A0A3Q0KM32_SCHMA Loading...

Nephrin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KM32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,098 aa.

						>A0A3Q0KM32_SCHMA|A0A3Q0KM32
MCLILRFCKRIWIVRSDDNEVYSIESIIPRCLNHLILFALVLSTPLSIQSTKNIHKRQLYSDTLNLFTGNISKLPPVGLPTIVNWRTNLSLDFFSMSKSKFNRTKPIQTITSNLNVYPHMVMDVNKSNNDAGGLISQRISSLPKSSSAFVDQSGPCTPEEEAKKSQCLRELPAERYEVLEGETVLMRCRVANQRGKAQWRARNFLLGYKRNIPDWPRYSLQGDSGQGVHDLLIQNVSREDAGVYECQVSPVAGQNPLRRQTLLVILVKPKIPTIVTLPGVPQPSTNGQLIVAFDSNKTNPMNNNPLKLICQAKGGYPTPKFEWFHNGNLISASEDLDELQDINEEIHSQKITKDQFELEIDKTKLSTRDRIVCLVSNKATMRSNHLYEQKLRAEVMIVIHSLPGDPEIIDWDKFINESTSLLVGSTFEVTCRVTPPGNPPGQVVWRFENPYSSMNLDQLTAFGTDLKMPSIKNVISISNENVINQITDEKILSRLKITNLNSTMHGLDLVCAVRHQVGPEKTTKKRILIQHGPQHVNIQGPYERMIELKQKVTVYNKLERTDNKSTVTTVINKQKLYIYLDRPQYLLCVTDEYYGQVEIKWRGKLHNSENWEVITPVESFPCNEPDALHNFNIIQASIIQLVTTNQKRNALLWTEIECSALPSYFREENRKVISNQVNLEMYTIPRIPIITGYKEGTLLADGTILTLHCTGEQGNPPGKLVWTQVLKGTNESELIDESNIIQQNQSNKYPDGMIYSILNINLTKSYDGAIFRCGTVNPGYGYSDTQFSLPVEIGVSYSATVLNISVISGTGQMITRSKLRDELQIILSYYKSKYNVGHIPIVQAKSGHSLKLMCQVEMSNPKPELEWQLNHCPPVQLASFVRGINDTINDMKSNDPYDAFFKSCQTIHLTGSKMEETISDSGKLHILNSHLELPINITHDGDLLECLIRKYPVENINSSVHLQPYDNYELSKPYYQNTHSQALTLLNSHILLSIQFPPIFLTLTKQLNWPVELNSPNNNEQFLPHYIVVEGGSLDLDLEPISNPSLSKTSWFRNGIPLPLSINPIKTFNSFKNEEEMNESSKSYSIEDLNQRLIVKPTKIFIHPVKRSDMANYTLIATNTLGSKEFTFFLNVTYGPQLLGSPSVNLTVSGKKAELFCQSEANPAPTTNAVRWRRLTNTLVGYDSAENIYRNSISRSSFSTKSHTSQADSAAGIHCDKGEWNVGFKYYAKCWSSAPGVMTSTLTIYDLSPNDVGRYQCNMDNGIGSPAVRTIDLTYPFAPRIVPVTRWSRAAPNIVSNKNNTISVTQSTVISDQLVSIVKGAHARLTCVIAAEPNPEVHWLREPANLTLIEGGQFHSIVKSIRPGLYHAILYLIQPQEVDMGRYFCKAKNLVGEDTGRVDLIRPTQPDLPSSPRLLNATSTSLTVSWTQGFNGGPEQSFLLHWHPNEDPDHHDKVNIKEDLDNEVLTYSITGLQKATTYRVSVSAYNTLTSTTSFTPYLLASTSAFDSLSGEEAMRDEAKAKSLKNIQRGHWDSRWRLNSKNSENSINPDPQRRSVRSGHELNSLDDNAFVIIIAVSVFGSFILIANLLVVLLFTRYKRQKMKQDERKPSAAGDLIQIYPVENGFSEIHTNTQNSFPIYPDDMRLNASYMLQSAPNDQFSPFQNGWEQIPFNICPDQNSPIIRGNQIFSSSPHSSMNAMNMQNFNSPNHIEFTNRPSSDISIQPSSVLINNADQTAVAYLNQDNGTVEAIQNIQNYHDCSEFMHPVFPNSCSPLNCDTENNLRNIELPTPTHRRLVNIGRTLTEKSNRTRSPHSGAASSVSTIRSNGQGNNNSLERSLSTFQRSHHSNLLGDYRHLGGGLTLPNGGLGLNIISQSPQQNGQLFISNTRTSGNWIQNGMTTSFHGGNAPSWKHYVNPHGSDEYTASGQQIARNSYNSFGQQSVSHLTNSFELPDGHILNSRQYAHTNKGSEVSPSRYYQESPARYMAQLENNWPQSSQNNNDCRNMSIEFPSNGSTIPPPNDFQTTGSHIPYIQVNSSTPTVNRPYYHITDENKNIINQDNPGADHLQAMDQRLGIPRNVSDNMITHQNHGNYSSYGCVL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	22.7	Very low	26.7	Very low	107 Å²	107	128.6 Å²	128.6	53%	0.527	61%	0.612	S	S	.	*				0	87.6	0	-130.4	-62	175.4	0	0	111.2	K1152 Y1245	M1-K1152 HydrophobicContact CB-CB 4.33Å; M1-K1152 HydrophobicContact CB-CG 4.44Å; M1-K1152 WeakPolarHBondContact O-CE 3.48Å; M1-Y1245 HydrophobicContact CB-CD1 3.56Å; M1-Y1245 HydrophobicContact CB-CE1 4.4Å; M1-Y1245 HydrophobicContact CB-CG 4.28Å; M1-Y1245 VanDerWaalsContact O-CD1 3.26Å; M1-Y1245 WeakPolarHBondContact O-CD1 3.46Å; M1-Y1245 WeakPolarHBondContact O-CE1 3.25Å
2	C	29.1	Very low	26.6	Very low	60 Å²	60	127.5 Å²	127.5	41%	0.405	60%	0.597	S	S	.	*			trans	66.8	128.9	-168.9	-52.3	0	0	0	0	114.3	I4 Y1245	C2-I4 HydrophobicContact CB-CB 4.32Å; C2-Y1245 VanDerWaalsContact O-CE1 3.26Å; C2-Y1245 WeakPolarHBondContact O-CE1 3.22Å; C2-Y1245 PolarHBondContact O-OH 2.75Å; C2-Y1245 VanDerWaalsContact O-OH 3.12Å
3	L	26.8	Very low	26.4	Very low	139 Å²	139	124.6 Å²	124.6	73%	0.728	59%	0.587	S	S	*	*			cis	55.8	52.2	10.2	-143.6	179.5	0	0	0	113
4	I	28.6	Very low	26.2	Very low	90 Å²	90	121.9 Å²	121.9	46%	0.462	58%	0.582	S	S	.	*			trans	177.5	136.9	159.3	-96.1	151.8	0	0	0	108	C2 P278	C2-I4 HydrophobicContact CB-CB 4.32Å; I4-P278 HydrophobicContact CG1-CB 4.32Å
5	L	28.6	Very low	26.1	Very low	143 Å²	143	125.4 Å²	125.4	75%	0.749	59%	0.587	S	S	*	*	S	Bend	trans	60.2	78.8	169.7	-69.6	166.1	0	0	0	120
6	R	24.2	Very low	26.2	Very low	136 Å²	136	121.2 Å²	121.2	51%	0.513	58%	0.576	S	S	.	*				-179.5	54.8	125.9	-90	-146.6	-179.4	-166.4	-0.1	108.6	K1229	R6-K1229 PolarHBondContact O-NZ 3.38Å; R6-K1229 VanDerWaalsContact O-NZ 3.07Å
7	F	27.9	Very low	26.2	Very low	195 Å²	195	118.9 Å²	118.9	86%	0.855	57%	0.568	S	S	*	*	S	Bend		-39.4	134	79.8	-97.9	-88.4	0	0	0	118
8	C	30.3	Very low	26.4	Very low	89 Å²	89	118.1 Å²	118.1	60%	0.601	57%	0.568	S	S	*	*			trans	68	125.1	-166.2	-61.2	0	0	0	0	113
9	K	25.6	Very low	26.5	Very low	142 Å²	142	118.1 Å²	118.1	62%	0.617	57%	0.571	S	S	*	*			cis	-154.8	126.2	1.4	-127.5	166.9	149.5	-162.2	0	109.6	I11	K9-I11 HydrophobicContact CB-CD1 4.25Å; K9-I11 HydrophobicContact CB-CG1 3.99Å; K9-I11 HydrophobicContact CD-CD1 3.6Å; K9-I11 HydrophobicContact CD-CG1 3.46Å; K9-I11 VanDerWaalsContact CD-CG1 3.46Å; K9-I11 HydrophobicContact CG-CD1 4.24Å; K9-I11 HydrophobicContact CG-CG1 3.71Å; K9-I11 PolarHBondContact O-N 2.86Å
10	R	24.3	Very low	26.6	Very low	247 Å²	247	119.6 Å²	119.6	93%	0.932	58%	0.577	S	S	*	*			trans	-74.7	101	137.9	-93.6	-175.2	172.2	173.6	-3	104.9
11	I	25.3	Very low	26.6	Very low	67 Å²	67	119.2 Å²	119.2	34%	0.344	58%	0.582	S	S	.	*			trans	-87.3	-166.8	146.4	-60.1	151.3	0	0	0	105.1	K9 D1640	K9-I11 HydrophobicContact CB-CD1 4.25Å; K9-I11 HydrophobicContact CB-CG1 3.99Å; K9-I11 HydrophobicContact CD-CD1 3.6Å; K9-I11 HydrophobicContact CD-CG1 3.46Å; K9-I11 VanDerWaalsContact CD-CG1 3.46Å; K9-I11 HydrophobicContact CG-CD1 4.24Å; K9-I11 HydrophobicContact CG-CG1 3.71Å; K9-I11 PolarHBondContact O-N 2.86Å; I11-D1640 VanDerWaalsContact CG2-OD2 3.23Å; I11-D1640 WeakPolarHBondContact CG2-OD2 3.45Å
12	W	26.3	Very low	26.8	Very low	115 Å²	115	123.4 Å²	123.4	44%	0.436	59%	0.593	S	S	.	*			trans	97.9	65.4	157.8	-59.3	80.9	0	0	0	113.8	I1637 Y1638 D1640	W12-I1637 HydrophobicContact CH2-CG1 4.3Å; W12-Y1638 HydrophobicContact CB-CD1 3.42Å; W12-Y1638 VanDerWaalsContact CB-CD1 3.42Å; W12-Y1638 HydrophobicContact CB-CE1 3.64Å; W12-Y1638 HydrophobicContact CB-CG 4.44Å; W12-Y1638 AromaticContact CD2-CD1 3.83Å; W12-Y1638 HydrophobicContact CD2-CD1 3.83Å; W12-Y1638 AromaticContact CD2-CG 3.98Å; W12-Y1638 HydrophobicContact CD2-CG 3.98Å; W12-Y1638 AromaticContact CE3-CD1 3.38Å; W12-Y1638 HydrophobicContact CE3-CD1 3.38Å; W12-Y1638 AromaticContact CE3-CD2 3.72Å; W12-Y1638 HydrophobicContact CE3-CD2 3.72Å; W12-Y1638 HydrophobicContact CE3-CE1 4.17Å; W12-Y1638 HydrophobicContact CE3-CE2 4.41Å; W12-Y1638 AromaticContact CE3-CG 3.14Å; W12-Y1638 HydrophobicContact CE3-CG 3.14Å; W12-Y1638 AromaticContact CG-CD1 3.96Å; W12-Y1638 HydrophobicContact CG-CD1 3.96Å; W12-Y1638 HydrophobicContact CZ3-CD1 4.31Å; W12-Y1638 HydrophobicContact CZ3-CD2 4Å; W12-Y1638 AromaticContact CZ3-CG 3.63Å; W12-Y1638 HydrophobicContact CZ3-CG 3.63Å; W12-Y1638 WeakPolarHBondContact O-CE1 3.43Å; W12-D1640 PolarHBondContact N-OD1 3.18Å
13	I	23.1	Very low	26.5	Very low	90 Å²	90	124.5 Å²	124.5	46%	0.462	60%	0.602	S	S	.	*			trans	-80.7	148.2	134	-76.4	177.5	0	0	0	108.4	Y1638 P1639 D1640	I13-Y1638 WeakPolarHBondContact O-CB 3.17Å; I13-Y1638 WeakPolarHBondContact O-CD1 3.46Å; I13-P1639 CarbonylContact O-C 3.56Å; I13-P1639 VanDerWaalsContact O-C 3.23Å; I13-P1639 WeakPolarHBondContact O-CA 3.05Å; I13-D1640 PolarHBondContact N-OD1 3.03Å; I13-D1640 PolarHBondContact O-N 3.36Å
14	V	24.7	Very low	26.5	Very low	86 Å²	86	124.8 Å²	124.8	52%	0.521	60%	0.602	S	S	.	*			trans	-60	137.5	-175.2	179.6	0	0	0	0	111.4	Y1638 P1639	V14-Y1638 VanDerWaalsContact CA-CD1 3.46Å; V14-Y1638 HydrophobicContact CB-CD1 4.47Å; V14-Y1638 HydrophobicContact CB-CE1 4.46Å; V14-Y1638 HydrophobicContact CG2-CD1 4.28Å; V14-Y1638 HydrophobicContact CG2-CD2 4.49Å; V14-Y1638 HydrophobicContact CG2-CE1 3.78Å; V14-Y1638 HydrophobicContact CG2-CE2 4.05Å; V14-P1639 VanDerWaalsContact C-C 3.5Å; V14-P1639 CarbonylContact C-O 3.51Å; V14-P1639 CarbonylContact O-C 3.54Å; V14-P1639 VanDerWaalsContact O-O 3.04Å
15	R	23.9	Very low	26.3	Very low	175 Å²	175	128.7 Å²	128.7	66%	0.66	62%	0.619	S	S	*	*				-173.4	138.9	79.8	-158.3	-158.6	-151.2	100.2	2.3	117.7	I1637 Y1638 P1639	R15-I1637 CarbonylContact C-O 3.46Å; R15-Y1638 VanDerWaalsContact C-CA 3.42Å; R15-Y1638 CarbonylContact O-C 3.55Å; R15-P1639 PolarHBondContact N-O 2.76Å; R15-P1639 VanDerWaalsContact N-O 3.16Å; R15-P1639 WeakPolarHBondContact O-CD 3.4Å
16	S	27.2	Very low	26.2	Very low	58 Å²	58	124.7 Å²	124.7	41%	0.406	60%	0.603	S	S	.	*			trans	46.1	148.1	153	60.1	0	0	0	0	122.7	I1637	S16-I1637 VanDerWaalsContact CA-O 3.31Å; S16-I1637 WeakPolarHBondContact CA-O 3.44Å; S16-I1637 PolarHBondContact N-O 3.28Å
17	D	27.5	Very low	26.4	Very low	83 Å²	83	123.3 Å²	123.3	44%	0.444	60%	0.604	S	S	.	*			cis	-176.8	164	-17.6	-89.4	-35.7	0	0	0	107.7
18	D	29.3	Very low	26.8	Very low	104 Å²	104	117.2 Å²	117.2	56%	0.556	58%	0.58	S	S	*	*			trans	57.1	155.8	143.3	-74.5	16.7	0	0	0	122.2
19	N	29.1	Very low	26.9	Very low	118 Å²	118	117.4 Å²	117.4	63%	0.631	58%	0.58	S	S	*	*			cis	-164.4	-175.2	-22.5	-117.9	-40.1	0	0	0	110.4
20	E	28.4	Very low	27.4	Very low	147 Å²	147	120.8 Å²	120.8	69%	0.687	59%	0.589	S	S	*	*			trans	75.5	151.1	174	-56.5	-165.5	172.8	0	0	116.8
21	V	26.4	Very low	27.6	Very low	113 Å²	113	114.6 Å²	114.6	69%	0.685	58%	0.582	S	S	*	*			cis	159.4	160.8	-32.6	153.7	0	0	0	0	106.8
22	Y	25.7	Very low	27.9	Very low	194 Å²	194	116.6 Å²	116.6	76%	0.761	59%	0.593	S	S	*	*			trans	74.3	159.3	-170.7	-57.7	-81.4	0	0	0	116.1
23	S	24.2	Very low	28.4	Very low	84 Å²	84	116.3 Å²	116.3	59%	0.587	60%	0.6	S	S	*	*				-174	133.1	-64.4	50.6	0	0	0	0	111.4
24	I	26.1	Very low	29	Very low	145 Å²	145	119.9 Å²	119.9	74%	0.744	61%	0.614	S	S	*	*			trans	65.8	149.7	139.7	-65.3	170.6	0	0	0	118.8
25	E	24.6	Very low	29.6	Very low	172 Å²	172	121.9 Å²	121.9	80%	0.804	62%	0.622	S	S	*	*			trans	66	165.6	170.8	-77.8	157.5	-139.1	0	0	117.6
26	S	25.6	Very low	29.9	Very low	59 Å²	59	119.3 Å²	119.3	41%	0.413	62%	0.62	S	S	.	*			cis	-167.7	152.1	-40.1	61.6	0	0	0	0	110.8	Y1618 P1619	S26-Y1618 CarbonylContact C-O 3.57Å; S26-Y1618 WeakPolarHBondContact CA-O 3.35Å; S26-Y1618 PolarHBondContact N-O 2.73Å; S26-P1619 WeakPolarHBondContact O-CD 3.49Å
27	I	29.5	Very low	30.2	Very low	107 Å²	107	122.2 Å²	122.2	55%	0.549	63%	0.63	S	S	.	*			trans	108.7	135.9	168.7	-58.4	150.6	0	0	0	119.9	I1617 Y1618 P1619	I27-I1617 CarbonylContact C-O 3.52Å; I27-I1617 WeakPolarHBondContact CA-O 3.39Å; I27-I1617 PolarHBondContact N-O 3.21Å; I27-Y1618 PolarHBondContact N-O 2.79Å; I27-Y1618 CarbonylContact O-C 3.48Å; I27-Y1618 WeakPolarHBondContact O-CA 3.45Å; I27-Y1618 WeakPolarHBondContact O-CB 3.46Å; I27-P1619 WeakPolarHBondContact O-CB 3.43Å; I27-P1619 WeakPolarHBondContact O-CD 2.93Å; I27-P1619 WeakPolarHBondContact O-CG 3.37Å; I27-P1619 VanDerWaalsContact O-N 3.09Å
28	I	35.5	Very low	30.3	Very low	66 Å²	66	125.7 Å²	125.7	34%	0.338	64%	0.641	S	S	.	*			trans	-74.7	157.2	173.7	-39.9	158	0	0	0	109.1	Q1616 I1617	I28-Q1616 HydrophobicContact CD1-CB 3.68Å; I28-Q1616 HydrophobicContact CD1-CG 3.58Å; I28-Q1616 HydrophobicContact CG1-CB 4.3Å; I28-I1617 HydrophobicContact CD1-CB 4.4Å; I28-I1617 HydrophobicContact CG1-CB 3.63Å; I28-I1617 HydrophobicContact CG1-CG2 3.76Å; I28-I1617 PolarHBondContact N-O 3.35Å
29	P	33.6	Very low	30.8	Very low	93 Å²	93	125 Å²	125	60%	0.604	65%	0.65	S	S	*	*			cis	-139.3	-168.5	15.7	15	14.8	0	0	0	116
30	R	35.5	Very low	30.8	Very low	213 Å²	213	126.5 Å²	126.5	80%	0.804	66%	0.658	S	S	*	*				-18.9	129.1	128.7	-48.6	166.8	175.5	171.6	-4	113.8	L32	R30-L32 HydrophobicContact CB-CD1 3.75Å; R30-L32 HydrophobicContact CG-CD1 4.36Å
31	C	29	Very low	31.2	Very low	118 Å²	118	125.2 Å²	125.2	80%	0.797	66%	0.659	S	S	*	*				-131.3	116.5	99.4	-100	0	0	0	0	106.5
32	L	31.4	Very low	31.3	Very low	108 Å²	108	127.3 Å²	127.3	57%	0.565	67%	0.666	S	S	*	*				65.8	109.3	88.1	-89.7	66.9	0	0	0	109.9	R30	R30-L32 HydrophobicContact CB-CD1 3.75Å; R30-L32 HydrophobicContact CG-CD1 4.36Å
33	N	36.3	Very low	31.4	Very low	109 Å²	109	122.1 Å²	122.1	58%	0.583	66%	0.658	S	S	*	*				58.4	112.5	70.7	-60.2	-30.5	0	0	0	112.5	L35	N33-L35 HydrophobicContact CB-CB 3.76Å; N33-L35 HydrophobicContact CB-CD1 4.12Å
34	H	35.3	Very low	32	Very low	165 Å²	165	124.2 Å²	124.2	76%	0.764	67%	0.667	S	S	*	*				-125.2	116.6	128.8	-83.4	-51.3	0	0	0	106.6	I36	H34-I36 HydrophobicContact CB-CD1 3.89Å; H34-I36 HydrophobicContact CB-CG1 3.86Å; H34-I36 WeakPolarHBondContact ND1-CG1 3.37Å
35	L	37.3	Very low	32.4	Very low	129 Å²	129	122.4 Å²	122.4	68%	0.675	67%	0.665	S	S	*	*			cis	54.4	62.6	10.4	-144.7	179.6	0	0	0	112.7	N33	N33-L35 HydrophobicContact CB-CB 3.76Å; N33-L35 HydrophobicContact CB-CD1 4.12Å
36	I	30.6	Very low	32.5	Very low	120 Å²	120	121.1 Å²	121.1	62%	0.615	66%	0.663	S	S	*	*			trans	-134.2	115.6	162.6	-76.7	171.7	0	0	0	103.1	H34	H34-I36 HydrophobicContact CB-CD1 3.89Å; H34-I36 HydrophobicContact CB-CG1 3.86Å; H34-I36 WeakPolarHBondContact ND1-CG1 3.37Å
37	L	33.6	Very low	32.8	Very low	119 Å²	119	122.6 Å²	122.6	62%	0.623	67%	0.674	S	S	*	*	S	Bend	cis	-152.5	177.3	1	-85.1	162.6	0	0	0	106.7
38	F	28.5	Very low	32.7	Very low	156 Å²	156	124.7 Å²	124.7	68%	0.684	68%	0.684	S	S	*	*			cis	-148.9	153.2	2.9	-128.8	-51.6	0	0	0	107.8
39	A	39.8	Very low	32.5	Very low	90 Å²	90	130.2 Å²	130.2	74%	0.744	71%	0.709	S	S	*	*			trans	-82.7	128.6	149	0	0	0	0	0	108.4
40	L	29.9	Very low	32.9	Very low	150 Å²	150	130.1 Å²	130.1	79%	0.785	71%	0.71	S	S	*	*			trans	-135.6	138.6	165	-107.3	174.2	0	0	0	110.6
41	V	36.1	Very low	32.6	Very low	119 Å²	119	125.4 Å²	125.4	72%	0.721	71%	0.705	S	S	*	*			trans	-129.6	143.9	-175.4	160.4	0	0	0	0	106.1
42	L	29	Very low	32.8	Very low	157 Å²	157	128 Å²	128	82%	0.822	70%	0.703	S	S	*	*			trans	74.4	145.2	-172.5	-56.6	152.4	0	0	0	114
43	S	27.7	Very low	32.9	Very low	86 Å²	86	129.4 Å²	129.4	60%	0.601	71%	0.711	S	S	*	*			cis	-168.7	140.4	-13.4	44.5	0	0	0	0	113
44	T	37.2	Very low	32.7	Very low	127 Å²	127	130.8 Å²	130.8	78%	0.779	72%	0.717	S	S	*	*			trans	64.4	160.5	152.6	49.7	0	0	0	0	118.8
45	P	34.3	Very low	32.5	Very low	108 Å²	108	130.6 Å²	130.6	70%	0.701	72%	0.716	S	S	*	*			cis	-120.7	159.9	5.3	40.4	-27.6	0	0	0	116.6
46	L	27.5	Very low	32.1	Very low	144 Å²	144	132.8 Å²	132.8	75%	0.754	72%	0.72	S	S	*	*			trans	38	120.3	142.5	-80	66.8	0	0	0	118.7
47	S	31.9	Very low	32.2	Very low	91 Å²	91	137.6 Å²	137.6	64%	0.636	73%	0.731	S	S	*	*				48.8	127.9	85.7	82.2	0	0	0	0	113.4
48	I	27.3	Very low	32.3	Very low	151 Å²	151	139.2 Å²	139.2	77%	0.774	74%	0.735	S	S	*	*				-139.9	-177.6	56.7	-75.4	141	0	0	0	110.4
49	Q	29.8	Very low	32.9	Very low	181 Å²	181	139.1 Å²	139.1	85%	0.846	74%	0.741	S	S	*	*			trans	-39.3	146.3	157.6	-66.1	158.6	-55.4	0	0	110.6
50	S	42	Very low	32.4	Very low	92 Å²	92	146 Å²	146	64%	0.643	75%	0.75	S	S	*	*				-170.3	132.6	71.6	-174.2	0	0	0	0	112.8
51	T	30.6	Very low	32.8	Very low	114 Å²	114	143.1 Å²	143.1	70%	0.699	74%	0.741	S	S	*	*			trans	61.4	160.2	165.7	65.1	0	0	0	0	116.4
52	K	32.9	Very low	32.8	Very low	173 Å²	173	144 Å²	144	75%	0.752	74%	0.742	S	S	*	*				45.9	115.3	115.3	-61.9	173	-178.9	-179.3	0	118.5
53	N	32.7	Very low	33.2	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	74%	0.739	S	S	*	*				79.8	118.6	124	-62.1	4.2	0	0	0	123.6
54	I	32.6	Very low	33.8	Very low	138 Å²	138	145.3 Å²	145.3	71%	0.708	75%	0.747	S	S	*	*				87.9	123.9	128.4	-64	169.2	0	0	0	122.4
55	H	31.9	Very low	34	Very low	161 Å²	161	145.4 Å²	145.4	75%	0.745	74%	0.743	S	S	*	*			trans	83.1	128.3	149.3	-80.5	-27.3	0	0	0	127.5
56	K	28.8	Very low	34.3	Very low	176 Å²	176	146.6 Å²	146.6	77%	0.765	74%	0.743	S	S	*	*			trans	84	122	133.9	-71	173.1	-178.8	175.1	0	126.8
57	R	32.8	Very low	35	Very low	220 Å²	220	149.6 Å²	149.6	83%	0.83	75%	0.75	S	S	*	*			trans	57.8	124.2	137.4	-73.5	-173.1	174.6	-174.3	-0.3	127.7
58	Q	34.2	Very low	35.4	Very low	153 Å²	153	151.5 Å²	151.5	72%	0.715	76%	0.758	S	S	*	*			trans	66.8	117.4	132	-64.9	176.3	-91.9	0	0	127.6
59	L	41.9	Very low	35.7	Very low	155 Å²	155	148.2 Å²	148.2	81%	0.812	76%	0.762	S	S	*	*			trans	58.5	121.7	137.4	-75.4	161.4	0	0	0	126.8
60	Y	29.9	Very low	36	Very low	235 Å²	235	147 Å²	147	92%	0.922	76%	0.761	S	S	*	*			trans	172.5	-166.9	135.2	-109	-81.4	0	0	0	114.5
61	S	38.1	Very low	35.5	Very low	88 Å²	88	150.4 Å²	150.4	62%	0.615	77%	0.77	S	S	*	*			trans	-144.8	170.9	-158.1	64.7	0	0	0	0	122.1
62	D	35.2	Very low	35.6	Very low	137 Å²	137	149 Å²	149	73%	0.733	77%	0.765	S	S	*	*			trans	95.1	124.6	144.8	-68.3	-53.2	0	0	0	129.8
63	T	38.7	Very low	35.3	Very low	124 Å²	124	150.6 Å²	150.6	76%	0.761	77%	0.772	S	S	*	*			trans	87.3	133.7	136.9	55.3	0	0	0	0	130.7
64	L	40.2	Very low	35.8	Very low	147 Å²	147	151.8 Å²	151.8	77%	0.77	78%	0.777	S	S	*	*			trans	93.2	120.4	134.6	-108.5	78.6	0	0	0	129.8
65	N	40.2	Very low	36.6	Very low	130 Å²	130	150.9 Å²	150.9	70%	0.695	78%	0.781	S	S	*	*				73.2	127.3	129.9	-86.7	-0.4	0	0	0	131.1
66	L	40.9	Very low	37	Very low	133 Å²	133	148.5 Å²	148.5	70%	0.696	78%	0.779	S	S	*	*			trans	81.6	129.1	132.2	-85.4	167.1	0	0	0	127.2	T68	L66-T68 HydrophobicContact CD2-CG2 4.23Å
67	F	41.7	Very low	37.1	Very low	207 Å²	207	147.2 Å²	147.2	91%	0.908	79%	0.786	S	S	*	*			trans	-159	163.8	146	-117.8	-82.5	0	0	0	110.3
68	T	40.3	Very low	36.9	Very low	130 Å²	130	140.1 Å²	140.1	80%	0.798	78%	0.782	S	S	*	*			trans	-138.8	156.6	-167.3	56.2	0	0	0	0	116.1	L66	L66-T68 HydrophobicContact CD2-CG2 4.23Å
69	G	35	Very low	36.9	Very low	83 Å²	83	141 Å²	141	86%	0.856	79%	0.79	S	S	*	*			trans	176.6	156.8	176.7	0	0	0	0	0	114
70	N	36.5	Very low	36.6	Very low	155 Å²	155	138.5 Å²	138.5	83%	0.829	78%	0.784	S	S	*	*			trans	-143.1	155.7	-161.7	-158.5	-5.5	0	0	0	114.1
71	I	30.7	Very low	36.5	Very low	163 Å²	163	132.9 Å²	132.9	84%	0.836	77%	0.774	S	S	*	*			trans	156.9	149.2	157.5	-88	157.2	0	0	0	111.7
72	S	32.7	Very low	36	Very low	85 Å²	85	135.9 Å²	135.9	59%	0.594	78%	0.781	S	S	*	*				-170.7	136.1	-72.2	52.7	0	0	0	0	112.8
73	K	27.4	Very low	35.7	Very low	206 Å²	206	135.9 Å²	135.9	90%	0.896	79%	0.786	S	S	*	*			trans	173.2	144.4	138.5	-97.6	173.8	-178.4	-178.2	0	113.3
74	L	43	Very low	35.4	Very low	161 Å²	161	137 Å²	137	84%	0.843	79%	0.787	S	S	*	*			trans	-122.8	-156.9	-175	-58.3	88.3	0	0	0	108.6
75	P	49.1	Very low	34.8	Very low	120 Å²	120	140.5 Å²	140.5	78%	0.779	79%	0.79	S	S	*	*			cis	-137.6	-133.6	1.7	32.4	-2.6	0	0	0	115.1
76	P	40.2	Very low	34.3	Very low	110 Å²	110	142.9 Å²	142.9	71%	0.714	79%	0.789	S	S	*	*				-137.1	-175.9	-95.5	46.3	-29.1	0	0	0	118.7
77	V	29.6	Very low	33.9	Very low	149 Å²	149	140.9 Å²	140.9	90%	0.903	78%	0.783	S	S	*	*			trans	72.8	132.2	159.4	-178.3	0	0	0	0	120.6
78	G	30.2	Very low	33.3	Very low	72 Å²	72	135.8 Å²	135.8	74%	0.742	77%	0.765	S	S	*	*			trans	164.1	155.2	162.2	0	0	0	0	0	118.2
79	L	32.7	Very low	32.7	Very low	170 Å²	170	136.1 Å²	136.1	89%	0.89	76%	0.761	S	S	*	*			trans	-129.5	175.5	172.8	-82.9	96	0	0	0	109.1
80	P	37.2	Very low	32.4	Very low	104 Å²	104	136.2 Å²	136.2	68%	0.675	75%	0.749	S	S	*	*			cis	-136.4	-171.9	-27.6	34.7	-13.3	0	0	0	115.3
81	T	26.9	Very low	32	Very low	116 Å²	116	136.8 Å²	136.8	71%	0.712	75%	0.751	S	S	*	*			trans	71.5	122.3	150.4	41.8	0	0	0	0	125.2
82	I	27.9	Very low	31.9	Very low	152 Å²	152	132.9 Å²	132.9	78%	0.779	73%	0.732	S	S	*	*				91.8	131.9	129.8	-70.9	172.8	0	0	0	122.9
83	V	28.1	Very low	31.6	Very low	136 Å²	136	137.5 Å²	137.5	82%	0.824	74%	0.742	S	S	*	*			trans	71.8	138.5	169.6	173.1	0	0	0	0	119.3
84	N	32.7	Very low	31.6	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	73%	0.734	S	S	*	*			trans	-86.1	150.7	-169.5	-58.6	-24.3	0	0	0	114.5
85	W	26.8	Very low	31.3	Very low	221 Å²	221	132.8 Å²	132.8	84%	0.837	73%	0.727	S	S	*	*			trans	-166.5	126.9	131.8	-117.6	61.3	0	0	0	108.5
86	R	29.7	Very low	30.3	Very low	179 Å²	179	135.3 Å²	135.3	68%	0.675	73%	0.731	S	S	*	*			trans	60.8	124.8	179.2	-64.5	-173.7	175.3	-169.3	-3.6	119	S112 N113	R86-S112 CarbonylContact C-O 3.58Å; R86-S112 VanDerWaalsContact C-O 3.23Å; R86-N113 CarbonylContact C-O 3.52Å; R86-N113 WeakPolarHBondContact CA-O 3.1Å; R86-N113 VanDerWaalsContact CB-O 3.31Å; R86-N113 WeakPolarHBondContact CB-O 3.44Å
87	T	33.2	Very low	29.8	Very low	92 Å²	92	134 Å²	134	56%	0.564	72%	0.724	S	S	*	*			trans	-162	163.4	170.4	60.6	0	0	0	0	110.3	S112 N113 L114	T87-S112 CarbonylContact C-O 3.52Å; T87-S112 WeakPolarHBondContact CA-O 3.31Å; T87-S112 PolarHBondContact N-O 3.26Å; T87-N113 PolarHBondContact N-O 2.68Å; T87-N113 CarbonylContact O-C 3.47Å; T87-N113 VanDerWaalsContact O-CB 3.28Å; T87-N113 WeakPolarHBondContact O-CB 3.36Å; T87-N113 VanDerWaalsContact O-O 3.12Å; T87-L114 WeakPolarHBondContact O-CB 3.29Å; T87-L114 PolarHBondContact O-N 2.86Å
88	N	28.4	Very low	29.8	Very low	100 Å²	100	136.7 Å²	136.7	54%	0.535	72%	0.724	S	S	.	*			cis	-136.5	176.1	-49.2	-167.8	-10	0	0	0	109	S112 N113	N88-S112 VanDerWaalsContact CA-OG 3.28Å; N88-S112 WeakPolarHBondContact CA-OG 3.37Å; N88-S112 PolarHBondContact OD1-OG 3.12Å; N88-S112 VanDerWaalsContact OD1-OG 3.06Å; N88-N113 WeakPolarHBondContact O-CB 3.35Å; N88-N113 PolarHBondContact O-ND2 2.66Å
89	L	29	Very low	29.8	Very low	136 Å²	136	138.7 Å²	138.7	71%	0.712	73%	0.726	S	S	*	*			trans	101.2	117.5	163.9	-62.5	144.5	0	0	0	120.3	N113	L89-N113 PolarHBondContact O-ND2 3.04Å
90	S	29.3	Very low	29.8	Very low	85 Å²	85	139.6 Å²	139.6	59%	0.594	72%	0.723	S	S	*	*			trans	-107.1	174.1	167.3	61.3	0	0	0	0	111.4	D92	S90-D92 WeakPolarHBondContact CB-OD2 3.46Å; S90-D92 PolarHBondContact OG-OD2 3.37Å
91	L	26.6	Very low	29.5	Very low	167 Å²	167	143.1 Å²	143.1	87%	0.874	73%	0.728	S	S	*	*			trans	-170	143.8	146.9	-107.2	160.9	0	0	0	110.2
92	D	29.5	Very low	29.6	Very low	81 Å²	81	142.3 Å²	142.3	43%	0.433	72%	0.719	S	S	.	*				-141.1	169.9	-89.2	-100.4	-70.9	0	0	0	106.7	S90 F94	S90-D92 WeakPolarHBondContact CB-OD2 3.46Å; S90-D92 PolarHBondContact OG-OD2 3.37Å; D92-F94 HydrophobicContact CB-CD2 4.48Å; D92-F94 WeakPolarHBondContact OD1-CD2 3.31Å
93	F	26.6	Very low	29.8	Very low	183 Å²	183	145.7 Å²	145.7	80%	0.803	72%	0.722	S	S	*	*				-162.9	145.1	64.6	-91.3	-105.4	0	0	0	108.4
94	F	26.1	Very low	29.9	Very low	168 Å²	168	144.9 Å²	144.9	74%	0.737	72%	0.718	S	S	*	*				79.4	141.3	55	-92	-88.8	0	0	0	116.6	D92	D92-F94 HydrophobicContact CB-CD2 4.48Å; D92-F94 WeakPolarHBondContact OD1-CD2 3.31Å
95	S	37.9	Very low	29.5	Very low	100 Å²	100	146.4 Å²	146.4	70%	0.699	72%	0.717	S	S	*	*				174.6	146.2	-61.2	172.4	0	0	0	0	113.1
96	M	27.3	Very low	29.5	Very low	172 Å²	172	142.1 Å²	142.1	85%	0.847	72%	0.718	S	S	*	*			trans	-153	160.6	159.6	-72.5	-175.8	70.5	0	0	109.1
97	S	30.8	Very low	29.5	Very low	82 Å²	82	140.2 Å²	140.2	57%	0.573	72%	0.72	S	S	*	*			cis	-178	151.9	-29.5	62.6	0	0	0	0	108.6
98	K	29	Very low	28.9	Very low	207 Å²	207	143.9 Å²	143.9	90%	0.9	73%	0.731	S	S	*	*			cis	-160.3	-179.7	-6.7	-111.4	165.1	-171.3	170.8	0	109.2
99	S	31.1	Very low	28.9	Very low	113 Å²	113	145.3 Å²	145.3	79%	0.79	74%	0.743	S	S	*	*			trans	-130.6	152.8	-154.4	53.5	0	0	0	0	117.4
100	K	31.3	Very low	28.9	Very low	189 Å²	189	147 Å²	147	82%	0.822	75%	0.751	S	S	*	*			trans	-149.4	121	176.2	-93.5	-172.4	174.6	176.4	0	118.6
101	F	30.5	Very low	28.8	Very low	179 Å²	179	148.8 Å²	148.8	79%	0.785	76%	0.758	S	S	*	*				66.7	145.9	129.2	-82.4	-126.9	0	0	0	122.2
102	N	30.8	Very low	28.8	Very low	99 Å²	99	142.2 Å²	142.2	53%	0.529	73%	0.727	S	S	.	*			cis	-172.2	166.1	-20.5	-153.6	-16.6	0	0	0	112.5
103	R	30.8	Very low	28.8	Very low	222 Å²	222	142.2 Å²	142.2	84%	0.838	73%	0.727	S	S	*	*			trans	74.9	144.7	166.5	-60.3	177.2	174.9	172.3	-2.6	118
104	T	30.7	Very low	28.8	Very low	119 Å²	119	138.3 Å²	138.3	73%	0.73	71%	0.714	S	S	*	*			cis	180	148.3	-25.3	32.5	0	0	0	0	106.5
105	K	24.9	Very low	28.7	Very low	180 Å²	180	136.5 Å²	136.5	78%	0.783	71%	0.712	S	S	*	*	S	Bend	cis	-143.9	174.8	1.6	-34.3	166.3	-173.8	173.9	0	108
106	P	25.9	Very low	28.1	Very low	131 Å²	131	137.4 Å²	137.4	85%	0.851	71%	0.713	S	S	*	*	S	Bend	cis	-99.3	103	-23.8	33	-21.3	0	0	0	108.7
107	I	28.9	Very low	28.4	Very low	140 Å²	140	139.2 Å²	139.2	72%	0.718	71%	0.712	S	S	*	*			trans	-135.1	105.6	-172.9	-58.6	173.3	0	0	0	108
108	Q	22.4	Very low	28.5	Very low	169 Å²	169	140.7 Å²	140.7	79%	0.79	72%	0.719	S	S	*	*			trans	-171.7	117.4	161	-102.2	145.4	30.5	0	0	106.8
109	T	28.3	Very low	28.7	Very low	130 Å²	130	139 Å²	139	80%	0.798	71%	0.714	S	S	*	*				76.5	82.7	56.3	-52	0	0	0	0	112.6
110	I	28.7	Very low	28.5	Very low	172 Å²	172	142.3 Å²	142.3	88%	0.882	72%	0.719	S	S	*	*			trans	-143.4	154	151.8	-99.8	157.2	0	0	0	107.4
111	T	26.5	Very low	28.5	Very low	121 Å²	121	139 Å²	139	74%	0.742	71%	0.714	S	S	*	*			trans	-82.5	168.5	-168.3	43.4	0	0	0	0	115
112	S	26.7	Very low	28.6	Very low	30 Å²	30	138.1 Å²	138.1	21%	0.21	72%	0.715	C	S	.	*			trans	107.7	122.9	138.4	72.1	0	0	0	0	120	R86 T87 N88	R86-S112 CarbonylContact C-O 3.58Å; R86-S112 VanDerWaalsContact C-O 3.23Å; T87-S112 CarbonylContact C-O 3.52Å; T87-S112 WeakPolarHBondContact CA-O 3.31Å; T87-S112 PolarHBondContact N-O 3.26Å; N88-S112 VanDerWaalsContact CA-OG 3.28Å; N88-S112 WeakPolarHBondContact CA-OG 3.37Å; N88-S112 PolarHBondContact OD1-OG 3.12Å; N88-S112 VanDerWaalsContact OD1-OG 3.06Å
113	N	28.8	Very low	28.9	Very low	81 Å²	81	139.4 Å²	139.4	43%	0.433	72%	0.722	S	S	.	*			trans	48.1	174	153.6	-59.7	13.4	0	0	0	122.7	R86 T87 N88 L89	R86-N113 CarbonylContact C-O 3.52Å; R86-N113 WeakPolarHBondContact CA-O 3.1Å; R86-N113 VanDerWaalsContact CB-O 3.31Å; R86-N113 WeakPolarHBondContact CB-O 3.44Å; T87-N113 PolarHBondContact N-O 2.68Å; T87-N113 CarbonylContact O-C 3.47Å; T87-N113 VanDerWaalsContact O-CB 3.28Å; T87-N113 WeakPolarHBondContact O-CB 3.36Å; T87-N113 VanDerWaalsContact O-O 3.12Å; N88-N113 WeakPolarHBondContact O-CB 3.35Å; N88-N113 PolarHBondContact O-ND2 2.66Å; L89-N113 PolarHBondContact O-ND2 3.04Å
114	L	26.8	Very low	29.2	Very low	101 Å²	101	134.6 Å²	134.6	53%	0.529	72%	0.716	S	S	.	*			trans	49	125.1	174.2	-80	59.7	0	0	0	120.5	T87	T87-L114 WeakPolarHBondContact O-CB 3.29Å; T87-L114 PolarHBondContact O-N 2.86Å
115	N	25.3	Very low	29.2	Very low	130 Å²	130	132.8 Å²	132.8	70%	0.695	70%	0.702	S	S	*	*			trans	80.8	110.3	135	-60.7	2.5	0	0	0	120.9
116	V	24.2	Very low	29.4	Very low	119 Å²	119	131 Å²	131	72%	0.721	69%	0.694	S	S	*	*				59.8	127.2	120.2	-179.4	0	0	0	0	119.7
117	Y	34	Very low	29.4	Very low	210 Å²	210	126.7 Å²	126.7	82%	0.824	67%	0.668	S	S	*	*			trans	7.3	148.3	149	-71.5	-81.2	0	0	0	120.4
118	P	33.6	Very low	29.4	Very low	113 Å²	113	125.3 Å²	125.3	73%	0.734	66%	0.662	S	S	*	*				-154.1	-164.5	50	43.4	-20.8	0	0	0	118.5
119	H	33.4	Very low	29.6	Very low	171 Å²	171	123.4 Å²	123.4	79%	0.792	66%	0.657	S	S	*	*			trans	-58.1	165	-178.6	-54.9	-101.8	0	0	0	118.4
120	M	26.2	Very low	29.8	Very low	183 Å²	183	125.5 Å²	125.5	90%	0.901	66%	0.663	S	S	*	*				-163.8	168.5	123.1	-107.8	174.8	-152.6	0	0	110.9
121	V	31.4	Very low	30.1	Very low	118 Å²	118	121.2 Å²	121.2	72%	0.715	65%	0.654	S	S	*	*				-169	134.6	76	157.7	0	0	0	0	112.6
122	M	32.1	Very low	30.1	Very low	162 Å²	162	117.4 Å²	117.4	80%	0.798	64%	0.638	S	S	*	*			trans	63.5	139.6	162.1	-75.4	-171.5	-60	0	0	120.7
123	D	37.3	Very low	30.1	Very low	126 Å²	126	118.5 Å²	118.5	67%	0.674	65%	0.654	S	S	*	*			cis	-166.9	-170.9	-20.3	-144.5	-59.5	0	0	0	110.2	N125	D123-N125 PolarHBondContact OD1-ND2 3.17Å
124	V	37.3	Very low	30	Very low	120 Å²	120	119.5 Å²	119.5	73%	0.727	66%	0.659	S	S	*	*			trans	89	93.9	172	-168.6	0	0	0	0	114.1
125	N	29.4	Very low	30	Very low	81 Å²	81	121.5 Å²	121.5	43%	0.433	67%	0.669	S	S	.	*				70.5	140.8	70.2	-67.5	-67.5	0	0	0	113.2	D123	D123-N125 PolarHBondContact OD1-ND2 3.17Å
126	K	30.4	Very low	29.9	Very low	142 Å²	142	119.2 Å²	119.2	62%	0.617	66%	0.663	S	S	*	*			cis	-170.5	153.1	-8	-125.1	176.8	-174.7	109.1	0	113.2	G133 L134	K126-G133 VanDerWaalsContact C-C 3.49Å; K126-G133 CarbonylContact C-O 3.57Å; K126-G133 WeakPolarHBondContact CA-O 3.42Å; K126-G133 PolarHBondContact N-O 2.9Å; K126-L134 PolarHBondContact N-O 2.67Å; K126-L134 WeakPolarHBondContact O-CB 3.28Å
127	S	25.5	Very low	29.9	Very low	41 Å²	41	121 Å²	121	29%	0.287	66%	0.664	S	S	.	*			trans	86.8	147.3	157.4	80.9	0	0	0	0	118.8	G132 G133 L134	S127-G132 VanDerWaalsContact C-C 3.5Å; S127-G132 VanDerWaalsContact N-C 3.27Å; S127-G132 PolarHBondContact N-O 2.94Å; S127-G133 PolarHBondContact N-O 2.79Å; S127-G133 CarbonylContact O-C 2.95Å; S127-G133 WeakPolarHBondContact O-CA 3.32Å; S127-G133 PolarHBondContact O-N 2.7Å; S127-G133 VanDerWaalsContact O-N 3.11Å; S127-L134 WeakPolarHBondContact O-CB 2.89Å; S127-L134 WeakPolarHBondContact O-CD1 3.22Å; S127-L134 WeakPolarHBondContact O-CG 3.39Å; S127-L134 PolarHBondContact O-N 2.92Å
128	N	28.8	Very low	29.5	Very low	111 Å²	111	120.9 Å²	120.9	59%	0.594	66%	0.662	S	S	*	*			cis	-157.8	165.7	-20.8	-106	-12.1	0	0	0	109.7
129	N	27	Very low	29.1	Very low	130 Å²	130	122 Å²	122	70%	0.695	66%	0.66	S	S	*	*	S	Bend	trans	55.7	107.3	171.8	-52.5	-1.6	0	0	0	116.2
130	D	31.5	Very low	28.7	Very low	173 Å²	173	119.1 Å²	119.1	93%	0.925	66%	0.659	S	S	*	*	S	Bend	cis	-118.2	87.4	7.6	-66.5	-28.4	0	0	0	111.6
131	A	36	Very low	28.8	Very low	83 Å²	83	115.2 Å²	115.2	69%	0.686	65%	0.65	S	S	*	*	S	Bend	cis	-150.4	98.2	-6.1	0	0	0	0	0	113.2
132	G	27.3	Very low	28.7	Very low	40 Å²	40	115.5 Å²	115.5	41%	0.412	65%	0.647	S	S	.	*			trans	159.1	12.4	164	0	0	0	0	0	125.3	S127	S127-G132 VanDerWaalsContact C-C 3.5Å; S127-G132 VanDerWaalsContact N-C 3.27Å; S127-G132 PolarHBondContact N-O 2.94Å
133	G	26.8	Very low	28.5	Very low	53 Å²	53	114.1 Å²	114.1	55%	0.546	65%	0.65	S	S	.	*			trans	-64.2	-122.4	-165.1	0	0	0	0	0	123.4	K126 S127	K126-G133 VanDerWaalsContact C-C 3.49Å; K126-G133 CarbonylContact C-O 3.57Å; K126-G133 WeakPolarHBondContact CA-O 3.42Å; K126-G133 PolarHBondContact N-O 2.9Å; S127-G133 PolarHBondContact N-O 2.79Å; S127-G133 CarbonylContact O-C 2.95Å; S127-G133 WeakPolarHBondContact O-CA 3.32Å; S127-G133 PolarHBondContact O-N 2.7Å; S127-G133 VanDerWaalsContact O-N 3.11Å
134	L	26.3	Very low	28	Very low	103 Å²	103	116.4 Å²	116.4	54%	0.539	65%	0.654	S	S	.	*			trans	39.9	106.7	174.3	-62.8	170.5	0	0	0	124.2	K126 S127	K126-L134 PolarHBondContact N-O 2.67Å; K126-L134 WeakPolarHBondContact O-CB 3.28Å; S127-L134 WeakPolarHBondContact O-CB 2.89Å; S127-L134 WeakPolarHBondContact O-CD1 3.22Å; S127-L134 WeakPolarHBondContact O-CG 3.39Å; S127-L134 PolarHBondContact O-N 2.92Å
135	I	25.8	Very low	27.4	Very low	143 Å²	143	115.6 Å²	115.6	73%	0.733	65%	0.653	S	S	*	*				75.2	128.5	114.2	-70.9	-174.2	0	0	0	125
136	S	23.8	Very low	27.1	Very low	82 Å²	82	117.2 Å²	117.2	57%	0.573	67%	0.671	S	S	*	*			trans	100	110.5	138.9	175.7	0	0	0	0	124.8
137	Q	24.1	Very low	26.9	Very low	156 Å²	156	116.1 Å²	116.1	73%	0.729	68%	0.682	S	S	*	*			trans	56.1	138.1	135.5	-50	172.2	5.5	0	0	120.8
138	R	25.1	Very low	26.9	Very low	208 Å²	208	118.4 Å²	118.4	79%	0.785	70%	0.703	S	S	*	*				-178.4	134.5	72	-84.9	-173.7	179.1	-171.3	2.4	115.9
139	I	25.3	Very low	27.1	Very low	135 Å²	135	123.5 Å²	123.5	69%	0.692	72%	0.72	S	S	*	*				67.2	107.9	128.2	-56.5	171.8	0	0	0	122.4
140	S	24.5	Very low	27.9	Very low	111 Å²	111	119.6 Å²	119.6	78%	0.776	70%	0.701	S	S	*	*			trans	57.9	155.6	145.4	77.8	0	0	0	0	120.9
141	S	29.6	Very low	29.2	Very low	101 Å²	101	118.5 Å²	118.5	71%	0.706	70%	0.695	S	S	*	*			cis	-151.2	136.2	14	53	0	0	0	0	110.8
142	L	29.4	Very low	31.2	Very low	124 Å²	124	118.2 Å²	118.2	65%	0.649	68%	0.679	S	S	*	*				55.6	136.7	99.4	-109.7	78.3	0	0	0	116.6	K144	L142-K144 HydrophobicContact CD1-CG 4.14Å; L142-K144 HydrophobicContact CD2-CD 4.01Å; L142-K144 HydrophobicContact CD2-CG 3.92Å; L142-K144 HydrophobicContact CG-CG 3.94Å
143	P	27.9	Very low	33.9	Very low	133 Å²	133	117.3 Å²	117.3	86%	0.864	67%	0.666	S	S	*	*				-113.8	162.4	59.5	37.6	-36.1	0	0	0	116.4
144	K	25.6	Very low	36.5	Very low	174 Å²	174	116.7 Å²	116.7	76%	0.757	66%	0.66	S	S	*	*			trans	-98.1	143.6	174.7	-68.5	165.2	-178.7	172.3	0	110.6	L142	L142-K144 HydrophobicContact CD1-CG 4.14Å; L142-K144 HydrophobicContact CD2-CD 4.01Å; L142-K144 HydrophobicContact CD2-CG 3.92Å; L142-K144 HydrophobicContact CG-CG 3.94Å
145	S	24.9	Very low	39.5	Very low	103 Å²	103	115.6 Å²	115.6	72%	0.72	66%	0.659	S	S	*	*			trans	-123	63.3	157.6	59.1	0	0	0	0	111.7
146	S	23.4	Very low	42.4	Very low	116 Å²	116	110 Å²	110	81%	0.811	63%	0.633	S	S	*	*	S	Bend	trans	39.5	82.1	153.8	60.6	0	0	0	0	119.6
147	S	26.2	Very low	45.5	Very low	119 Å²	119	109.2 Å²	109.2	83%	0.832	62%	0.624	S	S	*	*				-135.6	147.7	125.3	66.5	0	0	0	0	108.5
148	A	26.5	Very low	48.4	Very low	88 Å²	88	106.9 Å²	106.9	73%	0.727	62%	0.623	S	S	*	*			trans	-79.7	128.9	-165	0	0	0	0	0	112.1	V150	A148-V150 PolarHBondContact O-N 3.3Å
149	F	32	Very low	51.2	Low	219 Å²	219	102.8 Å²	102.8	96%	0.961	61%	0.613	S	S	*	*			trans	-55.2	128.6	164.2	-114.1	-103.7	0	0	0	109.2
150	V	44.3	Very low	54	Low	48 Å²	48	99 Å²	99	29%	0.291	59%	0.592	S	S	.	*			trans	-106.4	106.8	-179.4	176.6	0	0	0	0	108.9	A148 Q152 R258	A148-V150 PolarHBondContact O-N 3.3Å; V150-Q152 PolarHBondContact O-N 3.35Å; V150-R258 HydrophobicContact CG1-CB 4.41Å; V150-R258 HydrophobicContact CG1-CG 4.47Å
151	D	57.4	Low	56.8	Low	149 Å²	149	98.6 Å²	98.6	80%	0.797	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-53.2	125	172.4	-97.4	-35.1	0	0	0	110.6
152	Q	78.3	Confident	59.3	Low	77 Å²	77	97.8 Å²	97.8	36%	0.36	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-100.1	120	176.5	-64.1	-65.7	-49.8	0	0	108.8	V150 E245 R258 R259	V150-Q152 PolarHBondContact O-N 3.35Å; Q152-E245 PolarHBondContact NE2-OE1 3.04Å; Q152-R258 CarbonylContact C-O 3.41Å; Q152-R259 VanDerWaalsContact OE1-CA 3.27Å
153	S	83.7	Confident	61.8	Low	21 Å²	21	98.4 Å²	98.4	15%	0.147	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-71.8	142.2	-178.8	-53.5	0	0	0	0	112.2	L257 R258	S153-L257 VanDerWaalsContact OG-CA 3.28Å; S153-L257 WeakPolarHBondContact OG-CA 3.35Å; S153-R258 WeakPolarHBondContact CB-O 3.1Å; S153-R258 PolarHBondContact N-O 2.6Å; S153-R258 PolarHBondContact OG-N 3.37Å; S153-R258 PolarHBondContact OG-O 2.93Å
154	G	83.3	Confident	64.4	Low	40 Å²	40	98.8 Å²	98.8	41%	0.412	56%	0.563	S	S	.	*			trans	-78.7	-176.3	165	0	0	0	0	0	112.6
155	P	87.7	Confident	67.1	Low	80 Å²	80	91.3 Å²	91.3	52%	0.519	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-71.1	163.3	167.1	34.4	-33.9	0	0	0	110.6	T157 L168 L171	P155-T157 PolarHBondContact O-N 3.41Å; P155-L168 CarbonylContact C-O 2.79Å; P155-L168 VanDerWaalsContact CA-O 3.28Å; P155-L168 WeakPolarHBondContact CA-O 3.02Å; P155-L171 HydrophobicContact CB-CD1 4.31Å; P155-L171 HydrophobicContact CB-CG 4.45Å
156	C	87.8	Confident	70.2	Confident	27 Å²	27	86.7 Å²	86.7	18%	0.182	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-48.9	127	175.7	-75.2	0	0	0	0	113.1	E161 C167 L168	C156-E161 HydrophobicContact CB-CG 4.2Å; C156-C167 VanDerWaalsContact CA-SG 3.59Å; C156-C167 HydrophobicContact CB-CB 3.89Å; C156-C167 WeakPolarHBondContact CB-SG 3.11Å; C156-C167 WeakPolarHBondContact SG-CB 3.23Å; C156-C167 CovalentContact SG-SG 2.04Å; C156-C167 PolarHBondContact SG-SG 3.22Å; C156-L168 PolarHBondContact N-O 2.83Å
157	T	88	Confident	73.4	Confident	64 Å²	64	81.2 Å²	81.2	39%	0.393	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-87.4	152.3	169.3	64.1	0	0	0	0	111.3	P155 E159 E160 E161	P155-T157 PolarHBondContact O-N 3.41Å; T157-E159 PolarHBondContact O-N 3.15Å; T157-E159 VanDerWaalsContact O-N 3.16Å; T157-E160 WeakPolarHBondContact CB-OE2 3.06Å; T157-E160 WeakPolarHBondContact CG2-OE2 3.15Å; T157-E160 PolarHBondContact N-OE2 2.87Å; T157-E160 PolarHBondContact O-N 2.79Å; T157-E160 VanDerWaalsContact OG1-CD 3.28Å; T157-E160 VanDerWaalsContact OG1-CG 3.26Å; T157-E160 WeakPolarHBondContact OG1-CG 3.05Å; T157-E160 PolarHBondContact OG1-N 2.83Å; T157-E160 PolarHBondContact OG1-OE2 2.93Å; T157-E161 PolarHBondContact O-N 3.08Å; T157-E161 VanDerWaalsContact O-N 3.15Å
158	P	85.3	Confident	76.4	Confident	107 Å²	107	75.7 Å²	75.7	70%	0.695	42%	0.422	S	S	*	.	H	α-helix	trans	-58.3	-28.5	175.9	-26.3	35.5	0	0	0	113.8	A162	P158-A162 VanDerWaalsContact O-CB 3.28Å; P158-A162 WeakPolarHBondContact O-CB 3.22Å; P158-A162 PolarHBondContact O-N 3.4Å
159	E	83	Confident	79.5	Confident	123 Å²	123	77.4 Å²	77.4	58%	0.575	41%	0.41	S	S	*	.	H	α-helix	trans	-67.2	-39.8	173.2	-77.8	-163.7	-137.9	0	0	112.6	T157 A162 K163	T157-E159 PolarHBondContact O-N 3.15Å; T157-E159 VanDerWaalsContact O-N 3.16Å; E159-A162 PolarHBondContact O-N 2.92Å; E159-K163 VanDerWaalsContact O-CB 3.25Å; E159-K163 WeakPolarHBondContact O-CB 3.19Å; E159-K163 WeakPolarHBondContact O-CD 3.13Å; E159-K163 WeakPolarHBondContact O-CG 3.16Å; E159-K163 PolarHBondContact O-N 2.9Å; E159-K163 WeakPolarHBondContact OE2-CE 3.08Å; E159-K163 IonicContact OE2-NZ 3.57Å; E159-K163 PolarHBondContact OE2-NZ 2.96Å
160	E	84	Confident	82.2	Confident	55 Å²	55	69.4 Å²	69.4	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-70	-39	179.2	-71.4	163.5	125.1	0	0	111.7	T157 K163 K164 S165 C167	T157-E160 WeakPolarHBondContact CB-OE2 3.06Å; T157-E160 WeakPolarHBondContact CG2-OE2 3.15Å; T157-E160 PolarHBondContact N-OE2 2.87Å; T157-E160 PolarHBondContact O-N 2.79Å; T157-E160 VanDerWaalsContact OG1-CD 3.28Å; T157-E160 VanDerWaalsContact OG1-CG 3.26Å; T157-E160 WeakPolarHBondContact OG1-CG 3.05Å; T157-E160 PolarHBondContact OG1-N 2.83Å; T157-E160 PolarHBondContact OG1-OE2 2.93Å; E160-K163 PolarHBondContact O-N 2.76Å; E160-K164 PolarHBondContact O-N 2.76Å; E160-S165 WeakPolarHBondContact CA-OG 3.38Å; E160-S165 VanDerWaalsContact CB-OG 3.3Å; E160-S165 WeakPolarHBondContact CB-OG 3.4Å; E160-S165 WeakPolarHBondContact CG-OG 3.43Å; E160-S165 PolarHBondContact O-N 3.49Å; E160-S165 PolarHBondContact O-OG 2.82Å; E160-C167 HydrophobicContact CB-CB 4.11Å
161	E	83.8	Confident	84.4	Confident	103 Å²	103	69.3 Å²	69.3	48%	0.481	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-45.8	173.4	-64.1	-166.4	141.1	0	0	111.3	C156 T157 K163 K164	C156-E161 HydrophobicContact CB-CG 4.2Å; T157-E161 PolarHBondContact O-N 3.08Å; T157-E161 VanDerWaalsContact O-N 3.15Å; E161-K163 PolarHBondContact O-N 3.42Å; E161-K164 PolarHBondContact O-N 2.82Å; E161-K164 VanDerWaalsContact O-N 3.15Å
162	A	83.5	Confident	86	Confident	84 Å²	84	62.3 Å²	62.3	69%	0.694	34%	0.336	S	S	*	.	H	α-helix	trans	-63.6	-38.8	176.3	0	0	0	0	0	113.1	P158 E159 K164	P158-A162 VanDerWaalsContact O-CB 3.28Å; P158-A162 WeakPolarHBondContact O-CB 3.22Å; P158-A162 PolarHBondContact O-N 3.4Å; E159-A162 PolarHBondContact O-N 2.92Å; A162-K164 PolarHBondContact O-N 2.88Å
163	K	80.6	Confident	86.6	Confident	137 Å²	137	60.8 Å²	60.8	60%	0.596	34%	0.337	S	S	*	.	H	α-helix	trans	-77	-6.5	176.2	-69.4	166	-169.4	170.4	0	113.4	E159 E160 E161 S165	E159-K163 VanDerWaalsContact O-CB 3.25Å; E159-K163 WeakPolarHBondContact O-CB 3.19Å; E159-K163 WeakPolarHBondContact O-CD 3.13Å; E159-K163 WeakPolarHBondContact O-CG 3.16Å; E159-K163 PolarHBondContact O-N 2.9Å; E159-K163 WeakPolarHBondContact OE2-CE 3.08Å; E159-K163 IonicContact OE2-NZ 3.57Å; E159-K163 PolarHBondContact OE2-NZ 2.96Å; E160-K163 PolarHBondContact O-N 2.76Å; E161-K163 PolarHBondContact O-N 3.42Å; K163-S165 PolarHBondContact O-N 2.85Å
164	K	82.7	Confident	86.9	Confident	141 Å²	141	66.6 Å²	66.6	61%	0.613	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	36.7	-170.9	-59.8	-174.5	178	-177.7	0	113	E160 E161 A162	E160-K164 PolarHBondContact O-N 2.76Å; E161-K164 PolarHBondContact O-N 2.82Å; E161-K164 VanDerWaalsContact O-N 3.15Å; A162-K164 PolarHBondContact O-N 2.88Å
165	S	82.5	Confident	87.2	Confident	17 Å²	17	71.6 Å²	71.6	12%	0.119	37%	0.368	C	S	.	.			trans	-86.6	151.8	172.3	49.2	0	0	0	0	111.4	E160 K163 N192	E160-S165 WeakPolarHBondContact CA-OG 3.38Å; E160-S165 VanDerWaalsContact CB-OG 3.3Å; E160-S165 WeakPolarHBondContact CB-OG 3.4Å; E160-S165 WeakPolarHBondContact CG-OG 3.43Å; E160-S165 PolarHBondContact O-N 3.49Å; E160-S165 PolarHBondContact O-OG 2.82Å; K163-S165 PolarHBondContact O-N 2.85Å; S165-N192 WeakPolarHBondContact O-CB 3.25Å; S165-N192 PolarHBondContact O-ND2 2.71Å
166	Q	90	Very high	87.4	Confident	5 Å²	5	69.6 Å²	69.6	2%	0.023	35%	0.35	C	S	.	.			trans	-69.9	131.1	-179.8	68.8	-176.5	6.8	0	0	110.8	V190 A191 R194 S249 Q254 N255 L257	Q166-V190 HydrophobicContact CB-CG1 4.49Å; Q166-A191 WeakPolarHBondContact CA-O 3.49Å; Q166-R194 VanDerWaalsContact OE1-N 3.13Å; Q166-S249 PolarHBondContact NE2-O 3.02Å; Q166-Q254 HydrophobicContact CG-CB 4.31Å; Q166-N255 PolarHBondContact NE2-O 2.57Å; Q166-L257 HydrophobicContact CB-CD1 4.37Å; Q166-L257 HydrophobicContact CG-CD1 4.18Å; Q166-L257 HydrophobicContact CG-CG 4.47Å
167	C	90.5	Very high	87.6	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.014	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	164.1	180	59	0	0	0	0	110.5	C156 E160 R169 V190 A191	C156-C167 VanDerWaalsContact CA-SG 3.59Å; C156-C167 HydrophobicContact CB-CB 3.89Å; C156-C167 WeakPolarHBondContact CB-SG 3.11Å; C156-C167 WeakPolarHBondContact SG-CB 3.23Å; C156-C167 CovalentContact SG-SG 2.04Å; C156-C167 PolarHBondContact SG-SG 3.22Å; E160-C167 HydrophobicContact CB-CB 4.11Å; C167-R169 PolarHBondContact O-N 2.76Å; C167-V190 CarbonylContact O-C 3.23Å; C167-V190 WeakPolarHBondContact O-CA 3.09Å; C167-A191 PolarHBondContact N-O 2.65Å; C167-A191 PolarHBondContact O-N 2.99Å
168	L	90.3	Very high	87.7	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	108.9	179.7	-63.1	178.3	0	0	0	110.5	P155 C156 L171 R189 V190 V248 L257 R259	P155-L168 CarbonylContact C-O 2.79Å; P155-L168 VanDerWaalsContact CA-O 3.28Å; P155-L168 WeakPolarHBondContact CA-O 3.02Å; C156-L168 PolarHBondContact N-O 2.83Å; L168-L171 HydrophobicContact CB-CD2 3.64Å; L168-L171 HydrophobicContact CD1-CD2 3.53Å; L168-L171 HydrophobicContact CG-CD2 4.23Å; L168-R189 CarbonylContact C-O 3.52Å; L168-R189 WeakPolarHBondContact CA-O 3.37Å; L168-V190 HydrophobicContact CD2-CG2 4.21Å; L168-V248 HydrophobicContact CD2-CG2 4.44Å; L168-L257 HydrophobicContact CD2-CB 4.19Å; L168-L257 HydrophobicContact CD2-CD1 4.03Å; L168-L257 HydrophobicContact CG-CB 4.19Å; L168-L257 HydrophobicContact CG-CD1 4.18Å; L168-R259 HydrophobicContact CD1-CB 3.73Å
169	R	90	Very high	88	Confident	124 Å²	124	64.3 Å²	64.3	47%	0.468	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-35.1	176.2	-169.5	-179.8	70.1	-154.6	-4.1	112.1	C167 R189 A191	C167-R169 PolarHBondContact O-N 2.76Å; R169-R189 PolarHBondContact N-O 3.24Å; R169-A191 HydrophobicContact CB-CB 4.22Å
170	E	90.2	Very high	88.3	Confident	52 Å²	52	62.6 Å²	62.6	24%	0.243	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	122.3	176.9	-162.1	174	162.5	0	0	108.9	R187 R189	E170-R187 WeakPolarHBondContact OE1-CD 2.97Å; E170-R187 IonicContact OE1-CZ 3.79Å; E170-R187 IonicContact OE1-NE 2.71Å; E170-R187 IonicContact OE1-NH1 3.79Å; E170-R187 PolarHBondContact OE1-NH1 3.24Å; E170-R189 HydrophobicContact CB-CB 3.88Å; E170-R189 HydrophobicContact CB-CG 4.05Å; E170-R189 PolarHBondContact N-O 2.99Å; E170-R189 PolarHBondContact O-N 2.71Å; E170-R189 VanDerWaalsContact O-N 3.08Å; E170-R189 IonicContact OE1-NH1 3.71Å; E170-R189 VanDerWaalsContact OE2-CD 3.28Å; E170-R189 WeakPolarHBondContact OE2-CD 3.34Å; E170-R189 IonicContact OE2-CZ 2.66Å; E170-R189 IonicContact OE2-NE 2.75Å; E170-R189 IonicContact OE2-NH1 2.74Å; E170-R189 PolarHBondContact OE2-NH1 3.35Å
171	L	90.5	Very high	88.4	Confident	45 Å²	45	62 Å²	62	24%	0.236	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-83.9	147.8	-178.5	-59.4	175.6	0	0	0	110.8	P155 L168 A173 R259	P155-L171 HydrophobicContact CB-CD1 4.31Å; P155-L171 HydrophobicContact CB-CG 4.45Å; L168-L171 HydrophobicContact CB-CD2 3.64Å; L168-L171 HydrophobicContact CD1-CD2 3.53Å; L168-L171 HydrophobicContact CG-CD2 4.23Å; L171-A173 PolarHBondContact O-N 2.04Å; L171-R259 HydrophobicContact CB-CG 4.32Å; L171-R259 HydrophobicContact CD2-CB 4.38Å; L171-R259 HydrophobicContact CD2-CG 3.99Å
172	P	91.1	Very high	88.7	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.019	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-48.9	135.9	155.4	-24	29.5	0	0	0	111.1	R187 C188 W199 C246 R259 T261	P172-R187 VanDerWaalsContact CA-O 3.25Å; P172-R187 WeakPolarHBondContact CA-O 3.45Å; P172-R187 VanDerWaalsContact CD-O 3.31Å; P172-R187 WeakPolarHBondContact CD-O 3.46Å; P172-R187 VanDerWaalsContact CG-O 3.24Å; P172-R187 WeakPolarHBondContact CG-O 3.36Å; P172-R187 VanDerWaalsContact N-O 3.16Å; P172-C188 HydrophobicContact CG-CB 4.41Å; P172-W199 HydrophobicContact CB-CH2 4.01Å; P172-W199 HydrophobicContact CG-CH2 3.66Å; P172-W199 HydrophobicContact CG-CZ2 4.33Å; P172-W199 HydrophobicContact CG-CZ3 4.23Å; P172-C246 HydrophobicContact CG-CB 4.07Å; P172-R259 HydrophobicContact CG-CB 4.36Å; P172-R259 HydrophobicContact CG-CG 4.19Å; P172-T261 HydrophobicContact CB-CG2 4.02Å
173	A	90.8	Very high	89.1	Confident	45 Å²	45	60.5 Å²	60.5	37%	0.372	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-64.6	155	171.1	0	0	0	0	0	110.3	L171 R175 Y176 T261	L171-A173 PolarHBondContact O-N 2.04Å; A173-R175 PolarHBondContact O-N 2.85Å; A173-Y176 HydrophobicContact CB-CE1 4.27Å; A173-Y176 HydrophobicContact CB-CE2 3.88Å; A173-Y176 PolarHBondContact N-OH 2.96Å; A173-T261 WeakPolarHBondContact O-CB 3.18Å; A173-T261 PolarHBondContact O-OG1 2.86Å
174	E	88.2	Confident	89.7	Confident	143 Å²	143	54.2 Å²	54.2	67%	0.668	27%	0.268	S	S	*	.	S	Bend	trans	-72	-32.8	-172.5	-57.4	-170.6	152.8	0	0	112.9	R259 L262	E174-R259 IonicContact OE1-NH2 3.64Å; E174-R259 PolarHBondContact OE1-NH2 3.13Å; E174-L262 PolarHBondContact O-N 3.39Å
175	R	90.8	Very high	90.3	Very high	145 Å²	145	50.5 Å²	50.5	55%	0.547	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.9	171.2	-177.2	-175.8	-79.2	-169	-1.6	111	A173 E177 L262 V264	A173-R175 PolarHBondContact O-N 2.85Å; R175-E177 HydrophobicContact CG-CG 4.26Å; R175-E177 IonicContact NH1-OE1 3.93Å; R175-L262 CarbonylContact C-O 3.59Å; R175-L262 VanDerWaalsContact CA-O 3.28Å; R175-L262 WeakPolarHBondContact CA-O 3.17Å; R175-V264 HydrophobicContact CG-CG2 3.82Å
176	Y	92.4	Very high	90.8	Very high	37 Å²	37	49.7 Å²	49.7	15%	0.145	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.8	166.5	-70.2	-90.3	0	0	0	109.7	A173 V184 M186 R187 T261 L262 V264	A173-Y176 HydrophobicContact CB-CE1 4.27Å; A173-Y176 HydrophobicContact CB-CE2 3.88Å; A173-Y176 PolarHBondContact N-OH 2.96Å; Y176-V184 HydrophobicContact CD1-CG2 4.14Å; Y176-V184 HydrophobicContact CG-CG2 4.36Å; Y176-M186 HydrophobicContact CD1-CG 4.23Å; Y176-M186 HydrophobicContact CD2-CB 4.47Å; Y176-M186 HydrophobicContact CD2-CG 3.7Å; Y176-M186 HydrophobicContact CD2-SD 3.96Å; Y176-M186 HydrophobicContact CE1-CG 4.23Å; Y176-M186 HydrophobicContact CE2-CB 3.95Å; Y176-M186 HydrophobicContact CE2-CG 3.69Å; Y176-M186 HydrophobicContact CE2-SD 4.3Å; Y176-M186 HydrophobicContact CG-CG 3.99Å; Y176-M186 HydrophobicContact CG-SD 4.5Å; Y176-R187 PolarHBondContact OH-N 3.03Å; Y176-T261 WeakPolarHBondContact CD2-OG1 3.41Å; Y176-T261 HydrophobicContact CE2-CG2 4.47Å; Y176-T261 WeakPolarHBondContact CE2-OG1 3.29Å; Y176-L262 PolarHBondContact N-O 2.96Å; Y176-V264 PolarHBondContact O-N 2.91Å
177	E	91.6	Very high	90.9	Very high	48 Å²	48	55 Å²	55	22%	0.224	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.8	178.5	-66.8	-172.9	173	0	0	111.3	R175 V264 L266 K378 R382	R175-E177 HydrophobicContact CG-CG 4.26Å; R175-E177 IonicContact NH1-OE1 3.93Å; E177-V264 WeakPolarHBondContact CA-O 3.41Å; E177-V264 HydrophobicContact CG-CB 4.3Å; E177-L266 HydrophobicContact CB-CD1 4.25Å; E177-K378 IonicContact OE1-NZ 3.66Å; E177-K378 PolarHBondContact OE1-NZ 3.37Å; E177-K378 WeakPolarHBondContact OE2-CE 3.48Å; E177-K378 IonicContact OE2-NZ 3.52Å; E177-K378 PolarHBondContact OE2-NZ 2.75Å; E177-R382 PolarHBondContact O-NH1 3.1Å; E177-R382 PolarHBondContact O-NH2 3.27Å
178	V	91	Very high	91	Very high	13 Å²	13	54.9 Å²	54.9	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.1	-170.6	176.2	0	0	0	0	110.4	E182 V184 V236 V264 I265 L266	V178-E182 HydrophobicContact CG1-CB 3.38Å; V178-V184 HydrophobicContact CG2-CB 3.83Å; V178-V184 HydrophobicContact CG2-CG2 3.72Å; V178-V236 HydrophobicContact CG1-CB 4.31Å; V178-V236 HydrophobicContact CG1-CG1 4.43Å; V178-V236 HydrophobicContact CG1-CG2 4.41Å; V178-V264 PolarHBondContact N-O 3.04Å; V178-V264 VanDerWaalsContact N-O 3.08Å; V178-I265 CarbonylContact O-C 3.43Å; V178-I265 WeakPolarHBondContact O-CA 3.41Å; V178-L266 PolarHBondContact O-N 2.85Å
179	L	90.2	Very high	91.2	Very high	26 Å²	26	57.6 Å²	57.6	14%	0.136	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	150.1	175.9	-67.2	171.8	0	0	0	111.2	G181 E182 L266 A379 R382	L179-G181 PolarHBondContact O-N 3.5Å; L179-E182 HydrophobicContact CB-CB 4.31Å; L179-E182 HydrophobicContact CB-CG 3.86Å; L179-E182 WeakPolarHBondContact CB-OE2 3.37Å; L179-E182 HydrophobicContact CD1-CG 4.45Å; L179-E182 PolarHBondContact N-OE2 3.06Å; L179-E182 WeakPolarHBondContact O-CB 3.35Å; L179-E182 PolarHBondContact O-N 2.8Å; L179-L266 WeakPolarHBondContact CA-O 3.46Å; L179-L266 HydrophobicContact CD2-CB 4.02Å; L179-A379 HydrophobicContact CD2-CB 3.71Å; L179-R382 HydrophobicContact CD1-CB 4.02Å; L179-R382 HydrophobicContact CD2-CB 4.32Å; L179-R382 HydrophobicContact CG-CB 4.45Å
180	E	89	Confident	91.3	Very high	87 Å²	87	51.8 Å²	51.8	41%	0.407	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	117.6	165.2	-173.7	160.4	-129.5	0	0	110	V236 R238 I265 L266 V267	E180-V236 CarbonylContact C-O 3.58Å; E180-V236 WeakPolarHBondContact CA-O 3.48Å; E180-R238 VanDerWaalsContact OE1-CD 3.29Å; E180-R238 WeakPolarHBondContact OE1-CD 3.25Å; E180-R238 VanDerWaalsContact OE1-CG 3.24Å; E180-R238 WeakPolarHBondContact OE1-CG 3.39Å; E180-R238 IonicContact OE1-NE 3.02Å; E180-R238 IonicContact OE2-NE 2.8Å; E180-I265 HydrophobicContact CB-CG2 4.09Å; E180-L266 PolarHBondContact N-O 2.76Å; E180-V267 HydrophobicContact CB-CG2 4.17Å; E180-V267 WeakPolarHBondContact OE2-CG1 3.48Å; E180-V267 WeakPolarHBondContact OE2-CG2 3.41Å
181	G	87.8	Confident	91.3	Very high	42 Å²	42	50 Å²	50	43%	0.433	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.5	-14.1	-173.4	0	0	0	0	0	116.1	L179 V236	L179-G181 PolarHBondContact O-N 3.5Å; G181-V236 PolarHBondContact N-O 3.47Å
182	E	89.8	Confident	91.2	Very high	79 Å²	79	50.9 Å²	50.9	37%	0.369	26%	0.256	S	S	.	.			trans	-76.8	179.7	176.8	-84.1	179.9	158.4	0	0	112.4	V178 L179 N235 V236 R382	V178-E182 HydrophobicContact CG1-CB 3.38Å; L179-E182 HydrophobicContact CB-CB 4.31Å; L179-E182 HydrophobicContact CB-CG 3.86Å; L179-E182 WeakPolarHBondContact CB-OE2 3.37Å; L179-E182 HydrophobicContact CD1-CG 4.45Å; L179-E182 PolarHBondContact N-OE2 3.06Å; L179-E182 WeakPolarHBondContact O-CB 3.35Å; L179-E182 PolarHBondContact O-N 2.8Å; E182-N235 WeakPolarHBondContact O-CA 3.21Å; E182-N235 PolarHBondContact O-N 2.88Å; E182-V236 WeakPolarHBondContact O-CB 3.18Å; E182-V236 WeakPolarHBondContact O-CG2 3.29Å; E182-V236 PolarHBondContact O-N 3.1Å; E182-R382 IonicContact OE2-NH1 3.39Å; E182-R382 PolarHBondContact OE2-NH1 3.01Å
183	T	91.8	Very high	91	Very high	77 Å²	77	53 Å²	53	47%	0.472	27%	0.265	S	S	.	.			trans	-118.3	133	177	-66.1	0	0	0	0	109.6	L232 I233 Q234	T183-L232 HydrophobicContact CG2-CD1 3.57Å; T183-L232 HydrophobicContact CG2-CG 4.16Å; T183-I233 CarbonylContact C-O 3.53Å; T183-I233 WeakPolarHBondContact CA-O 3.18Å; T183-I233 WeakPolarHBondContact CG2-O 3.45Å; T183-Q234 HydrophobicContact CG2-CG 4.06Å
184	V	93.3	Very high	90.7	Very high	6 Å²	6	59 Å²	59	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	143	178.8	69.7	0	0	0	0	111.6	Y176 V178 M186 L232 I233 V236 L263	Y176-V184 HydrophobicContact CD1-CG2 4.14Å; Y176-V184 HydrophobicContact CG-CG2 4.36Å; V178-V184 HydrophobicContact CG2-CB 3.83Å; V178-V184 HydrophobicContact CG2-CG2 3.72Å; V184-M186 HydrophobicContact CG2-CG 4.07Å; V184-L232 CarbonylContact O-C 3.54Å; V184-L232 WeakPolarHBondContact O-CA 3.29Å; V184-I233 HydrophobicContact CG1-CB 3.83Å; V184-I233 HydrophobicContact CG1-CD1 4.2Å; V184-I233 HydrophobicContact CG1-CG1 4.19Å; V184-I233 PolarHBondContact N-O 3.21Å; V184-I233 PolarHBondContact O-N 2.86Å; V184-V236 HydrophobicContact CB-CG2 4.27Å; V184-V236 HydrophobicContact CG1-CG2 3.84Å; V184-L263 HydrophobicContact CB-CD1 4.41Å; V184-L263 HydrophobicContact CG1-CD1 4.21Å; V184-L263 HydrophobicContact CG1-CD2 4.2Å; V184-L263 HydrophobicContact CG2-CD1 4.06Å
185	L	94	Very high	90.5	Very high	63 Å²	63	52.3 Å²	52.3	33%	0.33	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	103.3	172	-178.8	64.1	0	0	0	109.8	Q221 D230 L231 L232	L185-Q221 HydrophobicContact CD1-CB 4.38Å; L185-D230 HydrophobicContact CD1-CB 3.74Å; L185-D230 HydrophobicContact CG-CB 4.33Å; L185-L231 CarbonylContact C-O 3.58Å; L185-L231 WeakPolarHBondContact CA-O 3.42Å; L185-L232 HydrophobicContact CB-CD1 4.14Å; L185-L232 HydrophobicContact CD1-CB 4.05Å; L185-L232 HydrophobicContact CD1-CD1 4.08Å
186	M	94	Very high	90.3	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.2	178.5	-61.5	-174.8	-80.6	0	0	109.6	Y176 V184 W199 D230 L231 I233 Y244 T261	Y176-M186 HydrophobicContact CD1-CG 4.23Å; Y176-M186 HydrophobicContact CD2-CB 4.47Å; Y176-M186 HydrophobicContact CD2-CG 3.7Å; Y176-M186 HydrophobicContact CD2-SD 3.96Å; Y176-M186 HydrophobicContact CE1-CG 4.23Å; Y176-M186 HydrophobicContact CE2-CB 3.95Å; Y176-M186 HydrophobicContact CE2-CG 3.69Å; Y176-M186 HydrophobicContact CE2-SD 4.3Å; Y176-M186 HydrophobicContact CG-CG 3.99Å; Y176-M186 HydrophobicContact CG-SD 4.5Å; V184-M186 HydrophobicContact CG2-CG 4.07Å; M186-W199 HydrophobicContact CB-CH2 3.62Å; M186-W199 HydrophobicContact CB-CZ2 4.16Å; M186-W199 HydrophobicContact CB-CZ3 4.18Å; M186-W199 WeakPolarHBondContact O-CZ2 3.24Å; M186-D230 CarbonylContact O-C 3.47Å; M186-D230 WeakPolarHBondContact O-CA 3.21Å; M186-L231 HydrophobicContact CE-CD2 3.83Å; M186-L231 HydrophobicContact CE-CG 4.19Å; M186-L231 PolarHBondContact N-O 2.85Å; M186-L231 PolarHBondContact O-N 2.87Å; M186-I233 HydrophobicContact CE-CD1 3.6Å; M186-I233 HydrophobicContact CE-CG1 4.38Å; M186-Y244 HydrophobicContact CE-CD1 3.79Å; M186-Y244 HydrophobicContact CE-CD2 4.1Å; M186-Y244 HydrophobicContact CE-CE1 3.95Å; M186-Y244 HydrophobicContact CE-CE2 4.29Å; M186-Y244 HydrophobicContact CE-CG 3.88Å; M186-Y244 HydrophobicContact SD-CD2 4.32Å; M186-Y244 HydrophobicContact SD-CG 4.3Å; M186-T261 HydrophobicContact SD-CG2 4.26Å
187	R	92.7	Very high	90.1	Very high	116 Å²	116	50.6 Å²	50.6	44%	0.438	25%	0.247	S	C	.	.			trans	-87.8	143.3	-170.1	-62.7	-175.1	-170.3	168.2	5.4	112.3	E170 P172 Y176 D230	E170-R187 WeakPolarHBondContact OE1-CD 2.97Å; E170-R187 IonicContact OE1-CZ 3.79Å; E170-R187 IonicContact OE1-NE 2.71Å; E170-R187 IonicContact OE1-NH1 3.79Å; E170-R187 PolarHBondContact OE1-NH1 3.24Å; P172-R187 VanDerWaalsContact CA-O 3.25Å; P172-R187 WeakPolarHBondContact CA-O 3.45Å; P172-R187 VanDerWaalsContact CD-O 3.31Å; P172-R187 WeakPolarHBondContact CD-O 3.46Å; P172-R187 VanDerWaalsContact CG-O 3.24Å; P172-R187 WeakPolarHBondContact CG-O 3.36Å; P172-R187 VanDerWaalsContact N-O 3.16Å; Y176-R187 PolarHBondContact OH-N 3.03Å; R187-D230 VanDerWaalsContact CA-OD1 3.26Å; R187-D230 WeakPolarHBondContact CA-OD1 3.26Å
188	C	92.7	Very high	90.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.			trans	-154	119.2	165.6	-176.8	0	0	0	0	110.4	P172 W199 H229 D230 C246	P172-C188 HydrophobicContact CG-CB 4.41Å; C188-W199 HydrophobicContact CB-CH2 4.38Å; C188-W199 HydrophobicContact CB-CZ2 3.5Å; C188-W199 VanDerWaalsContact CB-CZ2 3.5Å; C188-H229 CarbonylContact O-C 2.97Å; C188-H229 PolarHBondContact O-N 2.94Å; C188-D230 PolarHBondContact N-OD1 2.76Å; C188-C246 HydrophobicContact CB-CB 3.56Å; C188-C246 WeakPolarHBondContact CB-SG 3.44Å; C188-C246 WeakPolarHBondContact SG-CB 3.25Å; C188-C246 CovalentContact SG-SG 2.02Å; C188-C246 PolarHBondContact SG-SG 2.69Å
189	R	93.9	Very high	90.2	Very high	58 Å²	58	48.5 Å²	48.5	22%	0.219	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.3	-173.3	-50.5	-173.6	-179.8	165.5	-15.7	111.4	L168 R169 E170 G227 V228 D230	L168-R189 CarbonylContact C-O 3.52Å; L168-R189 WeakPolarHBondContact CA-O 3.37Å; R169-R189 PolarHBondContact N-O 3.24Å; E170-R189 HydrophobicContact CB-CB 3.88Å; E170-R189 HydrophobicContact CB-CG 4.05Å; E170-R189 PolarHBondContact N-O 2.99Å; E170-R189 PolarHBondContact O-N 2.71Å; E170-R189 VanDerWaalsContact O-N 3.08Å; E170-R189 IonicContact OE1-NH1 3.71Å; E170-R189 VanDerWaalsContact OE2-CD 3.28Å; E170-R189 WeakPolarHBondContact OE2-CD 3.34Å; E170-R189 IonicContact OE2-CZ 2.66Å; E170-R189 IonicContact OE2-NE 2.75Å; E170-R189 IonicContact OE2-NH1 2.74Å; E170-R189 PolarHBondContact OE2-NH1 3.35Å; R189-G227 CarbonylContact C-O 3.35Å; R189-G227 WeakPolarHBondContact CA-O 3.49Å; R189-V228 HydrophobicContact CG-CG1 4.18Å; R189-V228 HydrophobicContact CG-CG2 4.42Å; R189-D230 WeakPolarHBondContact CG-OD1 3.27Å; R189-D230 IonicContact CZ-OD2 2.71Å; R189-D230 VanDerWaalsContact CZ-OD2 3.29Å; R189-D230 IonicContact NE-OD1 2.58Å; R189-D230 PolarHBondContact NE-OD1 3.21Å; R189-D230 IonicContact NE-OD2 3.7Å; R189-D230 PolarHBondContact NE-OD2 2.78Å; R189-D230 IonicContact NH2-OD2 2.9Å; R189-D230 PolarHBondContact NH2-OD2 2.85Å
190	V	91.7	Very high	90.2	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.3	-167.3	-168.5	0	0	0	0	109.5	Q166 C167 L168 Q193 G227 V248 L257	Q166-V190 HydrophobicContact CB-CG1 4.49Å; C167-V190 CarbonylContact O-C 3.23Å; C167-V190 WeakPolarHBondContact O-CA 3.09Å; L168-V190 HydrophobicContact CD2-CG2 4.21Å; V190-Q193 HydrophobicContact CB-CB 4.15Å; V190-Q193 HydrophobicContact CB-CG 4.42Å; V190-Q193 HydrophobicContact CG1-CB 3.8Å; V190-Q193 HydrophobicContact CG1-CG 4.06Å; V190-G227 PolarHBondContact N-O 2.98Å; V190-V248 HydrophobicContact CG1-CG2 4.33Å; V190-V248 HydrophobicContact CG2-CG2 3.69Å; V190-L257 HydrophobicContact CG1-CD1 3.99Å
191	A	90.1	Very high	90.2	Very high	13 Å²	13	45.4 Å²	45.4	11%	0.107	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	151.9	168.5	0	0	0	0	0	110.2	Q166 C167 R169 Q193	Q166-A191 WeakPolarHBondContact CA-O 3.49Å; C167-A191 PolarHBondContact N-O 2.65Å; C167-A191 PolarHBondContact O-N 2.99Å; R169-A191 HydrophobicContact CB-CB 4.22Å; A191-Q193 PolarHBondContact O-N 3.12Å
192	N	87.6	Confident	90.1	Very high	65 Å²	65	48.8 Å²	48.8	35%	0.348	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	31.8	176.8	-55.9	-49.5	0	0	0	114.8	S165 R194	S165-N192 WeakPolarHBondContact O-CB 3.25Å; S165-N192 PolarHBondContact O-ND2 2.71Å; N192-R194 PolarHBondContact O-N 2.77Å
193	Q	87.2	Confident	89.5	Confident	47 Å²	47	51.6 Å²	51.6	22%	0.22	24%	0.238	C	C	.	.			trans	-54.1	124.8	-170.1	-176.2	173.3	3.3	0	0	112.4	V190 A191 G195 H229	V190-Q193 HydrophobicContact CB-CB 4.15Å; V190-Q193 HydrophobicContact CB-CG 4.42Å; V190-Q193 HydrophobicContact CG1-CB 3.8Å; V190-Q193 HydrophobicContact CG1-CG 4.06Å; A191-Q193 PolarHBondContact O-N 3.12Å; Q193-G195 WeakPolarHBondContact CG-O 3Å; Q193-G195 PolarHBondContact NE2-O 3.39Å; Q193-H229 PolarHBondContact NE2-NE2 2.97Å; Q193-H229 PolarHBondContact OE1-NE2 2.92Å
194	R	85.2	Confident	89.1	Confident	170 Å²	170	51.3 Å²	51.3	64%	0.642	23%	0.23	S	C	*	.			trans	-111.3	-41.5	171.4	-61.5	-62.3	-169.2	148.6	5.2	111.5	Q166 N192 V251 Q254	Q166-R194 VanDerWaalsContact OE1-N 3.13Å; N192-R194 PolarHBondContact O-N 2.77Å; R194-V251 HydrophobicContact CB-CB 3.99Å; R194-V251 HydrophobicContact CB-CG1 4.15Å; R194-V251 HydrophobicContact CB-CG2 3.82Å; R194-Q254 HydrophobicContact CB-CG 4.49Å; R194-Q254 HydrophobicContact CG-CG 4.22Å
195	G	83.2	Confident	88.7	Confident	4 Å²	4	55.5 Å²	55.5	4%	0.041	25%	0.252	C	S	.	.	S	Bend	trans	-85.2	165.5	-179.6	0	0	0	0	0	113.6	Q193 S249	Q193-G195 WeakPolarHBondContact CG-O 3Å; Q193-G195 PolarHBondContact NE2-O 3.39Å; G195-S249 WeakPolarHBondContact CA-O 3.46Å; G195-S249 WeakPolarHBondContact CA-OG 3.09Å
196	K	86.7	Confident	88.3	Confident	138 Å²	138	53 Å²	53	60%	0.6	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-79.4	135	176.9	-60.2	179.7	-178.5	176.1	0	110	Y208 V248 S249	K196-Y208 HydrophobicContact CB-CD1 3.58Å; K196-Y208 HydrophobicContact CB-CE1 3.45Å; K196-Y208 VanDerWaalsContact CB-CE1 3.45Å; K196-Y208 HydrophobicContact CB-CG 4.4Å; K196-Y208 HydrophobicContact CD-CD1 4.43Å; K196-Y208 HydrophobicContact CD-CG 4.48Å; K196-V248 WeakPolarHBondContact O-CA 3.23Å; K196-S249 PolarHBondContact N-OG 3.26Å; K196-S249 PolarHBondContact O-N 3.36Å
197	A	89	Confident	87.7	Confident	7 Å²	7	53.9 Å²	53.9	6%	0.058	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	142.1	177.7	0	0	0	0	0	111.5	Y208 H229 Q247 V248	A197-Y208 WeakPolarHBondContact O-CD1 3.21Å; A197-H229 HydrophobicContact CB-CB 4.25Å; A197-Q247 CarbonylContact C-O 3.54Å; A197-Q247 VanDerWaalsContact CA-O 3.25Å; A197-Q247 WeakPolarHBondContact CA-O 3.16Å; A197-V248 HydrophobicContact CB-CG2 4.05Å
198	Q	90.5	Very high	87.3	Confident	17 Å²	17	54.3 Å²	54.3	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	170	178	65.3	-178.9	3.3	0	0	110.4	G207 Y208 Q247	Q198-G207 VanDerWaalsContact CB-O 3.29Å; Q198-G207 WeakPolarHBondContact CB-O 3.15Å; Q198-Y208 HydrophobicContact CB-CD1 3.84Å; Q198-Y208 HydrophobicContact CB-CE1 3.75Å; Q198-Y208 HydrophobicContact CG-CE1 3.94Å; Q198-Y208 VanDerWaalsContact OE1-CZ 3.3Å; Q198-Y208 PolarHBondContact OE1-OH 3.39Å; Q198-Q247 HydrophobicContact CG-CB 4.02Å; Q198-Q247 PolarHBondContact N-O 3.28Å; Q198-Q247 PolarHBondContact O-N 2.63Å
199	W	93.6	Very high	86.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.9	169.6	-78.4	78.9	0	0	0	112.3	P172 M186 C188 L206 L220 H229 L231 E245 C246 T261	P172-W199 HydrophobicContact CB-CH2 4.01Å; P172-W199 HydrophobicContact CG-CH2 3.66Å; P172-W199 HydrophobicContact CG-CZ2 4.33Å; P172-W199 HydrophobicContact CG-CZ3 4.23Å; M186-W199 HydrophobicContact CB-CH2 3.62Å; M186-W199 HydrophobicContact CB-CZ2 4.16Å; M186-W199 HydrophobicContact CB-CZ3 4.18Å; M186-W199 WeakPolarHBondContact O-CZ2 3.24Å; C188-W199 HydrophobicContact CB-CH2 4.38Å; C188-W199 HydrophobicContact CB-CZ2 3.5Å; C188-W199 VanDerWaalsContact CB-CZ2 3.5Å; W199-L206 HydrophobicContact CB-CD1 4Å; W199-L206 PolarHBondContact O-N 2.78Å; W199-L220 VanDerWaalsContact CD1-CD2 3.48Å; W199-L220 HydrophobicContact CG-CD2 4.31Å; W199-H229 PolarHBondContact NE1-O 2.91Å; W199-L231 HydrophobicContact CB-CD2 3.89Å; W199-L231 HydrophobicContact CD2-CB 3.82Å; W199-L231 HydrophobicContact CD2-CD2 3.76Å; W199-L231 HydrophobicContact CD2-CG 4.46Å; W199-L231 HydrophobicContact CE3-CB 4.47Å; W199-L231 HydrophobicContact CE3-CD2 3.89Å; W199-L231 HydrophobicContact CG-CB 3.98Å; W199-L231 HydrophobicContact CG-CD2 3.8Å; W199-L231 HydrophobicContact CG-CG 4.46Å; W199-L231 HydrophobicContact CZ2-CB 4.02Å; W199-E245 CarbonylContact C-O 3.48Å; W199-C246 HydrophobicContact CD2-CB 4.04Å; W199-C246 HydrophobicContact CE3-CB 4.22Å; W199-C246 HydrophobicContact CH2-CB 4.26Å; W199-C246 HydrophobicContact CZ2-CB 4.07Å; W199-C246 HydrophobicContact CZ3-CB 4.32Å; W199-T261 HydrophobicContact CZ3-CG2 3.93Å
200	R	91.1	Very high	86.4	Confident	40 Å²	40	61.3 Å²	61.3	15%	0.151	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.4	166.2	175.3	166.7	70.4	95.8	-8.7	108.7	R202 F204 L205 Y244 E245	R200-R202 WeakPolarHBondContact CG-O 3.5Å; R200-R202 PolarHBondContact NH1-O 3.38Å; R200-F204 CarbonylContact C-O 3.58Å; R200-F204 WeakPolarHBondContact CA-O 3.46Å; R200-F204 WeakPolarHBondContact CG-O 3.33Å; R200-L205 HydrophobicContact CB-CD2 3.9Å; R200-L205 HydrophobicContact CG-CD2 4.32Å; R200-Y244 CarbonylContact O-C 3.58Å; R200-Y244 WeakPolarHBondContact O-CA 3.28Å; R200-Y244 WeakPolarHBondContact O-CB 3.04Å; R200-E245 HydrophobicContact CB-CB 4.16Å; R200-E245 IonicContact CZ-OE1 3.7Å; R200-E245 IonicContact CZ-OE2 2.69Å; R200-E245 PolarHBondContact N-O 3.18Å; R200-E245 IonicContact NE-OE1 2.87Å; R200-E245 IonicContact NE-OE2 3.6Å; R200-E245 PolarHBondContact NE-OE2 3.12Å; R200-E245 IonicContact NH2-OE1 2.68Å; R200-E245 PolarHBondContact NH2-OE1 2.81Å; R200-E245 IonicContact NH2-OE2 3.85Å; R200-E245 PolarHBondContact NH2-OE2 2.78Å; R200-E245 PolarHBondContact O-N 2.63Å
201	A	89.5	Confident	86	Confident	9 Å²	9	67.5 Å²	67.5	7%	0.074	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.3	170.5	0	0	0	0	0	108.1	N203 F204 L206 Y244	A201-N203 PolarHBondContact O-N 2.98Å; A201-F204 PolarHBondContact N-O 3.27Å; A201-F204 WeakPolarHBondContact O-CB 3.07Å; A201-F204 PolarHBondContact O-N 2.79Å; A201-L206 HydrophobicContact CB-CD1 4.2Å; A201-L206 HydrophobicContact CB-CD2 4.07Å; A201-L206 HydrophobicContact CB-CG 4.16Å; A201-Y244 HydrophobicContact CB-CD1 3.64Å; A201-Y244 HydrophobicContact CB-CE1 3.39Å
202	R	84.1	Confident	85.7	Confident	113 Å²	113	67.4 Å²	67.4	43%	0.426	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	-104.2	-168.6	-56.9	172.6	177.9	136.4	-8.5	111.1	R200 E239 A241 V243	R200-R202 WeakPolarHBondContact CG-O 3.5Å; R200-R202 PolarHBondContact NH1-O 3.38Å; R202-E239 PolarHBondContact NH1-O 2.96Å; R202-E239 PolarHBondContact NH2-O 3.13Å; R202-A241 PolarHBondContact NE-O 2.86Å; R202-A241 PolarHBondContact NH2-O 2.99Å; R202-V243 VanDerWaalsContact CA-O 3.29Å; R202-V243 WeakPolarHBondContact CA-O 3.42Å; R202-V243 PolarHBondContact N-O 2.88Å
203	N	77.7	Confident	85	Confident	138 Å²	138	67.4 Å²	67.4	74%	0.738	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	16.7	179.4	-66	-23.4	0	0	0	113.1	A201	A201-N203 PolarHBondContact O-N 2.98Å
204	F	82.9	Confident	84.4	Confident	71 Å²	71	70.6 Å²	70.6	31%	0.311	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.4	176.5	-104.1	-79.2	0	0	0	111.7	R200 A201 Q2070	R200-F204 CarbonylContact C-O 3.58Å; R200-F204 WeakPolarHBondContact CA-O 3.46Å; R200-F204 WeakPolarHBondContact CG-O 3.33Å; A201-F204 PolarHBondContact N-O 3.27Å; A201-F204 WeakPolarHBondContact O-CB 3.07Å; A201-F204 PolarHBondContact O-N 2.79Å; F204-Q2070 VanDerWaalsContact CZ-NE2 3.3Å
205	L	85	Confident	84.2	Confident	93 Å²	93	65.1 Å²	65.1	49%	0.487	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.9	167.8	-62.3	177.4	0	0	0	109.1	R200 G207	R200-L205 HydrophobicContact CB-CD2 3.9Å; R200-L205 HydrophobicContact CG-CD2 4.32Å; L205-G207 PolarHBondContact O-N 2.92Å
206	L	86.9	Confident	84.2	Confident	10 Å²	10	70.5 Å²	70.5	5%	0.052	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-10.4	176.9	-58.7	177.6	0	0	0	112.4	W199 A201 I212 W215 Y218 L231	W199-L206 HydrophobicContact CB-CD1 4Å; W199-L206 PolarHBondContact O-N 2.78Å; A201-L206 HydrophobicContact CB-CD1 4.2Å; A201-L206 HydrophobicContact CB-CD2 4.07Å; A201-L206 HydrophobicContact CB-CG 4.16Å; L206-I212 HydrophobicContact CB-CD1 3.92Å; L206-I212 HydrophobicContact CB-CG1 4.4Å; L206-I212 HydrophobicContact CB-CG2 4.31Å; L206-I212 HydrophobicContact CD1-CD1 4.12Å; L206-I212 HydrophobicContact CD2-CG2 4.46Å; L206-W215 HydrophobicContact CD2-CD2 4.48Å; L206-W215 HydrophobicContact CD2-CG 4.49Å; L206-Y218 HydrophobicContact CD1-CD1 3.93Å; L206-Y218 HydrophobicContact CD1-CE1 4.45Å; L206-Y218 HydrophobicContact CD2-CD1 4.26Å; L206-L231 HydrophobicContact CD1-CD1 3.98Å; L206-L231 HydrophobicContact CD1-CD2 3.67Å
207	G	80.7	Confident	84.4	Confident	20 Å²	20	67.2 Å²	67.2	21%	0.206	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78.1	-166.6	174.7	0	0	0	0	0	114.9	Q198 L205	Q198-G207 VanDerWaalsContact CB-O 3.29Å; Q198-G207 WeakPolarHBondContact CB-O 3.15Å; L205-G207 PolarHBondContact O-N 2.92Å
208	Y	85	Confident	84.6	Confident	124 Å²	124	67.3 Å²	67.3	49%	0.486	33%	0.33	S	S	.	.	S	Bend	trans	-103.5	-2.4	-168.3	-55.3	-69.6	0	0	0	114.9	K196 A197 Q198	K196-Y208 HydrophobicContact CB-CD1 3.58Å; K196-Y208 HydrophobicContact CB-CE1 3.45Å; K196-Y208 VanDerWaalsContact CB-CE1 3.45Å; K196-Y208 HydrophobicContact CB-CG 4.4Å; K196-Y208 HydrophobicContact CD-CD1 4.43Å; K196-Y208 HydrophobicContact CD-CG 4.48Å; A197-Y208 WeakPolarHBondContact O-CD1 3.21Å; Q198-Y208 HydrophobicContact CB-CD1 3.84Å; Q198-Y208 HydrophobicContact CB-CE1 3.75Å; Q198-Y208 HydrophobicContact CG-CE1 3.94Å; Q198-Y208 VanDerWaalsContact OE1-CZ 3.3Å; Q198-Y208 PolarHBondContact OE1-OH 3.39Å
209	K	82.2	Confident	84.6	Confident	137 Å²	137	68 Å²	68	60%	0.596	34%	0.337	S	S	*	.			trans	-82.4	138.2	179	-69.2	-177.6	177.1	179.5	0	109.5	N211 P213	K209-N211 WeakPolarHBondContact CB-O 3.36Å; K209-P213 HydrophobicContact CD-CG 3.77Å
210	R	85.5	Confident	84.4	Confident	69 Å²	69	68.4 Å²	68.4	26%	0.26	34%	0.339	S	S	.	.	S	Bend	trans	-67.4	-35.5	177.5	-74.2	-163.9	169.9	-78.7	-1	113.5	S219 L220 Q221 G222 V228	R210-S219 CarbonylContact O-C 3.58Å; R210-S219 WeakPolarHBondContact O-CA 3.04Å; R210-S219 WeakPolarHBondContact O-CB 3.07Å; R210-L220 HydrophobicContact CG-CB 4.38Å; R210-L220 VanDerWaalsContact NH1-C 3.32Å; R210-L220 PolarHBondContact NH1-O 2.99Å; R210-L220 PolarHBondContact O-N 2.9Å; R210-Q221 PolarHBondContact NH1-O 3.3Å; R210-G222 PolarHBondContact NE-O 2.95Å; R210-G222 PolarHBondContact NH1-O 3.44Å; R210-G222 PolarHBondContact NH2-O 3.19Å; R210-V228 PolarHBondContact NH2-O 2.72Å
211	N	83.1	Confident	84.1	Confident	133 Å²	133	71.1 Å²	71.1	71%	0.711	35%	0.353	S	S	*	.	B	Isolated β-bridge	trans	-93.9	116.5	163.7	-60.9	15.2	0	0	0	106.4	K209 P213	K209-N211 WeakPolarHBondContact CB-O 3.36Å; N211-P213 VanDerWaalsContact O-CD 3.31Å; N211-P213 WeakPolarHBondContact O-CD 3.09Å
212	I	83.9	Confident	83.9	Confident	10 Å²	10	72.6 Å²	72.6	5%	0.051	37%	0.37	C	S	.	.			trans	-83.2	114.3	-176.1	-64.3	159.5	0	0	0	107.6	L206 W215 L220 L231	L206-I212 HydrophobicContact CB-CD1 3.92Å; L206-I212 HydrophobicContact CB-CG1 4.4Å; L206-I212 HydrophobicContact CB-CG2 4.31Å; L206-I212 HydrophobicContact CD1-CD1 4.12Å; L206-I212 HydrophobicContact CD2-CG2 4.46Å; I212-W215 HydrophobicContact CG2-CB 3.93Å; I212-W215 HydrophobicContact CG2-CG 4.22Å; I212-L220 HydrophobicContact CD1-CD2 4.39Å; I212-L220 HydrophobicContact CD1-CG 4.25Å; I212-L231 HydrophobicContact CD1-CD1 4.05Å
213	P	72.5	Confident	84	Confident	65 Å²	65	71.3 Å²	71.3	42%	0.422	37%	0.371	S	S	.	.	S	Bend	trans	-63.2	159.9	175.2	-17.6	32.8	0	0	0	110.7	K209 N211 W215	K209-P213 HydrophobicContact CD-CG 3.77Å; N211-P213 VanDerWaalsContact O-CD 3.31Å; N211-P213 WeakPolarHBondContact O-CD 3.09Å; P213-W215 PolarHBondContact O-N 2.68Å
214	D	73.6	Confident	84.2	Confident	114 Å²	114	67.8 Å²	67.8	61%	0.61	36%	0.357	S	S	*	.	S	Bend	trans	65.1	-30.7	-174.7	-43.6	-32.9	0	0	0	114.9	P216 M2068	D214-P216 VanDerWaalsContact C-CD 3.49Å; D214-P216 WeakPolarHBondContact O-CD 3.38Å; D214-M2068 HydrophobicContact CB-CE 4.13Å; D214-M2068 WeakPolarHBondContact O-CE 3.19Å
215	W	81.5	Confident	84.2	Confident	55 Å²	55	67.5 Å²	67.5	21%	0.208	37%	0.374	C	S	.	.			trans	-107.8	74.4	-177.4	-59.3	78.7	0	0	0	112	L206 I212 P213 R217 Y218 M2068	L206-W215 HydrophobicContact CD2-CD2 4.48Å; L206-W215 HydrophobicContact CD2-CG 4.49Å; I212-W215 HydrophobicContact CG2-CB 3.93Å; I212-W215 HydrophobicContact CG2-CG 4.22Å; P213-W215 PolarHBondContact O-N 2.68Å; W215-R217 PolarHBondContact O-N 2.77Å; W215-R217 VanDerWaalsContact O-N 3.08Å; W215-Y218 HydrophobicContact CB-CD2 3.9Å; W215-Y218 HydrophobicContact CB-CG 3.96Å; W215-Y218 HydrophobicContact CE3-CD2 4.03Å; W215-Y218 HydrophobicContact CE3-CE1 4.31Å; W215-Y218 AromaticContact CE3-CE2 3.7Å; W215-Y218 HydrophobicContact CE3-CE2 3.7Å; W215-Y218 AromaticContact CE3-CZ 3.85Å; W215-Y218 HydrophobicContact CZ3-CE2 4.35Å; W215-Y218 WeakPolarHBondContact O-CB 3.41Å; W215-Y218 PolarHBondContact O-N 3.13Å; W215-M2068 HydrophobicContact CB-CE 4.37Å; W215-M2068 HydrophobicContact CD2-CE 3.34Å; W215-M2068 HydrophobicContact CE3-CE 3.8Å; W215-M2068 HydrophobicContact CG-CE 3.61Å; W215-M2068 HydrophobicContact CH2-CE 4.22Å; W215-M2068 HydrophobicContact CZ2-CE 3.83Å; W215-M2068 HydrophobicContact CZ3-CE 4.21Å
216	P	83.3	Confident	84.3	Confident	118 Å²	118	69.1 Å²	69.1	77%	0.766	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.2	-170.9	26.5	-36.7	0	0	0	114.6	D214 Y218	D214-P216 VanDerWaalsContact C-CD 3.49Å; D214-P216 WeakPolarHBondContact O-CD 3.38Å; P216-Y218 VanDerWaalsContact C-N 3.27Å; P216-Y218 PolarHBondContact O-N 2.91Å
217	R	91	Very high	84.3	Confident	68 Å²	68	68.8 Å²	68.8	26%	0.257	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15	173.2	-59.2	-165.7	-54.1	-115.7	3.4	113.1	W215 I233 Q234 S237 E239 D240	W215-R217 PolarHBondContact O-N 2.77Å; W215-R217 VanDerWaalsContact O-N 3.08Å; R217-I233 HydrophobicContact CB-CG2 4.37Å; R217-I233 CarbonylContact O-C 3.6Å; R217-I233 WeakPolarHBondContact O-CA 3.34Å; R217-Q234 WeakPolarHBondContact CB-O 3.26Å; R217-Q234 WeakPolarHBondContact CD-O 3.44Å; R217-Q234 PolarHBondContact O-N 2.87Å; R217-S237 PolarHBondContact NH2-OG 2.85Å; R217-S237 VanDerWaalsContact NH2-OG 3.16Å; R217-E239 IonicContact CZ-OE1 3.2Å; R217-E239 VanDerWaalsContact CZ-OE1 3.26Å; R217-E239 IonicContact NH1-OE1 2.7Å; R217-E239 PolarHBondContact NH1-OE1 2.88Å; R217-E239 IonicContact NH2-OE1 3.29Å; R217-E239 PolarHBondContact NH2-OE1 3.26Å; R217-D240 IonicContact CZ-OD1 3.86Å; R217-D240 IonicContact CZ-OD2 2.78Å; R217-D240 IonicContact NE-OD1 3.24Å; R217-D240 IonicContact NE-OD2 2.72Å; R217-D240 IonicContact NH2-OD1 3.13Å; R217-D240 PolarHBondContact NH2-OD1 2.87Å; R217-D240 IonicContact NH2-OD2 2.76Å; R217-D240 PolarHBondContact NH2-OD2 2.78Å
218	Y	92.1	Very high	84.9	Confident	9 Å²	9	68.8 Å²	68.8	4%	0.035	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.5	-166.4	-69.2	-124.8	0	0	0	111.7	L206 W215 P216 L231 L232 I233 D240 Y244	L206-Y218 HydrophobicContact CD1-CD1 3.93Å; L206-Y218 HydrophobicContact CD1-CE1 4.45Å; L206-Y218 HydrophobicContact CD2-CD1 4.26Å; W215-Y218 HydrophobicContact CB-CD2 3.9Å; W215-Y218 HydrophobicContact CB-CG 3.96Å; W215-Y218 HydrophobicContact CE3-CD2 4.03Å; W215-Y218 HydrophobicContact CE3-CE1 4.31Å; W215-Y218 AromaticContact CE3-CE2 3.7Å; W215-Y218 HydrophobicContact CE3-CE2 3.7Å; W215-Y218 AromaticContact CE3-CZ 3.85Å; W215-Y218 HydrophobicContact CZ3-CE2 4.35Å; W215-Y218 WeakPolarHBondContact O-CB 3.41Å; W215-Y218 PolarHBondContact O-N 3.13Å; P216-Y218 VanDerWaalsContact C-N 3.27Å; P216-Y218 PolarHBondContact O-N 2.91Å; Y218-L231 HydrophobicContact CD1-CD1 4.32Å; Y218-L232 WeakPolarHBondContact CA-O 3.11Å; Y218-I233 HydrophobicContact CD1-CD1 3.94Å; Y218-I233 HydrophobicContact CD1-CG1 3.73Å; Y218-I233 HydrophobicContact CD2-CG2 3.89Å; Y218-I233 HydrophobicContact CE1-CD1 3.45Å; Y218-I233 VanDerWaalsContact CE1-CD1 3.45Å; Y218-I233 HydrophobicContact CE1-CG1 3.76Å; Y218-I233 HydrophobicContact CE1-CG2 4.34Å; Y218-I233 HydrophobicContact CE2-CG1 4.49Å; Y218-I233 HydrophobicContact CE2-CG2 3.6Å; Y218-I233 HydrophobicContact CG-CG1 4.11Å; Y218-I233 HydrophobicContact CG-CG2 4.33Å; Y218-D240 WeakPolarHBondContact CE2-OD1 3.41Å; Y218-D240 PolarHBondContact OH-OD1 3.04Å; Y218-Y244 HydrophobicContact CE1-CE1 4.13Å; Y218-Y244 PolarHBondContact OH-OH 3.14Å
219	S	91.1	Very high	85.2	Confident	32 Å²	32	63.3 Å²	63.3	22%	0.224	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	155.4	174.2	56.9	0	0	0	0	113.2	R210 L232	R210-S219 CarbonylContact O-C 3.58Å; R210-S219 WeakPolarHBondContact O-CA 3.04Å; R210-S219 WeakPolarHBondContact O-CB 3.07Å; S219-L232 PolarHBondContact N-O 3.4Å; S219-L232 PolarHBondContact O-N 2.82Å
220	L	88.9	Confident	85.7	Confident	9 Å²	9	57 Å²	57	5%	0.047	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	109.9	175	-54.6	176.1	0	0	0	110	W199 R210 I212 D230 L231	W199-L220 VanDerWaalsContact CD1-CD2 3.48Å; W199-L220 HydrophobicContact CG-CD2 4.31Å; R210-L220 HydrophobicContact CG-CB 4.38Å; R210-L220 VanDerWaalsContact NH1-C 3.32Å; R210-L220 PolarHBondContact NH1-O 2.99Å; R210-L220 PolarHBondContact O-N 2.9Å; I212-L220 HydrophobicContact CD1-CD2 4.39Å; I212-L220 HydrophobicContact CD1-CG 4.25Å; L220-D230 CarbonylContact C-O 3.55Å; L220-D230 WeakPolarHBondContact CA-O 3.07Å; L220-L231 HydrophobicContact CD2-CB 4.03Å; L220-L231 HydrophobicContact CD2-CD1 3.93Å
221	Q	86.5	Confident	86.1	Confident	97 Å²	97	53.7 Å²	53.7	45%	0.453	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	163.3	179.7	-154.8	173.9	19.8	0	0	111.9	L185 R210 D230	L185-Q221 HydrophobicContact CD1-CB 4.38Å; R210-Q221 PolarHBondContact NH1-O 3.3Å; Q221-D230 PolarHBondContact N-O 2.72Å; Q221-D230 PolarHBondContact O-N 2.92Å
222	G	83.8	Confident	86.6	Confident	40 Å²	40	48.6 Å²	48.6	41%	0.412	29%	0.286	S	S	.	.	S	Bend	trans	97.4	-176.9	180	0	0	0	0	0	114.7	R210	R210-G222 PolarHBondContact NE-O 2.95Å; R210-G222 PolarHBondContact NH1-O 3.44Å; R210-G222 PolarHBondContact NH2-O 3.19Å
223	D	85.9	Confident	87.1	Confident	86 Å²	86	48.1 Å²	48.1	46%	0.46	28%	0.283	S	S	.	.			trans	-102.7	132.7	174.8	178.1	19.5	0	0	0	111.1	G225 Q226 G227 V228	D223-G225 VanDerWaalsContact C-N 3.34Å; D223-G225 PolarHBondContact OD1-N 3.33Å; D223-Q226 HydrophobicContact CB-CB 4.31Å; D223-Q226 HydrophobicContact CB-CG 4.24Å; D223-Q226 PolarHBondContact O-N 2.95Å; D223-Q226 WeakPolarHBondContact OD2-CG 3.5Å; D223-Q226 PolarHBondContact OD2-N 2.55Å; D223-G227 PolarHBondContact O-N 2.7Å; D223-V228 PolarHBondContact O-N 2.81Å
224	S	83	Confident	88	Confident	64 Å²	64	49.8 Å²	49.8	45%	0.448	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-23.6	176.4	-169.2	0	0	0	0	112.7	Q226 G227 H229	S224-Q226 VanDerWaalsContact C-N 3.31Å; S224-G227 PolarHBondContact O-N 3.06Å; S224-H229 PolarHBondContact OG-CE1 3.04Å
225	G	82.3	Confident	88.8	Confident	65 Å²	65	49.2 Å²	49.2	67%	0.67	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-29.6	172.8	0	0	0	0	0	112.8	D223	D223-G225 VanDerWaalsContact C-N 3.34Å; D223-G225 PolarHBondContact OD1-N 3.33Å
226	Q	87.2	Confident	89.2	Confident	127 Å²	127	46.6 Å²	46.6	59%	0.593	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	6.7	174.7	-58.2	-56.7	-36.9	0	0	113.8	D223 S224 V228	D223-Q226 HydrophobicContact CB-CB 4.31Å; D223-Q226 HydrophobicContact CB-CG 4.24Å; D223-Q226 PolarHBondContact O-N 2.95Å; D223-Q226 WeakPolarHBondContact OD2-CG 3.5Å; D223-Q226 PolarHBondContact OD2-N 2.55Å; S224-Q226 VanDerWaalsContact C-N 3.31Å; Q226-V228 VanDerWaalsContact C-N 3.33Å; Q226-V228 HydrophobicContact CB-CG2 4.25Å; Q226-V228 PolarHBondContact O-N 3.27Å
227	G	87.3	Confident	89.6	Confident	2 Å²	2	42.1 Å²	42.1	2%	0.021	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	24.8	179.8	0	0	0	0	0	115.5	R189 V190 D223 S224 H229	R189-G227 CarbonylContact C-O 3.35Å; R189-G227 WeakPolarHBondContact CA-O 3.49Å; V190-G227 PolarHBondContact N-O 2.98Å; D223-G227 PolarHBondContact O-N 2.7Å; S224-G227 PolarHBondContact O-N 3.06Å; G227-H229 PolarHBondContact O-CD2 2.83Å
228	V	93.1	Very high	89.4	Confident	20 Å²	20	45.7 Å²	45.7	12%	0.121	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-96.3	118	-178.9	-175.4	0	0	0	0	110.4	R189 R210 D223 Q226 D230	R189-V228 HydrophobicContact CG-CG1 4.18Å; R189-V228 HydrophobicContact CG-CG2 4.42Å; R210-V228 PolarHBondContact NH2-O 2.72Å; D223-V228 PolarHBondContact O-N 2.81Å; Q226-V228 VanDerWaalsContact C-N 3.33Å; Q226-V228 HydrophobicContact CB-CG2 4.25Å; Q226-V228 PolarHBondContact O-N 3.27Å; V228-D230 WeakPolarHBondContact CG1-OD2 3.43Å
229	H	90.9	Very high	89.2	Confident	9 Å²	9	51 Å²	51	4%	0.042	28%	0.283	C	S	.	.			trans	-133.5	54.9	-176.3	-57.1	-82.8	0	0	0	109.6	C188 Q193 A197 W199 S224 G227	C188-H229 CarbonylContact O-C 2.97Å; C188-H229 PolarHBondContact O-N 2.94Å; Q193-H229 PolarHBondContact NE2-NE2 2.97Å; Q193-H229 PolarHBondContact OE1-NE2 2.92Å; A197-H229 HydrophobicContact CB-CB 4.25Å; W199-H229 PolarHBondContact NE1-O 2.91Å; S224-H229 PolarHBondContact OG-CE1 3.04Å; G227-H229 PolarHBondContact O-CD2 2.83Å
230	D	93.7	Very high	89.1	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.1	-177.6	-58.3	-26.6	0	0	0	109.4	L185 M186 R187 C188 R189 L220 Q221 V228	L185-D230 HydrophobicContact CD1-CB 3.74Å; L185-D230 HydrophobicContact CG-CB 4.33Å; M186-D230 CarbonylContact O-C 3.47Å; M186-D230 WeakPolarHBondContact O-CA 3.21Å; R187-D230 VanDerWaalsContact CA-OD1 3.26Å; R187-D230 WeakPolarHBondContact CA-OD1 3.26Å; C188-D230 PolarHBondContact N-OD1 2.76Å; R189-D230 WeakPolarHBondContact CG-OD1 3.27Å; R189-D230 IonicContact CZ-OD2 2.71Å; R189-D230 VanDerWaalsContact CZ-OD2 3.29Å; R189-D230 IonicContact NE-OD1 2.58Å; R189-D230 PolarHBondContact NE-OD1 3.21Å; R189-D230 IonicContact NE-OD2 3.7Å; R189-D230 PolarHBondContact NE-OD2 2.78Å; R189-D230 IonicContact NH2-OD2 2.9Å; R189-D230 PolarHBondContact NH2-OD2 2.85Å; L220-D230 CarbonylContact C-O 3.55Å; L220-D230 WeakPolarHBondContact CA-O 3.07Å; Q221-D230 PolarHBondContact N-O 2.72Å; Q221-D230 PolarHBondContact O-N 2.92Å; V228-D230 WeakPolarHBondContact CG1-OD2 3.43Å
231	L	93.7	Very high	89	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.2	-177.2	171.2	59.5	0	0	0	111.3	L185 M186 W199 L206 I212 Y218 L220 I233 Y244	L185-L231 CarbonylContact C-O 3.58Å; L185-L231 WeakPolarHBondContact CA-O 3.42Å; M186-L231 HydrophobicContact CE-CD2 3.83Å; M186-L231 HydrophobicContact CE-CG 4.19Å; M186-L231 PolarHBondContact N-O 2.85Å; M186-L231 PolarHBondContact O-N 2.87Å; W199-L231 HydrophobicContact CB-CD2 3.89Å; W199-L231 HydrophobicContact CD2-CB 3.82Å; W199-L231 HydrophobicContact CD2-CD2 3.76Å; W199-L231 HydrophobicContact CD2-CG 4.46Å; W199-L231 HydrophobicContact CE3-CB 4.47Å; W199-L231 HydrophobicContact CE3-CD2 3.89Å; W199-L231 HydrophobicContact CG-CB 3.98Å; W199-L231 HydrophobicContact CG-CD2 3.8Å; W199-L231 HydrophobicContact CG-CG 4.46Å; W199-L231 HydrophobicContact CZ2-CB 4.02Å; L206-L231 HydrophobicContact CD1-CD1 3.98Å; L206-L231 HydrophobicContact CD1-CD2 3.67Å; I212-L231 HydrophobicContact CD1-CD1 4.05Å; Y218-L231 HydrophobicContact CD1-CD1 4.32Å; L220-L231 HydrophobicContact CD2-CB 4.03Å; L220-L231 HydrophobicContact CD2-CD1 3.93Å; L231-I233 HydrophobicContact CD1-CG1 4.45Å; L231-I233 HydrophobicContact CG-CG1 4.35Å; L231-Y244 HydrophobicContact CD2-CD1 4.02Å; L231-Y244 HydrophobicContact CD2-CE1 4.34Å
232	L	94.3	Very high	89.2	Confident	26 Å²	26	46.8 Å²	46.8	14%	0.136	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.3	174.3	-172.5	75.5	0	0	0	109.9	T183 V184 L185 Y218 S219 Q234	T183-L232 HydrophobicContact CG2-CD1 3.57Å; T183-L232 HydrophobicContact CG2-CG 4.16Å; V184-L232 CarbonylContact O-C 3.54Å; V184-L232 WeakPolarHBondContact O-CA 3.29Å; L185-L232 HydrophobicContact CB-CD1 4.14Å; L185-L232 HydrophobicContact CD1-CB 4.05Å; L185-L232 HydrophobicContact CD1-CD1 4.08Å; Y218-L232 WeakPolarHBondContact CA-O 3.11Å; S219-L232 PolarHBondContact N-O 3.4Å; S219-L232 PolarHBondContact O-N 2.82Å; L232-Q234 HydrophobicContact CD2-CG 4.29Å; L232-Q234 HydrophobicContact CG-CG 4.46Å
233	I	93.6	Very high	89.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	118.1	167.9	-48.3	170.4	0	0	0	108.5	T183 V184 M186 R217 Y218 L231 V236 Y244 L263	T183-I233 CarbonylContact C-O 3.53Å; T183-I233 WeakPolarHBondContact CA-O 3.18Å; T183-I233 WeakPolarHBondContact CG2-O 3.45Å; V184-I233 HydrophobicContact CG1-CB 3.83Å; V184-I233 HydrophobicContact CG1-CD1 4.2Å; V184-I233 HydrophobicContact CG1-CG1 4.19Å; V184-I233 PolarHBondContact N-O 3.21Å; V184-I233 PolarHBondContact O-N 2.86Å; M186-I233 HydrophobicContact CE-CD1 3.6Å; M186-I233 HydrophobicContact CE-CG1 4.38Å; R217-I233 HydrophobicContact CB-CG2 4.37Å; R217-I233 CarbonylContact O-C 3.6Å; R217-I233 WeakPolarHBondContact O-CA 3.34Å; Y218-I233 HydrophobicContact CD1-CD1 3.94Å; Y218-I233 HydrophobicContact CD1-CG1 3.73Å; Y218-I233 HydrophobicContact CD2-CG2 3.89Å; Y218-I233 HydrophobicContact CE1-CD1 3.45Å; Y218-I233 VanDerWaalsContact CE1-CD1 3.45Å; Y218-I233 HydrophobicContact CE1-CG1 3.76Å; Y218-I233 HydrophobicContact CE1-CG2 4.34Å; Y218-I233 HydrophobicContact CE2-CG1 4.49Å; Y218-I233 HydrophobicContact CE2-CG2 3.6Å; Y218-I233 HydrophobicContact CG-CG1 4.11Å; Y218-I233 HydrophobicContact CG-CG2 4.33Å; L231-I233 HydrophobicContact CD1-CG1 4.45Å; L231-I233 HydrophobicContact CG-CG1 4.35Å; I233-V236 HydrophobicContact CB-CG2 4.26Å; I233-V236 HydrophobicContact CG2-CG2 4.16Å; I233-V236 WeakPolarHBondContact O-CG2 3.36Å; I233-Y244 HydrophobicContact CD1-CE1 3.92Å; I233-L263 HydrophobicContact CD1-CD2 4.22Å
234	Q	91.7	Very high	89.8	Confident	99 Å²	99	43.3 Å²	43.3	46%	0.463	24%	0.243	S	C	.	.			trans	-88.8	150.3	179.2	-64.6	-179.4	-30.2	0	0	111.8	T183 R217 L232 V236	T183-Q234 HydrophobicContact CG2-CG 4.06Å; R217-Q234 WeakPolarHBondContact CB-O 3.26Å; R217-Q234 WeakPolarHBondContact CD-O 3.44Å; R217-Q234 PolarHBondContact O-N 2.87Å; L232-Q234 HydrophobicContact CD2-CG 4.29Å; L232-Q234 HydrophobicContact CG-CG 4.46Å; Q234-V236 PolarHBondContact O-N 3.24Å
235	N	90.4	Very high	90.3	Very high	102 Å²	102	40.3 Å²	40.3	55%	0.545	22%	0.222	S	C	.	.	S	Bend	trans	48.8	57.3	175.9	-169.7	28.2	0	0	0	112.7	E182 S237	E182-N235 WeakPolarHBondContact O-CA 3.21Å; E182-N235 PolarHBondContact O-N 2.88Å; N235-S237 PolarHBondContact O-N 2.83Å
236	V	90.1	Very high	90.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.			trans	-62.8	128.9	-173.4	170.9	0	0	0	0	110.7	V178 E180 G181 E182 V184 I233 Q234 D240 I265	V178-V236 HydrophobicContact CG1-CB 4.31Å; V178-V236 HydrophobicContact CG1-CG1 4.43Å; V178-V236 HydrophobicContact CG1-CG2 4.41Å; E180-V236 CarbonylContact C-O 3.58Å; E180-V236 WeakPolarHBondContact CA-O 3.48Å; G181-V236 PolarHBondContact N-O 3.47Å; E182-V236 WeakPolarHBondContact O-CB 3.18Å; E182-V236 WeakPolarHBondContact O-CG2 3.29Å; E182-V236 PolarHBondContact O-N 3.1Å; V184-V236 HydrophobicContact CB-CG2 4.27Å; V184-V236 HydrophobicContact CG1-CG2 3.84Å; I233-V236 HydrophobicContact CB-CG2 4.26Å; I233-V236 HydrophobicContact CG2-CG2 4.16Å; I233-V236 WeakPolarHBondContact O-CG2 3.36Å; Q234-V236 PolarHBondContact O-N 3.24Å; V236-D240 HydrophobicContact CG1-CB 4.49Å; V236-I265 HydrophobicContact CG1-CD1 3.42Å; V236-I265 VanDerWaalsContact CG1-CD1 3.42Å; V236-I265 HydrophobicContact CG1-CG1 3.71Å; V236-I265 HydrophobicContact CG1-CG2 4.42Å
237	S	91.5	Very high	91	Very high	25 Å²	25	32.4 Å²	32.4	18%	0.175	17%	0.168	C	C	.	.			trans	-131.1	154.4	-169.5	60.1	0	0	0	0	110.5	R217 N235 E239 D240 I265	R217-S237 PolarHBondContact NH2-OG 2.85Å; R217-S237 VanDerWaalsContact NH2-OG 3.16Å; N235-S237 PolarHBondContact O-N 2.83Å; S237-E239 PolarHBondContact O-N 2.86Å; S237-E239 WeakPolarHBondContact OG-CG 2.97Å; S237-E239 PolarHBondContact OG-OE1 3.46Å; S237-D240 PolarHBondContact N-OD2 2.58Å; S237-D240 WeakPolarHBondContact O-CB 3.44Å; S237-D240 PolarHBondContact O-N 2.6Å; S237-D240 PolarHBondContact OG-OD2 2.7Å; S237-I265 WeakPolarHBondContact O-CD1 3.47Å
238	R	86.8	Confident	91.2	Very high	143 Å²	143	32.6 Å²	32.6	54%	0.54	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-44	-35.7	-174.4	-82.4	160.9	173.7	-109.9	-12	115.4	E180 D240 A241 V267	E180-R238 VanDerWaalsContact OE1-CD 3.29Å; E180-R238 WeakPolarHBondContact OE1-CD 3.25Å; E180-R238 VanDerWaalsContact OE1-CG 3.24Å; E180-R238 WeakPolarHBondContact OE1-CG 3.39Å; E180-R238 IonicContact OE1-NE 3.02Å; E180-R238 IonicContact OE2-NE 2.8Å; R238-D240 VanDerWaalsContact C-N 3.27Å; R238-D240 PolarHBondContact O-N 2.75Å; R238-A241 PolarHBondContact O-N 2.94Å; R238-V267 HydrophobicContact CG-CG2 4.36Å
239	E	87.3	Confident	90.8	Very high	119 Å²	119	33.1 Å²	33.1	56%	0.556	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-65	-16.7	176.3	56	-179.1	-142.8	0	0	115.5	R202 R217 S237	R202-E239 PolarHBondContact NH1-O 2.96Å; R202-E239 PolarHBondContact NH2-O 3.13Å; R217-E239 IonicContact CZ-OE1 3.2Å; R217-E239 VanDerWaalsContact CZ-OE1 3.26Å; R217-E239 IonicContact NH1-OE1 2.7Å; R217-E239 PolarHBondContact NH1-OE1 2.88Å; R217-E239 IonicContact NH2-OE1 3.29Å; R217-E239 PolarHBondContact NH2-OE1 3.26Å; S237-E239 PolarHBondContact O-N 2.86Å; S237-E239 WeakPolarHBondContact OG-CG 2.97Å; S237-E239 PolarHBondContact OG-OE1 3.46Å
240	D	89.4	Confident	90.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.011	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-86	-14.9	178.4	-60.1	-62.5	0	0	0	113.3	R217 Y218 V236 S237 R238 Y244 L263 I265	R217-D240 IonicContact CZ-OD1 3.86Å; R217-D240 IonicContact CZ-OD2 2.78Å; R217-D240 IonicContact NE-OD1 3.24Å; R217-D240 IonicContact NE-OD2 2.72Å; R217-D240 IonicContact NH2-OD1 3.13Å; R217-D240 PolarHBondContact NH2-OD1 2.87Å; R217-D240 IonicContact NH2-OD2 2.76Å; R217-D240 PolarHBondContact NH2-OD2 2.78Å; Y218-D240 WeakPolarHBondContact CE2-OD1 3.41Å; Y218-D240 PolarHBondContact OH-OD1 3.04Å; V236-D240 HydrophobicContact CG1-CB 4.49Å; S237-D240 PolarHBondContact N-OD2 2.58Å; S237-D240 WeakPolarHBondContact O-CB 3.44Å; S237-D240 PolarHBondContact O-N 2.6Å; S237-D240 PolarHBondContact OG-OD2 2.7Å; R238-D240 VanDerWaalsContact C-N 3.27Å; R238-D240 PolarHBondContact O-N 2.75Å; D240-Y244 WeakPolarHBondContact O-CE2 3.11Å; D240-Y244 PolarHBondContact O-OH 3.34Å; D240-L263 HydrophobicContact CB-CD2 4.44Å; D240-I265 HydrophobicContact CB-CD1 4.04Å
241	A	87.6	Confident	89.9	Confident	32 Å²	32	39.4 Å²	39.4	26%	0.264	21%	0.213	S	C	.	.			trans	-67.6	140.1	-172.9	0	0	0	0	0	113.7	R202 R238 I265	R202-A241 PolarHBondContact NE-O 2.86Å; R202-A241 PolarHBondContact NH2-O 2.99Å; R238-A241 PolarHBondContact O-N 2.94Å; A241-I265 HydrophobicContact CB-CD1 3.76Å; A241-I265 HydrophobicContact CB-CG1 3.95Å
242	G	89.2	Confident	89.2	Confident	17 Å²	17	44.1 Å²	44.1	18%	0.175	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	138.3	-161.2	174.4	0	0	0	0	0	114.3	Y244 L263	G242-Y244 WeakPolarHBondContact O-CD2 3.15Å; G242-L263 PolarHBondContact N-O 2.94Å; G242-L263 PolarHBondContact O-N 2.85Å
243	V	90.5	Very high	88.2	Confident	51 Å²	51	46.7 Å²	46.7	31%	0.309	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	134.3	-172.6	178	0	0	0	0	111.6	R202 Q260 T261 L262	R202-V243 VanDerWaalsContact CA-O 3.29Å; R202-V243 WeakPolarHBondContact CA-O 3.42Å; R202-V243 PolarHBondContact N-O 2.88Å; V243-Q260 HydrophobicContact CG1-CG 3.39Å; V243-T261 CarbonylContact C-O 3.57Å; V243-T261 WeakPolarHBondContact CA-O 2.98Å; V243-L262 HydrophobicContact CG2-CD1 4.47Å
244	Y	93.1	Very high	87.5	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.4	169.7	-67.5	-106	0	0	0	110	M186 R200 A201 Y218 L231 I233 D240 G242 Q260 T261 L263	M186-Y244 HydrophobicContact CE-CD1 3.79Å; M186-Y244 HydrophobicContact CE-CD2 4.1Å; M186-Y244 HydrophobicContact CE-CE1 3.95Å; M186-Y244 HydrophobicContact CE-CE2 4.29Å; M186-Y244 HydrophobicContact CE-CG 3.88Å; M186-Y244 HydrophobicContact SD-CD2 4.32Å; M186-Y244 HydrophobicContact SD-CG 4.3Å; R200-Y244 CarbonylContact O-C 3.58Å; R200-Y244 WeakPolarHBondContact O-CA 3.28Å; R200-Y244 WeakPolarHBondContact O-CB 3.04Å; A201-Y244 HydrophobicContact CB-CD1 3.64Å; A201-Y244 HydrophobicContact CB-CE1 3.39Å; Y218-Y244 HydrophobicContact CE1-CE1 4.13Å; Y218-Y244 PolarHBondContact OH-OH 3.14Å; L231-Y244 HydrophobicContact CD2-CD1 4.02Å; L231-Y244 HydrophobicContact CD2-CE1 4.34Å; I233-Y244 HydrophobicContact CD1-CE1 3.92Å; D240-Y244 WeakPolarHBondContact O-CE2 3.11Å; D240-Y244 PolarHBondContact O-OH 3.34Å; G242-Y244 WeakPolarHBondContact O-CD2 3.15Å; Y244-Q260 CarbonylContact O-C 3.57Å; Y244-Q260 VanDerWaalsContact O-CA 3.3Å; Y244-Q260 WeakPolarHBondContact O-CA 3.28Å; Y244-Q260 WeakPolarHBondContact O-CG 3.1Å; Y244-T261 PolarHBondContact N-O 2.89Å; Y244-T261 PolarHBondContact O-N 2.78Å; Y244-L263 HydrophobicContact CD2-CB 4.05Å; Y244-L263 HydrophobicContact CE2-CB 3.76Å; Y244-L263 HydrophobicContact CE2-CD2 3.95Å
245	E	92.8	Very high	86.9	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	127.2	175.9	171.8	-170	-93.7	0	0	111.2	Q152 W199 R200 Q247 R258 R259 Q260	Q152-E245 PolarHBondContact NE2-OE1 3.04Å; W199-E245 CarbonylContact C-O 3.48Å; R200-E245 HydrophobicContact CB-CB 4.16Å; R200-E245 IonicContact CZ-OE1 3.7Å; R200-E245 IonicContact CZ-OE2 2.69Å; R200-E245 PolarHBondContact N-O 3.18Å; R200-E245 IonicContact NE-OE1 2.87Å; R200-E245 IonicContact NE-OE2 3.6Å; R200-E245 PolarHBondContact NE-OE2 3.12Å; R200-E245 IonicContact NH2-OE1 2.68Å; R200-E245 PolarHBondContact NH2-OE1 2.81Å; R200-E245 IonicContact NH2-OE2 3.85Å; R200-E245 PolarHBondContact NH2-OE2 2.78Å; R200-E245 PolarHBondContact O-N 2.63Å; E245-Q247 HydrophobicContact CG-CG 4.15Å; E245-Q247 PolarHBondContact OE2-NE2 3.07Å; E245-R258 HydrophobicContact CG-CB 4.39Å; E245-R259 CarbonylContact C-O 3.43Å; E245-R259 VanDerWaalsContact CA-O 3.25Å; E245-R259 WeakPolarHBondContact CA-O 3.06Å; E245-Q260 HydrophobicContact CB-CB 4.4Å
246	C	93.1	Very high	86.7	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	140.8	168.7	-175.5	0	0	0	0	110.1	P172 C188 W199 R258 R259	P172-C246 HydrophobicContact CG-CB 4.07Å; C188-C246 HydrophobicContact CB-CB 3.56Å; C188-C246 WeakPolarHBondContact CB-SG 3.44Å; C188-C246 WeakPolarHBondContact SG-CB 3.25Å; C188-C246 CovalentContact SG-SG 2.02Å; C188-C246 PolarHBondContact SG-SG 2.69Å; W199-C246 HydrophobicContact CD2-CB 4.04Å; W199-C246 HydrophobicContact CE3-CB 4.22Å; W199-C246 HydrophobicContact CH2-CB 4.26Å; W199-C246 HydrophobicContact CZ2-CB 4.07Å; W199-C246 HydrophobicContact CZ3-CB 4.32Å; C246-R258 CarbonylContact O-C 3.51Å; C246-R258 VanDerWaalsContact O-CA 3.23Å; C246-R258 WeakPolarHBondContact O-CA 3.26Å; C246-R259 PolarHBondContact N-O 3.28Å; C246-R259 PolarHBondContact O-N 2.97Å
247	Q	92.2	Very high	86.7	Confident	25 Å²	25	48.2 Å²	48.2	12%	0.117	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.7	-178.1	-58	-176.4	-14.1	0	0	111.9	A197 Q198 E245 L257 R258	A197-Q247 CarbonylContact C-O 3.54Å; A197-Q247 VanDerWaalsContact CA-O 3.25Å; A197-Q247 WeakPolarHBondContact CA-O 3.16Å; Q198-Q247 HydrophobicContact CG-CB 4.02Å; Q198-Q247 PolarHBondContact N-O 3.28Å; Q198-Q247 PolarHBondContact O-N 2.63Å; E245-Q247 HydrophobicContact CG-CG 4.15Å; E245-Q247 PolarHBondContact OE2-NE2 3.07Å; Q247-L257 CarbonylContact C-O 3.34Å; Q247-L257 VanDerWaalsContact CA-O 3.3Å; Q247-L257 WeakPolarHBondContact CA-O 3.25Å; Q247-R258 HydrophobicContact CG-CG 4.25Å
248	V	90.3	Very high	86.6	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.7	171.9	-168.5	0	0	0	0	109.9	L168 V190 K196 A197 P256 L257	L168-V248 HydrophobicContact CD2-CG2 4.44Å; V190-V248 HydrophobicContact CG1-CG2 4.33Å; V190-V248 HydrophobicContact CG2-CG2 3.69Å; K196-V248 WeakPolarHBondContact O-CA 3.23Å; A197-V248 HydrophobicContact CB-CG2 4.05Å; V248-P256 WeakPolarHBondContact O-CA 3.22Å; V248-L257 HydrophobicContact CB-CB 3.91Å; V248-L257 HydrophobicContact CB-CD1 4.11Å; V248-L257 HydrophobicContact CB-CG 4.25Å; V248-L257 HydrophobicContact CG2-CB 3.98Å; V248-L257 HydrophobicContact CG2-CD1 4.01Å; V248-L257 HydrophobicContact CG2-CG 4.48Å; V248-L257 PolarHBondContact N-O 2.89Å; V248-L257 PolarHBondContact O-N 3.02Å
249	S	84.9	Confident	86.9	Confident	32 Å²	32	46.9 Å²	46.9	22%	0.224	29%	0.29	C	S	.	.			trans	-67	151.9	-176.9	81.4	0	0	0	0	112.7	Q166 G195 K196	Q166-S249 PolarHBondContact NE2-O 3.02Å; G195-S249 WeakPolarHBondContact CA-O 3.46Å; G195-S249 WeakPolarHBondContact CA-OG 3.09Å; K196-S249 PolarHBondContact N-OG 3.26Å; K196-S249 PolarHBondContact O-N 3.36Å
250	P	86.1	Confident	87	Confident	82 Å²	82	45.3 Å²	45.3	53%	0.532	28%	0.282	S	S	.	.			trans	-68.6	160.9	169.4	32.1	-34.3	0	0	0	111.1	Q254 P256	P250-Q254 WeakPolarHBondContact CA-O 3.26Å; P250-P256 HydrophobicContact CB-CB 4.42Å
251	V	80.1	Confident	87.1	Confident	63 Å²	63	45.5 Å²	45.5	38%	0.382	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-142	166.1	171.1	178.8	0	0	0	0	108.3	R194 G253 Q254	R194-V251 HydrophobicContact CB-CB 3.99Å; R194-V251 HydrophobicContact CB-CG1 4.15Å; R194-V251 HydrophobicContact CB-CG2 3.82Å; V251-G253 PolarHBondContact O-N 3.32Å; V251-Q254 HydrophobicContact CB-CB 4.09Å; V251-Q254 HydrophobicContact CB-CG 4.43Å; V251-Q254 PolarHBondContact N-O 3.3Å; V251-Q254 VanDerWaalsContact N-O 3.12Å; V251-Q254 WeakPolarHBondContact O-CA 3.48Å; V251-Q254 PolarHBondContact O-N 2.92Å; V251-Q254 VanDerWaalsContact O-O 3.06Å
252	A	78	Confident	87.3	Confident	100 Å²	100	46.7 Å²	46.7	83%	0.826	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	117	176.5	0	0	0	0	0	111.8
253	G	73.1	Confident	87.5	Confident	79 Å²	79	46 Å²	46	81%	0.814	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	18.3	-175.9	0	0	0	0	0	115.5	V251	V251-G253 PolarHBondContact O-N 3.32Å
254	Q	80.2	Confident	87.6	Confident	35 Å²	35	44.1 Å²	44.1	16%	0.164	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-140.3	120.1	-173.1	-62.8	-64.2	-46.4	0	0	111.9	Q166 R194 P250 V251	Q166-Q254 HydrophobicContact CG-CB 4.31Å; R194-Q254 HydrophobicContact CB-CG 4.49Å; R194-Q254 HydrophobicContact CG-CG 4.22Å; P250-Q254 WeakPolarHBondContact CA-O 3.26Å; V251-Q254 HydrophobicContact CB-CB 4.09Å; V251-Q254 HydrophobicContact CB-CG 4.43Å; V251-Q254 PolarHBondContact N-O 3.3Å; V251-Q254 VanDerWaalsContact N-O 3.12Å; V251-Q254 WeakPolarHBondContact O-CA 3.48Å; V251-Q254 PolarHBondContact O-N 2.92Å; V251-Q254 VanDerWaalsContact O-O 3.06Å
255	N	78.1	Confident	87.5	Confident	131 Å²	131	44.5 Å²	44.5	70%	0.701	27%	0.268	S	S	*	.			trans	-68.3	154.5	179.5	-73.8	-7.5	0	0	0	112.2	Q166	Q166-N255 PolarHBondContact NE2-O 2.57Å
256	P	86	Confident	87.3	Confident	58 Å²	58	44.5 Å²	44.5	38%	0.377	27%	0.268	S	S	.	.			trans	-69.3	153.6	169.2	32	-34.3	0	0	0	110.7	V248 P250	V248-P256 WeakPolarHBondContact O-CA 3.22Å; P250-P256 HydrophobicContact CB-CB 4.42Å
257	L	90	Very high	87.1	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.7	174.2	-52.7	168.6	0	0	0	110.2	S153 Q166 L168 V190 Q247 V248	S153-L257 VanDerWaalsContact OG-CA 3.28Å; S153-L257 WeakPolarHBondContact OG-CA 3.35Å; Q166-L257 HydrophobicContact CB-CD1 4.37Å; Q166-L257 HydrophobicContact CG-CD1 4.18Å; Q166-L257 HydrophobicContact CG-CG 4.47Å; L168-L257 HydrophobicContact CD2-CB 4.19Å; L168-L257 HydrophobicContact CD2-CD1 4.03Å; L168-L257 HydrophobicContact CG-CB 4.19Å; L168-L257 HydrophobicContact CG-CD1 4.18Å; V190-L257 HydrophobicContact CG1-CD1 3.99Å; Q247-L257 CarbonylContact C-O 3.34Å; Q247-L257 VanDerWaalsContact CA-O 3.3Å; Q247-L257 WeakPolarHBondContact CA-O 3.25Å; V248-L257 HydrophobicContact CB-CB 3.91Å; V248-L257 HydrophobicContact CB-CD1 4.11Å; V248-L257 HydrophobicContact CB-CG 4.25Å; V248-L257 HydrophobicContact CG2-CB 3.98Å; V248-L257 HydrophobicContact CG2-CD1 4.01Å; V248-L257 HydrophobicContact CG2-CG 4.48Å; V248-L257 PolarHBondContact N-O 2.89Å; V248-L257 PolarHBondContact O-N 3.02Å
258	R	89.7	Confident	86.8	Confident	91 Å²	91	48.3 Å²	48.3	34%	0.343	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	136.7	177.6	-58.2	-178.2	-177.7	-175.3	4.5	111.1	V150 Q152 S153 E245 C246 Q247	V150-R258 HydrophobicContact CG1-CB 4.41Å; V150-R258 HydrophobicContact CG1-CG 4.47Å; Q152-R258 CarbonylContact C-O 3.41Å; S153-R258 WeakPolarHBondContact CB-O 3.1Å; S153-R258 PolarHBondContact N-O 2.6Å; S153-R258 PolarHBondContact OG-N 3.37Å; S153-R258 PolarHBondContact OG-O 2.93Å; E245-R258 HydrophobicContact CG-CB 4.39Å; C246-R258 CarbonylContact O-C 3.51Å; C246-R258 VanDerWaalsContact O-CA 3.23Å; C246-R258 WeakPolarHBondContact O-CA 3.26Å; Q247-R258 HydrophobicContact CG-CG 4.25Å
259	R	92.3	Very high	86.6	Confident	49 Å²	49	48.6 Å²	48.6	19%	0.185	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	121.4	174.6	-177	66.6	-176.6	-160.1	7	112.9	Q152 L168 L171 P172 E174 E245 C246	Q152-R259 VanDerWaalsContact OE1-CA 3.27Å; L168-R259 HydrophobicContact CD1-CB 3.73Å; L171-R259 HydrophobicContact CB-CG 4.32Å; L171-R259 HydrophobicContact CD2-CB 4.38Å; L171-R259 HydrophobicContact CD2-CG 3.99Å; P172-R259 HydrophobicContact CG-CB 4.36Å; P172-R259 HydrophobicContact CG-CG 4.19Å; E174-R259 IonicContact OE1-NH2 3.64Å; E174-R259 PolarHBondContact OE1-NH2 3.13Å; E245-R259 CarbonylContact C-O 3.43Å; E245-R259 VanDerWaalsContact CA-O 3.25Å; E245-R259 WeakPolarHBondContact CA-O 3.06Å; C246-R259 PolarHBondContact N-O 3.28Å; C246-R259 PolarHBondContact O-N 2.97Å
260	Q	89.8	Confident	86.6	Confident	86 Å²	86	51.4 Å²	51.4	40%	0.402	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	153.7	-177.8	-164.1	169.1	-80.9	0	0	113.9	V243 Y244 E245	V243-Q260 HydrophobicContact CG1-CG 3.39Å; Y244-Q260 CarbonylContact O-C 3.57Å; Y244-Q260 VanDerWaalsContact O-CA 3.3Å; Y244-Q260 WeakPolarHBondContact O-CA 3.28Å; Y244-Q260 WeakPolarHBondContact O-CG 3.1Å; E245-Q260 HydrophobicContact CB-CB 4.4Å
261	T	92.4	Very high	86.6	Confident	6 Å²	6	53.5 Å²	53.5	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	165.1	178.2	179.7	0	0	0	0	111.2	P172 A173 Y176 M186 W199 V243 Y244	P172-T261 HydrophobicContact CB-CG2 4.02Å; A173-T261 WeakPolarHBondContact O-CB 3.18Å; A173-T261 PolarHBondContact O-OG1 2.86Å; Y176-T261 WeakPolarHBondContact CD2-OG1 3.41Å; Y176-T261 HydrophobicContact CE2-CG2 4.47Å; Y176-T261 WeakPolarHBondContact CE2-OG1 3.29Å; M186-T261 HydrophobicContact SD-CG2 4.26Å; W199-T261 HydrophobicContact CZ3-CG2 3.93Å; V243-T261 CarbonylContact C-O 3.57Å; V243-T261 WeakPolarHBondContact CA-O 2.98Å; Y244-T261 PolarHBondContact N-O 2.89Å; Y244-T261 PolarHBondContact O-N 2.78Å
262	L	91.9	Very high	87	Confident	57 Å²	57	50.8 Å²	50.8	30%	0.298	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.7	178.7	175.2	65.2	0	0	0	112	E174 R175 Y176 V243 V264	E174-L262 PolarHBondContact O-N 3.39Å; R175-L262 CarbonylContact C-O 3.59Å; R175-L262 VanDerWaalsContact CA-O 3.28Å; R175-L262 WeakPolarHBondContact CA-O 3.17Å; Y176-L262 PolarHBondContact N-O 2.96Å; V243-L262 HydrophobicContact CG2-CD1 4.47Å; L262-V264 HydrophobicContact CD2-CG2 4.04Å; L262-V264 HydrophobicContact CG-CG2 3.92Å
263	L	93.5	Very high	87.7	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.7	171.1	-179	59.5	0	0	0	111.1	V184 I233 D240 G242 Y244	V184-L263 HydrophobicContact CB-CD1 4.41Å; V184-L263 HydrophobicContact CG1-CD1 4.21Å; V184-L263 HydrophobicContact CG1-CD2 4.2Å; V184-L263 HydrophobicContact CG2-CD1 4.06Å; I233-L263 HydrophobicContact CD1-CD2 4.22Å; D240-L263 HydrophobicContact CB-CD2 4.44Å; G242-L263 PolarHBondContact N-O 2.94Å; G242-L263 PolarHBondContact O-N 2.85Å; Y244-L263 HydrophobicContact CD2-CB 4.05Å; Y244-L263 HydrophobicContact CE2-CB 3.76Å; Y244-L263 HydrophobicContact CE2-CD2 3.95Å
264	V	91.7	Very high	88.5	Confident	13 Å²	13	46.6 Å²	46.6	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.5	-179.4	-178.9	0	0	0	0	109.8	R175 Y176 E177 V178 L262 Y316	R175-V264 HydrophobicContact CG-CG2 3.82Å; Y176-V264 PolarHBondContact O-N 2.91Å; E177-V264 WeakPolarHBondContact CA-O 3.41Å; E177-V264 HydrophobicContact CG-CB 4.3Å; V178-V264 PolarHBondContact N-O 3.04Å; V178-V264 VanDerWaalsContact N-O 3.08Å; L262-V264 HydrophobicContact CD2-CG2 4.04Å; L262-V264 HydrophobicContact CG-CG2 3.92Å; V264-Y316 HydrophobicContact CG1-CE1 3.7Å
265	I	90.8	Very high	88.9	Confident	9 Å²	9	47.1 Å²	47.1	5%	0.046	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.8	-170.8	-57.5	178.3	0	0	0	110.3	V178 E180 V236 S237 D240 A241 Y316	V178-I265 CarbonylContact O-C 3.43Å; V178-I265 WeakPolarHBondContact O-CA 3.41Å; E180-I265 HydrophobicContact CB-CG2 4.09Å; V236-I265 HydrophobicContact CG1-CD1 3.42Å; V236-I265 VanDerWaalsContact CG1-CD1 3.42Å; V236-I265 HydrophobicContact CG1-CG1 3.71Å; V236-I265 HydrophobicContact CG1-CG2 4.42Å; S237-I265 WeakPolarHBondContact O-CD1 3.47Å; D240-I265 HydrophobicContact CB-CD1 4.04Å; A241-I265 HydrophobicContact CB-CD1 3.76Å; A241-I265 HydrophobicContact CB-CG1 3.95Å; I265-Y316 WeakPolarHBondContact O-CD1 3.28Å
266	L	89.5	Confident	89.2	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.8	-174	-59.5	-178.9	0	0	0	110.5	E177 V178 L179 E180 Y316 K378 A379	E177-L266 HydrophobicContact CB-CD1 4.25Å; V178-L266 PolarHBondContact O-N 2.85Å; L179-L266 WeakPolarHBondContact CA-O 3.46Å; L179-L266 HydrophobicContact CD2-CB 4.02Å; E180-L266 PolarHBondContact N-O 2.76Å; L266-Y316 WeakPolarHBondContact CA-O 3.32Å; L266-Y316 HydrophobicContact CD2-CD1 4.45Å; L266-K378 HydrophobicContact CD1-CB 4.48Å; L266-K378 HydrophobicContact CD1-CD 4.34Å; L266-K378 HydrophobicContact CD1-CG 4.22Å; L266-K378 HydrophobicContact CD2-CB 4.39Å; L266-K378 HydrophobicContact CD2-CD 4.28Å; L266-A379 HydrophobicContact CB-CB 3.97Å
267	V	88.2	Confident	88.6	Confident	13 Å²	13	41.4 Å²	41.4	8%	0.079	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-128.2	130.9	-171.4	-175.2	0	0	0	0	110.8	E180 R238 G315 Y316 N377 A379	E180-V267 HydrophobicContact CB-CG2 4.17Å; E180-V267 WeakPolarHBondContact OE2-CG1 3.48Å; E180-V267 WeakPolarHBondContact OE2-CG2 3.41Å; R238-V267 HydrophobicContact CG-CG2 4.36Å; V267-G315 CarbonylContact O-C 3.48Å; V267-G315 VanDerWaalsContact O-CA 3.24Å; V267-G315 WeakPolarHBondContact O-CA 3.26Å; V267-Y316 PolarHBondContact N-O 3.15Å; V267-Y316 PolarHBondContact O-N 2.89Å; V267-N377 PolarHBondContact O-ND2 3.19Å; V267-A379 WeakPolarHBondContact O-CB 3.47Å
268	K	86.6	Confident	87	Confident	92 Å²	92	44.4 Å²	44.4	40%	0.4	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-70.8	140.5	177.7	-65.8	-178.1	-178.3	175.4	0	111	A379 T380 E388	K268-A379 HydrophobicContact CG-CB 4.01Å; K268-T380 HydrophobicContact CG-CG2 4.44Å; K268-E388 IonicContact NZ-OE2 2.79Å; K268-E388 PolarHBondContact NZ-OE2 2.93Å
269	P	86.4	Confident	85.1	Confident	11 Å²	11	43.7 Å²	43.7	7%	0.071	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-73.6	165.4	173.8	32.8	-34	0	0	0	111.6	G314 P319 V375 T380 L391	P269-G314 WeakPolarHBondContact CA-O 3.37Å; P269-G314 WeakPolarHBondContact CB-O 3.32Å; P269-P319 HydrophobicContact CB-CB 4.25Å; P269-V375 HydrophobicContact CG-CG1 4.16Å; P269-T380 VanDerWaalsContact CD-CG2 3.42Å; P269-T380 HydrophobicContact CG-CG2 3.91Å; P269-L391 HydrophobicContact CG-CD1 4.01Å; P269-L391 WeakPolarHBondContact O-CD1 3.39Å
270	K	84	Confident	83.8	Confident	92 Å²	92	44 Å²	44	40%	0.4	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-74.4	152.7	171	-68.9	169.5	-173.2	160.7	0	111	K313	K270-K313 WeakPolarHBondContact CB-O 3.42Å; K270-K313 HydrophobicContact CD-CB 4.2Å; K270-K313 WeakPolarHBondContact CG-O 3.25Å; K270-K313 PolarHBondContact N-O 3.01Å
271	I	86.3	Confident	82.8	Confident	126 Å²	126	42.7 Å²	42.7	65%	0.646	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-54.2	132.7	174.8	-59.7	173.7	0	0	0	109.6
272	P	89.7	Confident	82.3	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.032	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-69.2	157.2	-177.5	25.1	-33	0	0	0	113.7	Q311 A312 V375 L391 A393	P272-Q311 CarbonylContact C-O 2.96Å; P272-Q311 VanDerWaalsContact CA-O 3.28Å; P272-Q311 WeakPolarHBondContact CA-O 3.06Å; P272-A312 HydrophobicContact CB-CB 4.25Å; P272-V375 HydrophobicContact CB-CG2 3.83Å; P272-V375 HydrophobicContact CG-CB 4.33Å; P272-V375 HydrophobicContact CG-CG2 3.97Å; P272-L391 HydrophobicContact CG-CB 4.44Å; P272-A393 HydrophobicContact CB-CB 4.21Å; P272-A393 HydrophobicContact CG-CB 4.02Å
273	T	90.7	Very high	81.8	Confident	74 Å²	74	45.8 Å²	45.8	45%	0.454	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.6	168.1	57.1	0	0	0	0	111	C310 Q311	T273-C310 CarbonylContact O-C 2.79Å; T273-C310 WeakPolarHBondContact O-CA 3.43Å; T273-Q311 PolarHBondContact N-O 3.45Å; T273-Q311 PolarHBondContact O-N 2.89Å
274	I	91	Very high	81	Confident	17 Å²	17	48.3 Å²	48.3	9%	0.087	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.1	175.2	-63.8	166.2	0	0	0	108.7	L308 I309 W323 C373 A393 V395	I274-L308 HydrophobicContact CG2-CB 4.49Å; I274-I309 WeakPolarHBondContact CA-O 3.31Å; I274-W323 HydrophobicContact CD1-CZ3 3.94Å; I274-W323 HydrophobicContact CG1-CH2 4.11Å; I274-W323 HydrophobicContact CG1-CZ3 4Å; I274-W323 HydrophobicContact CG2-CH2 4.23Å; I274-W323 HydrophobicContact CG2-CZ3 4.49Å; I274-C373 HydrophobicContact CD1-CB 4.18Å; I274-C373 HydrophobicContact CG1-CB 4.2Å; I274-A393 HydrophobicContact CD1-CB 4Å; I274-A393 HydrophobicContact CG1-CB 3.98Å; I274-V395 HydrophobicContact CB-CG2 3.98Å; I274-V395 HydrophobicContact CD1-CG2 4.08Å; I274-V395 HydrophobicContact CG2-CG2 3.87Å
275	V	89	Confident	80.1	Confident	46 Å²	46	55.3 Å²	55.3	28%	0.279	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158.5	179.8	-59.4	0	0	0	0	111.8	I309	V275-I309 HydrophobicContact CG2-CB 3.97Å; V275-I309 HydrophobicContact CG2-CG2 4.45Å; V275-I309 PolarHBondContact N-O 2.8Å; V275-I309 PolarHBondContact O-N 2.7Å
276	T	82.9	Confident	79.4	Confident	6 Å²	6	59.7 Å²	59.7	4%	0.037	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	165	176	62.7	0	0	0	0	112	V280 P281 Q282 L289 L308	T276-V280 HydrophobicContact CG2-CG1 4.16Å; T276-V280 PolarHBondContact OG1-O 3.2Å; T276-P281 WeakPolarHBondContact CG2-O 3.39Å; T276-P281 PolarHBondContact OG1-O 3.2Å; T276-Q282 PolarHBondContact O-NE2 2.88Å; T276-Q282 PolarHBondContact OG1-NE2 3.1Å; T276-Q282 VanDerWaalsContact OG1-NE2 3.08Å; T276-Q282 PolarHBondContact OG1-OE1 2.98Å; T276-L289 HydrophobicContact CG2-CD1 3.99Å; T276-L289 HydrophobicContact CG2-CD2 4.12Å; T276-L308 HydrophobicContact CG2-CD2 3.78Å
277	L	74.3	Confident	78.8	Confident	63 Å²	63	60.8 Å²	60.8	33%	0.33	36%	0.362	S	S	.	.			trans	-67.7	150	177.3	-71.5	175.4	0	0	0	112.6	G279 V280 K307 I309	L277-G279 PolarHBondContact O-N 2.86Å; L277-V280 HydrophobicContact CB-CG2 4.47Å; L277-V280 WeakPolarHBondContact O-CB 3.22Å; L277-V280 PolarHBondContact O-N 2.66Å; L277-K307 HydrophobicContact CD1-CB 3.91Å; L277-K307 HydrophobicContact CD1-CD 3.75Å; L277-K307 HydrophobicContact CD1-CG 4.48Å; L277-K307 HydrophobicContact CG-CB 4.39Å; L277-I309 HydrophobicContact CD2-CD1 3.99Å
278	P	56.5	Low	78.6	Confident	74 Å²	74	63.9 Å²	63.9	48%	0.481	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	123.4	174.1	-24.1	34.1	0	0	0	111.8	I4	I4-P278 HydrophobicContact CG1-CB 4.32Å
279	G	49.2	Very low	78.5	Confident	75 Å²	75	59.5 Å²	59.5	77%	0.773	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.2	-10.8	-173.9	0	0	0	0	0	114.6	L277	L277-G279 PolarHBondContact O-N 2.86Å
280	V	66.1	Low	78.3	Confident	56 Å²	56	62 Å²	62	34%	0.339	37%	0.368	S	S	.	.	S	Bend	trans	-97.6	146.1	166.5	-175.4	0	0	0	0	108.5	T276 L277 Q282 L306	T276-V280 HydrophobicContact CG2-CG1 4.16Å; T276-V280 PolarHBondContact OG1-O 3.2Å; L277-V280 HydrophobicContact CB-CG2 4.47Å; L277-V280 WeakPolarHBondContact O-CB 3.22Å; L277-V280 PolarHBondContact O-N 2.66Å; V280-Q282 PolarHBondContact O-N 3.48Å; V280-L306 HydrophobicContact CG1-CD1 4.18Å
281	P	69.3	Low	77.8	Confident	59 Å²	59	58.1 Å²	58.1	38%	0.383	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-52.6	138.2	169.4	-27.5	36.4	0	0	0	111.5	T276 L289	T276-P281 WeakPolarHBondContact CG2-O 3.39Å; T276-P281 PolarHBondContact OG1-O 3.2Å; P281-L289 HydrophobicContact CB-CD1 4.41Å; P281-L289 WeakPolarHBondContact O-CD1 3.26Å
282	Q	80.2	Confident	77	Confident	93 Å²	93	54 Å²	54	44%	0.435	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-83.9	155.4	173.4	-66.2	-65.2	-28	0	0	110.2	T276 V280 S284	T276-Q282 PolarHBondContact O-NE2 2.88Å; T276-Q282 PolarHBondContact OG1-NE2 3.1Å; T276-Q282 VanDerWaalsContact OG1-NE2 3.08Å; T276-Q282 PolarHBondContact OG1-OE1 2.98Å; V280-Q282 PolarHBondContact O-N 3.48Å; Q282-S284 PolarHBondContact O-N 3.18Å
283	P	82	Confident	75.9	Confident	35 Å²	35	57.3 Å²	57.3	23%	0.227	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-59.5	130	169.9	-20.2	33.8	0	0	0	110	V395	P283-V395 HydrophobicContact CB-CG1 4.45Å; P283-V395 HydrophobicContact CB-CG2 4.04Å; P283-V395 HydrophobicContact CG-CG2 4.04Å
284	S	77	Confident	74.4	Confident	53 Å²	53	57.5 Å²	57.5	37%	0.371	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-76.4	164.4	177.9	60	0	0	0	0	111.7	Q282 N286 G287 Q288	Q282-S284 PolarHBondContact O-N 3.18Å; S284-N286 PolarHBondContact O-N 3.06Å; S284-N286 PolarHBondContact OG-OD1 2.8Å; S284-G287 PolarHBondContact O-N 3.36Å; S284-Q288 PolarHBondContact N-O 2.68Å; S284-Q288 PolarHBondContact OG-O 3.25Å
285	T	73.5	Confident	72.6	Confident	161 Å²	161	59.6 Å²	59.6	99%	0.988	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.2	-173.8	49.5	0	0	0	0	114.9
286	N	75.9	Confident	70.8	Confident	101 Å²	101	62.6 Å²	62.6	54%	0.54	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	2.9	173.9	72.1	12	0	0	0	113.7	S284 Q288	S284-N286 PolarHBondContact O-N 3.06Å; S284-N286 PolarHBondContact OG-OD1 2.8Å; N286-Q288 VanDerWaalsContact ND2-CD 3.34Å; N286-Q288 PolarHBondContact ND2-OE1 3.43Å; N286-Q288 WeakPolarHBondContact OD1-CB 3.38Å; N286-Q288 WeakPolarHBondContact OD1-CG 3.33Å; N286-Q288 PolarHBondContact OD1-N 3.29Å
287	G	76.7	Confident	68.6	Low	24 Å²	24	71.7 Å²	71.7	25%	0.247	42%	0.419	C	S	.	.	S	Bend	trans	87.8	3.7	-178	0	0	0	0	0	115.8	S284 V395 M396	S284-G287 PolarHBondContact O-N 3.36Å; G287-V395 CarbonylContact O-C 3.46Å; G287-V395 WeakPolarHBondContact O-CA 3.22Å; G287-M396 PolarHBondContact O-N 2.87Å
288	Q	83.4	Confident	67	Low	78 Å²	78	75 Å²	75	36%	0.364	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137	179.9	-64.2	167.4	1.8	0	0	112.5	S284 N286 M396 V398	S284-Q288 PolarHBondContact N-O 2.68Å; S284-Q288 PolarHBondContact OG-O 3.25Å; N286-Q288 VanDerWaalsContact ND2-CD 3.34Å; N286-Q288 PolarHBondContact ND2-OE1 3.43Å; N286-Q288 WeakPolarHBondContact OD1-CB 3.38Å; N286-Q288 WeakPolarHBondContact OD1-CG 3.33Å; N286-Q288 PolarHBondContact OD1-N 3.29Å; Q288-M396 CarbonylContact C-O 3.58Å; Q288-M396 WeakPolarHBondContact CA-O 3.37Å; Q288-V398 HydrophobicContact CB-CG2 4.22Å; Q288-V398 HydrophobicContact CG-CG2 4.32Å
289	L	85.5	Confident	65.9	Low	1 Å²	1	77.2 Å²	77.2	1%	0.005	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.1	173.7	174.1	62.1	0	0	0	110.2	T276 P281 V291 L306 L308 V395 M396 I397 V398	T276-L289 HydrophobicContact CG2-CD1 3.99Å; T276-L289 HydrophobicContact CG2-CD2 4.12Å; P281-L289 HydrophobicContact CB-CD1 4.41Å; P281-L289 WeakPolarHBondContact O-CD1 3.26Å; L289-V291 HydrophobicContact CG-CG2 4.45Å; L289-L306 HydrophobicContact CD2-CD1 4.49Å; L289-L306 HydrophobicContact CD2-CD2 4.17Å; L289-L308 HydrophobicContact CD2-CD2 3.88Å; L289-V395 HydrophobicContact CB-CG1 3.45Å; L289-V395 VanDerWaalsContact CB-CG1 3.45Å; L289-V395 HydrophobicContact CD2-CG1 4.18Å; L289-V395 HydrophobicContact CG-CG1 4.47Å; L289-M396 PolarHBondContact N-O 2.82Å; L289-I397 HydrophobicContact CB-CD1 4.43Å; L289-I397 HydrophobicContact CD2-CD1 4.07Å; L289-V398 PolarHBondContact O-N 3.19Å
290	I	80.3	Confident	65.4	Low	62 Å²	62	78.8 Å²	78.8	32%	0.318	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.6	179.7	-61.9	172.5	0	0	0	110.1	V398 V517	I290-V398 CarbonylContact C-O 3.35Å; I290-V398 WeakPolarHBondContact CA-O 3.11Å; I290-V517 HydrophobicContact CG2-CG1 4.1Å; I290-V517 HydrophobicContact CG2-CG2 3.96Å
291	V	74.9	Confident	63.9	Low	11 Å²	11	84.4 Å²	84.4	7%	0.067	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.3	178.1	-177.3	0	0	0	0	109.2	L289 L306 K362 I397 V398 I399 H400	L289-V291 HydrophobicContact CG-CG2 4.45Å; V291-L306 HydrophobicContact CG2-CD2 4.35Å; V291-K362 HydrophobicContact CG1-CG 4.41Å; V291-I397 HydrophobicContact CG2-CG2 3.99Å; V291-V398 PolarHBondContact N-O 3.2Å; V291-I399 WeakPolarHBondContact O-CA 3.32Å; V291-H400 PolarHBondContact O-N 3.05Å
292	A	68.6	Low	62.7	Low	39 Å²	39	86.5 Å²	86.5	32%	0.322	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.4	173.8	0	0	0	0	0	111.1	V517	A292-V517 HydrophobicContact CB-CB 4.38Å; A292-V517 HydrophobicContact CB-CG1 3.92Å
293	F	66.8	Low	61.3	Low	76 Å²	76	87.1 Å²	87.1	33%	0.333	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.9	176.2	-159.6	-79.3	0	0	0	110.3	I399 H400	F293-I399 HydrophobicContact CB-CG2 3.64Å; F293-I399 HydrophobicContact CG-CG2 4.41Å; F293-H400 PolarHBondContact N-O 3.15Å
294	D	59.9	Low	60.3	Low	77 Å²	77	90.6 Å²	90.6	41%	0.412	50%	0.502	S	S	.	.			trans	-91.2	121.1	173.8	-169.8	-18.9	0	0	0	109.3	N296	D294-N296 VanDerWaalsContact C-N 3.3Å; D294-N296 PolarHBondContact O-N 2.71Å; D294-N296 PolarHBondContact OD1-N 3.29Å
295	S	53.5	Low	60.1	Low	61 Å²	61	90.3 Å²	90.3	43%	0.427	50%	0.499	S	S	.	.			trans	-75.3	-15.5	-179.5	47.6	0	0	0	0	113.9	K297	S295-K297 PolarHBondContact O-N 3.34Å; S295-K297 VanDerWaalsContact O-N 3.15Å
296	N	49.7	Very low	60.4	Low	109 Å²	109	82.9 Å²	82.9	58%	0.583	45%	0.453	S	S	*	.			trans	-84.8	88.7	-176.4	-85.4	-22.5	0	0	0	112.7	D294 T298	D294-N296 VanDerWaalsContact C-N 3.3Å; D294-N296 PolarHBondContact O-N 2.71Å; D294-N296 PolarHBondContact OD1-N 3.29Å; N296-T298 PolarHBondContact O-N 2.89Å
297	K	38.3	Very low	60.9	Low	198 Å²	198	80.8 Å²	80.8	86%	0.861	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	82.2	176	-67.5	-177.4	177.1	179.8	0	113.8	S295	S295-K297 PolarHBondContact O-N 3.34Å; S295-K297 VanDerWaalsContact O-N 3.15Å
298	T	39.4	Very low	61.4	Low	131 Å²	131	79.6 Å²	79.6	80%	0.804	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140	-17.6	165.3	46.6	0	0	0	0	116.2	N296	N296-T298 PolarHBondContact O-N 2.89Å
299	N	34.5	Very low	61.7	Low	122 Å²	122	77.1 Å²	77.1	65%	0.652	42%	0.416	S	S	*	.			trans	-123.4	103	-164.8	-141.2	-5.9	0	0	0	113.6	M301	N299-M301 PolarHBondContact O-N 2.86Å
300	P	38.4	Very low	62	Low	107 Å²	107	77.1 Å²	77.1	70%	0.695	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-63	-22.3	-176.6	-24.8	35	0	0	0	115.3	N302 N303	P300-N302 PolarHBondContact O-N 2.96Å; P300-N303 PolarHBondContact O-N 2.97Å
301	M	34.7	Very low	62.4	Low	175 Å²	175	76.5 Å²	76.5	86%	0.862	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-70.7	-5.4	-175	-77.9	-173.2	162.1	0	0	115.4	N299	N299-M301 PolarHBondContact O-N 2.86Å
302	N	42.8	Very low	62.9	Low	103 Å²	103	76 Å²	76	55%	0.551	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-98.7	-0.1	177.2	-149.2	8.2	0	0	0	113.6	P300 N304	P300-N302 PolarHBondContact O-N 2.96Å; N302-N304 PolarHBondContact O-N 3.33Å
303	N	50.9	Low	63.6	Low	105 Å²	105	79.1 Å²	79.1	56%	0.561	42%	0.415	S	S	*	.			trans	-76.7	41.4	178.1	-85.4	14.5	0	0	0	113.5	P300 P305	P300-N303 PolarHBondContact O-N 2.97Å; N303-P305 WeakPolarHBondContact O-CD 3.44Å
304	N	61.1	Low	64	Low	109 Å²	109	77 Å²	77	58%	0.583	42%	0.415	S	S	*	.			trans	-63.2	120.2	169.6	-76.9	-8.9	0	0	0	109	N302 K362	N302-N304 PolarHBondContact O-N 3.33Å; N304-K362 WeakPolarHBondContact O-CD 3.42Å; N304-K362 WeakPolarHBondContact O-CE 3.44Å; N304-K362 PolarHBondContact O-NZ 2.67Å
305	P	73.8	Confident	64.9	Low	46 Å²	46	74.2 Å²	74.2	30%	0.299	40%	0.404	S	S	.	.			trans	-66.5	159.1	-178.4	28	-35.4	0	0	0	112	N303 K307 E359 I360	N303-P305 WeakPolarHBondContact O-CD 3.44Å; P305-K307 PolarHBondContact O-N 2.76Å; P305-E359 HydrophobicContact CB-CG 3.78Å; P305-E359 HydrophobicContact CG-CG 3.6Å; P305-E359 WeakPolarHBondContact CG-OE1 3.47Å; P305-I360 CarbonylContact C-O 3.54Å; P305-I360 WeakPolarHBondContact CB-O 3.48Å
306	L	79.5	Confident	66.2	Low	6 Å²	6	77 Å²	77	3%	0.031	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.3	174.2	-177.1	65.6	0	0	0	109.2	V280 L289 V291 L308 I360 K362 L365 I397	V280-L306 HydrophobicContact CG1-CD1 4.18Å; L289-L306 HydrophobicContact CD2-CD1 4.49Å; L289-L306 HydrophobicContact CD2-CD2 4.17Å; V291-L306 HydrophobicContact CG2-CD2 4.35Å; L306-L308 HydrophobicContact CD1-CD2 4.16Å; L306-L308 HydrophobicContact CD2-CD1 4.38Å; L306-L308 HydrophobicContact CD2-CD2 4.07Å; L306-L308 HydrophobicContact CD2-CG 4.34Å; L306-L308 HydrophobicContact CG-CD2 3.87Å; L306-L308 HydrophobicContact CG-CG 4.13Å; L306-I360 PolarHBondContact N-O 2.85Å; L306-I360 PolarHBondContact O-N 3.09Å; L306-K362 HydrophobicContact CB-CG 4.29Å; L306-L365 HydrophobicContact CD2-CD1 3.62Å; L306-I397 HydrophobicContact CD2-CD1 4.31Å
307	K	85.5	Confident	67.7	Low	56 Å²	56	72.3 Å²	72.3	24%	0.243	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.3	172.5	-73	173	167.6	-68.8	0	110.5	L277 P305 E357 L358 E359	L277-K307 HydrophobicContact CD1-CB 3.91Å; L277-K307 HydrophobicContact CD1-CD 3.75Å; L277-K307 HydrophobicContact CD1-CG 4.48Å; L277-K307 HydrophobicContact CG-CB 4.39Å; P305-K307 PolarHBondContact O-N 2.76Å; K307-E357 VanDerWaalsContact CD-OE1 3.26Å; K307-E357 WeakPolarHBondContact CD-OE1 3.08Å; K307-E357 IonicContact NZ-OE1 3.22Å; K307-E357 PolarHBondContact NZ-OE1 3.26Å; K307-L358 CarbonylContact C-O 3.48Å; K307-L358 WeakPolarHBondContact CA-O 3.45Å; K307-E359 VanDerWaalsContact CE-CD 3.48Å; K307-E359 WeakPolarHBondContact CE-OE1 3.47Å; K307-E359 HydrophobicContact CG-CB 4.34Å; K307-E359 HydrophobicContact CG-CG 4.01Å; K307-E359 IonicContact NZ-OE1 2.7Å; K307-E359 PolarHBondContact NZ-OE1 2.89Å; K307-E359 IonicContact NZ-OE2 2.82Å; K307-E359 PolarHBondContact NZ-OE2 3.28Å
308	L	88.7	Confident	69.6	Low	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.3	177.8	-57.3	-179.7	0	0	0	108.9	I274 T276 L289 L306 W323 L358 I371	I274-L308 HydrophobicContact CG2-CB 4.49Å; T276-L308 HydrophobicContact CG2-CD2 3.78Å; L289-L308 HydrophobicContact CD2-CD2 3.88Å; L306-L308 HydrophobicContact CD1-CD2 4.16Å; L306-L308 HydrophobicContact CD2-CD1 4.38Å; L306-L308 HydrophobicContact CD2-CD2 4.07Å; L306-L308 HydrophobicContact CD2-CG 4.34Å; L306-L308 HydrophobicContact CG-CD2 3.87Å; L306-L308 HydrophobicContact CG-CG 4.13Å; L308-W323 HydrophobicContact CB-CH2 3.91Å; L308-W323 HydrophobicContact CB-CZ2 4.44Å; L308-L358 HydrophobicContact CD1-CD2 4.43Å; L308-L358 PolarHBondContact N-O 2.8Å; L308-L358 PolarHBondContact O-N 2.69Å; L308-I371 HydrophobicContact CD1-CB 4.33Å; L308-I371 HydrophobicContact CD1-CG1 4.16Å; L308-I371 HydrophobicContact CD1-CG2 3.89Å
309	I	90.1	Very high	71.6	Confident	26 Å²	26	59.6 Å²	59.6	13%	0.133	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.5	179.6	-58.8	167.1	0	0	0	108.4	I274 V275 L277 Q355 E357	I274-I309 WeakPolarHBondContact CA-O 3.31Å; V275-I309 HydrophobicContact CG2-CB 3.97Å; V275-I309 HydrophobicContact CG2-CG2 4.45Å; V275-I309 PolarHBondContact N-O 2.8Å; V275-I309 PolarHBondContact O-N 2.7Å; L277-I309 HydrophobicContact CD2-CD1 3.99Å; I309-Q355 HydrophobicContact CG2-CB 4.09Å; I309-E357 HydrophobicContact CG1-CG 4.31Å
310	C	90.5	Very high	74	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.5	168.4	-174.9	0	0	0	0	108.5	T273 F321 W323 Q355 F356 C373	T273-C310 CarbonylContact O-C 2.79Å; T273-C310 WeakPolarHBondContact O-CA 3.43Å; C310-F321 HydrophobicContact CB-CD1 4.5Å; C310-W323 HydrophobicContact CB-CH2 3.67Å; C310-W323 HydrophobicContact CB-CZ2 3.4Å; C310-W323 VanDerWaalsContact CB-CZ2 3.4Å; C310-W323 HydrophobicContact CB-CZ3 4.37Å; C310-W323 VanDerWaalsContact N-CZ2 3.3Å; C310-Q355 CarbonylContact O-C 3.56Å; C310-Q355 VanDerWaalsContact O-CA 3.3Å; C310-Q355 WeakPolarHBondContact O-CA 3.29Å; C310-F356 PolarHBondContact N-O 2.82Å; C310-F356 PolarHBondContact O-N 3.13Å; C310-C373 HydrophobicContact CB-CB 3.74Å; C310-C373 WeakPolarHBondContact CB-SG 3.37Å; C310-C373 WeakPolarHBondContact SG-CB 3.42Å; C310-C373 CovalentContact SG-SG 2.04Å; C310-C373 PolarHBondContact SG-SG 2.89Å
311	Q	89.2	Confident	76.5	Confident	50 Å²	50	52.1 Å²	52.1	23%	0.234	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.8	179.7	171.7	160.9	62.1	0	0	110.6	P272 T273 K313 D354 Q355	P272-Q311 CarbonylContact C-O 2.96Å; P272-Q311 VanDerWaalsContact CA-O 3.28Å; P272-Q311 WeakPolarHBondContact CA-O 3.06Å; T273-Q311 PolarHBondContact N-O 3.45Å; T273-Q311 PolarHBondContact O-N 2.89Å; Q311-K313 HydrophobicContact CG-CG 4.31Å; Q311-D354 WeakPolarHBondContact CA-O 3.49Å; Q311-Q355 HydrophobicContact CB-CG 4.22Å; Q311-Q355 HydrophobicContact CG-CG 4.2Å
312	A	86.2	Confident	79.1	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.008	24%	0.239	C	C	.	.			trans	-136.8	122.7	171.6	0	0	0	0	0	108.5	P272 F321 D354 V375	P272-A312 HydrophobicContact CB-CB 4.25Å; A312-F321 HydrophobicContact CB-CE1 3.85Å; A312-F321 HydrophobicContact CB-CZ 4.14Å; A312-D354 PolarHBondContact N-O 2.82Å; A312-D354 CarbonylContact O-C 3.53Å; A312-D354 VanDerWaalsContact O-CA 3.3Å; A312-D354 WeakPolarHBondContact O-CA 3.31Å; A312-D354 VanDerWaalsContact O-O 3.11Å; A312-V375 HydrophobicContact CB-CB 4.42Å; A312-V375 HydrophobicContact CB-CG1 3.91Å; A312-V375 HydrophobicContact CB-CG2 4.03Å
313	K	81.6	Confident	81.5	Confident	104 Å²	104	40.8 Å²	40.8	45%	0.452	21%	0.213	S	C	.	.			trans	-100.1	130	-171.4	-69.5	-179.9	-178.7	176	0	112.8	K270 Q311 D354	K270-K313 WeakPolarHBondContact CB-O 3.42Å; K270-K313 HydrophobicContact CD-CB 4.2Å; K270-K313 WeakPolarHBondContact CG-O 3.25Å; K270-K313 PolarHBondContact N-O 3.01Å; Q311-K313 HydrophobicContact CG-CG 4.31Å; K313-D354 WeakPolarHBondContact CA-OD1 3.45Å; K313-D354 HydrophobicContact CG-CB 4.32Å
314	G	75.7	Confident	83.4	Confident	32 Å²	32	38 Å²	38	33%	0.33	20%	0.196	S	C	.	.			trans	72.8	-169.9	174.6	0	0	0	0	0	114.7	P269 D354	P269-G314 WeakPolarHBondContact CA-O 3.37Å; P269-G314 WeakPolarHBondContact CB-O 3.32Å; G314-D354 PolarHBondContact N-OD1 2.93Å; G314-D354 VanDerWaalsContact N-OD1 3.12Å
315	G	78.4	Confident	84.9	Confident	17 Å²	17	34.8 Å²	34.8	18%	0.175	18%	0.177	C	C	.	.			trans	106.9	161.3	-165.2	0	0	0	0	0	111.6	V267	V267-G315 CarbonylContact O-C 3.48Å; V267-G315 VanDerWaalsContact O-CA 3.24Å; V267-G315 WeakPolarHBondContact O-CA 3.26Å
316	Y	82.1	Confident	85.6	Confident	120 Å²	120	36.5 Å²	36.5	47%	0.471	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-151.6	128.5	172.9	-175.7	-89.2	0	0	0	110.4	V264 I265 L266 V267 N377	V264-Y316 HydrophobicContact CG1-CE1 3.7Å; I265-Y316 WeakPolarHBondContact O-CD1 3.28Å; L266-Y316 WeakPolarHBondContact CA-O 3.32Å; L266-Y316 HydrophobicContact CD2-CD1 4.45Å; V267-Y316 PolarHBondContact N-O 3.15Å; V267-Y316 PolarHBondContact O-N 2.89Å; Y316-N377 PolarHBondContact N-ND2 2.85Å; Y316-N377 PolarHBondContact O-ND2 2.87Å
317	P	80.8	Confident	85.7	Confident	10 Å²	10	39 Å²	39	7%	0.065	21%	0.212	C	C	.	.	S	Bend	cis	-60.2	177.1	-9.4	28.9	-36.7	0	0	0	112.2	D337 N377 K378	P317-D337 VanDerWaalsContact CB-OD2 3.28Å; P317-D337 WeakPolarHBondContact CB-OD2 3.19Å; P317-N377 PolarHBondContact O-ND2 2.84Å; P317-K378 HydrophobicContact CG-CB 3.7Å
318	T	77.6	Confident	85.8	Confident	53 Å²	53	42 Å²	42	33%	0.325	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-57.5	146.8	-173.7	31	0	0	0	0	113.2	K320 K353	T318-K320 PolarHBondContact O-N 2.92Å; T318-K353 HydrophobicContact CG2-CB 4.38Å; T318-K353 HydrophobicContact CG2-CD 4.48Å; T318-K353 HydrophobicContact CG2-CG 4.48Å
319	P	81.9	Confident	85.7	Confident	9 Å²	9	47 Å²	47	6%	0.058	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-65.4	130.7	178.7	24.3	-31.5	0	0	0	112.2	P269 F321 V375	P269-P319 HydrophobicContact CB-CB 4.25Å; P319-F321 HydrophobicContact CB-CE2 4.04Å; P319-F321 HydrophobicContact CB-CZ 4.24Å; P319-F321 HydrophobicContact CG-CE2 3.87Å; P319-F321 HydrophobicContact CG-CZ 3.99Å; P319-F321 VanDerWaalsContact O-CD2 3.32Å; P319-F321 WeakPolarHBondContact O-CD2 3.37Å; P319-F321 VanDerWaalsContact O-CE2 3.25Å; P319-F321 WeakPolarHBondContact O-CE2 3.35Å; P319-V375 HydrophobicContact CB-CG1 3.59Å
320	K	85.2	Confident	85.4	Confident	69 Å²	69	49.3 Å²	49.3	30%	0.3	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	143.7	163.6	-52.9	-174.2	-175.6	-168.8	0	108.8	T318 D335 V375 S376	T318-K320 PolarHBondContact O-N 2.92Å; K320-D335 WeakPolarHBondContact CE-OD1 3.41Å; K320-D335 IonicContact NZ-OD1 3.83Å; K320-D335 PolarHBondContact NZ-OD1 2.79Å; K320-D335 IonicContact NZ-OD2 3.53Å; K320-D335 PolarHBondContact NZ-OD2 2.97Å; K320-V375 VanDerWaalsContact O-CA 3.31Å; K320-V375 WeakPolarHBondContact O-CA 3.47Å; K320-S376 PolarHBondContact N-O 3Å; K320-S376 PolarHBondContact O-N 2.88Å
321	F	89.9	Confident	85.1	Confident	3 Å²	3	50 Å²	50	1%	0.013	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.4	-177.5	-62.2	-103.5	0	0	0	110.8	C310 A312 P319 A332 S333 F356 L374 V375	C310-F321 HydrophobicContact CB-CD1 4.5Å; A312-F321 HydrophobicContact CB-CE1 3.85Å; A312-F321 HydrophobicContact CB-CZ 4.14Å; P319-F321 HydrophobicContact CB-CE2 4.04Å; P319-F321 HydrophobicContact CB-CZ 4.24Å; P319-F321 HydrophobicContact CG-CE2 3.87Å; P319-F321 HydrophobicContact CG-CZ 3.99Å; P319-F321 VanDerWaalsContact O-CD2 3.32Å; P319-F321 WeakPolarHBondContact O-CD2 3.37Å; P319-F321 VanDerWaalsContact O-CE2 3.25Å; P319-F321 WeakPolarHBondContact O-CE2 3.35Å; F321-A332 CarbonylContact O-C 2.8Å; F321-A332 VanDerWaalsContact O-CA 3.28Å; F321-A332 WeakPolarHBondContact O-CA 3.47Å; F321-S333 PolarHBondContact O-N 2.79Å; F321-F356 HydrophobicContact CB-CB 3.79Å; F321-F356 HydrophobicContact CB-CD1 3.29Å; F321-F356 HydrophobicContact CB-CE1 3.91Å; F321-F356 HydrophobicContact CB-CG 3.75Å; F321-F356 HydrophobicContact CD1-CB 3.81Å; F321-F356 HydrophobicContact CD2-CB 4.2Å; F321-F356 HydrophobicContact CE1-CB 4.43Å; F321-F356 HydrophobicContact CG-CB 3.7Å; F321-F356 HydrophobicContact CG-CD1 4.18Å; F321-F356 HydrophobicContact CG-CG 4.19Å; F321-L374 CarbonylContact C-O 3.56Å; F321-L374 WeakPolarHBondContact CA-O 3.05Å; F321-V375 HydrophobicContact CD1-CG2 3.47Å; F321-V375 VanDerWaalsContact CD1-CG2 3.47Å; F321-V375 HydrophobicContact CE1-CG2 3.79Å; F321-V375 HydrophobicContact CG-CG2 4.22Å
322	E	90.6	Very high	84.7	Confident	41 Å²	41	49.8 Å²	49.8	19%	0.192	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.2	175.7	-56.4	171.4	165	0	0	110.1	F324 L329 A332 C373 L374 K390	E322-F324 HydrophobicContact CB-CD2 4.49Å; E322-F324 HydrophobicContact CB-CE2 3.78Å; E322-L329 HydrophobicContact CB-CD1 4.08Å; E322-A332 HydrophobicContact CG-CB 4.3Å; E322-C373 CarbonylContact O-C 3.52Å; E322-C373 WeakPolarHBondContact O-CA 3.17Å; E322-L374 HydrophobicContact CB-CB 4.28Å; E322-L374 PolarHBondContact N-O 3.37Å; E322-L374 PolarHBondContact O-N 2.8Å; E322-K390 IonicContact OE1-NZ 3.79Å; E322-K390 PolarHBondContact OE1-NZ 3.05Å; E322-K390 IonicContact OE2-NZ 2.71Å; E322-K390 PolarHBondContact OE2-NZ 2.02Å
323	W	91.8	Very high	84	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.9	177.9	-77	113.8	0	0	0	112.1	I274 L308 C310 I330 S331 F356 L358 I371 C373	I274-W323 HydrophobicContact CD1-CZ3 3.94Å; I274-W323 HydrophobicContact CG1-CH2 4.11Å; I274-W323 HydrophobicContact CG1-CZ3 4Å; I274-W323 HydrophobicContact CG2-CH2 4.23Å; I274-W323 HydrophobicContact CG2-CZ3 4.49Å; L308-W323 HydrophobicContact CB-CH2 3.91Å; L308-W323 HydrophobicContact CB-CZ2 4.44Å; C310-W323 HydrophobicContact CB-CH2 3.67Å; C310-W323 HydrophobicContact CB-CZ2 3.4Å; C310-W323 VanDerWaalsContact CB-CZ2 3.4Å; C310-W323 HydrophobicContact CB-CZ3 4.37Å; C310-W323 VanDerWaalsContact N-CZ2 3.3Å; W323-I330 HydrophobicContact CB-CB 4.49Å; W323-I330 HydrophobicContact CB-CD1 4.34Å; W323-I330 PolarHBondContact O-N 2.97Å; W323-S331 PolarHBondContact N-O 2.63Å; W323-F356 AromaticContact CD1-CD1 3.22Å; W323-F356 AromaticContact CD1-CE1 3.36Å; W323-F356 HydrophobicContact CG-CD1 4.34Å; W323-F356 HydrophobicContact CG-CE1 4.44Å; W323-F356 AromaticContact NE1-CD1 3.21Å; W323-F356 AromaticContact NE1-CE1 3.84Å; W323-F356 AromaticContact NE1-CG 3.77Å; W323-L358 HydrophobicContact CB-CD1 4.49Å; W323-L358 HydrophobicContact CB-CD2 4.09Å; W323-L358 HydrophobicContact CD2-CB 3.78Å; W323-L358 HydrophobicContact CD2-CD2 3.51Å; W323-L358 HydrophobicContact CD2-CG 4.24Å; W323-L358 HydrophobicContact CE3-CB 4.41Å; W323-L358 HydrophobicContact CE3-CD2 3.48Å; W323-L358 VanDerWaalsContact CE3-CD2 3.48Å; W323-L358 HydrophobicContact CG-CB 4Å; W323-L358 HydrophobicContact CG-CD1 4.47Å; W323-L358 HydrophobicContact CG-CD2 3.84Å; W323-L358 HydrophobicContact CG-CG 4.34Å; W323-L358 HydrophobicContact CH2-CB 4.28Å; W323-L358 HydrophobicContact CH2-CD2 4.3Å; W323-L358 HydrophobicContact CZ2-CB 3.63Å; W323-L358 HydrophobicContact CZ2-CD2 4.34Å; W323-L358 HydrophobicContact CZ3-CD2 3.91Å; W323-I371 HydrophobicContact CE3-CG2 3.94Å; W323-I371 HydrophobicContact CZ3-CG2 3.82Å; W323-C373 HydrophobicContact CD2-CB 4.32Å; W323-C373 HydrophobicContact CE3-CB 3.8Å; W323-C373 HydrophobicContact CH2-CB 4.44Å; W323-C373 HydrophobicContact CZ3-CB 3.86Å
324	F	92	Very high	83.4	Confident	46 Å²	46	53.2 Å²	53.2	20%	0.202	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141	177.8	-63.2	-105.6	0	0	0	112.5	E322 N328 L329 I371 V372 L374	E322-F324 HydrophobicContact CB-CD2 4.49Å; E322-F324 HydrophobicContact CB-CE2 3.78Å; F324-N328 CarbonylContact C-O 3.53Å; F324-N328 WeakPolarHBondContact CA-O 3.26Å; F324-L329 HydrophobicContact CD1-CB 4.14Å; F324-L329 HydrophobicContact CD1-CD1 4.43Å; F324-L329 HydrophobicContact CD2-CD1 4.26Å; F324-L329 HydrophobicContact CE1-CB 3.9Å; F324-L329 HydrophobicContact CE1-CD1 3.99Å; F324-L329 HydrophobicContact CE2-CD1 3.78Å; F324-L329 HydrophobicContact CZ-CB 4.4Å; F324-L329 HydrophobicContact CZ-CD1 3.63Å; F324-I371 WeakPolarHBondContact O-CA 3.13Å; F324-V372 HydrophobicContact CB-CB 4.3Å; F324-V372 PolarHBondContact N-O 2.76Å; F324-V372 PolarHBondContact O-N 3.29Å; F324-L374 HydrophobicContact CD2-CD1 4.27Å; F324-L374 HydrophobicContact CD2-CG 4.26Å; F324-L374 HydrophobicContact CE2-CD1 3.61Å; F324-L374 HydrophobicContact CE2-CG 3.98Å; F324-L374 HydrophobicContact CZ-CD1 4.2Å
325	H	91.2	Very high	82.4	Confident	41 Å²	41	56.5 Å²	56.5	19%	0.19	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.5	171.4	170	-148.1	0	0	0	109	G327 N328 I330 D369 R370 I371	H325-G327 PolarHBondContact O-N 2.88Å; H325-N328 PolarHBondContact N-O 2.88Å; H325-N328 PolarHBondContact O-N 2.8Å; H325-I330 HydrophobicContact CB-CD1 3.53Å; H325-I330 HydrophobicContact CB-CG1 3.88Å; H325-D369 IonicContact CD2-OD2 2.71Å; H325-D369 IonicContact CE1-OD2 2.63Å; H325-D369 IonicContact NE2-OD2 3.41Å; H325-D369 PolarHBondContact NE2-OD2 2.78Å; H325-R370 WeakPolarHBondContact CA-O 3.37Å; H325-I371 HydrophobicContact CB-CD1 3.86Å
326	N	88.1	Confident	81.1	Confident	82 Å²	82	60.7 Å²	60.7	44%	0.439	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	25.7	-177.4	-68.6	-16.5	0	0	0	114.7	D369 R370	N326-D369 PolarHBondContact ND2-OD1 2.92Å; N326-D369 WeakPolarHBondContact OD1-CA 3.48Å; N326-R370 PolarHBondContact N-O 2.83Å; N326-R370 PolarHBondContact OD1-N 2.91Å
327	G	82.6	Confident	79.2	Confident	60 Å²	60	59.9 Å²	59.9	62%	0.619	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.6	-10.2	-178.8	0	0	0	0	0	115.4	H325	H325-G327 PolarHBondContact O-N 2.88Å
328	N	86.6	Confident	77.3	Confident	118 Å²	118	68.3 Å²	68.3	63%	0.631	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	133.8	176.3	-58.3	-51.3	0	0	0	110.7	F324 H325	F324-N328 CarbonylContact C-O 3.53Å; F324-N328 WeakPolarHBondContact CA-O 3.26Å; H325-N328 PolarHBondContact N-O 2.88Å; H325-N328 PolarHBondContact O-N 2.8Å
329	L	87.7	Confident	75.4	Confident	104 Å²	104	71.9 Å²	71.9	55%	0.545	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	132.5	173	-175.9	74.1	0	0	0	110	E322 F324	E322-L329 HydrophobicContact CB-CD1 4.08Å; F324-L329 HydrophobicContact CD1-CB 4.14Å; F324-L329 HydrophobicContact CD1-CD1 4.43Å; F324-L329 HydrophobicContact CD2-CD1 4.26Å; F324-L329 HydrophobicContact CE1-CB 3.9Å; F324-L329 HydrophobicContact CE1-CD1 3.99Å; F324-L329 HydrophobicContact CE2-CD1 3.78Å; F324-L329 HydrophobicContact CZ-CB 4.4Å; F324-L329 HydrophobicContact CZ-CD1 3.63Å
330	I	84	Confident	72.8	Confident	76 Å²	76	80.1 Å²	80.1	39%	0.39	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-39.4	179.9	-33.6	169.2	0	0	0	111.4	W323 H325 L358 I360	W323-I330 HydrophobicContact CB-CB 4.49Å; W323-I330 HydrophobicContact CB-CD1 4.34Å; W323-I330 PolarHBondContact O-N 2.97Å; H325-I330 HydrophobicContact CB-CD1 3.53Å; H325-I330 HydrophobicContact CB-CG1 3.88Å; I330-L358 HydrophobicContact CB-CD1 4.33Å; I330-L358 HydrophobicContact CD1-CD1 3.87Å; I330-L358 HydrophobicContact CD1-CD2 3.84Å; I330-L358 HydrophobicContact CG2-CD1 4.05Å; I330-I360 HydrophobicContact CD1-CD1 4.11Å
331	S	83.3	Confident	70.1	Confident	13 Å²	13	82.1 Å²	82.1	9%	0.091	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	148.4	-167.5	135.1	0	0	0	0	109.5	W323 Q349 F356	W323-S331 PolarHBondContact N-O 2.63Å; S331-Q349 PolarHBondContact OG-OE1 3.12Å; S331-F356 WeakPolarHBondContact OG-CE1 3.34Å; S331-F356 WeakPolarHBondContact OG-CZ 3.23Å
332	A	81	Confident	67.5	Low	47 Å²	47	88.5 Å²	88.5	39%	0.388	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	151.7	176.9	0	0	0	0	0	110.5	F321 E322	F321-A332 CarbonylContact O-C 2.8Å; F321-A332 VanDerWaalsContact O-CA 3.28Å; F321-A332 WeakPolarHBondContact O-CA 3.47Å; E322-A332 HydrophobicContact CG-CB 4.3Å
333	S	72.6	Confident	64.4	Low	15 Å²	15	91.3 Å²	91.3	11%	0.105	49%	0.487	C	S	.	.			trans	-82.9	139.7	176.4	-176.7	0	0	0	0	111.2	F321	F321-S333 PolarHBondContact O-N 2.79Å
334	E	67.8	Low	61.6	Low	162 Å²	162	99.1 Å²	99.1	76%	0.757	52%	0.523	S	S	*	.			trans	-78.2	166.4	177.6	-62.1	-175.3	150.1	0	0	113.2	L336	E334-L336 PolarHBondContact O-N 2.92Å; E334-L336 VanDerWaalsContact O-N 3.15Å
335	D	56	Low	58.6	Low	101 Å²	101	106.3 Å²	106.3	54%	0.54	56%	0.557	S	S	.	*			trans	-82.8	84.5	-172.6	-86.3	33.5	0	0	0	112.4	K320 D337	K320-D335 WeakPolarHBondContact CE-OD1 3.41Å; K320-D335 IonicContact NZ-OD1 3.83Å; K320-D335 PolarHBondContact NZ-OD1 2.79Å; K320-D335 IonicContact NZ-OD2 3.53Å; K320-D335 PolarHBondContact NZ-OD2 2.97Å; D335-D337 PolarHBondContact O-N 3.14Å
336	L	50.9	Low	55.6	Low	105 Å²	105	111.1 Å²	111.1	55%	0.55	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.1	18	-178.7	-73.8	163.9	0	0	0	116.2	E334 I351	E334-L336 PolarHBondContact O-N 2.92Å; E334-L336 VanDerWaalsContact O-N 3.15Å; L336-I351 HydrophobicContact CD1-CG2 4.43Å
337	D	42.3	Very low	52.8	Low	103 Å²	103	115.5 Å²	115.5	55%	0.551	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-5.6	-175.8	-84.1	-28	0	0	0	114.4	P317 D335	P317-D337 VanDerWaalsContact CB-OD2 3.28Å; P317-D337 WeakPolarHBondContact CB-OD2 3.19Å; D335-D337 PolarHBondContact O-N 3.14Å
338	E	40.6	Very low	50.2	Low	187 Å²	187	117.5 Å²	117.5	87%	0.874	61%	0.605	S	S	*	*	S	Bend	trans	-119.3	-4.5	-178.4	-90.6	-175.2	166.7	0	0	116.1	Q340	E338-Q340 PolarHBondContact O-N 2.85Å; E338-Q340 VanDerWaalsContact O-N 3.14Å
339	L	36.3	Very low	48	Very low	128 Å²	128	115.8 Å²	115.8	67%	0.67	59%	0.593	S	S	*	*			trans	-88	79.1	-179.2	-75.9	164.1	0	0	0	112.7
340	Q	28.6	Very low	45.8	Very low	181 Å²	181	118.8 Å²	118.8	85%	0.846	60%	0.602	S	S	*	*			trans	-82.4	138.2	145.1	-64.7	-171.4	-95.6	0	0	108	E338	E338-Q340 PolarHBondContact O-N 2.85Å; E338-Q340 VanDerWaalsContact O-N 3.14Å
341	D	29.1	Very low	44.1	Very low	112 Å²	112	118.3 Å²	118.3	60%	0.599	60%	0.599	S	S	*	*	S	Bend	trans	54.9	90.2	179	-56.9	-22.7	0	0	0	116.7	F1624	D341-F1624 WeakPolarHBondContact OD1-CE2 3.35Å; D341-F1624 WeakPolarHBondContact OD1-CZ 3.44Å
342	I	34	Very low	43	Very low	137 Å²	137	120.7 Å²	120.7	70%	0.703	61%	0.613	S	S	*	*			trans	-172	131.9	140.8	-95.6	146.1	0	0	0	108.9	E344	I342-E344 HydrophobicContact CG2-CB 4.42Å
343	N	26.3	Very low	42.2	Very low	100 Å²	100	126.6 Å²	126.6	54%	0.535	63%	0.63	S	S	.	*			trans	-98	123.7	163.6	-79	-34.8	0	0	0	108.3	E1621 N1622	N343-E1621 WeakPolarHBondContact CB-OE2 3.44Å; N343-N1622 PolarHBondContact ND2-OD1 3.31Å
344	E	33.6	Very low	42.3	Very low	164 Å²	164	128.4 Å²	128.4	77%	0.766	64%	0.639	S	S	*	*			trans	-158.5	128.2	163.1	-122.8	173.2	-143.1	0	0	111.5	I342 I346	I342-E344 HydrophobicContact CG2-CB 4.42Å; E344-I346 PolarHBondContact O-N 3Å
345	E	28.1	Very low	43.1	Very low	196 Å²	196	123.8 Å²	123.8	92%	0.916	62%	0.617	S	S	*	*			trans	-80.5	76	-178.4	-71.1	-164.2	126.1	0	0	112.6
346	I	28.8	Very low	44.5	Very low	142 Å²	142	119 Å²	119	73%	0.728	59%	0.591	S	S	*	*			trans	-75.4	134.7	175.1	-61.2	-178.1	0	0	0	111.1	E344	E344-I346 PolarHBondContact O-N 3Å
347	H	28.7	Very low	46.1	Very low	175 Å²	175	116 Å²	116	81%	0.81	58%	0.575	S	S	*	*			trans	-71	154.9	-179.5	-97.5	35	0	0	0	113.9
348	S	28.4	Very low	48.3	Very low	101 Å²	101	111.4 Å²	111.4	71%	0.706	55%	0.55	S	S	*	*	S	Bend	trans	84.3	149.2	173.4	86.8	0	0	0	0	117
349	Q	40.5	Very low	50.4	Low	83 Å²	83	107.5 Å²	107.5	39%	0.388	53%	0.532	S	S	.	.			trans	55.8	101.8	176.3	-67.8	166.9	68.8	0	0	115.5	S331 I351 F356	S331-Q349 PolarHBondContact OG-OE1 3.12Å; Q349-I351 PolarHBondContact O-N 3.07Å; Q349-F356 HydrophobicContact CB-CE2 4.13Å; Q349-F356 HydrophobicContact CG-CE2 4.42Å; Q349-F356 VanDerWaalsContact OE1-CE2 3.27Å
350	K	40.2	Very low	52.6	Low	166 Å²	166	102.1 Å²	102.1	72%	0.722	50%	0.504	S	S	*	.			trans	-78.8	66.6	-177.2	-157.2	167.7	-168.3	167.4	0	112.4	T352	K350-T352 PolarHBondContact O-N 2.81Å
351	I	50	Low	55	Low	66 Å²	66	96.2 Å²	96.2	34%	0.338	48%	0.478	S	S	.	.			trans	-59.7	128.7	176.8	-61.8	162.5	0	0	0	109.2	L336 Q349 F356	L336-I351 HydrophobicContact CD1-CG2 4.43Å; Q349-I351 PolarHBondContact O-N 3.07Å; I351-F356 HydrophobicContact CD1-CE2 4.05Å; I351-F356 HydrophobicContact CG1-CD2 3.62Å; I351-F356 HydrophobicContact CG1-CE2 3.59Å
352	T	58.6	Low	57.3	Low	63 Å²	63	93.8 Å²	93.8	39%	0.387	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-126.2	157.7	163.9	67.4	0	0	0	0	108.3	K350 D354 Q355	K350-T352 PolarHBondContact O-N 2.81Å; T352-D354 PolarHBondContact O-N 3.38Å; T352-Q355 PolarHBondContact N-O 3.36Å; T352-Q355 PolarHBondContact O-N 3.03Å; T352-Q355 VanDerWaalsContact O-O 3.04Å; T352-Q355 WeakPolarHBondContact OG1-CB 3.43Å; T352-Q355 PolarHBondContact OG1-N 2.99Å
353	K	64.6	Low	59.2	Low	171 Å²	171	91 Å²	91	74%	0.743	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-13.1	-170.7	-62.8	-172.7	177.5	-174.5	0	115.8	T318	T318-K353 HydrophobicContact CG2-CB 4.38Å; T318-K353 HydrophobicContact CG2-CD 4.48Å; T318-K353 HydrophobicContact CG2-CG 4.48Å
354	D	75.9	Confident	61.6	Low	54 Å²	54	93.2 Å²	93.2	29%	0.289	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	0.1	173.7	-61.4	-61.8	0	0	0	114.5	Q311 A312 K313 G314 T352	Q311-D354 WeakPolarHBondContact CA-O 3.49Å; A312-D354 PolarHBondContact N-O 2.82Å; A312-D354 CarbonylContact O-C 3.53Å; A312-D354 VanDerWaalsContact O-CA 3.3Å; A312-D354 WeakPolarHBondContact O-CA 3.31Å; A312-D354 VanDerWaalsContact O-O 3.11Å; K313-D354 WeakPolarHBondContact CA-OD1 3.45Å; K313-D354 HydrophobicContact CG-CB 4.32Å; G314-D354 PolarHBondContact N-OD1 2.93Å; G314-D354 VanDerWaalsContact N-OD1 3.12Å; T352-D354 PolarHBondContact O-N 3.38Å
355	Q	83	Confident	63.8	Low	64 Å²	64	86.1 Å²	86.1	30%	0.299	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144.7	-171.9	-47.7	-174.5	-68	0	0	115	I309 C310 Q311 T352	I309-Q355 HydrophobicContact CG2-CB 4.09Å; C310-Q355 CarbonylContact O-C 3.56Å; C310-Q355 VanDerWaalsContact O-CA 3.3Å; C310-Q355 WeakPolarHBondContact O-CA 3.29Å; Q311-Q355 HydrophobicContact CB-CG 4.22Å; Q311-Q355 HydrophobicContact CG-CG 4.2Å; T352-Q355 PolarHBondContact N-O 3.36Å; T352-Q355 PolarHBondContact O-N 3.03Å; T352-Q355 VanDerWaalsContact O-O 3.04Å; T352-Q355 WeakPolarHBondContact OG1-CB 3.43Å; T352-Q355 PolarHBondContact OG1-N 2.99Å
356	F	86.3	Confident	66.4	Low	0 Å²	0	79.6 Å²	79.6	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.7	177.2	-165.6	-146.1	0	0	0	111.4	C310 F321 W323 S331 Q349 I351	C310-F356 PolarHBondContact N-O 2.82Å; C310-F356 PolarHBondContact O-N 3.13Å; F321-F356 HydrophobicContact CB-CB 3.79Å; F321-F356 HydrophobicContact CB-CD1 3.29Å; F321-F356 HydrophobicContact CB-CE1 3.91Å; F321-F356 HydrophobicContact CB-CG 3.75Å; F321-F356 HydrophobicContact CD1-CB 3.81Å; F321-F356 HydrophobicContact CD2-CB 4.2Å; F321-F356 HydrophobicContact CE1-CB 4.43Å; F321-F356 HydrophobicContact CG-CB 3.7Å; F321-F356 HydrophobicContact CG-CD1 4.18Å; F321-F356 HydrophobicContact CG-CG 4.19Å; W323-F356 AromaticContact CD1-CD1 3.22Å; W323-F356 AromaticContact CD1-CE1 3.36Å; W323-F356 HydrophobicContact CG-CD1 4.34Å; W323-F356 HydrophobicContact CG-CE1 4.44Å; W323-F356 AromaticContact NE1-CD1 3.21Å; W323-F356 AromaticContact NE1-CE1 3.84Å; W323-F356 AromaticContact NE1-CG 3.77Å; S331-F356 WeakPolarHBondContact OG-CE1 3.34Å; S331-F356 WeakPolarHBondContact OG-CZ 3.23Å; Q349-F356 HydrophobicContact CB-CE2 4.13Å; Q349-F356 HydrophobicContact CG-CE2 4.42Å; Q349-F356 VanDerWaalsContact OE1-CE2 3.27Å; I351-F356 HydrophobicContact CD1-CE2 4.05Å; I351-F356 HydrophobicContact CG1-CD2 3.62Å; I351-F356 HydrophobicContact CG1-CE2 3.59Å
357	E	85.1	Confident	68.9	Low	42 Å²	42	76 Å²	76	20%	0.196	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.3	-176.3	-172	-179.2	167.9	0	0	111.6	K307 I309	K307-E357 VanDerWaalsContact CD-OE1 3.26Å; K307-E357 WeakPolarHBondContact CD-OE1 3.08Å; K307-E357 IonicContact NZ-OE1 3.22Å; K307-E357 PolarHBondContact NZ-OE1 3.26Å; I309-E357 HydrophobicContact CG1-CG 4.31Å
358	L	87	Confident	71.5	Confident	7 Å²	7	77.8 Å²	77.8	4%	0.037	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.9	175.7	167.7	66.2	0	0	0	110	K307 L308 W323 I330 I360 I371	K307-L358 CarbonylContact C-O 3.48Å; K307-L358 WeakPolarHBondContact CA-O 3.45Å; L308-L358 HydrophobicContact CD1-CD2 4.43Å; L308-L358 PolarHBondContact N-O 2.8Å; L308-L358 PolarHBondContact O-N 2.69Å; W323-L358 HydrophobicContact CB-CD1 4.49Å; W323-L358 HydrophobicContact CB-CD2 4.09Å; W323-L358 HydrophobicContact CD2-CB 3.78Å; W323-L358 HydrophobicContact CD2-CD2 3.51Å; W323-L358 HydrophobicContact CD2-CG 4.24Å; W323-L358 HydrophobicContact CE3-CB 4.41Å; W323-L358 HydrophobicContact CE3-CD2 3.48Å; W323-L358 VanDerWaalsContact CE3-CD2 3.48Å; W323-L358 HydrophobicContact CG-CB 4Å; W323-L358 HydrophobicContact CG-CD1 4.47Å; W323-L358 HydrophobicContact CG-CD2 3.84Å; W323-L358 HydrophobicContact CG-CG 4.34Å; W323-L358 HydrophobicContact CH2-CB 4.28Å; W323-L358 HydrophobicContact CH2-CD2 4.3Å; W323-L358 HydrophobicContact CZ2-CB 3.63Å; W323-L358 HydrophobicContact CZ2-CD2 4.34Å; W323-L358 HydrophobicContact CZ3-CD2 3.91Å; I330-L358 HydrophobicContact CB-CD1 4.33Å; I330-L358 HydrophobicContact CD1-CD1 3.87Å; I330-L358 HydrophobicContact CD1-CD2 3.84Å; I330-L358 HydrophobicContact CG2-CD1 4.05Å; L358-I360 HydrophobicContact CD1-CD1 4.29Å; L358-I360 HydrophobicContact CD1-CG1 3.97Å; L358-I360 HydrophobicContact CD2-CD1 3.81Å; L358-I360 HydrophobicContact CD2-CG1 4.31Å; L358-I360 HydrophobicContact CG-CD1 4.07Å; L358-I360 HydrophobicContact CG-CG1 4Å; L358-I371 HydrophobicContact CD2-CG2 3.92Å
359	E	84.8	Confident	74.4	Confident	106 Å²	106	73.5 Å²	73.5	50%	0.495	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	108.1	-176.1	-173.6	160	-164.8	0	0	110.3	P305 K307	P305-E359 HydrophobicContact CB-CG 3.78Å; P305-E359 HydrophobicContact CG-CG 3.6Å; P305-E359 WeakPolarHBondContact CG-OE1 3.47Å; K307-E359 VanDerWaalsContact CE-CD 3.48Å; K307-E359 WeakPolarHBondContact CE-OE1 3.47Å; K307-E359 HydrophobicContact CG-CB 4.34Å; K307-E359 HydrophobicContact CG-CG 4.01Å; K307-E359 IonicContact NZ-OE1 2.7Å; K307-E359 PolarHBondContact NZ-OE1 2.89Å; K307-E359 IonicContact NZ-OE2 2.82Å; K307-E359 PolarHBondContact NZ-OE2 3.28Å
360	I	83	Confident	76.7	Confident	15 Å²	15	74.6 Å²	74.6	8%	0.077	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.2	-177.5	-64.3	170.8	0	0	0	110.6	P305 L306 I330 L358 K362 L365 I371	P305-I360 CarbonylContact C-O 3.54Å; P305-I360 WeakPolarHBondContact CB-O 3.48Å; L306-I360 PolarHBondContact N-O 2.85Å; L306-I360 PolarHBondContact O-N 3.09Å; I330-I360 HydrophobicContact CD1-CD1 4.11Å; L358-I360 HydrophobicContact CD1-CD1 4.29Å; L358-I360 HydrophobicContact CD1-CG1 3.97Å; L358-I360 HydrophobicContact CD2-CD1 3.81Å; L358-I360 HydrophobicContact CD2-CG1 4.31Å; L358-I360 HydrophobicContact CG-CD1 4.07Å; L358-I360 HydrophobicContact CG-CG1 4Å; I360-K362 PolarHBondContact O-N 3.22Å; I360-L365 HydrophobicContact CG2-CD1 4.32Å; I360-L365 HydrophobicContact CG2-CD2 3.85Å; I360-L365 HydrophobicContact CG2-CG 3.96Å; I360-I371 HydrophobicContact CD1-CD1 3.64Å; I360-I371 HydrophobicContact CD1-CG1 4.46Å
361	D	79.4	Confident	79.2	Confident	57 Å²	57	66.7 Å²	66.7	31%	0.305	32%	0.32	S	S	.	.			trans	-62.3	121.2	168.3	-179.1	-15.2	0	0	0	110.9	T363 K364	D361-T363 PolarHBondContact O-N 2.73Å; D361-T363 VanDerWaalsContact O-N 3.08Å; D361-T363 WeakPolarHBondContact OD1-CB 3.41Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.23Å; D361-T363 PolarHBondContact OD1-N 2.93Å; D361-T363 PolarHBondContact OD1-OG1 2.66Å; D361-T363 PolarHBondContact OD2-OG1 3.29Å; D361-T363 VanDerWaalsContact OD2-OG1 3.07Å; D361-K364 HydrophobicContact CB-CD 4.09Å; D361-K364 HydrophobicContact CB-CG 4.11Å; D361-K364 WeakPolarHBondContact O-CB 3.3Å; D361-K364 PolarHBondContact O-N 2.82Å
362	K	76.5	Confident	81.2	Confident	61 Å²	61	64.3 Å²	64.3	27%	0.265	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-56	-25.4	179.7	-69.4	171.6	178.9	152.3	0	113.4	V291 N304 L306 I360 K364 L365	V291-K362 HydrophobicContact CG1-CG 4.41Å; N304-K362 WeakPolarHBondContact O-CD 3.42Å; N304-K362 WeakPolarHBondContact O-CE 3.44Å; N304-K362 PolarHBondContact O-NZ 2.67Å; L306-K362 HydrophobicContact CB-CG 4.29Å; I360-K362 PolarHBondContact O-N 3.22Å; K362-K364 PolarHBondContact O-N 2.8Å; K362-L365 PolarHBondContact O-N 2.77Å
363	T	73.6	Confident	82.8	Confident	79 Å²	79	61.3 Å²	61.3	49%	0.485	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-73.5	-12.8	177.9	67.9	0	0	0	0	113.6	D361	D361-T363 PolarHBondContact O-N 2.73Å; D361-T363 VanDerWaalsContact O-N 3.08Å; D361-T363 WeakPolarHBondContact OD1-CB 3.41Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.23Å; D361-T363 PolarHBondContact OD1-N 2.93Å; D361-T363 PolarHBondContact OD1-OG1 2.66Å; D361-T363 PolarHBondContact OD2-OG1 3.29Å; D361-T363 VanDerWaalsContact OD2-OG1 3.07Å
364	K	77.1	Confident	84.1	Confident	145 Å²	145	54.5 Å²	54.5	63%	0.63	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-96.3	3.4	177.3	-58	-178	-175.1	178	0	113.6	D361 K362	D361-K364 HydrophobicContact CB-CD 4.09Å; D361-K364 HydrophobicContact CB-CG 4.11Å; D361-K364 WeakPolarHBondContact O-CB 3.3Å; D361-K364 PolarHBondContact O-N 2.82Å; K362-K364 PolarHBondContact O-N 2.8Å
365	L	80.6	Confident	84.8	Confident	16 Å²	16	52 Å²	52	8%	0.084	25%	0.248	C	C	.	.			trans	-102.5	140.8	-178.7	-65	176.8	0	0	0	111.7	L306 I360 K362 D369 I371 I397 I399	L306-L365 HydrophobicContact CD2-CD1 3.62Å; I360-L365 HydrophobicContact CG2-CD1 4.32Å; I360-L365 HydrophobicContact CG2-CD2 3.85Å; I360-L365 HydrophobicContact CG2-CG 3.96Å; K362-L365 PolarHBondContact O-N 2.77Å; L365-D369 WeakPolarHBondContact CA-OD2 3.42Å; L365-I371 HydrophobicContact CD2-CD1 4.44Å; L365-I397 HydrophobicContact CB-CG2 4.4Å; L365-I397 HydrophobicContact CD1-CD1 4.45Å; L365-I397 HydrophobicContact CD1-CG1 4.46Å; L365-I397 HydrophobicContact CD2-CG1 4.35Å; L365-I399 WeakPolarHBondContact O-CD1 3.44Å
366	S	82.7	Confident	85.1	Confident	58 Å²	58	49.4 Å²	49.4	41%	0.406	24%	0.237	S	C	.	.			trans	-115.6	154	172	92.8	0	0	0	0	112.1	R368 D369	S366-R368 PolarHBondContact O-N 3.36Å; S366-D369 VanDerWaalsContact N-CG 3.3Å; S366-D369 PolarHBondContact N-OD2 3.44Å; S366-D369 WeakPolarHBondContact O-CB 3.06Å; S366-D369 PolarHBondContact O-N 2.96Å; S366-D369 PolarHBondContact OG-OD1 3.36Å
367	T	81.4	Confident	85.2	Confident	68 Å²	68	49.6 Å²	49.6	42%	0.417	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	124.9	169.4	-67.1	0	0	0	0	109.2	I397 I399	T367-I397 WeakPolarHBondContact CA-O 3.15Å; T367-I399 WeakPolarHBondContact OG1-CB 3.24Å; T367-I399 WeakPolarHBondContact OG1-CG1 3.24Å; T367-I399 PolarHBondContact OG1-N 3.01Å
368	R	83.4	Confident	85.3	Confident	212 Å²	212	52.4 Å²	52.4	80%	0.8	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	4	-167.8	-52.6	170.7	178.9	172.2	-0.7	116.4	S366 I397	S366-R368 PolarHBondContact O-N 3.36Å; R368-I397 PolarHBondContact N-O 3.33Å
369	D	88.1	Confident	85.3	Confident	11 Å²	11	52 Å²	52	6%	0.059	25%	0.248	C	C	.	.			trans	-59.9	142.7	168.1	-82.9	1.7	0	0	0	111.6	H325 N326 L365 S366 M396 I397	H325-D369 IonicContact CD2-OD2 2.71Å; H325-D369 IonicContact CE1-OD2 2.63Å; H325-D369 IonicContact NE2-OD2 3.41Å; H325-D369 PolarHBondContact NE2-OD2 2.78Å; N326-D369 PolarHBondContact ND2-OD1 2.92Å; N326-D369 WeakPolarHBondContact OD1-CA 3.48Å; L365-D369 WeakPolarHBondContact CA-OD2 3.42Å; S366-D369 VanDerWaalsContact N-CG 3.3Å; S366-D369 PolarHBondContact N-OD2 3.44Å; S366-D369 WeakPolarHBondContact O-CB 3.06Å; S366-D369 PolarHBondContact O-N 2.96Å; S366-D369 PolarHBondContact OG-OD1 3.36Å; D369-M396 CarbonylContact O-C 3.35Å; D369-M396 VanDerWaalsContact O-CA 3.28Å; D369-M396 WeakPolarHBondContact O-CA 3.21Å; D369-I397 HydrophobicContact CB-CB 4.25Å; D369-I397 HydrophobicContact CB-CG1 4.06Å; D369-I397 PolarHBondContact O-N 2.83Å
370	R	90.1	Very high	85.4	Confident	106 Å²	106	47 Å²	47	40%	0.4	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.7	178.6	-61.5	179.1	71.5	165	7.1	110.3	H325 N326 E394 V395 M396	H325-R370 WeakPolarHBondContact CA-O 3.37Å; N326-R370 PolarHBondContact N-O 2.83Å; N326-R370 PolarHBondContact OD1-N 2.91Å; R370-E394 IonicContact CZ-OE2 3.73Å; R370-E394 IonicContact NE-OE2 3.95Å; R370-E394 VanDerWaalsContact NH2-CD 3.26Å; R370-E394 IonicContact NH2-OE1 2.73Å; R370-E394 PolarHBondContact NH2-OE1 2.79Å; R370-E394 IonicContact NH2-OE2 2.69Å; R370-E394 PolarHBondContact NH2-OE2 2.98Å; R370-V395 WeakPolarHBondContact CA-O 3.02Å; R370-M396 HydrophobicContact CG-CG 4.16Å; R370-M396 HydrophobicContact CG-SD 4.29Å
371	I	91.2	Very high	85.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.5	168	-52.2	-58.2	0	0	0	108.5	L308 W323 F324 H325 L358 I360 L365 E394 V395	L308-I371 HydrophobicContact CD1-CB 4.33Å; L308-I371 HydrophobicContact CD1-CG1 4.16Å; L308-I371 HydrophobicContact CD1-CG2 3.89Å; W323-I371 HydrophobicContact CE3-CG2 3.94Å; W323-I371 HydrophobicContact CZ3-CG2 3.82Å; F324-I371 WeakPolarHBondContact O-CA 3.13Å; H325-I371 HydrophobicContact CB-CD1 3.86Å; L358-I371 HydrophobicContact CD2-CG2 3.92Å; I360-I371 HydrophobicContact CD1-CD1 3.64Å; I360-I371 HydrophobicContact CD1-CG1 4.46Å; L365-I371 HydrophobicContact CD2-CD1 4.44Å; I371-E394 CarbonylContact O-C 3.5Å; I371-E394 VanDerWaalsContact O-CA 3.26Å; I371-E394 WeakPolarHBondContact O-CA 3.17Å; I371-V395 PolarHBondContact N-O 3.5Å; I371-V395 PolarHBondContact O-N 3.37Å
372	V	92.3	Very high	85.9	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.097	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.2	-177.5	-174.1	0	0	0	0	109.6	F324 L374 R392 A393 E394	F324-V372 HydrophobicContact CB-CB 4.3Å; F324-V372 PolarHBondContact N-O 2.76Å; F324-V372 PolarHBondContact O-N 3.29Å; V372-L374 HydrophobicContact CG1-CD2 4.04Å; V372-R392 HydrophobicContact CG1-CG 3.86Å; V372-A393 CarbonylContact C-O 3.03Å; V372-A393 WeakPolarHBondContact CA-O 2.91Å; V372-A393 WeakPolarHBondContact CG1-O 3.22Å; V372-E394 HydrophobicContact CG2-CB 3.95Å
373	C	92.5	Very high	86	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.7	167	178.6	0	0	0	0	109.3	I274 C310 E322 W323 R392 A393	I274-C373 HydrophobicContact CD1-CB 4.18Å; I274-C373 HydrophobicContact CG1-CB 4.2Å; C310-C373 HydrophobicContact CB-CB 3.74Å; C310-C373 WeakPolarHBondContact CB-SG 3.37Å; C310-C373 WeakPolarHBondContact SG-CB 3.42Å; C310-C373 CovalentContact SG-SG 2.04Å; C310-C373 PolarHBondContact SG-SG 2.89Å; E322-C373 CarbonylContact O-C 3.52Å; E322-C373 WeakPolarHBondContact O-CA 3.17Å; W323-C373 HydrophobicContact CD2-CB 4.32Å; W323-C373 HydrophobicContact CE3-CB 3.8Å; W323-C373 HydrophobicContact CH2-CB 4.44Å; W323-C373 HydrophobicContact CZ3-CB 3.86Å; C373-R392 WeakPolarHBondContact O-CA 3.38Å; C373-A393 PolarHBondContact N-O 3.36Å; C373-A393 PolarHBondContact O-N 3.33Å
374	L	91.9	Very high	86.2	Confident	28 Å²	28	54.7 Å²	54.7	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.2	168.9	-54.6	-176.3	0	0	0	110.5	F321 E322 F324 V372 K390 L391 R392	F321-L374 CarbonylContact C-O 3.56Å; F321-L374 WeakPolarHBondContact CA-O 3.05Å; E322-L374 HydrophobicContact CB-CB 4.28Å; E322-L374 PolarHBondContact N-O 3.37Å; E322-L374 PolarHBondContact O-N 2.8Å; F324-L374 HydrophobicContact CD2-CD1 4.27Å; F324-L374 HydrophobicContact CD2-CG 4.26Å; F324-L374 HydrophobicContact CE2-CD1 3.61Å; F324-L374 HydrophobicContact CE2-CG 3.98Å; F324-L374 HydrophobicContact CZ-CD1 4.2Å; V372-L374 HydrophobicContact CG1-CD2 4.04Å; L374-K390 HydrophobicContact CB-CB 4.46Å; L374-K390 HydrophobicContact CD1-CB 4.49Å; L374-K390 HydrophobicContact CD1-CD 3.97Å; L374-L391 CarbonylContact C-O 3.53Å; L374-L391 VanDerWaalsContact CA-O 3.24Å; L374-L391 WeakPolarHBondContact CA-O 3.01Å; L374-R392 HydrophobicContact CD2-CB 3.72Å; L374-R392 HydrophobicContact CD2-CG 3.8Å
375	V	90.6	Very high	86.2	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	134.8	179.1	177.2	0	0	0	0	111.2	P269 P272 A312 P319 K320 F321 L391	P269-V375 HydrophobicContact CG-CG1 4.16Å; P272-V375 HydrophobicContact CB-CG2 3.83Å; P272-V375 HydrophobicContact CG-CB 4.33Å; P272-V375 HydrophobicContact CG-CG2 3.97Å; A312-V375 HydrophobicContact CB-CB 4.42Å; A312-V375 HydrophobicContact CB-CG1 3.91Å; A312-V375 HydrophobicContact CB-CG2 4.03Å; P319-V375 HydrophobicContact CB-CG1 3.59Å; K320-V375 VanDerWaalsContact O-CA 3.31Å; K320-V375 WeakPolarHBondContact O-CA 3.47Å; F321-V375 HydrophobicContact CD1-CG2 3.47Å; F321-V375 VanDerWaalsContact CD1-CG2 3.47Å; F321-V375 HydrophobicContact CE1-CG2 3.79Å; F321-V375 HydrophobicContact CG-CG2 4.22Å; V375-L391 PolarHBondContact N-O 3.1Å; V375-L391 PolarHBondContact O-N 2.62Å
376	S	90	Very high	85.9	Confident	10 Å²	10	58.5 Å²	58.5	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	162.4	179.5	63.6	0	0	0	0	112.9	K320 T380 Q389	K320-S376 PolarHBondContact N-O 3Å; K320-S376 PolarHBondContact O-N 2.88Å; S376-T380 VanDerWaalsContact CA-OG1 3.32Å; S376-T380 WeakPolarHBondContact CA-OG1 3.24Å; S376-T380 WeakPolarHBondContact CB-OG1 3.16Å; S376-Q389 WeakPolarHBondContact CB-O 3.41Å
377	N	88	Confident	85.7	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.021	29%	0.291	C	S	.	.			trans	-153.2	-177.7	166.1	75	-9.1	0	0	0	110.5	V267 Y316 P317 A379 T380 M381	V267-N377 PolarHBondContact O-ND2 3.19Å; Y316-N377 PolarHBondContact N-ND2 2.85Å; Y316-N377 PolarHBondContact O-ND2 2.87Å; P317-N377 PolarHBondContact O-ND2 2.84Å; N377-A379 PolarHBondContact O-N 2.99Å; N377-A379 WeakPolarHBondContact OD1-CA 3.36Å; N377-A379 VanDerWaalsContact OD1-CB 3.31Å; N377-A379 WeakPolarHBondContact OD1-CB 3.03Å; N377-A379 PolarHBondContact OD1-N 3.36Å; N377-T380 PolarHBondContact N-OG1 2.96Å; N377-T380 PolarHBondContact O-N 3.47Å; N377-T380 VanDerWaalsContact O-N 3.1Å; N377-T380 PolarHBondContact O-OG1 2.88Å; N377-T380 PolarHBondContact OD1-N 3.01Å; N377-M381 VanDerWaalsContact O-CG 3.27Å; N377-M381 WeakPolarHBondContact O-CG 3.27Å; N377-M381 PolarHBondContact O-N 3.28Å; N377-M381 VanDerWaalsContact O-N 3.09Å
378	K	86.8	Confident	85.7	Confident	100 Å²	100	62.5 Å²	62.5	44%	0.435	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.2	179.3	-151.8	177	-167	179.1	0	113.9	E177 L266 P317	E177-K378 IonicContact OE1-NZ 3.66Å; E177-K378 PolarHBondContact OE1-NZ 3.37Å; E177-K378 WeakPolarHBondContact OE2-CE 3.48Å; E177-K378 IonicContact OE2-NZ 3.52Å; E177-K378 PolarHBondContact OE2-NZ 2.75Å; L266-K378 HydrophobicContact CD1-CB 4.48Å; L266-K378 HydrophobicContact CD1-CD 4.34Å; L266-K378 HydrophobicContact CD1-CG 4.22Å; L266-K378 HydrophobicContact CD2-CB 4.39Å; L266-K378 HydrophobicContact CD2-CD 4.28Å; P317-K378 HydrophobicContact CG-CB 3.7Å
379	A	87.3	Confident	85.8	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-34.9	176.4	0	0	0	0	0	113.8	L179 L266 V267 K268 N377	L179-A379 HydrophobicContact CD2-CB 3.71Å; L266-A379 HydrophobicContact CB-CB 3.97Å; V267-A379 WeakPolarHBondContact O-CB 3.47Å; K268-A379 HydrophobicContact CG-CB 4.01Å; N377-A379 PolarHBondContact O-N 2.99Å; N377-A379 WeakPolarHBondContact OD1-CA 3.36Å; N377-A379 VanDerWaalsContact OD1-CB 3.31Å; N377-A379 WeakPolarHBondContact OD1-CB 3.03Å; N377-A379 PolarHBondContact OD1-N 3.36Å
380	T	87.8	Confident	85.7	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.006	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-68	-41.8	172.4	64.3	0	0	0	0	110.9	K268 P269 S376 N377 R382 S383 E388 Q389 L391	K268-T380 HydrophobicContact CG-CG2 4.44Å; P269-T380 VanDerWaalsContact CD-CG2 3.42Å; P269-T380 HydrophobicContact CG-CG2 3.91Å; S376-T380 VanDerWaalsContact CA-OG1 3.32Å; S376-T380 WeakPolarHBondContact CA-OG1 3.24Å; S376-T380 WeakPolarHBondContact CB-OG1 3.16Å; N377-T380 PolarHBondContact N-OG1 2.96Å; N377-T380 PolarHBondContact O-N 3.47Å; N377-T380 VanDerWaalsContact O-N 3.1Å; N377-T380 PolarHBondContact O-OG1 2.88Å; N377-T380 PolarHBondContact OD1-N 3.01Å; T380-R382 PolarHBondContact O-N 3.31Å; T380-S383 WeakPolarHBondContact O-CB 3.33Å; T380-S383 PolarHBondContact O-N 3.15Å; T380-E388 VanDerWaalsContact CB-O 3.32Å; T380-E388 WeakPolarHBondContact CB-O 3.15Å; T380-Q389 VanDerWaalsContact CB-O 3.26Å; T380-Q389 WeakPolarHBondContact CB-O 3.47Å; T380-Q389 WeakPolarHBondContact O-CA 3.29Å; T380-Q389 PolarHBondContact OG1-O 3.19Å; T380-L391 HydrophobicContact CG2-CG 4.48Å
381	M	88	Confident	85.6	Confident	108 Å²	108	54.4 Å²	54.4	53%	0.532	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-64.3	-9.8	-178.7	-64	-64.1	-69.4	0	0	114.1	N377 Q389	N377-M381 VanDerWaalsContact O-CG 3.27Å; N377-M381 WeakPolarHBondContact O-CG 3.27Å; N377-M381 PolarHBondContact O-N 3.28Å; N377-M381 VanDerWaalsContact O-N 3.09Å; M381-Q389 HydrophobicContact SD-CB 4.44Å
382	R	83.9	Confident	85.6	Confident	93 Å²	93	60.8 Å²	60.8	35%	0.351	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-85.3	-6.7	170.4	-77	-172.3	178.8	-161.3	3.8	114.4	E177 L179 E182 T380	E177-R382 PolarHBondContact O-NH1 3.1Å; E177-R382 PolarHBondContact O-NH2 3.27Å; L179-R382 HydrophobicContact CD1-CB 4.02Å; L179-R382 HydrophobicContact CD2-CB 4.32Å; L179-R382 HydrophobicContact CG-CB 4.45Å; E182-R382 IonicContact OE2-NH1 3.39Å; E182-R382 PolarHBondContact OE2-NH1 3.01Å; T380-R382 PolarHBondContact O-N 3.31Å
383	S	79.2	Confident	85.4	Confident	14 Å²	14	60.8 Å²	60.8	10%	0.098	28%	0.283	C	S	.	.			trans	-77.6	139	179.1	-168.2	0	0	0	0	112.4	T380 H385 E388 Q389	T380-S383 WeakPolarHBondContact O-CB 3.33Å; T380-S383 PolarHBondContact O-N 3.15Å; S383-H385 PolarHBondContact O-N 3.21Å; S383-H385 PolarHBondContact OG-N 2.92Å; S383-E388 VanDerWaalsContact CB-OE2 3.31Å; S383-E388 WeakPolarHBondContact CB-OE2 2.93Å; S383-E388 WeakPolarHBondContact OG-CB 3.41Å; S383-E388 VanDerWaalsContact OG-CD 3.27Å; S383-E388 PolarHBondContact OG-OE2 3.31Å; S383-Q389 WeakPolarHBondContact O-CG 3.44Å; S383-Q389 PolarHBondContact O-NE2 3.24Å
384	N	77.1	Confident	85.3	Confident	158 Å²	158	64.7 Å²	64.7	85%	0.845	30%	0.301	S	S	*	.	S	Bend	trans	-71.2	-11.7	171.4	-67.4	-32.6	0	0	0	112.9
385	H	76.7	Confident	85.3	Confident	94 Å²	94	63.6 Å²	63.6	44%	0.435	30%	0.296	S	S	.	.	S	Bend	trans	-98	118.4	-179.4	-67.7	-44	0	0	0	111.6	S383 Y387 E388 Q389	S383-H385 PolarHBondContact O-N 3.21Å; S383-H385 PolarHBondContact OG-N 2.92Å; H385-Y387 HydrophobicContact CB-CD1 4Å; H385-Y387 HydrophobicContact CB-CE1 3.61Å; H385-Y387 HydrophobicContact CB-CE2 4.27Å; H385-Y387 HydrophobicContact CB-CG 4.48Å; H385-Y387 AromaticContact CD2-CZ 3.96Å; H385-Y387 PolarHBondContact CD2-OH 2.67Å; H385-Y387 AromaticContact CG-CE1 3.77Å; H385-Y387 AromaticContact CG-CZ 3.81Å; H385-Y387 PolarHBondContact O-N 3.33Å; H385-Y387 VanDerWaalsContact O-N 3.1Å; H385-E388 HydrophobicContact CB-CB 4.3Å; H385-E388 HydrophobicContact CB-CG 4.06Å; H385-E388 IonicContact CD2-OE1 3.78Å; H385-E388 WeakPolarHBondContact O-CB 3.09Å; H385-E388 PolarHBondContact O-N 3.2Å; H385-Q389 PolarHBondContact O-N 2.9Å
386	L	75.7	Confident	85.1	Confident	146 Å²	146	67.1 Å²	67.1	76%	0.764	31%	0.313	S	S	*	.	H	α-helix	trans	-51.7	-35.3	178.4	-69.5	167	0	0	0	113.4	E388 Q389	L386-E388 VanDerWaalsContact C-N 3.31Å; L386-E388 PolarHBondContact O-N 2.96Å; L386-Q389 PolarHBondContact O-N 2.62Å
387	Y	77.5	Confident	84.9	Confident	159 Å²	159	66.7 Å²	66.7	62%	0.624	31%	0.31	S	S	*	.	H	α-helix	trans	-75.4	-15.1	178.6	67.3	-100.8	0	0	0	114.1	H385	H385-Y387 HydrophobicContact CB-CD1 4Å; H385-Y387 HydrophobicContact CB-CE1 3.61Å; H385-Y387 HydrophobicContact CB-CE2 4.27Å; H385-Y387 HydrophobicContact CB-CG 4.48Å; H385-Y387 AromaticContact CD2-CZ 3.96Å; H385-Y387 PolarHBondContact CD2-OH 2.67Å; H385-Y387 AromaticContact CG-CE1 3.77Å; H385-Y387 AromaticContact CG-CZ 3.81Å; H385-Y387 PolarHBondContact O-N 3.33Å; H385-Y387 VanDerWaalsContact O-N 3.1Å
388	E	80.7	Confident	84.6	Confident	52 Å²	52	68.3 Å²	68.3	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-93.8	-26.5	172.6	-68.4	-169.8	-166.2	0	0	112.8	K268 T380 S383 H385 L386 K390	K268-E388 IonicContact NZ-OE2 2.79Å; K268-E388 PolarHBondContact NZ-OE2 2.93Å; T380-E388 VanDerWaalsContact CB-O 3.32Å; T380-E388 WeakPolarHBondContact CB-O 3.15Å; S383-E388 VanDerWaalsContact CB-OE2 3.31Å; S383-E388 WeakPolarHBondContact CB-OE2 2.93Å; S383-E388 WeakPolarHBondContact OG-CB 3.41Å; S383-E388 VanDerWaalsContact OG-CD 3.27Å; S383-E388 PolarHBondContact OG-OE2 3.31Å; H385-E388 HydrophobicContact CB-CB 4.3Å; H385-E388 HydrophobicContact CB-CG 4.06Å; H385-E388 IonicContact CD2-OE1 3.78Å; H385-E388 WeakPolarHBondContact O-CB 3.09Å; H385-E388 PolarHBondContact O-N 3.2Å; L386-E388 VanDerWaalsContact C-N 3.31Å; L386-E388 PolarHBondContact O-N 2.96Å; E388-K390 VanDerWaalsContact C-N 3.3Å; E388-K390 PolarHBondContact O-N 3.24Å
389	Q	85.6	Confident	84	Confident	54 Å²	54	65.8 Å²	65.8	25%	0.252	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-37.5	-178.8	-70.2	174.3	-1.1	0	0	112.2	S376 T380 M381 S383 H385 L386	S376-Q389 WeakPolarHBondContact CB-O 3.41Å; T380-Q389 VanDerWaalsContact CB-O 3.26Å; T380-Q389 WeakPolarHBondContact CB-O 3.47Å; T380-Q389 WeakPolarHBondContact O-CA 3.29Å; T380-Q389 PolarHBondContact OG1-O 3.19Å; M381-Q389 HydrophobicContact SD-CB 4.44Å; S383-Q389 WeakPolarHBondContact O-CG 3.44Å; S383-Q389 PolarHBondContact O-NE2 3.24Å; H385-Q389 PolarHBondContact O-N 2.9Å; L386-Q389 PolarHBondContact O-N 2.62Å
390	K	86.5	Confident	83.6	Confident	77 Å²	77	66.9 Å²	66.9	34%	0.335	32%	0.315	S	S	.	.	S	Bend	trans	-130.5	107.9	172.7	-68.7	-169.4	168.9	-169.2	0	110.1	E322 L374 E388	E322-K390 IonicContact OE1-NZ 3.79Å; E322-K390 PolarHBondContact OE1-NZ 3.05Å; E322-K390 IonicContact OE2-NZ 2.71Å; E322-K390 PolarHBondContact OE2-NZ 2.02Å; L374-K390 HydrophobicContact CB-CB 4.46Å; L374-K390 HydrophobicContact CD1-CB 4.49Å; L374-K390 HydrophobicContact CD1-CD 3.97Å; E388-K390 VanDerWaalsContact C-N 3.3Å; E388-K390 PolarHBondContact O-N 3.24Å
391	L	89	Confident	82.9	Confident	27 Å²	27	68.7 Å²	68.7	14%	0.141	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	143.6	175.9	-53.2	-177.8	0	0	0	109.8	P269 P272 L374 V375 T380	P269-L391 HydrophobicContact CG-CD1 4.01Å; P269-L391 WeakPolarHBondContact O-CD1 3.39Å; P272-L391 HydrophobicContact CG-CB 4.44Å; L374-L391 CarbonylContact C-O 3.53Å; L374-L391 VanDerWaalsContact CA-O 3.24Å; L374-L391 WeakPolarHBondContact CA-O 3.01Å; V375-L391 PolarHBondContact N-O 3.1Å; V375-L391 PolarHBondContact O-N 2.62Å; T380-L391 HydrophobicContact CG2-CG 4.48Å
392	R	89.7	Confident	82.4	Confident	135 Å²	135	65.2 Å²	65.2	51%	0.509	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.5	-167.2	176.9	176.5	175.4	151.9	-2	113.6	V372 C373 L374 E394	V372-R392 HydrophobicContact CG1-CG 3.86Å; C373-R392 WeakPolarHBondContact O-CA 3.38Å; L374-R392 HydrophobicContact CD2-CB 3.72Å; L374-R392 HydrophobicContact CD2-CG 3.8Å; R392-E394 IonicContact CZ-OE2 3.13Å; R392-E394 IonicContact NE-OE2 2.74Å; R392-E394 IonicContact NH2-OE2 3.64Å; R392-E394 PolarHBondContact NH2-OE2 2.8Å
393	A	90.1	Very high	82.3	Confident	15 Å²	15	61.1 Å²	61.1	12%	0.124	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.2	163.7	0	0	0	0	0	110.4	P272 I274 V372 C373	P272-A393 HydrophobicContact CB-CB 4.21Å; P272-A393 HydrophobicContact CG-CB 4.02Å; I274-A393 HydrophobicContact CD1-CB 4Å; I274-A393 HydrophobicContact CG1-CB 3.98Å; V372-A393 CarbonylContact C-O 3.03Å; V372-A393 WeakPolarHBondContact CA-O 2.91Å; V372-A393 WeakPolarHBondContact CG1-O 3.22Å; C373-A393 PolarHBondContact N-O 3.36Å; C373-A393 PolarHBondContact O-N 3.33Å
394	E	90.2	Very high	82.5	Confident	82 Å²	82	60.8 Å²	60.8	38%	0.383	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.2	178	67.2	175.8	-163.4	0	0	114.7	R370 I371 V372 R392	R370-E394 IonicContact CZ-OE2 3.73Å; R370-E394 IonicContact NE-OE2 3.95Å; R370-E394 VanDerWaalsContact NH2-CD 3.26Å; R370-E394 IonicContact NH2-OE1 2.73Å; R370-E394 PolarHBondContact NH2-OE1 2.79Å; R370-E394 IonicContact NH2-OE2 2.69Å; R370-E394 PolarHBondContact NH2-OE2 2.98Å; I371-E394 CarbonylContact O-C 3.5Å; I371-E394 VanDerWaalsContact O-CA 3.26Å; I371-E394 WeakPolarHBondContact O-CA 3.17Å; V372-E394 HydrophobicContact CG2-CB 3.95Å; R392-E394 IonicContact CZ-OE2 3.13Å; R392-E394 IonicContact NE-OE2 2.74Å; R392-E394 IonicContact NH2-OE2 3.64Å; R392-E394 PolarHBondContact NH2-OE2 2.8Å
395	V	90.2	Very high	82.9	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.4	179.5	173.2	0	0	0	0	109.9	I274 P283 G287 L289 R370 I371	I274-V395 HydrophobicContact CB-CG2 3.98Å; I274-V395 HydrophobicContact CD1-CG2 4.08Å; I274-V395 HydrophobicContact CG2-CG2 3.87Å; P283-V395 HydrophobicContact CB-CG1 4.45Å; P283-V395 HydrophobicContact CB-CG2 4.04Å; P283-V395 HydrophobicContact CG-CG2 4.04Å; G287-V395 CarbonylContact O-C 3.46Å; G287-V395 WeakPolarHBondContact O-CA 3.22Å; L289-V395 HydrophobicContact CB-CG1 3.45Å; L289-V395 VanDerWaalsContact CB-CG1 3.45Å; L289-V395 HydrophobicContact CD2-CG1 4.18Å; L289-V395 HydrophobicContact CG-CG1 4.47Å; R370-V395 WeakPolarHBondContact CA-O 3.02Å; I371-V395 PolarHBondContact N-O 3.5Å; I371-V395 PolarHBondContact O-N 3.37Å
396	M	87.8	Confident	83.6	Confident	76 Å²	76	54.5 Å²	54.5	37%	0.374	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.1	172.2	-62.4	-154.2	-60.5	0	0	112.8	G287 Q288 L289 D369 R370	G287-M396 PolarHBondContact O-N 2.87Å; Q288-M396 CarbonylContact C-O 3.58Å; Q288-M396 WeakPolarHBondContact CA-O 3.37Å; L289-M396 PolarHBondContact N-O 2.82Å; D369-M396 CarbonylContact O-C 3.35Å; D369-M396 VanDerWaalsContact O-CA 3.28Å; D369-M396 WeakPolarHBondContact O-CA 3.21Å; R370-M396 HydrophobicContact CG-CG 4.16Å; R370-M396 HydrophobicContact CG-SD 4.29Å
397	I	85.1	Confident	84.3	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	137.7	-177.7	-54.4	-58	0	0	0	112.3	L289 V291 L306 L365 T367 R368 D369 I399	L289-I397 HydrophobicContact CB-CD1 4.43Å; L289-I397 HydrophobicContact CD2-CD1 4.07Å; V291-I397 HydrophobicContact CG2-CG2 3.99Å; L306-I397 HydrophobicContact CD2-CD1 4.31Å; L365-I397 HydrophobicContact CB-CG2 4.4Å; L365-I397 HydrophobicContact CD1-CD1 4.45Å; L365-I397 HydrophobicContact CD1-CG1 4.46Å; L365-I397 HydrophobicContact CD2-CG1 4.35Å; T367-I397 WeakPolarHBondContact CA-O 3.15Å; R368-I397 PolarHBondContact N-O 3.33Å; D369-I397 HydrophobicContact CB-CB 4.25Å; D369-I397 HydrophobicContact CB-CG1 4.06Å; D369-I397 PolarHBondContact O-N 2.83Å; I397-I399 HydrophobicContact CG2-CG1 4.21Å
398	V	82.9	Confident	84.8	Confident	37 Å²	37	44.5 Å²	44.5	22%	0.224	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.2	172.4	-175.5	0	0	0	0	109.8	Q288 L289 I290 V291	Q288-V398 HydrophobicContact CB-CG2 4.22Å; Q288-V398 HydrophobicContact CG-CG2 4.32Å; L289-V398 PolarHBondContact O-N 3.19Å; I290-V398 CarbonylContact C-O 3.35Å; I290-V398 WeakPolarHBondContact CA-O 3.11Å; V291-V398 PolarHBondContact N-O 3.2Å
399	I	74.1	Confident	85.1	Confident	47 Å²	47	44.2 Å²	44.2	24%	0.241	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.7	-176.7	-54.1	174.3	0	0	0	111	V291 F293 L365 T367 I397	V291-I399 WeakPolarHBondContact O-CA 3.32Å; F293-I399 HydrophobicContact CB-CG2 3.64Å; F293-I399 HydrophobicContact CG-CG2 4.41Å; L365-I399 WeakPolarHBondContact O-CD1 3.44Å; T367-I399 WeakPolarHBondContact OG1-CB 3.24Å; T367-I399 WeakPolarHBondContact OG1-CG1 3.24Å; T367-I399 PolarHBondContact OG1-N 3.01Å; I397-I399 HydrophobicContact CG2-CG1 4.21Å
400	H	77.2	Confident	84.8	Confident	23 Å²	23	44 Å²	44	11%	0.106	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143	171	-74.3	-139.2	0	0	0	110.1	V291 F293 N438 P439 V517	V291-H400 PolarHBondContact O-N 3.05Å; F293-H400 PolarHBondContact N-O 3.15Å; H400-N438 WeakPolarHBondContact CA-O 3.39Å; H400-P439 VanDerWaalsContact ND1-CD 3.3Å; H400-P439 WeakPolarHBondContact ND1-CD 3.35Å; H400-V517 HydrophobicContact CB-CG2 3.98Å; H400-V517 VanDerWaalsContact ND1-CG2 3.34Å; H400-V517 WeakPolarHBondContact ND1-CG2 3.43Å
401	S	74.1	Confident	84.5	Confident	40 Å²	40	41.5 Å²	41.5	28%	0.28	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.1	175.1	66.3	0	0	0	0	112.3	G437 N438	S401-G437 WeakPolarHBondContact O-CA 3.45Å; S401-N438 PolarHBondContact N-O 3.09Å; S401-N438 PolarHBondContact O-N 3.24Å; S401-N438 VanDerWaalsContact OG-CB 3.3Å; S401-N438 WeakPolarHBondContact OG-CB 3Å; S401-N438 PolarHBondContact OG-N 3.24Å
402	L	77.3	Confident	83.8	Confident	34 Å²	34	46.1 Å²	46.1	18%	0.178	24%	0.235	C	C	.	.			trans	-77.1	144.9	-173.9	-60.4	178.5	0	0	0	112.6	H515	L402-H515 WeakPolarHBondContact CD2-ND1 3.36Å
403	P	82.5	Confident	82.9	Confident	8 Å²	8	46.7 Å²	46.7	5%	0.052	24%	0.241	C	C	.	.			trans	-63.4	157.5	166.2	-20	31.6	0	0	0	112.8	V433 P436 V513 H515 K521	P403-V433 HydrophobicContact CB-CG1 4.18Å; P403-P436 WeakPolarHBondContact CB-O 3.36Å; P403-P436 WeakPolarHBondContact CG-O 3.33Å; P403-V513 HydrophobicContact CB-CG2 4.32Å; P403-H515 HydrophobicContact CG-CB 3.89Å; P403-K521 PolarHBondContact O-NZ 3.05Å
404	G	82	Confident	81.5	Confident	6 Å²	6	49.8 Å²	49.8	6%	0.062	25%	0.252	C	S	.	.			trans	-64.1	-176.5	171.2	0	0	0	0	0	114.1	T434 P435 K521	G404-T434 WeakPolarHBondContact CA-O 3.21Å; G404-P435 PolarHBondContact N-O 2.99Å; G404-K521 WeakPolarHBondContact O-CD 3.42Å; G404-K521 PolarHBondContact O-NZ 2.92Å
405	D	86.1	Confident	80	Confident	108 Å²	108	48.8 Å²	48.8	58%	0.578	25%	0.249	S	C	*	.			trans	-85	143.9	175.7	-54.8	-32.7	0	0	0	110.1	K521	D405-K521 VanDerWaalsContact OD1-CD 3.29Å; D405-K521 WeakPolarHBondContact OD1-CD 3.47Å; D405-K521 WeakPolarHBondContact OD1-CE 3.33Å; D405-K521 IonicContact OD1-NZ 3.31Å; D405-K521 PolarHBondContact OD1-NZ 3.41Å
406	P	91.3	Very high	78.2	Confident	13 Å²	13	54.7 Å²	54.7	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	141.8	-179.8	33.5	-34.3	0	0	0	111.7	R432 V433 V513 K521 T523	P406-R432 CarbonylContact C-O 3.59Å; P406-R432 WeakPolarHBondContact CA-O 3.23Å; P406-V433 HydrophobicContact CB-CG2 4.22Å; P406-V513 HydrophobicContact CB-CG1 4.17Å; P406-V513 HydrophobicContact CG-CG1 4.02Å; P406-K521 HydrophobicContact CG-CB 4.24Å; P406-T523 HydrophobicContact CB-CG2 4.03Å; P406-T523 HydrophobicContact CG-CG2 4.09Å; P406-T523 VanDerWaalsContact O-CB 3.28Å; P406-T523 WeakPolarHBondContact O-CB 3.29Å; P406-T523 WeakPolarHBondContact O-CG2 3.07Å
407	E	90.4	Very high	76.4	Confident	81 Å²	81	61.2 Å²	61.2	38%	0.379	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	118.8	-174.1	-176.4	-168.5	176.8	0	0	110.9	I409 C431 R432	E407-I409 HydrophobicContact CG-CG2 3.94Å; E407-I409 PolarHBondContact O-N 3.18Å; E407-C431 CarbonylContact O-C 3.57Å; E407-C431 VanDerWaalsContact O-CA 3.27Å; E407-C431 WeakPolarHBondContact O-CA 2.97Å; E407-R432 HydrophobicContact CB-CB 4.47Å; E407-R432 PolarHBondContact N-O 3.36Å; E407-R432 PolarHBondContact O-N 2.99Å; E407-R432 IonicContact OE1-CZ 2.88Å; E407-R432 IonicContact OE1-NH2 2.6Å; E407-R432 PolarHBondContact OE1-NH2 2.06Å; E407-R432 IonicContact OE2-CZ 3.53Å; E407-R432 IonicContact OE2-NE 3.49Å; E407-R432 PolarHBondContact OE2-NE 2.84Å; E407-R432 IonicContact OE2-NH2 3.42Å; E407-R432 PolarHBondContact OE2-NH2 2.92Å
408	I	89	Confident	74.9	Confident	14 Å²	14	64.3 Å²	64.3	7%	0.072	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	111.1	172.4	-65.8	161.8	0	0	0	109.1	W411 V429 T430 W445 C511 T523 K525	I408-W411 HydrophobicContact CG2-CB 4.47Å; I408-W411 HydrophobicContact CG2-CE3 4.39Å; I408-V429 HydrophobicContact CG2-CB 4.3Å; I408-T430 CarbonylContact C-O 3.57Å; I408-T430 WeakPolarHBondContact CA-O 3.46Å; I408-W445 HydrophobicContact CD1-CZ3 4.02Å; I408-W445 HydrophobicContact CG1-CH2 3.98Å; I408-W445 HydrophobicContact CG1-CZ3 3.97Å; I408-C511 HydrophobicContact CD1-CB 4.11Å; I408-C511 HydrophobicContact CG1-CB 3.9Å; I408-T523 HydrophobicContact CD1-CG2 3.95Å; I408-T523 HydrophobicContact CG1-CG2 3.78Å; I408-K525 HydrophobicContact CD1-CG 4.24Å; I408-K525 HydrophobicContact CG2-CG 4.44Å
409	I	85.7	Confident	73.9	Confident	45 Å²	45	67.2 Å²	67.2	23%	0.231	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	177.5	172.9	69	179.7	0	0	0	110.2	E407 W411 T430	E407-I409 HydrophobicContact CG-CG2 3.94Å; E407-I409 PolarHBondContact O-N 3.18Å; I409-W411 PolarHBondContact O-N 3.29Å; I409-T430 HydrophobicContact CD1-CG2 4.12Å; I409-T430 HydrophobicContact CG1-CG2 4.12Å; I409-T430 PolarHBondContact N-O 3.08Å; I409-T430 PolarHBondContact O-N 2.81Å
410	D	80.8	Confident	73.5	Confident	51 Å²	51	65.9 Å²	65.9	27%	0.273	34%	0.344	S	S	.	.	S	Bend	trans	65.7	-12.8	-176.1	-60.2	-53.8	0	0	0	116.8	D412 K413 T430	D410-D412 VanDerWaalsContact C-N 3.28Å; D410-D412 PolarHBondContact O-N 3.38Å; D410-D412 VanDerWaalsContact O-N 3.13Å; D410-K413 HydrophobicContact CB-CD 4.2Å; D410-K413 WeakPolarHBondContact O-CB 3.02Å; D410-K413 WeakPolarHBondContact O-CG 3.01Å; D410-K413 PolarHBondContact O-N 3.4Å; D410-K413 VanDerWaalsContact O-N 3.08Å; D410-K413 WeakPolarHBondContact OD1-CE 3.43Å; D410-K413 IonicContact OD1-NZ 2.69Å; D410-K413 PolarHBondContact OD1-NZ 2.73Å; D410-T430 VanDerWaalsContact OD2-CB 3.24Å; D410-T430 WeakPolarHBondContact OD2-CB 3.26Å; D410-T430 PolarHBondContact OD2-OG1 3.08Å
411	W	78.9	Confident	73.3	Confident	23 Å²	23	66.1 Å²	66.1	9%	0.087	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-45.6	-45.4	-178.3	-173.9	-93.8	0	0	0	114.7	I408 I409 K413 F414 I415 F427 V429 L509 K525 I527	I408-W411 HydrophobicContact CG2-CB 4.47Å; I408-W411 HydrophobicContact CG2-CE3 4.39Å; I409-W411 PolarHBondContact O-N 3.29Å; W411-K413 PolarHBondContact O-N 2.79Å; W411-K413 VanDerWaalsContact O-N 3.15Å; W411-F414 PolarHBondContact O-N 3.38Å; W411-I415 HydrophobicContact CZ2-CD1 3.88Å; W411-F427 HydrophobicContact CZ3-CE2 4.23Å; W411-V429 HydrophobicContact CE3-CG1 3.84Å; W411-V429 HydrophobicContact CZ3-CG1 4.31Å; W411-L509 HydrophobicContact CZ3-CD2 4.08Å; W411-K525 VanDerWaalsContact CD1-NZ 3.3Å; W411-K525 HydrophobicContact CD2-CB 3.93Å; W411-K525 HydrophobicContact CD2-CD 3.77Å; W411-K525 HydrophobicContact CD2-CG 3.69Å; W411-K525 HydrophobicContact CE3-CB 3.77Å; W411-K525 HydrophobicContact CE3-CD 4.34Å; W411-K525 HydrophobicContact CE3-CG 3.73Å; W411-K525 HydrophobicContact CG-CD 3.91Å; W411-K525 HydrophobicContact CG-CG 4.24Å; W411-K525 HydrophobicContact CH2-CB 3.54Å; W411-K525 HydrophobicContact CH2-CG 4.39Å; W411-K525 HydrophobicContact CZ2-CB 3.67Å; W411-K525 HydrophobicContact CZ2-CD 4.45Å; W411-K525 HydrophobicContact CZ2-CG 4.33Å; W411-K525 HydrophobicContact CZ3-CB 3.59Å; W411-K525 HydrophobicContact CZ3-CG 4.11Å; W411-I527 HydrophobicContact CH2-CG1 4.47Å
412	D	73.7	Confident	73.2	Confident	124 Å²	124	69.7 Å²	69.7	66%	0.663	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-73.3	-8.5	-171.3	-46.9	-41.9	0	0	0	113.1	D410 F414	D410-D412 VanDerWaalsContact C-N 3.28Å; D410-D412 PolarHBondContact O-N 3.38Å; D410-D412 VanDerWaalsContact O-N 3.13Å; D412-F414 PolarHBondContact O-N 3.3Å
413	K	71	Confident	72.9	Confident	148 Å²	148	71.4 Å²	71.4	64%	0.643	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-70.3	-13.3	174.6	-67.1	173.4	173.6	169.4	0	113.9	D410 W411	D410-K413 HydrophobicContact CB-CD 4.2Å; D410-K413 WeakPolarHBondContact O-CB 3.02Å; D410-K413 WeakPolarHBondContact O-CG 3.01Å; D410-K413 PolarHBondContact O-N 3.4Å; D410-K413 VanDerWaalsContact O-N 3.08Å; D410-K413 WeakPolarHBondContact OD1-CE 3.43Å; D410-K413 IonicContact OD1-NZ 2.69Å; D410-K413 PolarHBondContact OD1-NZ 2.73Å; W411-K413 PolarHBondContact O-N 2.79Å; W411-K413 VanDerWaalsContact O-N 3.15Å
414	F	62.4	Low	72.4	Confident	79 Å²	79	72.9 Å²	72.9	35%	0.346	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-117.4	2.8	-173	-65.7	-89.1	0	0	0	113.9	W411 D412 F427 E428	W411-F414 PolarHBondContact O-N 3.38Å; D412-F414 PolarHBondContact O-N 3.3Å; F414-F427 HydrophobicContact CD1-CB 3.88Å; F414-F427 HydrophobicContact CE1-CB 4.26Å; F414-F427 HydrophobicContact CG-CB 4.09Å; F414-E428 HydrophobicContact CE2-CB 4.37Å; F414-E428 WeakPolarHBondContact CE2-O 3.49Å; F414-E428 HydrophobicContact CZ-CB 4.02Å
415	I	58.2	Low	72.2	Confident	61 Å²	61	74.2 Å²	74.2	31%	0.313	40%	0.398	S	S	.	.			trans	-126.7	86.7	-177.3	-54	-170.3	0	0	0	110	W411 S418	W411-I415 HydrophobicContact CZ2-CD1 3.88Å; I415-S418 VanDerWaalsContact CG2-O 3.3Å; I415-S418 WeakPolarHBondContact CG2-O 3.49Å
416	N	52	Low	71.7	Confident	130 Å²	130	73.1 Å²	73.1	70%	0.695	40%	0.395	S	S	*	.			trans	-93.8	116.1	174.6	-72	-18.5	0	0	0	110.6	S418	N416-S418 PolarHBondContact O-N 2.74Å; N416-S418 PolarHBondContact O-OG 2.97Å
417	E	50.9	Low	71.1	Confident	213 Å²	213	72.9 Å²	72.9	100%	0.995	39%	0.393	S	S	*	.	S	Bend	trans	54.3	-13.2	170	-59.8	-168.9	147.9	0	0	118.6
418	S	52	Low	70.8	Confident	65 Å²	65	72.3 Å²	72.3	46%	0.455	39%	0.39	S	S	.	.	S	Bend	trans	-131.8	134.9	-176.6	57.6	0	0	0	0	109.5	I415 N416 S420	I415-S418 VanDerWaalsContact CG2-O 3.3Å; I415-S418 WeakPolarHBondContact CG2-O 3.49Å; N416-S418 PolarHBondContact O-N 2.74Å; N416-S418 PolarHBondContact O-OG 2.97Å; S418-S420 PolarHBondContact O-N 2.77Å; S418-S420 VanDerWaalsContact O-N 3.1Å
419	T	62.2	Low	70.8	Confident	99 Å²	99	71.7 Å²	71.7	61%	0.607	39%	0.387	S	S	*	.	S	Bend	trans	-81.2	17.1	-170.2	49	0	0	0	0	114.2	L528	T419-L528 WeakPolarHBondContact O-CB 3.47Å; T419-L528 WeakPolarHBondContact O-CD1 3.35Å
420	S	65.6	Low	71	Confident	18 Å²	18	70.1 Å²	70.1	13%	0.126	38%	0.38	C	S	.	.			trans	-142.6	139	-170.4	61.3	0	0	0	0	112.6	S418 L528 Q530	S418-S420 PolarHBondContact O-N 2.77Å; S418-S420 VanDerWaalsContact O-N 3.1Å; S420-L528 WeakPolarHBondContact CA-O 3.15Å; S420-Q530 PolarHBondContact OG-NE2 2.93Å
421	L	73.4	Confident	71.6	Confident	28 Å²	28	67.7 Å²	67.7	15%	0.147	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-86.6	158.8	174.6	-64.9	152.1	0	0	0	110.6	L500 I527 L528 I529	L421-L500 HydrophobicContact CB-CD1 4.07Å; L421-L500 HydrophobicContact CD1-CD1 3.83Å; L421-L500 HydrophobicContact CD2-CD1 4.36Å; L421-L500 HydrophobicContact CG-CD1 4.3Å; L421-I527 HydrophobicContact CD1-CG2 4.35Å; L421-L528 PolarHBondContact N-O 3.35Å; L421-I529 WeakPolarHBondContact O-CA 3.09Å
422	L	72.4	Confident	72.2	Confident	115 Å²	115	71 Å²	71	60%	0.602	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-89	147.5	173	-136.5	79.9	0	0	0	110.8	G424 S425	L422-G424 PolarHBondContact O-N 2.58Å; L422-S425 WeakPolarHBondContact O-CB 3.38Å; L422-S425 PolarHBondContact O-N 2.94Å; L422-S425 PolarHBondContact O-OG 3.02Å
423	V	70.1	Confident	73	Confident	70 Å²	70	65 Å²	65	42%	0.424	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	133.4	167.5	179.5	0	0	0	0	108.9	I529 Q530	V423-I529 HydrophobicContact CB-CG2 4.43Å; V423-I529 HydrophobicContact CG2-CG2 3.44Å; V423-I529 VanDerWaalsContact CG2-CG2 3.44Å; V423-Q530 WeakPolarHBondContact CG2-O 3.44Å
424	G	71.9	Confident	73.8	Confident	39 Å²	39	61.4 Å²	61.4	40%	0.402	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-8.4	-178.1	0	0	0	0	0	115.9	L422 N499 L500	L422-G424 PolarHBondContact O-N 2.58Å; G424-N499 WeakPolarHBondContact CA-OD1 3.31Å; G424-L500 PolarHBondContact N-O 2.63Å
425	S	78	Confident	74.9	Confident	35 Å²	35	60 Å²	60	25%	0.245	34%	0.337	C	S	.	.			trans	-75.5	168.3	-178.4	60.1	0	0	0	0	114	L422 N499 L500	L422-S425 WeakPolarHBondContact O-CB 3.38Å; L422-S425 PolarHBondContact O-N 2.94Å; L422-S425 PolarHBondContact O-OG 3.02Å; S425-N499 PolarHBondContact O-N 3.09Å; S425-L500 WeakPolarHBondContact O-CB 3.47Å; S425-L500 PolarHBondContact O-N 3.44Å; S425-L500 VanDerWaalsContact OG-CD1 3.27Å; S425-L500 WeakPolarHBondContact OG-CD1 3.29Å
426	T	76.4	Confident	76.2	Confident	84 Å²	84	57.8 Å²	57.8	52%	0.515	33%	0.326	S	S	.	.			trans	-127.9	140.9	-175.4	64.2	0	0	0	0	111.1	I497 T498	T426-I497 WeakPolarHBondContact CA-O 3.49Å; T426-T498 HydrophobicContact CG2-CG2 4.13Å
427	F	79.1	Confident	77.4	Confident	9 Å²	9	52.1 Å²	52.1	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.9	-179.7	80.7	-76.4	0	0	0	114	W411 F414 V429 I497 L500 L509 I527	W411-F427 HydrophobicContact CZ3-CE2 4.23Å; F414-F427 HydrophobicContact CD1-CB 3.88Å; F414-F427 HydrophobicContact CE1-CB 4.26Å; F414-F427 HydrophobicContact CG-CB 4.09Å; F427-V429 HydrophobicContact CD2-CG1 4.01Å; F427-V429 HydrophobicContact CE2-CG1 4.23Å; F427-I497 HydrophobicContact CD1-CB 3.92Å; F427-I497 HydrophobicContact CD1-CG2 4.15Å; F427-I497 HydrophobicContact CE1-CB 3.59Å; F427-I497 HydrophobicContact CE1-CD1 3.61Å; F427-I497 HydrophobicContact CE1-CG1 4.21Å; F427-I497 HydrophobicContact CE1-CG2 3.69Å; F427-I497 HydrophobicContact CE2-CD1 4.21Å; F427-I497 HydrophobicContact CZ-CB 4.21Å; F427-I497 HydrophobicContact CZ-CD1 3.37Å; F427-I497 HydrophobicContact CZ-CG1 4.37Å; F427-I497 PolarHBondContact N-O 3.09Å; F427-I497 PolarHBondContact O-N 3.43Å; F427-L500 HydrophobicContact CD1-CD1 3.86Å; F427-L500 HydrophobicContact CD1-CD2 4.15Å; F427-L500 HydrophobicContact CD1-CG 4.16Å; F427-L500 HydrophobicContact CE1-CD1 4.4Å; F427-L500 HydrophobicContact CE1-CD2 3.85Å; F427-L500 HydrophobicContact CE1-CG 4.34Å; F427-L509 HydrophobicContact CE2-CD2 3.86Å; F427-L509 HydrophobicContact CZ-CD2 4.14Å; F427-I527 HydrophobicContact CE1-CD1 4.46Å; F427-I527 HydrophobicContact CZ-CD1 4Å
428	E	83.9	Confident	78.6	Confident	68 Å²	68	46.9 Å²	46.9	32%	0.318	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.4	-176.4	-170.9	173.5	149.1	0	0	110.6	F414 L495 K496	F414-E428 HydrophobicContact CE2-CB 4.37Å; F414-E428 WeakPolarHBondContact CE2-O 3.49Å; F414-E428 HydrophobicContact CZ-CB 4.02Å; E428-L495 CarbonylContact C-O 3.39Å; E428-L495 WeakPolarHBondContact CA-O 3.35Å; E428-K496 HydrophobicContact CB-CG 4.29Å; E428-K496 HydrophobicContact CG-CB 4.18Å; E428-K496 HydrophobicContact CG-CG 4.18Å; E428-K496 IonicContact OE2-NZ 3.72Å; E428-K496 PolarHBondContact OE2-NZ 3.29Å
429	V	88.5	Confident	79.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.2	-173.8	-64.6	0	0	0	0	111.4	I408 W411 F427 W445 L495 L509	I408-V429 HydrophobicContact CG2-CB 4.3Å; W411-V429 HydrophobicContact CE3-CG1 3.84Å; W411-V429 HydrophobicContact CZ3-CG1 4.31Å; F427-V429 HydrophobicContact CD2-CG1 4.01Å; F427-V429 HydrophobicContact CE2-CG1 4.23Å; V429-W445 HydrophobicContact CB-CH2 4.37Å; V429-W445 HydrophobicContact CG2-CH2 3.58Å; V429-W445 HydrophobicContact CG2-CZ2 4.33Å; V429-W445 HydrophobicContact CG2-CZ3 3.93Å; V429-L495 HydrophobicContact CG2-CB 4Å; V429-L495 HydrophobicContact CG2-CD2 4.03Å; V429-L495 HydrophobicContact CG2-CG 4.18Å; V429-L495 PolarHBondContact N-O 2.88Å; V429-L495 PolarHBondContact O-N 2.96Å; V429-L509 HydrophobicContact CG2-CD2 4.09Å
430	T	90.3	Very high	80.8	Confident	12 Å²	12	44.3 Å²	44.3	7%	0.074	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.2	178.8	-52.9	0	0	0	0	110.5	I408 I409 D410 S493 R494	I408-T430 CarbonylContact C-O 3.57Å; I408-T430 WeakPolarHBondContact CA-O 3.46Å; I409-T430 HydrophobicContact CD1-CG2 4.12Å; I409-T430 HydrophobicContact CG1-CG2 4.12Å; I409-T430 PolarHBondContact N-O 3.08Å; I409-T430 PolarHBondContact O-N 2.81Å; D410-T430 VanDerWaalsContact OD2-CB 3.24Å; D410-T430 WeakPolarHBondContact OD2-CB 3.26Å; D410-T430 PolarHBondContact OD2-OG1 3.08Å; T430-S493 CarbonylContact C-O 3.53Å; T430-R494 HydrophobicContact CG2-CG 4Å
431	C	92	Very high	81.5	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.2	171.4	-171.2	0	0	0	0	110.7	E407 W445 L492 S493 C511	E407-C431 CarbonylContact O-C 3.57Å; E407-C431 VanDerWaalsContact O-CA 3.27Å; E407-C431 WeakPolarHBondContact O-CA 2.97Å; C431-W445 HydrophobicContact CB-CH2 3.79Å; C431-W445 HydrophobicContact CB-CZ2 3.4Å; C431-W445 VanDerWaalsContact CB-CZ2 3.4Å; C431-L492 CarbonylContact O-C 3.5Å; C431-L492 WeakPolarHBondContact O-CA 3.33Å; C431-S493 PolarHBondContact N-O 2.77Å; C431-S493 PolarHBondContact O-N 2.86Å; C431-C511 HydrophobicContact CB-CB 3.77Å; C431-C511 WeakPolarHBondContact CB-SG 3.47Å; C431-C511 WeakPolarHBondContact SG-CB 3.19Å; C431-C511 CovalentContact SG-SG 2.04Å; C431-C511 PolarHBondContact SG-SG 2.87Å
432	R	92.8	Very high	82.2	Confident	91 Å²	91	48.3 Å²	48.3	34%	0.343	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.8	-177.4	171.9	167.8	69.8	-172.5	3.3	110.6	P406 E407 T434 L492	P406-R432 CarbonylContact C-O 3.59Å; P406-R432 WeakPolarHBondContact CA-O 3.23Å; E407-R432 HydrophobicContact CB-CB 4.47Å; E407-R432 PolarHBondContact N-O 3.36Å; E407-R432 PolarHBondContact O-N 2.99Å; E407-R432 IonicContact OE1-CZ 2.88Å; E407-R432 IonicContact OE1-NH2 2.6Å; E407-R432 PolarHBondContact OE1-NH2 2.06Å; E407-R432 IonicContact OE2-CZ 3.53Å; E407-R432 IonicContact OE2-NE 3.49Å; E407-R432 PolarHBondContact OE2-NE 2.84Å; E407-R432 IonicContact OE2-NH2 3.42Å; E407-R432 PolarHBondContact OE2-NH2 2.92Å; R432-T434 HydrophobicContact CG-CG2 4.48Å; R432-L492 HydrophobicContact CB-CD2 4.07Å; R432-L492 HydrophobicContact CG-CD2 4.21Å
433	V	90.5	Very high	82.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.5	171.6	-170.8	0	0	0	0	109.6	P403 P406 V443 K490 I491 V513	P403-V433 HydrophobicContact CB-CG1 4.18Å; P406-V433 HydrophobicContact CB-CG2 4.22Å; V433-V443 HydrophobicContact CG2-CG2 3.81Å; V433-K490 CarbonylContact O-C 3.53Å; V433-K490 VanDerWaalsContact O-CA 3.26Å; V433-K490 WeakPolarHBondContact O-CA 3.36Å; V433-K490 WeakPolarHBondContact O-CB 3.47Å; V433-I491 HydrophobicContact CB-CB 4.18Å; V433-I491 PolarHBondContact N-O 3.22Å; V433-I491 PolarHBondContact O-N 3.19Å; V433-V513 HydrophobicContact CG1-CG1 4.49Å; V433-V513 HydrophobicContact CG1-CG2 4.4Å; V433-V513 HydrophobicContact CG2-CB 4.25Å; V433-V513 HydrophobicContact CG2-CG1 4.48Å; V433-V513 HydrophobicContact CG2-CG2 4.32Å
434	T	86.7	Confident	83.7	Confident	71 Å²	71	42 Å²	42	44%	0.436	25%	0.245	S	C	.	.	S	Bend	trans	-144.9	121.3	-177.6	37.3	0	0	0	0	110.4	G404 R432 K490	G404-T434 WeakPolarHBondContact CA-O 3.21Å; R432-T434 HydrophobicContact CG-CG2 4.48Å; T434-K490 HydrophobicContact CG2-CB 3.56Å
435	P	86	Confident	84.4	Confident	51 Å²	51	40.6 Å²	40.6	33%	0.331	23%	0.228	S	C	.	.	S	Bend	cis	-73.6	171.5	-5.6	33.2	-37.7	0	0	0	113	G404 G437	G404-P435 PolarHBondContact N-O 2.99Å; P435-G437 PolarHBondContact O-N 3.05Å
436	P	84.7	Confident	84.9	Confident	13 Å²	13	40 Å²	40	8%	0.084	22%	0.22	C	C	.	.			trans	-74.2	-21.4	-178.5	29.7	-36.5	0	0	0	114.3	P403 P440 G441 E489 I491	P403-P436 WeakPolarHBondContact CB-O 3.36Å; P403-P436 WeakPolarHBondContact CG-O 3.33Å; P436-P440 WeakPolarHBondContact O-CA 3.46Å; P436-G441 PolarHBondContact O-N 2.87Å; P436-E489 WeakPolarHBondContact CD-O 3.3Å; P436-I491 HydrophobicContact CB-CD1 4.09Å; P436-I491 HydrophobicContact CB-CG1 3.72Å
437	G	77.1	Confident	85.2	Confident	12 Å²	12	36.8 Å²	36.8	12%	0.124	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	166.3	-172.8	0	0	0	0	0	113.6	S401 P435 P439	S401-G437 WeakPolarHBondContact O-CA 3.45Å; P435-G437 PolarHBondContact O-N 3.05Å; G437-P439 CarbonylContact C-O 3.42Å; G437-P439 CarbonylContact O-C 3.51Å
438	N	76.6	Confident	85	Confident	103 Å²	103	38 Å²	38	55%	0.551	21%	0.205	S	C	*	.	B	Isolated β-bridge	trans	-136.5	106.8	173.8	-173.4	13.8	0	0	0	110.3	H400 S401	H400-N438 WeakPolarHBondContact CA-O 3.39Å; S401-N438 PolarHBondContact N-O 3.09Å; S401-N438 PolarHBondContact O-N 3.24Å; S401-N438 VanDerWaalsContact OG-CB 3.3Å; S401-N438 WeakPolarHBondContact OG-CB 3Å; S401-N438 PolarHBondContact OG-N 3.24Å
439	P	77.8	Confident	84.2	Confident	36 Å²	36	37.1 Å²	37.1	23%	0.234	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	cis	-65.6	158.1	-2	28.6	-35.7	0	0	0	113.1	H400 G437 H515 Q516	H400-P439 VanDerWaalsContact ND1-CD 3.3Å; H400-P439 WeakPolarHBondContact ND1-CD 3.35Å; G437-P439 CarbonylContact C-O 3.42Å; G437-P439 CarbonylContact O-C 3.51Å; P439-H515 PolarHBondContact O-CD2 3.24Å; P439-H515 VanDerWaalsContact O-CD2 3.28Å; P439-H515 PolarHBondContact O-NE2 2.72Å; P439-Q516 HydrophobicContact CG-CG 4.49Å
440	P	82.2	Confident	82.7	Confident	74 Å²	74	37.7 Å²	37.7	48%	0.481	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	143	-179.8	-27	36	0	0	0	113.9	P436	P436-P440 WeakPolarHBondContact O-CA 3.46Å
441	G	81.9	Confident	81	Confident	6 Å²	6	41.4 Å²	41.4	6%	0.062	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-72.2	154.8	178.4	0	0	0	0	0	114.3	P436 I491 R514	P436-G441 PolarHBondContact O-N 2.87Å; G441-I491 WeakPolarHBondContact O-CD1 3.2Å; G441-R514 CarbonylContact C-O 3.58Å; G441-R514 WeakPolarHBondContact CA-O 3.12Å
442	Q	87	Confident	78.6	Confident	123 Å²	123	43.1 Å²	43.1	58%	0.575	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98	121.7	174.3	-178	-172.4	31.1	0	0	110.3	V444 V513 R514	Q442-V444 HydrophobicContact CG-CG2 4.31Å; Q442-V513 CarbonylContact O-C 3.54Å; Q442-V513 WeakPolarHBondContact O-CA 3.19Å; Q442-R514 HydrophobicContact CB-CB 4.37Å; Q442-R514 PolarHBondContact N-O 3.34Å; Q442-R514 PolarHBondContact O-N 2.61Å
443	V	87.9	Confident	76.1	Confident	18 Å²	18	42.8 Å²	42.8	11%	0.109	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	138.6	175.3	-179.2	0	0	0	0	110.8	V433 I491 A512 V513	V433-V443 HydrophobicContact CG2-CG2 3.81Å; V443-I491 HydrophobicContact CG2-CB 4.34Å; V443-I491 HydrophobicContact CG2-CG2 3.76Å; V443-A512 CarbonylContact C-O 3.58Å; V443-A512 WeakPolarHBondContact CA-O 3.32Å; V443-V513 HydrophobicContact CG2-CB 4.46Å; V443-V513 HydrophobicContact CG2-CG2 4.26Å
444	V	86.6	Confident	73.5	Confident	36 Å²	36	45.6 Å²	45.6	22%	0.218	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	133	-176.1	-177.8	0	0	0	0	110	Q442 A512	Q442-V444 HydrophobicContact CG-CG2 4.31Å; V444-A512 PolarHBondContact N-O 3.35Å; V444-A512 PolarHBondContact O-N 2.93Å
445	W	87.3	Confident	71	Confident	9 Å²	9	43.8 Å²	43.8	3%	0.034	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.1	172.3	-70.1	98.9	0	0	0	111.7	I408 V429 C431 I477 S493 L495 L509 V510 C511	I408-W445 HydrophobicContact CD1-CZ3 4.02Å; I408-W445 HydrophobicContact CG1-CH2 3.98Å; I408-W445 HydrophobicContact CG1-CZ3 3.97Å; V429-W445 HydrophobicContact CB-CH2 4.37Å; V429-W445 HydrophobicContact CG2-CH2 3.58Å; V429-W445 HydrophobicContact CG2-CZ2 4.33Å; V429-W445 HydrophobicContact CG2-CZ3 3.93Å; C431-W445 HydrophobicContact CB-CH2 3.79Å; C431-W445 HydrophobicContact CB-CZ2 3.4Å; C431-W445 VanDerWaalsContact CB-CZ2 3.4Å; W445-I477 HydrophobicContact CB-CD1 4.28Å; W445-S493 WeakPolarHBondContact CZ2-O 3.23Å; W445-S493 PolarHBondContact NE1-OG 3.46Å; W445-L495 HydrophobicContact CB-CD2 4.39Å; W445-L495 HydrophobicContact CD2-CB 3.9Å; W445-L495 HydrophobicContact CD2-CD2 3.69Å; W445-L495 HydrophobicContact CD2-CG 4.39Å; W445-L495 HydrophobicContact CE3-CB 4.35Å; W445-L495 HydrophobicContact CE3-CD2 3.47Å; W445-L495 VanDerWaalsContact CE3-CD2 3.47Å; W445-L495 HydrophobicContact CG-CB 4.3Å; W445-L495 HydrophobicContact CG-CD2 4.14Å; W445-L495 HydrophobicContact CH2-CB 4.22Å; W445-L495 HydrophobicContact CH2-CD2 4.37Å; W445-L495 HydrophobicContact CZ2-CB 3.76Å; W445-L495 HydrophobicContact CZ3-CB 4.5Å; W445-L495 HydrophobicContact CZ3-CD2 3.85Å; W445-L509 HydrophobicContact CE3-CD1 4.28Å; W445-L509 HydrophobicContact CE3-CG 4.44Å; W445-L509 HydrophobicContact CZ3-CD2 4.26Å; W445-L509 HydrophobicContact CZ3-CG 4.32Å; W445-V510 WeakPolarHBondContact CA-O 3.32Å; W445-C511 HydrophobicContact CD2-CB 4.35Å; W445-C511 HydrophobicContact CE3-CB 3.96Å; W445-C511 HydrophobicContact CH2-CB 4.29Å; W445-C511 HydrophobicContact CZ3-CB 3.92Å
446	R	87.9	Confident	68.6	Low	21 Å²	21	46 Å²	46	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.4	175.7	60	-167	-169.9	-136.4	7.3	111.7	E448 V474 I475 V510 E520	R446-E448 HydrophobicContact CG-CG 4.41Å; R446-E448 IonicContact CZ-OE1 2.83Å; R446-E448 IonicContact NE-OE1 2.67Å; R446-E448 PolarHBondContact NE-OE1 3.24Å; R446-E448 IonicContact NH2-OE1 2.59Å; R446-E448 PolarHBondContact NH2-OE1 3.46Å; R446-V474 HydrophobicContact CB-CG1 3.88Å; R446-V474 HydrophobicContact CG-CG1 4.34Å; R446-I475 WeakPolarHBondContact CA-O 2.99Å; R446-V510 HydrophobicContact CG-CB 3.91Å; R446-V510 HydrophobicContact CG-CG1 4.41Å; R446-V510 PolarHBondContact N-O 2.61Å; R446-V510 PolarHBondContact O-N 2.69Å; R446-E520 IonicContact CZ-OE1 3.33Å; R446-E520 VanDerWaalsContact NH1-CD 3.31Å; R446-E520 IonicContact NH1-OE1 2.74Å; R446-E520 PolarHBondContact NH1-OE1 2.97Å; R446-E520 IonicContact NH1-OE2 3.47Å; R446-E520 PolarHBondContact NH1-OE2 3.13Å; R446-E520 IonicContact NH2-OE1 2.97Å; R446-E520 PolarHBondContact NH2-OE1 3.21Å
447	F	81.5	Confident	66.3	Low	18 Å²	18	47 Å²	47	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.4	154.7	-49.9	-86.3	0	0	0	108.5	I475 I477 I497 L507 L509 I527	F447-I475 HydrophobicContact CB-CB 4.19Å; F447-I475 HydrophobicContact CD2-CB 4.19Å; F447-I475 HydrophobicContact CD2-CG2 4.14Å; F447-I475 PolarHBondContact N-O 2.7Å; F447-I475 PolarHBondContact O-N 3.19Å; F447-I477 HydrophobicContact CD2-CD1 4Å; F447-I477 HydrophobicContact CD2-CG1 3.82Å; F447-I477 HydrophobicContact CE1-CD1 4.4Å; F447-I477 HydrophobicContact CE2-CD1 3.68Å; F447-I477 HydrophobicContact CE2-CG1 3.64Å; F447-I477 HydrophobicContact CZ-CD1 3.91Å; F447-I477 HydrophobicContact CZ-CG1 4.36Å; F447-I497 HydrophobicContact CE1-CD1 4.11Å; F447-I497 HydrophobicContact CZ-CD1 3.64Å; F447-L507 HydrophobicContact CB-CD1 4.28Å; F447-L507 HydrophobicContact CG-CD1 4.46Å; F447-L509 HydrophobicContact CD1-CB 4.38Å; F447-L509 HydrophobicContact CD1-CD1 3.95Å; F447-L509 HydrophobicContact CE1-CD1 3.92Å; F447-I527 HydrophobicContact CD1-CD1 4.15Å; F447-I527 HydrophobicContact CE1-CD1 3.72Å
448	E	76.2	Confident	64.4	Low	33 Å²	33	50.1 Å²	50.1	15%	0.154	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.9	161	-73.7	173	-167.9	0	0	108.1	R446 V474 D508 V510	R446-E448 HydrophobicContact CG-CG 4.41Å; R446-E448 IonicContact CZ-OE1 2.83Å; R446-E448 IonicContact NE-OE1 2.67Å; R446-E448 PolarHBondContact NE-OE1 3.24Å; R446-E448 IonicContact NH2-OE1 2.59Å; R446-E448 PolarHBondContact NH2-OE1 3.46Å; E448-V474 HydrophobicContact CG-CG2 4.47Å; E448-D508 PolarHBondContact N-O 2.88Å; E448-D508 PolarHBondContact O-N 2.79Å; E448-V510 HydrophobicContact CB-CG2 4.02Å; E448-V510 HydrophobicContact CG-CG2 3.86Å
449	N	66.5	Low	62.4	Low	50 Å²	50	48.1 Å²	48.1	27%	0.267	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-69.3	127.3	159.1	-177.2	-11.1	0	0	0	106.2	Y451 S452 L507	N449-Y451 PolarHBondContact O-N 3.19Å; N449-Y451 VanDerWaalsContact OD1-CB 3.24Å; N449-Y451 WeakPolarHBondContact OD1-CB 3.25Å; N449-Y451 WeakPolarHBondContact OD1-CD2 3.32Å; N449-Y451 VanDerWaalsContact OD1-CG 3.32Å; N449-Y451 PolarHBondContact OD1-N 3.07Å; N449-S452 PolarHBondContact O-N 3.43Å; N449-S452 PolarHBondContact O-OG 2.83Å; N449-L507 HydrophobicContact CB-CD2 4.32Å
450	P	58.2	Low	60.3	Low	13 Å²	13	47.3 Å²	47.3	8%	0.084	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.9	174.2	25.9	-38.7	0	0	0	113.2	S453 G506	P450-S453 PolarHBondContact O-OG 3.17Å; P450-G506 VanDerWaalsContact CD-O 3.23Å; P450-G506 WeakPolarHBondContact CD-O 3.38Å; P450-G506 WeakPolarHBondContact CG-O 3.28Å
451	Y	52.8	Low	58.1	Low	91 Å²	91	46 Å²	46	36%	0.357	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-10.6	-179.3	-48.4	-29.6	0	0	0	112.8	N449 S453 M454 S1196	N449-Y451 PolarHBondContact O-N 3.19Å; N449-Y451 VanDerWaalsContact OD1-CB 3.24Å; N449-Y451 WeakPolarHBondContact OD1-CB 3.25Å; N449-Y451 WeakPolarHBondContact OD1-CD2 3.32Å; N449-Y451 VanDerWaalsContact OD1-CG 3.32Å; N449-Y451 PolarHBondContact OD1-N 3.07Å; Y451-S453 VanDerWaalsContact C-N 3.27Å; Y451-S453 PolarHBondContact O-N 2.96Å; Y451-M454 WeakPolarHBondContact O-CB 3.49Å; Y451-M454 PolarHBondContact O-N 3.44Å; Y451-S1196 VanDerWaalsContact CB-CB 3.48Å; Y451-S1196 WeakPolarHBondContact CB-OG 3.42Å; Y451-S1196 WeakPolarHBondContact CD1-OG 3.34Å
452	S	43.4	Very low	55.7	Low	36 Å²	36	48.3 Å²	48.3	25%	0.252	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.9	175.3	58.9	0	0	0	0	114.7	N449 N473	N449-S452 PolarHBondContact O-N 3.43Å; N449-S452 PolarHBondContact O-OG 2.83Å; S452-N473 PolarHBondContact OG-O 2.98Å
453	S	39.1	Very low	53	Low	85 Å²	85	43.6 Å²	43.6	59%	0.594	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	1.4	168.1	64.4	0	0	0	0	113.4	P450 Y451	P450-S453 PolarHBondContact O-OG 3.17Å; Y451-S453 VanDerWaalsContact C-N 3.27Å; Y451-S453 PolarHBondContact O-N 2.96Å
454	M	35.8	Very low	50.2	Low	59 Å²	59	45.9 Å²	45.9	29%	0.291	26%	0.255	S	S	.	.	S	Bend	trans	-74.2	127	165.3	-76.7	-135.4	-175.9	0	0	108.4	Y451 Q458 S1196	Y451-M454 WeakPolarHBondContact O-CB 3.49Å; Y451-M454 PolarHBondContact O-N 3.44Å; M454-Q458 HydrophobicContact CB-CB 3.79Å; M454-Q458 HydrophobicContact CG-CB 4.4Å; M454-Q458 HydrophobicContact SD-CB 3.93Å; M454-Q458 PolarHBondContact SD-NE2 2.92Å; M454-Q458 VanDerWaalsContact SD-NE2 3.37Å; M454-S1196 WeakPolarHBondContact CE-OG 3.08Å; M454-S1196 WeakPolarHBondContact CG-OG 3.48Å; M454-S1196 PolarHBondContact SD-OG 2.87Å
455	N	33.7	Very low	47.3	Very low	32 Å²	32	50.7 Å²	50.7	17%	0.171	28%	0.279	C	S	.	.			trans	-59.7	162.4	-176	-167.5	9	0	0	0	110.6	D457 Q458 N1221 V1222	N455-D457 PolarHBondContact O-N 2.69Å; N455-Q458 HydrophobicContact CB-CG 4.49Å; N455-Q458 VanDerWaalsContact CB-OE1 3.29Å; N455-Q458 WeakPolarHBondContact O-CA 3.12Å; N455-Q458 VanDerWaalsContact O-CB 3.28Å; N455-Q458 WeakPolarHBondContact O-CB 3.08Å; N455-Q458 PolarHBondContact O-N 3.27Å; N455-N1221 PolarHBondContact ND2-O 3.22Å; N455-N1221 WeakPolarHBondContact OD1-CB 3.49Å; N455-N1221 PolarHBondContact OD1-O 2.82Å; N455-V1222 WeakPolarHBondContact OD1-CG2 3.33Å
456	L	37	Very low	44.5	Very low	97 Å²	97	52.5 Å²	52.5	51%	0.508	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	24	178.9	-163.5	125.9	0	0	0	114	L459 N1221	L456-L459 CarbonylContact C-O 3.53Å; L456-L459 HydrophobicContact CB-CD1 4.23Å; L456-L459 HydrophobicContact CD1-CD1 3.42Å; L456-L459 VanDerWaalsContact CD1-CD1 3.42Å; L456-L459 HydrophobicContact CG-CB 4.28Å; L456-L459 HydrophobicContact CG-CD1 3.62Å; L456-N1221 HydrophobicContact CB-CB 3.78Å; L456-N1221 WeakPolarHBondContact CD2-OD1 3.46Å; L456-N1221 PolarHBondContact O-ND2 2.76Å
457	D	34.9	Very low	41.5	Very low	35 Å²	35	60.7 Å²	60.7	19%	0.187	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	14.7	163.8	-65.7	-106	0	0	0	111.1	N455 L459 H1203 W1220 N1221	N455-D457 PolarHBondContact O-N 2.69Å; D457-L459 CarbonylContact C-O 3.42Å; D457-L459 WeakPolarHBondContact CA-O 3.07Å; D457-L459 PolarHBondContact N-O 2.97Å; D457-H1203 IonicContact OD1-CG 3.92Å; D457-W1220 PolarHBondContact OD2-NE1 3.23Å; D457-N1221 PolarHBondContact OD2-ND2 3.46Å
458	Q	37.3	Very low	39.1	Very low	77 Å²	77	64.7 Å²	64.7	36%	0.36	35%	0.345	S	S	.	.	S	Bend	trans	-144.2	39.9	-174.5	-54.3	175.2	-103.9	0	0	113.7	M454 N455	M454-Q458 HydrophobicContact CB-CB 3.79Å; M454-Q458 HydrophobicContact CG-CB 4.4Å; M454-Q458 HydrophobicContact SD-CB 3.93Å; M454-Q458 PolarHBondContact SD-NE2 2.92Å; M454-Q458 VanDerWaalsContact SD-NE2 3.37Å; N455-Q458 HydrophobicContact CB-CG 4.49Å; N455-Q458 VanDerWaalsContact CB-OE1 3.29Å; N455-Q458 WeakPolarHBondContact O-CA 3.12Å; N455-Q458 VanDerWaalsContact O-CB 3.28Å; N455-Q458 WeakPolarHBondContact O-CB 3.08Å; N455-Q458 PolarHBondContact O-N 3.27Å
459	L	35.2	Very low	36.7	Very low	62 Å²	62	66.7 Å²	66.7	33%	0.325	36%	0.361	S	S	.	.	S	Bend	cis	37	79.5	-10.5	-54.6	177.5	0	0	0	120.2	L456 D457 S1197	L456-L459 CarbonylContact C-O 3.53Å; L456-L459 HydrophobicContact CB-CD1 4.23Å; L456-L459 HydrophobicContact CD1-CD1 3.42Å; L456-L459 VanDerWaalsContact CD1-CD1 3.42Å; L456-L459 HydrophobicContact CG-CB 4.28Å; L456-L459 HydrophobicContact CG-CD1 3.62Å; D457-L459 CarbonylContact C-O 3.42Å; D457-L459 WeakPolarHBondContact CA-O 3.07Å; D457-L459 PolarHBondContact N-O 2.97Å; L459-S1197 PolarHBondContact N-O 3.27Å
460	T	33.2	Very low	34.9	Very low	18 Å²	18	70 Å²	70	11%	0.11	39%	0.389	C	S	.	.			trans	163	174.6	-165.1	178.1	0	0	0	0	107.3	F462 F1198 S1199 K1201 H1203	T460-F462 PolarHBondContact O-N 2.71Å; T460-F1198 CarbonylContact O-C 3.45Å; T460-F1198 WeakPolarHBondContact O-CA 3.43Å; T460-F1198 WeakPolarHBondContact O-CB 3.37Å; T460-F1198 WeakPolarHBondContact O-CD2 3.34Å; T460-F1198 WeakPolarHBondContact O-CG 3.26Å; T460-S1199 VanDerWaalsContact CB-O 3.23Å; T460-S1199 WeakPolarHBondContact CB-O 3.3Å; T460-S1199 PolarHBondContact O-N 2.85Å; T460-K1201 WeakPolarHBondContact CB-O 2.98Å; T460-K1201 VanDerWaalsContact CG2-O 3.29Å; T460-K1201 WeakPolarHBondContact CG2-O 3.44Å; T460-K1201 VanDerWaalsContact OG1-C 3.28Å; T460-K1201 PolarHBondContact OG1-N 3.17Å; T460-K1201 PolarHBondContact OG1-O 2.97Å; T460-H1203 VanDerWaalsContact CG2-CD2 3.48Å; T460-H1203 WeakPolarHBondContact CG2-CD2 3.42Å
461	A	36.5	Very low	33.8	Very low	47 Å²	47	73.4 Å²	73.4	39%	0.388	41%	0.405	S	S	.	.	S	Bend	trans	51.8	-39.3	170.2	0	0	0	0	0	123.9	F1198 T1200	A461-F1198 HydrophobicContact CB-CD1 4.28Å; A461-F1198 HydrophobicContact CB-CD2 3.71Å; A461-F1198 HydrophobicContact CB-CE1 4.07Å; A461-F1198 HydrophobicContact CB-CE2 3.5Å; A461-F1198 HydrophobicContact CB-CG 4.08Å; A461-F1198 HydrophobicContact CB-CZ 3.68Å; A461-T1200 WeakPolarHBondContact CA-OG1 3.45Å; A461-T1200 PolarHBondContact O-OG1 2.9Å
462	F	32.8	Very low	33	Very low	55 Å²	55	76.5 Å²	76.5	24%	0.241	42%	0.421	C	S	.	.	S	Bend	trans	-93.8	113.2	173.2	-64.9	-144.7	0	0	0	111.8	T460 K557 E624 F1198 S1199 T1200	T460-F462 PolarHBondContact O-N 2.71Å; F462-K557 WeakPolarHBondContact O-CE 3.18Å; F462-E624 WeakPolarHBondContact CZ-OE1 2.98Å; F462-F1198 HydrophobicContact CD2-CB 4.2Å; F462-F1198 AromaticContact CD2-CD1 3.48Å; F462-F1198 HydrophobicContact CD2-CD1 3.48Å; F462-F1198 VanDerWaalsContact CD2-CD1 3.48Å; F462-F1198 HydrophobicContact CD2-CE1 4.2Å; F462-F1198 HydrophobicContact CD2-CG 4.07Å; F462-F1198 AromaticContact CE2-CD1 3.37Å; F462-F1198 HydrophobicContact CE2-CD1 3.37Å; F462-F1198 AromaticContact CE2-CE1 3.93Å; F462-F1198 HydrophobicContact CE2-CE1 3.93Å; F462-F1198 HydrophobicContact CE2-CG 4.34Å; F462-S1199 CarbonylContact O-C 3.52Å; F462-S1199 VanDerWaalsContact O-C 3.27Å; F462-S1199 WeakPolarHBondContact O-CA 3.27Å; F462-S1199 PolarHBondContact O-N 3.08Å; F462-T1200 VanDerWaalsContact C-N 3.35Å; F462-T1200 WeakPolarHBondContact CA-OG1 3.04Å; F462-T1200 PolarHBondContact N-OG1 2.84Å; F462-T1200 VanDerWaalsContact N-OG1 3.11Å; F462-T1200 PolarHBondContact O-N 2.98Å; F462-T1200 PolarHBondContact O-OG1 2.78Å
463	G	29.4	Very low	33.4	Very low	23 Å²	23	79.6 Å²	79.6	24%	0.237	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-65.4	137.1	-161.9	0	0	0	0	0	120.2	K557 T1200	G463-K557 WeakPolarHBondContact O-CE 3.35Å; G463-K557 PolarHBondContact O-NZ 2.98Å; G463-T1200 WeakPolarHBondContact CA-OG1 3.3Å; G463-T1200 PolarHBondContact N-OG1 2.91Å
464	T	28.1	Very low	34.2	Very low	67 Å²	67	78.6 Å²	78.6	41%	0.411	43%	0.425	S	S	.	.	S	Bend	trans	45.6	146.6	144.1	46.6	0	0	0	0	122
465	D	26.8	Very low	35.2	Very low	136 Å²	136	79.4 Å²	79.4	73%	0.727	43%	0.429	S	S	*	.			trans	59.2	56.8	166.6	-58.8	-9.2	0	0	0	117.3
466	L	28.2	Very low	36.4	Very low	48 Å²	48	82 Å²	82	25%	0.251	45%	0.45	S	S	.	.			trans	-120.5	118.6	149	-81.8	-177.4	0	0	0	111.4	M468 K557 T561	L466-M468 HydrophobicContact CD1-CG 4.45Å; L466-M468 PolarHBondContact O-N 3.14Å; L466-M468 VanDerWaalsContact O-N 3.12Å; L466-K557 HydrophobicContact CD1-CB 3.63Å; L466-K557 HydrophobicContact CD1-CD 4.11Å; L466-K557 HydrophobicContact CD1-CG 4.06Å; L466-K557 HydrophobicContact CD2-CB 4.49Å; L466-K557 HydrophobicContact CG-CB 3.92Å; L466-K557 HydrophobicContact CG-CD 4.37Å; L466-T561 HydrophobicContact CD2-CG2 4.26Å
467	K	26	Very low	38	Very low	192 Å²	192	78.3 Å²	78.3	84%	0.835	43%	0.43	S	S	*	.			trans	-72.2	84.1	142.3	-73.3	-178.8	-178.8	174.5	0	106.7	T561	K467-T561 WeakPolarHBondContact O-CG2 3.48Å
468	M	29.4	Very low	39.5	Very low	102 Å²	102	79.1 Å²	79.1	50%	0.502	44%	0.439	S	S	.	.			trans	-57.1	129.7	165.4	-117.9	-168.4	-180	0	0	107.1	L466 I471	L466-M468 HydrophobicContact CD1-CG 4.45Å; L466-M468 PolarHBondContact O-N 3.14Å; L466-M468 VanDerWaalsContact O-N 3.12Å; M468-I471 HydrophobicContact CE-CD1 4.2Å; M468-I471 HydrophobicContact SD-CD1 4.14Å
469	P	26.8	Very low	40.6	Very low	75 Å²	75	82.3 Å²	82.3	49%	0.487	46%	0.458	S	S	.	.			trans	-57.6	155.3	169.6	26.7	-33.9	0	0	0	108.4	I471	P469-I471 HydrophobicContact CG-CG1 4.49Å; P469-I471 PolarHBondContact O-N 2.76Å
470	S	28.1	Very low	42.1	Very low	121 Å²	121	88 Å²	88	85%	0.846	48%	0.483	S	S	*	.			trans	-70.9	70.4	179.3	30.1	0	0	0	0	111.3	K472	S470-K472 PolarHBondContact O-N 2.89Å; S470-K472 VanDerWaalsContact O-N 3.14Å
471	I	35.7	Very low	43.7	Very low	84 Å²	84	89.9 Å²	89.9	43%	0.431	49%	0.493	S	S	.	.			trans	-51.3	119.4	167.2	-62	172.4	0	0	0	106	M468 P469 N473	M468-I471 HydrophobicContact CE-CD1 4.2Å; M468-I471 HydrophobicContact SD-CD1 4.14Å; P469-I471 HydrophobicContact CG-CG1 4.49Å; P469-I471 PolarHBondContact O-N 2.76Å; I471-N473 PolarHBondContact O-N 3.22Å; I471-N473 PolarHBondContact O-OD1 3.4Å
472	K	36.5	Very low	45.6	Very low	156 Å²	156	89 Å²	89	68%	0.678	48%	0.482	S	S	*	.			trans	-65.9	102.1	178.6	-65.4	-179.7	177.7	177.3	0	107.8	S470 V474	S470-K472 PolarHBondContact O-N 2.89Å; S470-K472 VanDerWaalsContact O-N 3.14Å; K472-V474 WeakPolarHBondContact CB-O 3.4Å; K472-V474 CarbonylContact O-C 3.57Å; K472-V474 VanDerWaalsContact O-C 3.32Å; K472-V474 PolarHBondContact O-N 3.11Å
473	N	51.7	Low	47.8	Very low	100 Å²	100	91.4 Å²	91.4	54%	0.535	50%	0.497	S	S	.	.	S	Bend	trans	-47	-29.9	176.4	-71	-8.8	0	0	0	112.6	S452 I471	S452-N473 PolarHBondContact OG-O 2.98Å; I471-N473 PolarHBondContact O-N 3.22Å; I471-N473 PolarHBondContact O-OD1 3.4Å
474	V	54.8	Low	50.2	Low	65 Å²	65	94.8 Å²	94.8	39%	0.394	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	109.2	167.2	163.6	0	0	0	0	108.8	R446 E448 K472 S476	R446-V474 HydrophobicContact CB-CG1 3.88Å; R446-V474 HydrophobicContact CG-CG1 4.34Å; E448-V474 HydrophobicContact CG-CG2 4.47Å; K472-V474 WeakPolarHBondContact CB-O 3.4Å; K472-V474 CarbonylContact O-C 3.57Å; K472-V474 VanDerWaalsContact O-C 3.32Å; K472-V474 PolarHBondContact O-N 3.11Å; V474-S476 PolarHBondContact O-N 3.39Å
475	I	58.3	Low	52.7	Low	76 Å²	76	96 Å²	96	39%	0.39	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	97.3	165.4	-53.2	176.7	0	0	0	106.7	R446 F447 I477 L507	R446-I475 WeakPolarHBondContact CA-O 2.99Å; F447-I475 HydrophobicContact CB-CB 4.19Å; F447-I475 HydrophobicContact CD2-CB 4.19Å; F447-I475 HydrophobicContact CD2-CG2 4.14Å; F447-I475 PolarHBondContact N-O 2.7Å; F447-I475 PolarHBondContact O-N 3.19Å; I475-I477 PolarHBondContact O-N 3.14Å; I475-L507 HydrophobicContact CD1-CD1 4.43Å
476	S	57.1	Low	55.3	Low	86 Å²	86	94.6 Å²	94.6	60%	0.601	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	125.9	173.3	53.3	0	0	0	0	110.4	V474	V474-S476 PolarHBondContact O-N 3.39Å
477	I	71.6	Confident	57.9	Low	19 Å²	19	95.3 Å²	95.3	10%	0.097	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-78.8	142	174.7	-57.6	179.3	0	0	0	108.9	W445 F447 I475 N481 L495 I497 L509	W445-I477 HydrophobicContact CB-CD1 4.28Å; F447-I477 HydrophobicContact CD2-CD1 4Å; F447-I477 HydrophobicContact CD2-CG1 3.82Å; F447-I477 HydrophobicContact CE1-CD1 4.4Å; F447-I477 HydrophobicContact CE2-CD1 3.68Å; F447-I477 HydrophobicContact CE2-CG1 3.64Å; F447-I477 HydrophobicContact CZ-CD1 3.91Å; F447-I477 HydrophobicContact CZ-CG1 4.36Å; I475-I477 PolarHBondContact O-N 3.14Å; I477-N481 HydrophobicContact CG2-CB 4.19Å; I477-L495 HydrophobicContact CD1-CD1 4.08Å; I477-L495 HydrophobicContact CD1-CD2 3.7Å; I477-L495 HydrophobicContact CG2-CD1 3.7Å; I477-I497 HydrophobicContact CD1-CD1 4.34Å; I477-L509 HydrophobicContact CD1-CD1 3.65Å
478	S	65.3	Low	60.2	Low	52 Å²	52	94.1 Å²	94.1	36%	0.364	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-64.7	139.7	-179.3	55.6	0	0	0	0	111.9	E480 N481	S478-E480 PolarHBondContact O-N 3.41Å; S478-E480 VanDerWaalsContact O-N 3.12Å; S478-N481 PolarHBondContact O-N 2.6Å; S478-N481 PolarHBondContact OG-ND2 2.81Å
479	N	61.2	Low	62.7	Low	145 Å²	145	95.3 Å²	95.3	78%	0.775	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-59	-24.9	179.2	-69.7	-17.7	0	0	0	113	N481 V482	N479-N481 PolarHBondContact O-N 3.36Å; N479-V482 PolarHBondContact O-N 2.89Å
480	E	67.2	Low	65.6	Low	181 Å²	181	94.7 Å²	94.7	85%	0.846	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-58.2	-29.1	175.6	-60.2	171.9	150.8	0	0	112.9	S478	S478-E480 PolarHBondContact O-N 3.41Å; S478-E480 VanDerWaalsContact O-N 3.12Å
481	N	67.1	Low	68.4	Low	58 Å²	58	89.1 Å²	89.1	31%	0.31	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-90	2	177.8	-70.7	-50.7	0	0	0	113.1	I477 S478 N479 L495 K496	I477-N481 HydrophobicContact CG2-CB 4.19Å; S478-N481 PolarHBondContact O-N 2.6Å; S478-N481 PolarHBondContact OG-ND2 2.81Å; N479-N481 PolarHBondContact O-N 3.36Å; N481-L495 HydrophobicContact CB-CD1 4.1Å; N481-L495 WeakPolarHBondContact O-CA 3.15Å; N481-K496 WeakPolarHBondContact CB-O 3.35Å; N481-K496 PolarHBondContact O-N 3.17Å; N481-K496 PolarHBondContact OD1-O 3.24Å
482	V	74.8	Confident	71	Confident	28 Å²	28	87 Å²	87	17%	0.17	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.3	-168.1	-178.6	0	0	0	0	112.6	N479 S493 R494 L495	N479-V482 PolarHBondContact O-N 2.89Å; V482-S493 WeakPolarHBondContact CG1-OG 3.3Å; V482-R494 CarbonylContact C-O 3.53Å; V482-R494 VanDerWaalsContact CA-O 3.26Å; V482-R494 WeakPolarHBondContact CA-O 3.39Å; V482-L495 HydrophobicContact CG2-CD1 4.4Å
483	I	80.2	Confident	73.5	Confident	105 Å²	105	79.6 Å²	79.6	54%	0.538	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.6	179.9	-55.4	176.7	0	0	0	110.3	S493 R494	I483-S493 CarbonylContact O-C 3.56Å; I483-S493 VanDerWaalsContact O-CA 3.31Å; I483-S493 WeakPolarHBondContact O-CA 3.17Å; I483-R494 HydrophobicContact CB-CB 4.39Å; I483-R494 PolarHBondContact N-O 3.02Å; I483-R494 PolarHBondContact O-N 2.71Å
484	N	78.4	Confident	75.3	Confident	94 Å²	94	80 Å²	80	50%	0.503	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	140.8	-178.1	-66.8	-30.3	0	0	0	112.7	L492 S493	N484-L492 CarbonylContact C-O 3.56Å; N484-L492 WeakPolarHBondContact CA-O 3.15Å; N484-S493 WeakPolarHBondContact OD1-CB 3.41Å; N484-S493 PolarHBondContact OD1-OG 3.18Å
485	Q	82.5	Confident	76.9	Confident	93 Å²	93	77 Å²	77	44%	0.435	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.5	174.6	-58.5	-177.8	-52.5	0	0	109.3	L492	Q485-L492 HydrophobicContact CB-CB 4.4Å; Q485-L492 PolarHBondContact N-O 3.02Å; Q485-L492 PolarHBondContact O-N 3.04Å
486	I	80.8	Confident	78.2	Confident	106 Å²	106	78.5 Å²	78.5	54%	0.544	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.1	177.2	-60.2	167.4	0	0	0	108.3	I491	I486-I491 HydrophobicContact CG1-CG1 4.38Å; I486-I491 HydrophobicContact CG1-CG2 4.02Å
487	T	82	Confident	79.2	Confident	63 Å²	63	75 Å²	75	39%	0.387	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	167.9	167.4	76.8	0	0	0	0	109.8	E489 K490	T487-E489 PolarHBondContact O-N 3.24Å; T487-E489 PolarHBondContact OG1-N 3.12Å; T487-K490 PolarHBondContact N-O 2.99Å; T487-K490 PolarHBondContact O-N 2.88Å; T487-K490 VanDerWaalsContact O-N 3.13Å; T487-K490 VanDerWaalsContact O-O 3.11Å; T487-K490 WeakPolarHBondContact OG1-CG 3.33Å; T487-K490 PolarHBondContact OG1-N 2.7Å
488	D	74.1	Confident	79.6	Confident	167 Å²	167	78.5 Å²	78.5	89%	0.893	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.6	178.9	-51.6	-47.8	0	0	0	113.4
489	E	82.3	Confident	80	Confident	128 Å²	128	81.4 Å²	81.4	60%	0.598	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-32.1	178.6	-58.6	179.4	145.2	0	0	114.3	P436 T487	P436-E489 WeakPolarHBondContact CD-O 3.3Å; T487-E489 PolarHBondContact O-N 3.24Å; T487-E489 PolarHBondContact OG1-N 3.12Å
490	K	87.9	Confident	80.5	Confident	61 Å²	61	74.5 Å²	74.5	27%	0.265	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	160.4	-161.1	58.2	-179.6	163.6	-85.9	0	115	V433 T434 T487 L492	V433-K490 CarbonylContact O-C 3.53Å; V433-K490 VanDerWaalsContact O-CA 3.26Å; V433-K490 WeakPolarHBondContact O-CA 3.36Å; V433-K490 WeakPolarHBondContact O-CB 3.47Å; T434-K490 HydrophobicContact CG2-CB 3.56Å; T487-K490 PolarHBondContact N-O 2.99Å; T487-K490 PolarHBondContact O-N 2.88Å; T487-K490 VanDerWaalsContact O-N 3.13Å; T487-K490 VanDerWaalsContact O-O 3.11Å; T487-K490 WeakPolarHBondContact OG1-CG 3.33Å; T487-K490 PolarHBondContact OG1-N 2.7Å; K490-L492 HydrophobicContact CD-CD1 4.31Å; K490-L492 HydrophobicContact CD-CD2 4.34Å; K490-L492 HydrophobicContact CD-CG 4.25Å
491	I	87.2	Confident	80.7	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.2	164.4	-45.2	-177.7	0	0	0	108.6	V433 P436 G441 V443 I486	V433-I491 HydrophobicContact CB-CB 4.18Å; V433-I491 PolarHBondContact N-O 3.22Å; V433-I491 PolarHBondContact O-N 3.19Å; P436-I491 HydrophobicContact CB-CD1 4.09Å; P436-I491 HydrophobicContact CB-CG1 3.72Å; G441-I491 WeakPolarHBondContact O-CD1 3.2Å; V443-I491 HydrophobicContact CG2-CB 4.34Å; V443-I491 HydrophobicContact CG2-CG2 3.76Å; I486-I491 HydrophobicContact CG1-CG1 4.38Å; I486-I491 HydrophobicContact CG1-CG2 4.02Å
492	L	90.5	Very high	80.6	Confident	39 Å²	39	68.4 Å²	68.4	20%	0.204	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.8	173	-62.9	173.8	0	0	0	109.2	C431 R432 N484 Q485 K490	C431-L492 CarbonylContact O-C 3.5Å; C431-L492 WeakPolarHBondContact O-CA 3.33Å; R432-L492 HydrophobicContact CB-CD2 4.07Å; R432-L492 HydrophobicContact CG-CD2 4.21Å; N484-L492 CarbonylContact C-O 3.56Å; N484-L492 WeakPolarHBondContact CA-O 3.15Å; Q485-L492 HydrophobicContact CB-CB 4.4Å; Q485-L492 PolarHBondContact N-O 3.02Å; Q485-L492 PolarHBondContact O-N 3.04Å; K490-L492 HydrophobicContact CD-CD1 4.31Å; K490-L492 HydrophobicContact CD-CD2 4.34Å; K490-L492 HydrophobicContact CD-CG 4.25Å
493	S	89.5	Confident	80.3	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	117.7	176	-174	0	0	0	0	109.6	T430 C431 W445 V482 I483 N484	T430-S493 CarbonylContact C-O 3.53Å; C431-S493 PolarHBondContact N-O 2.77Å; C431-S493 PolarHBondContact O-N 2.86Å; W445-S493 WeakPolarHBondContact CZ2-O 3.23Å; W445-S493 PolarHBondContact NE1-OG 3.46Å; V482-S493 WeakPolarHBondContact CG1-OG 3.3Å; I483-S493 CarbonylContact O-C 3.56Å; I483-S493 VanDerWaalsContact O-CA 3.31Å; I483-S493 WeakPolarHBondContact O-CA 3.17Å; N484-S493 WeakPolarHBondContact OD1-CB 3.41Å; N484-S493 PolarHBondContact OD1-OG 3.18Å
494	R	89	Confident	79.8	Confident	110 Å²	110	69 Å²	69	42%	0.415	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	147.6	177.1	-51.6	-171.7	-159.8	-177.8	6.3	110.8	T430 V482 I483	T430-R494 HydrophobicContact CG2-CG 4Å; V482-R494 CarbonylContact C-O 3.53Å; V482-R494 VanDerWaalsContact CA-O 3.26Å; V482-R494 WeakPolarHBondContact CA-O 3.39Å; I483-R494 HydrophobicContact CB-CB 4.39Å; I483-R494 PolarHBondContact N-O 3.02Å; I483-R494 PolarHBondContact O-N 2.71Å
495	L	87.9	Confident	79.6	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.1	178	165.5	64.1	0	0	0	110.2	E428 V429 W445 I477 N481 V482 I497 L509	E428-L495 CarbonylContact C-O 3.39Å; E428-L495 WeakPolarHBondContact CA-O 3.35Å; V429-L495 HydrophobicContact CG2-CB 4Å; V429-L495 HydrophobicContact CG2-CD2 4.03Å; V429-L495 HydrophobicContact CG2-CG 4.18Å; V429-L495 PolarHBondContact N-O 2.88Å; V429-L495 PolarHBondContact O-N 2.96Å; W445-L495 HydrophobicContact CB-CD2 4.39Å; W445-L495 HydrophobicContact CD2-CB 3.9Å; W445-L495 HydrophobicContact CD2-CD2 3.69Å; W445-L495 HydrophobicContact CD2-CG 4.39Å; W445-L495 HydrophobicContact CE3-CB 4.35Å; W445-L495 HydrophobicContact CE3-CD2 3.47Å; W445-L495 VanDerWaalsContact CE3-CD2 3.47Å; W445-L495 HydrophobicContact CG-CB 4.3Å; W445-L495 HydrophobicContact CG-CD2 4.14Å; W445-L495 HydrophobicContact CH2-CB 4.22Å; W445-L495 HydrophobicContact CH2-CD2 4.37Å; W445-L495 HydrophobicContact CZ2-CB 3.76Å; W445-L495 HydrophobicContact CZ3-CB 4.5Å; W445-L495 HydrophobicContact CZ3-CD2 3.85Å; I477-L495 HydrophobicContact CD1-CD1 4.08Å; I477-L495 HydrophobicContact CD1-CD2 3.7Å; I477-L495 HydrophobicContact CG2-CD1 3.7Å; N481-L495 HydrophobicContact CB-CD1 4.1Å; N481-L495 WeakPolarHBondContact O-CA 3.15Å; V482-L495 HydrophobicContact CG2-CD1 4.4Å; L495-I497 HydrophobicContact CD1-CD1 4.17Å; L495-I497 HydrophobicContact CD1-CG1 4.09Å; L495-I497 HydrophobicContact CD2-CD1 4.01Å; L495-I497 HydrophobicContact CG-CD1 4.16Å; L495-I497 HydrophobicContact CG-CG1 4.42Å; L495-L509 HydrophobicContact CD2-CD1 3.74Å; L495-L509 HydrophobicContact CD2-CD2 4.07Å; L495-L509 HydrophobicContact CD2-CG 4.45Å
496	K	85.2	Confident	78.9	Confident	107 Å²	107	62.5 Å²	62.5	47%	0.465	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.6	176.6	-165.7	-174.1	-170.1	91.8	0	110.7	E428 N481	E428-K496 HydrophobicContact CB-CG 4.29Å; E428-K496 HydrophobicContact CG-CB 4.18Å; E428-K496 HydrophobicContact CG-CG 4.18Å; E428-K496 IonicContact OE2-NZ 3.72Å; E428-K496 PolarHBondContact OE2-NZ 3.29Å; N481-K496 WeakPolarHBondContact CB-O 3.35Å; N481-K496 PolarHBondContact O-N 3.17Å; N481-K496 PolarHBondContact OD1-O 3.24Å
497	I	79.3	Confident	78.8	Confident	13 Å²	13	58.6 Å²	58.6	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130	179.4	-68.9	155.2	0	0	0	109.9	T426 F427 F447 I477 L495	T426-I497 WeakPolarHBondContact CA-O 3.49Å; F427-I497 HydrophobicContact CD1-CB 3.92Å; F427-I497 HydrophobicContact CD1-CG2 4.15Å; F427-I497 HydrophobicContact CE1-CB 3.59Å; F427-I497 HydrophobicContact CE1-CD1 3.61Å; F427-I497 HydrophobicContact CE1-CG1 4.21Å; F427-I497 HydrophobicContact CE1-CG2 3.69Å; F427-I497 HydrophobicContact CE2-CD1 4.21Å; F427-I497 HydrophobicContact CZ-CB 4.21Å; F427-I497 HydrophobicContact CZ-CD1 3.37Å; F427-I497 HydrophobicContact CZ-CG1 4.37Å; F427-I497 PolarHBondContact N-O 3.09Å; F427-I497 PolarHBondContact O-N 3.43Å; F447-I497 HydrophobicContact CE1-CD1 4.11Å; F447-I497 HydrophobicContact CZ-CD1 3.64Å; I477-I497 HydrophobicContact CD1-CD1 4.34Å; L495-I497 HydrophobicContact CD1-CD1 4.17Å; L495-I497 HydrophobicContact CD1-CG1 4.09Å; L495-I497 HydrophobicContact CD2-CD1 4.01Å; L495-I497 HydrophobicContact CG-CD1 4.16Å; L495-I497 HydrophobicContact CG-CG1 4.42Å
498	T	78.9	Confident	78.8	Confident	92 Å²	92	55.8 Å²	55.8	56%	0.564	29%	0.289	S	S	*	.			trans	-111.6	149.4	179	50.8	0	0	0	0	111.6	T426	T426-T498 HydrophobicContact CG2-CG2 4.13Å
499	N	73.2	Confident	79.4	Confident	113 Å²	113	47.8 Å²	47.8	60%	0.604	25%	0.246	S	C	*	.	S	Bend	trans	57.4	67.5	173.8	-165.6	24.5	0	0	0	114.9	G424 S425 N501	G424-N499 WeakPolarHBondContact CA-OD1 3.31Å; S425-N499 PolarHBondContact O-N 3.09Å; N499-N501 PolarHBondContact O-N 3.31Å
500	L	72.7	Confident	79.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.			trans	-56.3	122.1	176.1	-82.5	159.2	0	0	0	112.7	L421 G424 S425 F427 M504 I527 I529	L421-L500 HydrophobicContact CB-CD1 4.07Å; L421-L500 HydrophobicContact CD1-CD1 3.83Å; L421-L500 HydrophobicContact CD2-CD1 4.36Å; L421-L500 HydrophobicContact CG-CD1 4.3Å; G424-L500 PolarHBondContact N-O 2.63Å; S425-L500 WeakPolarHBondContact O-CB 3.47Å; S425-L500 PolarHBondContact O-N 3.44Å; S425-L500 VanDerWaalsContact OG-CD1 3.27Å; S425-L500 WeakPolarHBondContact OG-CD1 3.29Å; F427-L500 HydrophobicContact CD1-CD1 3.86Å; F427-L500 HydrophobicContact CD1-CD2 4.15Å; F427-L500 HydrophobicContact CD1-CG 4.16Å; F427-L500 HydrophobicContact CE1-CD1 4.4Å; F427-L500 HydrophobicContact CE1-CD2 3.85Å; F427-L500 HydrophobicContact CE1-CG 4.34Å; L500-M504 HydrophobicContact CD2-SD 3.86Å; L500-I527 HydrophobicContact CD2-CG2 4.29Å; L500-I529 HydrophobicContact CB-CD1 4.46Å; L500-I529 HydrophobicContact CD2-CD1 4.2Å
501	N	71.5	Confident	79.9	Confident	75 Å²	75	38.9 Å²	38.9	40%	0.401	21%	0.206	S	C	.	.			trans	-101.9	153.5	-178.7	-169.2	-3.1	0	0	0	111.1	N499 T503 M504 I529	N499-N501 PolarHBondContact O-N 3.31Å; N501-T503 PolarHBondContact ND2-OG1 2.79Å; N501-T503 PolarHBondContact O-N 2.7Å; N501-T503 VanDerWaalsContact O-N 3.15Å; N501-M504 WeakPolarHBondContact O-CB 3.27Å; N501-M504 PolarHBondContact O-N 2.55Å; N501-I529 WeakPolarHBondContact O-CD1 3.18Å
502	S	65.8	Low	80	Confident	35 Å²	35	38.6 Å²	38.6	25%	0.245	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-58.2	-26.5	174.4	57.7	0	0	0	0	112.9	M504 H505	S502-M504 PolarHBondContact O-N 3.31Å; S502-M504 VanDerWaalsContact O-N 3.11Å; S502-H505 WeakPolarHBondContact O-CB 3.26Å; S502-H505 PolarHBondContact O-N 3.3Å
503	T	68.1	Low	79.9	Confident	104 Å²	104	37 Å²	37	64%	0.638	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-62.4	-12.3	171.9	61.4	0	0	0	0	114.5	N501	N501-T503 PolarHBondContact ND2-OG1 2.79Å; N501-T503 PolarHBondContact O-N 2.7Å; N501-T503 VanDerWaalsContact O-N 3.15Å
504	M	70	Confident	79.6	Confident	43 Å²	43	42.2 Å²	42.2	21%	0.212	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-95.2	-0.3	174.5	-56.1	176.2	-178.9	0	0	112.6	L500 N501 S502 G506 I529	L500-M504 HydrophobicContact CD2-SD 3.86Å; N501-M504 WeakPolarHBondContact O-CB 3.27Å; N501-M504 PolarHBondContact O-N 2.55Å; S502-M504 PolarHBondContact O-N 3.31Å; S502-M504 VanDerWaalsContact O-N 3.11Å; M504-G506 PolarHBondContact O-N 2.76Å; M504-I529 HydrophobicContact CB-CD1 3.88Å
505	H	73.4	Confident	79.2	Confident	34 Å²	34	38.3 Å²	38.3	16%	0.157	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	129.6	176.6	-173.4	102.4	0	0	0	110.8	S502 L507 I529	S502-H505 WeakPolarHBondContact O-CB 3.26Å; S502-H505 PolarHBondContact O-N 3.3Å; H505-L507 VanDerWaalsContact C-N 3.32Å; H505-L507 PolarHBondContact O-N 2.81Å; H505-I529 HydrophobicContact CB-CB 4.28Å; H505-I529 PolarHBondContact CE1-O 3.11Å; H505-I529 PolarHBondContact ND1-N 3.36Å; H505-I529 VanDerWaalsContact ND1-N 3.14Å; H505-I529 PolarHBondContact ND1-O 3.15Å
506	G	68.7	Low	78.4	Confident	15 Å²	15	45.5 Å²	45.5	16%	0.155	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-8.2	173.5	0	0	0	0	0	115.5	P450 M504 I527	P450-G506 VanDerWaalsContact CD-O 3.23Å; P450-G506 WeakPolarHBondContact CD-O 3.38Å; P450-G506 WeakPolarHBondContact CG-O 3.28Å; M504-G506 PolarHBondContact O-N 2.76Å; G506-I527 WeakPolarHBondContact CA-O 3.42Å; G506-I527 PolarHBondContact N-O 2.76Å
507	L	76.9	Confident	77.6	Confident	24 Å²	24	42.1 Å²	42.1	13%	0.126	22%	0.224	C	C	.	.			trans	-69.4	146.5	180	-62.3	-179	0	0	0	112.5	F447 N449 I475 H505 R526 I527	F447-L507 HydrophobicContact CB-CD1 4.28Å; F447-L507 HydrophobicContact CG-CD1 4.46Å; N449-L507 HydrophobicContact CB-CD2 4.32Å; I475-L507 HydrophobicContact CD1-CD1 4.43Å; H505-L507 VanDerWaalsContact C-N 3.32Å; H505-L507 PolarHBondContact O-N 2.81Å; L507-R526 WeakPolarHBondContact O-CA 3.37Å; L507-I527 PolarHBondContact O-N 3.44Å
508	D	82.8	Confident	76.8	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.4	171.9	-77.5	0.7	0	0	0	108.6	E448 K524 K525 R526	E448-D508 PolarHBondContact N-O 2.88Å; E448-D508 PolarHBondContact O-N 2.79Å; D508-K524 HydrophobicContact CB-CD 4.25Å; D508-K524 WeakPolarHBondContact OD2-CD 3.41Å; D508-K524 VanDerWaalsContact OD2-CE 3.27Å; D508-K524 WeakPolarHBondContact OD2-CE 3.34Å; D508-K524 IonicContact OD2-NZ 3.82Å; D508-K524 PolarHBondContact OD2-NZ 3.24Å; D508-K525 CarbonylContact C-O 3.52Å; D508-R526 WeakPolarHBondContact OD1-CB 3.21Å; D508-R526 IonicContact OD1-CZ 3.01Å; D508-R526 IonicContact OD1-NE 4Å; D508-R526 PolarHBondContact OD1-NE 2.95Å; D508-R526 IonicContact OD1-NH2 3.5Å; D508-R526 PolarHBondContact OD1-NH2 3.03Å; D508-R526 VanDerWaalsContact OD1-NH2 3.14Å; D508-R526 IonicContact OD2-NH2 3.37Å
509	L	87.5	Confident	76.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.8	170	177.8	66.6	0	0	0	109.8	W411 F427 V429 W445 F447 I477 L495 K524 K525 I527	W411-L509 HydrophobicContact CZ3-CD2 4.08Å; F427-L509 HydrophobicContact CE2-CD2 3.86Å; F427-L509 HydrophobicContact CZ-CD2 4.14Å; V429-L509 HydrophobicContact CG2-CD2 4.09Å; W445-L509 HydrophobicContact CE3-CD1 4.28Å; W445-L509 HydrophobicContact CE3-CG 4.44Å; W445-L509 HydrophobicContact CZ3-CD2 4.26Å; W445-L509 HydrophobicContact CZ3-CG 4.32Å; F447-L509 HydrophobicContact CD1-CB 4.38Å; F447-L509 HydrophobicContact CD1-CD1 3.95Å; F447-L509 HydrophobicContact CE1-CD1 3.92Å; I477-L509 HydrophobicContact CD1-CD1 3.65Å; L495-L509 HydrophobicContact CD2-CD1 3.74Å; L495-L509 HydrophobicContact CD2-CD2 4.07Å; L495-L509 HydrophobicContact CD2-CG 4.45Å; L509-K524 CarbonylContact O-C 3.59Å; L509-K524 WeakPolarHBondContact O-CA 3.45Å; L509-K524 WeakPolarHBondContact O-CB 3.29Å; L509-K525 PolarHBondContact N-O 2.86Å; L509-K525 PolarHBondContact O-N 2.74Å; L509-I527 HydrophobicContact CB-CD1 4.38Å
510	V	88.4	Confident	76.5	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.7	-172.7	-174.5	0	0	0	0	111.6	W445 R446 E448 T522 T523 K524	W445-V510 WeakPolarHBondContact CA-O 3.32Å; R446-V510 HydrophobicContact CG-CB 3.91Å; R446-V510 HydrophobicContact CG-CG1 4.41Å; R446-V510 PolarHBondContact N-O 2.61Å; R446-V510 PolarHBondContact O-N 2.69Å; E448-V510 HydrophobicContact CB-CG2 4.02Å; E448-V510 HydrophobicContact CG-CG2 3.86Å; V510-T522 HydrophobicContact CG1-CG2 4.32Å; V510-T523 WeakPolarHBondContact CA-O 3.45Å; V510-K524 HydrophobicContact CG2-CB 3.88Å
511	C	91.3	Very high	76.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.6	159.2	177.4	0	0	0	0	109.1	I408 C431 W445 T522 T523	I408-C511 HydrophobicContact CD1-CB 4.11Å; I408-C511 HydrophobicContact CG1-CB 3.9Å; C431-C511 HydrophobicContact CB-CB 3.77Å; C431-C511 WeakPolarHBondContact CB-SG 3.47Å; C431-C511 WeakPolarHBondContact SG-CB 3.19Å; C431-C511 CovalentContact SG-SG 2.04Å; C431-C511 PolarHBondContact SG-SG 2.87Å; W445-C511 HydrophobicContact CD2-CB 4.35Å; W445-C511 HydrophobicContact CE3-CB 3.96Å; W445-C511 HydrophobicContact CH2-CB 4.29Å; W445-C511 HydrophobicContact CZ3-CB 3.92Å; C511-T522 CarbonylContact O-C 3.58Å; C511-T522 WeakPolarHBondContact O-CA 3.01Å; C511-T523 HydrophobicContact CB-CG2 3.91Å; C511-T523 PolarHBondContact N-O 3.27Å; C511-T523 PolarHBondContact O-N 2.89Å
512	A	89.6	Confident	77.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.1	179.1	0	0	0	0	0	111	V443 V444 E520 K521 T522	V443-A512 CarbonylContact C-O 3.58Å; V443-A512 WeakPolarHBondContact CA-O 3.32Å; V444-A512 PolarHBondContact N-O 3.35Å; V444-A512 PolarHBondContact O-N 2.93Å; A512-E520 HydrophobicContact CB-CG 4.01Å; A512-K521 CarbonylContact C-O 3.47Å; A512-K521 VanDerWaalsContact CA-O 3.29Å; A512-K521 WeakPolarHBondContact CA-O 3.27Å; A512-T522 HydrophobicContact CB-CG2 3.87Å
513	V	88.1	Confident	78.7	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.6	169.6	63.8	0	0	0	0	111.2	P403 P406 V433 Q442 V443 E520 K521	P403-V513 HydrophobicContact CB-CG2 4.32Å; P406-V513 HydrophobicContact CB-CG1 4.17Å; P406-V513 HydrophobicContact CG-CG1 4.02Å; V433-V513 HydrophobicContact CG1-CG1 4.49Å; V433-V513 HydrophobicContact CG1-CG2 4.4Å; V433-V513 HydrophobicContact CG2-CB 4.25Å; V433-V513 HydrophobicContact CG2-CG1 4.48Å; V433-V513 HydrophobicContact CG2-CG2 4.32Å; Q442-V513 CarbonylContact O-C 3.54Å; Q442-V513 WeakPolarHBondContact O-CA 3.19Å; V443-V513 HydrophobicContact CG2-CB 4.46Å; V443-V513 HydrophobicContact CG2-CG2 4.26Å; V513-E520 WeakPolarHBondContact O-CA 3.46Å; V513-K521 HydrophobicContact CG1-CB 3.84Å; V513-K521 HydrophobicContact CG1-CD 4.41Å; V513-K521 PolarHBondContact N-O 2.79Å; V513-K521 PolarHBondContact O-N 3.12Å
514	R	83.6	Confident	79.6	Confident	110 Å²	110	44.8 Å²	44.8	42%	0.415	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.8	-175.9	-64.1	175.6	170.8	-176	-8	111.1	G441 Q442 E520	G441-R514 CarbonylContact C-O 3.58Å; G441-R514 WeakPolarHBondContact CA-O 3.12Å; Q442-R514 HydrophobicContact CB-CB 4.37Å; Q442-R514 PolarHBondContact N-O 3.34Å; Q442-R514 PolarHBondContact O-N 2.61Å; R514-E520 HydrophobicContact CG-CG 4.05Å; R514-E520 IonicContact CZ-OE2 3.58Å; R514-E520 IonicContact NE-OE2 2.72Å; R514-E520 PolarHBondContact NE-OE2 3.43Å; R514-E520 IonicContact NH2-OE2 3.4Å; R514-E520 PolarHBondContact NH2-OE2 3.27Å
515	H	79.6	Confident	80.3	Confident	29 Å²	29	45.9 Å²	45.9	13%	0.134	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.3	176.3	-178.1	-117.9	0	0	0	110.7	L402 P403 P439 V517	L402-H515 WeakPolarHBondContact CD2-ND1 3.36Å; P403-H515 HydrophobicContact CG-CB 3.89Å; P439-H515 PolarHBondContact O-CD2 3.24Å; P439-H515 VanDerWaalsContact O-CD2 3.28Å; P439-H515 PolarHBondContact O-NE2 2.72Å; H515-V517 PolarHBondContact ND1-N 3.2Å; H515-V517 PolarHBondContact O-N 2.92Å
516	Q	72.6	Confident	80.6	Confident	153 Å²	153	49.6 Å²	49.6	72%	0.715	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.5	-174.5	-64.9	178.5	-4.2	0	0	114.2	P439	P439-Q516 HydrophobicContact CG-CG 4.49Å
517	V	67.8	Low	81.1	Confident	35 Å²	35	48.9 Å²	48.9	21%	0.212	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	26.6	-171	-148.3	0	0	0	0	112.3	I290 A292 H400 H515	I290-V517 HydrophobicContact CG2-CG1 4.1Å; I290-V517 HydrophobicContact CG2-CG2 3.96Å; A292-V517 HydrophobicContact CB-CB 4.38Å; A292-V517 HydrophobicContact CB-CG1 3.92Å; H400-V517 HydrophobicContact CB-CG2 3.98Å; H400-V517 VanDerWaalsContact ND1-CG2 3.34Å; H400-V517 WeakPolarHBondContact ND1-CG2 3.43Å; H515-V517 PolarHBondContact ND1-N 3.2Å; H515-V517 PolarHBondContact O-N 2.92Å
518	G	62.2	Low	80.9	Confident	28 Å²	28	48.6 Å²	48.6	29%	0.289	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	162.4	178.9	0	0	0	0	0	112.7
519	P	68.1	Low	80.5	Confident	105 Å²	105	48.4 Å²	48.4	68%	0.682	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65	154.5	179.1	28.8	-35.5	0	0	0	111.9	K521	P519-K521 PolarHBondContact O-N 3.04Å
520	E	77.3	Confident	79.8	Confident	72 Å²	72	50.5 Å²	50.5	34%	0.336	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	121.6	167.4	-173.3	-177.7	93.7	0	0	108.9	R446 A512 V513 R514 T522	R446-E520 IonicContact CZ-OE1 3.33Å; R446-E520 VanDerWaalsContact NH1-CD 3.31Å; R446-E520 IonicContact NH1-OE1 2.74Å; R446-E520 PolarHBondContact NH1-OE1 2.97Å; R446-E520 IonicContact NH1-OE2 3.47Å; R446-E520 PolarHBondContact NH1-OE2 3.13Å; R446-E520 IonicContact NH2-OE1 2.97Å; R446-E520 PolarHBondContact NH2-OE1 3.21Å; A512-E520 HydrophobicContact CB-CG 4.01Å; V513-E520 WeakPolarHBondContact O-CA 3.46Å; R514-E520 HydrophobicContact CG-CG 4.05Å; R514-E520 IonicContact CZ-OE2 3.58Å; R514-E520 IonicContact NE-OE2 2.72Å; R514-E520 PolarHBondContact NE-OE2 3.43Å; R514-E520 IonicContact NH2-OE2 3.4Å; R514-E520 PolarHBondContact NH2-OE2 3.27Å; E520-T522 HydrophobicContact CG-CG2 4.16Å
521	K	81	Confident	78.9	Confident	60 Å²	60	52.6 Å²	52.6	26%	0.261	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.5	174.7	-62.1	173.4	168.4	-167.9	0	108.7	P403 G404 D405 P406 A512 V513 P519	P403-K521 PolarHBondContact O-NZ 3.05Å; G404-K521 WeakPolarHBondContact O-CD 3.42Å; G404-K521 PolarHBondContact O-NZ 2.92Å; D405-K521 VanDerWaalsContact OD1-CD 3.29Å; D405-K521 WeakPolarHBondContact OD1-CD 3.47Å; D405-K521 WeakPolarHBondContact OD1-CE 3.33Å; D405-K521 IonicContact OD1-NZ 3.31Å; D405-K521 PolarHBondContact OD1-NZ 3.41Å; P406-K521 HydrophobicContact CG-CB 4.24Å; A512-K521 CarbonylContact C-O 3.47Å; A512-K521 VanDerWaalsContact CA-O 3.29Å; A512-K521 WeakPolarHBondContact CA-O 3.27Å; V513-K521 HydrophobicContact CG1-CB 3.84Å; V513-K521 HydrophobicContact CG1-CD 4.41Å; V513-K521 PolarHBondContact N-O 2.79Å; V513-K521 PolarHBondContact O-N 3.12Å; P519-K521 PolarHBondContact O-N 3.04Å
522	T	88.3	Confident	77.7	Confident	79 Å²	79	53.2 Å²	53.2	49%	0.485	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.5	-173	59.9	0	0	0	0	112.7	V510 C511 A512 E520	V510-T522 HydrophobicContact CG1-CG2 4.32Å; C511-T522 CarbonylContact O-C 3.58Å; C511-T522 WeakPolarHBondContact O-CA 3.01Å; A512-T522 HydrophobicContact CB-CG2 3.87Å; E520-T522 HydrophobicContact CG-CG2 4.16Å
523	T	86.8	Confident	76.9	Confident	39 Å²	39	54 Å²	54	24%	0.239	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.3	171	-175.2	0	0	0	0	109.8	P406 I408 V510 C511	P406-T523 HydrophobicContact CB-CG2 4.03Å; P406-T523 HydrophobicContact CG-CG2 4.09Å; P406-T523 VanDerWaalsContact O-CB 3.28Å; P406-T523 WeakPolarHBondContact O-CB 3.29Å; P406-T523 WeakPolarHBondContact O-CG2 3.07Å; I408-T523 HydrophobicContact CD1-CG2 3.95Å; I408-T523 HydrophobicContact CG1-CG2 3.78Å; V510-T523 WeakPolarHBondContact CA-O 3.45Å; C511-T523 HydrophobicContact CB-CG2 3.91Å; C511-T523 PolarHBondContact N-O 3.27Å; C511-T523 PolarHBondContact O-N 2.89Å
524	K	87.9	Confident	76	Confident	105 Å²	105	59.6 Å²	59.6	46%	0.457	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.3	-168.9	72.2	178	-171	162.5	0	116.2	D508 L509 V510	D508-K524 HydrophobicContact CB-CD 4.25Å; D508-K524 WeakPolarHBondContact OD2-CD 3.41Å; D508-K524 VanDerWaalsContact OD2-CE 3.27Å; D508-K524 WeakPolarHBondContact OD2-CE 3.34Å; D508-K524 IonicContact OD2-NZ 3.82Å; D508-K524 PolarHBondContact OD2-NZ 3.24Å; L509-K524 CarbonylContact O-C 3.59Å; L509-K524 WeakPolarHBondContact O-CA 3.45Å; L509-K524 WeakPolarHBondContact O-CB 3.29Å; V510-K524 HydrophobicContact CG2-CB 3.88Å
525	K	85.2	Confident	75.6	Confident	66 Å²	66	59.9 Å²	59.9	29%	0.287	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	134.8	-179.6	-66.1	-76.3	-167.4	153.4	0	110.4	I408 W411 D508 L509	I408-K525 HydrophobicContact CD1-CG 4.24Å; I408-K525 HydrophobicContact CG2-CG 4.44Å; W411-K525 VanDerWaalsContact CD1-NZ 3.3Å; W411-K525 HydrophobicContact CD2-CB 3.93Å; W411-K525 HydrophobicContact CD2-CD 3.77Å; W411-K525 HydrophobicContact CD2-CG 3.69Å; W411-K525 HydrophobicContact CE3-CB 3.77Å; W411-K525 HydrophobicContact CE3-CD 4.34Å; W411-K525 HydrophobicContact CE3-CG 3.73Å; W411-K525 HydrophobicContact CG-CD 3.91Å; W411-K525 HydrophobicContact CG-CG 4.24Å; W411-K525 HydrophobicContact CH2-CB 3.54Å; W411-K525 HydrophobicContact CH2-CG 4.39Å; W411-K525 HydrophobicContact CZ2-CB 3.67Å; W411-K525 HydrophobicContact CZ2-CD 4.45Å; W411-K525 HydrophobicContact CZ2-CG 4.33Å; W411-K525 HydrophobicContact CZ3-CB 3.59Å; W411-K525 HydrophobicContact CZ3-CG 4.11Å; D508-K525 CarbonylContact C-O 3.52Å; L509-K525 PolarHBondContact N-O 2.86Å; L509-K525 PolarHBondContact O-N 2.74Å
526	R	79.4	Confident	75.5	Confident	112 Å²	112	59 Å²	59	42%	0.423	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	144.6	-178.9	-173.2	164.4	-63.5	169.1	8	113	L507 D508	L507-R526 WeakPolarHBondContact O-CA 3.37Å; D508-R526 WeakPolarHBondContact OD1-CB 3.21Å; D508-R526 IonicContact OD1-CZ 3.01Å; D508-R526 IonicContact OD1-NE 4Å; D508-R526 PolarHBondContact OD1-NE 2.95Å; D508-R526 IonicContact OD1-NH2 3.5Å; D508-R526 PolarHBondContact OD1-NH2 3.03Å; D508-R526 VanDerWaalsContact OD1-NH2 3.14Å; D508-R526 IonicContact OD2-NH2 3.37Å
527	I	78.2	Confident	75.9	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.278	C	S	.	.			trans	-101.5	136.2	175.2	-62.9	171.5	0	0	0	109.9	W411 L421 F427 F447 L500 G506 L507 L509 I529	W411-I527 HydrophobicContact CH2-CG1 4.47Å; L421-I527 HydrophobicContact CD1-CG2 4.35Å; F427-I527 HydrophobicContact CE1-CD1 4.46Å; F427-I527 HydrophobicContact CZ-CD1 4Å; F447-I527 HydrophobicContact CD1-CD1 4.15Å; F447-I527 HydrophobicContact CE1-CD1 3.72Å; L500-I527 HydrophobicContact CD2-CG2 4.29Å; G506-I527 WeakPolarHBondContact CA-O 3.42Å; G506-I527 PolarHBondContact N-O 2.76Å; L507-I527 PolarHBondContact O-N 3.44Å; L509-I527 HydrophobicContact CB-CD1 4.38Å; I527-I529 HydrophobicContact CG2-CD1 3.93Å; I527-I529 HydrophobicContact CG2-CG1 3.96Å
528	L	74.2	Confident	76.6	Confident	17 Å²	17	52.4 Å²	52.4	9%	0.089	27%	0.269	C	S	.	.			trans	-134.3	138.8	178.7	-68.9	174.2	0	0	0	109.9	T419 S420 L421 F631	T419-L528 WeakPolarHBondContact O-CB 3.47Å; T419-L528 WeakPolarHBondContact O-CD1 3.35Å; S420-L528 WeakPolarHBondContact CA-O 3.15Å; L421-L528 PolarHBondContact N-O 3.35Å; L528-F631 HydrophobicContact CD1-CD2 4.48Å; L528-F631 HydrophobicContact CD1-CE2 3.94Å; L528-F631 HydrophobicContact CD2-CD2 3.94Å; L528-F631 HydrophobicContact CD2-CE2 4.24Å
529	I	74.2	Confident	77.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-145.5	144	-166.9	-53.8	179.3	0	0	0	110.8	L421 V423 L500 N501 M504 H505 I527	L421-I529 WeakPolarHBondContact O-CA 3.09Å; V423-I529 HydrophobicContact CB-CG2 4.43Å; V423-I529 HydrophobicContact CG2-CG2 3.44Å; V423-I529 VanDerWaalsContact CG2-CG2 3.44Å; L500-I529 HydrophobicContact CB-CD1 4.46Å; L500-I529 HydrophobicContact CD2-CD1 4.2Å; N501-I529 WeakPolarHBondContact O-CD1 3.18Å; M504-I529 HydrophobicContact CB-CD1 3.88Å; H505-I529 HydrophobicContact CB-CB 4.28Å; H505-I529 PolarHBondContact CE1-O 3.11Å; H505-I529 PolarHBondContact ND1-N 3.36Å; H505-I529 VanDerWaalsContact ND1-N 3.14Å; H505-I529 PolarHBondContact ND1-O 3.15Å; I527-I529 HydrophobicContact CG2-CD1 3.93Å; I527-I529 HydrophobicContact CG2-CG1 3.96Å
530	Q	72.1	Confident	77.4	Confident	45 Å²	45	48.9 Å²	48.9	21%	0.21	24%	0.241	C	C	.	.			trans	-101.1	132.7	-175.8	-56.4	-179.3	-2.1	0	0	113.4	S420 V423 Y594	S420-Q530 PolarHBondContact OG-NE2 2.93Å; V423-Q530 WeakPolarHBondContact CG2-O 3.44Å; Q530-Y594 HydrophobicContact CG-CE1 4.28Å; Q530-Y594 HydrophobicContact CG-CE2 4.03Å
531	H	69.9	Low	77	Confident	44 Å²	44	46.8 Å²	46.8	20%	0.204	23%	0.234	C	C	.	.			trans	-157.5	156.1	174.7	68.8	92.5	0	0	0	114.5	E592 Y594	H531-E592 PolarHBondContact CE1-O 3.37Å; H531-E592 VanDerWaalsContact CE1-O 3.31Å; H531-Y594 WeakPolarHBondContact O-CB 3.11Å; H531-Y594 PolarHBondContact O-N 3.12Å
532	G	66.2	Low	76.8	Confident	14 Å²	14	45.4 Å²	45.4	14%	0.144	23%	0.228	C	C	.	.			trans	-91.2	178.8	171.9	0	0	0	0	0	114.2
533	P	71.9	Confident	75.9	Confident	15 Å²	15	45.3 Å²	45.3	10%	0.097	22%	0.222	C	C	.	.			trans	-71.9	163.4	171	31	-32.8	0	0	0	110.8	D591 Y593 V597 P662 I673	P533-D591 WeakPolarHBondContact CA-OD1 3.41Å; P533-D591 WeakPolarHBondContact CB-OD1 3.33Å; P533-Y593 HydrophobicContact CB-CD1 3.99Å; P533-Y593 HydrophobicContact CB-CG 4.17Å; P533-Y593 VanDerWaalsContact CD-CB 3.47Å; P533-Y593 HydrophobicContact CG-CD1 4.27Å; P533-Y593 HydrophobicContact CG-CG 4.21Å; P533-Y593 VanDerWaalsContact N-CB 3.29Å; P533-V597 HydrophobicContact CG-CG2 4.03Å; P533-P662 HydrophobicContact CG-CB 4.46Å; P533-P662 HydrophobicContact CG-CG 3.79Å; P533-I673 HydrophobicContact CB-CD1 4.02Å; P533-I673 HydrophobicContact CG-CD1 3.8Å; P533-I673 WeakPolarHBondContact O-CD1 3.2Å
534	Q	70.6	Confident	75.2	Confident	122 Å²	122	51 Å²	51	57%	0.57	24%	0.239	S	C	*	.			trans	-126	-24.7	-179.9	-54.4	-178.3	11.1	0	0	112.8	D591	Q534-D591 WeakPolarHBondContact CA-OD2 3.2Å; Q534-D591 WeakPolarHBondContact CB-OD2 3.31Å; Q534-D591 PolarHBondContact N-OD1 2.87Å; Q534-D591 PolarHBondContact N-OD2 2.91Å; Q534-D591 VanDerWaalsContact N-OD2 3.12Å
535	H	73.9	Confident	74.2	Confident	116 Å²	116	48.5 Å²	48.5	54%	0.537	23%	0.229	S	C	.	.			trans	-138.2	156.8	-172	-51.2	90.1	0	0	0	113.8	D591	H535-D591 IonicContact CE1-OD2 2.66Å; H535-D591 IonicContact CG-OD2 3.99Å; H535-D591 VanDerWaalsContact N-CG 3.29Å; H535-D591 PolarHBondContact N-OD1 2.79Å; H535-D591 VanDerWaalsContact N-OD1 3.07Å; H535-D591 PolarHBondContact N-OD2 2.65Å; H535-D591 IonicContact ND1-OD2 3.14Å; H535-D591 PolarHBondContact ND1-OD2 2.91Å; H535-D591 PolarHBondContact O-N 3.39Å
536	V	77.9	Confident	73.3	Confident	10 Å²	10	50.8 Å²	50.8	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.4	171.5	175.2	0	0	0	0	107.8	C588 V589 T590 C658 A660 I673 N675	V536-C588 WeakPolarHBondContact CG1-SG 3.41Å; V536-V589 CarbonylContact C-O 3.59Å; V536-V589 WeakPolarHBondContact CA-O 3.16Å; V536-T590 HydrophobicContact CG2-CG2 4.49Å; V536-C658 HydrophobicContact CG1-CB 4.34Å; V536-A660 HydrophobicContact CG2-CB 3.38Å; V536-I673 HydrophobicContact CB-CG2 4.23Å; V536-I673 HydrophobicContact CG2-CB 3.99Å; V536-I673 HydrophobicContact CG2-CG2 3.71Å; V536-N675 VanDerWaalsContact O-CB 3.29Å; V536-N675 WeakPolarHBondContact O-CB 2.97Å; V536-N675 PolarHBondContact O-ND2 3.06Å
537	N	80.4	Confident	72.6	Confident	45 Å²	45	48.8 Å²	48.8	24%	0.241	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.7	-179.2	-162.1	7.5	0	0	0	111.9	Y555 C588 V589	N537-Y555 WeakPolarHBondContact CB-OH 3.1Å; N537-Y555 PolarHBondContact ND2-OH 2.89Å; N537-C588 CarbonylContact O-C 3.53Å; N537-C588 VanDerWaalsContact O-CA 3.26Å; N537-C588 WeakPolarHBondContact O-CA 3.12Å; N537-V589 PolarHBondContact N-O 2.89Å; N537-V589 PolarHBondContact O-N 2.92Å
538	I	82.9	Confident	71.9	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.7	172.2	-64.6	171.2	0	0	0	108	L586 L587 W601 C658 N675 V677	I538-L586 HydrophobicContact CG2-CD1 4.38Å; I538-L587 CarbonylContact C-O 3.6Å; I538-L587 VanDerWaalsContact CA-O 3.29Å; I538-L587 WeakPolarHBondContact CA-O 3.27Å; I538-W601 HydrophobicContact CD1-CZ3 4.15Å; I538-W601 HydrophobicContact CG1-CH2 4.44Å; I538-W601 HydrophobicContact CG1-CZ3 4.13Å; I538-W601 HydrophobicContact CG2-CH2 4.19Å; I538-W601 HydrophobicContact CG2-CZ3 4.19Å; I538-C658 HydrophobicContact CD1-CB 3.84Å; I538-C658 HydrophobicContact CG1-CB 3.79Å; I538-N675 HydrophobicContact CD1-CB 4.42Å; I538-N675 WeakPolarHBondContact CD1-O 3.33Å; I538-N675 HydrophobicContact CG1-CB 4.48Å; I538-V677 HydrophobicContact CB-CG1 3.99Å; I538-V677 HydrophobicContact CD1-CG1 4.08Å; I538-V677 HydrophobicContact CD1-CG2 4.33Å; I538-V677 HydrophobicContact CG2-CG1 3.94Å; I538-V677 HydrophobicContact CG2-CG2 4.24Å
539	Q	76.9	Confident	71.5	Confident	37 Å²	37	51.7 Å²	51.7	17%	0.173	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.7	173.5	-70.1	-162	-7.5	0	0	111.1	Y542 Y555 L587	Q539-Y542 HydrophobicContact CB-CE2 4.18Å; Q539-Y555 HydrophobicContact CG-CE2 4.11Å; Q539-L587 HydrophobicContact CB-CB 4.38Å; Q539-L587 HydrophobicContact CB-CD2 4.18Å; Q539-L587 PolarHBondContact N-O 2.85Å; Q539-L587 PolarHBondContact O-N 3.13Å
540	G	70.9	Confident	71	Confident	22 Å²	22	57.3 Å²	57.3	23%	0.227	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175	-176.3	175	0	0	0	0	0	113.4	Y542 L576	G540-Y542 VanDerWaalsContact CA-CE2 3.46Å; G540-L576 WeakPolarHBondContact O-CD1 3.49Å
541	P	69.5	Low	70.2	Confident	29 Å²	29	59.7 Å²	59.7	19%	0.188	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-91.3	156.5	-14.6	38.2	-30.2	0	0	0	110.7	L576 Y577 I578 Q584 Y585 L586	P541-L576 HydrophobicContact CB-CD2 4.38Å; P541-Y577 WeakPolarHBondContact CG-O 3.47Å; P541-I578 HydrophobicContact CB-CG2 3.45Å; P541-I578 VanDerWaalsContact CB-CG2 3.45Å; P541-I578 HydrophobicContact CG-CB 4.42Å; P541-I578 HydrophobicContact CG-CG2 3.48Å; P541-I578 VanDerWaalsContact CG-CG2 3.48Å; P541-Q584 HydrophobicContact CB-CB 4.32Å; P541-Y585 WeakPolarHBondContact CA-O 3.46Å; P541-L586 HydrophobicContact CB-CD2 3.95Å
542	Y	75.6	Confident	69.7	Low	31 Å²	31	57.9 Å²	57.9	12%	0.122	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.8	-180	-61.4	-86.8	0	0	0	110.9	Q539 G540 R544 E547 L548 K551 Q584 Y585	Q539-Y542 HydrophobicContact CB-CE2 4.18Å; G540-Y542 VanDerWaalsContact CA-CE2 3.46Å; Y542-R544 VanDerWaalsContact C-N 3.28Å; Y542-E547 HydrophobicContact CD1-CB 4.26Å; Y542-L548 HydrophobicContact CD2-CD1 4.23Å; Y542-L548 HydrophobicContact CD2-CD2 3.1Å; Y542-L548 HydrophobicContact CD2-CG 3.56Å; Y542-L548 HydrophobicContact CE2-CD2 3.29Å; Y542-L548 HydrophobicContact CE2-CG 4.23Å; Y542-L548 HydrophobicContact CG-CD2 3.87Å; Y542-L548 HydrophobicContact CG-CG 3.89Å; Y542-K551 HydrophobicContact CE1-CD 3.73Å; Y542-K551 WeakPolarHBondContact OH-CD 3.18Å; Y542-K551 WeakPolarHBondContact OH-CE 3.17Å; Y542-K551 PolarHBondContact OH-NZ 3.26Å; Y542-Q584 WeakPolarHBondContact O-CA 3.37Å; Y542-Y585 PolarHBondContact N-O 2.81Å; Y542-Y585 WeakPolarHBondContact O-CD2 3.45Å; Y542-Y585 PolarHBondContact O-N 2.78Å
543	E	68.8	Low	69	Low	77 Å²	77	62.3 Å²	62.3	36%	0.36	30%	0.303	S	S	.	.	S	Bend	trans	-72.6	-24	174.2	-61.8	-172.8	174.8	0	0	111.9	R582	E543-R582 WeakPolarHBondContact OE1-CD 3.49Å; E543-R582 IonicContact OE1-CZ 2.71Å; E543-R582 IonicContact OE1-NE 3.69Å; E543-R582 IonicContact OE1-NH1 2.72Å; E543-R582 PolarHBondContact OE1-NH1 2.75Å
544	R	72.6	Confident	68	Low	158 Å²	158	63.9 Å²	63.9	60%	0.596	31%	0.312	S	S	*	.			trans	-130.2	126.4	-176	-49.7	-172.2	-177.2	-178.4	-1.4	112.8	Y542 I546 E547	Y542-R544 VanDerWaalsContact C-N 3.28Å; R544-I546 PolarHBondContact O-N 3.03Å; R544-E547 HydrophobicContact CB-CG 4.2Å; R544-E547 VanDerWaalsContact CD-OE1 3.24Å; R544-E547 WeakPolarHBondContact CD-OE1 2.99Å; R544-E547 WeakPolarHBondContact CG-OE1 3.39Å; R544-E547 IonicContact NE-OE1 2.81Å; R544-E547 WeakPolarHBondContact O-CB 3.19Å; R544-E547 PolarHBondContact O-N 2.95Å; R544-E547 VanDerWaalsContact O-N 3.08Å
545	M	68.1	Low	67	Low	52 Å²	52	59.3 Å²	59.3	26%	0.256	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-20.7	172.8	-164.2	-171.2	-63.4	0	0	113.6	L548 K549 Y585 V617	M545-L548 WeakPolarHBondContact O-CB 3.48Å; M545-K549 PolarHBondContact O-N 3.1Å; M545-Y585 HydrophobicContact CB-CD2 4.4Å; M545-Y585 HydrophobicContact CB-CE2 4.32Å; M545-Y585 HydrophobicContact CE-CD1 4.15Å; M545-Y585 HydrophobicContact CE-CE1 3.58Å; M545-V617 HydrophobicContact CE-CG1 3.89Å
546	I	66.3	Low	65.6	Low	115 Å²	115	56.9 Å²	56.9	59%	0.59	28%	0.281	S	S	*	.	H	α-helix	trans	-70.3	-42.8	175.8	-61.8	174.4	0	0	0	111.3	R544 L548 K549 Q550	R544-I546 PolarHBondContact O-N 3.03Å; I546-L548 PolarHBondContact O-N 2.95Å; I546-K549 PolarHBondContact O-N 2.65Å; I546-Q550 WeakPolarHBondContact O-CG 3.37Å; I546-Q550 PolarHBondContact O-N 2.81Å
547	E	63	Low	63.8	Low	69 Å²	69	57.3 Å²	57.3	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-36.5	177.3	-68.2	152.5	-161.1	0	0	110.6	Y542 R544 Q550 K551	Y542-E547 HydrophobicContact CD1-CB 4.26Å; R544-E547 HydrophobicContact CB-CG 4.2Å; R544-E547 VanDerWaalsContact CD-OE1 3.24Å; R544-E547 WeakPolarHBondContact CD-OE1 2.99Å; R544-E547 WeakPolarHBondContact CG-OE1 3.39Å; R544-E547 IonicContact NE-OE1 2.81Å; R544-E547 WeakPolarHBondContact O-CB 3.19Å; R544-E547 PolarHBondContact O-N 2.95Å; R544-E547 VanDerWaalsContact O-N 3.08Å; E547-Q550 PolarHBondContact O-N 2.87Å; E547-K551 PolarHBondContact O-N 3.32Å
548	L	64.7	Low	61.7	Low	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-51.8	172.2	-83.6	-178.5	0	0	0	113.2	Y542 M545 I546 Q550 K551 V552 Y585 L587 I638	Y542-L548 HydrophobicContact CD2-CD1 4.23Å; Y542-L548 HydrophobicContact CD2-CD2 3.1Å; Y542-L548 HydrophobicContact CD2-CG 3.56Å; Y542-L548 HydrophobicContact CE2-CD2 3.29Å; Y542-L548 HydrophobicContact CE2-CG 4.23Å; Y542-L548 HydrophobicContact CG-CD2 3.87Å; Y542-L548 HydrophobicContact CG-CG 3.89Å; M545-L548 WeakPolarHBondContact O-CB 3.48Å; I546-L548 PolarHBondContact O-N 2.95Å; L548-Q550 VanDerWaalsContact C-N 3.26Å; L548-Q550 PolarHBondContact O-N 3.32Å; L548-K551 PolarHBondContact O-N 3.15Å; L548-K551 VanDerWaalsContact O-N 3.09Å; L548-V552 WeakPolarHBondContact O-CG2 3.03Å; L548-V552 PolarHBondContact O-N 3.13Å; L548-Y585 VanDerWaalsContact CD1-CB 3.48Å; L548-L587 HydrophobicContact CD1-CB 4.23Å; L548-L587 HydrophobicContact CD2-CB 3.35Å; L548-L587 HydrophobicContact CD2-CD2 3.77Å; L548-L587 HydrophobicContact CD2-CG 4.17Å; L548-L587 HydrophobicContact CG-CB 4.36Å; L548-I638 HydrophobicContact CB-CD1 4.41Å; L548-I638 HydrophobicContact CD1-CG2 4.06Å
549	K	65.9	Low	59.6	Low	80 Å²	80	64.7 Å²	64.7	35%	0.348	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-31.6	179.7	-64.7	-168.7	-173.4	-161.2	0	112.4	M545 I546 T553 E618 I638	M545-K549 PolarHBondContact O-N 3.1Å; I546-K549 PolarHBondContact O-N 2.65Å; K549-T553 PolarHBondContact O-N 3.08Å; K549-T553 PolarHBondContact O-OG1 3.33Å; K549-E618 WeakPolarHBondContact CE-OE2 3.28Å; K549-E618 IonicContact NZ-OE1 3.2Å; K549-E618 PolarHBondContact NZ-OE1 3.41Å; K549-E618 IonicContact NZ-OE2 3.89Å; K549-E618 PolarHBondContact NZ-OE2 3.14Å; K549-I638 HydrophobicContact CG-CD1 4.46Å
550	Q	62.8	Low	57.7	Low	117 Å²	117	69.7 Å²	69.7	55%	0.547	34%	0.335	S	S	.	.	H	α-helix	trans	-67.1	-41.3	170.9	-71.9	173.6	-11.7	0	0	111.8	I546 E547 L548 T553 V554	I546-Q550 WeakPolarHBondContact O-CG 3.37Å; I546-Q550 PolarHBondContact O-N 2.81Å; E547-Q550 PolarHBondContact O-N 2.87Å; L548-Q550 VanDerWaalsContact C-N 3.26Å; L548-Q550 PolarHBondContact O-N 3.32Å; Q550-T553 PolarHBondContact O-N 2.79Å; Q550-T553 PolarHBondContact O-OG1 3.31Å; Q550-T553 VanDerWaalsContact O-OG1 3.04Å; Q550-V554 WeakPolarHBondContact O-CB 3.38Å; Q550-V554 VanDerWaalsContact O-CG2 3.3Å; Q550-V554 WeakPolarHBondContact O-CG2 3.44Å; Q550-V554 PolarHBondContact O-N 3.11Å
551	K	56.4	Low	55.8	Low	96 Å²	96	71.6 Å²	71.6	42%	0.417	34%	0.342	S	S	.	.	H	α-helix	trans	-66.9	-36.9	174.2	-79	-168	177	-165.7	0	113.5	Y542 E547 L548 T553 V554 Y555	Y542-K551 HydrophobicContact CE1-CD 3.73Å; Y542-K551 WeakPolarHBondContact OH-CD 3.18Å; Y542-K551 WeakPolarHBondContact OH-CE 3.17Å; Y542-K551 PolarHBondContact OH-NZ 3.26Å; E547-K551 PolarHBondContact O-N 3.32Å; L548-K551 PolarHBondContact O-N 3.15Å; L548-K551 VanDerWaalsContact O-N 3.09Å; K551-T553 PolarHBondContact O-N 2.71Å; K551-V554 CarbonylContact O-C 3.59Å; K551-V554 WeakPolarHBondContact O-CA 3.24Å; K551-V554 PolarHBondContact O-N 2.66Å; K551-Y555 PolarHBondContact O-N 2.7Å
552	V	58.4	Low	53.8	Low	6 Å²	6	76.9 Å²	76.9	4%	0.036	37%	0.369	C	S	.	.	H	α-helix	trans	-62.8	-41.8	175	-178.3	0	0	0	0	111.9	L548 V554 Y555 L587 F620 C622 A636	L548-V552 WeakPolarHBondContact O-CG2 3.03Å; L548-V552 PolarHBondContact O-N 3.13Å; V552-V554 PolarHBondContact O-N 3.23Å; V552-Y555 WeakPolarHBondContact O-CB 3.24Å; V552-Y555 PolarHBondContact O-N 3.34Å; V552-L587 HydrophobicContact CG2-CD1 3.44Å; V552-L587 VanDerWaalsContact CG2-CD1 3.44Å; V552-L587 HydrophobicContact CG2-CD2 3.41Å; V552-L587 VanDerWaalsContact CG2-CD2 3.41Å; V552-L587 HydrophobicContact CG2-CG 4.08Å; V552-F620 HydrophobicContact CB-CE2 4.38Å; V552-F620 HydrophobicContact CB-CZ 4.42Å; V552-F620 HydrophobicContact CG1-CE2 3.73Å; V552-F620 HydrophobicContact CG1-CZ 4.16Å; V552-F620 HydrophobicContact CG2-CZ 4.17Å; V552-C622 WeakPolarHBondContact CG1-SG 3.45Å; V552-A636 HydrophobicContact CG1-CB 4.12Å; V552-A636 HydrophobicContact CG2-CB 4.48Å
553	T	52.8	Low	51.6	Low	106 Å²	106	82.8 Å²	82.8	65%	0.65	40%	0.402	S	S	*	.	H	α-helix	trans	-71.5	-9.1	175.6	43.9	0	0	0	0	113.9	K549 Q550 K551	K549-T553 PolarHBondContact O-N 3.08Å; K549-T553 PolarHBondContact O-OG1 3.33Å; Q550-T553 PolarHBondContact O-N 2.79Å; Q550-T553 PolarHBondContact O-OG1 3.31Å; Q550-T553 VanDerWaalsContact O-OG1 3.04Å; K551-T553 PolarHBondContact O-N 2.71Å
554	V	50.8	Low	49.6	Very low	48 Å²	48	85 Å²	85	29%	0.291	41%	0.411	S	S	.	.	H	α-helix	trans	-105.3	-14	173.3	171.9	0	0	0	0	112.5	Q550 K551 V552 N556 K557 L558	Q550-V554 WeakPolarHBondContact O-CB 3.38Å; Q550-V554 VanDerWaalsContact O-CG2 3.3Å; Q550-V554 WeakPolarHBondContact O-CG2 3.44Å; Q550-V554 PolarHBondContact O-N 3.11Å; K551-V554 CarbonylContact O-C 3.59Å; K551-V554 WeakPolarHBondContact O-CA 3.24Å; K551-V554 PolarHBondContact O-N 2.66Å; V552-V554 PolarHBondContact O-N 3.23Å; V554-N556 VanDerWaalsContact C-N 3.29Å; V554-N556 PolarHBondContact O-N 2.77Å; V554-K557 WeakPolarHBondContact O-CB 3.4Å; V554-K557 PolarHBondContact O-N 3.07Å; V554-L558 HydrophobicContact CG1-CD1 3.76Å; V554-L558 PolarHBondContact O-N 3.05Å
555	Y	49	Very low	47.4	Very low	26 Å²	26	82 Å²	82	10%	0.102	41%	0.414	C	S	.	.	H	α-helix	trans	-58.2	-39.7	-178.2	-148	-59.3	0	0	0	112.1	N537 Q539 K551 V552 K557 E559 V589	N537-Y555 WeakPolarHBondContact CB-OH 3.1Å; N537-Y555 PolarHBondContact ND2-OH 2.89Å; Q539-Y555 HydrophobicContact CG-CE2 4.11Å; K551-Y555 PolarHBondContact O-N 2.7Å; V552-Y555 WeakPolarHBondContact O-CB 3.24Å; V552-Y555 PolarHBondContact O-N 3.34Å; Y555-K557 PolarHBondContact O-N 3.45Å; Y555-E559 VanDerWaalsContact CE1-CD 3.46Å; Y555-E559 HydrophobicContact CE1-CG 4.33Å; Y555-E559 WeakPolarHBondContact CE1-OE1 3.16Å; Y555-E559 WeakPolarHBondContact CE1-OE2 3.25Å; Y555-E559 VanDerWaalsContact CZ-OE1 3.31Å; Y555-E559 PolarHBondContact OH-OE1 2.96Å; Y555-V589 HydrophobicContact CD1-CG1 4.29Å; Y555-V589 HydrophobicContact CD2-CB 3.99Å; Y555-V589 HydrophobicContact CD2-CG1 3.91Å; Y555-V589 HydrophobicContact CD2-CG2 3.71Å; Y555-V589 HydrophobicContact CE1-CG1 4.5Å; Y555-V589 HydrophobicContact CE2-CB 3.74Å; Y555-V589 HydrophobicContact CE2-CG1 4.06Å; Y555-V589 HydrophobicContact CE2-CG2 3.7Å; Y555-V589 HydrophobicContact CG-CG1 4.06Å
556	N	45.1	Very low	45.4	Very low	65 Å²	65	85.8 Å²	85.8	35%	0.348	44%	0.441	S	S	.	.	H	α-helix	trans	-60.4	4.8	172.2	-93.9	-47.1	0	0	0	115.2	V554 I634	V554-N556 VanDerWaalsContact C-N 3.29Å; V554-N556 PolarHBondContact O-N 2.77Å; N556-I634 WeakPolarHBondContact OD1-CD1 3.15Å
557	K	39.8	Very low	43.5	Very low	19 Å²	19	86.4 Å²	86.4	8%	0.083	45%	0.449	C	S	.	.	H	α-helix	trans	-119.4	-59.8	173.5	-65.1	-158.6	-155.5	76.3	0	113.6	F462 G463 L466 V554 Y555 E559 R560	F462-K557 WeakPolarHBondContact O-CE 3.18Å; G463-K557 WeakPolarHBondContact O-CE 3.35Å; G463-K557 PolarHBondContact O-NZ 2.98Å; L466-K557 HydrophobicContact CD1-CB 3.63Å; L466-K557 HydrophobicContact CD1-CD 4.11Å; L466-K557 HydrophobicContact CD1-CG 4.06Å; L466-K557 HydrophobicContact CD2-CB 4.49Å; L466-K557 HydrophobicContact CG-CB 3.92Å; L466-K557 HydrophobicContact CG-CD 4.37Å; V554-K557 WeakPolarHBondContact O-CB 3.4Å; V554-K557 PolarHBondContact O-N 3.07Å; Y555-K557 PolarHBondContact O-N 3.45Å; K557-E559 VanDerWaalsContact C-N 3.31Å; K557-E559 PolarHBondContact O-N 3.39Å; K557-E559 VanDerWaalsContact O-N 3.1Å; K557-R560 PolarHBondContact O-N 2.86Å
558	L	34.9	Very low	41.8	Very low	89 Å²	89	88 Å²	88	47%	0.466	46%	0.464	S	S	.	.	H	α-helix	trans	-70.6	-14.6	-149.8	-116.1	76.4	0	0	0	116.6	V554 T561	V554-L558 HydrophobicContact CG1-CD1 3.76Å; V554-L558 PolarHBondContact O-N 3.05Å; L558-T561 PolarHBondContact O-OG1 3.26Å
559	E	39	Very low	39.9	Very low	117 Å²	117	94.7 Å²	94.7	55%	0.547	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	2.3	-177.3	-70.7	-176.6	175.6	0	0	114.8	Y555 K557 T561	Y555-E559 VanDerWaalsContact CE1-CD 3.46Å; Y555-E559 HydrophobicContact CE1-CG 4.33Å; Y555-E559 WeakPolarHBondContact CE1-OE1 3.16Å; Y555-E559 WeakPolarHBondContact CE1-OE2 3.25Å; Y555-E559 VanDerWaalsContact CZ-OE1 3.31Å; Y555-E559 PolarHBondContact OH-OE1 2.96Å; K557-E559 VanDerWaalsContact C-N 3.31Å; K557-E559 PolarHBondContact O-N 3.39Å; K557-E559 VanDerWaalsContact O-N 3.1Å; E559-T561 VanDerWaalsContact C-N 3.3Å; E559-T561 PolarHBondContact O-N 3.41Å
560	R	37.2	Very low	38.1	Very low	141 Å²	141	96 Å²	96	53%	0.532	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	7.7	177.1	-85.8	-174.3	169.4	107.9	5.2	115.3	K557 E592	K557-R560 PolarHBondContact O-N 2.86Å; R560-E592 IonicContact CZ-OE1 2.85Å; R560-E592 VanDerWaalsContact CZ-OE1 3.27Å; R560-E592 IonicContact NH1-OE1 2.68Å; R560-E592 PolarHBondContact NH1-OE1 3.29Å; R560-E592 IonicContact NH2-OE1 3.89Å; R560-E592 PolarHBondContact NH2-OE1 3.34Å; R560-E592 IonicContact NH2-OE2 2.63Å
561	T	30.7	Very low	36.6	Very low	63 Å²	63	97.5 Å²	97.5	39%	0.387	53%	0.53	S	S	.	.	S	Bend	trans	-106.6	-34.2	-177.7	37.5	0	0	0	0	115.8	L466 K467 L558 E559 N563	L466-T561 HydrophobicContact CD2-CG2 4.26Å; K467-T561 WeakPolarHBondContact O-CG2 3.48Å; L558-T561 PolarHBondContact O-OG1 3.26Å; E559-T561 VanDerWaalsContact C-N 3.3Å; E559-T561 PolarHBondContact O-N 3.41Å; T561-N563 PolarHBondContact O-N 2.62Å; T561-N563 VanDerWaalsContact O-N 3.14Å
562	D	28.3	Very low	35.5	Very low	140 Å²	140	99.6 Å²	99.6	75%	0.749	55%	0.545	S	S	*	.			trans	-94.2	53.3	-169.7	-71.3	-60.4	0	0	0	114.6	K564	D562-K564 PolarHBondContact O-N 3.23Å
563	N	29.3	Very low	35.2	Very low	154 Å²	154	102.4 Å²	102.4	82%	0.824	56%	0.557	S	S	*	*			trans	-82.5	53.5	-176.4	-150.1	-1.2	0	0	0	113.9	T561	T561-N563 PolarHBondContact O-N 2.62Å; T561-N563 VanDerWaalsContact O-N 3.14Å
564	K	26.9	Very low	35.7	Very low	123 Å²	123	102 Å²	102	54%	0.535	55%	0.548	S	S	.	.			trans	-158.5	96.2	142.4	-68.4	-174.5	-145.1	134.7	0	110.1	D562 F1670	D562-K564 PolarHBondContact O-N 3.23Å; K564-F1670 HydrophobicContact CB-CE1 3.73Å; K564-F1670 HydrophobicContact CB-CZ 3.57Å; K564-F1670 HydrophobicContact CD-CE1 3.74Å; K564-F1670 HydrophobicContact CD-CE2 4.23Å; K564-F1670 HydrophobicContact CD-CZ 3.45Å; K564-F1670 VanDerWaalsContact CD-CZ 3.45Å; K564-F1670 VanDerWaalsContact CE-CZ 3.45Å; K564-F1670 HydrophobicContact CG-CE1 4.04Å; K564-F1670 HydrophobicContact CG-CE2 4.43Å; K564-F1670 HydrophobicContact CG-CZ 3.5Å; K564-F1670 VanDerWaalsContact CG-CZ 3.5Å; K564-F1670 VanDerWaalsContact NZ-CE2 3.25Å; K564-F1670 VanDerWaalsContact NZ-CZ 3.27Å
565	S	27.1	Very low	36.6	Very low	95 Å²	95	105.2 Å²	105.2	66%	0.664	56%	0.558	S	S	*	*			trans	-139.4	118.7	133.6	61	0	0	0	0	108.7	V567	S565-V567 VanDerWaalsContact C-N 3.27Å; S565-V567 PolarHBondContact O-N 3.29Å
566	T	24.9	Very low	37.9	Very low	133 Å²	133	104.8 Å²	104.8	82%	0.816	56%	0.557	S	S	*	*			trans	-75.7	82.6	175.9	44.8	0	0	0	0	108.6	T568	T566-T568 PolarHBondContact O-N 2.87Å
567	V	26.7	Very low	39.5	Very low	127 Å²	127	103.4 Å²	103.4	77%	0.77	55%	0.547	S	S	*	.			trans	-75.9	74.8	173.1	-172.3	0	0	0	0	109.3	S565 T569	S565-V567 VanDerWaalsContact C-N 3.27Å; S565-V567 PolarHBondContact O-N 3.29Å; V567-T569 PolarHBondContact O-N 2.81Å; V567-T569 VanDerWaalsContact O-N 3.13Å
568	T	27	Very low	41.1	Very low	103 Å²	103	102.5 Å²	102.5	63%	0.632	54%	0.543	S	S	*	.			trans	-59.5	109	161	44.4	0	0	0	0	109.3	T566 V570	T566-T568 PolarHBondContact O-N 2.87Å; T568-V570 PolarHBondContact O-N 3.17Å
569	T	24.5	Very low	43	Very low	140 Å²	140	99.8 Å²	99.8	86%	0.859	53%	0.527	S	S	*	.	S	Bend	trans	17.5	71.8	144	56.5	0	0	0	0	116.8	V567	V567-T569 PolarHBondContact O-N 2.81Å; V567-T569 VanDerWaalsContact O-N 3.13Å
570	V	28.5	Very low	44.4	Very low	107 Å²	107	98 Å²	98	65%	0.648	52%	0.521	S	S	*	.			trans	-134.1	129.5	164.1	178.4	0	0	0	0	108.3	T568 N572	T568-V570 PolarHBondContact O-N 3.17Å; V570-N572 VanDerWaalsContact C-N 3.28Å; V570-N572 PolarHBondContact O-N 2.75Å
571	I	30.8	Very low	45.8	Very low	150 Å²	150	96.8 Å²	96.8	77%	0.769	53%	0.525	S	S	*	.			trans	-84	70.9	-172.7	-51	169.3	0	0	0	109.7
572	N	34.7	Very low	47.7	Very low	139 Å²	139	96.9 Å²	96.9	74%	0.743	52%	0.519	S	S	*	.			trans	-99.1	99.1	167.7	-81.2	-9.9	0	0	0	108.7	V570 Q574	V570-N572 VanDerWaalsContact C-N 3.28Å; V570-N572 PolarHBondContact O-N 2.75Å; N572-Q574 PolarHBondContact O-N 2.75Å
573	K	50.4	Low	49.8	Very low	65 Å²	65	92.1 Å²	92.1	28%	0.283	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-55.5	121.9	176.9	-58.1	-177.8	-174.2	179.7	0	109	K575 E655 Q676 N678	K573-K575 PolarHBondContact O-N 2.78Å; K573-E655 IonicContact NZ-OE1 2.81Å; K573-E655 PolarHBondContact NZ-OE1 3.4Å; K573-E655 IonicContact NZ-OE2 2.74Å; K573-E655 PolarHBondContact NZ-OE2 3.22Å; K573-Q676 WeakPolarHBondContact CA-O 3.2Å; K573-Q676 HydrophobicContact CG-CB 4.36Å; K573-N678 VanDerWaalsContact CB-OD1 3.25Å; K573-N678 WeakPolarHBondContact CB-OD1 3.42Å; K573-N678 WeakPolarHBondContact CD-OD1 3.2Å
574	Q	63.1	Low	52.1	Low	99 Å²	99	84.9 Å²	84.9	46%	0.463	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.5	-174.7	-85.9	178.6	-26.8	0	0	109.8	N572 Q676 V677 N678	N572-Q574 PolarHBondContact O-N 2.75Å; Q574-Q676 PolarHBondContact N-O 2.04Å; Q574-V677 HydrophobicContact CB-CG1 4.1Å; Q574-V677 CarbonylContact O-C 3.47Å; Q574-V677 WeakPolarHBondContact O-CA 3.09Å; Q574-V677 WeakPolarHBondContact O-CB 3.36Å; Q574-N678 PolarHBondContact O-N 2.87Å
575	K	70.7	Confident	54.9	Low	115 Å²	115	80.7 Å²	80.7	50%	0.5	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.5	172.8	-71	-173.2	169.2	-141.7	0	110	K573 Y577 E680	K573-K575 PolarHBondContact O-N 2.78Å; K575-Y577 HydrophobicContact CB-CE1 4.44Å; K575-Y577 HydrophobicContact CB-CE2 4.47Å; K575-Y577 WeakPolarHBondContact CD-OH 3.17Å; K575-E680 WeakPolarHBondContact CD-OE1 3.31Å; K575-E680 WeakPolarHBondContact CE-OE1 3.39Å; K575-E680 IonicContact NZ-OE1 3.53Å; K575-E680 PolarHBondContact NZ-OE1 2.81Å; K575-E680 IonicContact NZ-OE2 3.26Å; K575-E680 PolarHBondContact NZ-OE2 3.05Å
576	L	76.3	Confident	57.7	Low	17 Å²	17	76.1 Å²	76.1	9%	0.089	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.5	-175.4	-156.4	87.8	0	0	0	109.6	G540 P541 L586 V677 N678 L679 E680	G540-L576 WeakPolarHBondContact O-CD1 3.49Å; P541-L576 HydrophobicContact CB-CD2 4.38Å; L576-L586 HydrophobicContact CD2-CD1 4.15Å; L576-L586 HydrophobicContact CD2-CD2 3.34Å; L576-L586 HydrophobicContact CD2-CG 4.43Å; L576-V677 HydrophobicContact CB-CB 4.44Å; L576-N678 WeakPolarHBondContact CB-O 3.34Å; L576-N678 PolarHBondContact N-O 3.11Å; L576-L679 HydrophobicContact CB-CD2 4.14Å; L576-L679 HydrophobicContact CD2-CD2 3.99Å; L576-E680 PolarHBondContact O-N 2.87Å
577	Y	77.5	Confident	60.5	Low	35 Å²	35	69.8 Å²	69.8	14%	0.137	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.9	-171.6	-59	-62.5	0	0	0	111.4	P541 K575 E680 Y682 P716 S1724	P541-Y577 WeakPolarHBondContact CG-O 3.47Å; K575-Y577 HydrophobicContact CB-CE1 4.44Å; K575-Y577 HydrophobicContact CB-CE2 4.47Å; K575-Y577 WeakPolarHBondContact CD-OH 3.17Å; Y577-E680 CarbonylContact C-O 3.44Å; Y577-E680 VanDerWaalsContact CA-O 3.28Å; Y577-E680 WeakPolarHBondContact CA-O 3.23Å; Y577-E680 HydrophobicContact CD1-CB 3.49Å; Y577-E680 VanDerWaalsContact CD1-CB 3.49Å; Y577-E680 HydrophobicContact CE1-CB 3.51Å; Y577-E680 HydrophobicContact CE1-CG 4.4Å; Y577-E680 WeakPolarHBondContact CE1-OE2 3.33Å; Y577-Y682 WeakPolarHBondContact O-CE2 3.1Å; Y577-Y682 PolarHBondContact O-OH 2.83Å; Y577-P716 HydrophobicContact CE1-CG 4.28Å; Y577-P716 HydrophobicContact CE2-CG 4.46Å; Y577-P716 WeakPolarHBondContact OH-CG 3.21Å; Y577-S1724 WeakPolarHBondContact CB-O 3.35Å; Y577-S1724 WeakPolarHBondContact CD1-O 3.4Å; Y577-S1724 VanDerWaalsContact CD2-O 3.26Å; Y577-S1724 WeakPolarHBondContact CD2-O 3.07Å
578	I	75.1	Confident	63.4	Low	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.33	C	S	.	.			trans	-121.8	140.3	-173.3	42.9	162.7	0	0	0	113.3	P541 Q584 L641 L651 L679 E680 M681 Y682	P541-I578 HydrophobicContact CB-CG2 3.45Å; P541-I578 VanDerWaalsContact CB-CG2 3.45Å; P541-I578 HydrophobicContact CG-CB 4.42Å; P541-I578 HydrophobicContact CG-CG2 3.48Å; P541-I578 VanDerWaalsContact CG-CG2 3.48Å; I578-Q584 HydrophobicContact CB-CG 4.13Å; I578-Q584 HydrophobicContact CG2-CB 4.14Å; I578-Q584 HydrophobicContact CG2-CG 4.05Å; I578-L641 HydrophobicContact CD1-CD1 4.45Å; I578-L641 HydrophobicContact CG2-CD1 3.87Å; I578-L651 HydrophobicContact CD1-CD1 3.39Å; I578-L651 HydrophobicContact CD1-CD2 3.65Å; I578-L651 HydrophobicContact CD1-CG 4.14Å; I578-L679 HydrophobicContact CD1-CB 4.3Å; I578-E680 WeakPolarHBondContact CG1-O 3.18Å; I578-E680 PolarHBondContact N-O 2.96Å; I578-M681 HydrophobicContact CD1-CG 4.32Å; I578-M681 HydrophobicContact CG1-CG 3.86Å; I578-M681 CarbonylContact O-C 3.58Å; I578-M681 WeakPolarHBondContact O-CA 3.26Å; I578-M681 VanDerWaalsContact O-CB 3.26Å; I578-M681 WeakPolarHBondContact O-CB 3.45Å; I578-M681 VanDerWaalsContact O-CG 3.25Å; I578-M681 WeakPolarHBondContact O-CG 3.46Å; I578-Y682 VanDerWaalsContact C-CD2 3.49Å
579	Y	73.9	Confident	66.1	Low	33 Å²	33	59 Å²	59	13%	0.129	30%	0.301	C	S	.	.			trans	-80	133	173.4	-67.2	-81.9	0	0	0	111.7	D581 R582 Y682 G779	Y579-D581 WeakPolarHBondContact CB-OD1 3.5Å; Y579-R582 VanDerWaalsContact CD1-NH2 3.25Å; Y579-Y682 AromaticContact CD1-CD2 3.41Å; Y579-Y682 HydrophobicContact CD1-CD2 3.41Å; Y579-Y682 VanDerWaalsContact CD1-CD2 3.41Å; Y579-Y682 HydrophobicContact CD1-CE2 4.18Å; Y579-Y682 AromaticContact CD1-CG 3.72Å; Y579-Y682 HydrophobicContact CD1-CG 3.72Å; Y579-Y682 AromaticContact CD2-CD2 3.51Å; Y579-Y682 HydrophobicContact CD2-CD2 3.51Å; Y579-Y682 AromaticContact CD2-CE2 3.41Å; Y579-Y682 HydrophobicContact CD2-CE2 3.41Å; Y579-Y682 VanDerWaalsContact CD2-CE2 3.41Å; Y579-Y682 HydrophobicContact CD2-CG 4.42Å; Y579-Y682 VanDerWaalsContact CE1-CB 3.41Å; Y579-Y682 AromaticContact CE1-CD1 3.94Å; Y579-Y682 HydrophobicContact CE1-CD1 3.94Å; Y579-Y682 AromaticContact CE1-CD2 3.4Å; Y579-Y682 HydrophobicContact CE1-CD2 3.4Å; Y579-Y682 HydrophobicContact CE1-CE1 4.5Å; Y579-Y682 HydrophobicContact CE1-CE2 4.03Å; Y579-Y682 AromaticContact CE1-CG 3.32Å; Y579-Y682 HydrophobicContact CE1-CG 3.32Å; Y579-Y682 HydrophobicContact CE2-CD1 4.42Å; Y579-Y682 AromaticContact CE2-CD2 3.49Å; Y579-Y682 HydrophobicContact CE2-CD2 3.49Å; Y579-Y682 VanDerWaalsContact CE2-CD2 3.49Å; Y579-Y682 HydrophobicContact CE2-CE1 4.21Å; Y579-Y682 AromaticContact CE2-CE2 3.21Å; Y579-Y682 HydrophobicContact CE2-CE2 3.21Å; Y579-Y682 HydrophobicContact CE2-CG 4.09Å; Y579-Y682 AromaticContact CE2-CZ 3.61Å; Y579-Y682 AromaticContact CG-CD2 3.47Å; Y579-Y682 HydrophobicContact CG-CD2 3.47Å; Y579-Y682 VanDerWaalsContact CG-CD2 3.47Å; Y579-Y682 AromaticContact CG-CE2 3.89Å; Y579-Y682 HydrophobicContact CG-CE2 3.89Å; Y579-Y682 HydrophobicContact CG-CG 4.25Å; Y579-Y682 AromaticContact CZ-CD1 3.76Å; Y579-Y682 AromaticContact CZ-CD2 3.43Å; Y579-Y682 VanDerWaalsContact CZ-CD2 3.43Å; Y579-Y682 AromaticContact CZ-CE1 3.88Å; Y579-Y682 AromaticContact CZ-CE2 3.55Å; Y579-Y682 AromaticContact CZ-CG 3.52Å; Y579-Y682 AromaticContact CZ-CZ 3.77Å; Y579-G779 PolarHBondContact OH-O 2.94Å; Y579-G779 VanDerWaalsContact OH-O 3.09Å
580	L	69.1	Low	68.8	Low	78 Å²	78	52.5 Å²	52.5	41%	0.408	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-22.3	177.1	-75	176.2	0	0	0	113.4	R582 L651 M681	L580-R582 VanDerWaalsContact C-N 3.31Å; L580-L651 HydrophobicContact CD2-CD1 4.04Å; L580-M681 HydrophobicContact CD1-CG 4.44Å; L580-M681 HydrophobicContact CD1-SD 3.83Å; L580-M681 HydrophobicContact CD2-CG 4.19Å; L580-M681 HydrophobicContact CD2-SD 3.72Å; L580-M681 HydrophobicContact CG-CG 3.94Å; L580-M681 HydrophobicContact CG-SD 3.78Å
581	D	66.5	Low	70.8	Confident	117 Å²	117	49.3 Å²	49.3	63%	0.626	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	1.1	-176.8	54.4	-51.8	0	0	0	113.6	Y579	Y579-D581 WeakPolarHBondContact CB-OD1 3.5Å
582	R	70.5	Confident	72.5	Confident	65 Å²	65	44.7 Å²	44.7	25%	0.245	22%	0.215	C	C	.	.	S	Bend	trans	-143.2	148.7	-165.9	-38.1	179.5	-164.9	173.4	5.8	110.6	E543 Y579 L580	E543-R582 WeakPolarHBondContact OE1-CD 3.49Å; E543-R582 IonicContact OE1-CZ 2.71Å; E543-R582 IonicContact OE1-NE 3.69Å; E543-R582 IonicContact OE1-NH1 2.72Å; E543-R582 PolarHBondContact OE1-NH1 2.75Å; Y579-R582 VanDerWaalsContact CD1-NH2 3.25Å; L580-R582 VanDerWaalsContact C-N 3.31Å
583	P	72.3	Confident	74.2	Confident	39 Å²	39	38.2 Å²	38.2	25%	0.253	18%	0.181	S	C	.	.			trans	-64.2	143.3	167.8	30.1	-33.9	0	0	0	110	Y585 T644	P583-Y585 HydrophobicContact CB-CE2 4.49Å; P583-T644 HydrophobicContact CB-CG2 4.31Å; P583-T644 HydrophobicContact CG-CG2 4.31Å
584	Q	78	Confident	75	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.009	18%	0.176	C	C	.	.			trans	-132.5	134.8	-178.2	-64.3	-61.3	-28.3	0	0	110.4	P541 Y542 I578 L641 V642	P541-Q584 HydrophobicContact CB-CB 4.32Å; Y542-Q584 WeakPolarHBondContact O-CA 3.37Å; I578-Q584 HydrophobicContact CB-CG 4.13Å; I578-Q584 HydrophobicContact CG2-CB 4.14Å; I578-Q584 HydrophobicContact CG2-CG 4.05Å; Q584-L641 HydrophobicContact CB-CB 4.19Å; Q584-L641 HydrophobicContact CB-CD1 4.48Å; Q584-L641 PolarHBondContact O-N 2.73Å; Q584-V642 HydrophobicContact CB-CG2 4.43Å; Q584-V642 HydrophobicContact CG-CG2 4.45Å
585	Y	84.3	Confident	75.2	Confident	35 Å²	35	33.7 Å²	33.7	14%	0.137	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.1	-178.5	-59.1	-80.3	0	0	0	112	P541 Y542 M545 L548 P583 I639 Q640	P541-Y585 WeakPolarHBondContact CA-O 3.46Å; Y542-Y585 PolarHBondContact N-O 2.81Å; Y542-Y585 WeakPolarHBondContact O-CD2 3.45Å; Y542-Y585 PolarHBondContact O-N 2.78Å; M545-Y585 HydrophobicContact CB-CD2 4.4Å; M545-Y585 HydrophobicContact CB-CE2 4.32Å; M545-Y585 HydrophobicContact CE-CD1 4.15Å; M545-Y585 HydrophobicContact CE-CE1 3.58Å; L548-Y585 VanDerWaalsContact CD1-CB 3.48Å; P583-Y585 HydrophobicContact CB-CE2 4.49Å; Y585-I639 WeakPolarHBondContact CA-O 3.35Å; Y585-Q640 HydrophobicContact CD1-CB 3.78Å; Y585-Q640 HydrophobicContact CD1-CG 3.95Å; Y585-Q640 HydrophobicContact CE1-CB 3.81Å; Y585-Q640 HydrophobicContact CE1-CG 3.7Å
586	L	86	Confident	75	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	154.1	171	-49	-171.4	0	0	0	111.3	I538 P541 L576 W601 I638 I639 L641 I656	I538-L586 HydrophobicContact CG2-CD1 4.38Å; P541-L586 HydrophobicContact CB-CD2 3.95Å; L576-L586 HydrophobicContact CD2-CD1 4.15Å; L576-L586 HydrophobicContact CD2-CD2 3.34Å; L576-L586 HydrophobicContact CD2-CG 4.43Å; L586-W601 HydrophobicContact CB-CH2 3.9Å; L586-W601 HydrophobicContact CB-CZ3 4.47Å; L586-I638 CarbonylContact O-C 3.52Å; L586-I638 VanDerWaalsContact O-CA 3.31Å; L586-I638 WeakPolarHBondContact O-CA 3.48Å; L586-I638 WeakPolarHBondContact O-CG2 3.34Å; L586-I639 HydrophobicContact CB-CD1 4.29Å; L586-I639 HydrophobicContact CB-CG1 3.8Å; L586-I639 HydrophobicContact CD1-CD1 4.19Å; L586-I639 HydrophobicContact CG-CD1 4.49Å; L586-I639 HydrophobicContact CG-CG1 4.36Å; L586-I639 PolarHBondContact N-O 2.86Å; L586-I639 PolarHBondContact O-N 2.83Å; L586-L641 HydrophobicContact CD1-CD1 4.01Å; L586-L641 HydrophobicContact CD1-CG 4.41Å; L586-L641 HydrophobicContact CD2-CD1 3.84Å; L586-L641 HydrophobicContact CG-CD1 3.82Å; L586-L641 HydrophobicContact CG-CG 4.2Å; L586-I656 HydrophobicContact CD1-CD1 3.93Å; L586-I656 HydrophobicContact CD1-CG2 4.31Å
587	L	85.3	Confident	74.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.6	177.9	161.3	73.8	0	0	0	109.5	I538 Q539 L548 V552 V589 A636 S637 I638	I538-L587 CarbonylContact C-O 3.6Å; I538-L587 VanDerWaalsContact CA-O 3.29Å; I538-L587 WeakPolarHBondContact CA-O 3.27Å; Q539-L587 HydrophobicContact CB-CB 4.38Å; Q539-L587 HydrophobicContact CB-CD2 4.18Å; Q539-L587 PolarHBondContact N-O 2.85Å; Q539-L587 PolarHBondContact O-N 3.13Å; L548-L587 HydrophobicContact CD1-CB 4.23Å; L548-L587 HydrophobicContact CD2-CB 3.35Å; L548-L587 HydrophobicContact CD2-CD2 3.77Å; L548-L587 HydrophobicContact CD2-CG 4.17Å; L548-L587 HydrophobicContact CG-CB 4.36Å; V552-L587 HydrophobicContact CG2-CD1 3.44Å; V552-L587 VanDerWaalsContact CG2-CD1 3.44Å; V552-L587 HydrophobicContact CG2-CD2 3.41Å; V552-L587 VanDerWaalsContact CG2-CD2 3.41Å; V552-L587 HydrophobicContact CG2-CG 4.08Å; L587-V589 HydrophobicContact CD1-CG2 3.8Å; L587-V589 HydrophobicContact CD2-CG2 3.85Å; L587-V589 HydrophobicContact CG-CG2 3.71Å; L587-A636 HydrophobicContact CD1-CB 4.19Å; L587-S637 CarbonylContact C-O 3.59Å; L587-S637 WeakPolarHBondContact CA-O 3.4Å; L587-I638 HydrophobicContact CB-CG1 4.43Å; L587-I638 HydrophobicContact CD1-CG1 3.85Å
588	C	87.8	Confident	75	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.9	172.7	174.5	0	0	0	0	109.9	V536 N537 W601 A636 S637 C658	V536-C588 WeakPolarHBondContact CG1-SG 3.41Å; N537-C588 CarbonylContact O-C 3.53Å; N537-C588 VanDerWaalsContact O-CA 3.26Å; N537-C588 WeakPolarHBondContact O-CA 3.12Å; C588-W601 HydrophobicContact CB-CH2 3.6Å; C588-W601 HydrophobicContact CB-CZ2 3.3Å; C588-W601 HydrophobicContact CB-CZ3 4.29Å; C588-A636 CarbonylContact O-C 3.54Å; C588-A636 WeakPolarHBondContact O-CA 3.33Å; C588-S637 PolarHBondContact N-O 3.17Å; C588-S637 PolarHBondContact O-N 2.84Å; C588-C658 HydrophobicContact CB-CB 3.72Å; C588-C658 WeakPolarHBondContact CB-SG 3.38Å; C588-C658 WeakPolarHBondContact SG-CB 3.46Å; C588-C658 CovalentContact SG-SG 2.02Å; C588-C658 PolarHBondContact SG-SG 3.39Å
589	V	83.7	Confident	75.5	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.8	-174.9	-168.4	0	0	0	0	111.4	V536 N537 Y555 L587 I634 Q635 A636	V536-V589 CarbonylContact C-O 3.59Å; V536-V589 WeakPolarHBondContact CA-O 3.16Å; N537-V589 PolarHBondContact N-O 2.89Å; N537-V589 PolarHBondContact O-N 2.92Å; Y555-V589 HydrophobicContact CD1-CG1 4.29Å; Y555-V589 HydrophobicContact CD2-CB 3.99Å; Y555-V589 HydrophobicContact CD2-CG1 3.91Å; Y555-V589 HydrophobicContact CD2-CG2 3.71Å; Y555-V589 HydrophobicContact CE1-CG1 4.5Å; Y555-V589 HydrophobicContact CE2-CB 3.74Å; Y555-V589 HydrophobicContact CE2-CG1 4.06Å; Y555-V589 HydrophobicContact CE2-CG2 3.7Å; Y555-V589 HydrophobicContact CG-CG1 4.06Å; L587-V589 HydrophobicContact CD1-CG2 3.8Å; L587-V589 HydrophobicContact CD2-CG2 3.85Å; L587-V589 HydrophobicContact CG-CG2 3.71Å; V589-I634 HydrophobicContact CG1-CG2 3.59Å; V589-Q635 CarbonylContact C-O 3.58Å; V589-Q635 WeakPolarHBondContact CA-O 3.31Å; V589-A636 HydrophobicContact CG2-CB 4.27Å
590	T	79.4	Confident	76.1	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	165.2	172.4	73.4	0	0	0	0	113.1	V536 V597 I599 I634 Q635 A660	V536-T590 HydrophobicContact CG2-CG2 4.49Å; T590-V597 HydrophobicContact CG2-CG1 4.27Å; T590-I599 HydrophobicContact CG2-CD1 4.14Å; T590-I599 HydrophobicContact CG2-CG1 4.4Å; T590-I634 WeakPolarHBondContact O-CG2 3.36Å; T590-Q635 HydrophobicContact CG2-CB 4.17Å; T590-Q635 PolarHBondContact N-O 2.7Å; T590-Q635 PolarHBondContact OG1-N 2.78Å; T590-A660 HydrophobicContact CG2-CB 4.08Å
591	D	70.9	Confident	77	Confident	40 Å²	40	37.2 Å²	37.2	21%	0.214	18%	0.183	C	C	.	.			trans	-79.9	177.8	162.3	56.2	-2.3	0	0	0	112.9	P533 Q534 H535 Y593	P533-D591 WeakPolarHBondContact CA-OD1 3.41Å; P533-D591 WeakPolarHBondContact CB-OD1 3.33Å; Q534-D591 WeakPolarHBondContact CA-OD2 3.2Å; Q534-D591 WeakPolarHBondContact CB-OD2 3.31Å; Q534-D591 PolarHBondContact N-OD1 2.87Å; Q534-D591 PolarHBondContact N-OD2 2.91Å; Q534-D591 VanDerWaalsContact N-OD2 3.12Å; H535-D591 IonicContact CE1-OD2 2.66Å; H535-D591 IonicContact CG-OD2 3.99Å; H535-D591 VanDerWaalsContact N-CG 3.29Å; H535-D591 PolarHBondContact N-OD1 2.79Å; H535-D591 VanDerWaalsContact N-OD1 3.07Å; H535-D591 PolarHBondContact N-OD2 2.65Å; H535-D591 IonicContact ND1-OD2 3.14Å; H535-D591 PolarHBondContact ND1-OD2 2.91Å; H535-D591 PolarHBondContact O-N 3.39Å; D591-Y593 WeakPolarHBondContact O-CD1 3.47Å
592	E	67.6	Low	78.1	Confident	52 Å²	52	36.2 Å²	36.2	24%	0.243	17%	0.171	C	C	.	.			trans	-69.2	131.7	-176.7	-64.8	-175.9	-141.9	0	0	112.3	H531 R560 N632 I633 I634	H531-E592 PolarHBondContact CE1-O 3.37Å; H531-E592 VanDerWaalsContact CE1-O 3.31Å; R560-E592 IonicContact CZ-OE1 2.85Å; R560-E592 VanDerWaalsContact CZ-OE1 3.27Å; R560-E592 IonicContact NH1-OE1 2.68Å; R560-E592 PolarHBondContact NH1-OE1 3.29Å; R560-E592 IonicContact NH2-OE1 3.89Å; R560-E592 PolarHBondContact NH2-OE1 3.34Å; R560-E592 IonicContact NH2-OE2 2.63Å; E592-N632 PolarHBondContact OE2-ND2 2.74Å; E592-I633 WeakPolarHBondContact CA-O 3.12Å; E592-I634 HydrophobicContact CG-CD1 4.09Å; E592-I634 HydrophobicContact CG-CG1 4.26Å
593	Y	69.2	Low	78.8	Confident	3 Å²	3	33.1 Å²	33.1	1%	0.012	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-147.8	162.1	178.4	69	-91.6	0	0	0	115.9	P533 D591 V597 F631 N632 I633 Q635	P533-Y593 HydrophobicContact CB-CD1 3.99Å; P533-Y593 HydrophobicContact CB-CG 4.17Å; P533-Y593 VanDerWaalsContact CD-CB 3.47Å; P533-Y593 HydrophobicContact CG-CD1 4.27Å; P533-Y593 HydrophobicContact CG-CG 4.21Å; P533-Y593 VanDerWaalsContact N-CB 3.29Å; D591-Y593 WeakPolarHBondContact O-CD1 3.47Å; Y593-V597 HydrophobicContact CD1-CG2 3.97Å; Y593-V597 HydrophobicContact CD2-CG2 3.9Å; Y593-V597 HydrophobicContact CE1-CB 3.99Å; Y593-V597 HydrophobicContact CE1-CG2 3.58Å; Y593-V597 HydrophobicContact CE2-CB 4.17Å; Y593-V597 HydrophobicContact CE2-CG2 3.53Å; Y593-V597 HydrophobicContact CG-CG2 4.14Å; Y593-V597 PolarHBondContact OH-N 2.76Å; Y593-F631 CarbonylContact C-O 3.58Å; Y593-N632 WeakPolarHBondContact O-CA 3.35Å; Y593-I633 WeakPolarHBondContact CD1-O 3.42Å; Y593-I633 HydrophobicContact CE1-CB 4.2Å; Y593-I633 HydrophobicContact CE1-CG2 4.2Å; Y593-I633 VanDerWaalsContact CE1-O 3.32Å; Y593-I633 WeakPolarHBondContact CE1-O 3.37Å; Y593-I633 HydrophobicContact CE2-CB 3.95Å; Y593-I633 HydrophobicContact CE2-CG2 4.32Å; Y593-I633 PolarHBondContact N-O 2.84Å; Y593-I633 PolarHBondContact O-N 2.71Å; Y593-I633 WeakPolarHBondContact OH-CG2 3.49Å; Y593-Q635 PolarHBondContact OH-OE1 3.19Å
594	Y	67.1	Low	79.4	Confident	46 Å²	46	32.9 Å²	32.9	18%	0.18	15%	0.154	C	C	.	.	S	Bend	trans	-95.6	116.4	173.6	-172.3	-70.1	0	0	0	110.4	Q530 H531 F631	Q530-Y594 HydrophobicContact CG-CE1 4.28Å; Q530-Y594 HydrophobicContact CG-CE2 4.03Å; H531-Y594 WeakPolarHBondContact O-CB 3.11Å; H531-Y594 PolarHBondContact O-N 3.12Å; Y594-F631 VanDerWaalsContact CA-O 3.31Å; Y594-F631 WeakPolarHBondContact CA-O 3.35Å; Y594-F631 HydrophobicContact CD2-CB 3.66Å; Y594-F631 AromaticContact CD2-CD1 3.57Å; Y594-F631 HydrophobicContact CD2-CD1 3.57Å; Y594-F631 HydrophobicContact CD2-CE1 4.44Å; Y594-F631 AromaticContact CD2-CG 3.77Å; Y594-F631 HydrophobicContact CD2-CG 3.77Å; Y594-F631 HydrophobicContact CE1-CD1 4.36Å; Y594-F631 HydrophobicContact CE2-CB 3.94Å; Y594-F631 AromaticContact CE2-CD1 3.07Å; Y594-F631 HydrophobicContact CE2-CD1 3.07Å; Y594-F631 HydrophobicContact CE2-CD2 4.24Å; Y594-F631 AromaticContact CE2-CE1 3.54Å; Y594-F631 HydrophobicContact CE2-CE1 3.54Å; Y594-F631 AromaticContact CE2-CG 3.49Å; Y594-F631 HydrophobicContact CE2-CG 3.49Å; Y594-F631 VanDerWaalsContact CE2-CG 3.49Å; Y594-F631 HydrophobicContact CE2-CZ 4.29Å; Y594-F631 HydrophobicContact CG-CD1 4.38Å; Y594-F631 AromaticContact CZ-CD1 3.53Å; Y594-F631 AromaticContact CZ-CE1 3.6Å; Y594-F631 WeakPolarHBondContact OH-CE1 3.04Å
595	G	67.6	Low	79.4	Confident	23 Å²	23	34.6 Å²	34.6	24%	0.237	16%	0.163	C	C	.	.	S	Bend	trans	128.2	-136.3	174.4	0	0	0	0	0	114.4	I633	G595-I633 WeakPolarHBondContact O-CD1 3.18Å
596	Q	67.4	Low	78.5	Confident	139 Å²	139	38.9 Å²	38.9	65%	0.65	18%	0.184	S	C	*	.			trans	-132.5	157	170.7	-67.8	177.6	-33	0	0	110.5	S663	Q596-S663 PolarHBondContact N-OG 3.1Å; Q596-S663 WeakPolarHBondContact O-CB 3.28Å; Q596-S663 PolarHBondContact O-N 3.08Å; Q596-S663 PolarHBondContact O-OG 3.39Å
597	V	72.9	Confident	77.6	Confident	17 Å²	17	46.2 Å²	46.2	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	161.2	179.1	166.6	0	0	0	0	110.2	P533 T590 Y593 Q635 A660 L661 P662	P533-V597 HydrophobicContact CG-CG2 4.03Å; T590-V597 HydrophobicContact CG2-CG1 4.27Å; Y593-V597 HydrophobicContact CD1-CG2 3.97Å; Y593-V597 HydrophobicContact CD2-CG2 3.9Å; Y593-V597 HydrophobicContact CE1-CB 3.99Å; Y593-V597 HydrophobicContact CE1-CG2 3.58Å; Y593-V597 HydrophobicContact CE2-CB 4.17Å; Y593-V597 HydrophobicContact CE2-CG2 3.53Å; Y593-V597 HydrophobicContact CG-CG2 4.14Å; Y593-V597 PolarHBondContact OH-N 2.76Å; V597-Q635 PolarHBondContact O-NE2 2.8Å; V597-Q635 PolarHBondContact O-OE1 2.75Å; V597-A660 HydrophobicContact CG1-CB 3.87Å; V597-L661 CarbonylContact C-O 3.52Å; V597-L661 VanDerWaalsContact CA-O 3.23Å; V597-L661 WeakPolarHBondContact CA-O 3.09Å; V597-P662 HydrophobicContact CG2-CB 4.37Å
598	E	80.1	Confident	76.8	Confident	89 Å²	89	47.7 Å²	47.7	42%	0.416	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.4	167.9	-173.1	-165.3	-167.6	0	0	109.7	K600 A660 L661	E598-K600 VanDerWaalsContact CD-CE 3.46Å; E598-K600 WeakPolarHBondContact OE1-CE 3.45Å; E598-K600 IonicContact OE1-NZ 3.04Å; E598-K600 PolarHBondContact OE1-NZ 2.91Å; E598-K600 IonicContact OE2-NZ 3.87Å; E598-K600 PolarHBondContact OE2-NZ 2.8Å; E598-A660 CarbonylContact O-C 3.46Å; E598-A660 VanDerWaalsContact O-CA 3.25Å; E598-A660 WeakPolarHBondContact O-CA 3.3Å; E598-L661 HydrophobicContact CB-CB 4.33Å; E598-L661 PolarHBondContact N-O 2.75Å; E598-L661 PolarHBondContact O-N 3.14Å; E598-L661 WeakPolarHBondContact OE2-CD1 3.46Å
599	I	85.4	Confident	75.9	Confident	19 Å²	19	55 Å²	55	10%	0.097	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.5	176.5	-69.7	175.1	0	0	0	110.9	T590 Q635 C658 S659	T590-I599 HydrophobicContact CG2-CD1 4.14Å; T590-I599 HydrophobicContact CG2-CG1 4.4Å; I599-Q635 HydrophobicContact CD1-CB 3.86Å; I599-Q635 HydrophobicContact CD1-CG 3.88Å; I599-Q635 WeakPolarHBondContact CD1-O 3.29Å; I599-Q635 HydrophobicContact CG1-CB 4.46Å; I599-Q635 HydrophobicContact CG1-CG 4.32Å; I599-C658 VanDerWaalsContact CG2-SG 3.53Å; I599-S659 CarbonylContact C-O 3.5Å; I599-S659 VanDerWaalsContact CA-O 3.3Å; I599-S659 WeakPolarHBondContact CA-O 3.47Å
600	K	86.3	Confident	75.7	Confident	85 Å²	85	60.5 Å²	60.5	37%	0.37	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.7	178.1	-77.5	165.8	170.8	143.6	0	112.1	E598 C658 S659 L661	E598-K600 VanDerWaalsContact CD-CE 3.46Å; E598-K600 WeakPolarHBondContact OE1-CE 3.45Å; E598-K600 IonicContact OE1-NZ 3.04Å; E598-K600 PolarHBondContact OE1-NZ 2.91Å; E598-K600 IonicContact OE2-NZ 3.87Å; E598-K600 PolarHBondContact OE2-NZ 2.8Å; K600-C658 CarbonylContact O-C 3.42Å; K600-C658 WeakPolarHBondContact O-CA 3.41Å; K600-S659 PolarHBondContact N-O 2.88Å; K600-S659 PolarHBondContact O-N 2.92Å; K600-S659 PolarHBondContact O-OG 3.44Å; K600-L661 HydrophobicContact CD-CD1 4.09Å
601	W	89.7	Confident	75.7	Confident	3 Å²	3	64.1 Å²	64.1	1%	0.011	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	149.1	174.3	-70	99.1	0	0	0	112.4	I538 L586 C588 I614 S637 I639 I656 E657 C658	I538-W601 HydrophobicContact CD1-CZ3 4.15Å; I538-W601 HydrophobicContact CG1-CH2 4.44Å; I538-W601 HydrophobicContact CG1-CZ3 4.13Å; I538-W601 HydrophobicContact CG2-CH2 4.19Å; I538-W601 HydrophobicContact CG2-CZ3 4.19Å; L586-W601 HydrophobicContact CB-CH2 3.9Å; L586-W601 HydrophobicContact CB-CZ3 4.47Å; C588-W601 HydrophobicContact CB-CH2 3.6Å; C588-W601 HydrophobicContact CB-CZ2 3.3Å; C588-W601 HydrophobicContact CB-CZ3 4.29Å; W601-I614 HydrophobicContact CB-CB 4.17Å; W601-I614 PolarHBondContact O-N 3.25Å; W601-S637 WeakPolarHBondContact CZ2-O 3.41Å; W601-S637 PolarHBondContact NE1-OG 3.11Å; W601-I639 HydrophobicContact CB-CG2 4.41Å; W601-I639 HydrophobicContact CD2-CD1 3.92Å; W601-I639 HydrophobicContact CD2-CG1 4.18Å; W601-I639 HydrophobicContact CD2-CG2 4Å; W601-I639 HydrophobicContact CE3-CD1 3.6Å; W601-I639 HydrophobicContact CE3-CG1 4.21Å; W601-I639 HydrophobicContact CG-CG2 3.88Å; W601-I639 HydrophobicContact CH2-CD1 4.06Å; W601-I639 HydrophobicContact CH2-CG1 3.94Å; W601-I639 HydrophobicContact CZ2-CD1 4.35Å; W601-I639 HydrophobicContact CZ2-CG1 3.91Å; W601-I639 HydrophobicContact CZ3-CD1 3.69Å; W601-I639 HydrophobicContact CZ3-CG1 4.1Å; W601-I656 HydrophobicContact CE3-CG2 3.63Å; W601-I656 HydrophobicContact CZ3-CG2 3.65Å; W601-E657 CarbonylContact C-O 3.26Å; W601-E657 WeakPolarHBondContact CA-O 3.41Å; W601-C658 HydrophobicContact CD2-CB 4.19Å; W601-C658 HydrophobicContact CE3-CB 3.79Å; W601-C658 HydrophobicContact CZ3-CB 3.99Å
602	R	88.8	Confident	76.3	Confident	96 Å²	96	66.8 Å²	66.8	36%	0.362	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.2	168.6	-53.9	-177.8	-179.3	131.1	-11.8	111.7	W611 E612 I656 E657	R602-W611 HydrophobicContact CB-CB 4.14Å; R602-W611 HydrophobicContact CB-CD2 4.41Å; R602-W611 HydrophobicContact CB-CE3 3.75Å; R602-E612 CarbonylContact C-O 3.46Å; R602-E612 WeakPolarHBondContact CA-O 3.37Å; R602-E612 WeakPolarHBondContact CB-O 3Å; R602-I656 CarbonylContact O-C 3.59Å; R602-I656 WeakPolarHBondContact O-CA 3.32Å; R602-E657 HydrophobicContact CB-CB 4.31Å; R602-E657 IonicContact CZ-OE2 2.67Å; R602-E657 PolarHBondContact N-O 3.18Å; R602-E657 IonicContact NE-OE2 2.76Å; R602-E657 IonicContact NH1-OE2 2.63Å; R602-E657 PolarHBondContact NH1-OE2 2.69Å; R602-E657 PolarHBondContact O-N 3.46Å
603	G	85.8	Confident	77	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.9	174	0	0	0	0	0	112.4	W611 E612 W653 E655	G603-W611 CarbonylContact O-C 3.52Å; G603-W611 WeakPolarHBondContact O-CA 3.5Å; G603-E612 PolarHBondContact N-O 3.3Å; G603-E612 PolarHBondContact O-N 2.72Å; G603-W653 VanDerWaalsContact C-CE3 3.47Å; G603-W653 WeakPolarHBondContact O-CZ3 3.46Å; G603-E655 CarbonylContact C-O 3.36Å; G603-E655 WeakPolarHBondContact CA-O 3.23Å
604	K	84	Confident	77.7	Confident	34 Å²	34	70.4 Å²	70.4	15%	0.148	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.7	173.2	-168.2	178.4	-173.6	179	0	109.1	S608 E609 W611 W653 T654 E655	K604-S608 WeakPolarHBondContact CE-O 3.26Å; K604-S608 WeakPolarHBondContact CG-O 3.37Å; K604-E609 WeakPolarHBondContact CE-OE1 3.34Å; K604-E609 IonicContact NZ-OE1 3.06Å; K604-E609 PolarHBondContact NZ-OE1 2.69Å; K604-W611 HydrophobicContact CB-CE3 4.3Å; K604-W611 HydrophobicContact CB-CZ3 4.29Å; K604-W653 CarbonylContact O-C 3.52Å; K604-W653 WeakPolarHBondContact O-CA 3.22Å; K604-T654 PolarHBondContact O-N 3.43Å; K604-T654 PolarHBondContact O-OG1 2.84Å; K604-E655 HydrophobicContact CB-CB 3.87Å; K604-E655 HydrophobicContact CB-CG 4.22Å; K604-E655 HydrophobicContact CD-CG 4.06Å; K604-E655 WeakPolarHBondContact CD-OE2 3.2Å; K604-E655 PolarHBondContact N-O 2.83Å
605	L	78.4	Confident	78.5	Confident	39 Å²	39	73.7 Å²	73.7	20%	0.204	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	154.4	177.3	-76	109.5	0	0	0	111.8	N607 S608 E612 L652 W653	L605-N607 PolarHBondContact O-N 2.66Å; L605-S608 PolarHBondContact O-N 3.34Å; L605-E612 HydrophobicContact CD1-CG 4.04Å; L605-E612 WeakPolarHBondContact CD1-OE1 3.24Å; L605-E612 WeakPolarHBondContact CD1-OE2 3.24Å; L605-L652 WeakPolarHBondContact CA-O 3.26Å; L605-L652 HydrophobicContact CD2-CD1 3.89Å; L605-L652 HydrophobicContact CD2-CG 3.91Å; L605-W653 HydrophobicContact CD1-CE3 4.19Å; L605-W653 HydrophobicContact CD1-CH2 3.97Å; L605-W653 HydrophobicContact CD1-CZ3 3.46Å; L605-W653 VanDerWaalsContact CD1-CZ3 3.46Å; L605-W653 HydrophobicContact CG-CE3 3.89Å; L605-W653 HydrophobicContact CG-CH2 4.31Å; L605-W653 HydrophobicContact CG-CZ3 3.67Å
606	H	65	Low	79.2	Confident	124 Å²	124	75.5 Å²	75.5	57%	0.574	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-31.5	-178.1	-168.9	69	0	0	0	114.8	L652 T654	H606-L652 PolarHBondContact N-O 3.25Å; H606-T654 HydrophobicContact CB-CG2 4Å; H606-T654 WeakPolarHBondContact ND1-CG2 3.34Å
607	N	66.9	Low	79.8	Confident	155 Å²	155	72.4 Å²	72.4	83%	0.829	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	24.1	179.3	-64.6	-15.4	0	0	0	113.4	L605	L605-N607 PolarHBondContact O-N 2.66Å
608	S	68.7	Low	80.1	Confident	31 Å²	31	74.9 Å²	74.9	22%	0.217	38%	0.38	C	S	.	.			trans	-129.9	134	-177	-171.1	0	0	0	0	112.4	K604 L605 N610	K604-S608 WeakPolarHBondContact CE-O 3.26Å; K604-S608 WeakPolarHBondContact CG-O 3.37Å; L605-S608 PolarHBondContact O-N 3.34Å; S608-N610 VanDerWaalsContact C-N 3.28Å; S608-N610 PolarHBondContact OG-N 3.36Å; S608-N610 VanDerWaalsContact OG-N 3.12Å
609	E	69.9	Low	79.9	Confident	154 Å²	154	73.9 Å²	73.9	72%	0.72	38%	0.382	S	S	*	.	S	Bend	trans	-75.3	-19.3	166.4	-82	-71.3	93	0	0	112.5	K604	K604-E609 WeakPolarHBondContact CE-OE1 3.34Å; K604-E609 IonicContact NZ-OE1 3.06Å; K604-E609 PolarHBondContact NZ-OE1 2.69Å
610	N	77.7	Confident	79.3	Confident	117 Å²	117	75.4 Å²	75.4	63%	0.626	39%	0.389	S	S	*	.	S	Bend	trans	-82.6	138.2	-173.7	-66.2	-32.7	0	0	0	112.3	S608	S608-N610 VanDerWaalsContact C-N 3.28Å; S608-N610 PolarHBondContact OG-N 3.36Å; S608-N610 VanDerWaalsContact OG-N 3.12Å
611	W	81	Confident	78.3	Confident	80 Å²	80	75.1 Å²	75.1	30%	0.303	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	112.8	168	-71.3	98.4	0	0	0	110.8	R602 G603 K604 E655 E657 Q676	R602-W611 HydrophobicContact CB-CB 4.14Å; R602-W611 HydrophobicContact CB-CD2 4.41Å; R602-W611 HydrophobicContact CB-CE3 3.75Å; G603-W611 CarbonylContact O-C 3.52Å; G603-W611 WeakPolarHBondContact O-CA 3.5Å; K604-W611 HydrophobicContact CB-CE3 4.3Å; K604-W611 HydrophobicContact CB-CZ3 4.29Å; W611-E655 HydrophobicContact CH2-CB 3.77Å; W611-E655 HydrophobicContact CZ3-CB 4.23Å; W611-E657 HydrophobicContact CE3-CB 4.07Å; W611-E657 HydrophobicContact CH2-CB 3.88Å; W611-E657 HydrophobicContact CZ3-CB 3.63Å; W611-Q676 HydrophobicContact CH2-CG 4.43Å
612	E	82.2	Confident	76.7	Confident	97 Å²	97	76 Å²	76	45%	0.453	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	149.7	173.2	-63.5	-171.7	-175.7	0	0	111	R602 G603 L605 I614 W653	R602-E612 CarbonylContact C-O 3.46Å; R602-E612 WeakPolarHBondContact CA-O 3.37Å; R602-E612 WeakPolarHBondContact CB-O 3Å; G603-E612 PolarHBondContact N-O 3.3Å; G603-E612 PolarHBondContact O-N 2.72Å; L605-E612 HydrophobicContact CD1-CG 4.04Å; L605-E612 WeakPolarHBondContact CD1-OE1 3.24Å; L605-E612 WeakPolarHBondContact CD1-OE2 3.24Å; E612-I614 PolarHBondContact O-N 2.95Å; E612-W653 HydrophobicContact CB-CH2 4Å; E612-W653 HydrophobicContact CB-CZ3 4.07Å
613	V	82.8	Confident	75	Confident	112 Å²	112	74.8 Å²	74.8	68%	0.679	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.9	-179.3	178.1	0	0	0	0	109.8
614	I	83.9	Confident	73.2	Confident	18 Å²	18	78.1 Å²	78.1	9%	0.092	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-82	121.3	171.4	-55.8	175.6	0	0	0	107.8	W601 E612 P616 I639 W653 I656	W601-I614 HydrophobicContact CB-CB 4.17Å; W601-I614 PolarHBondContact O-N 3.25Å; E612-I614 PolarHBondContact O-N 2.95Å; I614-P616 WeakPolarHBondContact O-CD 3.37Å; I614-I639 HydrophobicContact CB-CG2 4.39Å; I614-I639 HydrophobicContact CD1-CD1 3.97Å; I614-I639 HydrophobicContact CG2-CB 4.06Å; I614-I639 HydrophobicContact CG2-CD1 4.25Å; I614-I639 HydrophobicContact CG2-CG2 3.57Å; I614-W653 HydrophobicContact CD1-CD2 4.39Å; I614-W653 HydrophobicContact CG1-CH2 4.42Å; I614-W653 HydrophobicContact CG1-CZ2 4.12Å; I614-I656 HydrophobicContact CD1-CD1 3.74Å; I614-I656 HydrophobicContact CD1-CG1 3.97Å; I614-I656 HydrophobicContact CD1-CG2 4.48Å
615	T	83.3	Confident	70.9	Confident	116 Å²	116	80.7 Å²	80.7	71%	0.712	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-68.4	122.1	173.2	49.7	0	0	0	0	110.1
616	P	82.5	Confident	69.1	Low	61 Å²	61	80.9 Å²	80.9	40%	0.396	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-65.4	142.1	174.8	27.4	-33.3	0	0	0	111.4	I614 E618 S637 I638 I639	I614-P616 WeakPolarHBondContact O-CD 3.37Å; P616-E618 VanDerWaalsContact C-N 3.27Å; P616-S637 VanDerWaalsContact CB-OG 3.26Å; P616-S637 WeakPolarHBondContact CB-OG 3.06Å; P616-I638 CarbonylContact C-O 3.6Å; P616-I638 VanDerWaalsContact CA-O 3.27Å; P616-I638 WeakPolarHBondContact CA-O 3.24Å; P616-I638 WeakPolarHBondContact CB-O 3.49Å; P616-I639 HydrophobicContact CB-CG2 4.45Å
617	V	81.1	Confident	67.6	Low	74 Å²	74	78.4 Å²	78.4	45%	0.448	44%	0.441	S	S	.	.	S	Bend	trans	-67.1	-34.7	169.3	178.8	0	0	0	0	109.9	M545 I638 Q640	M545-V617 HydrophobicContact CE-CG1 3.89Å; V617-I638 PolarHBondContact N-O 2.86Å; V617-Q640 HydrophobicContact CG2-CB 4.34Å
618	E	79.1	Confident	66.2	Low	69 Å²	69	77.2 Å²	77.2	32%	0.322	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	145.3	-178.3	-154	169.1	148.8	0	0	110.7	K549 P616 F620 S637 I638	K549-E618 WeakPolarHBondContact CE-OE2 3.28Å; K549-E618 IonicContact NZ-OE1 3.2Å; K549-E618 PolarHBondContact NZ-OE1 3.41Å; K549-E618 IonicContact NZ-OE2 3.89Å; K549-E618 PolarHBondContact NZ-OE2 3.14Å; P616-E618 VanDerWaalsContact C-N 3.27Å; E618-F620 HydrophobicContact CG-CD1 4.09Å; E618-F620 HydrophobicContact CG-CE1 4.39Å; E618-S637 CarbonylContact O-C 3.47Å; E618-S637 VanDerWaalsContact O-CA 3.28Å; E618-S637 WeakPolarHBondContact O-CA 3.38Å; E618-S637 PolarHBondContact O-OG 2.77Å; E618-I638 PolarHBondContact O-N 2.04Å
619	S	75.4	Confident	65	Low	67 Å²	67	80.8 Å²	80.8	47%	0.469	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	132.5	174.6	-67.1	0	0	0	0	109.9	A636 S637	S619-A636 CarbonylContact C-O 3.54Å; S619-A636 WeakPolarHBondContact CA-O 3.32Å; S619-S637 WeakPolarHBondContact OG-CB 3.47Å; S619-S637 PolarHBondContact OG-OG 2.83Å
620	F	72.4	Confident	63.8	Low	51 Å²	51	79.8 Å²	79.8	22%	0.224	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	143.9	-171.3	52.5	-82	0	0	0	113.3	V552 E618 A636 I638	V552-F620 HydrophobicContact CB-CE2 4.38Å; V552-F620 HydrophobicContact CB-CZ 4.42Å; V552-F620 HydrophobicContact CG1-CE2 3.73Å; V552-F620 HydrophobicContact CG1-CZ 4.16Å; V552-F620 HydrophobicContact CG2-CZ 4.17Å; E618-F620 HydrophobicContact CG-CD1 4.09Å; E618-F620 HydrophobicContact CG-CE1 4.39Å; F620-A636 HydrophobicContact CD2-CB 4.34Å; F620-A636 HydrophobicContact CE1-CB 4.43Å; F620-A636 HydrophobicContact CE2-CB 4.02Å; F620-A636 HydrophobicContact CZ-CB 4.05Å; F620-A636 PolarHBondContact N-O 2.91Å; F620-A636 PolarHBondContact O-N 2.96Å; F620-I638 HydrophobicContact CE1-CD1 4.12Å
621	P	66.5	Low	62.6	Low	79 Å²	79	75.6 Å²	75.6	51%	0.513	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.8	168.8	31.5	-32.6	0	0	0	110.5	N623 I634	P621-N623 PolarHBondContact O-N 3.31Å; P621-I634 CarbonylContact C-O 3.55Å
622	C	56.4	Low	61.3	Low	21 Å²	21	74 Å²	74	14%	0.142	42%	0.42	C	S	.	.			trans	-86.3	53	179.2	-55.6	0	0	0	0	111.4	V552 I634 A636	V552-C622 WeakPolarHBondContact CG1-SG 3.45Å; C622-I634 HydrophobicContact CB-CB 3.95Å; C622-I634 HydrophobicContact CB-CG2 3.78Å; C622-I634 PolarHBondContact N-O 3.35Å; C622-A636 VanDerWaalsContact SG-CB 3.54Å
623	N	52.8	Low	60.2	Low	72 Å²	72	70.7 Å²	70.7	39%	0.385	41%	0.405	S	S	.	.			trans	-89.7	134	173.5	-78.9	-18.1	0	0	0	110.8	P621 I633	P621-N623 PolarHBondContact O-N 3.31Å; N623-I633 WeakPolarHBondContact OD1-CG1 3.45Å; N623-I633 WeakPolarHBondContact OD1-CG2 3.33Å
624	E	46.3	Very low	59.3	Low	69 Å²	69	65.9 Å²	65.9	32%	0.322	38%	0.376	S	S	.	.			trans	-65.1	133.3	154.8	-68.8	169	93.3	0	0	108.2	F462 D626 R1195	F462-E624 WeakPolarHBondContact CZ-OE1 2.98Å; E624-D626 VanDerWaalsContact C-N 3.29Å; E624-D626 PolarHBondContact O-N 2.83Å; E624-R1195 IonicContact OE2-CZ 3.61Å; E624-R1195 VanDerWaalsContact OE2-CZ 3.27Å; E624-R1195 IonicContact OE2-NE 2.62Å; E624-R1195 PolarHBondContact OE2-NE 2.94Å; E624-R1195 IonicContact OE2-NH2 3.18Å; E624-R1195 PolarHBondContact OE2-NH2 3.38Å
625	P	37.5	Very low	58.9	Low	88 Å²	88	66.7 Å²	66.7	57%	0.571	38%	0.379	S	S	*	.			trans	-73.1	89.6	168	30.7	-31.7	0	0	0	108.1	N1191	P625-N1191 HydrophobicContact CG-CB 4.21Å
626	D	39.7	Very low	58.9	Low	43 Å²	43	61.2 Å²	61.2	23%	0.23	35%	0.345	C	S	.	.			trans	-161.9	152.3	155.6	-117.1	-27.7	0	0	0	119.6	E624 R1190 N1191 S1192 I1193	E624-D626 VanDerWaalsContact C-N 3.29Å; E624-D626 PolarHBondContact O-N 2.83Å; D626-R1190 VanDerWaalsContact OD2-O 3.12Å; D626-N1191 VanDerWaalsContact OD2-CA 3.28Å; D626-N1191 WeakPolarHBondContact OD2-CA 3.41Å; D626-S1192 VanDerWaalsContact CG-C 3.45Å; D626-S1192 VanDerWaalsContact CG-N 3.29Å; D626-S1192 WeakPolarHBondContact OD1-CA 3.4Å; D626-S1192 PolarHBondContact OD1-N 3.36Å; D626-S1192 VanDerWaalsContact OD1-N 3.15Å; D626-S1192 WeakPolarHBondContact OD2-CA 3.43Å; D626-S1192 PolarHBondContact OD2-N 2.73Å; D626-I1193 VanDerWaalsContact CG-C 3.49Å; D626-I1193 PolarHBondContact OD1-N 2.9Å; D626-I1193 PolarHBondContact OD2-N 2.91Å; D626-I1193 VanDerWaalsContact OD2-O 3.14Å
627	A	33.5	Very low	59	Low	73 Å²	73	58.3 Å²	58.3	60%	0.603	33%	0.326	S	S	*	.			trans	-103	104.3	-164.2	0	0	0	0	0	115.3
628	L	38.5	Very low	59.3	Low	130 Å²	130	54.8 Å²	54.8	68%	0.681	31%	0.305	S	S	*	.	S	Bend		-162.7	115.2	116.4	-144.9	71.8	0	0	0	111	S1194	L628-S1194 PolarHBondContact N-OG 3.43Å
629	H	43.3	Very low	59.6	Low	105 Å²	105	51.5 Å²	51.5	49%	0.486	29%	0.29	S	S	.	.			trans	86.5	138.7	179.6	-56.5	-17	0	0	0	117.4	F631	H629-F631 HydrophobicContact CB-CD2 3.64Å; H629-F631 HydrophobicContact CB-CE2 3.55Å; H629-F631 HydrophobicContact CB-CG 4.45Å; H629-F631 HydrophobicContact CB-CZ 4.3Å; H629-F631 AromaticContact CG-CE2 3.86Å; H629-F631 PolarHBondContact O-N 3.14Å
630	N	45.1	Very low	60	Low	134 Å²	134	51.9 Å²	51.9	72%	0.717	28%	0.284	S	S	*	.			trans	-94.3	17.6	-158.2	-77.8	-4.6	0	0	0	115.7
631	F	52.2	Low	60.2	Low	28 Å²	28	50.7 Å²	50.7	12%	0.123	28%	0.28	C	S	.	.			trans	-105.5	-9.9	-140.5	-57.2	-34.7	0	0	0	118.4	L528 Y593 Y594 H629	L528-F631 HydrophobicContact CD1-CD2 4.48Å; L528-F631 HydrophobicContact CD1-CE2 3.94Å; L528-F631 HydrophobicContact CD2-CD2 3.94Å; L528-F631 HydrophobicContact CD2-CE2 4.24Å; Y593-F631 CarbonylContact C-O 3.58Å; Y594-F631 VanDerWaalsContact CA-O 3.31Å; Y594-F631 WeakPolarHBondContact CA-O 3.35Å; Y594-F631 HydrophobicContact CD2-CB 3.66Å; Y594-F631 AromaticContact CD2-CD1 3.57Å; Y594-F631 HydrophobicContact CD2-CD1 3.57Å; Y594-F631 HydrophobicContact CD2-CE1 4.44Å; Y594-F631 AromaticContact CD2-CG 3.77Å; Y594-F631 HydrophobicContact CD2-CG 3.77Å; Y594-F631 HydrophobicContact CE1-CD1 4.36Å; Y594-F631 HydrophobicContact CE2-CB 3.94Å; Y594-F631 AromaticContact CE2-CD1 3.07Å; Y594-F631 HydrophobicContact CE2-CD1 3.07Å; Y594-F631 HydrophobicContact CE2-CD2 4.24Å; Y594-F631 AromaticContact CE2-CE1 3.54Å; Y594-F631 HydrophobicContact CE2-CE1 3.54Å; Y594-F631 AromaticContact CE2-CG 3.49Å; Y594-F631 HydrophobicContact CE2-CG 3.49Å; Y594-F631 VanDerWaalsContact CE2-CG 3.49Å; Y594-F631 HydrophobicContact CE2-CZ 4.29Å; Y594-F631 HydrophobicContact CG-CD1 4.38Å; Y594-F631 AromaticContact CZ-CD1 3.53Å; Y594-F631 AromaticContact CZ-CE1 3.6Å; Y594-F631 WeakPolarHBondContact OH-CE1 3.04Å; H629-F631 HydrophobicContact CB-CD2 3.64Å; H629-F631 HydrophobicContact CB-CE2 3.55Å; H629-F631 HydrophobicContact CB-CG 4.45Å; H629-F631 HydrophobicContact CB-CZ 4.3Å; H629-F631 AromaticContact CG-CE2 3.86Å; H629-F631 PolarHBondContact O-N 3.14Å
632	N	52	Low	60.1	Low	47 Å²	47	48 Å²	48	25%	0.251	26%	0.262	S	S	.	.			trans	-131.4	111.8	174.1	-60.4	50.2	0	0	0	109.4	E592 Y593	E592-N632 PolarHBondContact OE2-ND2 2.74Å; Y593-N632 WeakPolarHBondContact O-CA 3.35Å
633	I	59.2	Low	60.1	Low	28 Å²	28	52.1 Å²	52.1	14%	0.144	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-120.8	150.6	176.1	-55.1	-170.6	0	0	0	109.3	E592 Y593 G595 N623	E592-I633 WeakPolarHBondContact CA-O 3.12Å; Y593-I633 WeakPolarHBondContact CD1-O 3.42Å; Y593-I633 HydrophobicContact CE1-CB 4.2Å; Y593-I633 HydrophobicContact CE1-CG2 4.2Å; Y593-I633 VanDerWaalsContact CE1-O 3.32Å; Y593-I633 WeakPolarHBondContact CE1-O 3.37Å; Y593-I633 HydrophobicContact CE2-CB 3.95Å; Y593-I633 HydrophobicContact CE2-CG2 4.32Å; Y593-I633 PolarHBondContact N-O 2.84Å; Y593-I633 PolarHBondContact O-N 2.71Å; Y593-I633 WeakPolarHBondContact OH-CG2 3.49Å; G595-I633 WeakPolarHBondContact O-CD1 3.18Å; N623-I633 WeakPolarHBondContact OD1-CG1 3.45Å; N623-I633 WeakPolarHBondContact OD1-CG2 3.33Å
634	I	64.4	Low	59.9	Low	11 Å²	11	53.7 Å²	53.7	6%	0.056	30%	0.299	C	S	.	.			trans	-124.4	152.5	164.8	-74.9	177.8	0	0	0	107.7	N556 V589 T590 E592 P621 C622	N556-I634 WeakPolarHBondContact OD1-CD1 3.15Å; V589-I634 HydrophobicContact CG1-CG2 3.59Å; T590-I634 WeakPolarHBondContact O-CG2 3.36Å; E592-I634 HydrophobicContact CG-CD1 4.09Å; E592-I634 HydrophobicContact CG-CG1 4.26Å; P621-I634 CarbonylContact C-O 3.55Å; C622-I634 HydrophobicContact CB-CB 3.95Å; C622-I634 HydrophobicContact CB-CG2 3.78Å; C622-I634 PolarHBondContact N-O 3.35Å
635	Q	76.5	Confident	59.9	Low	35 Å²	35	56.7 Å²	56.7	16%	0.164	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.4	176.5	-157.7	158.1	-54.4	0	0	112	V589 T590 Y593 V597 I599	V589-Q635 CarbonylContact C-O 3.58Å; V589-Q635 WeakPolarHBondContact CA-O 3.31Å; T590-Q635 HydrophobicContact CG2-CB 4.17Å; T590-Q635 PolarHBondContact N-O 2.7Å; T590-Q635 PolarHBondContact OG1-N 2.78Å; Y593-Q635 PolarHBondContact OH-OE1 3.19Å; V597-Q635 PolarHBondContact O-NE2 2.8Å; V597-Q635 PolarHBondContact O-OE1 2.75Å; I599-Q635 HydrophobicContact CD1-CB 3.86Å; I599-Q635 HydrophobicContact CD1-CG 3.88Å; I599-Q635 WeakPolarHBondContact CD1-O 3.29Å; I599-Q635 HydrophobicContact CG1-CB 4.46Å; I599-Q635 HydrophobicContact CG1-CG 4.32Å
636	A	81.7	Confident	60.4	Low	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156.9	-176.7	0	0	0	0	0	114	V552 L587 C588 V589 S619 F620 C622	V552-A636 HydrophobicContact CG1-CB 4.12Å; V552-A636 HydrophobicContact CG2-CB 4.48Å; L587-A636 HydrophobicContact CD1-CB 4.19Å; C588-A636 CarbonylContact O-C 3.54Å; C588-A636 WeakPolarHBondContact O-CA 3.33Å; V589-A636 HydrophobicContact CG2-CB 4.27Å; S619-A636 CarbonylContact C-O 3.54Å; S619-A636 WeakPolarHBondContact CA-O 3.32Å; F620-A636 HydrophobicContact CD2-CB 4.34Å; F620-A636 HydrophobicContact CE1-CB 4.43Å; F620-A636 HydrophobicContact CE2-CB 4.02Å; F620-A636 HydrophobicContact CZ-CB 4.05Å; F620-A636 PolarHBondContact N-O 2.91Å; F620-A636 PolarHBondContact O-N 2.96Å; C622-A636 VanDerWaalsContact SG-CB 3.54Å
637	S	86	Confident	60.7	Low	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	150.3	177.7	-172.7	0	0	0	0	112.9	L587 C588 W601 P616 E618 S619	L587-S637 CarbonylContact C-O 3.59Å; L587-S637 WeakPolarHBondContact CA-O 3.4Å; C588-S637 PolarHBondContact N-O 3.17Å; C588-S637 PolarHBondContact O-N 2.84Å; W601-S637 WeakPolarHBondContact CZ2-O 3.41Å; W601-S637 PolarHBondContact NE1-OG 3.11Å; P616-S637 VanDerWaalsContact CB-OG 3.26Å; P616-S637 WeakPolarHBondContact CB-OG 3.06Å; E618-S637 CarbonylContact O-C 3.47Å; E618-S637 VanDerWaalsContact O-CA 3.28Å; E618-S637 WeakPolarHBondContact O-CA 3.38Å; E618-S637 PolarHBondContact O-OG 2.77Å; S619-S637 WeakPolarHBondContact OG-CB 3.47Å; S619-S637 PolarHBondContact OG-OG 2.83Å
638	I	86	Confident	61.3	Low	0 Å²	0	77 Å²	77	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.8	-171.4	-63.4	175.6	0	0	0	111.9	L548 K549 L586 L587 P616 V617 E618 F620	L548-I638 HydrophobicContact CB-CD1 4.41Å; L548-I638 HydrophobicContact CD1-CG2 4.06Å; K549-I638 HydrophobicContact CG-CD1 4.46Å; L586-I638 CarbonylContact O-C 3.52Å; L586-I638 VanDerWaalsContact O-CA 3.31Å; L586-I638 WeakPolarHBondContact O-CA 3.48Å; L586-I638 WeakPolarHBondContact O-CG2 3.34Å; L587-I638 HydrophobicContact CB-CG1 4.43Å; L587-I638 HydrophobicContact CD1-CG1 3.85Å; P616-I638 CarbonylContact C-O 3.6Å; P616-I638 VanDerWaalsContact CA-O 3.27Å; P616-I638 WeakPolarHBondContact CA-O 3.24Å; P616-I638 WeakPolarHBondContact CB-O 3.49Å; V617-I638 PolarHBondContact N-O 2.86Å; E618-I638 PolarHBondContact O-N 2.04Å; F620-I638 HydrophobicContact CE1-CD1 4.12Å
639	I	87.2	Confident	61.7	Low	1 Å²	1	77.1 Å²	77.1	1%	0.005	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	161.5	172.3	56.1	169.6	0	0	0	112.4	Y585 L586 W601 I614 P616 I656	Y585-I639 WeakPolarHBondContact CA-O 3.35Å; L586-I639 HydrophobicContact CB-CD1 4.29Å; L586-I639 HydrophobicContact CB-CG1 3.8Å; L586-I639 HydrophobicContact CD1-CD1 4.19Å; L586-I639 HydrophobicContact CG-CD1 4.49Å; L586-I639 HydrophobicContact CG-CG1 4.36Å; L586-I639 PolarHBondContact N-O 2.86Å; L586-I639 PolarHBondContact O-N 2.83Å; W601-I639 HydrophobicContact CB-CG2 4.41Å; W601-I639 HydrophobicContact CD2-CD1 3.92Å; W601-I639 HydrophobicContact CD2-CG1 4.18Å; W601-I639 HydrophobicContact CD2-CG2 4Å; W601-I639 HydrophobicContact CE3-CD1 3.6Å; W601-I639 HydrophobicContact CE3-CG1 4.21Å; W601-I639 HydrophobicContact CG-CG2 3.88Å; W601-I639 HydrophobicContact CH2-CD1 4.06Å; W601-I639 HydrophobicContact CH2-CG1 3.94Å; W601-I639 HydrophobicContact CZ2-CD1 4.35Å; W601-I639 HydrophobicContact CZ2-CG1 3.91Å; W601-I639 HydrophobicContact CZ3-CD1 3.69Å; W601-I639 HydrophobicContact CZ3-CG1 4.1Å; I614-I639 HydrophobicContact CB-CG2 4.39Å; I614-I639 HydrophobicContact CD1-CD1 3.97Å; I614-I639 HydrophobicContact CG2-CB 4.06Å; I614-I639 HydrophobicContact CG2-CD1 4.25Å; I614-I639 HydrophobicContact CG2-CG2 3.57Å; P616-I639 HydrophobicContact CB-CG2 4.45Å; I639-I656 HydrophobicContact CD1-CD1 3.86Å; I639-I656 HydrophobicContact CD1-CG2 4.01Å
640	Q	83.2	Confident	62.2	Low	75 Å²	75	76 Å²	76	35%	0.35	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.2	173.9	-177.8	175.7	-18.7	0	0	110.8	Y585 V617 V642	Y585-Q640 HydrophobicContact CD1-CB 3.78Å; Y585-Q640 HydrophobicContact CD1-CG 3.95Å; Y585-Q640 HydrophobicContact CE1-CB 3.81Å; Y585-Q640 HydrophobicContact CE1-CG 3.7Å; V617-Q640 HydrophobicContact CG2-CB 4.34Å; Q640-V642 PolarHBondContact NE2-O 2.74Å
641	L	76.4	Confident	62.9	Low	26 Å²	26	70.9 Å²	70.9	14%	0.136	36%	0.36	C	S	.	.			trans	-100.2	-44.9	-175	-83.1	174.6	0	0	0	115.1	I578 Q584 L586 I656 L679	I578-L641 HydrophobicContact CD1-CD1 4.45Å; I578-L641 HydrophobicContact CG2-CD1 3.87Å; Q584-L641 HydrophobicContact CB-CB 4.19Å; Q584-L641 HydrophobicContact CB-CD1 4.48Å; Q584-L641 PolarHBondContact O-N 2.73Å; L586-L641 HydrophobicContact CD1-CD1 4.01Å; L586-L641 HydrophobicContact CD1-CG 4.41Å; L586-L641 HydrophobicContact CD2-CD1 3.84Å; L586-L641 HydrophobicContact CG-CD1 3.82Å; L586-L641 HydrophobicContact CG-CG 4.2Å; L641-I656 HydrophobicContact CD2-CD1 3.46Å; L641-I656 VanDerWaalsContact CD2-CD1 3.46Å; L641-I656 HydrophobicContact CG-CD1 4.47Å; L641-L679 HydrophobicContact CD1-CD1 4.32Å; L641-L679 HydrophobicContact CD1-CD2 4.13Å; L641-L679 HydrophobicContact CD2-CD1 3.7Å
642	V	65.2	Low	63.7	Low	21 Å²	21	74.7 Å²	74.7	13%	0.127	38%	0.381	C	S	.	.			trans	-123.1	139.3	-169	-175.8	0	0	0	0	110.1	Q584 Q640	Q584-V642 HydrophobicContact CB-CG2 4.43Å; Q584-V642 HydrophobicContact CG-CG2 4.45Å; Q640-V642 PolarHBondContact NE2-O 2.74Å
643	T	55.1	Low	65	Low	108 Å²	108	74.1 Å²	74.1	66%	0.663	38%	0.375	S	S	*	.			trans	-111	143.2	176.4	57.2	0	0	0	0	110.5	N645	T643-N645 VanDerWaalsContact C-N 3.26Å; T643-N645 PolarHBondContact O-N 2.9Å
644	T	49.6	Very low	66	Low	105 Å²	105	74.7 Å²	74.7	64%	0.644	38%	0.38	S	S	*	.	S	Bend	trans	-86.6	22.6	-169.6	51.6	0	0	0	0	114.6	P583	P583-T644 HydrophobicContact CB-CG2 4.31Å; P583-T644 HydrophobicContact CG-CG2 4.31Å
645	N	45.8	Very low	67	Low	133 Å²	133	75.4 Å²	75.4	71%	0.711	38%	0.383	S	S	*	.			trans	-139.3	141.2	-173.4	-90.1	-57.2	0	0	0	113.2	T643	T643-N645 VanDerWaalsContact C-N 3.26Å; T643-N645 PolarHBondContact O-N 2.9Å
646	Q	46.7	Very low	67.5	Low	192 Å²	192	73.8 Å²	73.8	90%	0.897	38%	0.376	S	S	*	.	S	Bend	trans	77.9	165.3	179.6	-49.4	-171.1	5.7	0	0	115.6
647	K	46.2	Very low	67.9	Low	184 Å²	184	74.4 Å²	74.4	80%	0.8	38%	0.378	S	S	*	.	S	Bend	trans	-53.3	155.5	-161.6	-62.2	174.6	179.5	177.3	0	113.8	N649	K647-N649 PolarHBondContact O-N 2.8Å
648	R	46.7	Very low	68.1	Low	254 Å²	254	74.4 Å²	74.4	96%	0.958	38%	0.378	S	S	*	.			trans	-52.3	75.1	175.1	-66.6	-175.1	-177.5	177.7	0.1	113.2
649	N	47.5	Very low	68.1	Low	132 Å²	132	74.6 Å²	74.6	71%	0.706	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-90.5	151.8	174.1	-70.9	-11.8	0	0	0	109.5	K647	K647-N649 PolarHBondContact O-N 2.8Å
650	A	53.8	Low	67.9	Low	83 Å²	83	74.6 Å²	74.6	69%	0.686	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-64.4	162.6	178.6	0	0	0	0	0	112.1	L652	A650-L652 PolarHBondContact O-N 2.98Å
651	L	59.2	Low	67.8	Low	26 Å²	26	73.1 Å²	73.1	14%	0.136	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-60.8	124.1	-179.6	-158	74	0	0	0	111	I578 L580 W653 L679 M681	I578-L651 HydrophobicContact CD1-CD1 3.39Å; I578-L651 HydrophobicContact CD1-CD2 3.65Å; I578-L651 HydrophobicContact CD1-CG 4.14Å; L580-L651 HydrophobicContact CD2-CD1 4.04Å; L651-W653 WeakPolarHBondContact CD2-O 3.3Å; L651-W653 WeakPolarHBondContact CG-O 3.09Å; L651-L679 HydrophobicContact CD2-CB 3.59Å; L651-L679 HydrophobicContact CD2-CD1 4.1Å; L651-M681 HydrophobicContact CD1-SD 4.45Å; L651-M681 HydrophobicContact CD2-CE 4.24Å; L651-M681 HydrophobicContact CD2-SD 4.43Å
652	L	69.8	Low	67.5	Low	107 Å²	107	72.6 Å²	72.6	56%	0.56	37%	0.372	S	S	*	.	S	Bend	trans	-67	-41.6	-172.6	-166.6	73.1	0	0	0	112.1	L605 H606 A650	L605-L652 WeakPolarHBondContact CA-O 3.26Å; L605-L652 HydrophobicContact CD2-CD1 3.89Å; L605-L652 HydrophobicContact CD2-CG 3.91Å; H606-L652 PolarHBondContact N-O 3.25Å; A650-L652 PolarHBondContact O-N 2.98Å
653	W	78.3	Confident	67.5	Low	35 Å²	35	74.6 Å²	74.6	13%	0.133	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.2	179.2	-52.4	109.9	0	0	0	110.5	G603 K604 L605 E612 I614 L651 I656 L679	G603-W653 VanDerWaalsContact C-CE3 3.47Å; G603-W653 WeakPolarHBondContact O-CZ3 3.46Å; K604-W653 CarbonylContact O-C 3.52Å; K604-W653 WeakPolarHBondContact O-CA 3.22Å; L605-W653 HydrophobicContact CD1-CE3 4.19Å; L605-W653 HydrophobicContact CD1-CH2 3.97Å; L605-W653 HydrophobicContact CD1-CZ3 3.46Å; L605-W653 VanDerWaalsContact CD1-CZ3 3.46Å; L605-W653 HydrophobicContact CG-CE3 3.89Å; L605-W653 HydrophobicContact CG-CH2 4.31Å; L605-W653 HydrophobicContact CG-CZ3 3.67Å; E612-W653 HydrophobicContact CB-CH2 4Å; E612-W653 HydrophobicContact CB-CZ3 4.07Å; I614-W653 HydrophobicContact CD1-CD2 4.39Å; I614-W653 HydrophobicContact CG1-CH2 4.42Å; I614-W653 HydrophobicContact CG1-CZ2 4.12Å; L651-W653 WeakPolarHBondContact CD2-O 3.3Å; L651-W653 WeakPolarHBondContact CG-O 3.09Å; W653-I656 HydrophobicContact CB-CG1 4.46Å; W653-L679 HydrophobicContact CB-CD1 3.97Å
654	T	80.1	Confident	67.8	Low	41 Å²	41	77.2 Å²	77.2	25%	0.252	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-31.6	171.8	43.2	0	0	0	0	112.8	K604 H606 N678 L679	K604-T654 PolarHBondContact O-N 3.43Å; K604-T654 PolarHBondContact O-OG1 2.84Å; H606-T654 HydrophobicContact CB-CG2 4Å; H606-T654 WeakPolarHBondContact ND1-CG2 3.34Å; T654-N678 WeakPolarHBondContact O-CA 3.44Å; T654-L679 PolarHBondContact O-N 3.32Å
655	E	85.7	Confident	68.2	Low	26 Å²	26	76.7 Å²	76.7	12%	0.121	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149	177.5	-44.5	-175.1	159.9	0	0	110.2	K573 G603 K604 W611 V677	K573-E655 IonicContact NZ-OE1 2.81Å; K573-E655 PolarHBondContact NZ-OE1 3.4Å; K573-E655 IonicContact NZ-OE2 2.74Å; K573-E655 PolarHBondContact NZ-OE2 3.22Å; G603-E655 CarbonylContact C-O 3.36Å; G603-E655 WeakPolarHBondContact CA-O 3.23Å; K604-E655 HydrophobicContact CB-CB 3.87Å; K604-E655 HydrophobicContact CB-CG 4.22Å; K604-E655 HydrophobicContact CD-CG 4.06Å; K604-E655 WeakPolarHBondContact CD-OE2 3.2Å; K604-E655 PolarHBondContact N-O 2.83Å; W611-E655 HydrophobicContact CH2-CB 3.77Å; W611-E655 HydrophobicContact CZ3-CB 4.23Å; E655-V677 CarbonylContact C-O 3.53Å; E655-V677 VanDerWaalsContact CA-O 3.26Å; E655-V677 WeakPolarHBondContact CA-O 3.09Å
656	I	87.6	Confident	68.7	Low	0 Å²	0	80.2 Å²	80.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.5	175.5	-70.7	-172.6	0	0	0	110.6	L586 W601 R602 I614 I639 L641 W653 Q676 V677 L679	L586-I656 HydrophobicContact CD1-CD1 3.93Å; L586-I656 HydrophobicContact CD1-CG2 4.31Å; W601-I656 HydrophobicContact CE3-CG2 3.63Å; W601-I656 HydrophobicContact CZ3-CG2 3.65Å; R602-I656 CarbonylContact O-C 3.59Å; R602-I656 WeakPolarHBondContact O-CA 3.32Å; I614-I656 HydrophobicContact CD1-CD1 3.74Å; I614-I656 HydrophobicContact CD1-CG1 3.97Å; I614-I656 HydrophobicContact CD1-CG2 4.48Å; I639-I656 HydrophobicContact CD1-CD1 3.86Å; I639-I656 HydrophobicContact CD1-CG2 4.01Å; L641-I656 HydrophobicContact CD2-CD1 3.46Å; L641-I656 VanDerWaalsContact CD2-CD1 3.46Å; L641-I656 HydrophobicContact CG-CD1 4.47Å; W653-I656 HydrophobicContact CB-CG1 4.46Å; I656-Q676 CarbonylContact O-C 3.58Å; I656-Q676 VanDerWaalsContact O-CA 3.31Å; I656-Q676 WeakPolarHBondContact O-CA 3.39Å; I656-V677 HydrophobicContact CB-CG2 3.9Å; I656-V677 HydrophobicContact CG2-CG2 4.43Å; I656-V677 PolarHBondContact N-O 3.21Å; I656-V677 PolarHBondContact O-N 2.81Å; I656-L679 HydrophobicContact CD1-CD1 4.18Å; I656-L679 HydrophobicContact CG1-CD1 4.4Å
657	E	89.5	Confident	68.9	Low	13 Å²	13	77.8 Å²	77.8	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.7	175.3	176.6	173.1	-110.3	0	0	110.3	W601 R602 W611 S674 N675 Q676	W601-E657 CarbonylContact C-O 3.26Å; W601-E657 WeakPolarHBondContact CA-O 3.41Å; R602-E657 HydrophobicContact CB-CB 4.31Å; R602-E657 IonicContact CZ-OE2 2.67Å; R602-E657 PolarHBondContact N-O 3.18Å; R602-E657 IonicContact NE-OE2 2.76Å; R602-E657 IonicContact NH1-OE2 2.63Å; R602-E657 PolarHBondContact NH1-OE2 2.69Å; R602-E657 PolarHBondContact O-N 3.46Å; W611-E657 HydrophobicContact CE3-CB 4.07Å; W611-E657 HydrophobicContact CH2-CB 3.88Å; W611-E657 HydrophobicContact CZ3-CB 3.63Å; E657-S674 PolarHBondContact OE1-OG 3.05Å; E657-N675 WeakPolarHBondContact CA-O 3.42Å; E657-Q676 HydrophobicContact CB-CG 3.98Å; E657-Q676 HydrophobicContact CG-CG 4.04Å; E657-Q676 PolarHBondContact OE1-NE2 3.32Å
658	C	89.7	Confident	69.2	Low	0 Å²	0	77.6 Å²	77.6	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.7	159.7	-171.2	0	0	0	0	109.8	V536 I538 C588 I599 K600 W601 S674 N675	V536-C658 HydrophobicContact CG1-CB 4.34Å; I538-C658 HydrophobicContact CD1-CB 3.84Å; I538-C658 HydrophobicContact CG1-CB 3.79Å; C588-C658 HydrophobicContact CB-CB 3.72Å; C588-C658 WeakPolarHBondContact CB-SG 3.38Å; C588-C658 WeakPolarHBondContact SG-CB 3.46Å; C588-C658 CovalentContact SG-SG 2.02Å; C588-C658 PolarHBondContact SG-SG 3.39Å; I599-C658 VanDerWaalsContact CG2-SG 3.53Å; K600-C658 CarbonylContact O-C 3.42Å; K600-C658 WeakPolarHBondContact O-CA 3.41Å; W601-C658 HydrophobicContact CD2-CB 4.19Å; W601-C658 HydrophobicContact CE3-CB 3.79Å; W601-C658 HydrophobicContact CZ3-CB 3.99Å; C658-S674 CarbonylContact O-C 3.54Å; C658-S674 WeakPolarHBondContact O-CA 3.48Å; C658-S674 VanDerWaalsContact O-CB 3.24Å; C658-S674 WeakPolarHBondContact O-CB 3.49Å; C658-N675 PolarHBondContact N-O 3.17Å; C658-N675 PolarHBondContact O-N 3.2Å
659	S	87.7	Confident	69.3	Low	5 Å²	5	71 Å²	71	4%	0.035	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.3	-176.1	58	0	0	0	0	112.5	I599 K600 I673	I599-S659 CarbonylContact C-O 3.5Å; I599-S659 VanDerWaalsContact CA-O 3.3Å; I599-S659 WeakPolarHBondContact CA-O 3.47Å; K600-S659 PolarHBondContact N-O 2.88Å; K600-S659 PolarHBondContact O-N 2.92Å; K600-S659 PolarHBondContact O-OG 3.44Å; S659-I673 CarbonylContact C-O 3.51Å; S659-I673 VanDerWaalsContact CA-O 3.27Å; S659-I673 WeakPolarHBondContact CA-O 3.37Å
660	A	82.2	Confident	69.8	Low	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.4	179.9	0	0	0	0	0	113	V536 T590 V597 E598 I673	V536-A660 HydrophobicContact CG2-CB 3.38Å; T590-A660 HydrophobicContact CG2-CB 4.08Å; V597-A660 HydrophobicContact CG1-CB 3.87Å; E598-A660 CarbonylContact O-C 3.46Å; E598-A660 VanDerWaalsContact O-CA 3.25Å; E598-A660 WeakPolarHBondContact O-CA 3.3Å; A660-I673 PolarHBondContact N-O 2.89Å; A660-I673 PolarHBondContact O-N 2.65Å; A660-I673 VanDerWaalsContact O-N 3.15Å
661	L	80.9	Confident	70.2	Confident	44 Å²	44	74.7 Å²	74.7	23%	0.23	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	111.3	-170.8	-73	155.6	0	0	0	111.7	V597 E598 K600 V672	V597-L661 CarbonylContact C-O 3.52Å; V597-L661 VanDerWaalsContact CA-O 3.23Å; V597-L661 WeakPolarHBondContact CA-O 3.09Å; E598-L661 HydrophobicContact CB-CB 4.33Å; E598-L661 PolarHBondContact N-O 2.75Å; E598-L661 PolarHBondContact O-N 3.14Å; E598-L661 WeakPolarHBondContact OE2-CD1 3.46Å; K600-L661 HydrophobicContact CD-CD1 4.09Å; L661-V672 HydrophobicContact CD2-CG1 4.3Å; L661-V672 HydrophobicContact CD2-CG2 3.81Å
662	P	70.3	Confident	70.6	Confident	15 Å²	15	77.3 Å²	77.3	10%	0.097	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	141.2	179.5	-14.2	30.3	0	0	0	114.1	P533 V597 F665	P533-P662 HydrophobicContact CG-CB 4.46Å; P533-P662 HydrophobicContact CG-CG 3.79Å; V597-P662 HydrophobicContact CG2-CB 4.37Å; P662-F665 HydrophobicContact CB-CD2 4.2Å
663	S	66.1	Low	71	Confident	63 Å²	63	73.3 Å²	73.3	44%	0.441	34%	0.34	S	S	.	.	S	Bend	trans	-82.3	-28.8	-174.4	69.7	0	0	0	0	115.9	Q596	Q596-S663 PolarHBondContact N-OG 3.1Å; Q596-S663 WeakPolarHBondContact O-CB 3.28Å; Q596-S663 PolarHBondContact O-N 3.08Å; Q596-S663 PolarHBondContact O-OG 3.39Å
664	Y	61.2	Low	71.2	Confident	164 Å²	164	74.5 Å²	74.5	64%	0.643	35%	0.354	S	S	*	.	S	Bend	trans	-84.2	-16.4	-169.4	-166.5	-106.1	0	0	0	114.4
665	F	56.5	Low	71.2	Confident	94 Å²	94	74.4 Å²	74.4	41%	0.412	35%	0.352	S	S	.	.	S	Bend	trans	-75.1	131.4	176.4	-80	-84.5	0	0	0	111.3	P662 N669 R670	P662-F665 HydrophobicContact CB-CD2 4.2Å; F665-N669 HydrophobicContact CD1-CB 3.91Å; F665-R670 HydrophobicContact CB-CG 4.42Å
666	R	56.3	Low	71.2	Confident	207 Å²	207	75.3 Å²	75.3	78%	0.781	36%	0.356	S	S	*	.			trans	-53.3	148	164	-74.1	-173.4	176.2	-172.2	-0.3	109.7	E668 N669 R670	R666-E668 PolarHBondContact O-N 3.25Å; R666-E668 VanDerWaalsContact O-N 3.1Å; R666-N669 PolarHBondContact O-N 3.22Å; R666-R670 PolarHBondContact O-N 3.48Å
667	E	52.1	Low	70.9	Confident	140 Å²	140	75.3 Å²	75.3	65%	0.654	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-58.1	-35	-163.9	-48.3	-156.9	114.5	0	0	113.4	N669 R670	E667-N669 PolarHBondContact O-N 3.16Å; E667-R670 PolarHBondContact O-N 3.08Å; E667-R670 IonicContact OE1-CZ 2.98Å; E667-R670 IonicContact OE1-NH1 2.65Å; E667-R670 PolarHBondContact OE1-NH1 3.36Å; E667-R670 IonicContact OE1-NH2 2.68Å; E667-R670 PolarHBondContact OE1-NH2 3.27Å
668	E	51.4	Low	70.5	Confident	180 Å²	180	76.7 Å²	76.7	84%	0.841	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-63	-19.2	176.6	-59.9	170.1	136	0	0	114.3	R666	R666-E668 PolarHBondContact O-N 3.25Å; R666-E668 VanDerWaalsContact O-N 3.1Å
669	N	50.5	Low	70	Confident	117 Å²	117	77.3 Å²	77.3	63%	0.626	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-116.8	16.9	178.2	-82	-45.9	0	0	0	113.1	F665 R666 E667 K671	F665-N669 HydrophobicContact CD1-CB 3.91Å; R666-N669 PolarHBondContact O-N 3.22Å; E667-N669 PolarHBondContact O-N 3.16Å; N669-K671 VanDerWaalsContact C-N 3.27Å; N669-K671 PolarHBondContact O-N 3.39Å
670	R	56.8	Low	69.5	Low	116 Å²	116	79.1 Å²	79.1	44%	0.438	38%	0.375	S	S	.	.			trans	-72.7	78	173.6	-78.1	-175.2	-175.9	146.8	6.1	111.8	F665 R666 E667 V672	F665-R670 HydrophobicContact CB-CG 4.42Å; R666-R670 PolarHBondContact O-N 3.48Å; E667-R670 PolarHBondContact O-N 3.08Å; E667-R670 IonicContact OE1-CZ 2.98Å; E667-R670 IonicContact OE1-NH1 2.65Å; E667-R670 PolarHBondContact OE1-NH1 3.36Å; E667-R670 IonicContact OE1-NH2 2.68Å; E667-R670 PolarHBondContact OE1-NH2 3.27Å; R670-V672 PolarHBondContact O-N 2.78Å
671	K	62.8	Low	69.1	Low	176 Å²	176	80.8 Å²	80.8	77%	0.765	38%	0.383	S	S	*	.			trans	-68.4	110	169.7	-167.1	-179.6	-176.4	-172.4	0	109.5	N669	N669-K671 VanDerWaalsContact C-N 3.27Å; N669-K671 PolarHBondContact O-N 3.39Å
672	V	68.1	Low	68.8	Low	81 Å²	81	80.7 Å²	80.7	49%	0.491	38%	0.38	S	S	.	.			trans	-68.6	135.6	170.1	-169.3	0	0	0	0	108.5	L661 R670	L661-V672 HydrophobicContact CD2-CG1 4.3Å; L661-V672 HydrophobicContact CD2-CG2 3.81Å; R670-V672 PolarHBondContact O-N 2.78Å
673	I	77.5	Confident	69	Low	22 Å²	22	81.5 Å²	81.5	11%	0.113	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120	175.8	-50.8	168.1	0	0	0	106.5	P533 V536 S659 A660	P533-I673 HydrophobicContact CB-CD1 4.02Å; P533-I673 HydrophobicContact CG-CD1 3.8Å; P533-I673 WeakPolarHBondContact O-CD1 3.2Å; V536-I673 HydrophobicContact CB-CG2 4.23Å; V536-I673 HydrophobicContact CG2-CB 3.99Å; V536-I673 HydrophobicContact CG2-CG2 3.71Å; S659-I673 CarbonylContact C-O 3.51Å; S659-I673 VanDerWaalsContact CA-O 3.27Å; S659-I673 WeakPolarHBondContact CA-O 3.37Å; A660-I673 PolarHBondContact N-O 2.89Å; A660-I673 PolarHBondContact O-N 2.65Å; A660-I673 VanDerWaalsContact O-N 3.15Å
674	S	81.4	Confident	69.3	Low	61 Å²	61	82 Å²	82	43%	0.427	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	160.4	178.3	67.3	0	0	0	0	113	E657 C658	E657-S674 PolarHBondContact OE1-OG 3.05Å; C658-S674 CarbonylContact O-C 3.54Å; C658-S674 WeakPolarHBondContact O-CA 3.48Å; C658-S674 VanDerWaalsContact O-CB 3.24Å; C658-S674 WeakPolarHBondContact O-CB 3.49Å
675	N	82	Confident	69.7	Low	39 Å²	39	74.6 Å²	74.6	21%	0.209	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.7	179.7	-169.4	-11.6	0	0	0	108.8	V536 I538 E657 C658	V536-N675 VanDerWaalsContact O-CB 3.29Å; V536-N675 WeakPolarHBondContact O-CB 2.97Å; V536-N675 PolarHBondContact O-ND2 3.06Å; I538-N675 HydrophobicContact CD1-CB 4.42Å; I538-N675 WeakPolarHBondContact CD1-O 3.33Å; I538-N675 HydrophobicContact CG1-CB 4.48Å; E657-N675 WeakPolarHBondContact CA-O 3.42Å; C658-N675 PolarHBondContact N-O 3.17Å; C658-N675 PolarHBondContact O-N 3.2Å
676	Q	85.3	Confident	70.6	Confident	45 Å²	45	77.3 Å²	77.3	21%	0.21	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.2	-171	-64.2	-175.2	-3.1	0	0	111.6	K573 Q574 W611 I656 E657	K573-Q676 WeakPolarHBondContact CA-O 3.2Å; K573-Q676 HydrophobicContact CG-CB 4.36Å; Q574-Q676 PolarHBondContact N-O 2.04Å; W611-Q676 HydrophobicContact CH2-CG 4.43Å; I656-Q676 CarbonylContact O-C 3.58Å; I656-Q676 VanDerWaalsContact O-CA 3.31Å; I656-Q676 WeakPolarHBondContact O-CA 3.39Å; E657-Q676 HydrophobicContact CB-CG 3.98Å; E657-Q676 HydrophobicContact CG-CG 4.04Å; E657-Q676 PolarHBondContact OE1-NE2 3.32Å
677	V	81.6	Confident	71.8	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.5	178.9	-59.6	0	0	0	0	111.5	I538 Q574 L576 E655 I656	I538-V677 HydrophobicContact CB-CG1 3.99Å; I538-V677 HydrophobicContact CD1-CG1 4.08Å; I538-V677 HydrophobicContact CD1-CG2 4.33Å; I538-V677 HydrophobicContact CG2-CG1 3.94Å; I538-V677 HydrophobicContact CG2-CG2 4.24Å; Q574-V677 HydrophobicContact CB-CG1 4.1Å; Q574-V677 CarbonylContact O-C 3.47Å; Q574-V677 WeakPolarHBondContact O-CA 3.09Å; Q574-V677 WeakPolarHBondContact O-CB 3.36Å; L576-V677 HydrophobicContact CB-CB 4.44Å; E655-V677 CarbonylContact C-O 3.53Å; E655-V677 VanDerWaalsContact CA-O 3.26Å; E655-V677 WeakPolarHBondContact CA-O 3.09Å; I656-V677 HydrophobicContact CB-CG2 3.9Å; I656-V677 HydrophobicContact CG2-CG2 4.43Å; I656-V677 PolarHBondContact N-O 3.21Å; I656-V677 PolarHBondContact O-N 2.81Å
678	N	81.3	Confident	73.2	Confident	42 Å²	42	66.1 Å²	66.1	23%	0.225	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	145.6	170.6	-76.4	12	0	0	0	109.8	K573 Q574 L576 T654	K573-N678 VanDerWaalsContact CB-OD1 3.25Å; K573-N678 WeakPolarHBondContact CB-OD1 3.42Å; K573-N678 WeakPolarHBondContact CD-OD1 3.2Å; Q574-N678 PolarHBondContact O-N 2.87Å; L576-N678 WeakPolarHBondContact CB-O 3.34Å; L576-N678 PolarHBondContact N-O 3.11Å; T654-N678 WeakPolarHBondContact O-CA 3.44Å
679	L	78.5	Confident	74.8	Confident	12 Å²	12	62.9 Å²	62.9	6%	0.063	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.9	-176.4	-55.8	177.1	0	0	0	112.7	L576 I578 L641 L651 W653 T654 I656	L576-L679 HydrophobicContact CB-CD2 4.14Å; L576-L679 HydrophobicContact CD2-CD2 3.99Å; I578-L679 HydrophobicContact CD1-CB 4.3Å; L641-L679 HydrophobicContact CD1-CD1 4.32Å; L641-L679 HydrophobicContact CD1-CD2 4.13Å; L641-L679 HydrophobicContact CD2-CD1 3.7Å; L651-L679 HydrophobicContact CD2-CB 3.59Å; L651-L679 HydrophobicContact CD2-CD1 4.1Å; W653-L679 HydrophobicContact CB-CD1 3.97Å; T654-L679 PolarHBondContact O-N 3.32Å; I656-L679 HydrophobicContact CD1-CD1 4.18Å; I656-L679 HydrophobicContact CG1-CD1 4.4Å
680	E	77.3	Confident	76.4	Confident	44 Å²	44	58.8 Å²	58.8	21%	0.206	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	175.1	175.4	-71.5	176.2	-152.4	0	0	109	K575 L576 Y577 I578	K575-E680 WeakPolarHBondContact CD-OE1 3.31Å; K575-E680 WeakPolarHBondContact CE-OE1 3.39Å; K575-E680 IonicContact NZ-OE1 3.53Å; K575-E680 PolarHBondContact NZ-OE1 2.81Å; K575-E680 IonicContact NZ-OE2 3.26Å; K575-E680 PolarHBondContact NZ-OE2 3.05Å; L576-E680 PolarHBondContact O-N 2.87Å; Y577-E680 CarbonylContact C-O 3.44Å; Y577-E680 VanDerWaalsContact CA-O 3.28Å; Y577-E680 WeakPolarHBondContact CA-O 3.23Å; Y577-E680 HydrophobicContact CD1-CB 3.49Å; Y577-E680 VanDerWaalsContact CD1-CB 3.49Å; Y577-E680 HydrophobicContact CE1-CB 3.51Å; Y577-E680 HydrophobicContact CE1-CG 4.4Å; Y577-E680 WeakPolarHBondContact CE1-OE2 3.33Å; I578-E680 WeakPolarHBondContact CG1-O 3.18Å; I578-E680 PolarHBondContact N-O 2.96Å
681	M	73	Confident	77.7	Confident	35 Å²	35	57.4 Å²	57.4	17%	0.172	29%	0.29	C	S	.	.			trans	-123.1	-136.4	-163.6	-71.2	141.4	-80.2	0	0	116.6	I578 L580 L651 S1725 V1726	I578-M681 HydrophobicContact CD1-CG 4.32Å; I578-M681 HydrophobicContact CG1-CG 3.86Å; I578-M681 CarbonylContact O-C 3.58Å; I578-M681 WeakPolarHBondContact O-CA 3.26Å; I578-M681 VanDerWaalsContact O-CB 3.26Å; I578-M681 WeakPolarHBondContact O-CB 3.45Å; I578-M681 VanDerWaalsContact O-CG 3.25Å; I578-M681 WeakPolarHBondContact O-CG 3.46Å; L580-M681 HydrophobicContact CD1-CG 4.44Å; L580-M681 HydrophobicContact CD1-SD 3.83Å; L580-M681 HydrophobicContact CD2-CG 4.19Å; L580-M681 HydrophobicContact CD2-SD 3.72Å; L580-M681 HydrophobicContact CG-CG 3.94Å; L580-M681 HydrophobicContact CG-SD 3.78Å; L651-M681 HydrophobicContact CD1-SD 4.45Å; L651-M681 HydrophobicContact CD2-CE 4.24Å; L651-M681 HydrophobicContact CD2-SD 4.43Å; M681-S1725 WeakPolarHBondContact O-CA 3.15Å; M681-S1725 WeakPolarHBondContact O-CB 3.43Å; M681-V1726 HydrophobicContact CB-CB 3.51Å; M681-V1726 HydrophobicContact CB-CG1 3.7Å; M681-V1726 HydrophobicContact CB-CG2 3.94Å
682	Y	75.5	Confident	78.5	Confident	41 Å²	41	51.3 Å²	51.3	16%	0.161	28%	0.278	C	S	.	.			trans	-149.3	125.2	178.2	-75.1	-80	0	0	0	118.6	Y577 I578 Y579 Y780 S1725 V1726	Y577-Y682 WeakPolarHBondContact O-CE2 3.1Å; Y577-Y682 PolarHBondContact O-OH 2.83Å; I578-Y682 VanDerWaalsContact C-CD2 3.49Å; Y579-Y682 AromaticContact CD1-CD2 3.41Å; Y579-Y682 HydrophobicContact CD1-CD2 3.41Å; Y579-Y682 VanDerWaalsContact CD1-CD2 3.41Å; Y579-Y682 HydrophobicContact CD1-CE2 4.18Å; Y579-Y682 AromaticContact CD1-CG 3.72Å; Y579-Y682 HydrophobicContact CD1-CG 3.72Å; Y579-Y682 AromaticContact CD2-CD2 3.51Å; Y579-Y682 HydrophobicContact CD2-CD2 3.51Å; Y579-Y682 AromaticContact CD2-CE2 3.41Å; Y579-Y682 HydrophobicContact CD2-CE2 3.41Å; Y579-Y682 VanDerWaalsContact CD2-CE2 3.41Å; Y579-Y682 HydrophobicContact CD2-CG 4.42Å; Y579-Y682 VanDerWaalsContact CE1-CB 3.41Å; Y579-Y682 AromaticContact CE1-CD1 3.94Å; Y579-Y682 HydrophobicContact CE1-CD1 3.94Å; Y579-Y682 AromaticContact CE1-CD2 3.4Å; Y579-Y682 HydrophobicContact CE1-CD2 3.4Å; Y579-Y682 HydrophobicContact CE1-CE1 4.5Å; Y579-Y682 HydrophobicContact CE1-CE2 4.03Å; Y579-Y682 AromaticContact CE1-CG 3.32Å; Y579-Y682 HydrophobicContact CE1-CG 3.32Å; Y579-Y682 HydrophobicContact CE2-CD1 4.42Å; Y579-Y682 AromaticContact CE2-CD2 3.49Å; Y579-Y682 HydrophobicContact CE2-CD2 3.49Å; Y579-Y682 VanDerWaalsContact CE2-CD2 3.49Å; Y579-Y682 HydrophobicContact CE2-CE1 4.21Å; Y579-Y682 AromaticContact CE2-CE2 3.21Å; Y579-Y682 HydrophobicContact CE2-CE2 3.21Å; Y579-Y682 HydrophobicContact CE2-CG 4.09Å; Y579-Y682 AromaticContact CE2-CZ 3.61Å; Y579-Y682 AromaticContact CG-CD2 3.47Å; Y579-Y682 HydrophobicContact CG-CD2 3.47Å; Y579-Y682 VanDerWaalsContact CG-CD2 3.47Å; Y579-Y682 AromaticContact CG-CE2 3.89Å; Y579-Y682 HydrophobicContact CG-CE2 3.89Å; Y579-Y682 HydrophobicContact CG-CG 4.25Å; Y579-Y682 AromaticContact CZ-CD1 3.76Å; Y579-Y682 AromaticContact CZ-CD2 3.43Å; Y579-Y682 VanDerWaalsContact CZ-CD2 3.43Å; Y579-Y682 AromaticContact CZ-CE1 3.88Å; Y579-Y682 AromaticContact CZ-CE2 3.55Å; Y579-Y682 AromaticContact CZ-CG 3.52Å; Y579-Y682 AromaticContact CZ-CZ 3.77Å; Y682-Y780 PolarHBondContact O-OH 2.97Å; Y682-S1725 CarbonylContact C-O 3.5Å; Y682-V1726 VanDerWaalsContact C-CA 3.45Å; Y682-V1726 VanDerWaalsContact N-CB 3.27Å; Y682-V1726 WeakPolarHBondContact O-CG2 3.26Å
683	T	74.1	Confident	79	Confident	32 Å²	32	49.5 Å²	49.5	20%	0.196	26%	0.262	C	S	.	.			trans	-145.9	178.6	167	50.1	0	0	0	0	113.1	N777 Y780 S1725 V1726 L1727	T683-N777 PolarHBondContact O-ND2 3.18Å; T683-Y780 VanDerWaalsContact CA-CE2 3.49Å; T683-Y780 VanDerWaalsContact O-CD2 3.26Å; T683-Y780 WeakPolarHBondContact O-CD2 3.37Å; T683-Y780 WeakPolarHBondContact O-CE2 3.19Å; T683-S1725 WeakPolarHBondContact CA-O 3.19Å; T683-S1725 PolarHBondContact N-O 2.82Å; T683-S1725 PolarHBondContact OG1-O 2.89Å; T683-V1726 HydrophobicContact CG2-CB 4.44Å; T683-V1726 HydrophobicContact CG2-CG2 3.85Å; T683-V1726 WeakPolarHBondContact OG1-CA 3.23Å; T683-L1727 PolarHBondContact OG1-N 3.24Å
684	I	71.8	Confident	78.7	Confident	74 Å²	74	56.6 Å²	56.6	38%	0.379	29%	0.292	S	S	.	.			trans	-121.9	153.4	-162.6	-168.4	170.1	0	0	0	112.8	Y780 D784	I684-Y780 HydrophobicContact CB-CD2 3.94Å; I684-Y780 HydrophobicContact CB-CE2 4.49Å; I684-Y780 HydrophobicContact CB-CG 4.08Å; I684-Y780 HydrophobicContact CD1-CG 4.24Å; I684-Y780 HydrophobicContact CG1-CD2 4.48Å; I684-Y780 HydrophobicContact CG1-CG 4.22Å; I684-D784 HydrophobicContact CD1-CB 4.13Å
685	P	69.7	Low	78	Confident	9 Å²	9	62 Å²	62	6%	0.058	31%	0.31	C	S	.	.			trans	-78.3	-175.9	174.2	-14	31.1	0	0	0	115.6	N777 Q786	P685-N777 HydrophobicContact CG-CB 3.98Å; P685-Q786 PolarHBondContact O-NE2 3.08Å
686	R	75.9	Confident	77.4	Confident	150 Å²	150	63.7 Å²	63.7	57%	0.566	34%	0.337	S	S	*	.			trans	-117	156.1	171.8	-55.9	-165.6	-177	156.2	-4.6	114.5	E712 T775	R686-E712 HydrophobicContact CB-CB 4.13Å; R686-E712 WeakPolarHBondContact CD-OE2 3.24Å; R686-E712 HydrophobicContact CG-CB 4.33Å; R686-E712 IonicContact CZ-OE1 3.18Å; R686-E712 IonicContact CZ-OE2 3.83Å; R686-E712 IonicContact NE-OE1 3.15Å; R686-E712 IonicContact NE-OE2 2.67Å; R686-E712 PolarHBondContact NE-OE2 3.39Å; R686-E712 VanDerWaalsContact NE-OE2 3.15Å; R686-E712 VanDerWaalsContact NH1-CD 3.3Å; R686-E712 IonicContact NH1-OE1 2.68Å; R686-E712 PolarHBondContact NH1-OE1 3.45Å; R686-E712 IonicContact NH1-OE2 3.12Å; R686-E712 PolarHBondContact NH1-OE2 2.31Å; R686-E712 VanDerWaalsContact NH1-OE2 3.12Å; R686-T775 WeakPolarHBondContact O-CG2 3.36Å; R686-T775 PolarHBondContact O-OG1 2.71Å
687	I	80.7	Confident	76.7	Confident	108 Å²	108	64.1 Å²	64.1	55%	0.554	34%	0.343	S	S	*	.			trans	-43.7	136.3	175.9	-34.7	178.5	0	0	0	114.8	Q786 F787	I687-Q786 HydrophobicContact CB-CB 4.28Å; I687-Q786 HydrophobicContact CG1-CB 4.03Å; I687-Q786 HydrophobicContact CG1-CG 4.33Å; I687-Q786 HydrophobicContact CG2-CB 4.5Å; I687-F787 WeakPolarHBondContact CG2-O 2.94Å
688	P	82.8	Confident	75.9	Confident	4 Å²	4	70.1 Å²	70.1	3%	0.026	38%	0.375	C	S	.	.			trans	-100.6	171.9	174.6	38.5	-34.5	0	0	0	116	T710 L720 T775 Q786 S788	P688-T710 CarbonylContact C-O 3.51Å; P688-T710 WeakPolarHBondContact CA-O 2.99Å; P688-T710 WeakPolarHBondContact CB-O 3.49Å; P688-L720 HydrophobicContact CB-CD2 3.58Å; P688-L720 HydrophobicContact CG-CD2 4.02Å; P688-T775 HydrophobicContact CB-CG2 4.21Å; P688-T775 HydrophobicContact CG-CG2 4.07Å; P688-Q786 WeakPolarHBondContact CD-O 3.28Å; P688-S788 WeakPolarHBondContact O-CB 3.3Å
689	I	84.3	Confident	75.5	Confident	113 Å²	113	70.2 Å²	70.2	58%	0.579	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.6	-172.8	-58.3	170.3	0	0	0	110.9	C709 T710	I689-C709 CarbonylContact O-C 3.55Å; I689-C709 WeakPolarHBondContact O-CA 3.09Å; I689-C709 PolarHBondContact O-SG 2.55Å; I689-C709 VanDerWaalsContact O-SG 3.4Å; I689-T710 PolarHBondContact N-O 3.31Å; I689-T710 PolarHBondContact O-N 3.22Å; I689-T710 VanDerWaalsContact O-N 3.08Å
690	I	84.5	Confident	74.7	Confident	30 Å²	30	72.2 Å²	72.2	15%	0.154	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.5	174.5	-71.5	171	0	0	0	112.6	H708 C709 W722 C773 S788 V791	I690-H708 CarbonylContact C-O 3.58Å; I690-H708 VanDerWaalsContact CA-O 3.23Å; I690-H708 WeakPolarHBondContact CA-O 3.28Å; I690-C709 HydrophobicContact CG1-CB 4.15Å; I690-W722 HydrophobicContact CD1-CE3 4.02Å; I690-W722 HydrophobicContact CD1-CH2 4.24Å; I690-W722 HydrophobicContact CD1-CZ3 3.51Å; I690-W722 HydrophobicContact CG1-CH2 3.97Å; I690-W722 HydrophobicContact CG1-CZ3 3.77Å; I690-W722 HydrophobicContact CG2-CH2 4.15Å; I690-W722 HydrophobicContact CG2-CZ3 4.13Å; I690-C773 HydrophobicContact CD1-CB 3.74Å; I690-C773 HydrophobicContact CG1-CB 3.81Å; I690-S788 WeakPolarHBondContact CD1-OG 3.48Å; I690-V791 HydrophobicContact CG2-CG2 3.98Å
691	T	84.3	Confident	74	Confident	87 Å²	87	74 Å²	74	53%	0.534	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.3	166.6	58.7	0	0	0	0	112.3	L707 H708	T691-L707 CarbonylContact O-C 3.58Å; T691-L707 WeakPolarHBondContact O-CA 3.47Å; T691-H708 PolarHBondContact N-O 2.76Å; T691-H708 PolarHBondContact O-N 2.9Å
692	G	78.2	Confident	73.8	Confident	49 Å²	49	75 Å²	75	51%	0.505	42%	0.424	S	S	.	.	S	Bend	trans	139.5	-20.4	164.2	0	0	0	0	0	117.8	T706	G692-T706 CarbonylContact C-O 3.56Å; G692-T706 WeakPolarHBondContact CA-O 3.36Å
693	Y	78.4	Confident	73.7	Confident	43 Å²	43	75.1 Å²	75.1	17%	0.169	43%	0.428	C	S	.	.			trans	-128.3	164.8	-173.8	173	-103.5	0	0	0	113.2	T697 L699 L705 V791 E792 I793	Y693-T697 VanDerWaalsContact CE2-OG1 3.28Å; Y693-T697 WeakPolarHBondContact CE2-OG1 3.18Å; Y693-T697 PolarHBondContact OH-N 3.04Å; Y693-T697 PolarHBondContact OH-OG1 2.98Å; Y693-L699 HydrophobicContact CE2-CD1 4.28Å; Y693-L705 HydrophobicContact CD2-CD1 3.79Å; Y693-L705 HydrophobicContact CD2-CD2 4.21Å; Y693-L705 HydrophobicContact CG-CD1 4.43Å; Y693-V791 HydrophobicContact CD1-CG1 3.34Å; Y693-V791 HydrophobicContact CE1-CG1 4.21Å; Y693-V791 HydrophobicContact CG-CG1 3.9Å; Y693-E792 WeakPolarHBondContact CE1-O 3.48Å; Y693-E792 PolarHBondContact OH-O 2.85Å; Y693-I793 HydrophobicContact CD1-CD1 3.98Å; Y693-I793 HydrophobicContact CD2-CD1 3.72Å; Y693-I793 HydrophobicContact CE1-CD1 3.79Å; Y693-I793 HydrophobicContact CE2-CD1 3.59Å; Y693-I793 HydrophobicContact CE2-CG2 4.3Å; Y693-I793 HydrophobicContact CG-CD1 3.9Å
694	K	72	Confident	73.8	Confident	170 Å²	170	79.2 Å²	79.2	74%	0.739	45%	0.448	S	S	*	.			trans	-122.6	119.1	172.2	-75	-172.2	176.6	-176.6	0	111.4	T697	K694-T697 PolarHBondContact O-OG1 3.19Å
695	E	67.8	Low	74.2	Confident	174 Å²	174	76.5 Å²	76.5	81%	0.813	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	136.9	-177.4	-157.3	167.5	-156.7	0	0	113.7
696	G	68.4	Low	74.8	Confident	75 Å²	75	78.4 Å²	78.4	77%	0.773	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	14.8	173.3	0	0	0	0	0	117.3
697	T	70	Confident	75.2	Confident	54 Å²	54	71.2 Å²	71.2	33%	0.331	42%	0.419	S	S	.	.			trans	-93.1	118.9	-179.4	50.5	0	0	0	0	113.3	Y693 K694 L699	Y693-T697 VanDerWaalsContact CE2-OG1 3.28Å; Y693-T697 WeakPolarHBondContact CE2-OG1 3.18Å; Y693-T697 PolarHBondContact OH-N 3.04Å; Y693-T697 PolarHBondContact OH-OG1 2.98Å; K694-T697 PolarHBondContact O-OG1 3.19Å; T697-L699 PolarHBondContact O-N 2.87Å
698	L	65.8	Low	75.4	Confident	127 Å²	127	69.8 Å²	69.8	67%	0.665	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-75.9	102.9	162.8	-67.5	177.2	0	0	0	108.2	G794	L698-G794 CarbonylContact C-O 3.34Å; L698-G794 WeakPolarHBondContact CA-O 3.42Å
699	L	71.8	Confident	75.5	Confident	43 Å²	43	69.7 Å²	69.7	23%	0.225	41%	0.409	C	S	.	.			trans	-90.7	138.1	179.2	-62.3	172	0	0	0	108.9	Y693 T697 T703 L762 I793 G794	Y693-L699 HydrophobicContact CE2-CD1 4.28Å; T697-L699 PolarHBondContact O-N 2.87Å; L699-T703 HydrophobicContact CB-CG2 4.19Å; L699-T703 HydrophobicContact CD1-CG2 4.44Å; L699-T703 HydrophobicContact CD2-CG2 4.41Å; L699-L762 HydrophobicContact CB-CD1 3.85Å; L699-L762 HydrophobicContact CD1-CD1 3.36Å; L699-L762 HydrophobicContact CG-CD1 4.22Å; L699-I793 HydrophobicContact CD1-CG2 4.06Å; L699-G794 PolarHBondContact N-O 2.95Å
700	A	63.4	Low	75.5	Confident	55 Å²	55	67 Å²	67	46%	0.455	40%	0.397	S	S	.	.			trans	-67.2	154.8	-174.3	0	0	0	0	0	112	G702 T703	A700-G702 PolarHBondContact O-N 3.04Å; A700-T703 PolarHBondContact O-N 3.27Å; A700-T703 PolarHBondContact O-OG1 2.81Å
701	D	62.5	Low	75.2	Confident	81 Å²	81	65.7 Å²	65.7	43%	0.433	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	103.2	176.9	-165.8	-0.7	0	0	0	110	T763 K764 V795	D701-T763 VanDerWaalsContact OD1-C 3.28Å; D701-T763 WeakPolarHBondContact OD1-CA 3.44Å; D701-T763 WeakPolarHBondContact OD1-CB 3.5Å; D701-K764 VanDerWaalsContact CG-N 3.3Å; D701-K764 PolarHBondContact OD1-N 2.79Å; D701-K764 WeakPolarHBondContact OD2-CB 3.25Å; D701-K764 WeakPolarHBondContact OD2-CD 3.34Å; D701-K764 WeakPolarHBondContact OD2-CG 3.47Å; D701-V795 HydrophobicContact CB-CG1 3.99Å
702	G	67.6	Low	74.8	Confident	56 Å²	56	65 Å²	65	58%	0.577	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.7	33.1	-175.2	0	0	0	0	0	116.9	A700 L762	A700-G702 PolarHBondContact O-N 3.04Å; G702-L762 CarbonylContact C-O 3.49Å; G702-L762 WeakPolarHBondContact CA-O 3.45Å; G702-L762 PolarHBondContact N-O 3.44Å
703	T	73.9	Confident	74.4	Confident	43 Å²	43	65.2 Å²	65.2	26%	0.264	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128	-173.8	-54.2	0	0	0	0	113.1	L699 A700 L762	L699-T703 HydrophobicContact CB-CG2 4.19Å; L699-T703 HydrophobicContact CD1-CG2 4.44Å; L699-T703 HydrophobicContact CD2-CG2 4.41Å; A700-T703 PolarHBondContact O-N 3.27Å; A700-T703 PolarHBondContact O-OG1 2.81Å; T703-L762 PolarHBondContact N-O 3.37Å; T703-L762 WeakPolarHBondContact O-CA 3.09Å; T703-L762 WeakPolarHBondContact O-CB 3.37Å; T703-L762 WeakPolarHBondContact O-CG 3.4Å; T703-L762 PolarHBondContact O-N 3.49Å
704	I	75.2	Confident	74.1	Confident	119 Å²	119	63.4 Å²	63.4	61%	0.61	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	144.2	178.5	-62	171.3	0	0	0	111.9	N761	I704-N761 HydrophobicContact CG1-CB 4.19Å; I704-N761 VanDerWaalsContact CG1-OD1 3.29Å; I704-N761 WeakPolarHBondContact CG1-OD1 3.42Å
705	L	80.4	Confident	74.2	Confident	16 Å²	16	57.8 Å²	57.8	8%	0.084	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.6	-176.5	178.3	65.8	0	0	0	112.2	Y693 N759 I760 L762 I793	Y693-L705 HydrophobicContact CD2-CD1 3.79Å; Y693-L705 HydrophobicContact CD2-CD2 4.21Å; Y693-L705 HydrophobicContact CG-CD1 4.43Å; L705-N759 PolarHBondContact O-OD1 3Å; L705-I760 HydrophobicContact CB-CB 4.38Å; L705-I760 HydrophobicContact CD2-CD1 4.25Å; L705-I760 PolarHBondContact N-O 3.16Å; L705-I760 PolarHBondContact O-N 3.11Å; L705-L762 HydrophobicContact CB-CD1 4.35Å; L705-L762 HydrophobicContact CB-CG 4.49Å; L705-I793 HydrophobicContact CD2-CD1 3.42Å; L705-I793 VanDerWaalsContact CD2-CD1 3.42Å; L705-I793 HydrophobicContact CD2-CG1 3.97Å; L705-I793 HydrophobicContact CD2-CG2 4.34Å
706	T	82.3	Confident	74.3	Confident	49 Å²	49	50.4 Å²	50.4	30%	0.301	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143	-178.2	-55.6	0	0	0	0	111.5	G692 I757 L758 N759	G692-T706 CarbonylContact C-O 3.56Å; G692-T706 WeakPolarHBondContact CA-O 3.36Å; T706-I757 HydrophobicContact CG2-CG2 4.31Å; T706-L758 WeakPolarHBondContact CA-O 3.18Å; T706-N759 VanDerWaalsContact CB-OD1 3.31Å; T706-N759 WeakPolarHBondContact CB-OD1 3.1Å; T706-N759 VanDerWaalsContact CG2-OD1 3.31Å; T706-N759 WeakPolarHBondContact CG2-OD1 3.13Å; T706-N759 PolarHBondContact OG1-OD1 3.12Å
707	L	84.8	Confident	74.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148	178.3	-63	172.3	0	0	0	111	T691 W722 I757 L758 I760 F771 V791	T691-L707 CarbonylContact O-C 3.58Å; T691-L707 WeakPolarHBondContact O-CA 3.47Å; L707-W722 HydrophobicContact CB-CH2 3.67Å; L707-W722 HydrophobicContact CB-CZ2 4.5Å; L707-W722 HydrophobicContact CB-CZ3 4.06Å; L707-W722 HydrophobicContact CD1-CZ3 4.49Å; L707-I757 CarbonylContact O-C 3.48Å; L707-I757 WeakPolarHBondContact O-CA 3.45Å; L707-I757 WeakPolarHBondContact O-CG2 3.44Å; L707-L758 HydrophobicContact CB-CB 4.26Å; L707-L758 HydrophobicContact CB-CD2 4.39Å; L707-L758 HydrophobicContact CD1-CD2 3.97Å; L707-L758 PolarHBondContact N-O 3.49Å; L707-L758 PolarHBondContact O-N 3.3Å; L707-I760 HydrophobicContact CD1-CD1 4.24Å; L707-F771 HydrophobicContact CD1-CB 4.08Å; L707-F771 HydrophobicContact CD1-CD2 3.92Å; L707-F771 HydrophobicContact CD1-CG 3.97Å; L707-V791 HydrophobicContact CD2-CG1 4.26Å
708	H	85.1	Confident	74.4	Confident	77 Å²	77	46 Å²	46	36%	0.356	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.4	-179	-50.7	-98.5	0	0	0	111.7	I690 T691 S756	I690-H708 CarbonylContact C-O 3.58Å; I690-H708 VanDerWaalsContact CA-O 3.23Å; I690-H708 WeakPolarHBondContact CA-O 3.28Å; T691-H708 PolarHBondContact N-O 2.76Å; T691-H708 PolarHBondContact O-N 2.9Å; H708-S756 CarbonylContact C-O 3.59Å; H708-S756 WeakPolarHBondContact CA-O 3.37Å
709	C	85.9	Confident	74.8	Confident	2 Å²	2	41 Å²	41	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.5	178	177.2	0	0	0	0	113.2	I689 I690 W722 Y755 S756 C773	I689-C709 CarbonylContact O-C 3.55Å; I689-C709 WeakPolarHBondContact O-CA 3.09Å; I689-C709 PolarHBondContact O-SG 2.55Å; I689-C709 VanDerWaalsContact O-SG 3.4Å; I690-C709 HydrophobicContact CG1-CB 4.15Å; C709-W722 HydrophobicContact CB-CH2 3.89Å; C709-W722 HydrophobicContact CB-CZ2 3.45Å; C709-W722 VanDerWaalsContact CB-CZ2 3.45Å; C709-Y755 WeakPolarHBondContact O-CA 2.98Å; C709-S756 PolarHBondContact N-O 2.85Å; C709-S756 PolarHBondContact O-N 3.04Å; C709-C773 HydrophobicContact CB-CB 3.85Å; C709-C773 WeakPolarHBondContact CB-SG 3.23Å; C709-C773 WeakPolarHBondContact SG-CB 2.95Å; C709-C773 CovalentContact SG-SG 2.04Å; C709-C773 PolarHBondContact SG-SG 3.5Å
710	T	83.8	Confident	75.2	Confident	56 Å²	56	39.2 Å²	39.2	34%	0.344	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.9	179.7	54.8	0	0	0	0	113.5	P688 I689 I754 Y755	P688-T710 CarbonylContact C-O 3.51Å; P688-T710 WeakPolarHBondContact CA-O 2.99Å; P688-T710 WeakPolarHBondContact CB-O 3.49Å; I689-T710 PolarHBondContact N-O 3.31Å; I689-T710 PolarHBondContact O-N 3.22Å; I689-T710 VanDerWaalsContact O-N 3.08Å; T710-I754 WeakPolarHBondContact CA-O 3.47Å; T710-Y755 HydrophobicContact CG2-CD1 4Å
711	G	77.1	Confident	75.9	Confident	3 Å²	3	37 Å²	37	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	172.7	175.8	0	0	0	0	0	114.7	M753 I754	G711-M753 VanDerWaalsContact C-CE 3.47Å; G711-M753 CarbonylContact O-C 3.54Å; G711-M753 WeakPolarHBondContact O-CA 2.97Å; G711-M753 WeakPolarHBondContact O-CE 3.48Å; G711-I754 PolarHBondContact N-O 3.43Å; G711-I754 VanDerWaalsContact O-CG1 3.25Å; G711-I754 WeakPolarHBondContact O-CG1 3.28Å; G711-I754 PolarHBondContact O-N 3.13Å
712	E	75.9	Confident	77	Confident	74 Å²	74	33.1 Å²	33.1	35%	0.346	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	151.3	-179.3	-77.5	175.2	-136.3	0	0	113.6	R686 M753	R686-E712 HydrophobicContact CB-CB 4.13Å; R686-E712 WeakPolarHBondContact CD-OE2 3.24Å; R686-E712 HydrophobicContact CG-CB 4.33Å; R686-E712 IonicContact CZ-OE1 3.18Å; R686-E712 IonicContact CZ-OE2 3.83Å; R686-E712 IonicContact NE-OE1 3.15Å; R686-E712 IonicContact NE-OE2 2.67Å; R686-E712 PolarHBondContact NE-OE2 3.39Å; R686-E712 VanDerWaalsContact NE-OE2 3.15Å; R686-E712 VanDerWaalsContact NH1-CD 3.3Å; R686-E712 IonicContact NH1-OE1 2.68Å; R686-E712 PolarHBondContact NH1-OE1 3.45Å; R686-E712 IonicContact NH1-OE2 3.12Å; R686-E712 PolarHBondContact NH1-OE2 2.31Å; R686-E712 VanDerWaalsContact NH1-OE2 3.12Å; E712-M753 HydrophobicContact CB-SD 4.23Å; E712-M753 HydrophobicContact CG-CE 4.47Å; E712-M753 HydrophobicContact CG-SD 3.44Å; E712-M753 WeakPolarHBondContact CG-SD 3.48Å
713	Q	71.3	Confident	77.5	Confident	53 Å²	53	30.6 Å²	30.6	25%	0.248	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-90.9	124.8	-176.1	-177.3	158.2	99.5	0	0	114.4	P717 S746 G752	Q713-P717 VanDerWaalsContact CD-CA 3.42Å; Q713-S746 VanDerWaalsContact NE2-CB 3.29Å; Q713-S746 PolarHBondContact NE2-OG 2.86Å; Q713-S746 PolarHBondContact OE1-OG 2.76Å; Q713-G752 WeakPolarHBondContact CB-O 3.46Å; Q713-G752 PolarHBondContact N-O 3.47Å
714	G	72.5	Confident	77.7	Confident	4 Å²	4	31 Å²	31	4%	0.041	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-77.4	155.4	161.3	0	0	0	0	0	111.6	P716	G714-P716 CarbonylContact O-C 3.57Å; G714-P716 VanDerWaalsContact O-O 3.06Å
715	N	74.1	Confident	77.3	Confident	52 Å²	52	25.9 Å²	25.9	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	146.3	176	-173.4	-2.8	0	0	0	110.5	N777 S1724 S1725 V1726	N715-N777 PolarHBondContact O-ND2 3.11Å; N715-N777 VanDerWaalsContact O-ND2 3.14Å; N715-S1724 CarbonylContact O-C 3.12Å; N715-S1725 VanDerWaalsContact C-N 3.35Å; N715-S1725 CarbonylContact C-O 3.58Å; N715-S1725 WeakPolarHBondContact CB-O 3.35Å; N715-S1725 PolarHBondContact ND2-OG 3.29Å; N715-S1725 CarbonylContact O-C 3.3Å; N715-S1725 PolarHBondContact O-N 3Å; N715-S1725 PolarHBondContact OD1-OG 2.86Å; N715-V1726 PolarHBondContact ND2-O 2.71Å
716	P	69	Low	76.1	Confident	19 Å²	19	27.4 Å²	27.4	12%	0.123	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	cis	-60.2	161.7	-46.2	1.4	2.8	0	0	0	111.9	Y577 G714 G718 P1723 S1725	Y577-P716 HydrophobicContact CE1-CG 4.28Å; Y577-P716 HydrophobicContact CE2-CG 4.46Å; Y577-P716 WeakPolarHBondContact OH-CG 3.21Å; G714-P716 CarbonylContact O-C 3.57Å; G714-P716 VanDerWaalsContact O-O 3.06Å; P716-G718 PolarHBondContact O-N 3.21Å; P716-P1723 HydrophobicContact CB-CB 3.81Å; P716-P1723 HydrophobicContact CB-CG 4.24Å; P716-P1723 HydrophobicContact CG-CB 3.9Å; P716-P1723 WeakPolarHBondContact O-CB 3.36Å; P716-P1723 VanDerWaalsContact O-CD 3.28Å; P716-P1723 WeakPolarHBondContact O-CD 3.49Å; P716-P1723 VanDerWaalsContact O-CG 3.23Å; P716-P1723 WeakPolarHBondContact O-CG 3.34Å; P716-S1725 VanDerWaalsContact CD-CB 3.49Å
717	P	69.7	Low	74.7	Confident	38 Å²	38	30 Å²	30	25%	0.247	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-12.6	69.3	177.7	-36.4	20.7	0	0	0	124.3	Q713 P1723	Q713-P717 VanDerWaalsContact CD-CA 3.42Å; P717-P1723 HydrophobicContact CB-CG 4.13Å; P717-P1723 WeakPolarHBondContact O-CD 3.4Å; P717-P1723 WeakPolarHBondContact O-CG 3.33Å
718	G	69.9	Low	72.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.			trans	-54	158.6	168.4	0	0	0	0	0	114.6	P716 I754 V776	P716-G718 PolarHBondContact O-N 3.21Å; G718-I754 WeakPolarHBondContact O-CD1 3.36Å; G718-V776 CarbonylContact C-O 3.05Å; G718-V776 WeakPolarHBondContact CA-O 3.45Å
719	K	74.8	Confident	71.3	Confident	22 Å²	22	29.3 Å²	29.3	10%	0.096	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	158.6	-176.6	84	170.6	-167.7	170.9	0	114.5	V721 E737 T775 V776 S1720	K719-V721 HydrophobicContact CG-CG1 4.49Å; K719-E737 IonicContact NZ-OE1 2.69Å; K719-E737 PolarHBondContact NZ-OE1 3.34Å; K719-T775 WeakPolarHBondContact O-CA 3.29Å; K719-V776 HydrophobicContact CG-CG2 3.85Å; K719-V776 PolarHBondContact N-O 3.47Å; K719-V776 PolarHBondContact O-N 3.38Å; K719-V776 VanDerWaalsContact O-N 3.13Å; K719-S1720 WeakPolarHBondContact CE-O 3.44Å; K719-S1720 PolarHBondContact NZ-O 3Å
720	L	80	Confident	69.5	Low	4 Å²	4	34.4 Å²	34.4	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.4	169.2	-74.6	175.1	0	0	0	111	P688 Q743 I754 G774 T775	P688-L720 HydrophobicContact CB-CD2 3.58Å; P688-L720 HydrophobicContact CG-CD2 4.02Å; L720-Q743 PolarHBondContact O-OE1 2.87Å; L720-I754 HydrophobicContact CD1-CB 4.44Å; L720-I754 HydrophobicContact CD1-CG1 4.27Å; L720-I754 WeakPolarHBondContact CD1-O 3.38Å; L720-I754 HydrophobicContact CD2-CD1 4.28Å; L720-I754 HydrophobicContact CD2-CG1 4.41Å; L720-I754 HydrophobicContact CG-CB 4.34Å; L720-I754 HydrophobicContact CG-CD1 3.89Å; L720-I754 HydrophobicContact CG-CG1 3.88Å; L720-G774 CarbonylContact C-O 3.57Å; L720-G774 VanDerWaalsContact CA-O 3.29Å; L720-G774 WeakPolarHBondContact CA-O 3.4Å; L720-T775 HydrophobicContact CD2-CG2 3.52Å
721	V	79.4	Confident	68	Low	8 Å²	8	38.4 Å²	38.4	5%	0.048	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.3	174.1	-72.9	0	0	0	0	110.2	K719 L734 C773 G774	K719-V721 HydrophobicContact CG-CG1 4.49Å; V721-L734 HydrophobicContact CB-CD2 3.96Å; V721-L734 HydrophobicContact CG1-CD2 4.04Å; V721-C773 CarbonylContact O-C 3.57Å; V721-C773 WeakPolarHBondContact O-CA 3.19Å; V721-G774 WeakPolarHBondContact CG2-O 3.45Å; V721-G774 PolarHBondContact N-O 3.38Å; V721-G774 PolarHBondContact O-N 3.11Å
722	W	84.1	Confident	67.2	Low	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	155.9	167.7	-69.6	85.3	0	0	0	110.6	I690 L707 C709 L734 I735 I740 S756 L758 R772 C773	I690-W722 HydrophobicContact CD1-CE3 4.02Å; I690-W722 HydrophobicContact CD1-CH2 4.24Å; I690-W722 HydrophobicContact CD1-CZ3 3.51Å; I690-W722 HydrophobicContact CG1-CH2 3.97Å; I690-W722 HydrophobicContact CG1-CZ3 3.77Å; I690-W722 HydrophobicContact CG2-CH2 4.15Å; I690-W722 HydrophobicContact CG2-CZ3 4.13Å; L707-W722 HydrophobicContact CB-CH2 3.67Å; L707-W722 HydrophobicContact CB-CZ2 4.5Å; L707-W722 HydrophobicContact CB-CZ3 4.06Å; L707-W722 HydrophobicContact CD1-CZ3 4.49Å; C709-W722 HydrophobicContact CB-CH2 3.89Å; C709-W722 HydrophobicContact CB-CZ2 3.45Å; C709-W722 VanDerWaalsContact CB-CZ2 3.45Å; W722-L734 WeakPolarHBondContact O-CA 3.27Å; W722-L734 WeakPolarHBondContact O-CD2 3.45Å; W722-I735 HydrophobicContact CB-CB 4.06Å; W722-I735 HydrophobicContact CB-CD1 3.47Å; W722-I735 VanDerWaalsContact CB-CD1 3.47Å; W722-I735 HydrophobicContact CB-CG1 3.7Å; W722-I735 HydrophobicContact CG-CD1 4.21Å; W722-I735 PolarHBondContact O-N 2.84Å; W722-I740 HydrophobicContact CG-CD1 4.47Å; W722-S756 VanDerWaalsContact CD1-OG 3.23Å; W722-S756 VanDerWaalsContact NE1-CB 3.32Å; W722-S756 PolarHBondContact NE1-OG 3.09Å; W722-L758 HydrophobicContact CD2-CB 4.47Å; W722-L758 HydrophobicContact CD2-CD2 4.17Å; W722-L758 HydrophobicContact CE3-CD2 3.9Å; W722-L758 HydrophobicContact CH2-CB 4.47Å; W722-L758 HydrophobicContact CZ2-CB 4.11Å; W722-L758 HydrophobicContact CZ3-CD2 4.13Å; W722-R772 CarbonylContact C-O 3.33Å; W722-R772 VanDerWaalsContact CA-O 3.27Å; W722-R772 WeakPolarHBondContact CA-O 3.13Å; W722-R772 VanDerWaalsContact CE3-O 3.32Å; W722-C773 HydrophobicContact CD2-CB 4.35Å; W722-C773 HydrophobicContact CE3-CB 4.31Å
723	T	79.4	Confident	66.5	Low	3 Å²	3	40 Å²	40	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.6	164.9	72.1	0	0	0	0	111.8	S732 E733 I735 F771 R772	T723-S732 VanDerWaalsContact CB-OG 3.22Å; T723-S732 WeakPolarHBondContact CB-OG 3.01Å; T723-S732 WeakPolarHBondContact OG1-CB 3.36Å; T723-S732 PolarHBondContact OG1-OG 2.82Å; T723-E733 CarbonylContact C-O 3.56Å; T723-E733 WeakPolarHBondContact CA-O 3.31Å; T723-E733 VanDerWaalsContact CB-O 3.23Å; T723-E733 WeakPolarHBondContact CB-O 3.41Å; T723-I735 VanDerWaalsContact C-CG1 3.48Å; T723-F771 CarbonylContact O-C 3.25Å; T723-F771 WeakPolarHBondContact O-CA 3.48Å; T723-R772 PolarHBondContact N-O 2.76Å; T723-R772 PolarHBondContact O-N 2.79Å
724	Q	77.4	Confident	66.3	Low	51 Å²	51	40 Å²	40	24%	0.238	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141	172.4	173.2	173.7	-20.5	0	0	109.2	S732 E733 I735 I770 F771	Q724-S732 CarbonylContact O-C 3.53Å; Q724-S732 WeakPolarHBondContact O-CA 3.48Å; Q724-E733 PolarHBondContact N-O 3.49Å; Q724-E733 PolarHBondContact O-N 2.93Å; Q724-I735 HydrophobicContact CB-CD1 4.11Å; Q724-I735 HydrophobicContact CB-CG1 3.79Å; Q724-I770 CarbonylContact C-O 3.55Å; Q724-I770 VanDerWaalsContact CA-O 3.29Å; Q724-I770 WeakPolarHBondContact CA-O 3.43Å; Q724-I770 WeakPolarHBondContact CG-O 3.48Å; Q724-F771 HydrophobicContact CB-CD1 3.9Å; Q724-F771 HydrophobicContact CB-CE1 3.86Å; Q724-F771 HydrophobicContact CG-CD1 4.06Å; Q724-F771 HydrophobicContact CG-CE1 3.67Å; Q724-F771 HydrophobicContact CG-CZ 4.25Å; Q724-F771 VanDerWaalsContact OE1-CE1 3.31Å
725	V	67	Low	66.1	Low	12 Å²	12	40.2 Å²	40.2	7%	0.073	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.6	168.2	166.3	0	0	0	0	107.2	T729 I770	V725-T729 WeakPolarHBondContact CG1-O 3.18Å; V725-I770 HydrophobicContact CB-CB 3.81Å; V725-I770 HydrophobicContact CB-CG2 3.93Å; V725-I770 HydrophobicContact CG1-CB 4.18Å; V725-I770 HydrophobicContact CG1-CD1 4.27Å; V725-I770 HydrophobicContact CG1-CG2 4.46Å; V725-I770 PolarHBondContact N-O 2.99Å; V725-I770 WeakPolarHBondContact O-CB 3.38Å; V725-I770 PolarHBondContact O-N 3.07Å
726	L	54.7	Low	65.2	Low	48 Å²	48	42.1 Å²	42.1	25%	0.251	22%	0.222	S	C	.	.			trans	-78.5	155.4	173.3	-74.3	165.3	0	0	0	109.7	G728 T729	L726-G728 VanDerWaalsContact C-N 3.26Å; L726-G728 PolarHBondContact O-N 3.45Å; L726-T729 PolarHBondContact N-OG1 3.34Å; L726-T729 PolarHBondContact O-N 2.62Å; L726-T729 PolarHBondContact O-OG1 3.27Å
727	K	52.2	Low	64.7	Low	105 Å²	105	43.8 Å²	43.8	46%	0.457	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	78.3	-173.3	-152.7	-174.8	-149.1	162.8	0	112.2	D767 G768	K727-D767 WeakPolarHBondContact CD-O 3.4Å; K727-D767 PolarHBondContact NZ-O 3.26Å; K727-D767 IonicContact NZ-OD2 2.76Å; K727-D767 PolarHBondContact NZ-OD2 3.43Å; K727-G768 VanDerWaalsContact CB-O 3.31Å; K727-G768 WeakPolarHBondContact CB-O 3.28Å; K727-G768 WeakPolarHBondContact CG-O 3.3Å
728	G	48	Very low	63.9	Low	32 Å²	32	46.1 Å²	46.1	33%	0.33	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	145.7	-25.2	-177	0	0	0	0	0	116.3	L726 Q1873	L726-G728 VanDerWaalsContact C-N 3.26Å; L726-G728 PolarHBondContact O-N 3.45Å; G728-Q1873 CarbonylContact C-O 3.59Å; G728-Q1873 WeakPolarHBondContact CA-O 3.21Å; G728-Q1873 CarbonylContact O-C 3.57Å
729	T	52.1	Low	63.1	Low	29 Å²	29	49.9 Å²	49.9	18%	0.178	27%	0.265	C	S	.	.			trans	-82.5	142.5	-179.3	60.7	0	0	0	0	111.5	V725 L726 E731	V725-T729 WeakPolarHBondContact CG1-O 3.18Å; L726-T729 PolarHBondContact N-OG1 3.34Å; L726-T729 PolarHBondContact O-N 2.62Å; L726-T729 PolarHBondContact O-OG1 3.27Å; T729-E731 WeakPolarHBondContact CB-O 3.49Å; T729-E731 PolarHBondContact OG1-O 3.28Å
730	N	48.1	Very low	62.3	Low	109 Å²	109	49.6 Å²	49.6	58%	0.583	26%	0.264	S	S	*	.	S	Bend	trans	-86.5	-24.2	159.8	-87	-29	0	0	0	111.1	S732	N730-S732 PolarHBondContact O-N 3.37Å
731	E	51.8	Low	61.3	Low	140 Å²	140	53.8 Å²	53.8	65%	0.654	29%	0.286	S	S	*	.	S	Bend	trans	-62	118	167.1	-62.1	174.9	140.2	0	0	108.4	T729	T729-E731 WeakPolarHBondContact CB-O 3.49Å; T729-E731 PolarHBondContact OG1-O 3.28Å
732	S	59	Low	60.2	Low	1 Å²	1	57.6 Å²	57.6	1%	0.007	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-87.9	117.6	159.7	74.2	0	0	0	0	108.3	T723 Q724 N730 S1678 P1679	T723-S732 VanDerWaalsContact CB-OG 3.22Å; T723-S732 WeakPolarHBondContact CB-OG 3.01Å; T723-S732 WeakPolarHBondContact OG1-CB 3.36Å; T723-S732 PolarHBondContact OG1-OG 2.82Å; Q724-S732 CarbonylContact O-C 3.53Å; Q724-S732 WeakPolarHBondContact O-CA 3.48Å; N730-S732 PolarHBondContact O-N 3.37Å; S732-S1678 CarbonylContact O-C 3.5Å; S732-S1678 VanDerWaalsContact O-C 3.26Å; S732-S1678 VanDerWaalsContact O-O 3.11Å; S732-S1678 PolarHBondContact OG-O 3.27Å; S732-P1679 WeakPolarHBondContact OG-CD 3.07Å
733	E	62.4	Low	58.7	Low	110 Å²	110	60.3 Å²	60.3	51%	0.514	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	139.1	170.4	-64.8	-179.5	122.1	0	0	108.6	T723 Q724 I735	T723-E733 CarbonylContact C-O 3.56Å; T723-E733 WeakPolarHBondContact CA-O 3.31Å; T723-E733 VanDerWaalsContact CB-O 3.23Å; T723-E733 WeakPolarHBondContact CB-O 3.41Å; Q724-E733 PolarHBondContact N-O 3.49Å; Q724-E733 PolarHBondContact O-N 2.93Å; E733-I735 PolarHBondContact O-N 2.81Å
734	L	66.2	Low	57.4	Low	53 Å²	53	61.6 Å²	61.6	28%	0.277	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	125.5	165.5	-131.1	156.7	0	0	0	108.4	V721 W722 D736 N1677	V721-L734 HydrophobicContact CB-CD2 3.96Å; V721-L734 HydrophobicContact CG1-CD2 4.04Å; W722-L734 WeakPolarHBondContact O-CA 3.27Å; W722-L734 WeakPolarHBondContact O-CD2 3.45Å; L734-D736 PolarHBondContact O-N 3.15Å; L734-N1677 HydrophobicContact CD1-CB 3.93Å
735	I	68.8	Low	56	Low	9 Å²	9	63 Å²	63	5%	0.046	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-68.6	125.6	178.7	-48.1	-175.9	0	0	0	107.3	W722 T723 Q724 E733 E737 N739 L758 F771	W722-I735 HydrophobicContact CB-CB 4.06Å; W722-I735 HydrophobicContact CB-CD1 3.47Å; W722-I735 VanDerWaalsContact CB-CD1 3.47Å; W722-I735 HydrophobicContact CB-CG1 3.7Å; W722-I735 HydrophobicContact CG-CD1 4.21Å; W722-I735 PolarHBondContact O-N 2.84Å; T723-I735 VanDerWaalsContact C-CG1 3.48Å; Q724-I735 HydrophobicContact CB-CD1 4.11Å; Q724-I735 HydrophobicContact CB-CG1 3.79Å; E733-I735 PolarHBondContact O-N 2.81Å; I735-E737 PolarHBondContact O-N 2.81Å; I735-N739 HydrophobicContact CG2-CB 4.04Å; I735-L758 HydrophobicContact CD1-CD1 4.29Å; I735-L758 HydrophobicContact CD1-CD2 3.54Å; I735-L758 HydrophobicContact CG2-CD1 4.31Å; I735-F771 HydrophobicContact CD1-CD1 3.64Å; I735-F771 HydrophobicContact CD1-CE1 4.14Å
736	D	55.9	Low	55.1	Low	92 Å²	92	63.3 Å²	63.3	49%	0.492	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-47.4	128.5	171.3	175.9	16.7	0	0	0	110.3	L734 S738 N739	L734-D736 PolarHBondContact O-N 3.15Å; D736-S738 PolarHBondContact O-N 2.78Å; D736-S738 PolarHBondContact OD1-N 2.89Å; D736-S738 VanDerWaalsContact OD2-CB 3.29Å; D736-S738 WeakPolarHBondContact OD2-CB 3.35Å; D736-S738 PolarHBondContact OD2-OG 3.37Å; D736-N739 PolarHBondContact O-N 2.78Å
737	E	57.8	Low	54.7	Low	53 Å²	53	68.9 Å²	68.9	25%	0.248	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-61.1	-15.3	-175.2	-60.3	-164.8	155.4	0	0	111.8	K719 I735 N739 I740 Q743 I1719	K719-E737 IonicContact NZ-OE1 2.69Å; K719-E737 PolarHBondContact NZ-OE1 3.34Å; I735-E737 PolarHBondContact O-N 2.81Å; E737-N739 VanDerWaalsContact C-N 3.29Å; E737-N739 PolarHBondContact O-N 2.7Å; E737-I740 HydrophobicContact CG-CD1 4.34Å; E737-I740 WeakPolarHBondContact O-CB 3.29Å; E737-I740 PolarHBondContact O-N 2.9Å; E737-Q743 PolarHBondContact OE1-NE2 2.9Å; E737-I1719 WeakPolarHBondContact OE2-CG2 3.27Å
738	S	54	Low	54.4	Low	87 Å²	87	71.6 Å²	71.6	61%	0.608	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-58.1	-30.5	170.5	75.1	0	0	0	0	115.3	D736 I740	D736-S738 PolarHBondContact O-N 2.78Å; D736-S738 PolarHBondContact OD1-N 2.89Å; D736-S738 VanDerWaalsContact OD2-CB 3.29Å; D736-S738 WeakPolarHBondContact OD2-CB 3.35Å; D736-S738 PolarHBondContact OD2-OG 3.37Å; S738-I740 VanDerWaalsContact C-N 3.33Å
739	N	51.6	Low	54.5	Low	79 Å²	79	74.6 Å²	74.6	42%	0.422	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-86.9	-7.6	177.2	-64.2	-81.1	0	0	0	112.4	I735 D736 E737 I741 L758	I735-N739 HydrophobicContact CG2-CB 4.04Å; D736-N739 PolarHBondContact O-N 2.78Å; E737-N739 VanDerWaalsContact C-N 3.29Å; E737-N739 PolarHBondContact O-N 2.7Å; N739-I741 PolarHBondContact O-N 2.9Å; N739-L758 HydrophobicContact CB-CD1 3.73Å; N739-L758 WeakPolarHBondContact O-CD1 3.24Å
740	I	58.4	Low	54.6	Low	17 Å²	17	79.3 Å²	79.3	9%	0.087	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	102.3	-177.8	-57.9	176.2	0	0	0	109.1	W722 E737 S738 Q742 Q743 S756 I757	W722-I740 HydrophobicContact CG-CD1 4.47Å; E737-I740 HydrophobicContact CG-CD1 4.34Å; E737-I740 WeakPolarHBondContact O-CB 3.29Å; E737-I740 PolarHBondContact O-N 2.9Å; S738-I740 VanDerWaalsContact C-N 3.33Å; I740-Q742 VanDerWaalsContact C-N 3.25Å; I740-Q742 WeakPolarHBondContact CG2-O 3.39Å; I740-Q742 PolarHBondContact O-N 2.86Å; I740-Q743 HydrophobicContact CG2-CB 4.19Å; I740-Q743 HydrophobicContact CG2-CG 4.19Å; I740-S756 VanDerWaalsContact CG2-OG 3.29Å; I740-S756 WeakPolarHBondContact CG2-OG 3.37Å; I740-I757 CarbonylContact C-O 3.39Å; I740-I757 WeakPolarHBondContact CA-O 3.27Å; I740-I757 WeakPolarHBondContact CG2-O 3.4Å
741	I	58.6	Low	55.2	Low	91 Å²	91	78.8 Å²	78.8	47%	0.467	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	-35	-174.4	-37.7	176.2	0	0	0	112.2	N739 I757 N759	N739-I741 PolarHBondContact O-N 2.9Å; I741-I757 HydrophobicContact CB-CB 4.42Å; I741-I757 HydrophobicContact CB-CG2 4.49Å; I741-I757 HydrophobicContact CD1-CG2 3.71Å; I741-I757 HydrophobicContact CG1-CG2 4.24Å; I741-I757 PolarHBondContact N-O 3.33Å; I741-N759 HydrophobicContact CD1-CB 3.66Å; I741-N759 HydrophobicContact CG1-CB 4.07Å
742	Q	56.4	Low	55.7	Low	89 Å²	89	73.8 Å²	73.8	42%	0.416	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	133.4	174.9	-65.9	-170.3	4.6	0	0	109.5	I740 N744 S756 I757	I740-Q742 VanDerWaalsContact C-N 3.25Å; I740-Q742 WeakPolarHBondContact CG2-O 3.39Å; I740-Q742 PolarHBondContact O-N 2.86Å; Q742-N744 PolarHBondContact OE1-ND2 2.84Å; Q742-S756 CarbonylContact O-C 3.35Å; Q742-S756 VanDerWaalsContact O-CA 3.24Å; Q742-S756 WeakPolarHBondContact O-CA 3.47Å; Q742-I757 PolarHBondContact O-N 2.89Å; Q742-I757 VanDerWaalsContact O-N 3.1Å
743	Q	52.2	Low	56.3	Low	56 Å²	56	76.2 Å²	76.2	26%	0.262	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	98.6	163.9	-133	-166.8	83.4	0	0	106.1	L720 E737 I740	L720-Q743 PolarHBondContact O-OE1 2.87Å; E737-Q743 PolarHBondContact OE1-NE2 2.9Å; I740-Q743 HydrophobicContact CG2-CB 4.19Å; I740-Q743 HydrophobicContact CG2-CG 4.19Å
744	N	52.3	Low	56.8	Low	31 Å²	31	71.2 Å²	71.2	17%	0.166	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.1	-174	-76	-60.5	0	0	0	110.7	Q742 Y749 Y755	Q742-N744 PolarHBondContact OE1-ND2 2.84Å; N744-Y749 HydrophobicContact CB-CE2 4.31Å; N744-Y755 HydrophobicContact CB-CD2 3.96Å; N744-Y755 PolarHBondContact N-O 3.02Å
745	Q	48.4	Very low	57.4	Low	80 Å²	80	70.4 Å²	70.4	37%	0.374	37%	0.372	S	S	.	.			trans	-69	155.6	161.1	-68.9	-178.7	-8	0	0	110.2	N747	Q745-N747 PolarHBondContact O-N 2.89Å
746	S	48.1	Very low	57.8	Low	19 Å²	19	70 Å²	70	13%	0.133	37%	0.37	C	S	.	.	S	Bend	trans	-60.4	-11.2	-158.7	46.9	0	0	0	0	118.1	Q713 K748 Y749	Q713-S746 VanDerWaalsContact NE2-CB 3.29Å; Q713-S746 PolarHBondContact NE2-OG 2.86Å; Q713-S746 PolarHBondContact OE1-OG 2.76Å; S746-K748 PolarHBondContact O-N 2.9Å; S746-Y749 PolarHBondContact O-N 2.72Å; S746-Y749 VanDerWaalsContact O-O 3.13Å
747	N	45.9	Very low	59.1	Low	164 Å²	164	67.5 Å²	67.5	88%	0.877	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	15	-177.5	-70.8	-20.7	0	0	0	115.7	Q745	Q745-N747 PolarHBondContact O-N 2.89Å
748	K	46.6	Very low	60.2	Low	163 Å²	163	65.1 Å²	65.1	71%	0.709	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	-4.6	-177.3	-144.1	175.2	-174.8	178.9	0	115.4	S746	S746-K748 PolarHBondContact O-N 2.9Å
749	Y	49.3	Very low	61.4	Low	95 Å²	95	64.2 Å²	64.2	37%	0.373	33%	0.334	S	S	.	.			trans	-140.3	135.6	178	-68.5	-98.1	0	0	0	109	N744 S746 D751 Y755	N744-Y749 HydrophobicContact CB-CE2 4.31Å; S746-Y749 PolarHBondContact O-N 2.72Å; S746-Y749 VanDerWaalsContact O-O 3.13Å; Y749-D751 PolarHBondContact O-N 2.8Å; Y749-Y755 WeakPolarHBondContact CB-OH 3.02Å; Y749-Y755 HydrophobicContact CD1-CE1 4.38Å; Y749-Y755 HydrophobicContact CD1-CE2 4.31Å; Y749-Y755 AromaticContact CD1-CZ 3.9Å; Y749-Y755 AromaticContact CD2-CD2 3.89Å; Y749-Y755 HydrophobicContact CD2-CD2 3.89Å; Y749-Y755 AromaticContact CD2-CE2 3.34Å; Y749-Y755 HydrophobicContact CD2-CE2 3.34Å; Y749-Y755 AromaticContact CD2-CZ 3.8Å; Y749-Y755 HydrophobicContact CE2-CD2 4.03Å; Y749-Y755 AromaticContact CE2-CE2 3.92Å; Y749-Y755 HydrophobicContact CE2-CE2 3.92Å; Y749-Y755 HydrophobicContact CG-CD2 4.47Å; Y749-Y755 HydrophobicContact CG-CE1 4.41Å; Y749-Y755 AromaticContact CG-CE2 3.57Å; Y749-Y755 HydrophobicContact CG-CE2 3.57Å; Y749-Y755 AromaticContact CG-CZ 3.54Å
750	P	53.9	Low	62.6	Low	128 Å²	128	61.3 Å²	61.3	83%	0.831	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.1	-173.4	30.8	-33.1	0	0	0	114.2	G752	P750-G752 PolarHBondContact O-N 2.89Å
751	D	61.2	Low	63.5	Low	98 Å²	98	64.5 Å²	64.5	52%	0.524	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.7	-160.5	-40	-33.8	0	0	0	114.7	Y749 M753 Y755	Y749-D751 PolarHBondContact O-N 2.8Å; D751-M753 HydrophobicContact CB-CB 4.32Å; D751-M753 HydrophobicContact CB-CG 4.03Å; D751-M753 PolarHBondContact O-N 2.86Å; D751-Y755 PolarHBondContact OD2-OH 2.69Å
752	G	63.7	Low	64.2	Low	35 Å²	35	60.3 Å²	60.3	36%	0.361	31%	0.314	S	S	.	.	S	Bend	trans	70.9	6.9	-170.2	0	0	0	0	0	114.6	Q713 P750	Q713-G752 WeakPolarHBondContact CB-O 3.46Å; Q713-G752 PolarHBondContact N-O 3.47Å; P750-G752 PolarHBondContact O-N 2.89Å
753	M	70.5	Confident	64.9	Low	52 Å²	52	58.3 Å²	58.3	26%	0.256	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	162	-179.7	-61.4	-69	-73	0	0	112.3	G711 E712 D751 Y755	G711-M753 VanDerWaalsContact C-CE 3.47Å; G711-M753 CarbonylContact O-C 3.54Å; G711-M753 WeakPolarHBondContact O-CA 2.97Å; G711-M753 WeakPolarHBondContact O-CE 3.48Å; E712-M753 HydrophobicContact CB-SD 4.23Å; E712-M753 HydrophobicContact CG-CE 4.47Å; E712-M753 HydrophobicContact CG-SD 3.44Å; E712-M753 WeakPolarHBondContact CG-SD 3.48Å; D751-M753 HydrophobicContact CB-CB 4.32Å; D751-M753 HydrophobicContact CB-CG 4.03Å; D751-M753 PolarHBondContact O-N 2.86Å; M753-Y755 HydrophobicContact CB-CE1 4.04Å; M753-Y755 HydrophobicContact CB-CE2 4.43Å; M753-Y755 WeakPolarHBondContact CB-OH 3.04Å; M753-Y755 VanDerWaalsContact O-CE2 3.22Å; M753-Y755 WeakPolarHBondContact O-CE2 3.3Å
754	I	73.5	Confident	65.5	Low	4 Å²	4	61.2 Å²	61.2	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.8	173.3	46.8	177.8	0	0	0	109.9	T710 G711 G718 L720 T775	T710-I754 WeakPolarHBondContact CA-O 3.47Å; G711-I754 PolarHBondContact N-O 3.43Å; G711-I754 VanDerWaalsContact O-CG1 3.25Å; G711-I754 WeakPolarHBondContact O-CG1 3.28Å; G711-I754 PolarHBondContact O-N 3.13Å; G718-I754 WeakPolarHBondContact O-CD1 3.36Å; L720-I754 HydrophobicContact CD1-CB 4.44Å; L720-I754 HydrophobicContact CD1-CG1 4.27Å; L720-I754 WeakPolarHBondContact CD1-O 3.38Å; L720-I754 HydrophobicContact CD2-CD1 4.28Å; L720-I754 HydrophobicContact CD2-CG1 4.41Å; L720-I754 HydrophobicContact CG-CB 4.34Å; L720-I754 HydrophobicContact CG-CD1 3.89Å; L720-I754 HydrophobicContact CG-CG1 3.88Å; I754-T775 HydrophobicContact CD1-CG2 4.24Å
755	Y	78.5	Confident	65.8	Low	37 Å²	37	64.1 Å²	64.1	15%	0.145	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145	-164.2	-36.2	-100.4	0	0	0	111.8	C709 T710 N744 Y749 D751 M753	C709-Y755 WeakPolarHBondContact O-CA 2.98Å; T710-Y755 HydrophobicContact CG2-CD1 4Å; N744-Y755 HydrophobicContact CB-CD2 3.96Å; N744-Y755 PolarHBondContact N-O 3.02Å; Y749-Y755 WeakPolarHBondContact CB-OH 3.02Å; Y749-Y755 HydrophobicContact CD1-CE1 4.38Å; Y749-Y755 HydrophobicContact CD1-CE2 4.31Å; Y749-Y755 AromaticContact CD1-CZ 3.9Å; Y749-Y755 AromaticContact CD2-CD2 3.89Å; Y749-Y755 HydrophobicContact CD2-CD2 3.89Å; Y749-Y755 AromaticContact CD2-CE2 3.34Å; Y749-Y755 HydrophobicContact CD2-CE2 3.34Å; Y749-Y755 AromaticContact CD2-CZ 3.8Å; Y749-Y755 HydrophobicContact CE2-CD2 4.03Å; Y749-Y755 AromaticContact CE2-CE2 3.92Å; Y749-Y755 HydrophobicContact CE2-CE2 3.92Å; Y749-Y755 HydrophobicContact CG-CD2 4.47Å; Y749-Y755 HydrophobicContact CG-CE1 4.41Å; Y749-Y755 AromaticContact CG-CE2 3.57Å; Y749-Y755 HydrophobicContact CG-CE2 3.57Å; Y749-Y755 AromaticContact CG-CZ 3.54Å; D751-Y755 PolarHBondContact OD2-OH 2.69Å; M753-Y755 HydrophobicContact CB-CE1 4.04Å; M753-Y755 HydrophobicContact CB-CE2 4.43Å; M753-Y755 WeakPolarHBondContact CB-OH 3.04Å; M753-Y755 VanDerWaalsContact O-CE2 3.22Å; M753-Y755 WeakPolarHBondContact O-CE2 3.3Å
756	S	77.9	Confident	66.9	Low	1 Å²	1	64.6 Å²	64.6	1%	0.007	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	145.6	177.8	-160.6	0	0	0	0	112.7	H708 C709 W722 I740 Q742	H708-S756 CarbonylContact C-O 3.59Å; H708-S756 WeakPolarHBondContact CA-O 3.37Å; C709-S756 PolarHBondContact N-O 2.85Å; C709-S756 PolarHBondContact O-N 3.04Å; W722-S756 VanDerWaalsContact CD1-OG 3.23Å; W722-S756 VanDerWaalsContact NE1-CB 3.32Å; W722-S756 PolarHBondContact NE1-OG 3.09Å; I740-S756 VanDerWaalsContact CG2-OG 3.29Å; I740-S756 WeakPolarHBondContact CG2-OG 3.37Å; Q742-S756 CarbonylContact O-C 3.35Å; Q742-S756 VanDerWaalsContact O-CA 3.24Å; Q742-S756 WeakPolarHBondContact O-CA 3.47Å
757	I	81.9	Confident	68	Low	39 Å²	39	66.9 Å²	66.9	20%	0.2	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.9	-176.5	-50.8	179.4	0	0	0	110.8	T706 L707 I740 I741 Q742	T706-I757 HydrophobicContact CG2-CG2 4.31Å; L707-I757 CarbonylContact O-C 3.48Å; L707-I757 WeakPolarHBondContact O-CA 3.45Å; L707-I757 WeakPolarHBondContact O-CG2 3.44Å; I740-I757 CarbonylContact C-O 3.39Å; I740-I757 WeakPolarHBondContact CA-O 3.27Å; I740-I757 WeakPolarHBondContact CG2-O 3.4Å; I741-I757 HydrophobicContact CB-CB 4.42Å; I741-I757 HydrophobicContact CB-CG2 4.49Å; I741-I757 HydrophobicContact CD1-CG2 3.71Å; I741-I757 HydrophobicContact CG1-CG2 4.24Å; I741-I757 PolarHBondContact N-O 3.33Å; Q742-I757 PolarHBondContact O-N 2.89Å; Q742-I757 VanDerWaalsContact O-N 3.1Å
758	L	80.8	Confident	69.1	Low	3 Å²	3	59.1 Å²	59.1	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.8	-171.5	167.9	65.1	0	0	0	111.3	T706 L707 W722 I735 N739 I760 F771	T706-L758 WeakPolarHBondContact CA-O 3.18Å; L707-L758 HydrophobicContact CB-CB 4.26Å; L707-L758 HydrophobicContact CB-CD2 4.39Å; L707-L758 HydrophobicContact CD1-CD2 3.97Å; L707-L758 PolarHBondContact N-O 3.49Å; L707-L758 PolarHBondContact O-N 3.3Å; W722-L758 HydrophobicContact CD2-CB 4.47Å; W722-L758 HydrophobicContact CD2-CD2 4.17Å; W722-L758 HydrophobicContact CE3-CD2 3.9Å; W722-L758 HydrophobicContact CH2-CB 4.47Å; W722-L758 HydrophobicContact CZ2-CB 4.11Å; W722-L758 HydrophobicContact CZ3-CD2 4.13Å; I735-L758 HydrophobicContact CD1-CD1 4.29Å; I735-L758 HydrophobicContact CD1-CD2 3.54Å; I735-L758 HydrophobicContact CG2-CD1 4.31Å; N739-L758 HydrophobicContact CB-CD1 3.73Å; N739-L758 WeakPolarHBondContact O-CD1 3.24Å; L758-I760 HydrophobicContact CG-CG1 4.48Å; L758-F771 HydrophobicContact CD2-CD1 3.83Å; L758-F771 HydrophobicContact CD2-CE1 4.22Å; L758-F771 HydrophobicContact CD2-CG 4.36Å
759	N	80.8	Confident	70.3	Confident	68 Å²	68	52 Å²	52	36%	0.364	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.3	179.4	-107.5	9.9	0	0	0	112.6	L705 T706 I741	L705-N759 PolarHBondContact O-OD1 3Å; T706-N759 VanDerWaalsContact CB-OD1 3.31Å; T706-N759 WeakPolarHBondContact CB-OD1 3.1Å; T706-N759 VanDerWaalsContact CG2-OD1 3.31Å; T706-N759 WeakPolarHBondContact CG2-OD1 3.13Å; T706-N759 PolarHBondContact OG1-OD1 3.12Å; I741-N759 HydrophobicContact CD1-CB 3.66Å; I741-N759 HydrophobicContact CG1-CB 4.07Å
760	I	75.5	Confident	71.7	Confident	17 Å²	17	49.1 Å²	49.1	9%	0.087	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.4	-173.1	-52.1	163.6	0	0	0	109.5	L705 L707 L758 L762 Y766 F771	L705-I760 HydrophobicContact CB-CB 4.38Å; L705-I760 HydrophobicContact CD2-CD1 4.25Å; L705-I760 PolarHBondContact N-O 3.16Å; L705-I760 PolarHBondContact O-N 3.11Å; L707-I760 HydrophobicContact CD1-CD1 4.24Å; L758-I760 HydrophobicContact CG-CG1 4.48Å; I760-L762 HydrophobicContact CG2-CD2 3.9Å; I760-Y766 HydrophobicContact CG2-CD1 3.7Å; I760-Y766 HydrophobicContact CG2-CE1 3.4Å; I760-Y766 VanDerWaalsContact CG2-CE1 3.4Å; I760-F771 HydrophobicContact CD1-CD2 4.29Å; I760-F771 HydrophobicContact CD1-CE1 3.98Å; I760-F771 HydrophobicContact CD1-CE2 3.55Å; I760-F771 HydrophobicContact CD1-CZ 3.37Å; I760-F771 HydrophobicContact CG1-CZ 4.39Å
761	N	78.7	Confident	73.2	Confident	84 Å²	84	43.2 Å²	43.2	45%	0.449	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	105.1	176.6	-176.7	21	0	0	0	111.7	I704 Y766	I704-N761 HydrophobicContact CG1-CB 4.19Å; I704-N761 VanDerWaalsContact CG1-OD1 3.29Å; I704-N761 WeakPolarHBondContact CG1-OD1 3.42Å; N761-Y766 VanDerWaalsContact O-CD2 3.26Å; N761-Y766 WeakPolarHBondContact O-CD2 3.43Å; N761-Y766 WeakPolarHBondContact O-CE2 3.26Å
762	L	72.7	Confident	74.4	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.5	-169.9	-47.1	169.2	0	0	0	111.9	L699 G702 T703 L705 I760 Y766 I793	L699-L762 HydrophobicContact CB-CD1 3.85Å; L699-L762 HydrophobicContact CD1-CD1 3.36Å; L699-L762 HydrophobicContact CG-CD1 4.22Å; G702-L762 CarbonylContact C-O 3.49Å; G702-L762 WeakPolarHBondContact CA-O 3.45Å; G702-L762 PolarHBondContact N-O 3.44Å; T703-L762 PolarHBondContact N-O 3.37Å; T703-L762 WeakPolarHBondContact O-CA 3.09Å; T703-L762 WeakPolarHBondContact O-CB 3.37Å; T703-L762 WeakPolarHBondContact O-CG 3.4Å; T703-L762 PolarHBondContact O-N 3.49Å; L705-L762 HydrophobicContact CB-CD1 4.35Å; L705-L762 HydrophobicContact CB-CG 4.49Å; I760-L762 HydrophobicContact CG2-CD2 3.9Å; L762-Y766 HydrophobicContact CD2-CD1 4Å; L762-Y766 HydrophobicContact CD2-CG 3.93Å; L762-I793 HydrophobicContact CD1-CG2 3.63Å; L762-I793 HydrophobicContact CD2-CG2 3.87Å; L762-I793 HydrophobicContact CG-CG2 4.42Å
763	T	69.8	Low	75.5	Confident	48 Å²	48	40.6 Å²	40.6	29%	0.294	21%	0.206	S	C	.	.	S	Bend	trans	-130.4	-175.8	166.6	77.2	0	0	0	0	107.8	D701 S765 Y766	D701-T763 VanDerWaalsContact OD1-C 3.28Å; D701-T763 WeakPolarHBondContact OD1-CA 3.44Å; D701-T763 WeakPolarHBondContact OD1-CB 3.5Å; T763-S765 PolarHBondContact O-N 3.37Å; T763-S765 PolarHBondContact OG1-N 2.94Å; T763-S765 VanDerWaalsContact OG1-N 3.12Å; T763-S765 PolarHBondContact OG1-OG 3.29Å; T763-Y766 PolarHBondContact O-N 2.97Å
764	K	66.3	Low	76.1	Confident	117 Å²	117	38.1 Å²	38.1	51%	0.509	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-5.7	169.1	68	-176.8	-177.3	-171.2	0	115.3	D701 Y797	D701-K764 VanDerWaalsContact CG-N 3.3Å; D701-K764 PolarHBondContact OD1-N 2.79Å; D701-K764 WeakPolarHBondContact OD2-CB 3.25Å; D701-K764 WeakPolarHBondContact OD2-CD 3.34Å; D701-K764 WeakPolarHBondContact OD2-CG 3.47Å; K764-Y797 HydrophobicContact CD-CE1 4Å; K764-Y797 PolarHBondContact NZ-OH 2.84Å
765	S	57.7	Low	76.4	Confident	92 Å²	92	38 Å²	38	64%	0.643	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-14.9	168.7	71.7	0	0	0	0	115.1	T763	T763-S765 PolarHBondContact O-N 3.37Å; T763-S765 PolarHBondContact OG1-N 2.94Å; T763-S765 VanDerWaalsContact OG1-N 3.12Å; T763-S765 PolarHBondContact OG1-OG 3.29Å
766	Y	72.7	Confident	76.2	Confident	89 Å²	89	37.5 Å²	37.5	35%	0.349	19%	0.194	S	C	.	.			trans	-100.3	16.6	-172.6	-81.1	-91	0	0	0	114	I760 N761 L762 T763 G768	I760-Y766 HydrophobicContact CG2-CD1 3.7Å; I760-Y766 HydrophobicContact CG2-CE1 3.4Å; I760-Y766 VanDerWaalsContact CG2-CE1 3.4Å; N761-Y766 VanDerWaalsContact O-CD2 3.26Å; N761-Y766 WeakPolarHBondContact O-CD2 3.43Å; N761-Y766 WeakPolarHBondContact O-CE2 3.26Å; L762-Y766 HydrophobicContact CD2-CD1 4Å; L762-Y766 HydrophobicContact CD2-CG 3.93Å; T763-Y766 PolarHBondContact O-N 2.97Å; Y766-G768 VanDerWaalsContact C-N 3.33Å; Y766-G768 PolarHBondContact O-N 2.8Å
767	D	70.8	Confident	76.1	Confident	67 Å²	67	37.5 Å²	37.5	36%	0.358	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	80.3	178.4	-176.9	66.2	0	0	0	112	K727 G794 V795	K727-D767 WeakPolarHBondContact CD-O 3.4Å; K727-D767 PolarHBondContact NZ-O 3.26Å; K727-D767 IonicContact NZ-OD2 2.76Å; K727-D767 PolarHBondContact NZ-OD2 3.43Å; D767-G794 VanDerWaalsContact OD1-C 3.26Å; D767-G794 WeakPolarHBondContact OD1-CA 3.2Å; D767-V795 HydrophobicContact CB-CB 4.45Å; D767-V795 HydrophobicContact CB-CG2 4.17Å; D767-V795 PolarHBondContact OD1-N 2.89Å
768	G	68.4	Low	75.5	Confident	2 Å²	2	39.1 Å²	39.1	2%	0.021	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	127.5	27	165.2	0	0	0	0	0	120	K727 Y766 I793	K727-G768 VanDerWaalsContact CB-O 3.31Å; K727-G768 WeakPolarHBondContact CB-O 3.28Å; K727-G768 WeakPolarHBondContact CG-O 3.3Å; Y766-G768 VanDerWaalsContact C-N 3.33Å; Y766-G768 PolarHBondContact O-N 2.8Å; G768-I793 WeakPolarHBondContact CA-O 3.39Å; G768-I793 PolarHBondContact N-O 2.8Å
769	A	71.7	Confident	74.8	Confident	12 Å²	12	39.4 Å²	39.4	10%	0.099	21%	0.211	C	C	.	.			trans	-82.1	148.1	179.6	0	0	0	0	0	113.4	F771 E792 I793	A769-F771 HydrophobicContact CB-CE2 3.87Å; A769-F771 HydrophobicContact CB-CZ 3.89Å; A769-E792 WeakPolarHBondContact O-CA 3.29Å; A769-I793 PolarHBondContact O-N 3.02Å
770	I	78.9	Confident	74.3	Confident	36 Å²	36	39 Å²	39	19%	0.185	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.2	-177.4	-64.2	171.1	0	0	0	112.8	Q724 V725 P790 V791 E792	Q724-I770 CarbonylContact C-O 3.55Å; Q724-I770 VanDerWaalsContact CA-O 3.29Å; Q724-I770 WeakPolarHBondContact CA-O 3.43Å; Q724-I770 WeakPolarHBondContact CG-O 3.48Å; V725-I770 HydrophobicContact CB-CB 3.81Å; V725-I770 HydrophobicContact CB-CG2 3.93Å; V725-I770 HydrophobicContact CG1-CB 4.18Å; V725-I770 HydrophobicContact CG1-CD1 4.27Å; V725-I770 HydrophobicContact CG1-CG2 4.46Å; V725-I770 PolarHBondContact N-O 2.99Å; V725-I770 WeakPolarHBondContact O-CB 3.38Å; V725-I770 PolarHBondContact O-N 3.07Å; I770-P790 HydrophobicContact CG2-CB 4.22Å; I770-V791 CarbonylContact C-O 3.57Å; I770-V791 WeakPolarHBondContact CA-O 3.34Å; I770-E792 HydrophobicContact CD1-CG 4.22Å; I770-E792 HydrophobicContact CG1-CB 3.79Å; I770-E792 HydrophobicContact CG1-CG 3.63Å
771	F	84.8	Confident	73.7	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.7	-174.8	-57.2	-82.7	0	0	0	116.1	L707 T723 Q724 I735 L758 I760 A769 P790 V791 I793	L707-F771 HydrophobicContact CD1-CB 4.08Å; L707-F771 HydrophobicContact CD1-CD2 3.92Å; L707-F771 HydrophobicContact CD1-CG 3.97Å; T723-F771 CarbonylContact O-C 3.25Å; T723-F771 WeakPolarHBondContact O-CA 3.48Å; Q724-F771 HydrophobicContact CB-CD1 3.9Å; Q724-F771 HydrophobicContact CB-CE1 3.86Å; Q724-F771 HydrophobicContact CG-CD1 4.06Å; Q724-F771 HydrophobicContact CG-CE1 3.67Å; Q724-F771 HydrophobicContact CG-CZ 4.25Å; Q724-F771 VanDerWaalsContact OE1-CE1 3.31Å; I735-F771 HydrophobicContact CD1-CD1 3.64Å; I735-F771 HydrophobicContact CD1-CE1 4.14Å; L758-F771 HydrophobicContact CD2-CD1 3.83Å; L758-F771 HydrophobicContact CD2-CE1 4.22Å; L758-F771 HydrophobicContact CD2-CG 4.36Å; I760-F771 HydrophobicContact CD1-CD2 4.29Å; I760-F771 HydrophobicContact CD1-CE1 3.98Å; I760-F771 HydrophobicContact CD1-CE2 3.55Å; I760-F771 HydrophobicContact CD1-CZ 3.37Å; I760-F771 HydrophobicContact CG1-CZ 4.39Å; A769-F771 HydrophobicContact CB-CE2 3.87Å; A769-F771 HydrophobicContact CB-CZ 3.89Å; F771-P790 CarbonylContact O-C 3.55Å; F771-P790 WeakPolarHBondContact O-CA 3.21Å; F771-V791 PolarHBondContact N-O 2.92Å; F771-V791 PolarHBondContact O-N 3.42Å; F771-I793 HydrophobicContact CE2-CG1 4.48Å
772	R	86.8	Confident	73.2	Confident	77 Å²	77	38.2 Å²	38.2	29%	0.291	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	174	177	-60.5	179.3	-172.8	157.3	4.3	113.3	W722 T723 P790	W722-R772 CarbonylContact C-O 3.33Å; W722-R772 VanDerWaalsContact CA-O 3.27Å; W722-R772 WeakPolarHBondContact CA-O 3.13Å; W722-R772 VanDerWaalsContact CE3-O 3.32Å; T723-R772 PolarHBondContact N-O 2.76Å; T723-R772 PolarHBondContact O-N 2.79Å; R772-P790 HydrophobicContact CG-CB 3.83Å
773	C	87	Confident	72.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.4	180	-171.7	0	0	0	0	113.4	I690 C709 V721 W722 F787 S788	I690-C773 HydrophobicContact CD1-CB 3.74Å; I690-C773 HydrophobicContact CG1-CB 3.81Å; C709-C773 HydrophobicContact CB-CB 3.85Å; C709-C773 WeakPolarHBondContact CB-SG 3.23Å; C709-C773 WeakPolarHBondContact SG-CB 2.95Å; C709-C773 CovalentContact SG-SG 2.04Å; C709-C773 PolarHBondContact SG-SG 3.5Å; V721-C773 CarbonylContact O-C 3.57Å; V721-C773 WeakPolarHBondContact O-CA 3.19Å; W722-C773 HydrophobicContact CD2-CB 4.35Å; W722-C773 HydrophobicContact CE3-CB 4.31Å; C773-F787 CarbonylContact O-C 3.5Å; C773-F787 WeakPolarHBondContact O-CA 3.46Å; C773-F787 WeakPolarHBondContact O-CD1 3.11Å; C773-S788 PolarHBondContact N-OG 3.11Å; C773-S788 PolarHBondContact O-N 3.37Å; C773-S788 PolarHBondContact O-OG 3.19Å
774	G	82.4	Confident	72.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	168	-177	0	0	0	0	0	116.2	L720 V721 Q786	L720-G774 CarbonylContact C-O 3.57Å; L720-G774 VanDerWaalsContact CA-O 3.29Å; L720-G774 WeakPolarHBondContact CA-O 3.4Å; V721-G774 WeakPolarHBondContact CG2-O 3.45Å; V721-G774 PolarHBondContact N-O 3.38Å; V721-G774 PolarHBondContact O-N 3.11Å; G774-Q786 CarbonylContact C-O 3.54Å; G774-Q786 WeakPolarHBondContact CA-O 3.5Å
775	T	80.8	Confident	72.8	Confident	3 Å²	3	40 Å²	40	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133	-175.5	52.9	0	0	0	0	115.1	R686 P688 K719 L720 I754 T785 Q786	R686-T775 WeakPolarHBondContact O-CG2 3.36Å; R686-T775 PolarHBondContact O-OG1 2.71Å; P688-T775 HydrophobicContact CB-CG2 4.21Å; P688-T775 HydrophobicContact CG-CG2 4.07Å; K719-T775 WeakPolarHBondContact O-CA 3.29Å; L720-T775 HydrophobicContact CD2-CG2 3.52Å; I754-T775 HydrophobicContact CD1-CG2 4.24Å; T775-T785 WeakPolarHBondContact O-CG2 2.96Å; T775-Q786 PolarHBondContact N-O 3Å
776	V	74.4	Confident	73.7	Confident	26 Å²	26	38 Å²	38	16%	0.158	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.6	-176.9	-66.1	0	0	0	0	114.8	G718 K719 Y782 T785	G718-V776 CarbonylContact C-O 3.05Å; G718-V776 WeakPolarHBondContact CA-O 3.45Å; K719-V776 HydrophobicContact CG-CG2 3.85Å; K719-V776 PolarHBondContact N-O 3.47Å; K719-V776 PolarHBondContact O-N 3.38Å; K719-V776 VanDerWaalsContact O-N 3.13Å; V776-Y782 HydrophobicContact CG1-CD2 4.17Å; V776-T785 HydrophobicContact CG1-CG2 3.86Å; V776-T785 WeakPolarHBondContact CG1-OG1 3.49Å
777	N	74.6	Confident	74.2	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-149.4	133.5	167.8	105	-15	0	0	0	111.6	T683 P685 N715 G779 Y780 P1723	T683-N777 PolarHBondContact O-ND2 3.18Å; P685-N777 HydrophobicContact CG-CB 3.98Å; N715-N777 PolarHBondContact O-ND2 3.11Å; N715-N777 VanDerWaalsContact O-ND2 3.14Å; N777-G779 PolarHBondContact O-N 3.24Å; N777-G779 WeakPolarHBondContact OD1-CA 2.86Å; N777-G779 PolarHBondContact OD1-N 3.24Å; N777-Y780 CarbonylContact O-C 3.16Å; N777-Y780 PolarHBondContact O-N 2.6Å; N777-Y780 PolarHBondContact OD1-N 3.34Å; N777-P1723 CarbonylContact C-O 3.51Å; N777-P1723 VanDerWaalsContact C-O 3.26Å; N777-P1723 VanDerWaalsContact CA-O 3.25Å; N777-P1723 WeakPolarHBondContact CA-O 3.22Å; N777-P1723 WeakPolarHBondContact CB-O 3.48Å
778	P	70.7	Confident	74.8	Confident	73 Å²	73	34.3 Å²	34.3	47%	0.474	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	14.9	174	0.7	-15.3	0	0	0	118.5	Q1722 P1723 S1724	P778-Q1722 WeakPolarHBondContact CD-O 3Å; P778-Q1722 VanDerWaalsContact CG-CA 3.48Å; P778-Q1722 HydrophobicContact CG-CB 4.46Å; P778-Q1722 HydrophobicContact CG-CG 4.32Å; P778-P1723 WeakPolarHBondContact CD-O 3.47Å; P778-S1724 WeakPolarHBondContact O-CB 3.47Å
779	G	66.1	Low	75.3	Confident	9 Å²	9	41.1 Å²	41.1	9%	0.093	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-41.2	155.7	0	0	0	0	0	110.3	Y579 N777	Y579-G779 PolarHBondContact OH-O 2.94Å; Y579-G779 VanDerWaalsContact OH-O 3.09Å; N777-G779 PolarHBondContact O-N 3.24Å; N777-G779 WeakPolarHBondContact OD1-CA 2.86Å; N777-G779 PolarHBondContact OD1-N 3.24Å
780	Y	70.4	Confident	75.7	Confident	58 Å²	58	44 Å²	44	23%	0.227	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-136.5	89	-172	-61.2	-90	0	0	0	106.6	Y682 T683 I684 N777	Y682-Y780 PolarHBondContact O-OH 2.97Å; T683-Y780 VanDerWaalsContact CA-CE2 3.49Å; T683-Y780 VanDerWaalsContact O-CD2 3.26Å; T683-Y780 WeakPolarHBondContact O-CD2 3.37Å; T683-Y780 WeakPolarHBondContact O-CE2 3.19Å; I684-Y780 HydrophobicContact CB-CD2 3.94Å; I684-Y780 HydrophobicContact CB-CE2 4.49Å; I684-Y780 HydrophobicContact CB-CG 4.08Å; I684-Y780 HydrophobicContact CD1-CG 4.24Å; I684-Y780 HydrophobicContact CG1-CD2 4.48Å; I684-Y780 HydrophobicContact CG1-CG 4.22Å; N777-Y780 CarbonylContact O-C 3.16Å; N777-Y780 PolarHBondContact O-N 2.6Å; N777-Y780 PolarHBondContact OD1-N 3.34Å
781	G	63.1	Low	75.8	Confident	29 Å²	29	43.5 Å²	43.5	30%	0.299	24%	0.243	S	C	.	.			trans	-65.5	-163.2	-165.3	0	0	0	0	0	113.9	S783 D784	G781-S783 PolarHBondContact O-N 2.91Å; G781-D784 PolarHBondContact N-OD2 3.34Å; G781-D784 PolarHBondContact O-N 3.11Å
782	Y	66.4	Low	75.5	Confident	56 Å²	56	47.4 Å²	47.4	22%	0.22	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.4	-23.3	-173.8	-173.4	-94	0	0	0	114.1	V776 D784 T785 F787 N1677 S1678 P1679	V776-Y782 HydrophobicContact CG1-CD2 4.17Å; Y782-D784 PolarHBondContact O-N 3Å; Y782-T785 VanDerWaalsContact C-OG1 3.29Å; Y782-T785 VanDerWaalsContact CA-OG1 3.23Å; Y782-T785 WeakPolarHBondContact CA-OG1 3.28Å; Y782-T785 VanDerWaalsContact CD2-OG1 3.3Å; Y782-T785 WeakPolarHBondContact CD2-OG1 3.37Å; Y782-T785 HydrophobicContact CE2-CG2 4.4Å; Y782-T785 WeakPolarHBondContact O-CB 3.04Å; Y782-T785 PolarHBondContact O-N 2.85Å; Y782-T785 PolarHBondContact O-OG1 3.46Å; Y782-F787 AromaticContact CE2-CZ 3.76Å; Y782-F787 HydrophobicContact CE2-CZ 3.76Å; Y782-F787 AromaticContact CZ-CZ 3.74Å; Y782-F787 WeakPolarHBondContact OH-CZ 3.39Å; Y782-N1677 HydrophobicContact CD1-CB 4.23Å; Y782-N1677 VanDerWaalsContact CD1-CG 3.44Å; Y782-N1677 WeakPolarHBondContact CD1-OD1 3.34Å; Y782-N1677 HydrophobicContact CD2-CB 3.74Å; Y782-N1677 VanDerWaalsContact CD2-CG 3.42Å; Y782-N1677 HydrophobicContact CE1-CB 3.97Å; Y782-N1677 VanDerWaalsContact CE1-OD1 3.23Å; Y782-N1677 WeakPolarHBondContact CE1-OD1 3.18Å; Y782-N1677 HydrophobicContact CE2-CB 3.43Å; Y782-N1677 VanDerWaalsContact CE2-CB 3.43Å; Y782-N1677 HydrophobicContact CG-CB 4.11Å; Y782-S1678 VanDerWaalsContact OH-C 3.31Å; Y782-S1678 PolarHBondContact OH-O 2.79Å; Y782-P1679 HydrophobicContact CE1-CB 4.44Å
783	S	63.2	Low	75.1	Confident	110 Å²	110	44.2 Å²	44.2	77%	0.769	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-52.3	-28.2	167.9	37.1	0	0	0	0	115	G781	G781-S783 PolarHBondContact O-N 2.91Å
784	D	70.3	Confident	74.3	Confident	71 Å²	71	44.5 Å²	44.5	38%	0.38	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-114.4	11.2	-169.7	-50.1	-87.1	0	0	0	111.9	I684 G781 Y782	I684-D784 HydrophobicContact CD1-CB 4.13Å; G781-D784 PolarHBondContact N-OD2 3.34Å; G781-D784 PolarHBondContact O-N 3.11Å; Y782-D784 PolarHBondContact O-N 3Å
785	T	68.5	Low	73.8	Confident	24 Å²	24	45.1 Å²	45.1	15%	0.147	26%	0.257	C	S	.	.			trans	-61.5	142.3	179.6	-50	0	0	0	0	112.4	T775 V776 Y782 F787	T775-T785 WeakPolarHBondContact O-CG2 2.96Å; V776-T785 HydrophobicContact CG1-CG2 3.86Å; V776-T785 WeakPolarHBondContact CG1-OG1 3.49Å; Y782-T785 VanDerWaalsContact C-OG1 3.29Å; Y782-T785 VanDerWaalsContact CA-OG1 3.23Å; Y782-T785 WeakPolarHBondContact CA-OG1 3.28Å; Y782-T785 VanDerWaalsContact CD2-OG1 3.3Å; Y782-T785 WeakPolarHBondContact CD2-OG1 3.37Å; Y782-T785 HydrophobicContact CE2-CG2 4.4Å; Y782-T785 WeakPolarHBondContact O-CB 3.04Å; Y782-T785 PolarHBondContact O-N 2.85Å; Y782-T785 PolarHBondContact O-OG1 3.46Å; T785-F787 HydrophobicContact CG2-CD2 3.91Å; T785-F787 HydrophobicContact CG2-CE1 4.04Å; T785-F787 HydrophobicContact CG2-CE2 3.36Å; T785-F787 HydrophobicContact CG2-CG 4.44Å; T785-F787 HydrophobicContact CG2-CZ 3.43Å; T785-F787 VanDerWaalsContact CG2-CZ 3.43Å
786	Q	76.5	Confident	73.4	Confident	51 Å²	51	48.2 Å²	48.2	24%	0.238	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.7	171.9	-67.9	167.1	50.2	0	0	110.4	P685 I687 P688 G774 T775	P685-Q786 PolarHBondContact O-NE2 3.08Å; I687-Q786 HydrophobicContact CB-CB 4.28Å; I687-Q786 HydrophobicContact CG1-CB 4.03Å; I687-Q786 HydrophobicContact CG1-CG 4.33Å; I687-Q786 HydrophobicContact CG2-CB 4.5Å; P688-Q786 WeakPolarHBondContact CD-O 3.28Å; G774-Q786 CarbonylContact C-O 3.54Å; G774-Q786 WeakPolarHBondContact CA-O 3.5Å; T775-Q786 PolarHBondContact N-O 3Å
787	F	81.7	Confident	73.1	Confident	61 Å²	61	51.2 Å²	51.2	27%	0.268	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.7	-167.5	-74.8	-81.5	0	0	0	114.5	I687 C773 Y782 T785	I687-F787 WeakPolarHBondContact CG2-O 2.94Å; C773-F787 CarbonylContact O-C 3.5Å; C773-F787 WeakPolarHBondContact O-CA 3.46Å; C773-F787 WeakPolarHBondContact O-CD1 3.11Å; Y782-F787 AromaticContact CE2-CZ 3.76Å; Y782-F787 HydrophobicContact CE2-CZ 3.76Å; Y782-F787 AromaticContact CZ-CZ 3.74Å; Y782-F787 WeakPolarHBondContact OH-CZ 3.39Å; T785-F787 HydrophobicContact CG2-CD2 3.91Å; T785-F787 HydrophobicContact CG2-CE1 4.04Å; T785-F787 HydrophobicContact CG2-CE2 3.36Å; T785-F787 HydrophobicContact CG2-CG 4.44Å; T785-F787 HydrophobicContact CG2-CZ 3.43Å; T785-F787 VanDerWaalsContact CG2-CZ 3.43Å
788	S	83.5	Confident	72.4	Confident	17 Å²	17	53.9 Å²	53.9	12%	0.119	31%	0.306	C	S	.	.			trans	-90.3	178.2	176	79.9	0	0	0	0	114	P688 I690 C773	P688-S788 WeakPolarHBondContact O-CB 3.3Å; I690-S788 WeakPolarHBondContact CD1-OG 3.48Å; C773-S788 PolarHBondContact N-OG 3.11Å; C773-S788 PolarHBondContact O-N 3.37Å; C773-S788 PolarHBondContact O-OG 3.19Å
789	L	79.6	Confident	72	Confident	145 Å²	145	51.7 Å²	51.7	76%	0.759	29%	0.294	S	S	*	.			trans	-78	160.1	173.4	-59.6	174.7	0	0	0	113.5
790	P	80.2	Confident	72.1	Confident	74 Å²	74	53.4 Å²	53.4	48%	0.481	30%	0.303	S	S	.	.			trans	-94.3	174.1	-178.1	36.5	-36.4	0	0	0	117.5	I770 F771 R772	I770-P790 HydrophobicContact CG2-CB 4.22Å; F771-P790 CarbonylContact O-C 3.55Å; F771-P790 WeakPolarHBondContact O-CA 3.21Å; R772-P790 HydrophobicContact CG-CB 3.83Å
791	V	80.5	Confident	72	Confident	24 Å²	24	54.5 Å²	54.5	15%	0.145	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	137.4	-170.4	-170.6	0	0	0	0	113.6	I690 Y693 L707 I770 F771	I690-V791 HydrophobicContact CG2-CG2 3.98Å; Y693-V791 HydrophobicContact CD1-CG1 3.34Å; Y693-V791 HydrophobicContact CE1-CG1 4.21Å; Y693-V791 HydrophobicContact CG-CG1 3.9Å; L707-V791 HydrophobicContact CD2-CG1 4.26Å; I770-V791 CarbonylContact C-O 3.57Å; I770-V791 WeakPolarHBondContact CA-O 3.34Å; F771-V791 PolarHBondContact N-O 2.92Å; F771-V791 PolarHBondContact O-N 3.42Å
792	E	78.9	Confident	72.4	Confident	87 Å²	87	54 Å²	54	41%	0.407	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.2	-172.1	-169.7	179.8	165.5	0	0	120.2	Y693 A769 I770	Y693-E792 WeakPolarHBondContact CE1-O 3.48Å; Y693-E792 PolarHBondContact OH-O 2.85Å; A769-E792 WeakPolarHBondContact O-CA 3.29Å; I770-E792 HydrophobicContact CD1-CG 4.22Å; I770-E792 HydrophobicContact CG1-CB 3.79Å; I770-E792 HydrophobicContact CG1-CG 3.63Å
793	I	78.4	Confident	73.1	Confident	10 Å²	10	56.2 Å²	56.2	5%	0.051	32%	0.322	C	S	.	.			trans	-127.1	163.5	-164.9	-28.3	-63.2	0	0	0	119.4	Y693 L699 L705 L762 G768 A769 F771	Y693-I793 HydrophobicContact CD1-CD1 3.98Å; Y693-I793 HydrophobicContact CD2-CD1 3.72Å; Y693-I793 HydrophobicContact CE1-CD1 3.79Å; Y693-I793 HydrophobicContact CE2-CD1 3.59Å; Y693-I793 HydrophobicContact CE2-CG2 4.3Å; Y693-I793 HydrophobicContact CG-CD1 3.9Å; L699-I793 HydrophobicContact CD1-CG2 4.06Å; L705-I793 HydrophobicContact CD2-CD1 3.42Å; L705-I793 VanDerWaalsContact CD2-CD1 3.42Å; L705-I793 HydrophobicContact CD2-CG1 3.97Å; L705-I793 HydrophobicContact CD2-CG2 4.34Å; L762-I793 HydrophobicContact CD1-CG2 3.63Å; L762-I793 HydrophobicContact CD2-CG2 3.87Å; L762-I793 HydrophobicContact CG-CG2 4.42Å; G768-I793 WeakPolarHBondContact CA-O 3.39Å; G768-I793 PolarHBondContact N-O 2.8Å; A769-I793 PolarHBondContact O-N 3.02Å; F771-I793 HydrophobicContact CE2-CG1 4.48Å
794	G	70.8	Confident	74	Confident	5 Å²	5	52.4 Å²	52.4	5%	0.052	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-161.9	0	-179.7	0	0	0	0	0	124.9	L698 L699 D767	L698-G794 CarbonylContact C-O 3.34Å; L698-G794 WeakPolarHBondContact CA-O 3.42Å; L699-G794 PolarHBondContact N-O 2.95Å; D767-G794 VanDerWaalsContact OD1-C 3.26Å; D767-G794 WeakPolarHBondContact OD1-CA 3.2Å
795	V	70.9	Confident	74.6	Confident	13 Å²	13	51.4 Å²	51.4	8%	0.079	29%	0.291	C	S	.	.				0	0	0	-158.1	0	0	0	0	122.3	D701 D767	D701-V795 HydrophobicContact CB-CG1 3.99Å; D767-V795 HydrophobicContact CB-CB 4.45Å; D767-V795 HydrophobicContact CB-CG2 4.17Å; D767-V795 PolarHBondContact OD1-N 2.89Å
796	S	73.5	Confident	75.1	Confident	68 Å²	68	53.5 Å²	53.5	48%	0.476	30%	0.303	S	S	.	.				0	0	0	-172.5	0	0	0	0	125	N860	S796-N860 CarbonylContact C-O 3.3Å; S796-N860 VanDerWaalsContact C-O 3.3Å; S796-N860 WeakPolarHBondContact CA-O 3.28Å; S796-N860 PolarHBondContact OG-O 2.81Å
797	Y	67.1	Low	75	Confident	90 Å²	90	55.3 Å²	55.3	35%	0.353	31%	0.314	S	S	.	.	B	Isolated β-bridge		0	175.3	0	64.3	-93.8	0	0	0	121.6	K764 N860 P861	K764-Y797 HydrophobicContact CD-CE1 4Å; K764-Y797 PolarHBondContact NZ-OH 2.84Å; Y797-N860 HydrophobicContact CD1-CB 3.75Å; Y797-N860 HydrophobicContact CD2-CB 4.26Å; Y797-N860 HydrophobicContact CE1-CB 3.62Å; Y797-N860 HydrophobicContact CE2-CB 4.15Å; Y797-N860 HydrophobicContact CG-CB 4.06Å; Y797-N860 PolarHBondContact N-O 3.5Å; Y797-N860 CarbonylContact O-C 3.29Å; Y797-N860 WeakPolarHBondContact O-CA 3.4Å; Y797-N860 PolarHBondContact O-N 2.69Å; Y797-N860 VanDerWaalsContact O-O 3.06Å; Y797-P861 WeakPolarHBondContact O-CD 3.42Å
798	S	60.5	Low	74.4	Confident	57 Å²	57	55.2 Å²	55.2	40%	0.399	32%	0.321	S	S	.	.			trans	-141.9	0	-159.5	62.7	0	0	0	0	126.1	S859 Q981	S798-S859 WeakPolarHBondContact O-CB 3.37Å; S798-Q981 WeakPolarHBondContact CB-O 3.46Å
799	A	61.3	Low	73.4	Confident	27 Å²	27	57 Å²	57	22%	0.223	34%	0.341	C	S	.	.				0	0	0	0	0	0	0	0	125.1	S859 P863	A799-S859 VanDerWaalsContact CB-OG 3.28Å; A799-S859 WeakPolarHBondContact CB-OG 3.42Å; A799-S859 PolarHBondContact N-OG 3.13Å; A799-P863 HydrophobicContact CB-CB 3.96Å; A799-P863 HydrophobicContact CB-CG 3.61Å
800	T	68.3	Low	72.7	Confident	45 Å²	45	52.9 Å²	52.9	28%	0.276	32%	0.322	S	S	.	.				0	-107	0	78.9	0	0	0	0	128.4	E857 I948 T984	T800-E857 WeakPolarHBondContact CB-OE2 3.18Å; T800-E857 VanDerWaalsContact CG2-OE2 3.25Å; T800-E857 WeakPolarHBondContact CG2-OE2 3.2Å; T800-E857 VanDerWaalsContact OG1-CB 3.26Å; T800-E857 WeakPolarHBondContact OG1-CB 3.45Å; T800-E857 WeakPolarHBondContact OG1-CG 3.39Å; T800-E857 PolarHBondContact OG1-OE2 3.35Å; T800-I948 WeakPolarHBondContact O-CD1 3.23Å; T800-T984 PolarHBondContact O-OG1 3Å
801	V	69.2	Low	72	Confident	81 Å²	81	50.3 Å²	50.3	49%	0.491	31%	0.31	S	S	.	.			trans	-117.6	-175.8	-141.3	157.1	0	0	0	0	123.7	Q855 V856 I948	V801-Q855 CarbonylContact C-O 3.48Å; V801-V856 WeakPolarHBondContact O-CA 3.35Å; V801-V856 WeakPolarHBondContact O-CB 3.47Å; V801-V856 WeakPolarHBondContact O-CG2 3.22Å; V801-I948 WeakPolarHBondContact O-CD1 3.32Å
802	L	71.5	Confident	71.7	Confident	18 Å²	18	56.1 Å²	56.1	9%	0.094	34%	0.335	C	S	.	.			trans	-159.1	164.4	-169.7	-162.9	127.5	0	0	0	121.6	Q855 L865 I948 L986	L802-Q855 WeakPolarHBondContact CA-O 3.11Å; L802-Q855 PolarHBondContact N-O 3.42Å; L802-L865 HydrophobicContact CD1-CD2 3.4Å; L802-L865 VanDerWaalsContact CD1-CD2 3.4Å; L802-L865 HydrophobicContact CG-CD2 4.11Å; L802-I948 HydrophobicContact CB-CD1 4.49Å; L802-I948 HydrophobicContact CD1-CG1 3.91Å; L802-L986 HydrophobicContact CB-CB 3.47Å; L802-L986 VanDerWaalsContact CB-CB 3.47Å; L802-L986 HydrophobicContact CB-CD2 3.74Å; L802-L986 HydrophobicContact CB-CG 4.19Å; L802-L986 HydrophobicContact CD1-CB 3.98Å; L802-L986 HydrophobicContact CD2-CB 4.33Å; L802-L986 HydrophobicContact CG-CB 4.13Å
803	N	79.5	Confident	71.5	Confident	103 Å²	103	57.5 Å²	57.5	55%	0.551	34%	0.343	S	S	*	.			trans	-168.7	177.3	163.1	-118.3	-33.9	0	0	0	119.8	C854	N803-C854 WeakPolarHBondContact O-CA 3.45Å; N803-C854 WeakPolarHBondContact O-CB 3.48Å; N803-C854 PolarHBondContact O-SG 2.87Å
804	I	83.3	Confident	71.2	Confident	30 Å²	30	58.4 Å²	58.4	15%	0.154	35%	0.348	C	S	.	.			trans	-148	137.1	167.5	-64.7	-174.9	0	0	0	115.5	M853 W867 C946 S988 I990	I804-M853 CarbonylContact C-O 3.38Å; I804-M853 WeakPolarHBondContact CA-O 3.42Å; I804-W867 HydrophobicContact CD1-CE3 4.16Å; I804-W867 HydrophobicContact CD1-CH2 4.34Å; I804-W867 HydrophobicContact CD1-CZ3 3.71Å; I804-W867 HydrophobicContact CG1-CH2 4.03Å; I804-W867 HydrophobicContact CG1-CZ3 3.91Å; I804-W867 HydrophobicContact CG2-CH2 4.12Å; I804-W867 HydrophobicContact CG2-CZ3 4.16Å; I804-C946 HydrophobicContact CD1-CB 3.77Å; I804-C946 HydrophobicContact CG1-CB 3.88Å; I804-S988 WeakPolarHBondContact CD1-O 3.01Å; I804-I990 HydrophobicContact CG2-CD1 3.99Å
805	S	82.9	Confident	70.8	Confident	49 Å²	49	64 Å²	64	34%	0.343	38%	0.381	S	S	.	.			trans	-157.6	149.5	168.8	66.5	0	0	0	0	117.9	L852 M853	S805-L852 CarbonylContact O-C 3.43Å; S805-L852 WeakPolarHBondContact O-CA 3.44Å; S805-M853 PolarHBondContact N-O 3.33Å; S805-M853 PolarHBondContact O-N 2.98Å
806	V	79.7	Confident	70.1	Confident	68 Å²	68	74.7 Å²	74.7	41%	0.412	42%	0.42	S	S	.	.			trans	-78.4	134.2	171.9	-177.5	0	0	0	0	113	L850 K851 L852	V806-L850 HydrophobicContact CG1-CD1 4.23Å; V806-K851 CarbonylContact C-O 3.52Å; V806-K851 WeakPolarHBondContact CA-O 3.26Å; V806-L852 HydrophobicContact CB-CD2 4.21Å; V806-L852 HydrophobicContact CG2-CD2 3.54Å
807	I	73.2	Confident	69.3	Low	90 Å²	90	74.2 Å²	74.2	46%	0.462	42%	0.416	S	S	.	.			trans	-108.7	-48.5	-176.4	-54.9	174.5	0	0	0	112.9	K851 M853	I807-K851 HydrophobicContact CB-CB 3.88Å; I807-K851 PolarHBondContact N-O 2.83Å; I807-M853 HydrophobicContact CD1-CB 3.94Å; I807-M853 HydrophobicContact CD1-SD 4.39Å
808	S	68.5	Low	69	Low	59 Å²	59	80 Å²	80	41%	0.413	44%	0.444	S	S	.	.	S	Bend	trans	-166.8	163.9	176.8	66.2	0	0	0	0	112.5	K851	S808-K851 PolarHBondContact O-N 3.43Å; S808-K851 WeakPolarHBondContact OG-CD 3.45Å; S808-K851 WeakPolarHBondContact OG-CE 3.29Å
809	G	62.9	Low	69.2	Low	53 Å²	53	78.7 Å²	78.7	55%	0.546	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	145.2	-172.6	174.6	0	0	0	0	0	113.7	G811 S849	G809-G811 PolarHBondContact O-N 3.37Å; G809-S849 WeakPolarHBondContact CA-O 3.38Å
810	T	65.9	Low	69.6	Low	59 Å²	59	80 Å²	80	36%	0.362	43%	0.431	S	S	.	.	S	Bend	trans	-82.2	1.3	168.4	56.5	0	0	0	0	113.5	Q812 H848 S849	T810-Q812 PolarHBondContact O-N 2.85Å; T810-Q812 VanDerWaalsContact O-N 3.11Å; T810-H848 HydrophobicContact CG2-CB 3.81Å; T810-H848 VanDerWaalsContact CG2-CD2 3.42Å; T810-H848 WeakPolarHBondContact CG2-CD2 3.42Å; T810-H848 VanDerWaalsContact OG1-CB 3.22Å; T810-H848 WeakPolarHBondContact OG1-CB 3.38Å; T810-S849 PolarHBondContact N-O 2.87Å
811	G	65.5	Low	69.5	Low	21 Å²	21	84.5 Å²	84.5	22%	0.216	45%	0.453	C	S	.	.			trans	-65.1	107.6	-178.6	0	0	0	0	0	112.1	G809 V842 Q843	G809-G811 PolarHBondContact O-N 3.37Å; G811-V842 VanDerWaalsContact CA-CG1 3.47Å; G811-Q843 WeakPolarHBondContact CA-O 2.77Å
812	Q	73.9	Confident	69.4	Low	145 Å²	145	83.1 Å²	83.1	68%	0.678	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.5	167.7	-70.8	-171.2	-16.1	0	0	109.4	T810 I814 Q843	T810-Q812 PolarHBondContact O-N 2.85Å; T810-Q812 VanDerWaalsContact O-N 3.11Å; Q812-I814 PolarHBondContact O-N 3.41Å; Q812-Q843 PolarHBondContact N-O 3.37Å; Q812-Q843 PolarHBondContact O-N 2.65Å
813	M	74.3	Confident	69.5	Low	116 Å²	116	82.8 Å²	82.8	57%	0.571	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	101.8	167.3	-73.6	-94.6	-78.1	0	0	108.7	P840 I841 V842	M813-P840 HydrophobicContact CE-CB 3.69Å; M813-P840 HydrophobicContact CE-CG 4.19Å; M813-P840 HydrophobicContact SD-CB 3.57Å; M813-P840 VanDerWaalsContact SD-CB 3.57Å; M813-I841 CarbonylContact C-O 3.57Å; M813-I841 WeakPolarHBondContact CA-O 3.17Å; M813-V842 HydrophobicContact SD-CG2 4.1Å
814	I	71.8	Confident	69.2	Low	29 Å²	29	82 Å²	82	15%	0.149	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	145.7	179.9	45.6	153.7	0	0	0	111.3	Q812 I841 Q843	Q812-I814 PolarHBondContact O-N 3.41Å; I814-I841 HydrophobicContact CD1-CB 4.35Å; I814-I841 HydrophobicContact CD1-CG2 3.78Å; I814-I841 HydrophobicContact CG1-CB 4.03Å; I814-I841 HydrophobicContact CG1-CG2 3.89Å; I814-I841 WeakPolarHBondContact CG1-O 3.15Å; I814-I841 PolarHBondContact N-O 3Å; I814-Q843 HydrophobicContact CD1-CB 3.72Å; I814-Q843 HydrophobicContact CD1-CG 4.49Å; I814-Q843 HydrophobicContact CG1-CB 3.84Å; I814-Q843 HydrophobicContact CG2-CB 4.19Å
815	T	62.3	Low	68.7	Low	122 Å²	122	82.9 Å²	82.9	75%	0.748	44%	0.437	S	S	*	.	S	Bend	trans	-116.4	-15.8	-177.3	53.8	0	0	0	0	114.1
816	R	57.8	Low	68.1	Low	238 Å²	238	80.6 Å²	80.6	90%	0.898	42%	0.421	S	S	*	.			trans	-154	119.8	179.5	-64	-176.5	175.4	160	-1.7	112.3
817	S	56.3	Low	68	Low	58 Å²	58	78.3 Å²	78.3	41%	0.406	41%	0.407	S	S	.	.			trans	-158.1	163.4	171.8	63.6	0	0	0	0	112.9	L819	S817-L819 PolarHBondContact O-N 3.44Å
818	K	59.8	Low	68.3	Low	213 Å²	213	77.8 Å²	77.8	93%	0.926	41%	0.411	S	S	*	.			trans	-80.7	94.2	167.9	-86.9	-167.8	173.9	-172.4	0	109.6
819	L	64.9	Low	68.6	Low	28 Å²	28	76.7 Å²	76.7	15%	0.147	40%	0.398	C	S	.	.			trans	-70.9	160.1	168.2	-68.5	164.5	0	0	0	111.4	S817 L823 Q824 L827	S817-L819 PolarHBondContact O-N 3.44Å; L819-L823 HydrophobicContact CB-CB 3.97Å; L819-L823 HydrophobicContact CD2-CB 4.22Å; L819-L823 HydrophobicContact CD2-CD1 3.9Å; L819-Q824 HydrophobicContact CB-CG 4.11Å; L819-L827 HydrophobicContact CD1-CD2 3.87Å
820	R	69.2	Low	69.2	Low	54 Å²	54	74.2 Å²	74.2	20%	0.204	37%	0.372	C	S	.	.			trans	-57.6	153.4	166.4	-109.9	-166.8	-69.6	-135	3.3	110.9	E822 L823 Q824 D940 S1042 N1043	R820-E822 VanDerWaalsContact CD-OE2 3.3Å; R820-E822 WeakPolarHBondContact CD-OE2 3.46Å; R820-E822 IonicContact NE-OE2 2.69Å; R820-E822 PolarHBondContact O-N 3.4Å; R820-L823 HydrophobicContact CB-CB 4.32Å; R820-L823 HydrophobicContact CB-CD1 4.07Å; R820-L823 HydrophobicContact CB-CG 4.07Å; R820-L823 PolarHBondContact O-N 2.87Å; R820-Q824 PolarHBondContact O-N 2.75Å; R820-D940 IonicContact CZ-OD2 3.53Å; R820-D940 IonicContact NE-OD2 2.61Å; R820-D940 IonicContact NH2-OD2 3.55Å; R820-D940 PolarHBondContact NH2-OD2 3.25Å; R820-S1042 PolarHBondContact NH1-O 3.06Å; R820-N1043 PolarHBondContact NH2-ND2 2.81Å
821	D	67.3	Low	69.8	Low	140 Å²	140	75.9 Å²	75.9	75%	0.749	38%	0.375	S	S	*	.	H	α-helix	trans	-56.1	-42.1	175.5	-59.6	-28.6	0	0	0	111.5	L823 Q824 I825	D821-L823 PolarHBondContact O-N 3.39Å; D821-Q824 PolarHBondContact O-N 2.68Å; D821-I825 WeakPolarHBondContact O-CG1 3.47Å; D821-I825 PolarHBondContact O-N 3.31Å
822	E	67.5	Low	70.3	Confident	52 Å²	52	79.7 Å²	79.7	24%	0.243	40%	0.398	C	S	.	.	H	α-helix	trans	-53.4	-48.2	171.7	-67.3	168.4	153.1	0	0	112.3	R820 I825 I826 L877	R820-E822 VanDerWaalsContact CD-OE2 3.3Å; R820-E822 WeakPolarHBondContact CD-OE2 3.46Å; R820-E822 IonicContact NE-OE2 2.69Å; R820-E822 PolarHBondContact O-N 3.4Å; E822-I825 PolarHBondContact O-N 3.15Å; E822-I826 PolarHBondContact O-N 3.13Å; E822-L877 HydrophobicContact CB-CD2 3.89Å; E822-L877 WeakPolarHBondContact O-CD2 3.39Å
823	L	72.3	Confident	70.2	Confident	12 Å²	12	76.9 Å²	76.9	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-74.4	-29.9	-177.1	-65.6	174.7	0	0	0	113.4	L819 R820 D821 I825 I826 L827 D940 S993	L819-L823 HydrophobicContact CB-CB 3.97Å; L819-L823 HydrophobicContact CD2-CB 4.22Å; L819-L823 HydrophobicContact CD2-CD1 3.9Å; R820-L823 HydrophobicContact CB-CB 4.32Å; R820-L823 HydrophobicContact CB-CD1 4.07Å; R820-L823 HydrophobicContact CB-CG 4.07Å; R820-L823 PolarHBondContact O-N 2.87Å; D821-L823 PolarHBondContact O-N 3.39Å; L823-I825 VanDerWaalsContact C-N 3.29Å; L823-I825 PolarHBondContact O-N 2.78Å; L823-I826 HydrophobicContact CD2-CD1 4.13Å; L823-I826 PolarHBondContact O-N 2.78Å; L823-L827 PolarHBondContact O-N 3.04Å; L823-L827 VanDerWaalsContact O-N 3.08Å; L823-D940 WeakPolarHBondContact CD1-OD1 3.19Å; L823-D940 WeakPolarHBondContact CD2-O 3.2Å; L823-S993 WeakPolarHBondContact CD1-OG 3.49Å
824	Q	75	Confident	70.1	Confident	87 Å²	87	74 Å²	74	41%	0.407	37%	0.366	S	S	.	.	H	α-helix	trans	-62.4	-39.5	174.1	-74	-69.5	-3.4	0	0	111.4	L819 R820 D821 S828	L819-Q824 HydrophobicContact CB-CG 4.11Å; R820-Q824 PolarHBondContact O-N 2.75Å; D821-Q824 PolarHBondContact O-N 2.68Å; Q824-S828 PolarHBondContact O-N 2.96Å; Q824-S828 VanDerWaalsContact O-N 3.16Å
825	I	71	Confident	69.9	Low	47 Å²	47	80 Å²	80	24%	0.241	40%	0.399	C	S	.	.	H	α-helix	trans	-60.2	-48.5	175.9	-64.8	166.2	0	0	0	109.7	D821 E822 L823 L827 S828 Y829 Y897 F901	D821-I825 WeakPolarHBondContact O-CG1 3.47Å; D821-I825 PolarHBondContact O-N 3.31Å; E822-I825 PolarHBondContact O-N 3.15Å; L823-I825 VanDerWaalsContact C-N 3.29Å; L823-I825 PolarHBondContact O-N 2.78Å; I825-L827 PolarHBondContact O-N 2.93Å; I825-S828 PolarHBondContact O-N 3.26Å; I825-S828 PolarHBondContact O-OG 3.31Å; I825-Y829 PolarHBondContact O-N 3.26Å; I825-Y897 HydrophobicContact CD1-CE1 4.1Å; I825-Y897 HydrophobicContact CG2-CD1 3.6Å; I825-Y897 HydrophobicContact CG2-CE1 3.72Å; I825-Y897 HydrophobicContact CG2-CG 4.29Å; I825-F901 HydrophobicContact CG2-CE2 4.17Å; I825-F901 HydrophobicContact CG2-CZ 4.24Å
826	I	71.1	Confident	70.2	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-60.9	-47.8	-180	-50.2	175	0	0	0	112.5	E822 L823 S828 Y829 Y830 C872 L877 F901 G941	E822-I826 PolarHBondContact O-N 3.13Å; L823-I826 HydrophobicContact CD2-CD1 4.13Å; L823-I826 PolarHBondContact O-N 2.78Å; I826-S828 PolarHBondContact O-N 2.92Å; I826-Y829 PolarHBondContact O-N 3.04Å; I826-Y830 HydrophobicContact CG2-CD2 3.63Å; I826-Y830 HydrophobicContact CG2-CE2 3.44Å; I826-Y830 VanDerWaalsContact CG2-CE2 3.44Å; I826-Y830 PolarHBondContact O-N 3.2Å; I826-C872 HydrophobicContact CD1-CB 4.36Å; I826-L877 HydrophobicContact CD1-CD2 3.79Å; I826-L877 HydrophobicContact CG1-CD2 3.81Å; I826-F901 HydrophobicContact CB-CE1 4.04Å; I826-F901 HydrophobicContact CB-CZ 4.08Å; I826-F901 HydrophobicContact CG1-CE1 3.81Å; I826-F901 HydrophobicContact CG1-CZ 3.82Å; I826-F901 HydrophobicContact CG2-CE1 3.77Å; I826-F901 HydrophobicContact CG2-CZ 4.28Å; I826-G941 VanDerWaalsContact CG2-O 3.3Å; I826-G941 WeakPolarHBondContact CG2-O 3.47Å
827	L	78	Confident	70.4	Confident	19 Å²	19	69.6 Å²	69.6	10%	0.099	38%	0.379	C	S	.	.	H	α-helix	trans	-61.2	-30.9	179.6	177.8	64.5	0	0	0	112.5	L819 L823 I825 I841 L991	L819-L827 HydrophobicContact CD1-CD2 3.87Å; L823-L827 PolarHBondContact O-N 3.04Å; L823-L827 VanDerWaalsContact O-N 3.08Å; I825-L827 PolarHBondContact O-N 2.93Å; L827-I841 HydrophobicContact CD1-CD1 3.99Å; L827-I841 HydrophobicContact CD1-CG1 4.34Å; L827-I841 HydrophobicContact CD2-CD1 3.87Å; L827-L991 HydrophobicContact CB-CD2 4.35Å; L827-L991 HydrophobicContact CD1-CD2 3.65Å
828	S	78.2	Confident	71.2	Confident	79 Å²	79	72.6 Å²	72.6	55%	0.552	39%	0.386	S	S	*	.	H	α-helix	trans	-71.7	-39.9	177.3	78.7	0	0	0	0	112.3	Q824 I825 I826	Q824-S828 PolarHBondContact O-N 2.96Å; Q824-S828 VanDerWaalsContact O-N 3.16Å; I825-S828 PolarHBondContact O-N 3.26Å; I825-S828 PolarHBondContact O-OG 3.31Å; I826-S828 PolarHBondContact O-N 2.92Å
829	Y	75.2	Confident	72	Confident	36 Å²	36	62.7 Å²	62.7	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-67.7	-50.2	-177.6	172.6	-94.3	0	0	0	112.7	I825 I826 K831 S832 K833 D898 F901	I825-Y829 PolarHBondContact O-N 3.26Å; I826-Y829 PolarHBondContact O-N 3.04Å; Y829-K831 VanDerWaalsContact C-N 3.3Å; Y829-K831 PolarHBondContact O-N 2.75Å; Y829-S832 WeakPolarHBondContact O-CA 3.5Å; Y829-S832 VanDerWaalsContact O-CB 3.26Å; Y829-S832 WeakPolarHBondContact O-CB 3.46Å; Y829-S832 PolarHBondContact O-N 3.07Å; Y829-K833 HydrophobicContact CE1-CB 4.13Å; Y829-K833 HydrophobicContact CE1-CD 3.75Å; Y829-K833 HydrophobicContact CE1-CG 4.46Å; Y829-K833 PolarHBondContact O-N 2.87Å; Y829-D898 HydrophobicContact CE2-CB 4.44Å; Y829-F901 HydrophobicContact CD1-CB 3.64Å; Y829-F901 AromaticContact CD1-CD1 3.83Å; Y829-F901 HydrophobicContact CD1-CD1 3.83Å; Y829-F901 AromaticContact CD1-CD2 3.64Å; Y829-F901 HydrophobicContact CD1-CD2 3.64Å; Y829-F901 HydrophobicContact CD1-CE1 4.49Å; Y829-F901 HydrophobicContact CD1-CE2 4.32Å; Y829-F901 AromaticContact CD1-CG 3.42Å; Y829-F901 HydrophobicContact CD1-CG 3.42Å; Y829-F901 VanDerWaalsContact CD1-CG 3.42Å; Y829-F901 HydrophobicContact CD2-CB 4.15Å; Y829-F901 AromaticContact CD2-CD2 3.48Å; Y829-F901 HydrophobicContact CD2-CD2 3.48Å; Y829-F901 VanDerWaalsContact CD2-CD2 3.48Å; Y829-F901 HydrophobicContact CD2-CE2 4.23Å; Y829-F901 HydrophobicContact CD2-CG 4Å; Y829-F901 HydrophobicContact CE1-CB 3.2Å; Y829-F901 HydrophobicContact CE1-CD1 4.18Å; Y829-F901 HydrophobicContact CE1-CD2 4.1Å; Y829-F901 AromaticContact CE1-CG 3.59Å; Y829-F901 HydrophobicContact CE1-CG 3.59Å; Y829-F901 HydrophobicContact CE2-CB 3.75Å; Y829-F901 AromaticContact CE2-CD2 3.94Å; Y829-F901 HydrophobicContact CE2-CD2 3.94Å; Y829-F901 HydrophobicContact CE2-CG 4.14Å; Y829-F901 HydrophobicContact CG-CB 4.09Å; Y829-F901 HydrophobicContact CG-CD1 4.3Å; Y829-F901 AromaticContact CG-CD2 3.3Å; Y829-F901 HydrophobicContact CG-CD2 3.3Å; Y829-F901 AromaticContact CG-CE2 3.82Å; Y829-F901 HydrophobicContact CG-CE2 3.82Å; Y829-F901 AromaticContact CG-CG 3.64Å; Y829-F901 HydrophobicContact CG-CG 3.64Å; Y829-F901 AromaticContact CZ-CG 3.92Å
830	Y	76.2	Confident	72.7	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-30.2	-172.4	-77.2	-53.2	0	0	0	114.4	I826 S832 K833 Y834 N870 C872 L943 L991	I826-Y830 HydrophobicContact CG2-CD2 3.63Å; I826-Y830 HydrophobicContact CG2-CE2 3.44Å; I826-Y830 VanDerWaalsContact CG2-CE2 3.44Å; I826-Y830 PolarHBondContact O-N 3.2Å; Y830-S832 PolarHBondContact O-N 3.16Å; Y830-K833 HydrophobicContact CD1-CD 4.36Å; Y830-K833 HydrophobicContact CE1-CD 4.49Å; Y830-K833 PolarHBondContact O-N 2.69Å; Y830-Y834 HydrophobicContact CD1-CD2 4.33Å; Y830-Y834 AromaticContact CD1-CE2 3.79Å; Y830-Y834 HydrophobicContact CD1-CE2 3.79Å; Y830-Y834 HydrophobicContact CE1-CE2 4.27Å; Y830-Y834 PolarHBondContact O-N 3.3Å; Y830-N870 HydrophobicContact CE1-CB 4.09Å; Y830-N870 WeakPolarHBondContact OH-CB 3.48Å; Y830-N870 PolarHBondContact OH-O 2.76Å; Y830-C872 PolarHBondContact OH-SG 2.88Å; Y830-L943 HydrophobicContact CD1-CB 4.38Å; Y830-L943 HydrophobicContact CD1-CD2 3.76Å; Y830-L943 HydrophobicContact CD2-CB 3.94Å; Y830-L943 HydrophobicContact CD2-CD1 4.23Å; Y830-L943 HydrophobicContact CD2-CD2 4.5Å; Y830-L943 HydrophobicContact CD2-CG 4.46Å; Y830-L943 HydrophobicContact CE1-CB 4.17Å; Y830-L943 HydrophobicContact CE1-CD2 4.08Å; Y830-L943 HydrophobicContact CE2-CB 3.69Å; Y830-L943 HydrophobicContact CG-CB 4.27Å; Y830-L943 HydrophobicContact CG-CD1 4.21Å; Y830-L943 HydrophobicContact CG-CD2 3.98Å; Y830-L943 HydrophobicContact CG-CG 4.4Å; Y830-L991 HydrophobicContact CD2-CD1 3.84Å; Y830-L991 HydrophobicContact CE2-CD1 4.22Å
831	K	78.4	Confident	73.3	Confident	94 Å²	94	61 Å²	61	41%	0.409	34%	0.339	S	S	.	.	H	α-helix	trans	-64.6	-30.5	172.6	-71.7	174.3	178.7	169.4	0	112.5	Y829 I839	Y829-K831 VanDerWaalsContact C-N 3.3Å; Y829-K831 PolarHBondContact O-N 2.75Å; K831-I839 HydrophobicContact CG-CD1 4.13Å
832	S	74.9	Confident	74.1	Confident	101 Å²	101	54.4 Å²	54.4	71%	0.706	30%	0.304	S	S	*	.	H	α-helix	trans	-74.5	-49.2	173.5	-164	0	0	0	0	111.2	Y829 Y830 Y834	Y829-S832 WeakPolarHBondContact O-CA 3.5Å; Y829-S832 VanDerWaalsContact O-CB 3.26Å; Y829-S832 WeakPolarHBondContact O-CB 3.46Å; Y829-S832 PolarHBondContact O-N 3.07Å; Y830-S832 PolarHBondContact O-N 3.16Å; S832-Y834 PolarHBondContact O-N 3.04Å
833	K	72.6	Confident	74.9	Confident	86 Å²	86	54.6 Å²	54.6	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-56.5	-43.1	-172.5	-177.3	178.8	173.6	-161.2	0	114.3	Y829 Y830	Y829-K833 HydrophobicContact CE1-CB 4.13Å; Y829-K833 HydrophobicContact CE1-CD 3.75Å; Y829-K833 HydrophobicContact CE1-CG 4.46Å; Y829-K833 PolarHBondContact O-N 2.87Å; Y830-K833 HydrophobicContact CD1-CD 4.36Å; Y830-K833 HydrophobicContact CE1-CD 4.49Å; Y830-K833 PolarHBondContact O-N 2.69Å
834	Y	71.9	Confident	75.2	Confident	54 Å²	54	54.3 Å²	54.3	21%	0.212	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-1.3	-168.5	-66.4	-79.9	0	0	0	115.5	Y830 S832 V836 N870 L943 E945 H989	Y830-Y834 HydrophobicContact CD1-CD2 4.33Å; Y830-Y834 AromaticContact CD1-CE2 3.79Å; Y830-Y834 HydrophobicContact CD1-CE2 3.79Å; Y830-Y834 HydrophobicContact CE1-CE2 4.27Å; Y830-Y834 PolarHBondContact O-N 3.3Å; S832-Y834 PolarHBondContact O-N 3.04Å; Y834-V836 WeakPolarHBondContact O-CG2 3.45Å; Y834-V836 PolarHBondContact O-N 2.86Å; Y834-V836 VanDerWaalsContact O-N 3.09Å; Y834-N870 PolarHBondContact OH-ND2 3.25Å; Y834-N870 PolarHBondContact OH-OD1 3.37Å; Y834-L943 HydrophobicContact CD2-CD2 3.94Å; Y834-L943 HydrophobicContact CE2-CD2 3.46Å; Y834-L943 VanDerWaalsContact CE2-CD2 3.46Å; Y834-E945 WeakPolarHBondContact CE1-OE1 3.28Å; Y834-E945 PolarHBondContact OH-OE1 3.28Å; Y834-H989 AromaticContact CD1-CE1 3.57Å; Y834-H989 AromaticContact CG-CE1 3.78Å
835	N	68.7	Low	75.5	Confident	157 Å²	157	56.1 Å²	56.1	84%	0.84	31%	0.311	S	S	*	.			trans	53.9	25.9	-176.1	-159.3	25	0	0	0	114.4
836	V	66.9	Low	75.6	Confident	55 Å²	55	55.4 Å²	55.4	33%	0.333	31%	0.31	S	S	.	.			trans	-93.9	117.7	177.3	-165.4	0	0	0	0	109.1	Y834 H838	Y834-V836 WeakPolarHBondContact O-CG2 3.45Å; Y834-V836 PolarHBondContact O-N 2.86Å; Y834-V836 VanDerWaalsContact O-N 3.09Å; V836-H838 VanDerWaalsContact CG1-O 3.28Å; V836-H838 WeakPolarHBondContact CG1-O 3.37Å; V836-H838 PolarHBondContact O-N 3.25Å; V836-H838 VanDerWaalsContact O-N 3.09Å
837	G	63.8	Low	75.7	Confident	86 Å²	86	57 Å²	57	89%	0.887	33%	0.328	S	S	*	.	S	Bend	trans	-62.1	-18.4	-176.7	0	0	0	0	0	115.1
838	H	72.6	Confident	75.7	Confident	120 Å²	120	60.1 Å²	60.1	56%	0.556	34%	0.342	S	S	*	.			trans	-141.9	130.7	174.3	-170.6	59.9	0	0	0	111.5	V836	V836-H838 VanDerWaalsContact CG1-O 3.28Å; V836-H838 WeakPolarHBondContact CG1-O 3.37Å; V836-H838 PolarHBondContact O-N 3.25Å; V836-H838 VanDerWaalsContact O-N 3.09Å
839	I	75.4	Confident	75.4	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.026	32%	0.322	C	S	.	.			trans	-118.7	117.4	167.6	-62.5	175.8	0	0	0	105.5	K831 L943 L991	K831-I839 HydrophobicContact CG-CD1 4.13Å; I839-L943 HydrophobicContact CD1-CD1 4.04Å; I839-L943 HydrophobicContact CG2-CD1 3.5Å; I839-L943 VanDerWaalsContact CG2-CD1 3.5Å; I839-L991 HydrophobicContact CG2-CB 3.73Å
840	P	80.5	Confident	75.7	Confident	25 Å²	25	55.8 Å²	55.8	16%	0.162	32%	0.316	C	S	.	.			trans	-68	145.1	178.3	-17.8	30.7	0	0	0	111.7	M813 L991	M813-P840 HydrophobicContact CE-CB 3.69Å; M813-P840 HydrophobicContact CE-CG 4.19Å; M813-P840 HydrophobicContact SD-CB 3.57Å; M813-P840 VanDerWaalsContact SD-CB 3.57Å; P840-L991 PolarHBondContact O-N 3.49Å
841	I	81.9	Confident	75.9	Confident	21 Å²	21	59 Å²	59	11%	0.108	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.2	175.2	-50.4	177.1	0	0	0	108.7	M813 I814 L827 L991	M813-I841 CarbonylContact C-O 3.57Å; M813-I841 WeakPolarHBondContact CA-O 3.17Å; I814-I841 HydrophobicContact CD1-CB 4.35Å; I814-I841 HydrophobicContact CD1-CG2 3.78Å; I814-I841 HydrophobicContact CG1-CB 4.03Å; I814-I841 HydrophobicContact CG1-CG2 3.89Å; I814-I841 WeakPolarHBondContact CG1-O 3.15Å; I814-I841 PolarHBondContact N-O 3Å; L827-I841 HydrophobicContact CD1-CD1 3.99Å; L827-I841 HydrophobicContact CD1-CG1 4.34Å; L827-I841 HydrophobicContact CD2-CD1 3.87Å; I841-L991 CarbonylContact C-O 3.43Å; I841-L991 WeakPolarHBondContact CA-O 3.5Å; I841-L991 HydrophobicContact CG1-CD2 4.25Å
842	V	83.7	Confident	76.2	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.2	173.5	-174.7	0	0	0	0	109.6	G811 M813 L850 I990 L991 L992 S993	G811-V842 VanDerWaalsContact CA-CG1 3.47Å; M813-V842 HydrophobicContact SD-CG2 4.1Å; V842-L850 HydrophobicContact CB-CD2 4.49Å; V842-L850 HydrophobicContact CG1-CD1 4Å; V842-L850 HydrophobicContact CG1-CD2 3.97Å; V842-I990 HydrophobicContact CG2-CG2 3.84Å; V842-L991 PolarHBondContact N-O 2.92Å; V842-L992 HydrophobicContact CB-CD2 4Å; V842-L992 HydrophobicContact CG2-CD2 4.49Å; V842-S993 PolarHBondContact O-N 2.84Å
843	Q	84.4	Confident	76.6	Confident	57 Å²	57	52.1 Å²	52.1	27%	0.266	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.7	170.8	-169.8	176.7	-19.7	0	0	110.2	G811 Q812 I814 S993	G811-Q843 WeakPolarHBondContact CA-O 2.77Å; Q812-Q843 PolarHBondContact N-O 3.37Å; Q812-Q843 PolarHBondContact O-N 2.65Å; I814-Q843 HydrophobicContact CD1-CB 3.72Å; I814-Q843 HydrophobicContact CD1-CG 4.49Å; I814-Q843 HydrophobicContact CG1-CB 3.84Å; I814-Q843 HydrophobicContact CG2-CB 4.19Å; Q843-S993 WeakPolarHBondContact CA-O 3.47Å
844	A	79.3	Confident	77.2	Confident	6 Å²	6	48 Å²	48	5%	0.05	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	166.8	171.8	0	0	0	0	0	111.4	I935 S993 I994 Q995	A844-I935 HydrophobicContact CB-CB 4.17Å; A844-I935 HydrophobicContact CB-CG1 3.89Å; A844-I935 HydrophobicContact CB-CG2 3.87Å; A844-S993 PolarHBondContact N-O 2.92Å; A844-S993 VanDerWaalsContact N-O 3.11Å; A844-I994 WeakPolarHBondContact O-CA 3.23Å; A844-Q995 PolarHBondContact O-N 2.76Å
845	K	80.7	Confident	77.5	Confident	124 Å²	124	48.7 Å²	48.7	54%	0.539	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.6	169.5	-67.8	179.4	179.7	178.4	0	108.4
846	S	73.5	Confident	77.9	Confident	32 Å²	32	41.3 Å²	41.3	22%	0.224	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	142.2	173.2	-169	0	0	0	0	110.7	H848 I937 Q995	S846-H848 PolarHBondContact O-ND1 2.99Å; S846-I937 VanDerWaalsContact OG-CG2 3.24Å; S846-I937 WeakPolarHBondContact OG-CG2 3.45Å; S846-I937 PolarHBondContact OG-N 3.38Å; S846-Q995 WeakPolarHBondContact CB-O 3.37Å; S846-Q995 PolarHBondContact N-O 3.29Å
847	G	72.7	Confident	77.8	Confident	37 Å²	37	41.8 Å²	41.8	38%	0.381	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	23.5	-178.9	0	0	0	0	0	115.3	I935	G847-I935 PolarHBondContact N-O 3.15Å
848	H	77.3	Confident	77.6	Confident	84 Å²	84	40.9 Å²	40.9	39%	0.389	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.4	175.4	-62.7	71.2	0	0	0	110.6	T810 S846 I935	T810-H848 HydrophobicContact CG2-CB 3.81Å; T810-H848 VanDerWaalsContact CG2-CD2 3.42Å; T810-H848 WeakPolarHBondContact CG2-CD2 3.42Å; T810-H848 VanDerWaalsContact OG1-CB 3.22Å; T810-H848 WeakPolarHBondContact OG1-CB 3.38Å; S846-H848 PolarHBondContact O-ND1 2.99Å; H848-I935 WeakPolarHBondContact O-CA 3.18Å; H848-I935 WeakPolarHBondContact O-CB 3.32Å; H848-I935 PolarHBondContact O-N 3.09Å
849	S	72.7	Confident	77.1	Confident	21 Å²	21	35.4 Å²	35.4	15%	0.147	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	157.2	-175.9	-58.9	0	0	0	0	114.9	G809 T810	G809-S849 WeakPolarHBondContact CA-O 3.38Å; T810-S849 PolarHBondContact N-O 2.87Å
850	L	81.2	Confident	76.3	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	115.5	171.6	175.6	67.1	0	0	0	110.3	V806 V842 L852 L933 I935 L992	V806-L850 HydrophobicContact CG1-CD1 4.23Å; V842-L850 HydrophobicContact CB-CD2 4.49Å; V842-L850 HydrophobicContact CG1-CD1 4Å; V842-L850 HydrophobicContact CG1-CD2 3.97Å; L850-L852 HydrophobicContact CD2-CD1 4.39Å; L850-L852 HydrophobicContact CG-CD1 4.48Å; L850-L852 HydrophobicContact CG-CG 4.48Å; L850-L933 PolarHBondContact N-O 3.3Å; L850-L933 PolarHBondContact O-N 3.38Å; L850-I935 HydrophobicContact CB-CD1 4.05Å; L850-I935 HydrophobicContact CB-CG1 3.9Å; L850-I935 HydrophobicContact CD2-CD1 4.02Å; L850-L992 HydrophobicContact CD2-CD2 3.85Å
851	K	81.4	Confident	75.2	Confident	70 Å²	70	38.3 Å²	38.3	30%	0.304	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.3	-178.8	-61.6	-170.2	-165	-103.1	0	113.8	V806 I807 S808 E932	V806-K851 CarbonylContact C-O 3.52Å; V806-K851 WeakPolarHBondContact CA-O 3.26Å; I807-K851 HydrophobicContact CB-CB 3.88Å; I807-K851 PolarHBondContact N-O 2.83Å; S808-K851 PolarHBondContact O-N 3.43Å; S808-K851 WeakPolarHBondContact OG-CD 3.45Å; S808-K851 WeakPolarHBondContact OG-CE 3.29Å; K851-E932 WeakPolarHBondContact CE-OE1 3.44Å; K851-E932 HydrophobicContact CG-CB 4.2Å; K851-E932 HydrophobicContact CG-CG 3.89Å; K851-E932 WeakPolarHBondContact CG-OE1 3.43Å; K851-E932 IonicContact NZ-OE1 3.52Å; K851-E932 PolarHBondContact NZ-OE1 2.82Å; K851-E932 IonicContact NZ-OE2 3.61Å; K851-E932 PolarHBondContact NZ-OE2 3.49Å
852	L	84.3	Confident	74	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.016	22%	0.215	C	C	.	.			trans	-142.1	171.9	-175.2	-57	160.7	0	0	0	112.5	S805 V806 L850 W867 H930 L931 L944 I990	S805-L852 CarbonylContact O-C 3.43Å; S805-L852 WeakPolarHBondContact O-CA 3.44Å; V806-L852 HydrophobicContact CB-CD2 4.21Å; V806-L852 HydrophobicContact CG2-CD2 3.54Å; L850-L852 HydrophobicContact CD2-CD1 4.39Å; L850-L852 HydrophobicContact CG-CD1 4.48Å; L850-L852 HydrophobicContact CG-CG 4.48Å; L852-W867 HydrophobicContact CB-CH2 3.83Å; L852-W867 HydrophobicContact CB-CZ3 4.38Å; L852-H930 CarbonylContact O-C 3.51Å; L852-H930 WeakPolarHBondContact O-CA 3.24Å; L852-L931 WeakPolarHBondContact CA-O 3.22Å; L852-L931 HydrophobicContact CB-CB 4.05Å; L852-L931 HydrophobicContact CB-CD2 4.48Å; L852-L931 HydrophobicContact CB-CG 4.45Å; L852-L931 VanDerWaalsContact CB-O 3.29Å; L852-L931 WeakPolarHBondContact CB-O 3.31Å; L852-L931 HydrophobicContact CD1-CD2 3.93Å; L852-L931 HydrophobicContact CD1-CG 4.37Å; L852-L931 PolarHBondContact N-O 3.15Å; L852-L931 PolarHBondContact O-N 3.37Å; L852-L944 HydrophobicContact CD1-CD2 3.34Å; L852-I990 HydrophobicContact CD2-CD1 3.86Å
853	M	83.6	Confident	72.9	Confident	47 Å²	47	41.8 Å²	41.8	23%	0.232	22%	0.215	C	C	.	.			trans	-163.5	138.1	-174.5	174.2	-174.9	83.8	0	0	118.3	I804 S805 I807 W867 S929 H930	I804-M853 CarbonylContact C-O 3.38Å; I804-M853 WeakPolarHBondContact CA-O 3.42Å; S805-M853 PolarHBondContact N-O 3.33Å; S805-M853 PolarHBondContact O-N 2.98Å; I807-M853 HydrophobicContact CD1-CB 3.94Å; I807-M853 HydrophobicContact CD1-SD 4.39Å; M853-W867 VanDerWaalsContact C-CZ2 3.46Å; M853-S929 CarbonylContact C-O 3.36Å; M853-S929 WeakPolarHBondContact CA-O 3.24Å; M853-H930 WeakPolarHBondContact CG-ND1 3.4Å; M853-H930 PolarHBondContact SD-CE1 2.73Å
854	C	83.9	Confident	71.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	161.1	-176.5	-177.1	0	0	0	0	113.2	N803 L865 W867 N928 S929 C946	N803-C854 WeakPolarHBondContact O-CA 3.45Å; N803-C854 WeakPolarHBondContact O-CB 3.48Å; N803-C854 PolarHBondContact O-SG 2.87Å; C854-L865 VanDerWaalsContact SG-CD2 3.59Å; C854-W867 HydrophobicContact CB-CD2 4.3Å; C854-W867 VanDerWaalsContact CB-CE2 3.41Å; C854-W867 HydrophobicContact CB-CH2 4.19Å; C854-W867 HydrophobicContact CB-CZ2 3.38Å; C854-N928 CarbonylContact O-C 3.5Å; C854-S929 PolarHBondContact N-O 3.49Å; C854-S929 CarbonylContact O-C 2.78Å; C854-S929 VanDerWaalsContact O-CA 3.3Å; C854-S929 WeakPolarHBondContact O-CA 3.21Å; C854-S929 WeakPolarHBondContact O-CB 3.43Å; C854-S929 PolarHBondContact O-N 2.8Å; C854-C946 HydrophobicContact CB-CB 4.02Å; C854-C946 WeakPolarHBondContact CB-SG 3.38Å; C854-C946 WeakPolarHBondContact SG-CB 3.24Å; C854-C946 CovalentContact SG-SG 2.06Å; C854-C946 PolarHBondContact SG-SG 3.32Å
855	Q	78.9	Confident	71.5	Confident	68 Å²	68	42 Å²	42	32%	0.318	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	133	-163.7	-44.9	179.9	-102.3	0	0	118.3	V801 L802 L927 N928	V801-Q855 CarbonylContact C-O 3.48Å; L802-Q855 WeakPolarHBondContact CA-O 3.11Å; L802-Q855 PolarHBondContact N-O 3.42Å; Q855-L927 CarbonylContact C-O 2.69Å; Q855-N928 VanDerWaalsContact CB-OD1 3.3Å; Q855-N928 WeakPolarHBondContact CB-OD1 3.42Å; Q855-N928 WeakPolarHBondContact CG-OD1 3.4Å; Q855-N928 PolarHBondContact NE2-OD1 3.39Å
856	V	76.6	Confident	71.1	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	-163.1	-176.7	72.9	0	0	0	0	118.9	V801 L865 M914 I926 L927 I948	V801-V856 WeakPolarHBondContact O-CA 3.35Å; V801-V856 WeakPolarHBondContact O-CB 3.47Å; V801-V856 WeakPolarHBondContact O-CG2 3.22Å; V856-L865 HydrophobicContact CB-CB 4.35Å; V856-L865 HydrophobicContact CB-CD1 3.8Å; V856-L865 HydrophobicContact CB-CG 3.65Å; V856-L865 HydrophobicContact CG1-CB 3.55Å; V856-L865 HydrophobicContact CG1-CD1 3.59Å; V856-L865 HydrophobicContact CG1-CG 3.38Å; V856-L865 HydrophobicContact CG2-CG 4.41Å; V856-M914 HydrophobicContact CG1-CG 4.14Å; V856-M914 HydrophobicContact CG1-SD 3.85Å; V856-I926 CarbonylContact O-C 3.54Å; V856-I926 VanDerWaalsContact O-CA 3.24Å; V856-I926 WeakPolarHBondContact O-CA 3.25Å; V856-I926 WeakPolarHBondContact O-CG2 3.18Å; V856-L927 HydrophobicContact CG1-CB 3.54Å; V856-L927 HydrophobicContact CG1-CD1 3.71Å; V856-L927 HydrophobicContact CG1-CG 4.28Å; V856-L927 PolarHBondContact N-O 3.07Å; V856-L927 PolarHBondContact O-N 2.96Å; V856-I948 HydrophobicContact CG2-CD1 3.91Å; V856-I948 HydrophobicContact CG2-CG1 4.34Å
857	E	65.8	Low	71.6	Confident	65 Å²	65	35.8 Å²	35.8	30%	0.304	19%	0.185	S	C	.	.			trans	-145.8	176.7	173.8	-53	174.6	91.6	0	0	114.7	T800 P863 L927	T800-E857 WeakPolarHBondContact CB-OE2 3.18Å; T800-E857 VanDerWaalsContact CG2-OE2 3.25Å; T800-E857 WeakPolarHBondContact CG2-OE2 3.2Å; T800-E857 VanDerWaalsContact OG1-CB 3.26Å; T800-E857 WeakPolarHBondContact OG1-CB 3.45Å; T800-E857 WeakPolarHBondContact OG1-CG 3.39Å; T800-E857 PolarHBondContact OG1-OE2 3.35Å; E857-P863 WeakPolarHBondContact O-CG 3.22Å; E857-L927 VanDerWaalsContact O-CD1 3.22Å; E857-L927 WeakPolarHBondContact O-CD1 3.42Å
858	M	60.2	Low	71.9	Confident	68 Å²	68	35 Å²	35	34%	0.335	17%	0.171	S	C	.	.			trans	-123.1	149.9	-149.7	174.1	58.2	133.4	0	0	120.8	K862 E916 L927	M858-K862 HydrophobicContact CE-CD 4.48Å; M858-K862 HydrophobicContact SD-CD 4.11Å; M858-K862 VanDerWaalsContact SD-CE 3.57Å; M858-K862 HydrophobicContact SD-CG 4.01Å; M858-E916 WeakPolarHBondContact CE-OE1 3.08Å; M858-E916 WeakPolarHBondContact CG-OE1 3.43Å; M858-L927 HydrophobicContact CB-CD1 4.06Å
859	S	62.2	Low	72.2	Confident	5 Å²	5	31.2 Å²	31.2	4%	0.035	15%	0.153	C	C	.	.			trans	-167.7	-166.7	-173.9	58.7	0	0	0	0	121.6	S798 A799 P861 K862 P863	S798-S859 WeakPolarHBondContact O-CB 3.37Å; A799-S859 VanDerWaalsContact CB-OG 3.28Å; A799-S859 WeakPolarHBondContact CB-OG 3.42Å; A799-S859 PolarHBondContact N-OG 3.13Å; S859-P861 WeakPolarHBondContact CB-O 3.01Å; S859-P861 PolarHBondContact OG-O 3.01Å; S859-K862 VanDerWaalsContact O-CA 3.26Å; S859-K862 WeakPolarHBondContact O-CA 3.15Å; S859-K862 WeakPolarHBondContact O-CB 3.36Å; S859-P863 WeakPolarHBondContact OG-CD 3.47Å
860	N	57.7	Low	72.5	Confident	56 Å²	56	30.2 Å²	30.2	30%	0.299	15%	0.147	S	C	.	.	B	Isolated β-bridge	trans	-153.8	73.8	169.7	177.8	34.2	0	0	0	114.4	S796 Y797	S796-N860 CarbonylContact C-O 3.3Å; S796-N860 VanDerWaalsContact C-O 3.3Å; S796-N860 WeakPolarHBondContact CA-O 3.28Å; S796-N860 PolarHBondContact OG-O 2.81Å; Y797-N860 HydrophobicContact CD1-CB 3.75Å; Y797-N860 HydrophobicContact CD2-CB 4.26Å; Y797-N860 HydrophobicContact CE1-CB 3.62Å; Y797-N860 HydrophobicContact CE2-CB 4.15Å; Y797-N860 HydrophobicContact CG-CB 4.06Å; Y797-N860 PolarHBondContact N-O 3.5Å; Y797-N860 CarbonylContact O-C 3.29Å; Y797-N860 WeakPolarHBondContact O-CA 3.4Å; Y797-N860 PolarHBondContact O-N 2.69Å; Y797-N860 VanDerWaalsContact O-O 3.06Å
861	P	56.8	Low	72.2	Confident	35 Å²	35	31.4 Å²	31.4	23%	0.227	15%	0.152	C	C	.	.	S	Bend	cis	-76.1	123.6	43.4	-22.7	34.7	0	0	0	110.8	Y797 S859 Y951	Y797-P861 WeakPolarHBondContact O-CD 3.42Å; S859-P861 WeakPolarHBondContact CB-O 3.01Å; S859-P861 PolarHBondContact OG-O 3.01Å; P861-Y951 HydrophobicContact CB-CD1 3.79Å; P861-Y951 HydrophobicContact CB-CD2 3.42Å; P861-Y951 VanDerWaalsContact CB-CD2 3.42Å; P861-Y951 HydrophobicContact CB-CE1 3.74Å; P861-Y951 HydrophobicContact CB-CE2 3.36Å; P861-Y951 HydrophobicContact CB-CG 3.63Å; P861-Y951 HydrophobicContact CG-CD1 4.34Å; P861-Y951 HydrophobicContact CG-CG 4.3Å
862	K	56.7	Low	71.5	Confident	93 Å²	93	28 Å²	28	40%	0.404	14%	0.137	S	C	.	.	P	Polyproline II helix	trans	-72.2	143.7	-169.2	-173.5	177.8	170.7	177.8	0	110.4	M858 S859	M858-K862 HydrophobicContact CE-CD 4.48Å; M858-K862 HydrophobicContact SD-CD 4.11Å; M858-K862 VanDerWaalsContact SD-CE 3.57Å; M858-K862 HydrophobicContact SD-CG 4.01Å; S859-K862 VanDerWaalsContact O-CA 3.26Å; S859-K862 WeakPolarHBondContact O-CA 3.15Å; S859-K862 WeakPolarHBondContact O-CB 3.36Å
863	P	61.1	Low	70.2	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.019	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-92.8	149.2	178.3	38.2	-27.6	0	0	0	108.4	A799 E857 S859	A799-P863 HydrophobicContact CB-CB 3.96Å; A799-P863 HydrophobicContact CB-CG 3.61Å; E857-P863 WeakPolarHBondContact O-CG 3.22Å; S859-P863 WeakPolarHBondContact OG-CD 3.47Å
864	E	61.6	Low	68.9	Low	49 Å²	49	26.9 Å²	26.9	23%	0.229	13%	0.134	C	C	.	.			trans	-133.6	110.3	-179.3	-69.7	167.2	112.4	0	0	108.1	M914 I948 R949	E864-M914 HydrophobicContact CB-CE 4.27Å; E864-M914 HydrophobicContact CG-CE 4.39Å; E864-I948 WeakPolarHBondContact O-CA 3.25Å; E864-R949 HydrophobicContact CB-CB 4.37Å; E864-R949 VanDerWaalsContact CD-NH1 3.31Å; E864-R949 PolarHBondContact O-N 2.54Å; E864-R949 IonicContact OE1-NH1 3.91Å; E864-R949 PolarHBondContact OE1-NH1 3.07Å; E864-R949 WeakPolarHBondContact OE2-CD 3.36Å; E864-R949 IonicContact OE2-CZ 2.64Å; E864-R949 IonicContact OE2-NE 3.63Å; E864-R949 IonicContact OE2-NH1 3.51Å; E864-R949 PolarHBondContact OE2-NH1 2.9Å
865	L	72.9	Confident	67.4	Low	17 Å²	17	28.7 Å²	28.7	9%	0.089	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	141.8	156.9	-118.1	-169.8	0	0	0	108.8	L802 C854 V856 M914 C946 L947	L802-L865 HydrophobicContact CD1-CD2 3.4Å; L802-L865 VanDerWaalsContact CD1-CD2 3.4Å; L802-L865 HydrophobicContact CG-CD2 4.11Å; C854-L865 VanDerWaalsContact SG-CD2 3.59Å; V856-L865 HydrophobicContact CB-CB 4.35Å; V856-L865 HydrophobicContact CB-CD1 3.8Å; V856-L865 HydrophobicContact CB-CG 3.65Å; V856-L865 HydrophobicContact CG1-CB 3.55Å; V856-L865 HydrophobicContact CG1-CD1 3.59Å; V856-L865 HydrophobicContact CG1-CG 3.38Å; V856-L865 HydrophobicContact CG2-CG 4.41Å; L865-M914 HydrophobicContact CB-CG 3.5Å; L865-M914 VanDerWaalsContact CB-CG 3.5Å; L865-M914 HydrophobicContact CB-SD 3.68Å; L865-M914 PolarHBondContact N-SD 2.69Å; L865-C946 WeakPolarHBondContact CD2-SG 2.93Å; L865-L947 CarbonylContact C-O 3.43Å; L865-L947 WeakPolarHBondContact CA-O 3.5Å; L865-L947 VanDerWaalsContact CD2-O 3.26Å; L865-L947 WeakPolarHBondContact CD2-O 3.15Å
866	E	72.5	Confident	66.3	Low	25 Å²	25	29.8 Å²	29.8	12%	0.117	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	90.2	-164.4	-168	169.9	-108.2	0	0	108.1	Q868 H908 C946 L947 R949	E866-Q868 HydrophobicContact CG-CG 4.07Å; E866-Q868 PolarHBondContact OE2-NE2 2.9Å; E866-H908 WeakPolarHBondContact CG-ND1 3.31Å; E866-H908 IonicContact OE1-CE1 3.67Å; E866-H908 PolarHBondContact OE1-CE1 3.34Å; E866-H908 IonicContact OE1-ND1 3.26Å; E866-H908 PolarHBondContact OE1-ND1 2.83Å; E866-H908 IonicContact OE2-CE1 2.72Å; E866-H908 PolarHBondContact OE2-CE1 2.87Å; E866-H908 IonicContact OE2-ND1 2.96Å; E866-H908 PolarHBondContact OE2-ND1 2.68Å; E866-C946 CarbonylContact O-C 3.51Å; E866-C946 WeakPolarHBondContact O-CA 3.42Å; E866-L947 HydrophobicContact CB-CD1 4.03Å; E866-L947 HydrophobicContact CB-CG 4.17Å; E866-L947 WeakPolarHBondContact CB-O 3.4Å; E866-L947 HydrophobicContact CG-CD1 4.48Å; E866-L947 PolarHBondContact N-O 2.89Å; E866-L947 PolarHBondContact O-N 2.92Å; E866-L947 VanDerWaalsContact OE2-CD1 3.29Å; E866-L947 WeakPolarHBondContact OE2-CD1 3.46Å; E866-R949 IonicContact OE1-NE 2.76Å; E866-R949 IonicContact OE1-NH2 3.09Å
867	W	82.7	Confident	65.4	Low	2 Å²	2	29.8 Å²	29.8	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	150.3	163.4	-68.1	83.5	0	0	0	108.8	I804 L852 M853 C854 H908 L909 S929 L931 L944 E945 C946	I804-W867 HydrophobicContact CD1-CE3 4.16Å; I804-W867 HydrophobicContact CD1-CH2 4.34Å; I804-W867 HydrophobicContact CD1-CZ3 3.71Å; I804-W867 HydrophobicContact CG1-CH2 4.03Å; I804-W867 HydrophobicContact CG1-CZ3 3.91Å; I804-W867 HydrophobicContact CG2-CH2 4.12Å; I804-W867 HydrophobicContact CG2-CZ3 4.16Å; L852-W867 HydrophobicContact CB-CH2 3.83Å; L852-W867 HydrophobicContact CB-CZ3 4.38Å; M853-W867 VanDerWaalsContact C-CZ2 3.46Å; C854-W867 HydrophobicContact CB-CD2 4.3Å; C854-W867 VanDerWaalsContact CB-CE2 3.41Å; C854-W867 HydrophobicContact CB-CH2 4.19Å; C854-W867 HydrophobicContact CB-CZ2 3.38Å; W867-H908 CarbonylContact O-C 3.6Å; W867-H908 VanDerWaalsContact O-C 3.29Å; W867-H908 WeakPolarHBondContact O-CA 3.37Å; W867-L909 HydrophobicContact CB-CB 3.43Å; W867-L909 VanDerWaalsContact CB-CB 3.43Å; W867-L909 VanDerWaalsContact CB-O 3.32Å; W867-L909 WeakPolarHBondContact CB-O 3.3Å; W867-L909 HydrophobicContact CG-CB 4.48Å; W867-L909 PolarHBondContact N-O 2.66Å; W867-L909 PolarHBondContact O-N 2.55Å; W867-S929 VanDerWaalsContact CZ2-O 3.31Å; W867-S929 WeakPolarHBondContact CZ2-O 3.32Å; W867-S929 PolarHBondContact NE1-O 3.2Å; W867-S929 PolarHBondContact NE1-OG 3.4Å; W867-L931 HydrophobicContact CD2-CB 4.19Å; W867-L931 HydrophobicContact CD2-CD2 3.94Å; W867-L931 HydrophobicContact CE3-CB 4.34Å; W867-L931 HydrophobicContact CE3-CD2 3.47Å; W867-L931 VanDerWaalsContact CE3-CD2 3.47Å; W867-L931 HydrophobicContact CH2-CB 3.82Å; W867-L931 HydrophobicContact CH2-CD2 4.04Å; W867-L931 HydrophobicContact CZ2-CB 3.58Å; W867-L931 HydrophobicContact CZ2-CD2 4.4Å; W867-L931 HydrophobicContact CZ3-CB 4.19Å; W867-L931 HydrophobicContact CZ3-CD2 3.55Å; W867-L944 HydrophobicContact CZ3-CD2 4.18Å; W867-E945 CarbonylContact C-O 3.38Å; W867-E945 WeakPolarHBondContact CA-O 3.42Å; W867-E945 WeakPolarHBondContact CB-O 3.48Å; W867-C946 HydrophobicContact CD2-CB 3.91Å; W867-C946 HydrophobicContact CE3-CB 4.05Å; W867-C946 HydrophobicContact CG-CB 4.13Å
868	Q	80.3	Confident	64.8	Low	19 Å²	19	28 Å²	28	9%	0.089	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	99.1	180	-58.8	-176.3	-1.2	0	0	111	E866 N870 T906 I907 H908 L944 E945 L947	E866-Q868 HydrophobicContact CG-CG 4.07Å; E866-Q868 PolarHBondContact OE2-NE2 2.9Å; Q868-N870 PolarHBondContact O-N 2.99Å; Q868-T906 HydrophobicContact CB-CG2 3.67Å; Q868-T906 HydrophobicContact CG-CG2 3.86Å; Q868-T906 VanDerWaalsContact OE1-CG2 3.24Å; Q868-I907 CarbonylContact C-O 3.48Å; Q868-I907 WeakPolarHBondContact CA-O 3.44Å; Q868-H908 PolarHBondContact NE2-CE1 2.88Å; Q868-L944 CarbonylContact O-C 3.58Å; Q868-L944 WeakPolarHBondContact O-CA 3.29Å; Q868-E945 HydrophobicContact CB-CB 4.1Å; Q868-E945 PolarHBondContact N-O 2.85Å; Q868-E945 PolarHBondContact O-N 2.82Å; Q868-L947 VanDerWaalsContact NE2-CD2 3.33Å
869	L	83.4	Confident	64.4	Low	5 Å²	5	28.1 Å²	28.1	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	108.7	162.9	-180	84.2	0	0	0	107.5	H871 T906 I907 L909 D942 L943 L944 L992	L869-H871 HydrophobicContact CD2-CB 3.96Å; L869-H871 HydrophobicContact CG-CB 4.19Å; L869-H871 PolarHBondContact O-N 3.27Å; L869-T906 CarbonylContact O-C 3.23Å; L869-I907 HydrophobicContact CB-CB 4.25Å; L869-I907 HydrophobicContact CD2-CD1 4.41Å; L869-I907 PolarHBondContact N-O 3.16Å; L869-I907 WeakPolarHBondContact O-CA 3.49Å; L869-I907 WeakPolarHBondContact O-CB 3.24Å; L869-I907 PolarHBondContact O-N 3.03Å; L869-L909 HydrophobicContact CB-CD1 3.58Å; L869-L909 HydrophobicContact CB-CD2 4.29Å; L869-L909 HydrophobicContact CB-CG 3.62Å; L869-D942 HydrophobicContact CD1-CB 3.55Å; L869-D942 HydrophobicContact CG-CB 4.11Å; L869-L943 CarbonylContact C-O 3.47Å; L869-L943 VanDerWaalsContact C-O 3.31Å; L869-L943 WeakPolarHBondContact CA-O 3.24Å; L869-L943 WeakPolarHBondContact CD1-O 3.4Å; L869-L944 HydrophobicContact CB-CD1 4.02Å; L869-L944 HydrophobicContact CD1-CD1 3.36Å; L869-L944 HydrophobicContact CG-CD1 4.3Å; L869-L992 HydrophobicContact CD1-CD1 4.29Å
870	N	79.2	Confident	64	Low	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	83.5	163.6	-53.7	-89.6	0	0	0	108	Y830 Y834 Q868 C872 Q905 T906 L943 E945	Y830-N870 HydrophobicContact CE1-CB 4.09Å; Y830-N870 WeakPolarHBondContact OH-CB 3.48Å; Y830-N870 PolarHBondContact OH-O 2.76Å; Y834-N870 PolarHBondContact OH-ND2 3.25Å; Y834-N870 PolarHBondContact OH-OD1 3.37Å; Q868-N870 PolarHBondContact O-N 2.99Å; N870-C872 PolarHBondContact O-N 2.89Å; N870-Q905 CarbonylContact C-O 2.94Å; N870-Q905 WeakPolarHBondContact CA-O 3.34Å; N870-T906 PolarHBondContact OD1-OG1 2.69Å; N870-L943 HydrophobicContact CB-CB 4.14Å; N870-L943 PolarHBondContact N-O 2.78Å; N870-L943 PolarHBondContact O-N 2.88Å; N870-E945 PolarHBondContact ND2-OE1 3.04Å
871	H	74.8	Confident	64	Low	26 Å²	26	30.3 Å²	30.3	12%	0.12	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	116.1	177.2	-175.1	46.6	0	0	0	109	L869 P873 C904 Q905 I907 T938 D942	L869-H871 HydrophobicContact CD2-CB 3.96Å; L869-H871 HydrophobicContact CG-CB 4.19Å; L869-H871 PolarHBondContact O-N 3.27Å; H871-P873 WeakPolarHBondContact O-CD 3.5Å; H871-C904 CarbonylContact O-C 3.5Å; H871-C904 VanDerWaalsContact O-CA 3.27Å; H871-C904 WeakPolarHBondContact O-CA 3.42Å; H871-C904 WeakPolarHBondContact O-CB 3.36Å; H871-Q905 WeakPolarHBondContact CB-O 3.44Å; H871-Q905 PolarHBondContact N-O 2.89Å; H871-Q905 PolarHBondContact O-N 3.39Å; H871-I907 HydrophobicContact CB-CD1 3.54Å; H871-I907 HydrophobicContact CB-CG1 3.84Å; H871-T938 PolarHBondContact CE1-O 2.98Å; H871-T938 VanDerWaalsContact CE1-O 3.27Å; H871-D942 VanDerWaalsContact CA-OD1 3.28Å; H871-D942 WeakPolarHBondContact CA-OD1 3.49Å; H871-D942 IonicContact CE1-OD1 3.9Å; H871-D942 IonicContact CE1-OD2 3.46Å; H871-D942 IonicContact CG-OD1 2.9Å; H871-D942 IonicContact CG-OD2 2.61Å; H871-D942 VanDerWaalsContact ND1-CG 3.26Å; H871-D942 IonicContact ND1-OD1 2.75Å; H871-D942 PolarHBondContact ND1-OD1 3.39Å; H871-D942 IonicContact ND1-OD2 2.73Å; H871-D942 PolarHBondContact ND1-OD2 2.74Å
872	C	67.1	Low	63.9	Low	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.			trans	-112.3	85.9	173.9	-79.3	0	0	0	0	107.5	I826 Y830 N870 P874 F900 F901 C904 D942	I826-C872 HydrophobicContact CD1-CB 4.36Å; Y830-C872 PolarHBondContact OH-SG 2.88Å; N870-C872 PolarHBondContact O-N 2.89Å; C872-P874 VanDerWaalsContact O-CD 3.28Å; C872-P874 WeakPolarHBondContact O-CD 3.32Å; C872-F900 HydrophobicContact CB-CE1 4.37Å; C872-F901 WeakPolarHBondContact SG-CD1 3.25Å; C872-C904 WeakPolarHBondContact CA-SG 3.4Å; C872-C904 HydrophobicContact CB-CB 4.13Å; C872-C904 WeakPolarHBondContact CB-SG 3.35Å; C872-C904 WeakPolarHBondContact SG-CB 3.41Å; C872-C904 CovalentContact SG-SG 2.04Å; C872-C904 PolarHBondContact SG-SG 2.95Å; C872-D942 PolarHBondContact N-OD1 3.04Å
873	P	57.1	Low	63.5	Low	15 Å²	15	31.8 Å²	31.8	10%	0.097	17%	0.17	C	C	.	.			trans	-57.8	119.6	-171.4	-14.3	22.2	0	0	0	108.9	H871 V875 Q876 L877	H871-P873 WeakPolarHBondContact O-CD 3.5Å; P873-V875 PolarHBondContact O-N 2.87Å; P873-V875 VanDerWaalsContact O-N 3.07Å; P873-Q876 HydrophobicContact CB-CB 4.06Å; P873-Q876 HydrophobicContact CB-CG 3.96Å; P873-Q876 HydrophobicContact CG-CB 4.2Å; P873-Q876 HydrophobicContact CG-CG 3.94Å; P873-Q876 CarbonylContact O-C 3.49Å; P873-Q876 WeakPolarHBondContact O-CA 3.17Å; P873-Q876 WeakPolarHBondContact O-CB 3.45Å; P873-Q876 PolarHBondContact O-N 3Å; P873-L877 PolarHBondContact O-N 2.93Å
874	P	55.6	Low	63.1	Low	11 Å²	11	33.4 Å²	33.4	7%	0.071	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-24.6	-178.6	21.7	-32.5	0	0	0	111.3	C872 L877 A878 D940	C872-P874 VanDerWaalsContact O-CD 3.28Å; C872-P874 WeakPolarHBondContact O-CD 3.32Å; P874-L877 PolarHBondContact O-N 2.78Å; P874-A878 WeakPolarHBondContact O-CB 3.34Å; P874-A878 PolarHBondContact O-N 3.26Å; P874-D940 HydrophobicContact CG-CB 4.42Å
875	V	52.1	Low	62.5	Low	37 Å²	37	36.5 Å²	36.5	22%	0.224	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-42.2	169.3	-164.1	0	0	0	0	112.4	P873 S879 L1001 I1041	P873-V875 PolarHBondContact O-N 2.87Å; P873-V875 VanDerWaalsContact O-N 3.07Å; V875-S879 WeakPolarHBondContact O-CB 3.37Å; V875-S879 PolarHBondContact O-N 3.26Å; V875-S879 VanDerWaalsContact O-N 3.07Å; V875-S879 PolarHBondContact O-OG 3.44Å; V875-L1001 HydrophobicContact CG1-CB 4.38Å; V875-L1001 HydrophobicContact CG2-CB 4.44Å; V875-L1001 HydrophobicContact CG2-CD1 3.75Å; V875-L1001 HydrophobicContact CG2-CD2 4.24Å; V875-L1001 HydrophobicContact CG2-CG 4.36Å; V875-I1041 HydrophobicContact CB-CD1 4.23Å; V875-I1041 HydrophobicContact CG1-CD1 4.02Å; V875-I1041 HydrophobicContact CG2-CD1 3.95Å
876	Q	55.8	Low	61.1	Low	92 Å²	92	42.5 Å²	42.5	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-71.6	-38.8	173.4	-69.9	-166.7	22.4	0	0	110.5	P873 S879 F880 F900	P873-Q876 HydrophobicContact CB-CB 4.06Å; P873-Q876 HydrophobicContact CB-CG 3.96Å; P873-Q876 HydrophobicContact CG-CB 4.2Å; P873-Q876 HydrophobicContact CG-CG 3.94Å; P873-Q876 CarbonylContact O-C 3.49Å; P873-Q876 WeakPolarHBondContact O-CA 3.17Å; P873-Q876 WeakPolarHBondContact O-CB 3.45Å; P873-Q876 PolarHBondContact O-N 3Å; Q876-S879 WeakPolarHBondContact CA-OG 3.34Å; Q876-S879 PolarHBondContact O-N 3.47Å; Q876-S879 PolarHBondContact O-OG 2.91Å; Q876-F880 WeakPolarHBondContact O-CA 3.37Å; Q876-F880 WeakPolarHBondContact O-CB 3.3Å; Q876-F880 PolarHBondContact O-N 3.34Å; Q876-F900 HydrophobicContact CB-CE2 3.85Å; Q876-F900 HydrophobicContact CB-CZ 4.21Å
877	L	57	Low	60	Low	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-47.1	176.6	-175.4	55.7	0	0	0	111.7	E822 I826 P873 P874 S879 F880 V881 F900	E822-L877 HydrophobicContact CB-CD2 3.89Å; E822-L877 WeakPolarHBondContact O-CD2 3.39Å; I826-L877 HydrophobicContact CD1-CD2 3.79Å; I826-L877 HydrophobicContact CG1-CD2 3.81Å; P873-L877 PolarHBondContact O-N 2.93Å; P874-L877 PolarHBondContact O-N 2.78Å; L877-S879 PolarHBondContact O-N 3.5Å; L877-F880 PolarHBondContact O-N 3.48Å; L877-V881 HydrophobicContact CD1-CG2 4.11Å; L877-V881 WeakPolarHBondContact O-CB 3.4Å; L877-V881 VanDerWaalsContact O-CG2 3.27Å; L877-V881 WeakPolarHBondContact O-CG2 3.44Å; L877-V881 PolarHBondContact O-N 2.86Å; L877-F900 VanDerWaalsContact CA-CZ 3.48Å; L877-F900 HydrophobicContact CB-CE1 3.94Å; L877-F900 HydrophobicContact CB-CE2 4.21Å; L877-F900 HydrophobicContact CB-CZ 3.57Å; L877-F900 HydrophobicContact CD1-CD1 3.9Å; L877-F900 HydrophobicContact CD1-CE1 3.76Å; L877-F900 HydrophobicContact CD1-CE2 4.43Å; L877-F900 HydrophobicContact CD1-CG 4.31Å; L877-F900 HydrophobicContact CD1-CZ 4.06Å; L877-F900 HydrophobicContact CG-CE1 4.3Å; L877-F900 HydrophobicContact CG-CZ 4.36Å
878	A	54.7	Low	58.2	Low	27 Å²	27	49.3 Å²	49.3	22%	0.223	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-41.7	177.2	0	0	0	0	0	112.7	P874 R882	P874-A878 WeakPolarHBondContact O-CB 3.34Å; P874-A878 PolarHBondContact O-N 3.26Å; A878-R882 PolarHBondContact O-N 3.49Å
879	S	51.7	Low	56.5	Low	71 Å²	71	55.3 Å²	55.3	50%	0.497	30%	0.3	S	S	.	.	H	α-helix	trans	-76.6	-24	177.3	57.5	0	0	0	0	113.7	V875 Q876 L877 G883	V875-S879 WeakPolarHBondContact O-CB 3.37Å; V875-S879 PolarHBondContact O-N 3.26Å; V875-S879 VanDerWaalsContact O-N 3.07Å; V875-S879 PolarHBondContact O-OG 3.44Å; Q876-S879 WeakPolarHBondContact CA-OG 3.34Å; Q876-S879 PolarHBondContact O-N 3.47Å; Q876-S879 PolarHBondContact O-OG 2.91Å; L877-S879 PolarHBondContact O-N 3.5Å; S879-G883 WeakPolarHBondContact O-CA 3.29Å; S879-G883 PolarHBondContact O-N 2.84Å
880	F	53.6	Low	54.3	Low	56 Å²	56	62.3 Å²	62.3	25%	0.246	34%	0.337	C	S	.	.	H	α-helix	trans	-76.3	-39.6	170.7	-175.1	-100.8	0	0	0	111.4	Q876 L877 R882 G883 I884 P896 F900	Q876-F880 WeakPolarHBondContact O-CA 3.37Å; Q876-F880 WeakPolarHBondContact O-CB 3.3Å; Q876-F880 PolarHBondContact O-N 3.34Å; L877-F880 PolarHBondContact O-N 3.48Å; F880-R882 VanDerWaalsContact C-N 3.35Å; F880-R882 PolarHBondContact O-N 2.79Å; F880-G883 CarbonylContact O-C 3.58Å; F880-G883 PolarHBondContact O-N 2.91Å; F880-G883 VanDerWaalsContact O-N 3.15Å; F880-I884 HydrophobicContact CD1-CD1 3.59Å; F880-I884 HydrophobicContact CD1-CG1 4.21Å; F880-I884 HydrophobicContact CE1-CD1 3.38Å; F880-I884 HydrophobicContact CE1-CG1 3.97Å; F880-I884 HydrophobicContact CG-CD1 4.49Å; F880-I884 HydrophobicContact CZ-CD1 4.15Å; F880-I884 HydrophobicContact CZ-CG1 4.29Å; F880-I884 VanDerWaalsContact O-CG1 3.29Å; F880-I884 WeakPolarHBondContact O-CG1 3.4Å; F880-I884 PolarHBondContact O-N 2.88Å; F880-P896 HydrophobicContact CE1-CB 4.29Å; F880-P896 WeakPolarHBondContact CE1-O 3.37Å; F880-P896 HydrophobicContact CZ-CB 4.2Å; F880-P896 WeakPolarHBondContact CZ-O 3.46Å; F880-F900 HydrophobicContact CB-CD2 3.76Å; F880-F900 HydrophobicContact CB-CE2 4.03Å; F880-F900 HydrophobicContact CD1-CB 3.82Å; F880-F900 AromaticContact CD1-CD2 3.68Å; F880-F900 HydrophobicContact CD1-CD2 3.68Å; F880-F900 AromaticContact CD1-CG 3.98Å; F880-F900 HydrophobicContact CD1-CG 3.98Å; F880-F900 HydrophobicContact CD2-CD2 4.16Å; F880-F900 HydrophobicContact CE1-CB 3.59Å; F880-F900 HydrophobicContact CE1-CD2 4.29Å; F880-F900 HydrophobicContact CE1-CG 4.27Å; F880-F900 HydrophobicContact CG-CB 4.43Å; F880-F900 AromaticContact CG-CD2 3.61Å; F880-F900 HydrophobicContact CG-CD2 3.61Å; F880-F900 HydrophobicContact CG-CE2 4.38Å; F880-F900 HydrophobicContact CG-CG 4.36Å; F880-F900 HydrophobicContact CZ-CB 4.03Å
881	V	57.9	Low	52.1	Low	51 Å²	51	69.7 Å²	69.7	31%	0.309	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-36.7	172.4	169	0	0	0	0	111.6	L877 N885	L877-V881 HydrophobicContact CD1-CG2 4.11Å; L877-V881 WeakPolarHBondContact O-CB 3.4Å; L877-V881 VanDerWaalsContact O-CG2 3.27Å; L877-V881 WeakPolarHBondContact O-CG2 3.44Å; L877-V881 PolarHBondContact O-N 2.86Å; V881-N885 PolarHBondContact O-N 2.82Å; V881-N885 PolarHBondContact O-ND2 3.04Å
882	R	53.3	Low	50.1	Low	134 Å²	134	78 Å²	78	51%	0.506	41%	0.41	S	S	.	.	H	α-helix	trans	-67.7	-44.5	166.2	-75.3	-169.4	178.9	-175.7	2.8	112.2	A878 F880 I884 N885 D886 E1039	A878-R882 PolarHBondContact O-N 3.49Å; F880-R882 VanDerWaalsContact C-N 3.35Å; F880-R882 PolarHBondContact O-N 2.79Å; R882-I884 VanDerWaalsContact C-N 3.32Å; R882-I884 PolarHBondContact O-N 3.27Å; R882-N885 WeakPolarHBondContact O-CA 3.44Å; R882-N885 WeakPolarHBondContact O-CB 3.29Å; R882-N885 PolarHBondContact O-N 2.82Å; R882-D886 PolarHBondContact O-N 2.82Å; R882-E1039 IonicContact CZ-OE1 3.42Å; R882-E1039 IonicContact CZ-OE2 2.67Å; R882-E1039 IonicContact NH1-OE2 2.71Å; R882-E1039 PolarHBondContact NH1-OE2 3.26Å; R882-E1039 IonicContact NH2-OE1 3.48Å; R882-E1039 PolarHBondContact NH2-OE1 2.72Å; R882-E1039 IonicContact NH2-OE2 3.24Å; R882-E1039 PolarHBondContact NH2-OE2 3.07Å
883	G	48.6	Very low	48.7	Very low	26 Å²	26	82.9 Å²	82.9	27%	0.268	44%	0.444	S	S	.	.	H	α-helix	trans	-58.1	-41.2	179.1	0	0	0	0	0	113	S879 F880 N885 D886 T887	S879-G883 WeakPolarHBondContact O-CA 3.29Å; S879-G883 PolarHBondContact O-N 2.84Å; F880-G883 CarbonylContact O-C 3.58Å; F880-G883 PolarHBondContact O-N 2.91Å; F880-G883 VanDerWaalsContact O-N 3.15Å; G883-N885 PolarHBondContact O-N 3.46Å; G883-D886 PolarHBondContact O-N 2.75Å; G883-T887 WeakPolarHBondContact O-CB 3.34Å; G883-T887 WeakPolarHBondContact O-CG2 3.47Å; G883-T887 PolarHBondContact O-N 2.74Å; G883-T887 PolarHBondContact O-OG1 2.87Å
884	I	52.4	Low	48.1	Very low	36 Å²	36	89.6 Å²	89.6	19%	0.185	48%	0.478	C	S	.	.	H	α-helix	trans	-57.1	-49.1	171.3	-72	160.8	0	0	0	109.9	F880 R882 D886 T887 I888 P896	F880-I884 HydrophobicContact CD1-CD1 3.59Å; F880-I884 HydrophobicContact CD1-CG1 4.21Å; F880-I884 HydrophobicContact CE1-CD1 3.38Å; F880-I884 HydrophobicContact CE1-CG1 3.97Å; F880-I884 HydrophobicContact CG-CD1 4.49Å; F880-I884 HydrophobicContact CZ-CD1 4.15Å; F880-I884 HydrophobicContact CZ-CG1 4.29Å; F880-I884 VanDerWaalsContact O-CG1 3.29Å; F880-I884 WeakPolarHBondContact O-CG1 3.4Å; F880-I884 PolarHBondContact O-N 2.88Å; R882-I884 VanDerWaalsContact C-N 3.32Å; R882-I884 PolarHBondContact O-N 3.27Å; I884-D886 VanDerWaalsContact C-N 3.28Å; I884-D886 PolarHBondContact O-N 3.14Å; I884-T887 CarbonylContact O-C 3.59Å; I884-T887 PolarHBondContact O-N 3.39Å; I884-I888 HydrophobicContact CG2-CD1 3.9Å; I884-I888 HydrophobicContact CG2-CG1 3.89Å; I884-I888 WeakPolarHBondContact O-CA 3.27Å; I884-I888 VanDerWaalsContact O-CB 3.24Å; I884-I888 WeakPolarHBondContact O-CB 3.39Å; I884-I888 VanDerWaalsContact O-CG1 3.29Å; I884-I888 WeakPolarHBondContact O-CG1 3.03Å; I884-I888 PolarHBondContact O-N 3.4Å; I884-P896 HydrophobicContact CD1-CB 4.32Å
885	N	49.8	Very low	48.1	Very low	114 Å²	114	93 Å²	93	61%	0.61	50%	0.496	S	S	*	.	H	α-helix	trans	-62.4	-33.5	-179	-74.9	-26.7	0	0	0	113.1	V881 R882 G883	V881-N885 PolarHBondContact O-N 2.82Å; V881-N885 PolarHBondContact O-ND2 3.04Å; R882-N885 WeakPolarHBondContact O-CA 3.44Å; R882-N885 WeakPolarHBondContact O-CB 3.29Å; R882-N885 PolarHBondContact O-N 2.82Å; G883-N885 PolarHBondContact O-N 3.46Å
886	D	44.5	Very low	48	Very low	144 Å²	144	94 Å²	94	77%	0.77	50%	0.503	S	S	*	.	H	α-helix	trans	-83.8	-21.6	175.4	-71.1	-33.1	0	0	0	113.8	R882 G883 I884	R882-D886 PolarHBondContact O-N 2.82Å; G883-D886 PolarHBondContact O-N 2.75Å; I884-D886 VanDerWaalsContact C-N 3.28Å; I884-D886 PolarHBondContact O-N 3.14Å
887	T	48.3	Very low	48.2	Very low	60 Å²	60	93.7 Å²	93.7	37%	0.368	50%	0.499	S	S	.	.	H	α-helix	trans	-114.1	7.8	-175.8	63.6	0	0	0	0	115.2	G883 I884 N889 D890	G883-T887 WeakPolarHBondContact O-CB 3.34Å; G883-T887 WeakPolarHBondContact O-CG2 3.47Å; G883-T887 PolarHBondContact O-N 2.74Å; G883-T887 PolarHBondContact O-OG1 2.87Å; I884-T887 CarbonylContact O-C 3.59Å; I884-T887 PolarHBondContact O-N 3.39Å; T887-N889 PolarHBondContact O-N 3.29Å; T887-D890 PolarHBondContact O-N 3.3Å
888	I	45.4	Very low	48.4	Very low	109 Å²	109	95.8 Å²	95.8	56%	0.559	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-13.7	-176.5	-115.9	165.9	0	0	0	114.9	I884	I884-I888 HydrophobicContact CG2-CD1 3.9Å; I884-I888 HydrophobicContact CG2-CG1 3.89Å; I884-I888 WeakPolarHBondContact O-CA 3.27Å; I884-I888 VanDerWaalsContact O-CB 3.24Å; I884-I888 WeakPolarHBondContact O-CB 3.39Å; I884-I888 VanDerWaalsContact O-CG1 3.29Å; I884-I888 WeakPolarHBondContact O-CG1 3.03Å; I884-I888 PolarHBondContact O-N 3.4Å
889	N	43.6	Very low	48.4	Very low	146 Å²	146	97 Å²	97	78%	0.781	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-19.2	179.2	-65	-61.6	0	0	0	114.9	T887	T887-N889 PolarHBondContact O-N 3.29Å
890	D	38.6	Very low	48.8	Very low	151 Å²	151	93.7 Å²	93.7	81%	0.807	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-15.8	-170.2	-80.1	-39.4	0	0	0	115.5	T887	T887-D890 PolarHBondContact O-N 3.3Å
891	M	32.2	Very low	49.4	Very low	157 Å²	157	91.2 Å²	91.2	77%	0.773	49%	0.486	S	S	*	.			trans	-99.5	112.3	-179.9	-69.8	-163.6	175.8	0	0	113.6
892	K	33.9	Very low	49.5	Very low	201 Å²	201	95.9 Å²	95.9	87%	0.874	50%	0.502	S	S	*	.			trans	-128.1	86.1	171.4	-76.1	-174.9	176.9	178.2	0	112.5
893	S	37.7	Very low	49.8	Very low	102 Å²	102	92.2 Å²	92.2	71%	0.713	50%	0.497	S	S	*	.	S	Bend	trans	178.3	134	138.9	40.2	0	0	0	0	111.9
894	N	44.3	Very low	50.7	Low	155 Å²	155	91.3 Å²	91.3	83%	0.829	49%	0.487	S	S	*	.	S	Bend	trans	59.7	164.9	174.8	-61.1	-13.2	0	0	0	116
895	D	54.3	Low	51.2	Low	82 Å²	82	95.3 Å²	95.3	44%	0.439	51%	0.505	S	S	.	.			trans	-62.6	120.4	-159.7	-179	-1.4	0	0	0	112.2	Y897 D898 A899	D895-Y897 PolarHBondContact O-N 2.59Å; D895-Y897 WeakPolarHBondContact OD1-CB 3.47Å; D895-Y897 WeakPolarHBondContact OD1-CD2 3.47Å; D895-Y897 PolarHBondContact OD1-N 2.92Å; D895-D898 HydrophobicContact CB-CB 3.86Å; D895-D898 PolarHBondContact O-N 2.96Å; D895-D898 VanDerWaalsContact O-N 3.14Å; D895-A899 PolarHBondContact O-N 3.08Å
896	P	50.8	Low	52.1	Low	58 Å²	58	92 Å²	92	38%	0.377	49%	0.489	S	S	.	.	H	α-helix	trans	-63.6	-25.7	178.4	27.6	-35.8	0	0	0	112.3	F880 I884 F900	F880-P896 HydrophobicContact CE1-CB 4.29Å; F880-P896 WeakPolarHBondContact CE1-O 3.37Å; F880-P896 HydrophobicContact CZ-CB 4.2Å; F880-P896 WeakPolarHBondContact CZ-O 3.46Å; I884-P896 HydrophobicContact CD1-CB 4.32Å; P896-F900 WeakPolarHBondContact O-CB 3.37Å; P896-F900 PolarHBondContact O-N 3.16Å
897	Y	59.7	Low	53.2	Low	86 Å²	86	87.6 Å²	87.6	34%	0.337	47%	0.465	S	S	.	.	H	α-helix	trans	-71.3	-43.9	172.6	-63.5	-69.4	0	0	0	111.1	I825 D895 A899 F900 F901	I825-Y897 HydrophobicContact CD1-CE1 4.1Å; I825-Y897 HydrophobicContact CG2-CD1 3.6Å; I825-Y897 HydrophobicContact CG2-CE1 3.72Å; I825-Y897 HydrophobicContact CG2-CG 4.29Å; D895-Y897 PolarHBondContact O-N 2.59Å; D895-Y897 WeakPolarHBondContact OD1-CB 3.47Å; D895-Y897 WeakPolarHBondContact OD1-CD2 3.47Å; D895-Y897 PolarHBondContact OD1-N 2.92Å; Y897-A899 VanDerWaalsContact C-N 3.28Å; Y897-A899 PolarHBondContact O-N 3.24Å; Y897-F900 CarbonylContact O-C 3.15Å; Y897-F900 WeakPolarHBondContact O-CA 3.3Å; Y897-F900 WeakPolarHBondContact O-CB 3.46Å; Y897-F900 PolarHBondContact O-N 3.25Å; Y897-F900 VanDerWaalsContact O-N 3.08Å; Y897-F901 WeakPolarHBondContact O-CB 3.37Å; Y897-F901 WeakPolarHBondContact O-CD2 3.44Å; Y897-F901 WeakPolarHBondContact O-CG 3.17Å; Y897-F901 PolarHBondContact O-N 3.5Å
898	D	60.5	Low	54.3	Low	45 Å²	45	89.5 Å²	89.5	24%	0.241	47%	0.469	C	S	.	.	H	α-helix	trans	-61.5	-36.5	172.7	179.9	40.7	0	0	0	111.5	Y829 D895 F901 K902	Y829-D898 HydrophobicContact CE2-CB 4.44Å; D895-D898 HydrophobicContact CB-CB 3.86Å; D895-D898 PolarHBondContact O-N 2.96Å; D895-D898 VanDerWaalsContact O-N 3.14Å; D898-F901 PolarHBondContact O-N 3.36Å; D898-K902 VanDerWaalsContact CG-NZ 3.25Å; D898-K902 VanDerWaalsContact O-CB 3.29Å; D898-K902 WeakPolarHBondContact O-CB 3.18Å; D898-K902 WeakPolarHBondContact O-CD 3.41Å; D898-K902 WeakPolarHBondContact O-CG 3.28Å; D898-K902 PolarHBondContact O-N 3.33Å; D898-K902 WeakPolarHBondContact OD1-CE 3.24Å; D898-K902 IonicContact OD1-NZ 3.65Å; D898-K902 PolarHBondContact OD1-NZ 2.71Å; D898-K902 WeakPolarHBondContact OD2-CE 3.32Å; D898-K902 IonicContact OD2-NZ 3.28Å; D898-K902 PolarHBondContact OD2-NZ 3.06Å
899	A	55.5	Low	55.4	Low	54 Å²	54	85.7 Å²	85.7	45%	0.446	45%	0.45	S	S	.	.	H	α-helix	trans	-62.7	-43.4	169.7	0	0	0	0	0	112.4	D895 Y897 K902 S903	D895-A899 PolarHBondContact O-N 3.08Å; Y897-A899 VanDerWaalsContact C-N 3.28Å; Y897-A899 PolarHBondContact O-N 3.24Å; A899-K902 PolarHBondContact O-N 3.29Å; A899-S903 PolarHBondContact O-N 2.91Å
900	F	60.8	Low	56.2	Low	1 Å²	1	83.8 Å²	83.8	0%	0.004	44%	0.444	C	S	.	.	H	α-helix	trans	-62.6	-45.9	173.8	-178.9	-98.8	0	0	0	112.2	C872 Q876 L877 F880 P896 Y897 K902 S903 C904	C872-F900 HydrophobicContact CB-CE1 4.37Å; Q876-F900 HydrophobicContact CB-CE2 3.85Å; Q876-F900 HydrophobicContact CB-CZ 4.21Å; L877-F900 VanDerWaalsContact CA-CZ 3.48Å; L877-F900 HydrophobicContact CB-CE1 3.94Å; L877-F900 HydrophobicContact CB-CE2 4.21Å; L877-F900 HydrophobicContact CB-CZ 3.57Å; L877-F900 HydrophobicContact CD1-CD1 3.9Å; L877-F900 HydrophobicContact CD1-CE1 3.76Å; L877-F900 HydrophobicContact CD1-CE2 4.43Å; L877-F900 HydrophobicContact CD1-CG 4.31Å; L877-F900 HydrophobicContact CD1-CZ 4.06Å; L877-F900 HydrophobicContact CG-CE1 4.3Å; L877-F900 HydrophobicContact CG-CZ 4.36Å; F880-F900 HydrophobicContact CB-CD2 3.76Å; F880-F900 HydrophobicContact CB-CE2 4.03Å; F880-F900 HydrophobicContact CD1-CB 3.82Å; F880-F900 AromaticContact CD1-CD2 3.68Å; F880-F900 HydrophobicContact CD1-CD2 3.68Å; F880-F900 AromaticContact CD1-CG 3.98Å; F880-F900 HydrophobicContact CD1-CG 3.98Å; F880-F900 HydrophobicContact CD2-CD2 4.16Å; F880-F900 HydrophobicContact CE1-CB 3.59Å; F880-F900 HydrophobicContact CE1-CD2 4.29Å; F880-F900 HydrophobicContact CE1-CG 4.27Å; F880-F900 HydrophobicContact CG-CB 4.43Å; F880-F900 AromaticContact CG-CD2 3.61Å; F880-F900 HydrophobicContact CG-CD2 3.61Å; F880-F900 HydrophobicContact CG-CE2 4.38Å; F880-F900 HydrophobicContact CG-CG 4.36Å; F880-F900 HydrophobicContact CZ-CB 4.03Å; P896-F900 WeakPolarHBondContact O-CB 3.37Å; P896-F900 PolarHBondContact O-N 3.16Å; Y897-F900 CarbonylContact O-C 3.15Å; Y897-F900 WeakPolarHBondContact O-CA 3.3Å; Y897-F900 WeakPolarHBondContact O-CB 3.46Å; Y897-F900 PolarHBondContact O-N 3.25Å; Y897-F900 VanDerWaalsContact O-N 3.08Å; F900-K902 PolarHBondContact O-N 2.86Å; F900-S903 CarbonylContact O-C 3.48Å; F900-S903 VanDerWaalsContact O-CA 3.28Å; F900-S903 WeakPolarHBondContact O-CA 3.5Å; F900-S903 WeakPolarHBondContact O-CB 3.39Å; F900-S903 PolarHBondContact O-N 2.74Å; F900-S903 PolarHBondContact O-OG 3.44Å; F900-C904 WeakPolarHBondContact CE1-SG 3.42Å; F900-C904 PolarHBondContact O-N 3.1Å
901	F	65	Low	57.3	Low	4 Å²	4	77.2 Å²	77.2	2%	0.018	41%	0.412	C	S	.	.	H	α-helix	trans	-77.6	-8.3	-179.3	-66.7	-64	0	0	0	114.1	I825 I826 Y829 C872 Y897 D898 C904	I825-F901 HydrophobicContact CG2-CE2 4.17Å; I825-F901 HydrophobicContact CG2-CZ 4.24Å; I826-F901 HydrophobicContact CB-CE1 4.04Å; I826-F901 HydrophobicContact CB-CZ 4.08Å; I826-F901 HydrophobicContact CG1-CE1 3.81Å; I826-F901 HydrophobicContact CG1-CZ 3.82Å; I826-F901 HydrophobicContact CG2-CE1 3.77Å; I826-F901 HydrophobicContact CG2-CZ 4.28Å; Y829-F901 HydrophobicContact CD1-CB 3.64Å; Y829-F901 AromaticContact CD1-CD1 3.83Å; Y829-F901 HydrophobicContact CD1-CD1 3.83Å; Y829-F901 AromaticContact CD1-CD2 3.64Å; Y829-F901 HydrophobicContact CD1-CD2 3.64Å; Y829-F901 HydrophobicContact CD1-CE1 4.49Å; Y829-F901 HydrophobicContact CD1-CE2 4.32Å; Y829-F901 AromaticContact CD1-CG 3.42Å; Y829-F901 HydrophobicContact CD1-CG 3.42Å; Y829-F901 VanDerWaalsContact CD1-CG 3.42Å; Y829-F901 HydrophobicContact CD2-CB 4.15Å; Y829-F901 AromaticContact CD2-CD2 3.48Å; Y829-F901 HydrophobicContact CD2-CD2 3.48Å; Y829-F901 VanDerWaalsContact CD2-CD2 3.48Å; Y829-F901 HydrophobicContact CD2-CE2 4.23Å; Y829-F901 HydrophobicContact CD2-CG 4Å; Y829-F901 HydrophobicContact CE1-CB 3.2Å; Y829-F901 HydrophobicContact CE1-CD1 4.18Å; Y829-F901 HydrophobicContact CE1-CD2 4.1Å; Y829-F901 AromaticContact CE1-CG 3.59Å; Y829-F901 HydrophobicContact CE1-CG 3.59Å; Y829-F901 HydrophobicContact CE2-CB 3.75Å; Y829-F901 AromaticContact CE2-CD2 3.94Å; Y829-F901 HydrophobicContact CE2-CD2 3.94Å; Y829-F901 HydrophobicContact CE2-CG 4.14Å; Y829-F901 HydrophobicContact CG-CB 4.09Å; Y829-F901 HydrophobicContact CG-CD1 4.3Å; Y829-F901 AromaticContact CG-CD2 3.3Å; Y829-F901 HydrophobicContact CG-CD2 3.3Å; Y829-F901 AromaticContact CG-CE2 3.82Å; Y829-F901 HydrophobicContact CG-CE2 3.82Å; Y829-F901 AromaticContact CG-CG 3.64Å; Y829-F901 HydrophobicContact CG-CG 3.64Å; Y829-F901 AromaticContact CZ-CG 3.92Å; C872-F901 WeakPolarHBondContact SG-CD1 3.25Å; Y897-F901 WeakPolarHBondContact O-CB 3.37Å; Y897-F901 WeakPolarHBondContact O-CD2 3.44Å; Y897-F901 WeakPolarHBondContact O-CG 3.17Å; Y897-F901 PolarHBondContact O-N 3.5Å; D898-F901 PolarHBondContact O-N 3.36Å; F901-C904 WeakPolarHBondContact CD1-SG 3.4Å
902	K	60.8	Low	58.6	Low	148 Å²	148	70.7 Å²	70.7	64%	0.643	38%	0.381	S	S	*	.	H	α-helix	trans	-86.7	-19.2	160	-75.1	164.4	178	164.2	0	113	D898 A899 F900	D898-K902 VanDerWaalsContact CG-NZ 3.25Å; D898-K902 VanDerWaalsContact O-CB 3.29Å; D898-K902 WeakPolarHBondContact O-CB 3.18Å; D898-K902 WeakPolarHBondContact O-CD 3.41Å; D898-K902 WeakPolarHBondContact O-CG 3.28Å; D898-K902 PolarHBondContact O-N 3.33Å; D898-K902 WeakPolarHBondContact OD1-CE 3.24Å; D898-K902 IonicContact OD1-NZ 3.65Å; D898-K902 PolarHBondContact OD1-NZ 2.71Å; D898-K902 WeakPolarHBondContact OD2-CE 3.32Å; D898-K902 IonicContact OD2-NZ 3.28Å; D898-K902 PolarHBondContact OD2-NZ 3.06Å; A899-K902 PolarHBondContact O-N 3.29Å; F900-K902 PolarHBondContact O-N 2.86Å
903	S	60	Low	59.6	Low	57 Å²	57	64.5 Å²	64.5	40%	0.399	35%	0.354	S	S	.	.	H	α-helix	trans	-87.5	-20.1	167.5	79.9	0	0	0	0	113.2	A899 F900 Q905	A899-S903 PolarHBondContact O-N 2.91Å; F900-S903 CarbonylContact O-C 3.48Å; F900-S903 VanDerWaalsContact O-CA 3.28Å; F900-S903 WeakPolarHBondContact O-CA 3.5Å; F900-S903 WeakPolarHBondContact O-CB 3.39Å; F900-S903 PolarHBondContact O-N 2.74Å; F900-S903 PolarHBondContact O-OG 3.44Å; S903-Q905 PolarHBondContact O-N 2.9Å; S903-Q905 VanDerWaalsContact O-N 3.11Å
904	C	67	Low	60.6	Low	7 Å²	7	62 Å²	62	5%	0.047	33%	0.332	C	S	.	.	S	Bend	trans	-55.9	119.5	165.3	-70.4	0	0	0	0	108.3	H871 C872 F900 F901 T906	H871-C904 CarbonylContact O-C 3.5Å; H871-C904 VanDerWaalsContact O-CA 3.27Å; H871-C904 WeakPolarHBondContact O-CA 3.42Å; H871-C904 WeakPolarHBondContact O-CB 3.36Å; C872-C904 WeakPolarHBondContact CA-SG 3.4Å; C872-C904 HydrophobicContact CB-CB 4.13Å; C872-C904 WeakPolarHBondContact CB-SG 3.35Å; C872-C904 WeakPolarHBondContact SG-CB 3.41Å; C872-C904 CovalentContact SG-SG 2.04Å; C872-C904 PolarHBondContact SG-SG 2.95Å; F900-C904 WeakPolarHBondContact CE1-SG 3.42Å; F900-C904 PolarHBondContact O-N 3.1Å; F901-C904 WeakPolarHBondContact CD1-SG 3.4Å; C904-T906 PolarHBondContact O-N 3.33Å
905	Q	61.9	Low	61.2	Low	120 Å²	120	58.2 Å²	58.2	56%	0.561	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	111.6	-173.5	-170.6	176.1	1.1	0	0	107.2	N870 H871 S903 I907	N870-Q905 CarbonylContact C-O 2.94Å; N870-Q905 WeakPolarHBondContact CA-O 3.34Å; H871-Q905 WeakPolarHBondContact CB-O 3.44Å; H871-Q905 PolarHBondContact N-O 2.89Å; H871-Q905 PolarHBondContact O-N 3.39Å; S903-Q905 PolarHBondContact O-N 2.9Å; S903-Q905 VanDerWaalsContact O-N 3.11Å; Q905-I907 HydrophobicContact CB-CG1 4.03Å; Q905-I907 HydrophobicContact CG-CG1 3.64Å; Q905-I907 PolarHBondContact O-N 3.26Å
906	T	69.8	Low	61.3	Low	46 Å²	46	57.5 Å²	57.5	28%	0.282	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	84.2	155.1	-52.7	0	0	0	0	106.5	Q868 L869 N870 C904 H908	Q868-T906 HydrophobicContact CB-CG2 3.67Å; Q868-T906 HydrophobicContact CG-CG2 3.86Å; Q868-T906 VanDerWaalsContact OE1-CG2 3.24Å; L869-T906 CarbonylContact O-C 3.23Å; N870-T906 PolarHBondContact OD1-OG1 2.69Å; C904-T906 PolarHBondContact O-N 3.33Å; T906-H908 PolarHBondContact O-CD2 2.81Å; T906-H908 PolarHBondContact O-N 2.74Å; T906-H908 VanDerWaalsContact O-N 3.11Å
907	I	67.9	Low	61.5	Low	50 Å²	50	57 Å²	57	26%	0.256	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	103.2	169.7	-68.2	-174.7	0	0	0	104.3	Q868 L869 H871 Q905 L909	Q868-I907 CarbonylContact C-O 3.48Å; Q868-I907 WeakPolarHBondContact CA-O 3.44Å; L869-I907 HydrophobicContact CB-CB 4.25Å; L869-I907 HydrophobicContact CD2-CD1 4.41Å; L869-I907 PolarHBondContact N-O 3.16Å; L869-I907 WeakPolarHBondContact O-CA 3.49Å; L869-I907 WeakPolarHBondContact O-CB 3.24Å; L869-I907 PolarHBondContact O-N 3.03Å; H871-I907 HydrophobicContact CB-CD1 3.54Å; H871-I907 HydrophobicContact CB-CG1 3.84Å; Q905-I907 HydrophobicContact CB-CG1 4.03Å; Q905-I907 HydrophobicContact CG-CG1 3.64Å; Q905-I907 PolarHBondContact O-N 3.26Å; I907-L909 VanDerWaalsContact C-N 3.25Å; I907-L909 HydrophobicContact CG2-CD2 4.25Å; I907-L909 HydrophobicContact CG2-CG 4.48Å; I907-L909 PolarHBondContact O-N 2.87Å
908	H	70.1	Confident	61	Low	100 Å²	100	56 Å²	56	46%	0.463	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	96.6	168.6	-68.6	-110	0	0	0	106.8	E866 W867 Q868 T906	E866-H908 WeakPolarHBondContact CG-ND1 3.31Å; E866-H908 IonicContact OE1-CE1 3.67Å; E866-H908 PolarHBondContact OE1-CE1 3.34Å; E866-H908 IonicContact OE1-ND1 3.26Å; E866-H908 PolarHBondContact OE1-ND1 2.83Å; E866-H908 IonicContact OE2-CE1 2.72Å; E866-H908 PolarHBondContact OE2-CE1 2.87Å; E866-H908 IonicContact OE2-ND1 2.96Å; E866-H908 PolarHBondContact OE2-ND1 2.68Å; W867-H908 CarbonylContact O-C 3.6Å; W867-H908 VanDerWaalsContact O-C 3.29Å; W867-H908 WeakPolarHBondContact O-CA 3.37Å; Q868-H908 PolarHBondContact NE2-CE1 2.88Å; T906-H908 PolarHBondContact O-CD2 2.81Å; T906-H908 PolarHBondContact O-N 2.74Å; T906-H908 VanDerWaalsContact O-N 3.11Å
909	L	69.4	Low	60.6	Low	30 Å²	30	56 Å²	56	16%	0.157	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.1	179	-85.5	179.8	0	0	0	108.2	W867 L869 I907 L931 L933 L944	W867-L909 HydrophobicContact CB-CB 3.43Å; W867-L909 VanDerWaalsContact CB-CB 3.43Å; W867-L909 VanDerWaalsContact CB-O 3.32Å; W867-L909 WeakPolarHBondContact CB-O 3.3Å; W867-L909 HydrophobicContact CG-CB 4.48Å; W867-L909 PolarHBondContact N-O 2.66Å; W867-L909 PolarHBondContact O-N 2.55Å; L869-L909 HydrophobicContact CB-CD1 3.58Å; L869-L909 HydrophobicContact CB-CD2 4.29Å; L869-L909 HydrophobicContact CB-CG 3.62Å; I907-L909 VanDerWaalsContact C-N 3.25Å; I907-L909 HydrophobicContact CG2-CD2 4.25Å; I907-L909 HydrophobicContact CG2-CG 4.48Å; I907-L909 PolarHBondContact O-N 2.87Å; L909-L931 HydrophobicContact CD1-CD1 3.78Å; L909-L931 HydrophobicContact CD1-CD2 3.54Å; L909-L931 HydrophobicContact CD1-CG 4.31Å; L909-L931 HydrophobicContact CD2-CD1 4.32Å; L909-L931 HydrophobicContact CG-CD1 4.49Å; L909-L933 HydrophobicContact CD1-CD1 4.41Å; L909-L944 HydrophobicContact CD1-CD1 3.48Å; L909-L944 VanDerWaalsContact CD1-CD1 3.48Å; L909-L944 HydrophobicContact CD1-CG 4.44Å
910	T	61	Low	60.5	Low	106 Å²	106	62 Å²	62	65%	0.65	33%	0.327	S	S	*	.			trans	-79.1	133.7	145	53	0	0	0	0	107.3	L931	T910-L931 WeakPolarHBondContact O-CD1 3.37Å
911	G	60.8	Low	60.2	Low	13 Å²	13	65.2 Å²	65.2	13%	0.134	35%	0.35	C	S	.	.	S	Bend	trans	-70.5	-131.6	149.3	0	0	0	0	0	108.5	S929 H930	G911-S929 WeakPolarHBondContact CA-OG 3.27Å; G911-S929 PolarHBondContact N-OG 2.94Å; G911-H930 CarbonylContact C-O 3.26Å
912	S	58.5	Low	59.1	Low	19 Å²	19	67.9 Å²	67.9	13%	0.133	38%	0.378	C	S	.	.	S	Bend	trans	-60	156.7	148.1	64.2	0	0	0	0	106.8	M914 E915 S929 H930	S912-M914 PolarHBondContact O-N 3.41Å; S912-E915 VanDerWaalsContact CB-CD 3.46Å; S912-E915 WeakPolarHBondContact CB-OE1 3.5Å; S912-E915 VanDerWaalsContact CB-OE2 3.24Å; S912-E915 WeakPolarHBondContact CB-OE2 3.42Å; S912-E915 PolarHBondContact OG-OE2 2.82Å; S912-S929 PolarHBondContact O-OG 3.18Å; S912-S929 WeakPolarHBondContact OG-CA 3.2Å; S912-H930 VanDerWaalsContact N-N 3.16Å; S912-H930 PolarHBondContact N-O 3.37Å; S912-H930 PolarHBondContact OG-N 3.44Å
913	K	56.2	Low	58.7	Low	71 Å²	71	69.1 Å²	69.1	31%	0.309	38%	0.384	S	S	.	.			trans	-43.5	141.2	165.2	-72.9	177.7	-177.7	174.8	0	107.3	E915 N928 N2090 Y2091	K913-E915 WeakPolarHBondContact O-CA 3.38Å; K913-E915 WeakPolarHBondContact O-CB 3.4Å; K913-E915 WeakPolarHBondContact O-CG 3.47Å; K913-E915 PolarHBondContact O-N 3.42Å; K913-N928 CarbonylContact C-O 3Å; K913-N2090 PolarHBondContact NZ-O 3.2Å; K913-Y2091 HydrophobicContact CD-CE2 4.48Å; K913-Y2091 VanDerWaalsContact NZ-CE1 3.31Å; K913-Y2091 PolarHBondContact NZ-OH 3.11Å
914	M	58.2	Low	58.5	Low	50 Å²	50	70.5 Å²	70.5	25%	0.246	39%	0.386	C	S	.	.	S	Bend	trans	-37.3	92.7	155.9	-106.9	-159	-71	0	0	108.8	V856 E864 L865 S912 E916 L927 N928	V856-M914 HydrophobicContact CG1-CG 4.14Å; V856-M914 HydrophobicContact CG1-SD 3.85Å; E864-M914 HydrophobicContact CB-CE 4.27Å; E864-M914 HydrophobicContact CG-CE 4.39Å; L865-M914 HydrophobicContact CB-CG 3.5Å; L865-M914 VanDerWaalsContact CB-CG 3.5Å; L865-M914 HydrophobicContact CB-SD 3.68Å; L865-M914 PolarHBondContact N-SD 2.69Å; S912-M914 PolarHBondContact O-N 3.41Å; M914-E916 PolarHBondContact O-N 3.4Å; M914-L927 HydrophobicContact CB-CB 3.75Å; M914-L927 HydrophobicContact CB-CD2 3.6Å; M914-L927 HydrophobicContact CB-CG 4.23Å; M914-L927 HydrophobicContact CG-CB 3.71Å; M914-L927 HydrophobicContact CG-CD2 4.12Å; M914-L927 HydrophobicContact CG-CG 4.38Å; M914-L927 HydrophobicContact SD-CB 4.06Å; M914-L927 HydrophobicContact SD-CD1 3.91Å; M914-L927 HydrophobicContact SD-CD2 3.88Å; M914-L927 HydrophobicContact SD-CG 4.2Å; M914-N928 CarbonylContact C-O 3.38Å; M914-N928 WeakPolarHBondContact CA-O 3.49Å
915	E	57	Low	58.1	Low	76 Å²	76	74.3 Å²	74.3	36%	0.355	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-99.6	97.5	-148	-134.3	164.5	-164.1	0	0	104.8	S912 K913 T917 I926 L927 N928 H930	S912-E915 VanDerWaalsContact CB-CD 3.46Å; S912-E915 WeakPolarHBondContact CB-OE1 3.5Å; S912-E915 VanDerWaalsContact CB-OE2 3.24Å; S912-E915 WeakPolarHBondContact CB-OE2 3.42Å; S912-E915 PolarHBondContact OG-OE2 2.82Å; K913-E915 WeakPolarHBondContact O-CA 3.38Å; K913-E915 WeakPolarHBondContact O-CB 3.4Å; K913-E915 WeakPolarHBondContact O-CG 3.47Å; K913-E915 PolarHBondContact O-N 3.42Å; E915-T917 PolarHBondContact O-N 3.02Å; E915-T917 PolarHBondContact O-OG1 2.93Å; E915-I926 CarbonylContact C-O 3.56Å; E915-I926 CarbonylContact O-C 3.59Å; E915-L927 VanDerWaalsContact N-C 3.31Å; E915-L927 WeakPolarHBondContact O-CA 3.19Å; E915-N928 HydrophobicContact CB-CB 3.82Å; E915-N928 VanDerWaalsContact N-N 3.16Å; E915-N928 PolarHBondContact N-O 2.78Å; E915-N928 PolarHBondContact O-N 2.85Å; E915-H930 IonicContact OE2-CD2 2.8Å
916	E	56.8	Low	58.1	Low	66 Å²	66	70.8 Å²	70.8	31%	0.308	39%	0.388	S	S	.	.			trans	-69.2	51.9	174.5	-63.7	-176.8	148.8	0	0	111.5	M858 M914 I918 H925 I926 L927	M858-E916 WeakPolarHBondContact CE-OE1 3.08Å; M858-E916 WeakPolarHBondContact CG-OE1 3.43Å; M914-E916 PolarHBondContact O-N 3.4Å; E916-I918 PolarHBondContact O-N 2.84Å; E916-H925 HydrophobicContact CB-CB 4.19Å; E916-H925 HydrophobicContact CG-CB 3.89Å; E916-H925 IonicContact OE1-CG 3.3Å; E916-H925 IonicContact OE1-ND1 2.73Å; E916-H925 IonicContact OE2-CE1 2.7Å; E916-H925 IonicContact OE2-CG 2.71Å; E916-H925 IonicContact OE2-ND1 3.98Å; E916-H925 PolarHBondContact OE2-ND1 3.05Å; E916-I926 VanDerWaalsContact CA-O 3.24Å; E916-I926 WeakPolarHBondContact CA-O 3.46Å; E916-L927 HydrophobicContact CG-CD2 3.37Å; E916-L927 HydrophobicContact CG-CG 3.72Å; E916-L927 WeakPolarHBondContact OE1-CD2 3.24Å
917	T	54	Low	58	Low	49 Å²	49	68.9 Å²	68.9	30%	0.301	38%	0.376	S	S	.	.				-41.9	83.4	124.8	59.4	0	0	0	0	109.3	E915 S919 L924 I926 N928	E915-T917 PolarHBondContact O-N 3.02Å; E915-T917 PolarHBondContact O-OG1 2.93Å; T917-S919 PolarHBondContact O-N 3.45Å; T917-L924 CarbonylContact C-O 3.57Å; T917-I926 CarbonylContact C-O 3.51Å; T917-I926 VanDerWaalsContact O-CB 3.32Å; T917-I926 WeakPolarHBondContact O-CB 3.38Å; T917-I926 PolarHBondContact O-N 3.5Å; T917-I926 PolarHBondContact OG1-O 3.03Å; T917-N928 PolarHBondContact OG1-ND2 2.94Å
918	I	50.3	Low	58.5	Low	64 Å²	64	67.5 Å²	67.5	33%	0.328	37%	0.369	S	S	.	.	B	Isolated β-bridge		-6.9	90.6	97.8	-66.8	174	0	0	0	110.1	E916 D920 L924	E916-I918 PolarHBondContact O-N 2.84Å; I918-D920 PolarHBondContact O-N 3.43Å; I918-L924 WeakPolarHBondContact CA-O 3.36Å; I918-L924 PolarHBondContact N-O 3.3Å
919	S	51.2	Low	58.7	Low	44 Å²	44	63 Å²	63	31%	0.308	35%	0.349	S	S	.	.			trans	-47.7	136.7	157.1	48.7	0	0	0	0	107.2	T917 S921	T917-S919 PolarHBondContact O-N 3.45Å; S919-S921 WeakPolarHBondContact O-CA 3.46Å; S919-S921 WeakPolarHBondContact O-CB 3.12Å; S919-S921 PolarHBondContact O-N 3.17Å; S919-S921 PolarHBondContact O-OG 3.32Å
920	D	54.6	Low	59.3	Low	180 Å²	180	65.2 Å²	65.2	96%	0.963	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	67.4	-161.2	-59.5	-72.5	0	0	0	117	I918	I918-D920 PolarHBondContact O-N 3.43Å
921	S	53.8	Low	60.3	Low	69 Å²	69	60.5 Å²	60.5	48%	0.483	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.1	-3.8	-160.8	71	0	0	0	0	115.1	S919 K923	S919-S921 WeakPolarHBondContact O-CA 3.46Å; S919-S921 WeakPolarHBondContact O-CB 3.12Å; S919-S921 PolarHBondContact O-N 3.17Å; S919-S921 PolarHBondContact O-OG 3.32Å; S921-K923 VanDerWaalsContact C-N 3.32Å; S921-K923 PolarHBondContact O-N 2.86Å
922	G	41.3	Very low	61.2	Low	60 Å²	60	63.5 Å²	63.5	62%	0.619	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	1.9	-177.4	0	0	0	0	0	117.1
923	K	53.9	Low	62.1	Low	175 Å²	175	63 Å²	63	76%	0.761	34%	0.335	S	S	*	.			trans	-124.3	-42.3	-159.7	-73.5	177.6	178.4	-179.4	0	119.3	S921	S921-K923 VanDerWaalsContact C-N 3.32Å; S921-K923 PolarHBondContact O-N 2.86Å
924	L	54.8	Low	63	Low	85 Å²	85	62.8 Å²	62.8	45%	0.445	34%	0.341	S	S	.	.			trans	-111	116.9	-164.1	-161.9	87.7	0	0	0	112.2	T917 I918 I926	T917-L924 CarbonylContact C-O 3.57Å; I918-L924 WeakPolarHBondContact CA-O 3.36Å; I918-L924 PolarHBondContact N-O 3.3Å; L924-I926 VanDerWaalsContact C-N 3.26Å; L924-I926 HydrophobicContact CD2-CD1 4.39Å; L924-I926 HydrophobicContact CD2-CG1 3.89Å; L924-I926 PolarHBondContact O-N 3Å
925	H	57.7	Low	63.8	Low	88 Å²	88	60.6 Å²	60.6	41%	0.407	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-76.9	70.8	-178.8	-71.9	-118.6	0	0	0	111.7	E916	E916-H925 HydrophobicContact CB-CB 4.19Å; E916-H925 HydrophobicContact CG-CB 3.89Å; E916-H925 IonicContact OE1-CG 3.3Å; E916-H925 IonicContact OE1-ND1 2.73Å; E916-H925 IonicContact OE2-CE1 2.7Å; E916-H925 IonicContact OE2-CG 2.71Å; E916-H925 IonicContact OE2-ND1 3.98Å; E916-H925 PolarHBondContact OE2-ND1 3.05Å
926	I	63.5	Low	64.5	Low	46 Å²	46	58 Å²	58	24%	0.236	32%	0.319	C	S	.	.			trans	-72.4	130	162.1	-47.9	177.5	0	0	0	106.5	V856 E915 E916 T917 L924	V856-I926 CarbonylContact O-C 3.54Å; V856-I926 VanDerWaalsContact O-CA 3.24Å; V856-I926 WeakPolarHBondContact O-CA 3.25Å; V856-I926 WeakPolarHBondContact O-CG2 3.18Å; E915-I926 CarbonylContact C-O 3.56Å; E915-I926 CarbonylContact O-C 3.59Å; E916-I926 VanDerWaalsContact CA-O 3.24Å; E916-I926 WeakPolarHBondContact CA-O 3.46Å; T917-I926 CarbonylContact C-O 3.51Å; T917-I926 VanDerWaalsContact O-CB 3.32Å; T917-I926 WeakPolarHBondContact O-CB 3.38Å; T917-I926 PolarHBondContact O-N 3.5Å; T917-I926 PolarHBondContact OG1-O 3.03Å; L924-I926 VanDerWaalsContact C-N 3.26Å; L924-I926 HydrophobicContact CD2-CD1 4.39Å; L924-I926 HydrophobicContact CD2-CG1 3.89Å; L924-I926 PolarHBondContact O-N 3Å
927	L	67	Low	65.1	Low	5 Å²	5	55.4 Å²	55.4	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	86.1	178.9	-59.2	135.8	0	0	0	110.1	Q855 V856 E857 M858 M914 E915 E916	Q855-L927 CarbonylContact C-O 2.69Å; V856-L927 HydrophobicContact CG1-CB 3.54Å; V856-L927 HydrophobicContact CG1-CD1 3.71Å; V856-L927 HydrophobicContact CG1-CG 4.28Å; V856-L927 PolarHBondContact N-O 3.07Å; V856-L927 PolarHBondContact O-N 2.96Å; E857-L927 VanDerWaalsContact O-CD1 3.22Å; E857-L927 WeakPolarHBondContact O-CD1 3.42Å; M858-L927 HydrophobicContact CB-CD1 4.06Å; M914-L927 HydrophobicContact CB-CB 3.75Å; M914-L927 HydrophobicContact CB-CD2 3.6Å; M914-L927 HydrophobicContact CB-CG 4.23Å; M914-L927 HydrophobicContact CG-CB 3.71Å; M914-L927 HydrophobicContact CG-CD2 4.12Å; M914-L927 HydrophobicContact CG-CG 4.38Å; M914-L927 HydrophobicContact SD-CB 4.06Å; M914-L927 HydrophobicContact SD-CD1 3.91Å; M914-L927 HydrophobicContact SD-CD2 3.88Å; M914-L927 HydrophobicContact SD-CG 4.2Å; E915-L927 VanDerWaalsContact N-C 3.31Å; E915-L927 WeakPolarHBondContact O-CA 3.19Å; E916-L927 HydrophobicContact CG-CD2 3.37Å; E916-L927 HydrophobicContact CG-CG 3.72Å; E916-L927 WeakPolarHBondContact OE1-CD2 3.24Å
928	N	78	Confident	65.9	Low	22 Å²	22	54.9 Å²	54.9	12%	0.118	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	170.9	174.5	-79.8	-30.9	0	0	0	113	C854 Q855 K913 M914 E915 T917	C854-N928 CarbonylContact O-C 3.5Å; Q855-N928 VanDerWaalsContact CB-OD1 3.3Å; Q855-N928 WeakPolarHBondContact CB-OD1 3.42Å; Q855-N928 WeakPolarHBondContact CG-OD1 3.4Å; Q855-N928 PolarHBondContact NE2-OD1 3.39Å; K913-N928 CarbonylContact C-O 3Å; M914-N928 CarbonylContact C-O 3.38Å; M914-N928 WeakPolarHBondContact CA-O 3.49Å; E915-N928 HydrophobicContact CB-CB 3.82Å; E915-N928 VanDerWaalsContact N-N 3.16Å; E915-N928 PolarHBondContact N-O 2.78Å; E915-N928 PolarHBondContact O-N 2.85Å; T917-N928 PolarHBondContact OG1-ND2 2.94Å
929	S	75.6	Confident	67.1	Low	5 Å²	5	53 Å²	53	4%	0.035	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	84.6	-176.3	-161.1	0	0	0	0	113.5	M853 C854 W867 G911 S912	M853-S929 CarbonylContact C-O 3.36Å; M853-S929 WeakPolarHBondContact CA-O 3.24Å; C854-S929 PolarHBondContact N-O 3.49Å; C854-S929 CarbonylContact O-C 2.78Å; C854-S929 VanDerWaalsContact O-CA 3.3Å; C854-S929 WeakPolarHBondContact O-CA 3.21Å; C854-S929 WeakPolarHBondContact O-CB 3.43Å; C854-S929 PolarHBondContact O-N 2.8Å; W867-S929 VanDerWaalsContact CZ2-O 3.31Å; W867-S929 WeakPolarHBondContact CZ2-O 3.32Å; W867-S929 PolarHBondContact NE1-O 3.2Å; W867-S929 PolarHBondContact NE1-OG 3.4Å; G911-S929 WeakPolarHBondContact CA-OG 3.27Å; G911-S929 PolarHBondContact N-OG 2.94Å; S912-S929 PolarHBondContact O-OG 3.18Å; S912-S929 WeakPolarHBondContact OG-CA 3.2Å
930	H	82.2	Confident	68.3	Low	77 Å²	77	51 Å²	51	36%	0.356	28%	0.279	S	S	.	.			trans	-85.4	101	-179.8	-64.4	-89.8	0	0	0	113.9	L852 M853 G911 S912 E915 E932	L852-H930 CarbonylContact O-C 3.51Å; L852-H930 WeakPolarHBondContact O-CA 3.24Å; M853-H930 WeakPolarHBondContact CG-ND1 3.4Å; M853-H930 PolarHBondContact SD-CE1 2.73Å; G911-H930 CarbonylContact C-O 3.26Å; S912-H930 VanDerWaalsContact N-N 3.16Å; S912-H930 PolarHBondContact N-O 3.37Å; S912-H930 PolarHBondContact OG-N 3.44Å; E915-H930 IonicContact OE2-CD2 2.8Å; H930-E932 PolarHBondContact O-N 2.85Å
931	L	81.3	Confident	69.3	Low	6 Å²	6	42.5 Å²	42.5	3%	0.031	23%	0.234	C	C	.	.			trans	-84.4	95.5	-179.9	176.1	66.2	0	0	0	112.5	L852 W867 L909 T910 L933 L944	L852-L931 WeakPolarHBondContact CA-O 3.22Å; L852-L931 HydrophobicContact CB-CB 4.05Å; L852-L931 HydrophobicContact CB-CD2 4.48Å; L852-L931 HydrophobicContact CB-CG 4.45Å; L852-L931 VanDerWaalsContact CB-O 3.29Å; L852-L931 WeakPolarHBondContact CB-O 3.31Å; L852-L931 HydrophobicContact CD1-CD2 3.93Å; L852-L931 HydrophobicContact CD1-CG 4.37Å; L852-L931 PolarHBondContact N-O 3.15Å; L852-L931 PolarHBondContact O-N 3.37Å; W867-L931 HydrophobicContact CD2-CB 4.19Å; W867-L931 HydrophobicContact CD2-CD2 3.94Å; W867-L931 HydrophobicContact CE3-CB 4.34Å; W867-L931 HydrophobicContact CE3-CD2 3.47Å; W867-L931 VanDerWaalsContact CE3-CD2 3.47Å; W867-L931 HydrophobicContact CH2-CB 3.82Å; W867-L931 HydrophobicContact CH2-CD2 4.04Å; W867-L931 HydrophobicContact CZ2-CB 3.58Å; W867-L931 HydrophobicContact CZ2-CD2 4.4Å; W867-L931 HydrophobicContact CZ3-CB 4.19Å; W867-L931 HydrophobicContact CZ3-CD2 3.55Å; L909-L931 HydrophobicContact CD1-CD1 3.78Å; L909-L931 HydrophobicContact CD1-CD2 3.54Å; L909-L931 HydrophobicContact CD1-CG 4.31Å; L909-L931 HydrophobicContact CD2-CD1 4.32Å; L909-L931 HydrophobicContact CG-CD1 4.49Å; T910-L931 WeakPolarHBondContact O-CD1 3.37Å; L931-L933 HydrophobicContact CD1-CD1 4.17Å; L931-L944 HydrophobicContact CD2-CD1 3.99Å; L931-L944 HydrophobicContact CD2-CD2 3.82Å; L931-L944 HydrophobicContact CD2-CG 4.18Å
932	E	79.5	Confident	70.6	Confident	76 Å²	76	39.2 Å²	39.2	36%	0.355	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	108	162.4	-179.8	153.3	-148.2	0	0	110.5	K851 H930 P934	K851-E932 WeakPolarHBondContact CE-OE1 3.44Å; K851-E932 HydrophobicContact CG-CB 4.2Å; K851-E932 HydrophobicContact CG-CG 3.89Å; K851-E932 WeakPolarHBondContact CG-OE1 3.43Å; K851-E932 IonicContact NZ-OE1 3.52Å; K851-E932 PolarHBondContact NZ-OE1 2.82Å; K851-E932 IonicContact NZ-OE2 3.61Å; K851-E932 PolarHBondContact NZ-OE2 3.49Å; H930-E932 PolarHBondContact O-N 2.85Å; E932-P934 VanDerWaalsContact O-CD 3.25Å; E932-P934 WeakPolarHBondContact O-CD 3.43Å
933	L	76.7	Confident	72.6	Confident	9 Å²	9	36.3 Å²	36.3	5%	0.047	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	103	-180	-158.4	78.7	0	0	0	109.6	L850 L909 L931 I935 L944 L992	L850-L933 PolarHBondContact N-O 3.3Å; L850-L933 PolarHBondContact O-N 3.38Å; L909-L933 HydrophobicContact CD1-CD1 4.41Å; L931-L933 HydrophobicContact CD1-CD1 4.17Å; L933-I935 HydrophobicContact CD2-CD1 4.13Å; L933-I935 PolarHBondContact O-N 2.92Å; L933-L944 HydrophobicContact CD2-CD1 4.43Å; L933-L992 HydrophobicContact CD2-CD1 3.47Å; L933-L992 VanDerWaalsContact CD2-CD1 3.47Å
934	P	75.6	Confident	74	Confident	67 Å²	67	28 Å²	28	44%	0.435	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	122.6	170.4	27	-33	0	0	0	108.9	E932 N936 H939	E932-P934 VanDerWaalsContact O-CD 3.25Å; E932-P934 WeakPolarHBondContact O-CD 3.43Å; P934-N936 PolarHBondContact O-N 3.1Å; P934-H939 PolarHBondContact O-CE1 3.26Å; P934-H939 PolarHBondContact O-ND1 3.45Å
935	I	75.4	Confident	75.4	Confident	4 Å²	4	24.1 Å²	24.1	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.3	-175.4	-63	-61.1	0	0	0	110.6	A844 G847 H848 L850 L933 L992 I994	A844-I935 HydrophobicContact CB-CB 4.17Å; A844-I935 HydrophobicContact CB-CG1 3.89Å; A844-I935 HydrophobicContact CB-CG2 3.87Å; G847-I935 PolarHBondContact N-O 3.15Å; H848-I935 WeakPolarHBondContact O-CA 3.18Å; H848-I935 WeakPolarHBondContact O-CB 3.32Å; H848-I935 PolarHBondContact O-N 3.09Å; L850-I935 HydrophobicContact CB-CD1 4.05Å; L850-I935 HydrophobicContact CB-CG1 3.9Å; L850-I935 HydrophobicContact CD2-CD1 4.02Å; L933-I935 HydrophobicContact CD2-CD1 4.13Å; L933-I935 PolarHBondContact O-N 2.92Å; I935-L992 HydrophobicContact CD1-CD1 4.45Å; I935-I994 HydrophobicContact CD1-CD1 4.3Å; I935-I994 HydrophobicContact CG2-CB 4.25Å; I935-I994 HydrophobicContact CG2-CD1 3.27Å; I935-I994 HydrophobicContact CG2-CG1 3.8Å; I935-I994 HydrophobicContact CG2-CG2 3.46Å; I935-I994 VanDerWaalsContact CG2-CG2 3.46Å
936	N	70.6	Confident	76.7	Confident	22 Å²	22	20 Å²	20	12%	0.118	11%	0.106	C	C	.	.			trans	-106.5	162.1	170.5	-174.9	11.4	0	0	0	110	P934 T938 H939 I2083	P934-N936 PolarHBondContact O-N 3.1Å; N936-T938 WeakPolarHBondContact CB-OG1 3.21Å; N936-T938 PolarHBondContact ND2-OG1 2.99Å; N936-T938 PolarHBondContact O-N 3.23Å; N936-T938 VanDerWaalsContact O-N 3.08Å; N936-H939 PolarHBondContact O-N 2.67Å; N936-I2083 HydrophobicContact CB-CD1 4.26Å; N936-I2083 WeakPolarHBondContact OD1-CD1 3.34Å
937	I	70.7	Confident	77.5	Confident	10 Å²	10	19 Å²	19	5%	0.051	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-52.5	-26.1	172.3	74.9	-164.6	0	0	0	113.3	S846 H939 D940 F996 I999 L1001	S846-I937 VanDerWaalsContact OG-CG2 3.24Å; S846-I937 WeakPolarHBondContact OG-CG2 3.45Å; S846-I937 PolarHBondContact OG-N 3.38Å; I937-H939 PolarHBondContact O-N 2.93Å; I937-D940 PolarHBondContact O-N 3.47Å; I937-F996 HydrophobicContact CB-CB 4.48Å; I937-F996 HydrophobicContact CB-CD1 3.78Å; I937-F996 HydrophobicContact CB-CD2 4.43Å; I937-F996 HydrophobicContact CB-CE1 3.97Å; I937-F996 HydrophobicContact CB-CG 4.02Å; I937-F996 HydrophobicContact CB-CZ 4.36Å; I937-F996 HydrophobicContact CG2-CB 3.5Å; I937-F996 HydrophobicContact CG2-CD1 3.71Å; I937-F996 HydrophobicContact CG2-CD2 4.15Å; I937-F996 HydrophobicContact CG2-CE1 4.4Å; I937-F996 HydrophobicContact CG2-CG 3.56Å; I937-I999 HydrophobicContact CD1-CB 4.45Å; I937-I999 HydrophobicContact CD1-CD1 3.73Å; I937-I999 HydrophobicContact CD1-CG2 3.41Å; I937-I999 VanDerWaalsContact CD1-CG2 3.41Å; I937-I999 HydrophobicContact CG2-CD1 3.78Å; I937-L1001 HydrophobicContact CD1-CD1 3.97Å
938	T	71.2	Confident	77.6	Confident	39 Å²	39	19 Å²	19	24%	0.239	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-64.6	-27	178.3	47.8	0	0	0	0	111.9	H871 N936 D940	H871-T938 PolarHBondContact CE1-O 2.98Å; H871-T938 VanDerWaalsContact CE1-O 3.27Å; N936-T938 WeakPolarHBondContact CB-OG1 3.21Å; N936-T938 PolarHBondContact ND2-OG1 2.99Å; N936-T938 PolarHBondContact O-N 3.23Å; N936-T938 VanDerWaalsContact O-N 3.08Å; T938-D940 VanDerWaalsContact C-N 3.27Å; T938-D940 PolarHBondContact O-N 3.08Å
939	H	74.8	Confident	76.9	Confident	25 Å²	25	21.5 Å²	21.5	12%	0.116	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-85.6	10.9	-178.3	-53.2	159.5	0	0	0	113.6	P934 N936 I937 G941 D942 L992 I994	P934-H939 PolarHBondContact O-CE1 3.26Å; P934-H939 PolarHBondContact O-ND1 3.45Å; N936-H939 PolarHBondContact O-N 2.67Å; I937-H939 PolarHBondContact O-N 2.93Å; H939-G941 PolarHBondContact O-N 3.2Å; H939-G941 VanDerWaalsContact O-N 3.11Å; H939-D942 WeakPolarHBondContact CA-OD2 3.3Å; H939-D942 IonicContact CD2-OD2 2.97Å; H939-L992 HydrophobicContact CB-CD1 3.91Å; H939-L992 VanDerWaalsContact O-CB 3.26Å; H939-L992 WeakPolarHBondContact O-CB 3.36Å; H939-I994 HydrophobicContact CB-CD1 4.34Å; H939-I994 HydrophobicContact CB-CG1 4.21Å
940	D	77	Confident	75.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	91.2	177.2	-166.4	37.8	0	0	0	110.7	R820 L823 P874 I937 T938 S993 I994 F996	R820-D940 IonicContact CZ-OD2 3.53Å; R820-D940 IonicContact NE-OD2 2.61Å; R820-D940 IonicContact NH2-OD2 3.55Å; R820-D940 PolarHBondContact NH2-OD2 3.25Å; L823-D940 WeakPolarHBondContact CD1-OD1 3.19Å; L823-D940 WeakPolarHBondContact CD2-O 3.2Å; P874-D940 HydrophobicContact CG-CB 4.42Å; I937-D940 PolarHBondContact O-N 3.47Å; T938-D940 VanDerWaalsContact C-N 3.27Å; T938-D940 PolarHBondContact O-N 3.08Å; D940-S993 VanDerWaalsContact OD1-CA 3.22Å; D940-S993 WeakPolarHBondContact OD1-CA 3.16Å; D940-S993 WeakPolarHBondContact OD1-CB 3.29Å; D940-S993 PolarHBondContact OD1-OG 2.89Å; D940-I994 HydrophobicContact CB-CB 4.02Å; D940-I994 HydrophobicContact CB-CG1 3.96Å; D940-I994 PolarHBondContact OD1-N 3.43Å; D940-F996 HydrophobicContact CB-CE1 4.46Å
941	G	74.8	Confident	74.4	Confident	2 Å²	2	29.3 Å²	29.3	2%	0.021	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	125.3	-8.6	-180	0	0	0	0	0	115.6	I826 H939 L992	I826-G941 VanDerWaalsContact CG2-O 3.3Å; I826-G941 WeakPolarHBondContact CG2-O 3.47Å; H939-G941 PolarHBondContact O-N 3.2Å; H939-G941 VanDerWaalsContact O-N 3.11Å; G941-L992 PolarHBondContact N-O 2.76Å
942	D	81.2	Confident	72.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.			trans	-75.1	145.1	-171.1	-64.4	-15.5	0	0	0	113.7	L869 H871 C872 H939 L991 L992	L869-D942 HydrophobicContact CD1-CB 3.55Å; L869-D942 HydrophobicContact CG-CB 4.11Å; H871-D942 VanDerWaalsContact CA-OD1 3.28Å; H871-D942 WeakPolarHBondContact CA-OD1 3.49Å; H871-D942 IonicContact CE1-OD1 3.9Å; H871-D942 IonicContact CE1-OD2 3.46Å; H871-D942 IonicContact CG-OD1 2.9Å; H871-D942 IonicContact CG-OD2 2.61Å; H871-D942 VanDerWaalsContact ND1-CG 3.26Å; H871-D942 IonicContact ND1-OD1 2.75Å; H871-D942 PolarHBondContact ND1-OD1 3.39Å; H871-D942 IonicContact ND1-OD2 2.73Å; H871-D942 PolarHBondContact ND1-OD2 2.74Å; C872-D942 PolarHBondContact N-OD1 3.04Å; H939-D942 WeakPolarHBondContact CA-OD2 3.3Å; H939-D942 IonicContact CD2-OD2 2.97Å; D942-L991 CarbonylContact O-C 3.57Å; D942-L991 WeakPolarHBondContact O-CA 3.2Å; D942-L991 WeakPolarHBondContact O-CD1 3.26Å; D942-L992 HydrophobicContact CB-CD1 4.39Å; D942-L992 PolarHBondContact O-N 2.63Å
943	L	82.7	Confident	70.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	158.9	164.3	-162.5	81.3	0	0	0	109.8	Y830 Y834 I839 L869 N870 I990 L991	Y830-L943 HydrophobicContact CD1-CB 4.38Å; Y830-L943 HydrophobicContact CD1-CD2 3.76Å; Y830-L943 HydrophobicContact CD2-CB 3.94Å; Y830-L943 HydrophobicContact CD2-CD1 4.23Å; Y830-L943 HydrophobicContact CD2-CD2 4.5Å; Y830-L943 HydrophobicContact CD2-CG 4.46Å; Y830-L943 HydrophobicContact CE1-CB 4.17Å; Y830-L943 HydrophobicContact CE1-CD2 4.08Å; Y830-L943 HydrophobicContact CE2-CB 3.69Å; Y830-L943 HydrophobicContact CG-CB 4.27Å; Y830-L943 HydrophobicContact CG-CD1 4.21Å; Y830-L943 HydrophobicContact CG-CD2 3.98Å; Y830-L943 HydrophobicContact CG-CG 4.4Å; Y834-L943 HydrophobicContact CD2-CD2 3.94Å; Y834-L943 HydrophobicContact CE2-CD2 3.46Å; Y834-L943 VanDerWaalsContact CE2-CD2 3.46Å; I839-L943 HydrophobicContact CD1-CD1 4.04Å; I839-L943 HydrophobicContact CG2-CD1 3.5Å; I839-L943 VanDerWaalsContact CG2-CD1 3.5Å; L869-L943 CarbonylContact C-O 3.47Å; L869-L943 VanDerWaalsContact C-O 3.31Å; L869-L943 WeakPolarHBondContact CA-O 3.24Å; L869-L943 WeakPolarHBondContact CD1-O 3.4Å; N870-L943 HydrophobicContact CB-CB 4.14Å; N870-L943 PolarHBondContact N-O 2.78Å; N870-L943 PolarHBondContact O-N 2.88Å; L943-I990 CarbonylContact C-O 3.55Å; L943-I990 VanDerWaalsContact CA-O 3.3Å; L943-I990 WeakPolarHBondContact CA-O 3.29Å; L943-I990 WeakPolarHBondContact CD1-O 3.49Å; L943-I990 WeakPolarHBondContact CG-O 3.45Å; L943-L991 HydrophobicContact CB-CD1 4.12Å; L943-L991 HydrophobicContact CD1-CB 4.04Å; L943-L991 HydrophobicContact CD1-CD1 3.74Å
944	L	84.5	Confident	69.1	Low	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.7	-172.6	-158	82.9	0	0	0	110.4	L852 W867 Q868 L869 L909 L931 L933 H989 I990	L852-L944 HydrophobicContact CD1-CD2 3.34Å; W867-L944 HydrophobicContact CZ3-CD2 4.18Å; Q868-L944 CarbonylContact O-C 3.58Å; Q868-L944 WeakPolarHBondContact O-CA 3.29Å; L869-L944 HydrophobicContact CB-CD1 4.02Å; L869-L944 HydrophobicContact CD1-CD1 3.36Å; L869-L944 HydrophobicContact CG-CD1 4.3Å; L909-L944 HydrophobicContact CD1-CD1 3.48Å; L909-L944 VanDerWaalsContact CD1-CD1 3.48Å; L909-L944 HydrophobicContact CD1-CG 4.44Å; L931-L944 HydrophobicContact CD2-CD1 3.99Å; L931-L944 HydrophobicContact CD2-CD2 3.82Å; L931-L944 HydrophobicContact CD2-CG 4.18Å; L933-L944 HydrophobicContact CD2-CD1 4.43Å; L944-H989 CarbonylContact O-C 3.59Å; L944-H989 VanDerWaalsContact O-C 3.31Å; L944-H989 WeakPolarHBondContact O-CA 3.34Å; L944-H989 WeakPolarHBondContact O-CB 3.44Å; L944-I990 HydrophobicContact CB-CB 4.17Å; L944-I990 HydrophobicContact CD2-CB 4.45Å; L944-I990 PolarHBondContact N-O 2.91Å; L944-I990 PolarHBondContact O-N 3.46Å
945	E	84.6	Confident	66.9	Low	4 Å²	4	49.8 Å²	49.8	2%	0.019	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	172.7	-179	-44.5	-179	-146.2	0	0	113.8	Y834 W867 Q868 N870 S988 H989	Y834-E945 WeakPolarHBondContact CE1-OE1 3.28Å; Y834-E945 PolarHBondContact OH-OE1 3.28Å; W867-E945 CarbonylContact C-O 3.38Å; W867-E945 WeakPolarHBondContact CA-O 3.42Å; W867-E945 WeakPolarHBondContact CB-O 3.48Å; Q868-E945 HydrophobicContact CB-CB 4.1Å; Q868-E945 PolarHBondContact N-O 2.85Å; Q868-E945 PolarHBondContact O-N 2.82Å; N870-E945 PolarHBondContact ND2-OE1 3.04Å; E945-S988 CarbonylContact C-O 3.34Å; E945-S988 WeakPolarHBondContact CA-O 3.39Å; E945-S988 WeakPolarHBondContact CB-O 3.29Å; E945-H989 HydrophobicContact CG-CB 4.03Å; E945-H989 VanDerWaalsContact CG-CD2 3.43Å; E945-H989 WeakPolarHBondContact CG-CD2 3.37Å; E945-H989 IonicContact OE2-CD2 2.85Å; E945-H989 PolarHBondContact OE2-CD2 3.34Å; E945-H989 VanDerWaalsContact OE2-CD2 3.3Å; E945-H989 IonicContact OE2-NE2 3.91Å; E945-H989 PolarHBondContact OE2-NE2 2.93Å
946	C	84.2	Confident	64.9	Low	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	133.8	166.8	-158.7	0	0	0	0	110.6	I804 C854 L865 E866 W867 N987 S988	I804-C946 HydrophobicContact CD1-CB 3.77Å; I804-C946 HydrophobicContact CG1-CB 3.88Å; C854-C946 HydrophobicContact CB-CB 4.02Å; C854-C946 WeakPolarHBondContact CB-SG 3.38Å; C854-C946 WeakPolarHBondContact SG-CB 3.24Å; C854-C946 CovalentContact SG-SG 2.06Å; C854-C946 PolarHBondContact SG-SG 3.32Å; L865-C946 WeakPolarHBondContact CD2-SG 2.93Å; E866-C946 CarbonylContact O-C 3.51Å; E866-C946 WeakPolarHBondContact O-CA 3.42Å; W867-C946 HydrophobicContact CD2-CB 3.91Å; W867-C946 HydrophobicContact CE3-CB 4.05Å; W867-C946 HydrophobicContact CG-CB 4.13Å; C946-N987 CarbonylContact O-C 3.19Å; C946-N987 WeakPolarHBondContact O-CA 3.48Å; C946-N987 WeakPolarHBondContact O-CB 3.43Å; C946-S988 PolarHBondContact N-O 3.02Å; C946-S988 PolarHBondContact O-N 2.89Å
947	L	80.5	Confident	62.8	Low	27 Å²	27	64.4 Å²	64.4	14%	0.141	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	171.6	-178.6	78.3	75.6	0	0	0	117.7	L865 E866 Q868 L986 N987	L865-L947 CarbonylContact C-O 3.43Å; L865-L947 WeakPolarHBondContact CA-O 3.5Å; L865-L947 VanDerWaalsContact CD2-O 3.26Å; L865-L947 WeakPolarHBondContact CD2-O 3.15Å; E866-L947 HydrophobicContact CB-CD1 4.03Å; E866-L947 HydrophobicContact CB-CG 4.17Å; E866-L947 WeakPolarHBondContact CB-O 3.4Å; E866-L947 HydrophobicContact CG-CD1 4.48Å; E866-L947 PolarHBondContact N-O 2.89Å; E866-L947 PolarHBondContact O-N 2.92Å; E866-L947 VanDerWaalsContact OE2-CD1 3.29Å; E866-L947 WeakPolarHBondContact OE2-CD1 3.46Å; Q868-L947 VanDerWaalsContact NE2-CD2 3.33Å; L947-L986 CarbonylContact C-O 3.56Å; L947-L986 WeakPolarHBondContact CA-O 3.44Å; L947-L986 WeakPolarHBondContact CB-O 3.22Å; L947-N987 HydrophobicContact CB-CB 3.51Å
948	I	69.4	Low	60.7	Low	5 Å²	5	69.2 Å²	69.2	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.5	174	-46.1	176.1	0	0	0	114.4	T800 V801 L802 V856 E864 L985 L986	T800-I948 WeakPolarHBondContact O-CD1 3.23Å; V801-I948 WeakPolarHBondContact O-CD1 3.32Å; L802-I948 HydrophobicContact CB-CD1 4.49Å; L802-I948 HydrophobicContact CD1-CG1 3.91Å; V856-I948 HydrophobicContact CG2-CD1 3.91Å; V856-I948 HydrophobicContact CG2-CG1 4.34Å; E864-I948 WeakPolarHBondContact O-CA 3.25Å; I948-L985 WeakPolarHBondContact O-CD2 3.09Å; I948-L985 WeakPolarHBondContact O-CG 3.14Å; I948-L986 HydrophobicContact CD1-CB 4.07Å; I948-L986 HydrophobicContact CD1-CD1 3.58Å; I948-L986 HydrophobicContact CD1-CG 4.33Å; I948-L986 HydrophobicContact CG1-CB 4.33Å; I948-L986 PolarHBondContact N-O 2.85Å; I948-L986 VanDerWaalsContact N-O 3.13Å
949	R	63.5	Low	58.5	Low	74 Å²	74	72.5 Å²	72.5	28%	0.279	39%	0.388	S	S	.	.			trans	-75.1	159.2	175.6	-103.3	175	-175.2	-175	4.2	116.9	E864 E866	E864-R949 HydrophobicContact CB-CB 4.37Å; E864-R949 VanDerWaalsContact CD-NH1 3.31Å; E864-R949 PolarHBondContact O-N 2.54Å; E864-R949 IonicContact OE1-NH1 3.91Å; E864-R949 PolarHBondContact OE1-NH1 3.07Å; E864-R949 WeakPolarHBondContact OE2-CD 3.36Å; E864-R949 IonicContact OE2-CZ 2.64Å; E864-R949 IonicContact OE2-NE 3.63Å; E864-R949 IonicContact OE2-NH1 3.51Å; E864-R949 PolarHBondContact OE2-NH1 2.9Å; E866-R949 IonicContact OE1-NE 2.76Å; E866-R949 IonicContact OE1-NH2 3.09Å
950	K	54.1	Low	56.1	Low	130 Å²	130	78.6 Å²	78.6	57%	0.565	43%	0.427	S	S	*	.			trans	-127.7	151.5	-177.2	-106.3	-165.1	-175.4	173.8	0	114.7	L983 L985	K950-L983 WeakPolarHBondContact CE-O 3.47Å; K950-L983 HydrophobicContact CG-CB 4.02Å; K950-L985 HydrophobicContact CD-CD1 3.99Å; K950-L985 HydrophobicContact CG-CD1 4.24Å; K950-L985 HydrophobicContact CG-CG 4.35Å
951	Y	51.2	Low	53.6	Low	116 Å²	116	86.8 Å²	86.8	46%	0.455	46%	0.464	S	S	.	.			trans	-126.5	152.7	171.9	-74.6	-101.7	0	0	0	112.7	P861 L983	P861-Y951 HydrophobicContact CB-CD1 3.79Å; P861-Y951 HydrophobicContact CB-CD2 3.42Å; P861-Y951 VanDerWaalsContact CB-CD2 3.42Å; P861-Y951 HydrophobicContact CB-CE1 3.74Å; P861-Y951 HydrophobicContact CB-CE2 3.36Å; P861-Y951 HydrophobicContact CB-CG 3.63Å; P861-Y951 HydrophobicContact CG-CD1 4.34Å; P861-Y951 HydrophobicContact CG-CG 4.3Å; Y951-L983 HydrophobicContact CD2-CD2 3.85Å
952	P	47.8	Very low	51.3	Low	120 Å²	120	93.6 Å²	93.6	78%	0.779	50%	0.5	S	S	*	.			trans	-106.2	164.3	174.2	39.7	-32.9	0	0	0	114.2
953	V	38.8	Very low	48.5	Very low	129 Å²	129	102.1 Å²	102.1	78%	0.782	54%	0.539	S	S	*	.			trans	-148	122	179.8	-176.9	0	0	0	0	111.9
954	E	37.9	Very low	45.9	Very low	180 Å²	180	107.9 Å²	107.9	84%	0.841	58%	0.577	S	S	*	*			trans	-148.8	149.1	170	-67.1	-171.9	155.5	0	0	111.9
955	N	30.4	Very low	43.1	Very low	159 Å²	159	117.5 Å²	117.5	85%	0.85	62%	0.615	S	S	*	*			trans	72.1	118.8	173.7	-62.8	-43.3	0	0	0	120.6
956	I	32.2	Very low	40.5	Very low	164 Å²	164	122.5 Å²	122.5	84%	0.841	64%	0.642	S	S	*	*			trans	-142.9	134.8	163.3	-62.1	175.6	0	0	0	107.7
957	N	26.6	Very low	37.8	Very low	169 Å²	169	126.8 Å²	126.8	90%	0.904	67%	0.665	S	S	*	*			trans	-169.2	82.8	167.6	-115.8	-23.1	0	0	0	115.3
958	S	27.2	Very low	35.4	Very low	110 Å²	110	134.5 Å²	134.5	77%	0.769	69%	0.693	S	S	*	*	S	Bend	trans	-164.3	58.2	168.9	48.2	0	0	0	0	115.6
959	S	25.2	Very low	33.3	Very low	108 Å²	108	141.8 Å²	141.8	76%	0.755	73%	0.727	S	S	*	*			trans	45.1	94.4	154.3	63.7	0	0	0	0	119.4
960	V	25.3	Very low	31.6	Very low	154 Å²	154	145.7 Å²	145.7	93%	0.933	75%	0.753	S	S	*	*			trans	-88.6	126.1	131.4	173.9	0	0	0	0	106.6
961	H	24.4	Very low	30.4	Very low	171 Å²	171	144.3 Å²	144.3	79%	0.792	76%	0.759	S	S	*	*			trans	-110.9	110.9	176.9	-138	-36.3	0	0	0	108.7
962	L	25.4	Very low	29.1	Very low	146 Å²	146	148.4 Å²	148.4	76%	0.764	78%	0.779	S	S	*	*	S	Bend	trans	177.7	116.5	136	-95.4	162.4	0	0	0	111.8
963	Q	23.4	Very low	28	Very low	178 Å²	178	148.5 Å²	148.5	83%	0.832	78%	0.78	S	S	*	*			trans	62.1	110.4	156.7	-62.6	-177.9	-14.8	0	0	119.5
964	P	26.3	Very low	27.4	Very low	122 Å²	122	148.1 Å²	148.1	79%	0.792	77%	0.766	S	S	*	*			trans	-92.6	170.1	171.5	38.7	-34.8	0	0	0	112.7
965	Y	27.7	Very low	26.7	Very low	201 Å²	201	149.5 Å²	149.5	79%	0.788	77%	0.765	S	S	*	*			trans	-139.2	140.1	158.4	-123	-90.6	0	0	0	111.6
966	D	29.6	Very low	26.8	Very low	110 Å²	110	145.5 Å²	145.5	59%	0.588	74%	0.741	S	S	*	*			trans	-27.3	138.2	-178.1	-68.3	-69	0	0	0	119.3
967	N	27.4	Very low	26.3	Very low	90 Å²	90	143.5 Å²	143.5	48%	0.481	73%	0.732	S	S	.	*				66.5	85.7	66.7	-60.6	-43.7	0	0	0	113.5	Q976	N967-Q976 PolarHBondContact OD1-NE2 2.84Å
968	Y	29	Very low	26.2	Very low	189 Å²	189	141.5 Å²	141.5	74%	0.741	73%	0.726	S	S	*	*			trans	-140.7	94.9	143.8	-119.6	-75.6	0	0	0	111.9	Y974	Y968-Y974 WeakPolarHBondContact O-CE2 3.43Å; Y968-Y974 PolarHBondContact O-OH 2.99Å
969	E	26.2	Very low	26.1	Very low	158 Å²	158	144.4 Å²	144.4	74%	0.738	73%	0.727	S	S	*	*			trans	-27.9	128.6	160.7	-52.7	174.6	111	0	0	114.4
970	L	27.9	Very low	26	Very low	155 Å²	155	144.3 Å²	144.3	81%	0.812	73%	0.726	S	S	*	*				-155.3	98.5	123.7	-132.5	74.3	0	0	0	110.8
971	S	28.6	Very low	26.2	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	72%	0.718	S	S	*	*	S	Bend	trans	35.2	113.2	157.2	59	0	0	0	0	120.5
972	K	23.1	Very low	26.5	Very low	202 Å²	202	139.7 Å²	139.7	88%	0.878	71%	0.706	S	S	*	*	S	Bend	cis	-157.1	143.7	-8.4	-71.8	-174.8	179.8	-179.5	0	108.8
973	P	25	Very low	27.3	Very low	123 Å²	123	135.3 Å²	135.3	80%	0.799	68%	0.683	S	S	*	*			cis	-119.1	142.5	-28.5	35.7	-21.5	0	0	0	112.4	Y975	P973-Y975 PolarHBondContact O-N 2.83Å
974	Y	26	Very low	28.4	Very low	121 Å²	121	130.8 Å²	130.8	48%	0.475	67%	0.667	S	S	.	*			trans	-40.1	117.1	166.4	-104.3	-122	0	0	0	113.9	Y968 Q976	Y968-Y974 WeakPolarHBondContact O-CE2 3.43Å; Y968-Y974 PolarHBondContact O-OH 2.99Å; Y974-Q976 HydrophobicContact CD1-CG 3.81Å
975	Y	23.7	Very low	29.8	Very low	209 Å²	209	129.3 Å²	129.3	82%	0.82	65%	0.653	S	S	*	*				-111	109.6	115.7	-107.9	-101.5	0	0	0	105.4	P973	P973-Y975 PolarHBondContact O-N 2.83Å
976	Q	32	Very low	31.6	Very low	75 Å²	75	122.2 Å²	122.2	35%	0.35	63%	0.628	S	S	.	*				66.3	85	69.4	-62.6	176.9	-15.9	0	0	111.8	N967 Y974	N967-Q976 PolarHBondContact OD1-NE2 2.84Å; Y974-Q976 HydrophobicContact CD1-CG 3.81Å
977	N	23.3	Very low	33.5	Very low	122 Å²	122	121.3 Å²	121.3	65%	0.652	62%	0.623	S	S	*	*	S	Bend	trans	49.5	128	149.6	-57.8	-15.8	0	0	0	119.8
978	T	23.5	Very low	36	Very low	126 Å²	126	119.1 Å²	119.1	77%	0.773	62%	0.615	S	S	*	*	S	Bend	trans	74.5	103.5	173.3	63.5	0	0	0	0	117.1
979	H	25	Very low	38.6	Very low	172 Å²	172	111.7 Å²	111.7	80%	0.796	59%	0.587	S	S	*	*	S	Bend	trans	64.4	58.7	157.2	-59.2	-78.7	0	0	0	120.7
980	S	24.5	Very low	41.4	Very low	106 Å²	106	104.9 Å²	104.9	74%	0.741	56%	0.555	S	S	*	*			trans	-159.9	125	149.5	51.7	0	0	0	0	115.1
981	Q	27.7	Very low	44.1	Very low	163 Å²	163	97.9 Å²	97.9	76%	0.762	52%	0.519	S	S	*	.			trans	-159.8	167.6	166.2	-66.4	-170	-13.5	0	0	106.9	S798	S798-Q981 WeakPolarHBondContact CB-O 3.46Å
982	A	31	Very low	46.7	Very low	65 Å²	65	93.1 Å²	93.1	54%	0.537	49%	0.486	S	S	.	.			cis	-168.1	149.5	-44.9	0	0	0	0	0	105.1
983	L	42.7	Very low	49.6	Very low	54 Å²	54	84.2 Å²	84.2	28%	0.283	45%	0.448	S	S	.	.			trans	-129.7	126.9	-175.1	-67.9	100.6	0	0	0	115.1	K950 Y951	K950-L983 WeakPolarHBondContact CE-O 3.47Å; K950-L983 HydrophobicContact CG-CB 4.02Å; Y951-L983 HydrophobicContact CD2-CD2 3.85Å
984	T	47.1	Very low	52.3	Low	82 Å²	82	78.4 Å²	78.4	50%	0.503	41%	0.411	S	S	.	.			trans	-100.6	148.3	171.7	47	0	0	0	0	111	T800	T800-T984 PolarHBondContact O-OG1 3Å
985	L	55.3	Low	55	Low	92 Å²	92	76.4 Å²	76.4	48%	0.482	41%	0.406	S	S	.	.			trans	-118.2	125.9	-177.9	-136.4	173.1	0	0	0	107.1	I948 K950	I948-L985 WeakPolarHBondContact O-CD2 3.09Å; I948-L985 WeakPolarHBondContact O-CG 3.14Å; K950-L985 HydrophobicContact CD-CD1 3.99Å; K950-L985 HydrophobicContact CG-CD1 4.24Å; K950-L985 HydrophobicContact CG-CG 4.35Å
986	L	65	Low	57.7	Low	52 Å²	52	66.7 Å²	66.7	27%	0.272	37%	0.368	S	S	.	.			trans	-129	152.9	178.6	-71.5	88.8	0	0	0	109.3	L802 L947 I948	L802-L986 HydrophobicContact CB-CB 3.47Å; L802-L986 VanDerWaalsContact CB-CB 3.47Å; L802-L986 HydrophobicContact CB-CD2 3.74Å; L802-L986 HydrophobicContact CB-CG 4.19Å; L802-L986 HydrophobicContact CD1-CB 3.98Å; L802-L986 HydrophobicContact CD2-CB 4.33Å; L802-L986 HydrophobicContact CG-CB 4.13Å; L947-L986 CarbonylContact C-O 3.56Å; L947-L986 WeakPolarHBondContact CA-O 3.44Å; L947-L986 WeakPolarHBondContact CB-O 3.22Å; I948-L986 HydrophobicContact CD1-CB 4.07Å; I948-L986 HydrophobicContact CD1-CD1 3.58Å; I948-L986 HydrophobicContact CD1-CG 4.33Å; I948-L986 HydrophobicContact CG1-CB 4.33Å; I948-L986 PolarHBondContact N-O 2.85Å; I948-L986 VanDerWaalsContact N-O 3.13Å
987	N	69.9	Low	60.1	Low	90 Å²	90	65.7 Å²	65.7	48%	0.481	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	168.5	172.2	64.4	-40.5	0	0	0	117.8	C946 L947 H989	C946-N987 CarbonylContact O-C 3.19Å; C946-N987 WeakPolarHBondContact O-CA 3.48Å; C946-N987 WeakPolarHBondContact O-CB 3.43Å; L947-N987 HydrophobicContact CB-CB 3.51Å; N987-H989 PolarHBondContact ND2-NE2 3.1Å
988	S	79.3	Confident	62.8	Low	45 Å²	45	59.9 Å²	59.9	32%	0.315	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	151.6	-179.3	-178.6	0	0	0	0	114.9	I804 E945 C946	I804-S988 WeakPolarHBondContact CD1-O 3.01Å; E945-S988 CarbonylContact C-O 3.34Å; E945-S988 WeakPolarHBondContact CA-O 3.39Å; E945-S988 WeakPolarHBondContact CB-O 3.29Å; C946-S988 PolarHBondContact N-O 3.02Å; C946-S988 PolarHBondContact O-N 2.89Å
989	H	83.5	Confident	65.2	Low	33 Å²	33	54.5 Å²	54.5	15%	0.153	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.7	-168.9	-27.9	146	0	0	0	121.1	Y834 L944 E945 N987	Y834-H989 AromaticContact CD1-CE1 3.57Å; Y834-H989 AromaticContact CG-CE1 3.78Å; L944-H989 CarbonylContact O-C 3.59Å; L944-H989 VanDerWaalsContact O-C 3.31Å; L944-H989 WeakPolarHBondContact O-CA 3.34Å; L944-H989 WeakPolarHBondContact O-CB 3.44Å; E945-H989 HydrophobicContact CG-CB 4.03Å; E945-H989 VanDerWaalsContact CG-CD2 3.43Å; E945-H989 WeakPolarHBondContact CG-CD2 3.37Å; E945-H989 IonicContact OE2-CD2 2.85Å; E945-H989 PolarHBondContact OE2-CD2 3.34Å; E945-H989 VanDerWaalsContact OE2-CD2 3.3Å; E945-H989 IonicContact OE2-NE2 3.91Å; E945-H989 PolarHBondContact OE2-NE2 2.93Å; N987-H989 PolarHBondContact ND2-NE2 3.1Å
990	I	85.4	Confident	67.4	Low	14 Å²	14	46.3 Å²	46.3	7%	0.072	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	161.2	176.1	-52.4	178.8	0	0	0	114.1	I804 V842 L852 L943 L944	I804-I990 HydrophobicContact CG2-CD1 3.99Å; V842-I990 HydrophobicContact CG2-CG2 3.84Å; L852-I990 HydrophobicContact CD2-CD1 3.86Å; L943-I990 CarbonylContact C-O 3.55Å; L943-I990 VanDerWaalsContact CA-O 3.3Å; L943-I990 WeakPolarHBondContact CA-O 3.29Å; L943-I990 WeakPolarHBondContact CD1-O 3.49Å; L943-I990 WeakPolarHBondContact CG-O 3.45Å; L944-I990 HydrophobicContact CB-CB 4.17Å; L944-I990 HydrophobicContact CD2-CB 4.45Å; L944-I990 PolarHBondContact N-O 2.91Å; L944-I990 PolarHBondContact O-N 3.46Å
991	L	84	Confident	69.1	Low	8 Å²	8	43.8 Å²	43.8	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	154.6	171	-166.2	84.5	0	0	0	114.9	L827 Y830 I839 P840 I841 V842 D942 L943	L827-L991 HydrophobicContact CB-CD2 4.35Å; L827-L991 HydrophobicContact CD1-CD2 3.65Å; Y830-L991 HydrophobicContact CD2-CD1 3.84Å; Y830-L991 HydrophobicContact CE2-CD1 4.22Å; I839-L991 HydrophobicContact CG2-CB 3.73Å; P840-L991 PolarHBondContact O-N 3.49Å; I841-L991 CarbonylContact C-O 3.43Å; I841-L991 WeakPolarHBondContact CA-O 3.5Å; I841-L991 HydrophobicContact CG1-CD2 4.25Å; V842-L991 PolarHBondContact N-O 2.92Å; D942-L991 CarbonylContact O-C 3.57Å; D942-L991 WeakPolarHBondContact O-CA 3.2Å; D942-L991 WeakPolarHBondContact O-CD1 3.26Å; L943-L991 HydrophobicContact CB-CD1 4.12Å; L943-L991 HydrophobicContact CD1-CB 4.04Å; L943-L991 HydrophobicContact CD1-CD1 3.74Å
992	L	83.4	Confident	70.3	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.6	-174	-54.2	178.7	0	0	0	116	V842 L850 L869 L933 I935 H939 G941 D942 I994	V842-L992 HydrophobicContact CB-CD2 4Å; V842-L992 HydrophobicContact CG2-CD2 4.49Å; L850-L992 HydrophobicContact CD2-CD2 3.85Å; L869-L992 HydrophobicContact CD1-CD1 4.29Å; L933-L992 HydrophobicContact CD2-CD1 3.47Å; L933-L992 VanDerWaalsContact CD2-CD1 3.47Å; I935-L992 HydrophobicContact CD1-CD1 4.45Å; H939-L992 HydrophobicContact CB-CD1 3.91Å; H939-L992 VanDerWaalsContact O-CB 3.26Å; H939-L992 WeakPolarHBondContact O-CB 3.36Å; G941-L992 PolarHBondContact N-O 2.76Å; D942-L992 HydrophobicContact CB-CD1 4.39Å; D942-L992 PolarHBondContact O-N 2.63Å; L992-I994 HydrophobicContact CB-CD1 4.4Å
993	S	84.9	Confident	71.3	Confident	14 Å²	14	35.9 Å²	35.9	10%	0.098	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	140	166.5	-176.8	0	0	0	0	115.6	L823 V842 Q843 A844 D940	L823-S993 WeakPolarHBondContact CD1-OG 3.49Å; V842-S993 PolarHBondContact O-N 2.84Å; Q843-S993 WeakPolarHBondContact CA-O 3.47Å; A844-S993 PolarHBondContact N-O 2.92Å; A844-S993 VanDerWaalsContact N-O 3.11Å; D940-S993 VanDerWaalsContact OD1-CA 3.22Å; D940-S993 WeakPolarHBondContact OD1-CA 3.16Å; D940-S993 WeakPolarHBondContact OD1-CB 3.29Å; D940-S993 PolarHBondContact OD1-OG 2.89Å
994	I	81.4	Confident	71.4	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.1	-157.8	-34.2	-53.5	0	0	0	114.4	A844 I935 H939 D940 L992 N1043	A844-I994 WeakPolarHBondContact O-CA 3.23Å; I935-I994 HydrophobicContact CD1-CD1 4.3Å; I935-I994 HydrophobicContact CG2-CB 4.25Å; I935-I994 HydrophobicContact CG2-CD1 3.27Å; I935-I994 HydrophobicContact CG2-CG1 3.8Å; I935-I994 HydrophobicContact CG2-CG2 3.46Å; I935-I994 VanDerWaalsContact CG2-CG2 3.46Å; H939-I994 HydrophobicContact CB-CD1 4.34Å; H939-I994 HydrophobicContact CB-CG1 4.21Å; D940-I994 HydrophobicContact CB-CB 4.02Å; D940-I994 HydrophobicContact CB-CG1 3.96Å; D940-I994 PolarHBondContact OD1-N 3.43Å; L992-I994 HydrophobicContact CB-CD1 4.4Å; I994-N1043 PolarHBondContact O-ND2 3.12Å
995	Q	83	Confident	71.1	Confident	80 Å²	80	43 Å²	43	37%	0.374	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141.8	-179.4	-62.4	179.3	-29.2	0	0	113.8	A844 S846	A844-Q995 PolarHBondContact O-N 2.76Å; S846-Q995 WeakPolarHBondContact CB-O 3.37Å; S846-Q995 PolarHBondContact N-O 3.29Å
996	F	79.5	Confident	70.8	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	150.4	-174.5	55.7	-93.1	0	0	0	118.2	I937 D940 I999 I1041 N1043 N1119	I937-F996 HydrophobicContact CB-CB 4.48Å; I937-F996 HydrophobicContact CB-CD1 3.78Å; I937-F996 HydrophobicContact CB-CD2 4.43Å; I937-F996 HydrophobicContact CB-CE1 3.97Å; I937-F996 HydrophobicContact CB-CG 4.02Å; I937-F996 HydrophobicContact CB-CZ 4.36Å; I937-F996 HydrophobicContact CG2-CB 3.5Å; I937-F996 HydrophobicContact CG2-CD1 3.71Å; I937-F996 HydrophobicContact CG2-CD2 4.15Å; I937-F996 HydrophobicContact CG2-CE1 4.4Å; I937-F996 HydrophobicContact CG2-CG 3.56Å; D940-F996 HydrophobicContact CB-CE1 4.46Å; F996-I999 HydrophobicContact CB-CD1 4.02Å; F996-I999 HydrophobicContact CD2-CD1 3.95Å; F996-I999 HydrophobicContact CG-CD1 4.34Å; F996-I1041 HydrophobicContact CE2-CG2 3.94Å; F996-I1041 HydrophobicContact CZ-CG2 4.07Å; F996-N1043 HydrophobicContact CD1-CB 3.74Å; F996-N1043 HydrophobicContact CD2-CB 4.17Å; F996-N1043 HydrophobicContact CE1-CB 3.66Å; F996-N1043 HydrophobicContact CE2-CB 4.11Å; F996-N1043 HydrophobicContact CG-CB 4.01Å; F996-N1043 HydrophobicContact CZ-CB 3.87Å; F996-N1043 PolarHBondContact N-O 3.47Å; F996-N1043 VanDerWaalsContact N-O 3.16Å; F996-N1043 CarbonylContact O-C 3.57Å; F996-N1043 VanDerWaalsContact O-C 3.3Å; F996-N1043 PolarHBondContact O-N 2.63Å; F996-N1119 PolarHBondContact O-ND2 2.88Å
997	P	82.2	Confident	70.2	Confident	54 Å²	54	40.4 Å²	40.4	35%	0.351	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-176.6	175.6	33.3	-38.8	0	0	0	113.4	I999 L1121	P997-I999 WeakPolarHBondContact O-CG1 3.33Å; P997-I999 PolarHBondContact O-N 2.68Å; P997-L1121 HydrophobicContact CB-CB 4.16Å
998	P	81.2	Confident	68.7	Low	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.4	179.5	-16.9	33.1	0	0	0	111.4	P1040 L1046 A1117 N1119 G1122 K1124	P998-P1040 HydrophobicContact CB-CB 4.29Å; P998-L1046 HydrophobicContact CB-CD2 3.88Å; P998-L1046 HydrophobicContact CG-CD2 4.19Å; P998-A1117 HydrophobicContact CB-CB 4.44Å; P998-N1119 WeakPolarHBondContact CD-OD1 3.45Å; P998-N1119 HydrophobicContact CG-CB 3.91Å; P998-G1122 VanDerWaalsContact CD-O 3.24Å; P998-G1122 WeakPolarHBondContact CD-O 3.05Å; P998-G1122 WeakPolarHBondContact CG-O 3.42Å; P998-K1124 HydrophobicContact CB-CB 4.29Å; P998-K1124 VanDerWaalsContact O-CB 3.22Å; P998-K1124 WeakPolarHBondContact O-CB 3.47Å; P998-K1124 WeakPolarHBondContact O-CG 3.31Å
999	I	72.5	Confident	66.8	Low	13 Å²	13	42.7 Å²	42.7	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	110.7	-168.3	-81.5	172.3	0	0	0	105.8	I937 F996 P997 L1001 P1040 I1041 N2081	I937-I999 HydrophobicContact CD1-CB 4.45Å; I937-I999 HydrophobicContact CD1-CD1 3.73Å; I937-I999 HydrophobicContact CD1-CG2 3.41Å; I937-I999 VanDerWaalsContact CD1-CG2 3.41Å; I937-I999 HydrophobicContact CG2-CD1 3.78Å; F996-I999 HydrophobicContact CB-CD1 4.02Å; F996-I999 HydrophobicContact CD2-CD1 3.95Å; F996-I999 HydrophobicContact CG-CD1 4.34Å; P997-I999 WeakPolarHBondContact O-CG1 3.33Å; P997-I999 PolarHBondContact O-N 2.68Å; I999-L1001 HydrophobicContact CG2-CD1 3.64Å; I999-L1001 HydrophobicContact CG2-CG 3.93Å; I999-P1040 CarbonylContact O-C 3.39Å; I999-P1040 WeakPolarHBondContact O-CA 3.42Å; I999-I1041 PolarHBondContact N-O 2.98Å; I999-I1041 PolarHBondContact O-N 3.49Å; I999-N2081 WeakPolarHBondContact CG2-ND2 3.31Å
1000	F	73	Confident	64.4	Low	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.			trans	-71.6	154.7	168.7	-38.2	-99	0	0	0	107.5	L1003 P1040 A1117 K1124 N1998 N1999 V2078 D2080 N2081	F1000-L1003 HydrophobicContact CB-CD1 3.49Å; F1000-L1003 VanDerWaalsContact CB-CD1 3.49Å; F1000-P1040 HydrophobicContact CD1-CB 3.45Å; F1000-P1040 VanDerWaalsContact CD1-CB 3.45Å; F1000-P1040 HydrophobicContact CD1-CG 3.64Å; F1000-P1040 HydrophobicContact CD2-CB 4.41Å; F1000-P1040 HydrophobicContact CE1-CB 3.59Å; F1000-P1040 HydrophobicContact CE1-CG 3.34Å; F1000-P1040 HydrophobicContact CE2-CB 4.49Å; F1000-P1040 HydrophobicContact CG-CB 3.9Å; F1000-P1040 HydrophobicContact CZ-CB 4.12Å; F1000-P1040 HydrophobicContact CZ-CG 4.02Å; F1000-A1117 HydrophobicContact CE1-CB 4.07Å; F1000-A1117 HydrophobicContact CZ-CB 3.65Å; F1000-K1124 HydrophobicContact CE2-CB 4.09Å; F1000-K1124 HydrophobicContact CE2-CG 4.05Å; F1000-N1998 WeakPolarHBondContact CD1-ND2 3.32Å; F1000-N1998 WeakPolarHBondContact CE1-ND2 3.13Å; F1000-N1999 WeakPolarHBondContact CD1-ND2 3.44Å; F1000-N1999 WeakPolarHBondContact CE1-ND2 3.39Å; F1000-N1999 WeakPolarHBondContact CZ-ND2 3.3Å; F1000-V2078 HydrophobicContact CD2-CG1 4.18Å; F1000-V2078 HydrophobicContact CE2-CG1 3.45Å; F1000-V2078 VanDerWaalsContact CE2-CG1 3.45Å; F1000-V2078 HydrophobicContact CZ-CG1 3.89Å; F1000-D2080 VanDerWaalsContact CA-OD1 3.32Å; F1000-D2080 WeakPolarHBondContact CA-OD1 3.38Å; F1000-D2080 WeakPolarHBondContact CA-OD2 3.17Å; F1000-D2080 VanDerWaalsContact CB-OD1 3.27Å; F1000-D2080 WeakPolarHBondContact CB-OD1 3.4Å; F1000-D2080 VanDerWaalsContact CB-OD2 3.25Å; F1000-D2080 WeakPolarHBondContact CB-OD2 3.41Å; F1000-D2080 PolarHBondContact N-OD1 2.96Å; F1000-D2080 VanDerWaalsContact N-OD1 3.09Å; F1000-N2081 PolarHBondContact O-ND2 3.29Å; F1000-N2081 VanDerWaalsContact O-ND2 3.1Å
1001	L	58.7	Low	61.7	Low	53 Å²	53	46.1 Å²	46.1	28%	0.277	24%	0.241	S	C	.	.			trans	-152.4	-2.7	-173.4	-103.7	161	0	0	0	113.8	V875 I937 I999 I1041 D2080	V875-L1001 HydrophobicContact CG1-CB 4.38Å; V875-L1001 HydrophobicContact CG2-CB 4.44Å; V875-L1001 HydrophobicContact CG2-CD1 3.75Å; V875-L1001 HydrophobicContact CG2-CD2 4.24Å; V875-L1001 HydrophobicContact CG2-CG 4.36Å; I937-L1001 HydrophobicContact CD1-CD1 3.97Å; I999-L1001 HydrophobicContact CG2-CD1 3.64Å; I999-L1001 HydrophobicContact CG2-CG 3.93Å; L1001-I1041 HydrophobicContact CB-CD1 4.04Å; L1001-I1041 HydrophobicContact CB-CG1 4.5Å; L1001-I1041 HydrophobicContact CD1-CB 4.5Å; L1001-I1041 HydrophobicContact CD1-CD1 3.94Å; L1001-D2080 PolarHBondContact N-OD2 3.03Å
1002	T	52.8	Low	59	Low	54 Å²	54	49.9 Å²	49.9	33%	0.331	26%	0.258	S	S	.	.			trans	-96.8	1	-170.6	52.3	0	0	0	0	114.4
1003	L	53	Low	56.4	Low	9 Å²	9	52.9 Å²	52.9	5%	0.047	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-22.7	-156.9	-73.2	103.3	0	0	0	115.6	F1000 K1005 Q1006 L1007 L1038 N1999 S2079 D2080	F1000-L1003 HydrophobicContact CB-CD1 3.49Å; F1000-L1003 VanDerWaalsContact CB-CD1 3.49Å; L1003-K1005 PolarHBondContact O-N 3.21Å; L1003-Q1006 PolarHBondContact O-N 3.06Å; L1003-Q1006 VanDerWaalsContact O-N 3.15Å; L1003-L1007 HydrophobicContact CB-CD1 3.69Å; L1003-L1007 HydrophobicContact CD2-CD1 3.44Å; L1003-L1007 VanDerWaalsContact CD2-CD1 3.44Å; L1003-L1007 HydrophobicContact CG-CD1 4.04Å; L1003-L1007 PolarHBondContact O-N 3.03Å; L1003-L1038 HydrophobicContact CD1-CB 4.07Å; L1003-L1038 HydrophobicContact CD2-CB 4.05Å; L1003-L1038 HydrophobicContact CD2-CD1 3.31Å; L1003-L1038 HydrophobicContact CD2-CD2 4.06Å; L1003-L1038 HydrophobicContact CD2-CG 3.95Å; L1003-L1038 HydrophobicContact CG-CB 3.92Å; L1003-L1038 HydrophobicContact CG-CD1 4Å; L1003-L1038 HydrophobicContact CG-CD2 3.86Å; L1003-L1038 HydrophobicContact CG-CG 4.09Å; L1003-N1999 HydrophobicContact CD2-CB 3.8Å; L1003-N1999 WeakPolarHBondContact CD2-O 3.31Å; L1003-S2079 VanDerWaalsContact CD2-CB 3.4Å; L1003-S2079 WeakPolarHBondContact CD2-OG 3.45Å; L1003-D2080 VanDerWaalsContact CD1-OD2 3.23Å; L1003-D2080 WeakPolarHBondContact CD1-OD2 3.13Å
1004	T	44.5	Very low	53.6	Low	96 Å²	96	59.9 Å²	59.9	59%	0.589	31%	0.31	S	S	*	.	H	α-helix	trans	-60.5	-26.8	172.5	46.6	0	0	0	0	113
1005	K	41.5	Very low	51	Low	190 Å²	190	63 Å²	63	83%	0.826	33%	0.332	S	S	*	.	H	α-helix	trans	-84.1	-8.7	177.1	-80	-168.6	176.2	-177.9	0	115.3	L1003	L1003-K1005 PolarHBondContact O-N 3.21Å
1006	Q	48.9	Very low	48.5	Very low	73 Å²	73	62.8 Å²	62.8	34%	0.341	34%	0.337	S	S	.	.	H	α-helix	trans	-120.6	-33.9	177.9	-66	-167.4	-5.7	0	0	113.3	L1003 Y1026 L1036 L1038	L1003-Q1006 PolarHBondContact O-N 3.06Å; L1003-Q1006 VanDerWaalsContact O-N 3.15Å; Q1006-Y1026 VanDerWaalsContact O-CE2 3.3Å; Q1006-Y1026 WeakPolarHBondContact O-CE2 3.25Å; Q1006-L1036 HydrophobicContact CB-CD2 3.92Å; Q1006-L1036 VanDerWaalsContact OE1-CA 3.3Å; Q1006-L1038 HydrophobicContact CB-CD2 3.96Å; Q1006-L1038 HydrophobicContact CG-CD2 4.19Å
1007	L	50.7	Low	46	Very low	15 Å²	15	64.5 Å²	64.5	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-86.2	-11.2	179.9	-76.2	106.9	0	0	0	115.7	L1003 W1009 Y1026 F1128	L1003-L1007 HydrophobicContact CB-CD1 3.69Å; L1003-L1007 HydrophobicContact CD2-CD1 3.44Å; L1003-L1007 VanDerWaalsContact CD2-CD1 3.44Å; L1003-L1007 HydrophobicContact CG-CD1 4.04Å; L1003-L1007 PolarHBondContact O-N 3.03Å; L1007-W1009 HydrophobicContact CB-CB 4.3Å; L1007-W1009 PolarHBondContact O-N 2.83Å; L1007-Y1026 HydrophobicContact CB-CD2 4.5Å; L1007-Y1026 HydrophobicContact CD2-CD2 4.22Å; L1007-Y1026 HydrophobicContact CG-CD2 3.93Å; L1007-Y1026 HydrophobicContact CG-CE2 4.5Å; L1007-F1128 HydrophobicContact CD2-CD1 3.54Å; L1007-F1128 HydrophobicContact CD2-CE1 3.51Å
1008	N	38.7	Very low	43.7	Very low	106 Å²	106	66.8 Å²	66.8	57%	0.567	36%	0.356	S	S	*	.			trans	49.6	30	-172.6	-83	-1.2	0	0	0	114	P1010	N1008-P1010 WeakPolarHBondContact O-CD 3.39Å
1009	W	40.5	Very low	41.1	Very low	77 Å²	77	72.9 Å²	72.9	29%	0.292	39%	0.389	S	S	.	.			trans	-83.7	120.5	-172.4	-161.3	-99.8	0	0	0	112	L1007 V1011 P1024 H1025	L1007-W1009 HydrophobicContact CB-CB 4.3Å; L1007-W1009 PolarHBondContact O-N 2.83Å; W1009-V1011 PolarHBondContact O-N 3.08Å; W1009-P1024 HydrophobicContact CD2-CB 3.38Å; W1009-P1024 VanDerWaalsContact CE2-CB 3.48Å; W1009-P1024 HydrophobicContact CE3-CB 3.6Å; W1009-P1024 HydrophobicContact CG-CB 3.95Å; W1009-P1024 HydrophobicContact CH2-CB 3.99Å; W1009-P1024 HydrophobicContact CZ2-CB 3.78Å; W1009-P1024 HydrophobicContact CZ3-CB 3.91Å; W1009-H1025 HydrophobicContact CH2-CB 4.39Å; W1009-H1025 HydrophobicContact CZ3-CB 4.07Å
1010	P	31.9	Very low	39.2	Very low	41 Å²	41	78.1 Å²	78.1	27%	0.266	41%	0.413	S	S	.	.			trans	-71.6	125.6	176.7	29.3	-33.3	0	0	0	110.5	N1008 E1012 I1526	N1008-P1010 WeakPolarHBondContact O-CD 3.39Å; P1010-E1012 PolarHBondContact O-N 2.87Å; P1010-I1526 HydrophobicContact CB-CD1 3.78Å; P1010-I1526 HydrophobicContact CB-CG1 3.92Å
1011	V	29.8	Very low	37.6	Very low	79 Å²	79	84 Å²	84	48%	0.479	44%	0.441	S	S	.	.			trans	-95.2	62.4	-178.3	-176.2	0	0	0	0	110.3	W1009	W1009-V1011 PolarHBondContact O-N 3.08Å
1012	E	26.9	Very low	36.8	Very low	86 Å²	86	86.5 Å²	86.5	40%	0.402	45%	0.449	S	S	.	.			trans	-126.2	95.1	167.6	-69.2	-158.3	157.8	0	0	109.9	P1010 I1526 Q1527	P1010-E1012 PolarHBondContact O-N 2.87Å; E1012-I1526 HydrophobicContact CG-CG1 4.27Å; E1012-I1526 VanDerWaalsContact OE2-CA 3.3Å; E1012-I1526 WeakPolarHBondContact OE2-CA 3.4Å; E1012-Q1527 WeakPolarHBondContact OE1-CG 3.35Å; E1012-Q1527 PolarHBondContact OE1-NE2 3.41Å; E1012-Q1527 PolarHBondContact OE2-N 2.89Å
1013	L	28.7	Very low	37	Very low	65 Å²	65	86.2 Å²	86.2	34%	0.34	45%	0.445	S	S	.	.			trans	-157.8	50.4	171	-125.7	173.5	0	0	0	112.1	S1015 F1022 M2004	L1013-S1015 VanDerWaalsContact C-N 3.33Å; L1013-S1015 PolarHBondContact O-N 3.38Å; L1013-F1022 HydrophobicContact CD1-CD2 4.04Å; L1013-F1022 HydrophobicContact CD1-CE2 4.4Å; L1013-M2004 HydrophobicContact CD2-CG 4.2Å; L1013-M2004 HydrophobicContact CD2-SD 3.61Å
1014	N	25.4	Very low	37.6	Very low	162 Å²	162	86 Å²	86	87%	0.866	44%	0.444	S	S	*	.			trans	-92.8	65	167.3	-83.5	5.2	0	0	0	110.2
1015	S	28.4	Very low	38.7	Very low	66 Å²	66	84.8 Å²	84.8	46%	0.462	43%	0.432	S	S	.	.			trans	-104.6	113.9	159.2	178.4	0	0	0	0	107.5	L1013 N1017 S2005	L1013-S1015 VanDerWaalsContact C-N 3.33Å; L1013-S1015 PolarHBondContact O-N 3.38Å; S1015-N1017 PolarHBondContact O-N 3.39Å; S1015-N1017 VanDerWaalsContact O-N 3.16Å; S1015-S2005 WeakPolarHBondContact O-CB 3.34Å; S1015-S2005 PolarHBondContact O-OG 3.16Å
1016	P	29.1	Very low	40.2	Very low	75 Å²	75	77.6 Å²	77.6	49%	0.487	40%	0.4	S	S	.	.			trans	-81.6	78.1	171.7	31.8	-31.6	0	0	0	111.3	S2005 I2006	P1016-S2005 VanDerWaalsContact CA-OG 3.29Å; P1016-S2005 WeakPolarHBondContact CA-OG 3.31Å; P1016-I2006 WeakPolarHBondContact O-CA 3.31Å
1017	N	28.5	Very low	41.5	Very low	40 Å²	40	78.7 Å²	78.7	21%	0.214	41%	0.407	C	S	.	.			trans	-167.8	127.7	159.4	-101.2	-8.4	0	0	0	113.4	S1015 S2005 I2006 E2007	S1015-N1017 PolarHBondContact O-N 3.39Å; S1015-N1017 VanDerWaalsContact O-N 3.16Å; N1017-S2005 CarbonylContact C-O 3.49Å; N1017-S2005 VanDerWaalsContact CA-O 3.27Å; N1017-S2005 WeakPolarHBondContact CA-O 3.42Å; N1017-S2005 PolarHBondContact N-OG 3.24Å; N1017-I2006 VanDerWaalsContact OD1-CG1 3.24Å; N1017-I2006 WeakPolarHBondContact OD1-CG1 3.17Å; N1017-E2007 PolarHBondContact ND2-OE1 2.83Å; N1017-E2007 WeakPolarHBondContact OD1-CB 3.23Å; N1017-E2007 VanDerWaalsContact OD1-CD 3.27Å; N1017-E2007 WeakPolarHBondContact OD1-CG 3.3Å; N1017-E2007 PolarHBondContact OD1-OE1 3.22Å
1018	N	32.8	Very low	42.6	Very low	102 Å²	102	78.5 Å²	78.5	55%	0.545	41%	0.407	S	S	.	.			trans	93.6	104.3	171.6	-56.1	-52.6	0	0	0	118.1	E1020 M2004 S2005	N1018-E1020 PolarHBondContact O-N 3.15Å; N1018-M2004 WeakPolarHBondContact O-CB 3.2Å; N1018-S2005 PolarHBondContact N-O 2.94Å
1019	N	27.8	Very low	44.3	Very low	129 Å²	129	75 Å²	75	69%	0.69	39%	0.389	S	S	*	.			trans	-60.5	108.3	177.3	-69.2	-18.4	0	0	0	115.2	M2004 S2005	N1019-M2004 WeakPolarHBondContact CA-O 3.48Å; N1019-M2004 PolarHBondContact OD1-O 2.85Å; N1019-S2005 PolarHBondContact OD1-N 3.3Å
1020	E	32.1	Very low	46.3	Very low	122 Å²	122	75 Å²	75	57%	0.57	39%	0.393	S	S	*	.			trans	-146.7	175.3	163.2	-76.8	-166.5	165.6	0	0	109	N1018 N2003 M2004	N1018-E1020 PolarHBondContact O-N 3.15Å; E1020-N2003 HydrophobicContact CB-CB 3.88Å; E1020-N2003 CarbonylContact O-C 3.3Å; E1020-N2003 VanDerWaalsContact O-C 3.29Å; E1020-N2003 WeakPolarHBondContact O-CB 3.04Å; E1020-N2003 PolarHBondContact OE2-ND2 3.06Å; E1020-N2003 VanDerWaalsContact OE2-ND2 3.15Å; E1020-M2004 PolarHBondContact O-N 3.07Å
1021	Q	38.2	Very low	48.4	Very low	125 Å²	125	75 Å²	75	58%	0.584	40%	0.399	S	S	*	.			trans	-127.2	105.8	161.6	-73.3	-167.2	-16.1	0	0	112.6	L1023 R2002	Q1021-L1023 HydrophobicContact CB-CD2 4.37Å; Q1021-L1023 WeakPolarHBondContact O-CD2 3.45Å; Q1021-L1023 WeakPolarHBondContact O-CG 3.08Å; Q1021-L1023 PolarHBondContact O-N 3.33Å; Q1021-R2002 CarbonylContact C-O 3.57Å; Q1021-R2002 WeakPolarHBondContact CA-O 3.43Å; Q1021-R2002 WeakPolarHBondContact CB-O 3.08Å; Q1021-R2002 WeakPolarHBondContact CG-O 2.88Å
1022	F	42.7	Very low	50.5	Low	105 Å²	105	72 Å²	72	46%	0.461	39%	0.385	S	S	.	.			trans	-77.1	108.3	176.7	-97.5	-9.7	0	0	0	108.2	L1013 P1024 R2002 N2003	L1013-F1022 HydrophobicContact CD1-CD2 4.04Å; L1013-F1022 HydrophobicContact CD1-CE2 4.4Å; F1022-P1024 VanDerWaalsContact O-CD 3.28Å; F1022-P1024 WeakPolarHBondContact O-CD 3.29Å; F1022-R2002 PolarHBondContact N-O 2.9Å; F1022-R2002 CarbonylContact O-C 3.55Å; F1022-R2002 WeakPolarHBondContact O-CA 3.34Å; F1022-R2002 VanDerWaalsContact O-CB 3.31Å; F1022-R2002 WeakPolarHBondContact O-CB 3.1Å; F1022-R2002 PolarHBondContact O-N 2.91Å; F1022-N2003 HydrophobicContact CB-CB 4Å; F1022-N2003 VanDerWaalsContact CB-CG 3.42Å; F1022-N2003 WeakPolarHBondContact CB-OD1 3.4Å; F1022-N2003 WeakPolarHBondContact CD1-ND2 3.49Å; F1022-N2003 VanDerWaalsContact CD2-CG 3.4Å; F1022-N2003 WeakPolarHBondContact CD2-ND2 3.46Å; F1022-N2003 WeakPolarHBondContact CD2-OD1 3.09Å; F1022-N2003 WeakPolarHBondContact CE1-ND2 3.15Å; F1022-N2003 WeakPolarHBondContact CE2-OD1 3.33Å; F1022-N2003 HydrophobicContact CG-CB 4.32Å; F1022-N2003 WeakPolarHBondContact CG-ND2 3.22Å; F1022-N2003 WeakPolarHBondContact CG-OD1 3.07Å
1023	L	57.5	Low	52.7	Low	47 Å²	47	71 Å²	71	25%	0.246	39%	0.387	C	S	.	.			trans	-80.4	110	-174.2	-43.3	-176.2	0	0	0	108.1	Q1021 H1025 T1127 F1128 F1129	Q1021-L1023 HydrophobicContact CB-CD2 4.37Å; Q1021-L1023 WeakPolarHBondContact O-CD2 3.45Å; Q1021-L1023 WeakPolarHBondContact O-CG 3.08Å; Q1021-L1023 PolarHBondContact O-N 3.33Å; L1023-H1025 PolarHBondContact O-CD2 3.39Å; L1023-H1025 PolarHBondContact O-N 3.46Å; L1023-H1025 PolarHBondContact O-NE2 2.91Å; L1023-T1127 HydrophobicContact CD1-CG2 3.85Å; L1023-T1127 HydrophobicContact CD2-CG2 3.65Å; L1023-T1127 WeakPolarHBondContact CD2-O 3.43Å; L1023-T1127 HydrophobicContact CG-CG2 4.3Å; L1023-F1128 VanDerWaalsContact CA-CA 3.5Å; L1023-F1128 WeakPolarHBondContact CB-O 2.66Å; L1023-F1129 HydrophobicContact CB-CB 4.42Å
1024	P	64.5	Low	55.1	Low	4 Å²	4	67.9 Å²	67.9	3%	0.026	37%	0.371	C	S	.	.			trans	-61.3	132.9	-168	18.4	-30.7	0	0	0	112.2	W1009 F1022 Y1026 F1128 F1129 C2001	W1009-P1024 HydrophobicContact CD2-CB 3.38Å; W1009-P1024 VanDerWaalsContact CE2-CB 3.48Å; W1009-P1024 HydrophobicContact CE3-CB 3.6Å; W1009-P1024 HydrophobicContact CG-CB 3.95Å; W1009-P1024 HydrophobicContact CH2-CB 3.99Å; W1009-P1024 HydrophobicContact CZ2-CB 3.78Å; W1009-P1024 HydrophobicContact CZ3-CB 3.91Å; F1022-P1024 VanDerWaalsContact O-CD 3.28Å; F1022-P1024 WeakPolarHBondContact O-CD 3.29Å; P1024-Y1026 PolarHBondContact O-N 3.22Å; P1024-F1128 VanDerWaalsContact CD-CB 3.49Å; P1024-F1128 HydrophobicContact CG-CB 3.61Å; P1024-F1128 HydrophobicContact CG-CD1 4.36Å; P1024-F1128 VanDerWaalsContact O-CB 3.3Å; P1024-F1128 WeakPolarHBondContact O-CB 3.22Å; P1024-F1128 VanDerWaalsContact O-CD1 3.24Å; P1024-F1128 WeakPolarHBondContact O-CD1 3.49Å; P1024-F1128 WeakPolarHBondContact O-CG 2.78Å; P1024-F1129 PolarHBondContact O-N 3.2Å; P1024-C2001 WeakPolarHBondContact CD-O 3.42Å; P1024-C2001 VanDerWaalsContact CG-C 3.49Å; P1024-C2001 WeakPolarHBondContact CG-O 3.38Å
1025	H	68.3	Low	57.8	Low	71 Å²	71	64.1 Å²	64.1	33%	0.329	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	104.7	-170.4	-64.2	-94.6	0	0	0	109.3	W1009 L1023 I1027 F1129 N1131	W1009-H1025 HydrophobicContact CH2-CB 4.39Å; W1009-H1025 HydrophobicContact CZ3-CB 4.07Å; L1023-H1025 PolarHBondContact O-CD2 3.39Å; L1023-H1025 PolarHBondContact O-N 3.46Å; L1023-H1025 PolarHBondContact O-NE2 2.91Å; H1025-I1027 HydrophobicContact CB-CG1 4.32Å; H1025-I1027 PolarHBondContact O-N 2.89Å; H1025-F1129 CarbonylContact C-O 3.54Å; H1025-F1129 VanDerWaalsContact CA-O 3.23Å; H1025-F1129 WeakPolarHBondContact CA-O 3.46Å; H1025-F1129 AromaticContact ND1-CD1 3.48Å; H1025-F1129 WeakPolarHBondContact ND1-CD1 3.1Å; H1025-F1129 AromaticContact ND1-CG 3.85Å; H1025-N1131 HydrophobicContact CB-CB 4.06Å
1026	Y	74	Confident	60.2	Low	39 Å²	39	61 Å²	61	15%	0.153	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	106.9	164.7	-166	-78.8	0	0	0	107.9	Q1006 L1007 P1024 V1028 L1034 L1036 F1129 L1130 N1131	Q1006-Y1026 VanDerWaalsContact O-CE2 3.3Å; Q1006-Y1026 WeakPolarHBondContact O-CE2 3.25Å; L1007-Y1026 HydrophobicContact CB-CD2 4.5Å; L1007-Y1026 HydrophobicContact CD2-CD2 4.22Å; L1007-Y1026 HydrophobicContact CG-CD2 3.93Å; L1007-Y1026 HydrophobicContact CG-CE2 4.5Å; P1024-Y1026 PolarHBondContact O-N 3.22Å; Y1026-V1028 HydrophobicContact CD1-CG2 3.48Å; Y1026-V1028 VanDerWaalsContact CD1-CG2 3.48Å; Y1026-V1028 HydrophobicContact CE1-CG2 3.46Å; Y1026-V1028 VanDerWaalsContact CE1-CG2 3.46Å; Y1026-L1034 HydrophobicContact CD1-CD1 3.41Å; Y1026-L1034 VanDerWaalsContact CD1-CD1 3.41Å; Y1026-L1034 HydrophobicContact CE1-CD1 3.14Å; Y1026-L1034 HydrophobicContact CE2-CD1 4.3Å; Y1026-L1034 HydrophobicContact CG-CD1 4.11Å; Y1026-L1036 HydrophobicContact CD2-CD1 4.21Å; Y1026-L1036 HydrophobicContact CD2-CD2 4.16Å; Y1026-L1036 HydrophobicContact CE2-CD1 4.25Å; Y1026-L1036 HydrophobicContact CE2-CD2 3.7Å; Y1026-L1036 HydrophobicContact CE2-CG 4.15Å; Y1026-F1129 PolarHBondContact N-O 3.5Å; Y1026-L1130 HydrophobicContact CD1-CD1 3.71Å; Y1026-L1130 HydrophobicContact CG-CD1 4.34Å; Y1026-N1131 PolarHBondContact O-N 2.83Å
1027	I	74.9	Confident	62.5	Low	96 Å²	96	59 Å²	59	49%	0.492	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.8	-172.7	-63.6	169.2	0	0	0	109.9	H1025 N1131 T1133	H1025-I1027 HydrophobicContact CB-CG1 4.32Å; H1025-I1027 PolarHBondContact O-N 2.89Å; I1027-N1131 WeakPolarHBondContact CA-O 3.19Å; I1027-N1131 HydrophobicContact CG1-CB 4.24Å; I1027-T1133 HydrophobicContact CG2-CG2 3.77Å
1028	V	73.3	Confident	64.8	Low	12 Å²	12	57.1 Å²	57.1	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136	173.2	-165.1	0	0	0	0	110.2	Y1026 L1034 V1105 L1130 N1131 V1132 T1133	Y1026-V1028 HydrophobicContact CD1-CG2 3.48Å; Y1026-V1028 VanDerWaalsContact CD1-CG2 3.48Å; Y1026-V1028 HydrophobicContact CE1-CG2 3.46Å; Y1026-V1028 VanDerWaalsContact CE1-CG2 3.46Å; V1028-L1034 HydrophobicContact CG2-CD1 4.44Å; V1028-V1105 HydrophobicContact CB-CG1 4.29Å; V1028-V1105 HydrophobicContact CG1-CB 4.09Å; V1028-V1105 HydrophobicContact CG1-CG1 4.3Å; V1028-V1105 HydrophobicContact CG1-CG2 4.08Å; V1028-L1130 HydrophobicContact CG2-CD1 3.67Å; V1028-N1131 PolarHBondContact N-O 2.77Å; V1028-V1132 CarbonylContact O-C 3.57Å; V1028-V1132 VanDerWaalsContact O-CA 3.26Å; V1028-V1132 WeakPolarHBondContact O-CA 3.44Å; V1028-T1133 PolarHBondContact O-N 3.38Å; V1028-T1133 PolarHBondContact O-OG1 2.78Å
1029	V	75.7	Confident	67	Low	33 Å²	33	55 Å²	55	20%	0.2	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139.3	170.2	171.2	0	0	0	0	110.3	G1031 G1032 M1514	V1029-G1031 PolarHBondContact O-N 2.73Å; V1029-G1031 VanDerWaalsContact O-N 3.14Å; V1029-G1032 PolarHBondContact O-N 2.79Å; V1029-M1514 HydrophobicContact CB-CE 3.84Å; V1029-M1514 HydrophobicContact CG1-CE 3.12Å; V1029-M1514 HydrophobicContact CG2-CB 4.26Å; V1029-M1514 HydrophobicContact CG2-CE 3.34Å
1030	E	81.9	Confident	69.2	Low	77 Å²	77	49.3 Å²	49.3	36%	0.36	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	117.9	168.6	176.6	161.4	-127.7	0	0	111.2	R1107 V1132 T1133	E1030-R1107 WeakPolarHBondContact OE1-CG 3.38Å; E1030-R1107 IonicContact OE1-NE 3.86Å; E1030-R1107 PolarHBondContact OE1-NE 2.74Å; E1030-R1107 IonicContact OE2-CZ 2.76Å; E1030-R1107 VanDerWaalsContact OE2-CZ 3.26Å; E1030-R1107 IonicContact OE2-NE 2.6Å; E1030-R1107 PolarHBondContact OE2-NE 3.03Å; E1030-R1107 IonicContact OE2-NH2 2.66Å; E1030-R1107 PolarHBondContact OE2-NH2 2.9Å; E1030-V1132 HydrophobicContact CB-CG1 4.16Å; E1030-T1133 PolarHBondContact N-O 2.95Å
1031	G	76.3	Confident	71.2	Confident	39 Å²	39	45.3 Å²	45.3	40%	0.402	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.6	-17.2	-171.2	0	0	0	0	0	115	V1029 P1104 V1105	V1029-G1031 PolarHBondContact O-N 2.73Å; V1029-G1031 VanDerWaalsContact O-N 3.14Å; G1031-P1104 WeakPolarHBondContact O-CB 3.29Å; G1031-V1105 PolarHBondContact N-O 2.83Å
1032	G	73.4	Confident	73	Confident	18 Å²	18	39.9 Å²	39.9	19%	0.186	22%	0.219	C	C	.	.			trans	-71.6	-170.4	-179.1	0	0	0	0	0	115.2	V1029 P1104 V1105	V1029-G1032 PolarHBondContact O-N 2.79Å; G1032-P1104 CarbonylContact O-C 3.41Å; G1032-P1104 WeakPolarHBondContact O-CA 3.14Å; G1032-V1105 PolarHBondContact O-N 3.44Å
1033	S	74	Confident	74.6	Confident	64 Å²	64	36.3 Å²	36.3	45%	0.448	21%	0.205	S	C	.	.			trans	-125.3	150.2	-176.8	-50.8	0	0	0	0	112.1	I1102 H1103	S1033-I1102 CarbonylContact C-O 3.31Å; S1033-I1102 WeakPolarHBondContact CA-O 3.41Å; S1033-H1103 PolarHBondContact OG-ND1 2.01Å
1034	L	79.4	Confident	75.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.1	171.2	-168.7	67.5	0	0	0	108.7	Y1026 V1028 L1036 F1101 I1102 V1105 L1130	Y1026-L1034 HydrophobicContact CD1-CD1 3.41Å; Y1026-L1034 VanDerWaalsContact CD1-CD1 3.41Å; Y1026-L1034 HydrophobicContact CE1-CD1 3.14Å; Y1026-L1034 HydrophobicContact CE2-CD1 4.3Å; Y1026-L1034 HydrophobicContact CG-CD1 4.11Å; V1028-L1034 HydrophobicContact CG2-CD1 4.44Å; L1034-L1036 HydrophobicContact CD1-CD1 3.64Å; L1034-L1036 HydrophobicContact CD1-CG 4.06Å; L1034-L1036 HydrophobicContact CD2-CD1 4.34Å; L1034-L1036 HydrophobicContact CG-CD1 4.06Å; L1034-L1036 HydrophobicContact CG-CG 4.4Å; L1034-F1101 CarbonylContact O-C 3.46Å; L1034-F1101 VanDerWaalsContact O-CA 3.31Å; L1034-F1101 WeakPolarHBondContact O-CA 3.17Å; L1034-I1102 HydrophobicContact CB-CB 3.92Å; L1034-I1102 HydrophobicContact CB-CG1 4.34Å; L1034-I1102 HydrophobicContact CD2-CB 4.48Å; L1034-I1102 HydrophobicContact CD2-CD1 3.79Å; L1034-I1102 HydrophobicContact CD2-CG1 4.06Å; L1034-I1102 PolarHBondContact N-O 2.59Å; L1034-I1102 PolarHBondContact O-N 3.01Å; L1034-V1105 HydrophobicContact CB-CG2 4.25Å; L1034-L1130 HydrophobicContact CD1-CD1 3.97Å; L1034-L1130 HydrophobicContact CD2-CD1 4.19Å; L1034-L1130 HydrophobicContact CD2-CD2 4.26Å
1035	D	81.8	Confident	76.2	Confident	83 Å²	83	41 Å²	41	44%	0.444	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	117	166.9	-169.5	-2.6	0	0	0	107.4	I1100 F1101	D1035-I1100 VanDerWaalsContact CA-O 3.28Å; D1035-I1100 WeakPolarHBondContact CA-O 3.44Å; D1035-F1101 HydrophobicContact CB-CD2 4.17Å
1036	L	77.3	Confident	76.6	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	97.7	-166.5	-88.7	172.6	0	0	0	111.9	Q1006 Y1026 L1034 L1038 K1099 I1100 N1998	Q1006-L1036 HydrophobicContact CB-CD2 3.92Å; Q1006-L1036 VanDerWaalsContact OE1-CA 3.3Å; Y1026-L1036 HydrophobicContact CD2-CD1 4.21Å; Y1026-L1036 HydrophobicContact CD2-CD2 4.16Å; Y1026-L1036 HydrophobicContact CE2-CD1 4.25Å; Y1026-L1036 HydrophobicContact CE2-CD2 3.7Å; Y1026-L1036 HydrophobicContact CE2-CG 4.15Å; L1034-L1036 HydrophobicContact CD1-CD1 3.64Å; L1034-L1036 HydrophobicContact CD1-CG 4.06Å; L1034-L1036 HydrophobicContact CD2-CD1 4.34Å; L1034-L1036 HydrophobicContact CG-CD1 4.06Å; L1034-L1036 HydrophobicContact CG-CG 4.4Å; L1036-L1038 HydrophobicContact CB-CD1 4.25Å; L1036-L1038 HydrophobicContact CD2-CD1 3.95Å; L1036-L1038 HydrophobicContact CD2-CD2 4.17Å; L1036-K1099 WeakPolarHBondContact O-CA 3.4Å; L1036-I1100 HydrophobicContact CB-CG2 3.69Å; L1036-I1100 PolarHBondContact N-O 2.91Å; L1036-I1100 VanDerWaalsContact N-O 3.08Å; L1036-I1100 PolarHBondContact O-N 2.71Å; L1036-N1998 PolarHBondContact O-N 3.26Å
1037	D	77.6	Confident	76.9	Confident	32 Å²	32	43 Å²	43	17%	0.171	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	102.3	-177.7	-164.2	-0.7	0	0	0	113.2	T1098 K1099	D1037-T1098 WeakPolarHBondContact CA-O 3Å; D1037-T1098 WeakPolarHBondContact OD1-CB 3.46Å; D1037-T1098 PolarHBondContact OD1-OG1 3.21Å; D1037-K1099 VanDerWaalsContact CA-CB 3.47Å; D1037-K1099 HydrophobicContact CB-CB 3.47Å; D1037-K1099 VanDerWaalsContact CB-CB 3.47Å; D1037-K1099 HydrophobicContact CB-CD 4.05Å; D1037-K1099 HydrophobicContact CB-CG 3.7Å; D1037-K1099 PolarHBondContact OD1-N 2.56Å; D1037-K1099 VanDerWaalsContact OD1-N 3.11Å; D1037-K1099 IonicContact OD2-NZ 3.55Å; D1037-K1099 PolarHBondContact OD2-NZ 3.14Å
1038	L	77.6	Confident	77.3	Confident	1 Å²	1	45 Å²	45	1%	0.005	27%	0.267	C	S	.	.			trans	-140.3	138.4	-171.7	-17.1	142.6	0	0	0	108	L1003 Q1006 L1036 T1098 N1998 N1999	L1003-L1038 HydrophobicContact CD1-CB 4.07Å; L1003-L1038 HydrophobicContact CD2-CB 4.05Å; L1003-L1038 HydrophobicContact CD2-CD1 3.31Å; L1003-L1038 HydrophobicContact CD2-CD2 4.06Å; L1003-L1038 HydrophobicContact CD2-CG 3.95Å; L1003-L1038 HydrophobicContact CG-CB 3.92Å; L1003-L1038 HydrophobicContact CG-CD1 4Å; L1003-L1038 HydrophobicContact CG-CD2 3.86Å; L1003-L1038 HydrophobicContact CG-CG 4.09Å; Q1006-L1038 HydrophobicContact CB-CD2 3.96Å; Q1006-L1038 HydrophobicContact CG-CD2 4.19Å; L1036-L1038 HydrophobicContact CB-CD1 4.25Å; L1036-L1038 HydrophobicContact CD2-CD1 3.95Å; L1036-L1038 HydrophobicContact CD2-CD2 4.17Å; L1038-T1098 PolarHBondContact N-O 3.16Å; L1038-T1098 VanDerWaalsContact O-O 3.12Å; L1038-N1998 HydrophobicContact CB-CB 3.49Å; L1038-N1998 VanDerWaalsContact CB-CB 3.49Å; L1038-N1998 HydrophobicContact CD1-CB 3.72Å; L1038-N1998 HydrophobicContact CG-CB 3.81Å; L1038-N1998 WeakPolarHBondContact O-CB 3.42Å; L1038-N1998 PolarHBondContact O-ND2 2.64Å; L1038-N1999 HydrophobicContact CD1-CB 3.88Å
1039	E	77.7	Confident	77.8	Confident	57 Å²	57	46.5 Å²	46.5	27%	0.266	28%	0.277	S	S	.	.			trans	-149.6	130.6	-164.9	-170.7	178.2	167.2	0	0	109.2	R882 T1098	R882-E1039 IonicContact CZ-OE1 3.42Å; R882-E1039 IonicContact CZ-OE2 2.67Å; R882-E1039 IonicContact NH1-OE2 2.71Å; R882-E1039 PolarHBondContact NH1-OE2 3.26Å; R882-E1039 IonicContact NH2-OE1 3.48Å; R882-E1039 PolarHBondContact NH2-OE1 2.72Å; R882-E1039 IonicContact NH2-OE2 3.24Å; R882-E1039 PolarHBondContact NH2-OE2 3.07Å; E1039-T1098 HydrophobicContact CB-CG2 4.24Å; E1039-T1098 HydrophobicContact CG-CG2 3.92Å; E1039-T1098 WeakPolarHBondContact OE2-CG2 3.11Å
1040	P	74.1	Confident	78.2	Confident	10 Å²	10	46.4 Å²	46.4	7%	0.065	28%	0.278	C	S	.	.			trans	-82.6	127.9	-174	23.8	-22.4	0	0	0	113.7	P998 I999 F1000 L1046 A1117	P998-P1040 HydrophobicContact CB-CB 4.29Å; I999-P1040 CarbonylContact O-C 3.39Å; I999-P1040 WeakPolarHBondContact O-CA 3.42Å; F1000-P1040 HydrophobicContact CD1-CB 3.45Å; F1000-P1040 VanDerWaalsContact CD1-CB 3.45Å; F1000-P1040 HydrophobicContact CD1-CG 3.64Å; F1000-P1040 HydrophobicContact CD2-CB 4.41Å; F1000-P1040 HydrophobicContact CE1-CB 3.59Å; F1000-P1040 HydrophobicContact CE1-CG 3.34Å; F1000-P1040 HydrophobicContact CE2-CB 4.49Å; F1000-P1040 HydrophobicContact CG-CB 3.9Å; F1000-P1040 HydrophobicContact CZ-CB 4.12Å; F1000-P1040 HydrophobicContact CZ-CG 4.02Å; P1040-L1046 HydrophobicContact CB-CD2 4.25Å; P1040-L1046 HydrophobicContact CG-CD1 3.69Å; P1040-L1046 HydrophobicContact CG-CD2 3.82Å; P1040-L1046 HydrophobicContact CG-CG 4.39Å; P1040-A1117 HydrophobicContact CG-CB 3.69Å
1041	I	75.1	Confident	78.5	Confident	38 Å²	38	43 Å²	43	20%	0.195	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	143.4	165	-49.8	-174.9	0	0	0	107.8	V875 F996 I999 L1001	V875-I1041 HydrophobicContact CB-CD1 4.23Å; V875-I1041 HydrophobicContact CG1-CD1 4.02Å; V875-I1041 HydrophobicContact CG2-CD1 3.95Å; F996-I1041 HydrophobicContact CE2-CG2 3.94Å; F996-I1041 HydrophobicContact CZ-CG2 4.07Å; I999-I1041 PolarHBondContact N-O 2.98Å; I999-I1041 PolarHBondContact O-N 3.49Å; L1001-I1041 HydrophobicContact CB-CD1 4.04Å; L1001-I1041 HydrophobicContact CB-CG1 4.5Å; L1001-I1041 HydrophobicContact CD1-CB 4.5Å; L1001-I1041 HydrophobicContact CD1-CD1 3.94Å
1042	S	75.6	Confident	79	Confident	10 Å²	10	43.7 Å²	43.7	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	144.2	-174.6	50.4	0	0	0	0	110.7	R820 P1044 S1045 L1046	R820-S1042 PolarHBondContact NH1-O 3.06Å; S1042-P1044 CarbonylContact C-O 3Å; S1042-P1044 VanDerWaalsContact C-O 3.25Å; S1042-P1044 WeakPolarHBondContact CB-O 3.44Å; S1042-P1044 PolarHBondContact OG-O 2.83Å; S1042-S1045 WeakPolarHBondContact OG-CA 3.5Å; S1042-L1046 WeakPolarHBondContact OG-CD2 3.22Å; S1042-L1046 PolarHBondContact OG-N 3.49Å
1043	N	77.1	Confident	79.7	Confident	31 Å²	31	45 Å²	45	17%	0.166	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	87.5	177.4	-166.8	10	0	0	0	111.2	R820 I994 F996 L1121	R820-N1043 PolarHBondContact NH2-ND2 2.81Å; I994-N1043 PolarHBondContact O-ND2 3.12Å; F996-N1043 HydrophobicContact CD1-CB 3.74Å; F996-N1043 HydrophobicContact CD2-CB 4.17Å; F996-N1043 HydrophobicContact CE1-CB 3.66Å; F996-N1043 HydrophobicContact CE2-CB 4.11Å; F996-N1043 HydrophobicContact CG-CB 4.01Å; F996-N1043 HydrophobicContact CZ-CB 3.87Å; F996-N1043 PolarHBondContact N-O 3.47Å; F996-N1043 VanDerWaalsContact N-O 3.16Å; F996-N1043 CarbonylContact O-C 3.57Å; F996-N1043 VanDerWaalsContact O-C 3.3Å; F996-N1043 PolarHBondContact O-N 2.63Å; N1043-L1121 VanDerWaalsContact O-CD1 3.24Å; N1043-L1121 WeakPolarHBondContact O-CD1 3.3Å
1044	P	79.1	Confident	80.1	Confident	53 Å²	53	46.3 Å²	46.3	34%	0.344	26%	0.255	S	S	.	.	S	Bend	cis	-89	-179.7	17.8	36.1	-37.4	0	0	0	114.8	S1042 N1119 T1120	S1042-P1044 CarbonylContact C-O 3Å; S1042-P1044 VanDerWaalsContact C-O 3.25Å; S1042-P1044 WeakPolarHBondContact CB-O 3.44Å; S1042-P1044 PolarHBondContact OG-O 2.83Å; P1044-N1119 WeakPolarHBondContact O-CB 3.16Å; P1044-N1119 PolarHBondContact O-ND2 3.45Å; P1044-T1120 WeakPolarHBondContact CG-OG1 3.33Å
1045	S	76.8	Confident	80.1	Confident	95 Å²	95	48.8 Å²	48.8	66%	0.664	28%	0.28	S	S	*	.			trans	-63.9	163.9	-171.6	-46.8	0	0	0	0	116.7	S1042 N1119	S1042-S1045 WeakPolarHBondContact OG-CA 3.5Å; S1045-N1119 VanDerWaalsContact O-CB 3.29Å; S1045-N1119 WeakPolarHBondContact O-CB 3.28Å
1046	L	75.6	Confident	80	Confident	63 Å²	63	49.3 Å²	49.3	33%	0.33	28%	0.282	S	S	.	.			trans	-68.5	160.4	-175.1	-56.8	173.9	0	0	0	115.8	P998 P1040 S1042 T1118	P998-L1046 HydrophobicContact CB-CD2 3.88Å; P998-L1046 HydrophobicContact CG-CD2 4.19Å; P1040-L1046 HydrophobicContact CB-CD2 4.25Å; P1040-L1046 HydrophobicContact CG-CD1 3.69Å; P1040-L1046 HydrophobicContact CG-CD2 3.82Å; P1040-L1046 HydrophobicContact CG-CG 4.39Å; S1042-L1046 WeakPolarHBondContact OG-CD2 3.22Å; S1042-L1046 PolarHBondContact OG-N 3.49Å; L1046-T1118 CarbonylContact C-O 3.59Å; L1046-T1118 VanDerWaalsContact CA-O 3.25Å; L1046-T1118 WeakPolarHBondContact CA-O 2.97Å
1047	S	80.8	Confident	80.2	Confident	89 Å²	89	53.2 Å²	53.2	62%	0.622	31%	0.307	S	S	*	.			trans	-130.9	-20.8	176.9	63.6	0	0	0	0	116.5	T1118	S1047-T1118 PolarHBondContact N-O 3.46Å; S1047-T1118 PolarHBondContact OG-O 2.84Å
1048	K	83.4	Confident	80.4	Confident	138 Å²	138	53.4 Å²	53.4	60%	0.6	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.3	155.3	-176.6	-168.3	175.4	174.4	-171.7	0	114.3	A1117 T1118	K1048-A1117 WeakPolarHBondContact O-CA 2.91Å; K1048-T1118 PolarHBondContact O-N 2.9Å
1049	T	83.9	Confident	80.3	Confident	44 Å²	44	58.4 Å²	58.4	27%	0.27	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	145.2	174.2	53.6	0	0	0	0	112.7	I1116	T1049-I1116 WeakPolarHBondContact CA-O 3.27Å
1050	S	84.5	Confident	80	Confident	31 Å²	31	59.4 Å²	59.4	22%	0.217	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	140.5	177.6	56	0	0	0	0	116.8	L1115 I1116	S1050-L1115 WeakPolarHBondContact O-CA 3.15Å; S1050-L1115 WeakPolarHBondContact O-CB 3.19Å; S1050-L1115 WeakPolarHBondContact O-CG 3.38Å; S1050-I1116 PolarHBondContact N-O 3.16Å; S1050-I1116 PolarHBondContact O-N 3.29Å
1051	W	87.5	Confident	79.3	Confident	5 Å²	5	60.4 Å²	60.4	2%	0.019	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	147	-170.1	-74.5	86.7	0	0	0	118.1	P1057 L1058 V1095 K1096 I1100 Y1113 T1114 L1115 N1997 N2077	W1051-P1057 WeakPolarHBondContact O-CA 3.39Å; W1051-L1058 PolarHBondContact O-N 3.22Å; W1051-V1095 HydrophobicContact CB-CG1 4.28Å; W1051-V1095 HydrophobicContact CD2-CG1 3.46Å; W1051-V1095 VanDerWaalsContact CD2-CG1 3.46Å; W1051-V1095 HydrophobicContact CE3-CG1 4.07Å; W1051-V1095 HydrophobicContact CG-CG1 3.61Å; W1051-V1095 HydrophobicContact CH2-CG1 4.45Å; W1051-V1095 HydrophobicContact CZ2-CG1 3.72Å; W1051-K1096 PolarHBondContact NE1-O 3.44Å; W1051-I1100 HydrophobicContact CE3-CD1 4.5Å; W1051-I1100 HydrophobicContact CH2-CB 3.47Å; W1051-I1100 VanDerWaalsContact CH2-CB 3.47Å; W1051-I1100 HydrophobicContact CH2-CD1 3.33Å; W1051-I1100 HydrophobicContact CH2-CG1 3.88Å; W1051-I1100 HydrophobicContact CH2-CG2 3.63Å; W1051-I1100 HydrophobicContact CZ2-CB 3.7Å; W1051-I1100 HydrophobicContact CZ2-CD1 4.02Å; W1051-I1100 HydrophobicContact CZ2-CG1 4.25Å; W1051-I1100 HydrophobicContact CZ2-CG2 4.28Å; W1051-I1100 HydrophobicContact CZ3-CD1 3.6Å; W1051-Y1113 HydrophobicContact CZ3-CD1 4.21Å; W1051-Y1113 WeakPolarHBondContact CZ3-O 3.02Å; W1051-T1114 CarbonylContact C-O 2.95Å; W1051-T1114 VanDerWaalsContact C-O 3.3Å; W1051-T1114 WeakPolarHBondContact CA-O 3.38Å; W1051-L1115 HydrophobicContact CD2-CD1 4.21Å; W1051-L1115 HydrophobicContact CG-CD1 3.92Å; W1051-N1997 VanDerWaalsContact CH2-C 3.43Å; W1051-N1997 WeakPolarHBondContact CH2-O 3.25Å; W1051-N1997 HydrophobicContact CZ2-CB 4.19Å; W1051-N1997 WeakPolarHBondContact CZ2-O 3.4Å; W1051-N1997 PolarHBondContact NE1-OD1 3.23Å; W1051-N1997 VanDerWaalsContact NE1-OD1 3.11Å; W1051-N2077 WeakPolarHBondContact CH2-OD1 3.49Å; W1051-N2077 HydrophobicContact CZ3-CB 4.3Å; W1051-N2077 WeakPolarHBondContact CZ3-ND2 3.42Å; W1051-N2077 WeakPolarHBondContact CZ3-OD1 3.16Å
1052	F	87.1	Confident	78.2	Confident	54 Å²	54	65.2 Å²	65.2	24%	0.237	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	127.7	-176.3	-57.1	-88.7	0	0	0	119.3	N1054 G1055 I1056 P1057 T1114 I1116 R2076	F1052-N1054 PolarHBondContact O-N 2.87Å; F1052-G1055 WeakPolarHBondContact CD1-O 3.23Å; F1052-I1056 CarbonylContact C-O 3.37Å; F1052-I1056 WeakPolarHBondContact CA-O 3.44Å; F1052-P1057 HydrophobicContact CD1-CB 3.88Å; F1052-P1057 HydrophobicContact CD1-CG 4.5Å; F1052-P1057 HydrophobicContact CE1-CB 4.06Å; F1052-T1114 HydrophobicContact CB-CG2 4.12Å; F1052-T1114 HydrophobicContact CD2-CG2 4.04Å; F1052-T1114 PolarHBondContact N-O 2.95Å; F1052-T1114 VanDerWaalsContact O-CB 3.26Å; F1052-T1114 WeakPolarHBondContact O-CB 3.11Å; F1052-T1114 PolarHBondContact O-N 3.29Å; F1052-I1116 HydrophobicContact CE2-CD1 4.34Å; F1052-R2076 VanDerWaalsContact C-CG 3.43Å; F1052-R2076 WeakPolarHBondContact O-CA 3.2Å; F1052-R2076 WeakPolarHBondContact O-CB 3.47Å; F1052-R2076 WeakPolarHBondContact O-CG 3.42Å
1053	R	87.5	Confident	76.4	Confident	47 Å²	47	67.2 Å²	67.2	18%	0.177	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	77	172.1	-144.2	164.3	-173.6	-147.8	-3.9	112.7	I1056 L1058 S1108 I2074 R2076	R1053-I1056 HydrophobicContact CB-CB 4.46Å; R1053-I1056 PolarHBondContact N-O 3.02Å; R1053-I1056 VanDerWaalsContact O-CB 3.28Å; R1053-I1056 WeakPolarHBondContact O-CB 3.44Å; R1053-I1056 WeakPolarHBondContact O-CG1 3.12Å; R1053-I1056 PolarHBondContact O-N 2.71Å; R1053-L1058 HydrophobicContact CB-CD2 4.32Å; R1053-L1058 HydrophobicContact CB-CG 4.48Å; R1053-S1108 PolarHBondContact NH2-O 3.35Å; R1053-I2074 HydrophobicContact CB-CG1 4.38Å; R1053-I2074 HydrophobicContact CG-CB 4.08Å; R1053-I2074 HydrophobicContact CG-CD1 4.01Å; R1053-I2074 HydrophobicContact CG-CG1 3.79Å; R1053-I2074 HydrophobicContact CG-CG2 3.62Å; R1053-I2074 WeakPolarHBondContact O-CA 3.41Å; R1053-R2076 HydrophobicContact CB-CG 3.9Å; R1053-R2076 HydrophobicContact CG-CG 3.92Å
1054	N	83.1	Confident	74	Confident	90 Å²	90	71 Å²	71	48%	0.481	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	81.3	-161.6	-173.7	2.4	0	0	0	110.5	F1052 I1056 G2073 I2074 P2075	F1052-N1054 PolarHBondContact O-N 2.87Å; N1054-I1056 PolarHBondContact O-N 2.89Å; N1054-G2073 WeakPolarHBondContact CB-O 3.47Å; N1054-G2073 PolarHBondContact ND2-O 3.41Å; N1054-I2074 VanDerWaalsContact CB-C 3.4Å; N1054-I2074 VanDerWaalsContact CB-N 3.35Å; N1054-P2075 VanDerWaalsContact CA-O 3.29Å; N1054-P2075 WeakPolarHBondContact CA-O 3.28Å; N1054-P2075 WeakPolarHBondContact CB-O 3.38Å; N1054-P2075 VanDerWaalsContact N-CA 3.26Å; N1054-P2075 PolarHBondContact N-O 3.15Å
1055	G	78	Confident	71.5	Confident	52 Å²	52	75.7 Å²	75.7	54%	0.536	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	-14.8	-173.3	0	0	0	0	0	115.3	F1052 P1057	F1052-G1055 WeakPolarHBondContact CD1-O 3.23Å; G1055-P1057 WeakPolarHBondContact O-CD 3.09Å
1056	I	81.5	Confident	69.2	Low	95 Å²	95	79.7 Å²	79.7	49%	0.487	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	101.3	178.3	-53.7	178.1	0	0	0	109.5	F1052 R1053 N1054 L1058	F1052-I1056 CarbonylContact C-O 3.37Å; F1052-I1056 WeakPolarHBondContact CA-O 3.44Å; R1053-I1056 HydrophobicContact CB-CB 4.46Å; R1053-I1056 PolarHBondContact N-O 3.02Å; R1053-I1056 VanDerWaalsContact O-CB 3.28Å; R1053-I1056 WeakPolarHBondContact O-CB 3.44Å; R1053-I1056 WeakPolarHBondContact O-CG1 3.12Å; R1053-I1056 PolarHBondContact O-N 2.71Å; N1054-I1056 PolarHBondContact O-N 2.89Å; I1056-L1058 PolarHBondContact O-N 2.83Å
1057	P	81.1	Confident	66.8	Low	82 Å²	82	81.4 Å²	81.4	53%	0.532	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	132.1	-177.7	25.6	-34.9	0	0	0	111.4	W1051 F1052 G1055	W1051-P1057 WeakPolarHBondContact O-CA 3.39Å; F1052-P1057 HydrophobicContact CD1-CB 3.88Å; F1052-P1057 HydrophobicContact CD1-CG 4.5Å; F1052-P1057 HydrophobicContact CE1-CB 4.06Å; G1055-P1057 WeakPolarHBondContact O-CD 3.09Å
1058	L	81.4	Confident	64.2	Low	37 Å²	37	85.4 Å²	85.4	19%	0.194	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-89.3	133.4	163.1	-63.8	-161.4	0	0	0	108	W1051 R1053 I1056 L1093 V1095 R2076	W1051-L1058 PolarHBondContact O-N 3.22Å; R1053-L1058 HydrophobicContact CB-CD2 4.32Å; R1053-L1058 HydrophobicContact CB-CG 4.48Å; I1056-L1058 PolarHBondContact O-N 2.83Å; L1058-L1093 HydrophobicContact CD1-CD2 4Å; L1058-V1095 HydrophobicContact CD1-CG2 4.42Å; L1058-R2076 VanDerWaalsContact CD1-NH2 3.32Å
1059	P	75.7	Confident	61.4	Low	106 Å²	106	85.1 Å²	85.1	69%	0.688	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-63.3	150	178.1	28.2	-35	0	0	0	110.5	S1061	P1059-S1061 PolarHBondContact O-N 2.9Å
1060	L	71.8	Confident	58.7	Low	78 Å²	78	88.2 Å²	88.2	41%	0.408	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-69.3	118	165	-46.8	179.5	0	0	0	106.9	I1062 V1095 K1096	L1060-I1062 PolarHBondContact O-N 2.92Å; L1060-V1095 CarbonylContact C-O 3.35Å; L1060-V1095 WeakPolarHBondContact CA-O 3.39Å; L1060-K1096 HydrophobicContact CB-CG 4.38Å
1061	S	59.8	Low	55.9	Low	31 Å²	31	95.3 Å²	95.3	22%	0.217	52%	0.517	C	S	.	.			trans	-58.3	102.2	173.5	-42.3	0	0	0	0	108.5	P1059 N1063 V1095 K1096	P1059-S1061 PolarHBondContact O-N 2.9Å; S1061-N1063 PolarHBondContact O-N 2.83Å; S1061-V1095 PolarHBondContact N-O 2.62Å; S1061-V1095 PolarHBondContact OG-N 2.91Å; S1061-V1095 PolarHBondContact OG-O 3.36Å; S1061-K1096 WeakPolarHBondContact O-CD 3.18Å; S1061-K1096 WeakPolarHBondContact O-CE 3.44Å; S1061-K1096 WeakPolarHBondContact O-CG 3.47Å
1062	I	50.6	Low	53	Low	138 Å²	138	103.8 Å²	103.8	71%	0.708	55%	0.554	S	S	*	*			trans	-61	126.2	175.9	-58.5	169.2	0	0	0	107.1	L1060 P1064	L1060-I1062 PolarHBondContact O-N 2.92Å; I1062-P1064 WeakPolarHBondContact O-CD 3.31Å; I1062-P1064 VanDerWaalsContact O-N 3.12Å
1063	N	37.2	Very low	50.1	Low	53 Å²	53	107.2 Å²	107.2	28%	0.283	58%	0.575	S	S	.	*			trans	-61.3	113.4	176	-77.4	-36.4	0	0	0	109	S1061 I1065 K1096 S1994 S1995	S1061-N1063 PolarHBondContact O-N 2.83Å; N1063-I1065 PolarHBondContact O-N 3.02Å; N1063-K1096 VanDerWaalsContact OD1-CE 3.28Å; N1063-K1096 WeakPolarHBondContact OD1-CE 3.18Å; N1063-K1096 PolarHBondContact OD1-NZ 2.81Å; N1063-S1994 PolarHBondContact ND2-O 2.84Å; N1063-S1995 PolarHBondContact ND2-OG 2.85Å
1064	P	28	Very low	47.2	Very low	109 Å²	109	112.6 Å²	112.6	71%	0.708	60%	0.602	S	S	*	*	S	Bend	trans	-62.6	138.9	157.9	30.6	-32.8	0	0	0	107.2	I1062	I1062-P1064 WeakPolarHBondContact O-CD 3.31Å; I1062-P1064 VanDerWaalsContact O-N 3.12Å
1065	I	27.1	Very low	44.6	Very low	153 Å²	153	117 Å²	117	79%	0.785	62%	0.62	S	S	*	*	S	Bend	trans	69.5	70	178	-39.8	162.7	0	0	0	114.2	N1063	N1063-I1065 PolarHBondContact O-N 3.02Å
1066	K	27.2	Very low	42.3	Very low	179 Å²	179	122.8 Å²	122.8	78%	0.778	63%	0.633	S	S	*	*				-156.4	8.7	127.4	-115.7	172.2	-173.3	178.3	0	118.1	F1068	K1066-F1068 PolarHBondContact O-N 3.05Å
1067	T	25.8	Very low	39.6	Very low	98 Å²	98	125.6 Å²	125.6	60%	0.601	65%	0.646	S	S	*	*			trans	-76.3	61	160.1	33.6	0	0	0	0	111.9	P1992	T1067-P1992 WeakPolarHBondContact CG2-O 3.37Å
1068	F	25.7	Very low	36.9	Very low	174 Å²	174	129 Å²	129	76%	0.763	66%	0.66	S	S	*	*			trans	-84.5	137.5	159.8	-122	-91.7	0	0	0	108.3	K1066	K1066-F1068 PolarHBondContact O-N 3.05Å
1069	N	24.3	Very low	34.4	Very low	131 Å²	131	136.3 Å²	136.3	70%	0.701	69%	0.693	S	S	*	*	S	Bend	trans	77.5	59	-179.8	-50.7	-20	0	0	0	117.3
1070	S	28.5	Very low	32.1	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	70%	0.698	S	S	*	*			trans	-170.5	51.3	145.5	-173.9	0	0	0	0	111
1071	F	24.7	Very low	29.9	Very low	179 Å²	179	138.9 Å²	138.9	79%	0.785	72%	0.719	S	S	*	*				34.3	93	103	-82.4	-74.9	0	0	0	114.7
1072	K	27.4	Very low	28.3	Very low	184 Å²	184	146.7 Å²	146.7	80%	0.8	75%	0.75	S	S	*	*				179.6	142.8	105.2	-101.9	-177.9	177.9	-173.4	0	114
1073	N	26.9	Very low	27.1	Very low	125 Å²	125	145.4 Å²	145.4	67%	0.668	75%	0.753	S	S	*	*			trans	65.3	156	158	-62.3	44.2	0	0	0	118.3
1074	E	26.3	Very low	26.6	Very low	160 Å²	160	153.6 Å²	153.6	75%	0.748	78%	0.781	S	S	*	*				-168.8	168.4	-50.7	-115.1	159.3	166	0	0	110.1
1075	E	27.6	Very low	26.5	Very low	182 Å²	182	151.7 Å²	151.7	85%	0.85	77%	0.771	S	S	*	*			trans	74.7	160.5	164.8	-68.6	172.4	168.4	0	0	120.5
1076	E	29.9	Very low	26.6	Very low	174 Å²	174	152.4 Å²	152.4	81%	0.813	78%	0.775	S	S	*	*			trans	52.9	79.7	-175.7	-54.7	-155.5	143.4	0	0	117.5
1077	M	25.3	Very low	26.8	Very low	155 Å²	155	150.2 Å²	150.2	76%	0.764	77%	0.767	S	S	*	*				66.2	103.6	75.7	-62.7	-160.4	-74	0	0	114.7
1078	N	25	Very low	27.2	Very low	153 Å²	153	152.2 Å²	152.2	82%	0.818	77%	0.774	S	S	*	*				76.6	95.9	86.8	-74.3	-27.6	0	0	0	115.2
1079	E	27	Very low	27.8	Very low	191 Å²	191	151.7 Å²	151.7	89%	0.893	78%	0.779	S	S	*	*				-166.7	161.8	126.1	-115.5	-177.5	-173.6	0	0	113.3
1080	S	27.6	Very low	28.7	Very low	115 Å²	115	151.6 Å²	151.6	80%	0.804	78%	0.778	S	S	*	*			trans	67.7	39.9	168.9	75.5	0	0	0	0	119.5	K1082	S1080-K1082 PolarHBondContact O-N 2.91Å; S1080-K1082 VanDerWaalsContact O-N 3.13Å
1081	S	25.7	Very low	29.9	Very low	122 Å²	122	152.5 Å²	152.5	85%	0.853	77%	0.77	S	S	*	*			trans	-56.5	115.5	163.2	57.7	0	0	0	0	112.4
1082	K	27.4	Very low	32.2	Very low	195 Å²	195	147 Å²	147	85%	0.848	74%	0.744	S	S	*	*			trans	-126.5	105.7	168.1	-88.4	-175.3	175.4	174.4	0	111.8	S1080	S1080-K1082 PolarHBondContact O-N 2.91Å; S1080-K1082 VanDerWaalsContact O-N 3.13Å
1083	S	25.7	Very low	34.7	Very low	112 Å²	112	141 Å²	141	78%	0.783	72%	0.72	S	S	*	*			trans	34.5	101.1	152.9	58.3	0	0	0	0	118	S1085	S1083-S1085 PolarHBondContact O-N 3.48Å
1084	Y	25.4	Very low	37.2	Very low	224 Å²	224	137.4 Å²	137.4	88%	0.878	70%	0.701	S	S	*	*			trans	-55	128.6	159.9	-71.7	-100.6	0	0	0	111.5
1085	S	26.8	Very low	39.8	Very low	69 Å²	69	130 Å²	130	48%	0.483	67%	0.666	S	S	.	*			trans	-100.6	156.1	149.2	55.3	0	0	0	0	109	S1083 E1087	S1083-S1085 PolarHBondContact O-N 3.48Å; S1085-E1087 PolarHBondContact O-N 2.94Å; S1085-E1087 PolarHBondContact OG-OE2 3.15Å
1086	I	29	Very low	42.4	Very low	169 Å²	169	122.5 Å²	122.5	87%	0.867	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	67.4	-174.9	-50.5	178.7	0	0	0	109.9
1087	E	31.6	Very low	44.9	Very low	132 Å²	132	116.3 Å²	116.3	62%	0.617	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	-23.5	-179.6	-68.2	175.1	120.3	0	0	112.8	S1085 L1089 N1090	S1085-E1087 PolarHBondContact O-N 2.94Å; S1085-E1087 PolarHBondContact OG-OE2 3.15Å; E1087-L1089 PolarHBondContact O-N 2.85Å; E1087-L1089 VanDerWaalsContact O-N 3.15Å; E1087-N1090 PolarHBondContact O-N 2.83Å; E1087-N1090 PolarHBondContact O-ND2 2.67Å
1088	D	34.3	Very low	47.6	Very low	141 Å²	141	109.7 Å²	109.7	75%	0.754	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	1.1	178.4	-85.4	-37.7	0	0	0	115.4	N1090	D1088-N1090 PolarHBondContact O-N 3.39Å
1089	L	37.7	Very low	50.3	Low	163 Å²	163	106.6 Å²	106.6	85%	0.853	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-12	170.5	-144.7	77.9	0	0	0	112.4	E1087 Q1091	E1087-L1089 PolarHBondContact O-N 2.85Å; E1087-L1089 VanDerWaalsContact O-N 3.15Å; L1089-Q1091 VanDerWaalsContact C-N 3.27Å; L1089-Q1091 PolarHBondContact O-N 2.68Å
1090	N	42.3	Very low	53.1	Low	128 Å²	128	97.5 Å²	97.5	68%	0.684	51%	0.511	S	S	*	.			trans	-82.7	53.4	-174.9	-67.8	-58.1	0	0	0	113.6	E1087 D1088 R1092	E1087-N1090 PolarHBondContact O-N 2.83Å; E1087-N1090 PolarHBondContact O-ND2 2.67Å; D1088-N1090 PolarHBondContact O-N 3.39Å; N1090-R1092 PolarHBondContact O-N 3.44Å
1091	Q	54.7	Low	55.9	Low	129 Å²	129	95.4 Å²	95.4	60%	0.603	49%	0.487	S	S	*	.			trans	-69.2	84.3	163.5	-78.7	-158.1	1.9	0	0	110.2	L1089 L1093 I1094	L1089-Q1091 VanDerWaalsContact C-N 3.27Å; L1089-Q1091 PolarHBondContact O-N 2.68Å; Q1091-L1093 PolarHBondContact O-N 3.11Å; Q1091-I1094 HydrophobicContact CB-CG1 4.5Å
1092	R	73.8	Confident	58.7	Low	64 Å²	64	89.7 Å²	89.7	24%	0.242	45%	0.447	C	S	.	.			trans	-60.5	-5.6	-175.9	-152.5	-170.9	63.6	81.4	2.4	115	N1090 I1102 H1103 P1104 D1109	N1090-R1092 PolarHBondContact O-N 3.44Å; R1092-I1102 VanDerWaalsContact O-CA 3.26Å; R1092-I1102 WeakPolarHBondContact O-CA 3.36Å; R1092-I1102 VanDerWaalsContact O-CG2 3.28Å; R1092-I1102 WeakPolarHBondContact O-CG2 3.29Å; R1092-H1103 WeakPolarHBondContact CG-O 3.35Å; R1092-H1103 PolarHBondContact O-N 3.06Å; R1092-P1104 WeakPolarHBondContact CD-O 3.46Å; R1092-P1104 PolarHBondContact NH1-O 3.25Å; R1092-D1109 IonicContact CZ-OD1 2.79Å; R1092-D1109 IonicContact CZ-OD2 2.75Å; R1092-D1109 IonicContact NH1-OD1 3.7Å; R1092-D1109 PolarHBondContact NH1-OD1 3.34Å; R1092-D1109 IonicContact NH1-OD2 3.6Å; R1092-D1109 PolarHBondContact NH1-OD2 2.75Å; R1092-D1109 IonicContact NH2-OD1 2.8Å; R1092-D1109 PolarHBondContact NH2-OD1 2.89Å; R1092-D1109 IonicContact NH2-OD2 3.19Å; R1092-D1109 PolarHBondContact NH2-OD2 2.95Å
1093	L	79.6	Confident	61.2	Low	58 Å²	58	84.7 Å²	84.7	30%	0.304	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	126.1	-176.5	169.4	64.5	0	0	0	110.2	L1058 Q1091 V1095 I1100 F1101 I1102	L1058-L1093 HydrophobicContact CD1-CD2 4Å; Q1091-L1093 PolarHBondContact O-N 3.11Å; L1093-V1095 HydrophobicContact CD1-CG2 3.7Å; L1093-V1095 HydrophobicContact CG-CG2 4.05Å; L1093-I1100 HydrophobicContact CD1-CD1 4.14Å; L1093-I1100 HydrophobicContact CD1-CG1 4.45Å; L1093-F1101 CarbonylContact C-O 3.57Å; L1093-F1101 VanDerWaalsContact CA-O 3.3Å; L1093-F1101 WeakPolarHBondContact CA-O 3.34Å; L1093-I1102 HydrophobicContact CD1-CD1 3.92Å; L1093-I1102 HydrophobicContact CD1-CG1 3.67Å
1094	I	79	Confident	63.8	Low	50 Å²	50	81.6 Å²	81.6	26%	0.256	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.7	-179.1	-51.9	173.3	0	0	0	110	Q1091 K1096 I1100 F1101	Q1091-I1094 HydrophobicContact CB-CG1 4.5Å; I1094-K1096 HydrophobicContact CG2-CD 3.78Å; I1094-I1100 WeakPolarHBondContact O-CA 3.48Å; I1094-I1100 VanDerWaalsContact O-CG1 3.28Å; I1094-I1100 WeakPolarHBondContact O-CG1 3.44Å; I1094-F1101 HydrophobicContact CB-CB 4.26Å; I1094-F1101 HydrophobicContact CD1-CD1 4.1Å; I1094-F1101 HydrophobicContact CG1-CD1 4.47Å; I1094-F1101 PolarHBondContact N-O 3.34Å; I1094-F1101 PolarHBondContact O-N 3.29Å
1095	V	81.4	Confident	66.5	Low	3 Å²	3	71 Å²	71	2%	0.018	36%	0.363	C	S	.	.			trans	-141.3	134.7	-164.5	-174.4	0	0	0	0	112.1	W1051 L1058 L1060 S1061 L1093 I1100	W1051-V1095 HydrophobicContact CB-CG1 4.28Å; W1051-V1095 HydrophobicContact CD2-CG1 3.46Å; W1051-V1095 VanDerWaalsContact CD2-CG1 3.46Å; W1051-V1095 HydrophobicContact CE3-CG1 4.07Å; W1051-V1095 HydrophobicContact CG-CG1 3.61Å; W1051-V1095 HydrophobicContact CH2-CG1 4.45Å; W1051-V1095 HydrophobicContact CZ2-CG1 3.72Å; L1058-V1095 HydrophobicContact CD1-CG2 4.42Å; L1060-V1095 CarbonylContact C-O 3.35Å; L1060-V1095 WeakPolarHBondContact CA-O 3.39Å; S1061-V1095 PolarHBondContact N-O 2.62Å; S1061-V1095 PolarHBondContact OG-N 2.91Å; S1061-V1095 PolarHBondContact OG-O 3.36Å; L1093-V1095 HydrophobicContact CD1-CG2 3.7Å; L1093-V1095 HydrophobicContact CG-CG2 4.05Å; V1095-I1100 HydrophobicContact CG2-CD1 3.93Å; V1095-I1100 HydrophobicContact CG2-CG1 4.15Å
1096	K	81.1	Confident	69.1	Low	25 Å²	25	72.6 Å²	72.6	11%	0.109	36%	0.361	C	S	.	.	S	Bend	trans	-173.4	-150.7	-173.1	-71.7	107.5	140.9	-116.5	0	110.9	W1051 L1060 S1061 N1063 I1094 S1995 Q1996 N1997	W1051-K1096 PolarHBondContact NE1-O 3.44Å; L1060-K1096 HydrophobicContact CB-CG 4.38Å; S1061-K1096 WeakPolarHBondContact O-CD 3.18Å; S1061-K1096 WeakPolarHBondContact O-CE 3.44Å; S1061-K1096 WeakPolarHBondContact O-CG 3.47Å; N1063-K1096 VanDerWaalsContact OD1-CE 3.28Å; N1063-K1096 WeakPolarHBondContact OD1-CE 3.18Å; N1063-K1096 PolarHBondContact OD1-NZ 2.81Å; I1094-K1096 HydrophobicContact CG2-CD 3.78Å; K1096-S1995 WeakPolarHBondContact CB-O 3.42Å; K1096-S1995 WeakPolarHBondContact CD-O 3.23Å; K1096-S1995 WeakPolarHBondContact CE-O 3.23Å; K1096-S1995 WeakPolarHBondContact CG-O 3.5Å; K1096-S1995 PolarHBondContact NZ-O 3.14Å; K1096-Q1996 VanDerWaalsContact C-CA 3.43Å; K1096-Q1996 CarbonylContact C-O 3.58Å; K1096-Q1996 WeakPolarHBondContact CA-O 3.06Å; K1096-Q1996 VanDerWaalsContact CB-O 3.29Å; K1096-Q1996 WeakPolarHBondContact CB-O 2.94Å; K1096-Q1996 PolarHBondContact N-O 3.42Å; K1096-Q1996 CarbonylContact O-C 3.43Å; K1096-N1997 WeakPolarHBondContact O-CA 2.99Å; K1096-N1997 PolarHBondContact O-N 2.82Å; K1096-N1997 PolarHBondContact O-OD1 3.03Å
1097	P	82.4	Confident	71.8	Confident	44 Å²	44	67.7 Å²	67.7	29%	0.286	33%	0.331	S	S	.	.	S	Bend	trans	-77.6	-27	179.8	-28.8	40.9	0	0	0	133.6	N1997	P1097-N1997 WeakPolarHBondContact CA-OD1 3.25Å; P1097-N1997 WeakPolarHBondContact O-CB 3.19Å; P1097-N1997 PolarHBondContact O-ND2 3.34Å; P1097-N1997 PolarHBondContact O-OD1 3.03Å
1098	T	81.8	Confident	74.2	Confident	17 Å²	17	65.9 Å²	65.9	10%	0.104	33%	0.333	C	S	.	.	S	Bend	trans	-112.1	-55.1	158.3	87.9	0	0	0	0	121.7	D1037 L1038 E1039 Q1996 N1997 N1998	D1037-T1098 WeakPolarHBondContact CA-O 3Å; D1037-T1098 WeakPolarHBondContact OD1-CB 3.46Å; D1037-T1098 PolarHBondContact OD1-OG1 3.21Å; L1038-T1098 PolarHBondContact N-O 3.16Å; L1038-T1098 VanDerWaalsContact O-O 3.12Å; E1039-T1098 HydrophobicContact CB-CG2 4.24Å; E1039-T1098 HydrophobicContact CG-CG2 3.92Å; E1039-T1098 WeakPolarHBondContact OE2-CG2 3.11Å; T1098-Q1996 HydrophobicContact CG2-CG 4.13Å; T1098-Q1996 WeakPolarHBondContact OG1-CB 3.36Å; T1098-Q1996 VanDerWaalsContact OG1-CG 3.25Å; T1098-Q1996 WeakPolarHBondContact OG1-CG 3.25Å; T1098-Q1996 PolarHBondContact OG1-NE2 3.12Å; T1098-N1997 CarbonylContact O-C 3.53Å; T1098-N1997 WeakPolarHBondContact O-CA 3Å; T1098-N1997 VanDerWaalsContact O-CB 3.24Å; T1098-N1997 WeakPolarHBondContact O-CB 3.3Å; T1098-N1997 PolarHBondContact O-N 2.84Å; T1098-N1997 VanDerWaalsContact O-N 3.16Å; T1098-N1998 PolarHBondContact O-N 2.88Å
1099	K	82.4	Confident	76.7	Confident	87 Å²	87	59.3 Å²	59.3	38%	0.378	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.6	161.1	35.9	171.4	159.6	-81.4	0	124.8	L1036 D1037 Q1996 N1997	L1036-K1099 WeakPolarHBondContact O-CA 3.4Å; D1037-K1099 VanDerWaalsContact CA-CB 3.47Å; D1037-K1099 HydrophobicContact CB-CB 3.47Å; D1037-K1099 VanDerWaalsContact CB-CB 3.47Å; D1037-K1099 HydrophobicContact CB-CD 4.05Å; D1037-K1099 HydrophobicContact CB-CG 3.7Å; D1037-K1099 PolarHBondContact OD1-N 2.56Å; D1037-K1099 VanDerWaalsContact OD1-N 3.11Å; D1037-K1099 IonicContact OD2-NZ 3.55Å; D1037-K1099 PolarHBondContact OD2-NZ 3.14Å; K1099-Q1996 CarbonylContact C-O 3.59Å; K1099-Q1996 VanDerWaalsContact C-O 3.23Å; K1099-Q1996 HydrophobicContact CG-CB 4.09Å; K1099-Q1996 VanDerWaalsContact N-C 3.26Å; K1099-Q1996 CarbonylContact O-C 3.55Å; K1099-N1997 CarbonylContact C-O 3.29Å; K1099-N1997 WeakPolarHBondContact CA-O 3.34Å
1100	I	85.9	Confident	79	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.3	-179.4	-179.8	170.6	0	0	0	109.2	D1035 L1036 W1051 L1093 I1094 V1095 Y1113 N1997	D1035-I1100 VanDerWaalsContact CA-O 3.28Å; D1035-I1100 WeakPolarHBondContact CA-O 3.44Å; L1036-I1100 HydrophobicContact CB-CG2 3.69Å; L1036-I1100 PolarHBondContact N-O 2.91Å; L1036-I1100 VanDerWaalsContact N-O 3.08Å; L1036-I1100 PolarHBondContact O-N 2.71Å; W1051-I1100 HydrophobicContact CE3-CD1 4.5Å; W1051-I1100 HydrophobicContact CH2-CB 3.47Å; W1051-I1100 VanDerWaalsContact CH2-CB 3.47Å; W1051-I1100 HydrophobicContact CH2-CD1 3.33Å; W1051-I1100 HydrophobicContact CH2-CG1 3.88Å; W1051-I1100 HydrophobicContact CH2-CG2 3.63Å; W1051-I1100 HydrophobicContact CZ2-CB 3.7Å; W1051-I1100 HydrophobicContact CZ2-CD1 4.02Å; W1051-I1100 HydrophobicContact CZ2-CG1 4.25Å; W1051-I1100 HydrophobicContact CZ2-CG2 4.28Å; W1051-I1100 HydrophobicContact CZ3-CD1 3.6Å; L1093-I1100 HydrophobicContact CD1-CD1 4.14Å; L1093-I1100 HydrophobicContact CD1-CG1 4.45Å; I1094-I1100 WeakPolarHBondContact O-CA 3.48Å; I1094-I1100 VanDerWaalsContact O-CG1 3.28Å; I1094-I1100 WeakPolarHBondContact O-CG1 3.44Å; V1095-I1100 HydrophobicContact CG2-CD1 3.93Å; V1095-I1100 HydrophobicContact CG2-CG1 4.15Å; I1100-Y1113 HydrophobicContact CD1-CD1 3.6Å; I1100-Y1113 HydrophobicContact CD1-CE1 3.79Å; I1100-N1997 VanDerWaalsContact CA-O 3.3Å; I1100-N1997 WeakPolarHBondContact CA-O 3.16Å; I1100-N1997 WeakPolarHBondContact CB-O 2.97Å; I1100-N1997 VanDerWaalsContact CG2-O 3.29Å; I1100-N1997 WeakPolarHBondContact CG2-O 2.97Å; I1100-N1997 PolarHBondContact N-O 3.26Å
1101	F	85	Confident	81.1	Confident	71 Å²	71	49.1 Å²	49.1	31%	0.311	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.1	-179.2	-176.1	-104	0	0	0	112.7	L1034 D1035 L1093 I1094 H1103	L1034-F1101 CarbonylContact O-C 3.46Å; L1034-F1101 VanDerWaalsContact O-CA 3.31Å; L1034-F1101 WeakPolarHBondContact O-CA 3.17Å; D1035-F1101 HydrophobicContact CB-CD2 4.17Å; L1093-F1101 CarbonylContact C-O 3.57Å; L1093-F1101 VanDerWaalsContact CA-O 3.3Å; L1093-F1101 WeakPolarHBondContact CA-O 3.34Å; I1094-F1101 HydrophobicContact CB-CB 4.26Å; I1094-F1101 HydrophobicContact CD1-CD1 4.1Å; I1094-F1101 HydrophobicContact CG1-CD1 4.47Å; I1094-F1101 PolarHBondContact N-O 3.34Å; I1094-F1101 PolarHBondContact O-N 3.29Å; F1101-H1103 HydrophobicContact CE1-CB 3.63Å; F1101-H1103 HydrophobicContact CE2-CB 4.26Å; F1101-H1103 HydrophobicContact CZ-CB 3.44Å; F1101-H1103 VanDerWaalsContact CZ-CB 3.44Å
1102	I	85.4	Confident	82.6	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	124.8	165.8	-53	-177.6	0	0	0	110	S1033 L1034 R1092 L1093 V1105 Y1113	S1033-I1102 CarbonylContact C-O 3.31Å; S1033-I1102 WeakPolarHBondContact CA-O 3.41Å; L1034-I1102 HydrophobicContact CB-CB 3.92Å; L1034-I1102 HydrophobicContact CB-CG1 4.34Å; L1034-I1102 HydrophobicContact CD2-CB 4.48Å; L1034-I1102 HydrophobicContact CD2-CD1 3.79Å; L1034-I1102 HydrophobicContact CD2-CG1 4.06Å; L1034-I1102 PolarHBondContact N-O 2.59Å; L1034-I1102 PolarHBondContact O-N 3.01Å; R1092-I1102 VanDerWaalsContact O-CA 3.26Å; R1092-I1102 WeakPolarHBondContact O-CA 3.36Å; R1092-I1102 VanDerWaalsContact O-CG2 3.28Å; R1092-I1102 WeakPolarHBondContact O-CG2 3.29Å; L1093-I1102 HydrophobicContact CD1-CD1 3.92Å; L1093-I1102 HydrophobicContact CD1-CG1 3.67Å; I1102-V1105 HydrophobicContact CB-CG2 4.14Å; I1102-V1105 HydrophobicContact CG2-CG2 3.81Å; I1102-Y1113 HydrophobicContact CD1-CE1 3.68Å; I1102-Y1113 WeakPolarHBondContact CD1-OH 3.4Å
1103	H	80.8	Confident	83.3	Confident	90 Å²	90	40.4 Å²	40.4	42%	0.417	21%	0.206	S	C	.	.	S	Bend	trans	-156.3	129.3	174.4	174.7	70.1	0	0	0	112.3	S1033 R1092 F1101	S1033-H1103 PolarHBondContact OG-ND1 2.01Å; R1092-H1103 WeakPolarHBondContact CG-O 3.35Å; R1092-H1103 PolarHBondContact O-N 3.06Å; F1101-H1103 HydrophobicContact CE1-CB 3.63Å; F1101-H1103 HydrophobicContact CE2-CB 4.26Å; F1101-H1103 HydrophobicContact CZ-CB 3.44Å; F1101-H1103 VanDerWaalsContact CZ-CB 3.44Å
1104	P	79.8	Confident	83.8	Confident	48 Å²	48	38.6 Å²	38.6	31%	0.312	20%	0.197	S	C	.	.	S	Bend	cis	-75.7	152.3	-15.3	31.1	-35.8	0	0	0	112.2	G1031 G1032 R1092	G1031-P1104 WeakPolarHBondContact O-CB 3.29Å; G1032-P1104 CarbonylContact O-C 3.41Å; G1032-P1104 WeakPolarHBondContact O-CA 3.14Å; R1092-P1104 WeakPolarHBondContact CD-O 3.46Å; R1092-P1104 PolarHBondContact NH1-O 3.25Å
1105	V	80.8	Confident	84.2	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.184	C	C	.	.			trans	-78.2	139.1	174.2	176.4	0	0	0	0	110.7	V1028 G1031 G1032 L1034 I1102 D1109 L1130 V1132	V1028-V1105 HydrophobicContact CB-CG1 4.29Å; V1028-V1105 HydrophobicContact CG1-CB 4.09Å; V1028-V1105 HydrophobicContact CG1-CG1 4.3Å; V1028-V1105 HydrophobicContact CG1-CG2 4.08Å; G1031-V1105 PolarHBondContact N-O 2.83Å; G1032-V1105 PolarHBondContact O-N 3.44Å; L1034-V1105 HydrophobicContact CB-CG2 4.25Å; I1102-V1105 HydrophobicContact CB-CG2 4.14Å; I1102-V1105 HydrophobicContact CG2-CG2 3.81Å; V1105-D1109 HydrophobicContact CG1-CB 4.23Å; V1105-L1130 HydrophobicContact CG1-CD2 4.35Å; V1105-V1132 HydrophobicContact CG1-CG1 4.29Å; V1105-V1132 HydrophobicContact CG1-CG2 3.69Å
1106	K	82.6	Confident	84.6	Confident	103 Å²	103	38.5 Å²	38.5	45%	0.448	20%	0.196	S	C	.	.			trans	-125.5	160.2	-177.5	-60.1	-174.5	176.4	-171.6	0	110.8	S1108 D1109	K1106-S1108 PolarHBondContact O-N 3.03Å; K1106-D1109 PolarHBondContact N-OD2 3.45Å; K1106-D1109 WeakPolarHBondContact O-CB 3.2Å; K1106-D1109 PolarHBondContact O-N 3.41Å
1107	R	84.6	Confident	84.8	Confident	66 Å²	66	37.3 Å²	37.3	25%	0.249	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-50.2	-33.2	174.2	-71.4	176	-149.7	-165.6	5.3	113.6	E1030 D1109 M1110 Y1134 E1160	E1030-R1107 WeakPolarHBondContact OE1-CG 3.38Å; E1030-R1107 IonicContact OE1-NE 3.86Å; E1030-R1107 PolarHBondContact OE1-NE 2.74Å; E1030-R1107 IonicContact OE2-CZ 2.76Å; E1030-R1107 VanDerWaalsContact OE2-CZ 3.26Å; E1030-R1107 IonicContact OE2-NE 2.6Å; E1030-R1107 PolarHBondContact OE2-NE 3.03Å; E1030-R1107 IonicContact OE2-NH2 2.66Å; E1030-R1107 PolarHBondContact OE2-NH2 2.9Å; R1107-D1109 PolarHBondContact O-N 3.22Å; R1107-M1110 WeakPolarHBondContact O-CB 3.43Å; R1107-M1110 PolarHBondContact O-N 3.33Å; R1107-Y1134 HydrophobicContact CG-CD1 3.8Å; R1107-Y1134 HydrophobicContact CG-CE1 4.01Å; R1107-Y1134 VanDerWaalsContact CZ-CD2 3.41Å; R1107-E1160 IonicContact NH1-OE1 3.21Å; R1107-E1160 PolarHBondContact NH1-OE1 2.61Å
1108	S	83	Confident	85	Confident	93 Å²	93	37 Å²	37	65%	0.65	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-74.9	1.6	176.9	52.3	0	0	0	0	115.8	R1053 K1106	R1053-S1108 PolarHBondContact NH2-O 3.35Å; K1106-S1108 PolarHBondContact O-N 3.03Å
1109	D	86.8	Confident	85.1	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-91.3	-12.3	167.4	-60	-49.4	0	0	0	113.3	R1092 V1105 K1106 R1107 A1111 L1130	R1092-D1109 IonicContact CZ-OD1 2.79Å; R1092-D1109 IonicContact CZ-OD2 2.75Å; R1092-D1109 IonicContact NH1-OD1 3.7Å; R1092-D1109 PolarHBondContact NH1-OD1 3.34Å; R1092-D1109 IonicContact NH1-OD2 3.6Å; R1092-D1109 PolarHBondContact NH1-OD2 2.75Å; R1092-D1109 IonicContact NH2-OD1 2.8Å; R1092-D1109 PolarHBondContact NH2-OD1 2.89Å; R1092-D1109 IonicContact NH2-OD2 3.19Å; R1092-D1109 PolarHBondContact NH2-OD2 2.95Å; V1105-D1109 HydrophobicContact CG1-CB 4.23Å; K1106-D1109 PolarHBondContact N-OD2 3.45Å; K1106-D1109 WeakPolarHBondContact O-CB 3.2Å; K1106-D1109 PolarHBondContact O-N 3.41Å; R1107-D1109 PolarHBondContact O-N 3.22Å; D1109-A1111 WeakPolarHBondContact O-CB 3.45Å; D1109-A1111 PolarHBondContact O-N 2.82Å; D1109-L1130 HydrophobicContact CB-CD2 3.92Å
1110	M	86.4	Confident	85.1	Confident	74 Å²	74	38.2 Å²	38.2	37%	0.365	20%	0.203	S	C	.	.			trans	-61.4	96.4	-172.2	-175.5	169.3	167.7	0	0	112.2	R1107 F1129 L1130 N1131 V1132	R1107-M1110 WeakPolarHBondContact O-CB 3.43Å; R1107-M1110 PolarHBondContact O-N 3.33Å; M1110-F1129 HydrophobicContact CE-CE1 3.74Å; M1110-F1129 HydrophobicContact CE-CZ 3.96Å; M1110-F1129 HydrophobicContact CG-CE1 3.53Å; M1110-F1129 HydrophobicContact CG-CZ 3.65Å; M1110-F1129 HydrophobicContact SD-CE1 4.48Å; M1110-L1130 CarbonylContact C-O 3.35Å; M1110-L1130 VanDerWaalsContact CA-O 3.25Å; M1110-L1130 WeakPolarHBondContact CA-O 3.43Å; M1110-N1131 WeakPolarHBondContact CE-OD1 3.17Å; M1110-V1132 HydrophobicContact CB-CB 4.19Å; M1110-V1132 HydrophobicContact CB-CG2 3.92Å
1111	A	85.3	Confident	84.9	Confident	2 Å²	2	42.7 Å²	42.7	2%	0.017	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-179.8	147	-163	0	0	0	0	0	110.6	D1109 Y1113 L1130 I2074 P2075	D1109-A1111 WeakPolarHBondContact O-CB 3.45Å; D1109-A1111 PolarHBondContact O-N 2.82Å; A1111-Y1113 VanDerWaalsContact O-CD2 3.26Å; A1111-Y1113 WeakPolarHBondContact O-CD2 3.24Å; A1111-Y1113 WeakPolarHBondContact O-CE2 3.38Å; A1111-L1130 PolarHBondContact N-O 2.84Å; A1111-L1130 WeakPolarHBondContact O-CA 3.02Å; A1111-L1130 WeakPolarHBondContact O-CB 3.24Å; A1111-L1130 PolarHBondContact O-N 2.95Å; A1111-I2074 HydrophobicContact CB-CG2 3.74Å; A1111-P2075 HydrophobicContact CB-CB 3.73Å; A1111-P2075 HydrophobicContact CB-CG 3.53Å
1112	N	87.4	Confident	84.7	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.043	23%	0.225	C	C	.	.			trans	-55.2	-174.4	169.5	-16.7	-11.1	0	0	0	114.3	T1127 F1128 F1129 P2075 R2076	N1112-T1127 WeakPolarHBondContact ND2-CG2 2.97Å; N1112-F1128 HydrophobicContact CB-CD2 3.91Å; N1112-F1128 HydrophobicContact CB-CE2 4.41Å; N1112-F1128 WeakPolarHBondContact CB-O 3.23Å; N1112-F1128 PolarHBondContact ND2-O 3.07Å; N1112-F1128 PolarHBondContact OD1-O 2.98Å; N1112-F1129 VanDerWaalsContact OD1-CD2 3.26Å; N1112-F1129 WeakPolarHBondContact OD1-CD2 3.49Å; N1112-P2075 HydrophobicContact CB-CB 3.61Å; N1112-P2075 HydrophobicContact CB-CG 4.06Å; N1112-P2075 VanDerWaalsContact CG-CG 3.49Å; N1112-P2075 VanDerWaalsContact N-CG 3.29Å; N1112-P2075 WeakPolarHBondContact OD1-CG 3.33Å; N1112-R2076 VanDerWaalsContact C-CA 3.49Å; N1112-R2076 HydrophobicContact CB-CB 4.1Å; N1112-R2076 WeakPolarHBondContact CB-O 3.44Å; N1112-R2076 PolarHBondContact ND2-N 3.27Å; N1112-R2076 PolarHBondContact ND2-O 3.48Å; N1112-R2076 WeakPolarHBondContact O-CB 3.14Å; N1112-R2076 WeakPolarHBondContact O-CD 3.05Å; N1112-R2076 WeakPolarHBondContact O-CG 3.35Å
1113	Y	88.5	Confident	84.6	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.012	25%	0.251	C	S	.	.			trans	-119.8	0	-178.6	-79.9	-103.2	0	0	0	131.8	W1051 I1100 I1102 A1111 F1128 L1130 R2076 N2077	W1051-Y1113 HydrophobicContact CZ3-CD1 4.21Å; W1051-Y1113 WeakPolarHBondContact CZ3-O 3.02Å; I1100-Y1113 HydrophobicContact CD1-CD1 3.6Å; I1100-Y1113 HydrophobicContact CD1-CE1 3.79Å; I1102-Y1113 HydrophobicContact CD1-CE1 3.68Å; I1102-Y1113 WeakPolarHBondContact CD1-OH 3.4Å; A1111-Y1113 VanDerWaalsContact O-CD2 3.26Å; A1111-Y1113 WeakPolarHBondContact O-CD2 3.24Å; A1111-Y1113 WeakPolarHBondContact O-CE2 3.38Å; Y1113-F1128 AromaticContact CD2-CE2 3.97Å; Y1113-F1128 HydrophobicContact CD2-CE2 3.97Å; Y1113-F1128 HydrophobicContact CD2-CZ 4.39Å; Y1113-F1128 HydrophobicContact CG-CE2 4.25Å; Y1113-F1128 VanDerWaalsContact N-CE2 3.3Å; Y1113-L1130 HydrophobicContact CD2-CB 3.93Å; Y1113-L1130 HydrophobicContact CD2-CD2 4.48Å; Y1113-L1130 HydrophobicContact CE2-CB 3.62Å; Y1113-L1130 HydrophobicContact CE2-CD2 3.54Å; Y1113-L1130 HydrophobicContact CE2-CG 4.17Å; Y1113-R2076 VanDerWaalsContact CA-CD 3.42Å; Y1113-R2076 VanDerWaalsContact CE1-NH1 3.28Å; Y1113-R2076 PolarHBondContact N-O 2.73Å; Y1113-R2076 VanDerWaalsContact O-CD 3.31Å; Y1113-R2076 WeakPolarHBondContact O-CD 3.4Å; Y1113-R2076 WeakPolarHBondContact O-CG 3.28Å; Y1113-R2076 PolarHBondContact O-NH1 2.85Å; Y1113-R2076 VanDerWaalsContact O-NH1 3.17Å; Y1113-N2077 VanDerWaalsContact O-CB 3.26Å; Y1113-N2077 WeakPolarHBondContact O-CB 3.18Å; Y1113-N2077 PolarHBondContact O-ND2 3.49Å
1114	T	88.4	Confident	84.6	Confident	19 Å²	19	42.8 Å²	42.8	12%	0.117	24%	0.243	C	C	.	.				0	137.7	0	-82.6	0	0	0	0	113.1	W1051 F1052 R2076 N2077	W1051-T1114 CarbonylContact C-O 2.95Å; W1051-T1114 VanDerWaalsContact C-O 3.3Å; W1051-T1114 WeakPolarHBondContact CA-O 3.38Å; F1052-T1114 HydrophobicContact CB-CG2 4.12Å; F1052-T1114 HydrophobicContact CD2-CG2 4.04Å; F1052-T1114 PolarHBondContact N-O 2.95Å; F1052-T1114 VanDerWaalsContact O-CB 3.26Å; F1052-T1114 WeakPolarHBondContact O-CB 3.11Å; F1052-T1114 PolarHBondContact O-N 3.29Å; T1114-R2076 WeakPolarHBondContact OG1-CA 3.34Å; T1114-R2076 PolarHBondContact OG1-N 3.01Å; T1114-R2076 VanDerWaalsContact OG1-N 3.17Å; T1114-R2076 PolarHBondContact OG1-O 3.43Å; T1114-N2077 WeakPolarHBondContact CA-ND2 3.28Å; T1114-N2077 PolarHBondContact N-ND2 3.15Å; T1114-N2077 VanDerWaalsContact N-ND2 3.15Å; T1114-N2077 PolarHBondContact O-ND2 3.45Å
1115	L	88.8	Confident	85	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	145.5	174.7	177.3	141.2	0	0	0	116.1	S1050 W1051 N1997 N2077 V2078	S1050-L1115 WeakPolarHBondContact O-CA 3.15Å; S1050-L1115 WeakPolarHBondContact O-CB 3.19Å; S1050-L1115 WeakPolarHBondContact O-CG 3.38Å; W1051-L1115 HydrophobicContact CD2-CD1 4.21Å; W1051-L1115 HydrophobicContact CG-CD1 3.92Å; L1115-N1997 HydrophobicContact CD1-CB 4.35Å; L1115-N1997 WeakPolarHBondContact CD1-ND2 3.24Å; L1115-N1997 WeakPolarHBondContact CD1-OD1 3.39Å; L1115-N1997 WeakPolarHBondContact CD2-ND2 3.31Å; L1115-N2077 WeakPolarHBondContact CB-ND2 2.98Å; L1115-N2077 PolarHBondContact N-ND2 2.91Å; L1115-N2077 VanDerWaalsContact N-ND2 3.15Å; L1115-V2078 WeakPolarHBondContact O-CB 3.34Å; L1115-V2078 WeakPolarHBondContact O-CG1 3.01Å; L1115-V2078 WeakPolarHBondContact O-CG2 3.26Å
1116	I	89.6	Confident	85.1	Confident	51 Å²	51	47 Å²	47	26%	0.262	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.5	-179.1	-46.4	178.3	0	0	0	109.7	T1049 S1050 F1052 E1125	T1049-I1116 WeakPolarHBondContact CA-O 3.27Å; S1050-I1116 PolarHBondContact N-O 3.16Å; S1050-I1116 PolarHBondContact O-N 3.29Å; F1052-I1116 HydrophobicContact CE2-CD1 4.34Å; I1116-E1125 HydrophobicContact CG1-CB 4.04Å; I1116-E1125 HydrophobicContact CG2-CB 4.46Å
1117	A	84.3	Confident	85.2	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	159.5	169.9	0	0	0	0	0	111.8	P998 F1000 P1040 K1048 S1123 K1124	P998-A1117 HydrophobicContact CB-CB 4.44Å; F1000-A1117 HydrophobicContact CE1-CB 4.07Å; F1000-A1117 HydrophobicContact CZ-CB 3.65Å; P1040-A1117 HydrophobicContact CG-CB 3.69Å; K1048-A1117 WeakPolarHBondContact O-CA 2.91Å; A1117-S1123 CarbonylContact O-C 3.23Å; A1117-S1123 WeakPolarHBondContact O-CA 3.4Å; A1117-S1123 VanDerWaalsContact O-CB 3.3Å; A1117-S1123 WeakPolarHBondContact O-CB 3.43Å; A1117-K1124 PolarHBondContact N-O 3.33Å; A1117-K1124 PolarHBondContact O-N 2.94Å
1118	T	86.6	Confident	85.1	Confident	38 Å²	38	40.9 Å²	40.9	23%	0.233	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	145.2	-172.3	-47.7	0	0	0	0	113.2	L1046 S1047 K1048	L1046-T1118 CarbonylContact C-O 3.59Å; L1046-T1118 VanDerWaalsContact CA-O 3.25Å; L1046-T1118 WeakPolarHBondContact CA-O 2.97Å; S1047-T1118 PolarHBondContact N-O 3.46Å; S1047-T1118 PolarHBondContact OG-O 2.84Å; K1048-T1118 PolarHBondContact O-N 2.9Å
1119	N	83.9	Confident	85.1	Confident	9 Å²	9	38.6 Å²	38.6	5%	0.048	22%	0.215	C	C	.	.			trans	-137.1	-168.3	163	79.3	-3.8	0	0	0	110.4	F996 P998 P1044 S1045 L1121 G1122	F996-N1119 PolarHBondContact O-ND2 2.88Å; P998-N1119 WeakPolarHBondContact CD-OD1 3.45Å; P998-N1119 HydrophobicContact CG-CB 3.91Å; P1044-N1119 WeakPolarHBondContact O-CB 3.16Å; P1044-N1119 PolarHBondContact O-ND2 3.45Å; S1045-N1119 VanDerWaalsContact O-CB 3.29Å; S1045-N1119 WeakPolarHBondContact O-CB 3.28Å; N1119-L1121 VanDerWaalsContact C-N 3.31Å; N1119-L1121 PolarHBondContact O-N 3.24Å; N1119-L1121 WeakPolarHBondContact OD1-CA 3.36Å; N1119-L1121 PolarHBondContact OD1-N 2.84Å; N1119-G1122 PolarHBondContact N-O 3.04Å; N1119-G1122 PolarHBondContact OD1-N 3.24Å; N1119-G1122 PolarHBondContact OD1-O 2.79Å
1120	T	84.2	Confident	85	Confident	120 Å²	120	38.4 Å²	38.4	74%	0.736	21%	0.214	S	C	*	.	S	Bend	trans	-79.4	-3.7	179.8	67.7	0	0	0	0	115.4	P1044	P1044-T1120 WeakPolarHBondContact CG-OG1 3.33Å
1121	L	80.9	Confident	84.9	Confident	95 Å²	95	36.1 Å²	36.1	50%	0.497	20%	0.203	S	C	.	.	S	Bend	trans	-104.9	-13.4	174.3	-66.9	177	0	0	0	112.7	P997 N1043 N1119	P997-L1121 HydrophobicContact CB-CB 4.16Å; N1043-L1121 VanDerWaalsContact O-CD1 3.24Å; N1043-L1121 WeakPolarHBondContact O-CD1 3.3Å; N1119-L1121 VanDerWaalsContact C-N 3.31Å; N1119-L1121 PolarHBondContact O-N 3.24Å; N1119-L1121 WeakPolarHBondContact OD1-CA 3.36Å; N1119-L1121 PolarHBondContact OD1-N 2.84Å
1122	G	80.2	Confident	84.8	Confident	28 Å²	28	36 Å²	36	29%	0.289	20%	0.203	S	C	.	.			trans	163.3	-177.9	173.2	0	0	0	0	0	114.5	P998 N1119	P998-G1122 VanDerWaalsContact CD-O 3.24Å; P998-G1122 WeakPolarHBondContact CD-O 3.05Å; P998-G1122 WeakPolarHBondContact CG-O 3.42Å; N1119-G1122 PolarHBondContact N-O 3.04Å; N1119-G1122 PolarHBondContact OD1-N 3.24Å; N1119-G1122 PolarHBondContact OD1-O 2.79Å
1123	S	83.7	Confident	84.6	Confident	80 Å²	80	36 Å²	36	56%	0.559	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	155.2	169.1	51.7	0	0	0	0	111.5	A1117	A1117-S1123 CarbonylContact O-C 3.23Å; A1117-S1123 WeakPolarHBondContact O-CA 3.4Å; A1117-S1123 VanDerWaalsContact O-CB 3.3Å; A1117-S1123 WeakPolarHBondContact O-CB 3.43Å
1124	K	80.9	Confident	84.3	Confident	57 Å²	57	37.3 Å²	37.3	25%	0.248	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128	-179.7	-160.3	69.2	-164.2	159.5	0	113.2	P998 F1000 A1117 F1126	P998-K1124 HydrophobicContact CB-CB 4.29Å; P998-K1124 VanDerWaalsContact O-CB 3.22Å; P998-K1124 WeakPolarHBondContact O-CB 3.47Å; P998-K1124 WeakPolarHBondContact O-CG 3.31Å; F1000-K1124 HydrophobicContact CE2-CB 4.09Å; F1000-K1124 HydrophobicContact CE2-CG 4.05Å; A1117-K1124 PolarHBondContact N-O 3.33Å; A1117-K1124 PolarHBondContact O-N 2.94Å; K1124-F1126 HydrophobicContact CD-CE1 4.28Å; K1124-F1126 HydrophobicContact CG-CE1 4.48Å; K1124-F1126 VanDerWaalsContact NZ-CE1 3.31Å
1125	E	87.4	Confident	83.8	Confident	98 Å²	98	37.2 Å²	37.2	46%	0.458	21%	0.211	S	C	.	.			trans	-141.6	175.7	175.5	77.3	130.4	-120.5	0	0	111.4	I1116 V2078	I1116-E1125 HydrophobicContact CG1-CB 4.04Å; I1116-E1125 HydrophobicContact CG2-CB 4.46Å; E1125-V2078 HydrophobicContact CB-CG1 4.39Å; E1125-V2078 HydrophobicContact CB-CG2 4Å
1126	F	83.4	Confident	83.6	Confident	39 Å²	39	37.7 Å²	37.7	17%	0.171	21%	0.214	C	C	.	.			trans	-178.1	-160.7	-178	-78.1	118.4	0	0	0	112.1	K1124 D2000 C2001 V2078 S2079	K1124-F1126 HydrophobicContact CD-CE1 4.28Å; K1124-F1126 HydrophobicContact CG-CE1 4.48Å; K1124-F1126 VanDerWaalsContact NZ-CE1 3.31Å; F1126-D2000 HydrophobicContact CB-CB 4.22Å; F1126-C2001 HydrophobicContact CB-CB 3.8Å; F1126-C2001 HydrophobicContact CD1-CB 4.34Å; F1126-C2001 HydrophobicContact CD2-CB 4.15Å; F1126-C2001 WeakPolarHBondContact CD2-SG 3.14Å; F1126-C2001 WeakPolarHBondContact CE2-SG 3.33Å; F1126-C2001 HydrophobicContact CG-CB 3.9Å; F1126-V2078 HydrophobicContact CB-CB 4.5Å; F1126-V2078 HydrophobicContact CB-CG1 4.31Å; F1126-V2078 HydrophobicContact CB-CG2 4.4Å; F1126-V2078 HydrophobicContact CD1-CG1 4.29Å; F1126-S2079 WeakPolarHBondContact CD1-O 3.14Å; F1126-S2079 WeakPolarHBondContact CE1-O 3.28Å; F1126-S2079 VanDerWaalsContact CG-O 3.23Å; F1126-S2079 WeakPolarHBondContact CG-O 3.35Å
1127	T	85.2	Confident	83.3	Confident	41 Å²	41	39.7 Å²	39.7	25%	0.252	22%	0.222	S	C	.	.			trans	-153.2	142.7	176.9	-50.3	0	0	0	0	116.4	L1023 N1112 D2000 C2001	L1023-T1127 HydrophobicContact CD1-CG2 3.85Å; L1023-T1127 HydrophobicContact CD2-CG2 3.65Å; L1023-T1127 WeakPolarHBondContact CD2-O 3.43Å; L1023-T1127 HydrophobicContact CG-CG2 4.3Å; N1112-T1127 WeakPolarHBondContact ND2-CG2 2.97Å; T1127-D2000 VanDerWaalsContact C-CB 3.48Å; T1127-D2000 WeakPolarHBondContact CA-OD1 3.47Å; T1127-D2000 WeakPolarHBondContact CA-OD2 3.28Å; T1127-D2000 PolarHBondContact N-OD2 2.85Å; T1127-C2001 VanDerWaalsContact O-CA 3.3Å; T1127-C2001 WeakPolarHBondContact O-CA 2.97Å; T1127-C2001 PolarHBondContact O-N 3.26Å
1128	F	81.6	Confident	83.3	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.			trans	-144.7	-160.9	-172.1	99.9	149.7	0	0	0	116	L1007 L1023 P1024 N1112 Y1113 D2000	L1007-F1128 HydrophobicContact CD2-CD1 3.54Å; L1007-F1128 HydrophobicContact CD2-CE1 3.51Å; L1023-F1128 VanDerWaalsContact CA-CA 3.5Å; L1023-F1128 WeakPolarHBondContact CB-O 2.66Å; P1024-F1128 VanDerWaalsContact CD-CB 3.49Å; P1024-F1128 HydrophobicContact CG-CB 3.61Å; P1024-F1128 HydrophobicContact CG-CD1 4.36Å; P1024-F1128 VanDerWaalsContact O-CB 3.3Å; P1024-F1128 WeakPolarHBondContact O-CB 3.22Å; P1024-F1128 VanDerWaalsContact O-CD1 3.24Å; P1024-F1128 WeakPolarHBondContact O-CD1 3.49Å; P1024-F1128 WeakPolarHBondContact O-CG 2.78Å; N1112-F1128 HydrophobicContact CB-CD2 3.91Å; N1112-F1128 HydrophobicContact CB-CE2 4.41Å; N1112-F1128 WeakPolarHBondContact CB-O 3.23Å; N1112-F1128 PolarHBondContact ND2-O 3.07Å; N1112-F1128 PolarHBondContact OD1-O 2.98Å; Y1113-F1128 AromaticContact CD2-CE2 3.97Å; Y1113-F1128 HydrophobicContact CD2-CE2 3.97Å; Y1113-F1128 HydrophobicContact CD2-CZ 4.39Å; Y1113-F1128 HydrophobicContact CG-CE2 4.25Å; Y1113-F1128 VanDerWaalsContact N-CE2 3.3Å; F1128-D2000 WeakPolarHBondContact CA-OD1 3.26Å; F1128-D2000 HydrophobicContact CB-CB 3.54Å; F1128-D2000 WeakPolarHBondContact CB-OD1 2.81Å; F1128-D2000 WeakPolarHBondContact CD2-OD1 3.04Å; F1128-D2000 HydrophobicContact CG-CB 4.09Å; F1128-D2000 WeakPolarHBondContact CG-OD1 3.06Å; F1128-D2000 PolarHBondContact N-OD1 2.04Å
1129	F	83.8	Confident	83.1	Confident	45 Å²	45	43.2 Å²	43.2	20%	0.197	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	130.1	175.7	-164.5	-94	0	0	0	114.6	L1023 P1024 H1025 Y1026 M1110 N1112 N1131	L1023-F1129 HydrophobicContact CB-CB 4.42Å; P1024-F1129 PolarHBondContact O-N 3.2Å; H1025-F1129 CarbonylContact C-O 3.54Å; H1025-F1129 VanDerWaalsContact CA-O 3.23Å; H1025-F1129 WeakPolarHBondContact CA-O 3.46Å; H1025-F1129 AromaticContact ND1-CD1 3.48Å; H1025-F1129 WeakPolarHBondContact ND1-CD1 3.1Å; H1025-F1129 AromaticContact ND1-CG 3.85Å; Y1026-F1129 PolarHBondContact N-O 3.5Å; M1110-F1129 HydrophobicContact CE-CE1 3.74Å; M1110-F1129 HydrophobicContact CE-CZ 3.96Å; M1110-F1129 HydrophobicContact CG-CE1 3.53Å; M1110-F1129 HydrophobicContact CG-CZ 3.65Å; M1110-F1129 HydrophobicContact SD-CE1 4.48Å; N1112-F1129 VanDerWaalsContact OD1-CD2 3.26Å; N1112-F1129 WeakPolarHBondContact OD1-CD2 3.49Å; F1129-N1131 HydrophobicContact CD1-CB 3.95Å; F1129-N1131 HydrophobicContact CE1-CB 4.2Å; F1129-N1131 PolarHBondContact O-N 2.85Å
1130	L	85.5	Confident	83	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	110.7	163.5	-175.1	67.9	0	0	0	108.9	Y1026 V1028 L1034 V1105 D1109 M1110 A1111 Y1113 V1132	Y1026-L1130 HydrophobicContact CD1-CD1 3.71Å; Y1026-L1130 HydrophobicContact CG-CD1 4.34Å; V1028-L1130 HydrophobicContact CG2-CD1 3.67Å; L1034-L1130 HydrophobicContact CD1-CD1 3.97Å; L1034-L1130 HydrophobicContact CD2-CD1 4.19Å; L1034-L1130 HydrophobicContact CD2-CD2 4.26Å; V1105-L1130 HydrophobicContact CG1-CD2 4.35Å; D1109-L1130 HydrophobicContact CB-CD2 3.92Å; M1110-L1130 CarbonylContact C-O 3.35Å; M1110-L1130 VanDerWaalsContact CA-O 3.25Å; M1110-L1130 WeakPolarHBondContact CA-O 3.43Å; A1111-L1130 PolarHBondContact N-O 2.84Å; A1111-L1130 WeakPolarHBondContact O-CA 3.02Å; A1111-L1130 WeakPolarHBondContact O-CB 3.24Å; A1111-L1130 PolarHBondContact O-N 2.95Å; Y1113-L1130 HydrophobicContact CD2-CB 3.93Å; Y1113-L1130 HydrophobicContact CD2-CD2 4.48Å; Y1113-L1130 HydrophobicContact CE2-CB 3.62Å; Y1113-L1130 HydrophobicContact CE2-CD2 3.54Å; Y1113-L1130 HydrophobicContact CE2-CG 4.17Å; L1130-V1132 HydrophobicContact CG-CG2 4.41Å
1131	N	83.5	Confident	82.8	Confident	25 Å²	25	43.1 Å²	43.1	13%	0.134	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	116.8	179.6	-169.9	7.3	0	0	0	110.4	H1025 Y1026 I1027 V1028 M1110 F1129 N1162	H1025-N1131 HydrophobicContact CB-CB 4.06Å; Y1026-N1131 PolarHBondContact O-N 2.83Å; I1027-N1131 WeakPolarHBondContact CA-O 3.19Å; I1027-N1131 HydrophobicContact CG1-CB 4.24Å; V1028-N1131 PolarHBondContact N-O 2.77Å; M1110-N1131 WeakPolarHBondContact CE-OD1 3.17Å; F1129-N1131 HydrophobicContact CD1-CB 3.95Å; F1129-N1131 HydrophobicContact CE1-CB 4.2Å; F1129-N1131 PolarHBondContact O-N 2.85Å; N1131-N1162 PolarHBondContact OD1-ND2 2.9Å
1132	V	83.6	Confident	82.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	105.5	-177.8	-175.1	0	0	0	0	110.2	V1028 E1030 V1105 M1110 L1130 N1162	V1028-V1132 CarbonylContact O-C 3.57Å; V1028-V1132 VanDerWaalsContact O-CA 3.26Å; V1028-V1132 WeakPolarHBondContact O-CA 3.44Å; E1030-V1132 HydrophobicContact CB-CG1 4.16Å; V1105-V1132 HydrophobicContact CG1-CG1 4.29Å; V1105-V1132 HydrophobicContact CG1-CG2 3.69Å; M1110-V1132 HydrophobicContact CB-CB 4.19Å; M1110-V1132 HydrophobicContact CB-CG2 3.92Å; L1130-V1132 HydrophobicContact CG-CG2 4.41Å; V1132-N1162 PolarHBondContact O-ND2 2.89Å
1133	T	82.4	Confident	82.7	Confident	7 Å²	7	45 Å²	45	4%	0.043	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	143.6	-176.5	50.5	0	0	0	0	112.3	I1027 V1028 E1030 N1162 I1263	I1027-T1133 HydrophobicContact CG2-CG2 3.77Å; V1028-T1133 PolarHBondContact O-N 3.38Å; V1028-T1133 PolarHBondContact O-OG1 2.78Å; E1030-T1133 PolarHBondContact N-O 2.95Å; T1133-N1162 CarbonylContact C-O 3.4Å; T1133-N1162 WeakPolarHBondContact CA-O 3.38Å; T1133-N1162 WeakPolarHBondContact CB-O 3.41Å; T1133-N1162 WeakPolarHBondContact CG2-O 3.31Å; T1133-I1263 HydrophobicContact CG2-CD1 4.26Å
1134	Y	82.5	Confident	82.7	Confident	31 Å²	31	43.6 Å²	43.6	12%	0.122	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	153.1	-176.4	58.5	-94.9	0	0	0	111.8	R1107 E1160 A1161 N1162 N1261	R1107-Y1134 HydrophobicContact CG-CD1 3.8Å; R1107-Y1134 HydrophobicContact CG-CE1 4.01Å; R1107-Y1134 VanDerWaalsContact CZ-CD2 3.41Å; Y1134-E1160 HydrophobicContact CE2-CG 4.25Å; Y1134-E1160 PolarHBondContact OH-OE1 3.23Å; Y1134-A1161 VanDerWaalsContact CE2-CA 3.47Å; Y1134-N1162 HydrophobicContact CD1-CB 3.7Å; Y1134-N1162 HydrophobicContact CE1-CB 3.35Å; Y1134-N1162 HydrophobicContact CE2-CB 4.36Å; Y1134-N1162 HydrophobicContact CG-CB 4.33Å; Y1134-N1162 PolarHBondContact N-O 2.69Å; Y1134-N1162 PolarHBondContact O-N 3.28Å; Y1134-N1162 VanDerWaalsContact O-N 3.12Å; Y1134-N1261 PolarHBondContact O-ND2 2.8Å
1135	G	79	Confident	82.7	Confident	17 Å²	17	47 Å²	47	18%	0.175	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	166.2	-176.2	0	0	0	0	0	114.6	Q1137 I1263	G1135-Q1137 PolarHBondContact O-N 2.98Å; G1135-I1263 WeakPolarHBondContact CA-O 3.24Å
1136	P	83.3	Confident	82.4	Confident	10 Å²	10	44.6 Å²	44.6	7%	0.065	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127	-170.2	30.4	-35.2	0	0	0	112.3	E1160 A1161 P1165 M1259 N1261 I1263 A1267	P1136-E1160 CarbonylContact C-O 3.58Å; P1136-E1160 WeakPolarHBondContact CA-O 3.38Å; P1136-A1161 HydrophobicContact CB-CB 3.96Å; P1136-P1165 HydrophobicContact CB-CG 4.41Å; P1136-M1259 WeakPolarHBondContact CG-O 3.28Å; P1136-N1261 WeakPolarHBondContact CD-OD1 3.38Å; P1136-I1263 WeakPolarHBondContact CD-O 3.2Å; P1136-A1267 HydrophobicContact CB-CB 3.84Å; P1136-A1267 HydrophobicContact CG-CB 4.12Å
1137	Q	83.4	Confident	82.3	Confident	94 Å²	94	48.1 Å²	48.1	44%	0.439	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127	177.6	-65.7	-179	-28.2	0	0	109.3	G1135 S1159 E1160	G1135-Q1137 PolarHBondContact O-N 2.98Å; Q1137-S1159 CarbonylContact O-C 2.98Å; Q1137-S1159 WeakPolarHBondContact O-CA 3.3Å; Q1137-S1159 VanDerWaalsContact O-CB 3.22Å; Q1137-S1159 WeakPolarHBondContact O-CB 3.49Å; Q1137-E1160 PolarHBondContact N-O 3.41Å; Q1137-E1160 PolarHBondContact O-N 3.38Å
1138	L	84.2	Confident	82.1	Confident	47 Å²	47	47 Å²	47	25%	0.246	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.9	-174.4	-173.5	74.3	0	0	0	111.4	P1142 Q1158 A1267 R1269	L1138-P1142 HydrophobicContact CD2-CB 4.22Å; L1138-Q1158 WeakPolarHBondContact CD1-O 3.25Å; L1138-A1267 HydrophobicContact CB-CB 4.34Å; L1138-R1269 HydrophobicContact CD1-CB 3.88Å; L1138-R1269 HydrophobicContact CD1-CG 4.49Å; L1138-R1269 HydrophobicContact CD2-CB 3.96Å; L1138-R1269 HydrophobicContact CD2-CG 4.11Å
1139	L	82.1	Confident	81.4	Confident	65 Å²	65	53 Å²	53	34%	0.34	33%	0.326	S	S	.	.			trans	-94.8	109.9	176	-64.7	176.2	0	0	0	110.8	Q1158 E1160 V1237 R1269	L1139-Q1158 HydrophobicContact CB-CB 4.29Å; L1139-Q1158 HydrophobicContact CB-CG 4.28Å; L1139-Q1158 HydrophobicContact CD1-CG 4.03Å; L1139-Q1158 PolarHBondContact N-O 3.46Å; L1139-E1160 HydrophobicContact CD1-CB 4.37Å; L1139-V1237 HydrophobicContact CD1-CG1 4.07Å; L1139-R1269 PolarHBondContact O-NH1 3.31Å
1140	G	82	Confident	81	Confident	55 Å²	55	52.5 Å²	52.5	57%	0.567	33%	0.333	S	S	*	.	S	Bend	trans	93.1	-179.5	-177.6	0	0	0	0	0	114.6
1141	S	81	Confident	80.7	Confident	72 Å²	72	58.2 Å²	58.2	50%	0.503	36%	0.358	S	S	.	.			trans	-58.5	137	-169.2	-47.8	0	0	0	0	114.4	S1143 R1269	S1141-S1143 WeakPolarHBondContact CB-O 3.3Å; S1141-S1143 PolarHBondContact O-N 2.89Å; S1141-R1269 VanDerWaalsContact O-CZ 3.24Å; S1141-R1269 PolarHBondContact O-NE 3.43Å; S1141-R1269 PolarHBondContact O-NH2 3.48Å
1142	P	75.9	Confident	80.8	Confident	86 Å²	86	60 Å²	60	56%	0.558	37%	0.365	S	S	*	.	S	Bend	trans	-71.8	-14.6	-179	30.1	-36.3	0	0	0	114.2	L1138 T1270	L1138-P1142 HydrophobicContact CD2-CB 4.22Å; P1142-T1270 PolarHBondContact O-N 3.34Å; P1142-T1270 PolarHBondContact O-OG1 2.95Å
1143	S	81.4	Confident	80.9	Confident	75 Å²	75	60.1 Å²	60.1	52%	0.524	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.3	172.6	50.9	0	0	0	0	110.7	S1141 T1270	S1141-S1143 WeakPolarHBondContact CB-O 3.3Å; S1141-S1143 PolarHBondContact O-N 2.89Å; S1143-T1270 CarbonylContact C-O 3.27Å; S1143-T1270 WeakPolarHBondContact CA-O 3.3Å
1144	V	83.8	Confident	81.2	Confident	51 Å²	51	64.9 Å²	64.9	31%	0.309	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	142	-179.8	-174.5	0	0	0	0	109.4	T1270 I1271 D1272	V1144-T1270 PolarHBondContact N-O 2.98Å; V1144-T1270 VanDerWaalsContact N-O 3.11Å; V1144-I1271 HydrophobicContact CB-CG1 4.28Å; V1144-I1271 HydrophobicContact CB-CG2 4.45Å; V1144-I1271 CarbonylContact O-C 3.44Å; V1144-I1271 VanDerWaalsContact O-CA 3.25Å; V1144-I1271 WeakPolarHBondContact O-CA 3.15Å; V1144-D1272 PolarHBondContact O-N 2.86Å
1145	N	81.5	Confident	81.6	Confident	130 Å²	130	63.5 Å²	63.5	70%	0.695	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.5	172.7	-61.2	4.5	0	0	0	109.4	D1272	N1145-D1272 CarbonylContact C-O 3.52Å; N1145-D1272 WeakPolarHBondContact CA-O 2.9Å
1146	L	82.1	Confident	82.1	Confident	47 Å²	47	66.9 Å²	66.9	25%	0.246	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	105.9	-173.6	177.5	61.5	0	0	0	111.1	V1148 E1154 L1155 I1271 D1272 L1273 T1274	L1146-V1148 HydrophobicContact CD1-CG2 4.25Å; L1146-V1148 HydrophobicContact CD2-CG2 4.43Å; L1146-V1148 HydrophobicContact CG-CG2 3.95Å; L1146-E1154 WeakPolarHBondContact CD2-O 3.23Å; L1146-L1155 HydrophobicContact CD2-CD1 4.41Å; L1146-L1155 HydrophobicContact CD2-CG 4.12Å; L1146-I1271 HydrophobicContact CB-CG2 4.33Å; L1146-D1272 PolarHBondContact N-O 2.89Å; L1146-L1273 HydrophobicContact CD2-CD1 4.09Å; L1146-L1273 HydrophobicContact CG-CD1 4.15Å; L1146-L1273 WeakPolarHBondContact O-CA 3.03Å; L1146-T1274 PolarHBondContact O-N 2.81Å
1147	T	81	Confident	82.4	Confident	112 Å²	112	66.4 Å²	66.4	69%	0.687	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.4	173.8	-47.4	0	0	0	0	110.5	T1274	T1147-T1274 VanDerWaalsContact CA-OG1 3.31Å; T1147-T1274 WeakPolarHBondContact CA-OG1 3.15Å; T1147-T1274 PolarHBondContact OG1-OG1 3Å
1148	V	79.5	Confident	82.7	Confident	18 Å²	18	64.1 Å²	64.1	11%	0.109	38%	0.378	C	S	.	.			trans	-125.7	131.1	-175.6	-177.3	0	0	0	0	111.6	L1146 G1150 K1152 A1153 L1247 L1273 T1274	L1146-V1148 HydrophobicContact CD1-CG2 4.25Å; L1146-V1148 HydrophobicContact CD2-CG2 4.43Å; L1146-V1148 HydrophobicContact CG-CG2 3.95Å; V1148-G1150 WeakPolarHBondContact CG1-O 3.03Å; V1148-K1152 VanDerWaalsContact CG1-O 3.26Å; V1148-K1152 WeakPolarHBondContact CG1-O 3.28Å; V1148-A1153 HydrophobicContact CG1-CB 4.49Å; V1148-A1153 HydrophobicContact CG2-CB 3.93Å; V1148-L1247 HydrophobicContact CB-CD2 3.84Å; V1148-L1247 HydrophobicContact CG1-CD2 3.76Å; V1148-L1273 HydrophobicContact CG2-CD1 3.86Å; V1148-T1274 PolarHBondContact N-O 3.3Å
1149	S	68.5	Low	82.8	Confident	126 Å²	126	61.9 Å²	61.9	88%	0.881	37%	0.367	S	S	*	.			trans	-101.3	-9.2	179.5	55.3	0	0	0	0	114.5
1150	G	74.1	Confident	83.1	Confident	34 Å²	34	61.7 Å²	61.7	35%	0.351	36%	0.364	S	S	.	.	S	Bend	trans	-113.5	172.5	-179.8	0	0	0	0	0	113.7	V1148 K1152	V1148-G1150 WeakPolarHBondContact CG1-O 3.03Å; G1150-K1152 PolarHBondContact O-N 2.86Å
1151	K	79.1	Confident	83.2	Confident	120 Å²	120	59.1 Å²	59.1	52%	0.522	34%	0.337	S	S	.	.	S	Bend	trans	-74	20.3	177.5	-72	-167.1	166	-159.9	0	115	D1246 L1247	K1151-D1246 IonicContact NZ-OD1 3.84Å; K1151-D1246 WeakPolarHBondContact O-CA 3.11Å; K1151-D1246 PolarHBondContact O-N 2.78Å; K1151-L1247 PolarHBondContact O-N 2.78Å
1152	K	85.5	Confident	83.3	Confident	64 Å²	64	56.9 Å²	56.9	28%	0.278	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	128.2	-177.1	-168.7	-164.6	-169.7	-162.3	0	110	M1 V1148 G1150 E1154 T1243 I1244 Y1245	M1-K1152 HydrophobicContact CB-CB 4.33Å; M1-K1152 HydrophobicContact CB-CG 4.44Å; M1-K1152 WeakPolarHBondContact O-CE 3.48Å; V1148-K1152 VanDerWaalsContact CG1-O 3.26Å; V1148-K1152 WeakPolarHBondContact CG1-O 3.28Å; G1150-K1152 PolarHBondContact O-N 2.86Å; K1152-E1154 WeakPolarHBondContact CE-OE1 3.43Å; K1152-E1154 IonicContact NZ-OE1 2.77Å; K1152-E1154 PolarHBondContact NZ-OE1 3.28Å; K1152-T1243 HydrophobicContact CG-CG2 4.27Å; K1152-I1244 WeakPolarHBondContact CA-O 3.4Å; K1152-Y1245 HydrophobicContact CG-CD1 4.13Å
1153	A	86.6	Confident	83.6	Confident	2 Å²	2	55.9 Å²	55.9	2%	0.017	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.3	171.7	0	0	0	0	0	110.7	V1148 L1155 T1243 I1244 L1247 L1273	V1148-A1153 HydrophobicContact CG1-CB 4.49Å; V1148-A1153 HydrophobicContact CG2-CB 3.93Å; A1153-L1155 HydrophobicContact CB-CD1 4.34Å; A1153-T1243 WeakPolarHBondContact O-CA 3.48Å; A1153-I1244 HydrophobicContact CB-CB 4.3Å; A1153-I1244 PolarHBondContact N-O 2.77Å; A1153-I1244 PolarHBondContact O-N 3.12Å; A1153-L1247 HydrophobicContact CB-CD1 4.1Å; A1153-L1247 HydrophobicContact CB-CD2 4.31Å; A1153-L1273 HydrophobicContact CB-CD1 3.98Å
1154	E	88.4	Confident	83.6	Confident	106 Å²	106	53.7 Å²	53.7	50%	0.495	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.7	175.2	-70.9	179.8	-159.2	0	0	109.4	L1146 K1152 T1243	L1146-E1154 WeakPolarHBondContact CD2-O 3.23Å; K1152-E1154 WeakPolarHBondContact CE-OE1 3.43Å; K1152-E1154 IonicContact NZ-OE1 2.77Å; K1152-E1154 PolarHBondContact NZ-OE1 3.28Å; E1154-T1243 HydrophobicContact CG-CG2 4.09Å
1155	L	91.2	Very high	83.4	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138	-177.3	-66.1	81.2	0	0	0	109	L1146 A1153 W1172 T1241 L1242 I1244 Y1255 I1271	L1146-L1155 HydrophobicContact CD2-CD1 4.41Å; L1146-L1155 HydrophobicContact CD2-CG 4.12Å; A1153-L1155 HydrophobicContact CB-CD1 4.34Å; L1155-W1172 HydrophobicContact CB-CH2 3.82Å; L1155-W1172 HydrophobicContact CB-CZ3 3.85Å; L1155-W1172 HydrophobicContact CD2-CZ3 4.28Å; L1155-T1241 CarbonylContact O-C 3.34Å; L1155-T1241 WeakPolarHBondContact O-CA 3.42Å; L1155-L1242 HydrophobicContact CB-CB 4.31Å; L1155-L1242 PolarHBondContact N-O 3.47Å; L1155-L1242 PolarHBondContact O-N 2.93Å; L1155-I1244 HydrophobicContact CD1-CD1 3.89Å; L1155-I1244 HydrophobicContact CD1-CG1 4.02Å; L1155-Y1255 HydrophobicContact CD2-CD2 4.13Å; L1155-Y1255 HydrophobicContact CD2-CG 3.95Å; L1155-I1271 HydrophobicContact CB-CD1 3.98Å; L1155-I1271 HydrophobicContact CD2-CB 4.17Å; L1155-I1271 HydrophobicContact CD2-CD1 4.3Å; L1155-I1271 HydrophobicContact CD2-CG2 3.96Å; L1155-I1271 HydrophobicContact CG-CD1 4.47Å; L1155-I1271 HydrophobicContact CG-CG2 4.35Å
1156	F	89.5	Confident	83.2	Confident	88 Å²	88	49 Å²	49	39%	0.386	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.9	-169.1	-177.5	-88.7	0	0	0	113.3	Q1158 W1231 T1239 T1241	F1156-Q1158 HydrophobicContact CE1-CB 3.92Å; F1156-Q1158 HydrophobicContact CZ-CB 4.21Å; F1156-W1231 HydrophobicContact CE2-CZ2 4.39Å; F1156-T1239 HydrophobicContact CD2-CG2 4.38Å; F1156-T1239 HydrophobicContact CE1-CG2 4.45Å; F1156-T1239 HydrophobicContact CE2-CG2 3.43Å; F1156-T1239 VanDerWaalsContact CE2-CG2 3.43Å; F1156-T1239 HydrophobicContact CZ-CG2 3.47Å; F1156-T1239 VanDerWaalsContact CZ-CG2 3.47Å; F1156-T1241 HydrophobicContact CB-CG2 4.42Å; F1156-T1241 HydrophobicContact CD2-CG2 3.64Å; F1156-T1241 HydrophobicContact CE2-CG2 4.43Å; F1156-T1241 HydrophobicContact CG-CG2 4.46Å
1157	C	89.4	Confident	83.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	143	-179.2	-170.7	0	0	0	0	111.2	W1172 S1240 C1257 M1259	C1157-W1172 HydrophobicContact CB-CH2 3.8Å; C1157-W1172 HydrophobicContact CB-CZ2 3.53Å; C1157-S1240 PolarHBondContact N-O 3.41Å; C1157-S1240 PolarHBondContact O-N 2.94Å; C1157-S1240 VanDerWaalsContact O-O 3.12Å; C1157-C1257 HydrophobicContact CB-CB 3.64Å; C1157-C1257 WeakPolarHBondContact CB-SG 3.17Å; C1157-C1257 WeakPolarHBondContact SG-CB 3.15Å; C1157-C1257 CovalentContact SG-SG 2.04Å; C1157-C1257 PolarHBondContact SG-SG 2.94Å; C1157-M1259 HydrophobicContact CB-CE 4.04Å
1158	Q	90.3	Very high	82.6	Confident	47 Å²	47	48.8 Å²	48.8	22%	0.22	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	142	-176	-169.4	-178.8	-22	0	0	111.3	L1138 L1139 F1156 V1237 M1238 T1239	L1138-Q1158 WeakPolarHBondContact CD1-O 3.25Å; L1139-Q1158 HydrophobicContact CB-CB 4.29Å; L1139-Q1158 HydrophobicContact CB-CG 4.28Å; L1139-Q1158 HydrophobicContact CD1-CG 4.03Å; L1139-Q1158 PolarHBondContact N-O 3.46Å; F1156-Q1158 HydrophobicContact CE1-CB 3.92Å; F1156-Q1158 HydrophobicContact CZ-CB 4.21Å; Q1158-V1237 HydrophobicContact CG-CG1 3.94Å; Q1158-M1238 WeakPolarHBondContact CA-O 3.45Å; Q1158-T1239 HydrophobicContact CB-CG2 4.27Å; Q1158-T1239 HydrophobicContact CG-CG2 4.24Å
1159	S	86.4	Confident	82.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.6	174.6	60.7	0	0	0	0	113.3	Q1137 V1237 M1238 M1259	Q1137-S1159 CarbonylContact O-C 2.98Å; Q1137-S1159 WeakPolarHBondContact O-CA 3.3Å; Q1137-S1159 VanDerWaalsContact O-CB 3.22Å; Q1137-S1159 WeakPolarHBondContact O-CB 3.49Å; S1159-V1237 CarbonylContact O-C 3.57Å; S1159-V1237 WeakPolarHBondContact O-CA 3.26Å; S1159-V1237 WeakPolarHBondContact O-CG1 3.34Å; S1159-M1238 PolarHBondContact N-O 2.56Å; S1159-M1238 PolarHBondContact O-N 3.01Å; S1159-M1259 PolarHBondContact OG-SD 2.93Å
1160	E	88.1	Confident	83.1	Confident	61 Å²	61	43.3 Å²	43.3	29%	0.285	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.9	172.2	-177.7	-162.3	135.9	0	0	109.8	R1107 Y1134 P1136 Q1137 L1139 V1237	R1107-E1160 IonicContact NH1-OE1 3.21Å; R1107-E1160 PolarHBondContact NH1-OE1 2.61Å; Y1134-E1160 HydrophobicContact CE2-CG 4.25Å; Y1134-E1160 PolarHBondContact OH-OE1 3.23Å; P1136-E1160 CarbonylContact C-O 3.58Å; P1136-E1160 WeakPolarHBondContact CA-O 3.38Å; Q1137-E1160 PolarHBondContact N-O 3.41Å; Q1137-E1160 PolarHBondContact O-N 3.38Å; L1139-E1160 HydrophobicContact CD1-CB 4.37Å; E1160-V1237 HydrophobicContact CB-CG2 4.41Å; E1160-V1237 HydrophobicContact CG-CG2 4.38Å
1161	A	83.9	Confident	83.5	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	158.4	176.2	0	0	0	0	0	111.9	Y1134 P1136 P1163 A1164 G1236 N1261	Y1134-A1161 VanDerWaalsContact CE2-CA 3.47Å; P1136-A1161 HydrophobicContact CB-CB 3.96Å; A1161-P1163 CarbonylContact C-O 3.31Å; A1161-P1163 WeakPolarHBondContact CB-O 3.34Å; A1161-P1163 CarbonylContact O-C 3.58Å; A1161-A1164 PolarHBondContact O-N 2.76Å; A1161-G1236 PolarHBondContact N-O 3.3Å; A1161-G1236 CarbonylContact O-C 3.56Å; A1161-G1236 WeakPolarHBondContact O-CA 3.43Å; A1161-N1261 WeakPolarHBondContact CB-ND2 3.41Å
1162	N	83.1	Confident	83.9	Confident	26 Å²	26	40.3 Å²	40.3	14%	0.139	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	111.3	169.2	-175.9	23.2	0	0	0	111.1	N1131 V1132 T1133 Y1134	N1131-N1162 PolarHBondContact OD1-ND2 2.9Å; V1132-N1162 PolarHBondContact O-ND2 2.89Å; T1133-N1162 CarbonylContact C-O 3.4Å; T1133-N1162 WeakPolarHBondContact CA-O 3.38Å; T1133-N1162 WeakPolarHBondContact CB-O 3.41Å; T1133-N1162 WeakPolarHBondContact CG2-O 3.31Å; Y1134-N1162 HydrophobicContact CD1-CB 3.7Å; Y1134-N1162 HydrophobicContact CE1-CB 3.35Å; Y1134-N1162 HydrophobicContact CE2-CB 4.36Å; Y1134-N1162 HydrophobicContact CG-CB 4.33Å; Y1134-N1162 PolarHBondContact N-O 2.69Å; Y1134-N1162 PolarHBondContact O-N 3.28Å; Y1134-N1162 VanDerWaalsContact O-N 3.12Å
1163	P	82.2	Confident	83.7	Confident	64 Å²	64	40.9 Å²	40.9	42%	0.416	21%	0.212	S	C	.	.	S	Bend	cis	-71	161.1	-4.4	32.9	-35.4	0	0	0	111.5	A1161 N1261	A1161-P1163 CarbonylContact C-O 3.31Å; A1161-P1163 WeakPolarHBondContact CB-O 3.34Å; A1161-P1163 CarbonylContact O-C 3.58Å; P1163-N1261 WeakPolarHBondContact O-CB 3.08Å; P1163-N1261 PolarHBondContact O-ND2 2.86Å
1164	A	81.1	Confident	83.2	Confident	30 Å²	30	42 Å²	42	25%	0.248	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-61.5	147.2	173.7	0	0	0	0	0	111.3	A1161 T1166	A1161-A1164 PolarHBondContact O-N 2.76Å; A1164-T1166 PolarHBondContact O-N 2.78Å
1165	P	78.9	Confident	82.2	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.013	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-47.7	137.5	171.1	-32	38.1	0	0	0	112.9	P1136 V1170 M1238 M1259 D1260 N1261	P1136-P1165 HydrophobicContact CB-CG 4.41Å; P1165-V1170 HydrophobicContact CB-CG2 3.83Å; P1165-M1238 HydrophobicContact CB-CB 4.27Å; P1165-M1238 HydrophobicContact CB-CG 4.25Å; P1165-M1238 HydrophobicContact CG-CB 4.25Å; P1165-M1238 WeakPolarHBondContact O-CE 3.37Å; P1165-M1259 HydrophobicContact CG-CB 4.22Å; P1165-D1260 WeakPolarHBondContact CA-O 2.98Å; P1165-D1260 VanDerWaalsContact CB-O 3.22Å; P1165-D1260 WeakPolarHBondContact CB-O 3.31Å; P1165-N1261 HydrophobicContact CG-CB 4.31Å
1166	T	79	Confident	80.6	Confident	80 Å²	80	40.6 Å²	40.6	49%	0.491	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-75.9	159.9	173.9	75.1	0	0	0	0	110.8	A1164 N1168 A1169 V1170	A1164-T1166 PolarHBondContact O-N 2.78Å; T1166-N1168 PolarHBondContact O-N 3.12Å; T1166-N1168 PolarHBondContact OG1-N 2.92Å; T1166-A1169 PolarHBondContact O-N 2.03Å; T1166-A1169 WeakPolarHBondContact OG1-CB 3.4Å; T1166-A1169 PolarHBondContact OG1-N 2.85Å; T1166-V1170 PolarHBondContact O-N 2.8Å
1167	T	78.4	Confident	78.4	Confident	60 Å²	60	41.4 Å²	41.4	37%	0.368	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-58.5	-29.2	174.3	43.9	0	0	0	0	113.1	A1169 C1215 C1230	T1167-A1169 VanDerWaalsContact C-N 3.32Å; T1167-C1215 HydrophobicContact CG2-CB 3.98Å; T1167-C1215 WeakPolarHBondContact O-CB 3.1Å; T1167-C1215 PolarHBondContact O-N 3.16Å; T1167-C1215 PolarHBondContact O-SG 2.95Å; T1167-C1230 HydrophobicContact CG2-CB 4.39Å
1168	N	71.9	Confident	76	Confident	94 Å²	94	44.2 Å²	44.2	50%	0.503	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-83.2	-4.1	174.9	-68.5	-22.4	0	0	0	113.8	T1166 H1214	T1166-N1168 PolarHBondContact O-N 3.12Å; T1166-N1168 PolarHBondContact OG1-N 2.92Å; N1168-H1214 PolarHBondContact O-CD2 3.36Å
1169	A	73.6	Confident	73.4	Confident	29 Å²	29	43.5 Å²	43.5	24%	0.24	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-115.3	8.9	-179.1	0	0	0	0	0	113.2	T1166 T1167 D1260	T1166-A1169 PolarHBondContact O-N 2.03Å; T1166-A1169 WeakPolarHBondContact OG1-CB 3.4Å; T1166-A1169 PolarHBondContact OG1-N 2.85Å; T1167-A1169 VanDerWaalsContact C-N 3.32Å; A1169-D1260 HydrophobicContact CB-CB 4.49Å; A1169-D1260 WeakPolarHBondContact CB-O 3.45Å; A1169-D1260 PolarHBondContact O-N 2.04Å
1170	V	84.2	Confident	70.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.1	167	177.7	0	0	0	0	108.7	P1165 T1166 M1238 N1258 M1259	P1165-V1170 HydrophobicContact CB-CG2 3.83Å; T1166-V1170 PolarHBondContact O-N 2.8Å; V1170-M1238 HydrophobicContact CG2-CG 4.01Å; V1170-N1258 WeakPolarHBondContact CA-O 3.43Å; V1170-M1259 HydrophobicContact CB-CG 4.36Å; V1170-M1259 HydrophobicContact CG1-CE 3.95Å; V1170-M1259 HydrophobicContact CG1-CG 3.85Å; V1170-M1259 HydrophobicContact CG2-CB 4.22Å; V1170-M1259 HydrophobicContact CG2-CE 4.42Å; V1170-M1259 HydrophobicContact CG2-CG 3.86Å
1171	R	83.5	Confident	67.9	Low	91 Å²	91	43.7 Å²	43.7	34%	0.343	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.9	-178.7	61	-179	171.8	153.6	-6.7	112.4	I1213 N1258	R1171-I1213 WeakPolarHBondContact CA-O 3.38Å; R1171-N1258 HydrophobicContact CG-CB 3.97Å; R1171-N1258 PolarHBondContact N-O 3.18Å; R1171-N1258 PolarHBondContact O-N 3.39Å
1172	W	86.2	Confident	65.4	Low	1 Å²	1	46 Å²	46	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.1	170.2	-73.9	89.7	0	0	0	110.1	L1155 C1157 G1212 I1213 S1240 L1242 C1257 I1271	L1155-W1172 HydrophobicContact CB-CH2 3.82Å; L1155-W1172 HydrophobicContact CB-CZ3 3.85Å; L1155-W1172 HydrophobicContact CD2-CZ3 4.28Å; C1157-W1172 HydrophobicContact CB-CH2 3.8Å; C1157-W1172 HydrophobicContact CB-CZ2 3.53Å; W1172-G1212 CarbonylContact O-C 3.59Å; W1172-G1212 WeakPolarHBondContact O-CA 3.27Å; W1172-I1213 PolarHBondContact N-O 3.36Å; W1172-I1213 PolarHBondContact O-N 3.41Å; W1172-S1240 PolarHBondContact NE1-OG 3.03Å; W1172-L1242 HydrophobicContact CB-CD2 4.18Å; W1172-L1242 HydrophobicContact CD2-CB 3.67Å; W1172-L1242 HydrophobicContact CD2-CD2 4.16Å; W1172-L1242 HydrophobicContact CE3-CB 3.97Å; W1172-L1242 HydrophobicContact CE3-CD2 3.95Å; W1172-L1242 HydrophobicContact CG-CB 4Å; W1172-L1242 HydrophobicContact CG-CD2 4.29Å; W1172-L1242 HydrophobicContact CH2-CB 4.46Å; W1172-L1242 HydrophobicContact CZ2-CB 4.19Å; W1172-L1242 HydrophobicContact CZ3-CB 4.36Å; W1172-C1257 HydrophobicContact CD2-CB 4.14Å; W1172-C1257 HydrophobicContact CE3-CB 3.98Å; W1172-C1257 HydrophobicContact CH2-CB 3.98Å; W1172-C1257 HydrophobicContact CZ2-CB 4.12Å; W1172-C1257 HydrophobicContact CZ3-CB 3.9Å; W1172-I1271 HydrophobicContact CH2-CD1 4Å; W1172-I1271 HydrophobicContact CZ3-CD1 3.98Å
1173	R	81.4	Confident	62.9	Low	75 Å²	75	50.4 Å²	50.4	28%	0.283	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.6	172.8	70.1	-174.1	-170.1	107.5	-5.2	111	A1207 Y1255 Q1256	R1173-A1207 CarbonylContact C-O 3.58Å; R1173-A1207 WeakPolarHBondContact CA-O 3.22Å; R1173-Y1255 CarbonylContact O-C 3.35Å; R1173-Q1256 HydrophobicContact CG-CB 4.13Å; R1173-Q1256 VanDerWaalsContact CZ-OE1 3.25Å; R1173-Q1256 PolarHBondContact N-O 3.17Å; R1173-Q1256 PolarHBondContact O-N 2.9Å
1174	R	76.9	Confident	60.3	Low	25 Å²	25	51.1 Å²	51.1	9%	0.094	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	139.6	168.2	-156.9	178.6	-177.8	-168.6	1.1	108.6	T1176 A1207 D1208 N1250 D1251 V1252 R1254 Y1255	R1174-T1176 HydrophobicContact CB-CG2 4.23Å; R1174-T1176 HydrophobicContact CG-CG2 4Å; R1174-T1176 PolarHBondContact O-N 2.88Å; R1174-T1176 VanDerWaalsContact O-N 3.12Å; R1174-A1207 PolarHBondContact N-O 3.42Å; R1174-D1208 WeakPolarHBondContact CD-OD1 3.4Å; R1174-D1208 IonicContact CZ-OD1 2.72Å; R1174-D1208 IonicContact NH1-OD1 3.51Å; R1174-D1208 PolarHBondContact NH1-OD1 2.54Å; R1174-D1208 VanDerWaalsContact NH1-OD1 3.14Å; R1174-N1250 PolarHBondContact NH1-O 2.88Å; R1174-N1250 VanDerWaalsContact NH1-O 3.16Å; R1174-N1250 PolarHBondContact NH2-O 3.08Å; R1174-D1251 PolarHBondContact NH2-O 2.87Å; R1174-V1252 PolarHBondContact NH2-O 2.87Å; R1174-R1254 VanDerWaalsContact CG-O 3.3Å; R1174-R1254 WeakPolarHBondContact CG-O 3.13Å; R1174-Y1255 HydrophobicContact CB-CD1 4.12Å; R1174-Y1255 HydrophobicContact CB-CE1 4Å; R1174-Y1255 HydrophobicContact CG-CD1 4.07Å; R1174-Y1255 HydrophobicContact CG-CD2 4.48Å; R1174-Y1255 HydrophobicContact CG-CE1 3.8Å; R1174-Y1255 HydrophobicContact CG-CE2 4.21Å; R1174-Y1255 HydrophobicContact CG-CG 4.4Å
1175	L	67.2	Low	57.8	Low	46 Å²	46	51.1 Å²	51.1	24%	0.241	29%	0.289	C	S	.	.			trans	-87.2	66.8	172.9	-84.8	168.6	0	0	0	109.2	N1177 R1254 Q1256 T1270	L1175-N1177 PolarHBondContact O-N 3.35Å; L1175-R1254 HydrophobicContact CB-CB 4Å; L1175-R1254 HydrophobicContact CB-CG 3.93Å; L1175-R1254 HydrophobicContact CD1-CG 3.81Å; L1175-R1254 HydrophobicContact CG-CG 4.49Å; L1175-R1254 PolarHBondContact N-O 3.39Å; L1175-Q1256 HydrophobicContact CD1-CB 3.85Å; L1175-Q1256 HydrophobicContact CG-CB 3.98Å; L1175-T1270 HydrophobicContact CD1-CG2 4.03Å
1176	T	56.4	Low	55.6	Low	34 Å²	34	53.7 Å²	53.7	21%	0.209	30%	0.3	C	S	.	.			trans	-77.9	99.7	168.5	49.3	0	0	0	0	109.5	R1174 T1178	R1174-T1176 HydrophobicContact CB-CG2 4.23Å; R1174-T1176 HydrophobicContact CG-CG2 4Å; R1174-T1176 PolarHBondContact O-N 2.88Å; R1174-T1176 VanDerWaalsContact O-N 3.12Å; T1176-T1178 HydrophobicContact CG2-CG2 4.48Å; T1176-T1178 PolarHBondContact O-N 2.84Å
1177	N	45	Very low	53.2	Low	105 Å²	105	53.5 Å²	53.5	56%	0.561	30%	0.297	S	S	*	.			trans	-63.9	92.5	139.8	-81.9	22	0	0	0	104.8	L1175 L1179 N1462	L1175-N1177 PolarHBondContact O-N 3.35Å; N1177-L1179 PolarHBondContact O-N 3.25Å; N1177-N1462 PolarHBondContact ND2-OD1 2.77Å
1178	T	38.8	Very low	50.8	Low	59 Å²	59	56.9 Å²	56.9	36%	0.362	31%	0.311	S	S	.	.			trans	-67.9	127.3	-169.6	32.2	0	0	0	0	110.3	T1176 V1180 V1464	T1176-T1178 HydrophobicContact CG2-CG2 4.48Å; T1176-T1178 PolarHBondContact O-N 2.84Å; T1178-V1180 VanDerWaalsContact CB-CG2 3.43Å; T1178-V1180 HydrophobicContact CG2-CG2 4.39Å; T1178-V1180 PolarHBondContact O-N 2.87Å; T1178-V1180 WeakPolarHBondContact OG1-CG2 3.37Å; T1178-V1464 VanDerWaalsContact O-CG2 3.29Å; T1178-V1464 WeakPolarHBondContact O-CG2 3.02Å
1179	L	35.5	Very low	48.8	Very low	32 Å²	32	61.8 Å²	61.8	17%	0.168	32%	0.324	C	S	.	.			trans	-71.8	72	157.6	-66.9	84.7	0	0	0	107.7	N1177 G1181 Y1182 V1282 V1284 L1365 E1463	N1177-L1179 PolarHBondContact O-N 3.25Å; L1179-G1181 VanDerWaalsContact C-N 3.3Å; L1179-G1181 PolarHBondContact O-N 2.71Å; L1179-Y1182 PolarHBondContact O-N 2.84Å; L1179-V1282 HydrophobicContact CD2-CG1 3.74Å; L1179-V1284 HydrophobicContact CD2-CG2 4.06Å; L1179-L1365 HydrophobicContact CD1-CD2 4Å; L1179-E1463 WeakPolarHBondContact CA-OE2 3.14Å; L1179-E1463 WeakPolarHBondContact CD2-OE1 3.4Å; L1179-E1463 VanDerWaalsContact CG-OE1 3.25Å; L1179-E1463 WeakPolarHBondContact CG-OE1 3.38Å
1180	V	29.8	Very low	46.7	Very low	26 Å²	26	66.8 Å²	66.8	16%	0.158	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	92.3	178.1	-173.9	0	0	0	0	108.3	T1178 S1411 R1413	T1178-V1180 VanDerWaalsContact CB-CG2 3.43Å; T1178-V1180 HydrophobicContact CG2-CG2 4.39Å; T1178-V1180 PolarHBondContact O-N 2.87Å; T1178-V1180 WeakPolarHBondContact OG1-CG2 3.37Å; V1180-S1411 WeakPolarHBondContact CG1-OG 2.99Å; V1180-R1413 VanDerWaalsContact CG1-NH2 3.26Å
1181	G	28.5	Very low	44.1	Very low	39 Å²	39	71.3 Å²	71.3	40%	0.402	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	165.8	-22.4	-174.4	0	0	0	0	0	112.4	L1179 S1184	L1179-G1181 VanDerWaalsContact C-N 3.3Å; L1179-G1181 PolarHBondContact O-N 2.71Å; G1181-S1184 PolarHBondContact O-N 2.97Å; G1181-S1184 PolarHBondContact O-OG 2.88Å
1182	Y	31.6	Very low	41.5	Very low	47 Å²	47	69.8 Å²	69.8	18%	0.184	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-73.1	-29.6	179.8	-137.9	-106.1	0	0	0	114	L1179 S1184 A1185 E1186 V1282 P1283	L1179-Y1182 PolarHBondContact O-N 2.84Å; Y1182-S1184 PolarHBondContact O-N 2.89Å; Y1182-S1184 VanDerWaalsContact O-N 3.15Å; Y1182-A1185 PolarHBondContact O-N 3.25Å; Y1182-E1186 HydrophobicContact CD1-CG 4.29Å; Y1182-E1186 HydrophobicContact CE1-CG 4.18Å; Y1182-E1186 PolarHBondContact O-N 2.94Å; Y1182-V1282 HydrophobicContact CD2-CG1 3.69Å; Y1182-V1282 HydrophobicContact CE2-CB 4.08Å; Y1182-V1282 HydrophobicContact CE2-CG1 3.34Å; Y1182-P1283 HydrophobicContact CE2-CG 3.94Å; Y1182-P1283 WeakPolarHBondContact OH-CD 3.45Å
1183	D	30.8	Very low	38.7	Very low	119 Å²	119	76.5 Å²	76.5	64%	0.636	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-62.9	-16.4	173	-69.9	-41.6	0	0	0	113.6	N1187	D1183-N1187 PolarHBondContact O-ND2 2.88Å
1184	S	27.6	Very low	36.1	Very low	80 Å²	80	74.7 Å²	74.7	56%	0.559	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-87.6	-18.4	170.8	20.7	0	0	0	0	113.9	G1181 Y1182	G1181-S1184 PolarHBondContact O-N 2.97Å; G1181-S1184 PolarHBondContact O-OG 2.88Å; Y1182-S1184 PolarHBondContact O-N 2.89Å; Y1182-S1184 VanDerWaalsContact O-N 3.15Å
1185	A	28	Very low	33.7	Very low	29 Å²	29	77.2 Å²	77.2	24%	0.24	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-35.8	-175.1	0	0	0	0	0	113.3	Y1182 N1187 I1188	Y1182-A1185 PolarHBondContact O-N 3.25Å; A1185-N1187 PolarHBondContact O-N 3Å; A1185-I1188 WeakPolarHBondContact O-CB 3.4Å; A1185-I1188 PolarHBondContact O-N 2.86Å
1186	E	32.8	Very low	31.7	Very low	56 Å²	56	75.3 Å²	75.3	26%	0.262	40%	0.397	S	S	.	.	H	α-helix	trans	-67.8	-18.9	175.1	-70.8	-159.1	166.4	0	0	112.9	Y1182 I1188 Y1189 R1190 R1280	Y1182-E1186 HydrophobicContact CD1-CG 4.29Å; Y1182-E1186 HydrophobicContact CE1-CG 4.18Å; Y1182-E1186 PolarHBondContact O-N 2.94Å; E1186-I1188 PolarHBondContact O-N 2.87Å; E1186-Y1189 PolarHBondContact O-N 2.86Å; E1186-R1190 WeakPolarHBondContact O-CB 3.31Å; E1186-R1190 WeakPolarHBondContact O-CG 3.03Å; E1186-R1190 PolarHBondContact O-N 2.6Å; E1186-R1280 IonicContact OE1-CZ 3.26Å; E1186-R1280 VanDerWaalsContact OE1-CZ 3.26Å; E1186-R1280 IonicContact OE1-NH1 2.79Å; E1186-R1280 PolarHBondContact OE1-NH1 2.86Å; E1186-R1280 IonicContact OE1-NH2 2.81Å; E1186-R1280 PolarHBondContact OE1-NH2 3.27Å
1187	N	28.9	Very low	30.1	Very low	77 Å²	77	76 Å²	76	41%	0.412	40%	0.404	S	S	.	.	H	α-helix	trans	-66.6	-13.1	167.9	-67.9	-28.2	0	0	0	113.8	D1183 A1185 N1191	D1183-N1187 PolarHBondContact O-ND2 2.88Å; A1185-N1187 PolarHBondContact O-N 3Å; N1187-N1191 PolarHBondContact O-ND2 3.19Å; N1187-N1191 PolarHBondContact O-OD1 3.17Å
1188	I	29.2	Very low	29.2	Very low	130 Å²	130	73.3 Å²	73.3	67%	0.667	39%	0.387	S	S	*	.	H	α-helix	trans	-90.4	-28.4	176.9	-55.8	178.5	0	0	0	110.8	A1185 E1186	A1185-I1188 WeakPolarHBondContact O-CB 3.4Å; A1185-I1188 PolarHBondContact O-N 2.86Å; E1186-I1188 PolarHBondContact O-N 2.87Å
1189	Y	27.9	Very low	28.5	Very low	197 Å²	197	72.8 Å²	72.8	77%	0.773	39%	0.386	S	S	*	.	H	α-helix	trans	-89.6	-22.7	173	-124.6	-79.4	0	0	0	113.1	E1186 N1191 S1192	E1186-Y1189 PolarHBondContact O-N 2.86Å; Y1189-N1191 PolarHBondContact O-N 3.02Å; Y1189-S1192 PolarHBondContact O-N 2.79Å; Y1189-S1192 PolarHBondContact O-OG 3.07Å
1190	R	31.1	Very low	28	Very low	135 Å²	135	73.4 Å²	73.4	51%	0.509	39%	0.391	S	S	.	.	S	Bend	trans	-72.9	-2.9	165.3	-71.2	180	-173.4	-171.2	4.2	114	D626 E1186	D626-R1190 VanDerWaalsContact OD2-O 3.12Å; E1186-R1190 WeakPolarHBondContact O-CB 3.31Å; E1186-R1190 WeakPolarHBondContact O-CG 3.03Å; E1186-R1190 PolarHBondContact O-N 2.6Å
1191	N	29.1	Very low	27.9	Very low	94 Å²	94	78.7 Å²	78.7	50%	0.503	41%	0.412	S	S	.	.	S	Bend	trans	-103.8	48.6	165.3	-64.9	-3.5	0	0	0	109.1	P625 D626 N1187 Y1189	P625-N1191 HydrophobicContact CG-CB 4.21Å; D626-N1191 VanDerWaalsContact OD2-CA 3.28Å; D626-N1191 WeakPolarHBondContact OD2-CA 3.41Å; N1187-N1191 PolarHBondContact O-ND2 3.19Å; N1187-N1191 PolarHBondContact O-OD1 3.17Å; Y1189-N1191 PolarHBondContact O-N 3.02Å
1192	S	28	Very low	27.8	Very low	60 Å²	60	80.8 Å²	80.8	42%	0.42	42%	0.42	S	S	.	.	S	Bend	trans	-147	-2.5	170.3	72.2	0	0	0	0	115.2	D626 Y1189	D626-S1192 VanDerWaalsContact CG-C 3.45Å; D626-S1192 VanDerWaalsContact CG-N 3.29Å; D626-S1192 WeakPolarHBondContact OD1-CA 3.4Å; D626-S1192 PolarHBondContact OD1-N 3.36Å; D626-S1192 VanDerWaalsContact OD1-N 3.15Å; D626-S1192 WeakPolarHBondContact OD2-CA 3.43Å; D626-S1192 PolarHBondContact OD2-N 2.73Å; Y1189-S1192 PolarHBondContact O-N 2.79Å; Y1189-S1192 PolarHBondContact O-OG 3.07Å
1193	I	28.6	Very low	27.8	Very low	142 Å²	142	83.2 Å²	83.2	73%	0.728	43%	0.433	S	S	*	.	S	Bend	trans	-145.8	125.8	170.6	-54.5	-179.1	0	0	0	111	D626	D626-I1193 VanDerWaalsContact CG-C 3.49Å; D626-I1193 PolarHBondContact OD1-N 2.9Å; D626-I1193 PolarHBondContact OD2-N 2.91Å; D626-I1193 VanDerWaalsContact OD2-O 3.14Å
1194	S	25.4	Very low	28.3	Very low	37 Å²	37	81.3 Å²	81.3	26%	0.259	43%	0.426	S	S	.	.			trans	-79.7	138.8	-157.7	66.2	0	0	0	0	120.2	L628	L628-S1194 PolarHBondContact N-OG 3.43Å
1195	R	27.2	Very low	29.1	Very low	78 Å²	78	78.1 Å²	78.1	29%	0.294	40%	0.404	S	S	.	.			trans	51.3	112.1	141.2	-73	179.4	159.4	171.9	-6.4	118.3	E624	E624-R1195 IonicContact OE2-CZ 3.61Å; E624-R1195 VanDerWaalsContact OE2-CZ 3.27Å; E624-R1195 IonicContact OE2-NE 2.62Å; E624-R1195 PolarHBondContact OE2-NE 2.94Å; E624-R1195 IonicContact OE2-NH2 3.18Å; E624-R1195 PolarHBondContact OE2-NH2 3.38Å
1196	S	24.9	Very low	30	Very low	5 Å²	5	79 Å²	79	4%	0.035	40%	0.403	C	S	.	.				-161.3	128.7	94.5	58.9	0	0	0	0	117.9	Y451 M454	Y451-S1196 VanDerWaalsContact CB-CB 3.48Å; Y451-S1196 WeakPolarHBondContact CB-OG 3.42Å; Y451-S1196 WeakPolarHBondContact CD1-OG 3.34Å; M454-S1196 WeakPolarHBondContact CE-OG 3.08Å; M454-S1196 WeakPolarHBondContact CG-OG 3.48Å; M454-S1196 PolarHBondContact SD-OG 2.87Å
1197	S	23.9	Very low	30.4	Very low	49 Å²	49	76.4 Å²	76.4	34%	0.343	39%	0.391	S	S	.	.			trans	54.5	68.2	145	59.2	0	0	0	0	116.9	L459	L459-S1197 PolarHBondContact N-O 3.27Å
1198	F	25.8	Very low	31.3	Very low	49 Å²	49	75 Å²	75	22%	0.215	38%	0.383	C	S	.	.			trans	-64.4	-178	-176.1	90.4	-55.4	0	0	0	112.7	T460 A461 F462	T460-F1198 CarbonylContact O-C 3.45Å; T460-F1198 WeakPolarHBondContact O-CA 3.43Å; T460-F1198 WeakPolarHBondContact O-CB 3.37Å; T460-F1198 WeakPolarHBondContact O-CD2 3.34Å; T460-F1198 WeakPolarHBondContact O-CG 3.26Å; A461-F1198 HydrophobicContact CB-CD1 4.28Å; A461-F1198 HydrophobicContact CB-CD2 3.71Å; A461-F1198 HydrophobicContact CB-CE1 4.07Å; A461-F1198 HydrophobicContact CB-CE2 3.5Å; A461-F1198 HydrophobicContact CB-CG 4.08Å; A461-F1198 HydrophobicContact CB-CZ 3.68Å; F462-F1198 HydrophobicContact CD2-CB 4.2Å; F462-F1198 AromaticContact CD2-CD1 3.48Å; F462-F1198 HydrophobicContact CD2-CD1 3.48Å; F462-F1198 VanDerWaalsContact CD2-CD1 3.48Å; F462-F1198 HydrophobicContact CD2-CE1 4.2Å; F462-F1198 HydrophobicContact CD2-CG 4.07Å; F462-F1198 AromaticContact CE2-CD1 3.37Å; F462-F1198 HydrophobicContact CE2-CD1 3.37Å; F462-F1198 AromaticContact CE2-CE1 3.93Å; F462-F1198 HydrophobicContact CE2-CE1 3.93Å; F462-F1198 HydrophobicContact CE2-CG 4.34Å
1199	S	24.3	Very low	32.1	Very low	48 Å²	48	70.2 Å²	70.2	34%	0.336	36%	0.361	S	S	.	.			trans	-164.6	73.5	169	-166.9	0	0	0	0	113.6	T460 F462 K1201	T460-S1199 VanDerWaalsContact CB-O 3.23Å; T460-S1199 WeakPolarHBondContact CB-O 3.3Å; T460-S1199 PolarHBondContact O-N 2.85Å; F462-S1199 CarbonylContact O-C 3.52Å; F462-S1199 VanDerWaalsContact O-C 3.27Å; F462-S1199 WeakPolarHBondContact O-CA 3.27Å; F462-S1199 PolarHBondContact O-N 3.08Å; S1199-K1201 PolarHBondContact O-N 3.19Å
1200	T	25.5	Very low	32.9	Very low	44 Å²	44	64.7 Å²	64.7	27%	0.27	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-56	125.6	-159.1	-41.1	0	0	0	0	117.6	A461 F462 G463	A461-T1200 WeakPolarHBondContact CA-OG1 3.45Å; A461-T1200 PolarHBondContact O-OG1 2.9Å; F462-T1200 VanDerWaalsContact C-N 3.35Å; F462-T1200 WeakPolarHBondContact CA-OG1 3.04Å; F462-T1200 PolarHBondContact N-OG1 2.84Å; F462-T1200 VanDerWaalsContact N-OG1 3.11Å; F462-T1200 PolarHBondContact O-N 2.98Å; F462-T1200 PolarHBondContact O-OG1 2.78Å; G463-T1200 WeakPolarHBondContact CA-OG1 3.3Å; G463-T1200 PolarHBondContact N-OG1 2.91Å
1201	K	26.1	Very low	33.8	Very low	138 Å²	138	61 Å²	61	60%	0.6	35%	0.354	S	S	*	.				-145.6	128.6	129.3	-83.2	112.5	-173.9	-174.9	0	106.2	T460 S1199 H1203	T460-K1201 WeakPolarHBondContact CB-O 2.98Å; T460-K1201 VanDerWaalsContact CG2-O 3.29Å; T460-K1201 WeakPolarHBondContact CG2-O 3.44Å; T460-K1201 VanDerWaalsContact OG1-C 3.28Å; T460-K1201 PolarHBondContact OG1-N 3.17Å; T460-K1201 PolarHBondContact OG1-O 2.97Å; S1199-K1201 PolarHBondContact O-N 3.19Å; K1201-H1203 PolarHBondContact O-CD2 2.91Å; K1201-H1203 VanDerWaalsContact O-CD2 3.27Å; K1201-H1203 PolarHBondContact O-N 2.91Å
1202	S	26.7	Very low	35.5	Very low	83 Å²	83	56.5 Å²	56.5	58%	0.58	33%	0.33	S	S	*	.			trans	-60.6	109.7	175.8	48.3	0	0	0	0	108.5	T1204	S1202-T1204 PolarHBondContact O-N 2.88Å
1203	H	33.1	Very low	37.6	Very low	97 Å²	97	53.7 Å²	53.7	45%	0.449	31%	0.311	S	S	.	.			trans	-73.3	68.3	170.4	-76.8	-100.4	0	0	0	108.3	D457 T460 K1201 S1205 E1219	D457-H1203 IonicContact OD1-CG 3.92Å; T460-H1203 VanDerWaalsContact CG2-CD2 3.48Å; T460-H1203 WeakPolarHBondContact CG2-CD2 3.42Å; K1201-H1203 PolarHBondContact O-CD2 2.91Å; K1201-H1203 VanDerWaalsContact O-CD2 3.27Å; K1201-H1203 PolarHBondContact O-N 2.91Å; H1203-S1205 PolarHBondContact O-N 3.01Å; H1203-E1219 IonicContact ND1-OE1 2.68Å
1204	T	39.9	Very low	39.8	Very low	79 Å²	79	48.7 Å²	48.7	49%	0.485	28%	0.284	S	S	.	.			trans	-48.1	110.7	150.8	50.4	0	0	0	0	104.9	S1202	S1202-T1204 PolarHBondContact O-N 2.88Å
1205	S	44	Very low	42.1	Very low	14 Å²	14	47.2 Å²	47.2	10%	0.098	27%	0.274	C	S	.	.			trans	-57.8	150.3	-165.6	75.9	0	0	0	0	109.6	H1203 A1207 D1208 S1209	H1203-S1205 PolarHBondContact O-N 3.01Å; S1205-A1207 CarbonylContact O-C 3.53Å; S1205-A1207 PolarHBondContact O-N 2.65Å; S1205-D1208 WeakPolarHBondContact CB-OD2 3.48Å; S1205-D1208 PolarHBondContact N-OD2 3.31Å; S1205-D1208 PolarHBondContact O-N 3.46Å; S1205-D1208 PolarHBondContact OG-N 2.85Å; S1205-D1208 PolarHBondContact OG-OD2 2.85Å; S1205-S1209 PolarHBondContact O-N 2.97Å; S1205-S1209 VanDerWaalsContact O-N 3.1Å
1206	Q	46.9	Very low	43.8	Very low	48 Å²	48	48 Å²	48	22%	0.224	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.2	-179	-172.8	169.9	25.5	0	0	112.4	S1209 G1212 I1213 E1219	Q1206-S1209 PolarHBondContact O-OG 3.31Å; Q1206-G1212 WeakPolarHBondContact CG-O 3.21Å; Q1206-G1212 PolarHBondContact NE2-O 2.99Å; Q1206-G1212 CarbonylContact O-C 3.43Å; Q1206-G1212 WeakPolarHBondContact O-CA 3.37Å; Q1206-I1213 HydrophobicContact CB-CG1 3.96Å; Q1206-I1213 HydrophobicContact CG-CG1 4.03Å; Q1206-E1219 VanDerWaalsContact CB-OE2 3.24Å; Q1206-E1219 WeakPolarHBondContact CB-OE2 3.34Å; Q1206-E1219 PolarHBondContact N-OE2 2.63Å
1207	A	42.3	Very low	45.3	Very low	1 Å²	1	50.7 Å²	50.7	1%	0.008	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-42.4	167.1	0	0	0	0	0	114.4	R1173 R1174 S1205 S1209 I1213	R1173-A1207 CarbonylContact C-O 3.58Å; R1173-A1207 WeakPolarHBondContact CA-O 3.22Å; R1174-A1207 PolarHBondContact N-O 3.42Å; S1205-A1207 CarbonylContact O-C 3.53Å; S1205-A1207 PolarHBondContact O-N 2.65Å; A1207-S1209 PolarHBondContact O-N 2.79Å; A1207-I1213 HydrophobicContact CB-CD1 3.84Å; A1207-I1213 HydrophobicContact CB-CG1 4.23Å
1208	D	47.3	Very low	46.5	Very low	46 Å²	46	49.3 Å²	49.3	25%	0.246	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.2	176.8	-50.6	-66.6	0	0	0	112.2	R1174 S1205	R1174-D1208 WeakPolarHBondContact CD-OD1 3.4Å; R1174-D1208 IonicContact CZ-OD1 2.72Å; R1174-D1208 IonicContact NH1-OD1 3.51Å; R1174-D1208 PolarHBondContact NH1-OD1 2.54Å; R1174-D1208 VanDerWaalsContact NH1-OD1 3.14Å; S1205-D1208 WeakPolarHBondContact CB-OD2 3.48Å; S1205-D1208 PolarHBondContact N-OD2 3.31Å; S1205-D1208 PolarHBondContact O-N 3.46Å; S1205-D1208 PolarHBondContact OG-N 2.85Å; S1205-D1208 PolarHBondContact OG-OD2 2.85Å
1209	S	46.4	Very low	47.3	Very low	30 Å²	30	50.1 Å²	50.1	21%	0.21	29%	0.293	C	S	.	.	S	Bend	trans	-71.5	150.1	177.4	84.5	0	0	0	0	113.5	S1205 Q1206 A1207 A1211 G1212	S1205-S1209 PolarHBondContact O-N 2.97Å; S1205-S1209 VanDerWaalsContact O-N 3.1Å; Q1206-S1209 PolarHBondContact O-OG 3.31Å; A1207-S1209 PolarHBondContact O-N 2.79Å; S1209-A1211 PolarHBondContact O-N 3Å; S1209-G1212 PolarHBondContact O-N 2.57Å; S1209-G1212 PolarHBondContact OG-N 3.16Å; S1209-G1212 VanDerWaalsContact OG-N 3.08Å
1210	A	44.8	Very low	48	Very low	82 Å²	82	53.5 Å²	53.5	68%	0.678	30%	0.299	S	S	*	.	S	Bend	trans	-65.1	-23.3	174.2	0	0	0	0	0	113.6
1211	A	50.4	Low	48.4	Very low	56 Å²	56	54.2 Å²	54.2	46%	0.463	30%	0.301	S	S	.	.	S	Bend	trans	-71.3	-41.1	174.5	0	0	0	0	0	111.8	S1209 H1214	S1209-A1211 PolarHBondContact O-N 3Å; A1211-H1214 PolarHBondContact O-CE1 2.86Å; A1211-H1214 VanDerWaalsContact O-CE1 3.25Å
1212	G	63.2	Low	49.1	Very low	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.315	C	S	.	.			trans	77.1	166.3	-177	0	0	0	0	0	114.3	W1172 Q1206 S1209 H1214	W1172-G1212 CarbonylContact O-C 3.59Å; W1172-G1212 WeakPolarHBondContact O-CA 3.27Å; Q1206-G1212 WeakPolarHBondContact CG-O 3.21Å; Q1206-G1212 PolarHBondContact NE2-O 2.99Å; Q1206-G1212 CarbonylContact O-C 3.43Å; Q1206-G1212 WeakPolarHBondContact O-CA 3.37Å; S1209-G1212 PolarHBondContact O-N 2.57Å; S1209-G1212 PolarHBondContact OG-N 3.16Å; S1209-G1212 VanDerWaalsContact OG-N 3.08Å; G1212-H1214 PolarHBondContact O-CE1 2.84Å; G1212-H1214 PolarHBondContact O-ND1 3.47Å
1213	I	73.7	Confident	50	Low	1 Å²	1	52.9 Å²	52.9	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122.3	173.6	-52.6	-179.2	0	0	0	108.6	R1171 W1172 Q1206 A1207 K1217 Y1226 A1228 L1242	R1171-I1213 WeakPolarHBondContact CA-O 3.38Å; W1172-I1213 PolarHBondContact N-O 3.36Å; W1172-I1213 PolarHBondContact O-N 3.41Å; Q1206-I1213 HydrophobicContact CB-CG1 3.96Å; Q1206-I1213 HydrophobicContact CG-CG1 4.03Å; A1207-I1213 HydrophobicContact CB-CD1 3.84Å; A1207-I1213 HydrophobicContact CB-CG1 4.23Å; I1213-K1217 WeakPolarHBondContact CG2-O 3.4Å; I1213-Y1226 HydrophobicContact CD1-CD2 4.33Å; I1213-Y1226 HydrophobicContact CD1-CG 3.93Å; I1213-A1228 HydrophobicContact CB-CB 4.49Å; I1213-A1228 HydrophobicContact CG2-CB 3.68Å; I1213-L1242 HydrophobicContact CD1-CD1 4.22Å
1214	H	74.3	Confident	51.1	Low	38 Å²	38	53.7 Å²	53.7	18%	0.176	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	164.4	177.5	-65.6	59.7	0	0	0	110.8	N1168 A1211 G1212 K1217	N1168-H1214 PolarHBondContact O-CD2 3.36Å; A1211-H1214 PolarHBondContact O-CE1 2.86Å; A1211-H1214 VanDerWaalsContact O-CE1 3.25Å; G1212-H1214 PolarHBondContact O-CE1 2.84Å; G1212-H1214 PolarHBondContact O-ND1 3.47Å; H1214-K1217 HydrophobicContact CB-CD 4.4Å; H1214-K1217 PolarHBondContact O-N 3.08Å
1215	C	73.1	Confident	52.6	Low	6 Å²	6	51.3 Å²	51.3	4%	0.041	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	140.6	176.3	-59.1	0	0	0	0	112.7	T1167 K1217 C1230	T1167-C1215 HydrophobicContact CG2-CB 3.98Å; T1167-C1215 WeakPolarHBondContact O-CB 3.1Å; T1167-C1215 PolarHBondContact O-N 3.16Å; T1167-C1215 PolarHBondContact O-SG 2.95Å; C1215-K1217 PolarHBondContact O-N 3.27Å; C1215-C1230 HydrophobicContact CB-CB 3.63Å; C1215-C1230 WeakPolarHBondContact CB-SG 3.34Å; C1215-C1230 WeakPolarHBondContact SG-CB 3.36Å; C1215-C1230 CovalentContact SG-SG 2.01Å; C1215-C1230 PolarHBondContact SG-SG 3.24Å
1216	D	64.4	Low	54.2	Low	93 Å²	93	51.4 Å²	51.4	50%	0.497	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	14.6	177.8	-54.4	-53.5	0	0	0	114.5	A1228	D1216-A1228 PolarHBondContact N-O 3.37Å
1217	K	55.6	Low	55.7	Low	62 Å²	62	51.6 Å²	51.6	27%	0.27	29%	0.292	S	S	.	.			trans	-107.3	154	165.8	-61	-168.2	-180	-174.6	0	110.6	I1213 H1214 C1215 A1228 S1693	I1213-K1217 WeakPolarHBondContact CG2-O 3.4Å; H1214-K1217 HydrophobicContact CB-CD 4.4Å; H1214-K1217 PolarHBondContact O-N 3.08Å; C1215-K1217 PolarHBondContact O-N 3.27Å; K1217-A1228 PolarHBondContact O-N 2.88Å; K1217-S1693 PolarHBondContact NZ-O 2.86Å; K1217-S1693 PolarHBondContact NZ-OG 3.02Å; K1217-S1693 VanDerWaalsContact NZ-OG 3.13Å
1218	G	49	Very low	57.8	Low	21 Å²	21	51.6 Å²	51.6	22%	0.216	29%	0.292	C	S	.	.			trans	-177.7	146.4	176.7	0	0	0	0	0	111.4	F1224 Y1226	G1218-F1224 WeakPolarHBondContact O-CD1 3.11Å; G1218-Y1226 WeakPolarHBondContact CA-O 3.3Å
1219	E	43.1	Very low	59.6	Low	65 Å²	65	52 Å²	52	30%	0.304	29%	0.291	S	S	.	.			trans	-106.6	127.1	177.3	-66.5	179.1	116.7	0	0	110.1	H1203 Q1206 K1225	H1203-E1219 IonicContact ND1-OE1 2.68Å; Q1206-E1219 VanDerWaalsContact CB-OE2 3.24Å; Q1206-E1219 WeakPolarHBondContact CB-OE2 3.34Å; Q1206-E1219 PolarHBondContact N-OE2 2.63Å; E1219-K1225 PolarHBondContact O-N 3.43Å
1220	W	37.6	Very low	61.5	Low	120 Å²	120	51.2 Å²	51.2	46%	0.455	29%	0.286	S	S	.	.				-164.8	144.7	108.5	-150.9	-9.5	0	0	0	107.9	D457 G1223 K1225	D457-W1220 PolarHBondContact OD2-NE1 3.23Å; W1220-G1223 VanDerWaalsContact CB-O 3.32Å; W1220-G1223 WeakPolarHBondContact CB-O 3.36Å; W1220-G1223 CarbonylContact O-C 3.59Å; W1220-G1223 PolarHBondContact O-N 2.79Å; W1220-K1225 HydrophobicContact CB-CB 4.35Å; W1220-K1225 HydrophobicContact CD2-CB 4.4Å; W1220-K1225 HydrophobicContact CE3-CB 3.7Å; W1220-K1225 HydrophobicContact CE3-CD 4.17Å; W1220-K1225 HydrophobicContact CE3-CG 4Å; W1220-K1225 HydrophobicContact CZ3-CB 4.34Å; W1220-K1225 HydrophobicContact CZ3-CD 3.93Å; W1220-K1225 HydrophobicContact CZ3-CG 4.15Å
1221	N	34.3	Very low	63.4	Low	59 Å²	59	50 Å²	50	32%	0.316	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	138.3	166.1	-62.2	-66.6	0	0	0	109.9	N455 L456 D457 G1223	N455-N1221 PolarHBondContact ND2-O 3.22Å; N455-N1221 WeakPolarHBondContact OD1-CB 3.49Å; N455-N1221 PolarHBondContact OD1-O 2.82Å; L456-N1221 HydrophobicContact CB-CB 3.78Å; L456-N1221 WeakPolarHBondContact CD2-OD1 3.46Å; L456-N1221 PolarHBondContact O-ND2 2.76Å; D457-N1221 PolarHBondContact OD2-ND2 3.46Å; N1221-G1223 PolarHBondContact O-N 2.86Å; N1221-G1223 VanDerWaalsContact O-N 3.16Å
1222	V	41.3	Very low	64.8	Low	149 Å²	149	50.2 Å²	50.2	90%	0.903	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-9.2	-170.8	-170.2	0	0	0	0	115.3	N455	N455-V1222 WeakPolarHBondContact OD1-CG2 3.33Å
1223	G	45.4	Very low	65.2	Low	44 Å²	44	52.5 Å²	52.5	45%	0.454	28%	0.277	S	S	.	.	S	Bend	trans	150.5	138.1	163.5	0	0	0	0	0	114.3	W1220 N1221 K1225	W1220-G1223 VanDerWaalsContact CB-O 3.32Å; W1220-G1223 WeakPolarHBondContact CB-O 3.36Å; W1220-G1223 CarbonylContact O-C 3.59Å; W1220-G1223 PolarHBondContact O-N 2.79Å; N1221-G1223 PolarHBondContact O-N 2.86Å; N1221-G1223 VanDerWaalsContact O-N 3.16Å; G1223-K1225 PolarHBondContact O-N 3.43Å
1224	F	55.9	Low	65.2	Low	113 Å²	113	54 Å²	54	50%	0.496	29%	0.29	S	S	.	.			trans	-42.6	128.5	-171.9	-47.6	-72.5	0	0	0	114.7	G1218 Y1245	G1218-F1224 WeakPolarHBondContact O-CD1 3.11Å; F1224-Y1245 HydrophobicContact CB-CD2 4.49Å; F1224-Y1245 HydrophobicContact CB-CE2 4.3Å; F1224-Y1245 WeakPolarHBondContact O-CD2 3.25Å
1225	K	71.4	Confident	64.9	Low	29 Å²	29	56.7 Å²	56.7	13%	0.126	31%	0.311	C	S	.	.	S	Bend	trans	-85.2	-46.8	161.8	-158.3	-165.7	178.8	-164.1	0	111	E1219 W1220 G1223 I1244 Y1245 D1251	E1219-K1225 PolarHBondContact O-N 3.43Å; W1220-K1225 HydrophobicContact CB-CB 4.35Å; W1220-K1225 HydrophobicContact CD2-CB 4.4Å; W1220-K1225 HydrophobicContact CE3-CB 3.7Å; W1220-K1225 HydrophobicContact CE3-CD 4.17Å; W1220-K1225 HydrophobicContact CE3-CG 4Å; W1220-K1225 HydrophobicContact CZ3-CB 4.34Å; W1220-K1225 HydrophobicContact CZ3-CD 3.93Å; W1220-K1225 HydrophobicContact CZ3-CG 4.15Å; G1223-K1225 PolarHBondContact O-N 3.43Å; K1225-I1244 WeakPolarHBondContact O-CA 3.41Å; K1225-Y1245 VanDerWaalsContact CG-O 3.31Å; K1225-Y1245 WeakPolarHBondContact CG-O 3.32Å; K1225-Y1245 WeakPolarHBondContact O-CD2 3.42Å; K1225-Y1245 PolarHBondContact O-N 3.37Å; K1225-D1251 IonicContact NZ-OD1 2.71Å; K1225-D1251 PolarHBondContact NZ-OD1 3.47Å; K1225-D1251 IonicContact NZ-OD2 2.72Å; K1225-D1251 PolarHBondContact NZ-OD2 2.98Å
1226	Y	77	Confident	64.9	Low	16 Å²	16	57.3 Å²	57.3	6%	0.063	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.5	177.4	-50.6	-75.9	0	0	0	109	I1213 G1218 T1243 I1244 D1251	I1213-Y1226 HydrophobicContact CD1-CD2 4.33Å; I1213-Y1226 HydrophobicContact CD1-CG 3.93Å; G1218-Y1226 WeakPolarHBondContact CA-O 3.3Å; Y1226-T1243 WeakPolarHBondContact CA-O 3.5Å; Y1226-I1244 HydrophobicContact CD1-CB 4.42Å; Y1226-I1244 HydrophobicContact CD1-CD1 4.41Å; Y1226-I1244 HydrophobicContact CD1-CG1 4.07Å; Y1226-I1244 HydrophobicContact CD1-CG2 3.91Å; Y1226-I1244 HydrophobicContact CE1-CD1 4.36Å; Y1226-I1244 HydrophobicContact CE1-CG1 4.43Å; Y1226-I1244 HydrophobicContact CE1-CG2 3.8Å; Y1226-D1251 PolarHBondContact OH-OD1 3.29Å; Y1226-D1251 VanDerWaalsContact OH-OD1 3.06Å
1227	Y	80.3	Confident	65.9	Low	53 Å²	53	53.7 Å²	53.7	21%	0.208	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	115.4	178.6	177.3	-111.4	0	0	0	110.2	K1229 T1243	Y1227-K1229 HydrophobicContact CD1-CB 4.45Å; Y1227-K1229 HydrophobicContact CE1-CB 3.8Å; Y1227-K1229 HydrophobicContact CE1-CD 4.46Å; Y1227-K1229 HydrophobicContact CE1-CG 4.29Å; Y1227-T1243 PolarHBondContact N-O 2.78Å; Y1227-T1243 PolarHBondContact O-N 2.83Å
1228	A	85.3	Confident	67.3	Low	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.6	176.1	0	0	0	0	0	110.1	I1213 D1216 K1217 T1241 L1242	I1213-A1228 HydrophobicContact CB-CB 4.49Å; I1213-A1228 HydrophobicContact CG2-CB 3.68Å; D1216-A1228 PolarHBondContact N-O 3.37Å; K1217-A1228 PolarHBondContact O-N 2.88Å; A1228-T1241 CarbonylContact C-O 3.58Å; A1228-T1241 WeakPolarHBondContact CA-O 3.42Å; A1228-L1242 HydrophobicContact CB-CD1 4.48Å
1229	K	84.5	Confident	69.3	Low	55 Å²	55	50.6 Å²	50.6	24%	0.239	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141.2	177.9	-169.5	-172.7	-177.7	92.6	0	110.1	R6 Y1227 W1231 S1240 T1241	R6-K1229 PolarHBondContact O-NZ 3.38Å; R6-K1229 VanDerWaalsContact O-NZ 3.07Å; Y1227-K1229 HydrophobicContact CD1-CB 4.45Å; Y1227-K1229 HydrophobicContact CE1-CB 3.8Å; Y1227-K1229 HydrophobicContact CE1-CD 4.46Å; Y1227-K1229 HydrophobicContact CE1-CG 4.29Å; K1229-W1231 HydrophobicContact CD-CE3 4.41Å; K1229-W1231 HydrophobicContact CD-CZ3 4.37Å; K1229-W1231 HydrophobicContact CG-CE3 4.34Å; K1229-W1231 HydrophobicContact CG-CZ3 4.45Å; K1229-S1240 CarbonylContact O-C 3.57Å; K1229-S1240 VanDerWaalsContact O-CA 3.3Å; K1229-S1240 WeakPolarHBondContact O-CA 3.08Å; K1229-S1240 PolarHBondContact O-OG 2.88Å; K1229-T1241 PolarHBondContact N-O 3.42Å; K1229-T1241 PolarHBondContact O-N 2.86Å
1230	C	86.7	Confident	71.5	Confident	14 Å²	14	47.5 Å²	47.5	10%	0.095	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.8	178	-57	0	0	0	0	112.5	T1167 C1215 M1238 T1239 S1240	T1167-C1230 HydrophobicContact CG2-CB 4.39Å; C1215-C1230 HydrophobicContact CB-CB 3.63Å; C1215-C1230 WeakPolarHBondContact CB-SG 3.34Å; C1215-C1230 WeakPolarHBondContact SG-CB 3.36Å; C1215-C1230 CovalentContact SG-SG 2.01Å; C1215-C1230 PolarHBondContact SG-SG 3.24Å; C1230-M1238 HydrophobicContact CB-SD 4.08Å; C1230-T1239 CarbonylContact C-O 3.56Å; C1230-T1239 VanDerWaalsContact CA-O 3.27Å; C1230-T1239 WeakPolarHBondContact CA-O 3.41Å; C1230-S1240 PolarHBondContact SG-OG 2.81Å
1231	W	84.8	Confident	74	Confident	57 Å²	57	42.8 Å²	42.8	22%	0.216	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	151.1	173.4	63.9	91.9	0	0	0	110.7	F1156 K1229 T1239 T1241	F1156-W1231 HydrophobicContact CE2-CZ2 4.39Å; K1229-W1231 HydrophobicContact CD-CE3 4.41Å; K1229-W1231 HydrophobicContact CD-CZ3 4.37Å; K1229-W1231 HydrophobicContact CG-CE3 4.34Å; K1229-W1231 HydrophobicContact CG-CZ3 4.45Å; W1231-T1239 HydrophobicContact CH2-CG2 3.96Å; W1231-T1239 HydrophobicContact CZ2-CG2 3.32Å; W1231-T1239 PolarHBondContact N-O 2.93Å; W1231-T1239 PolarHBondContact O-N 3.4Å; W1231-T1241 HydrophobicContact CH2-CG2 3.71Å; W1231-T1241 HydrophobicContact CZ3-CG2 4.22Å; W1231-T1241 WeakPolarHBondContact CZ3-OG1 3.28Å
1232	S	80	Confident	76.6	Confident	60 Å²	60	40 Å²	40	42%	0.42	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.4	162.5	164.1	0	0	0	0	109.5	A1234 V1237	S1232-A1234 PolarHBondContact OG-O 2.86Å; S1232-V1237 WeakPolarHBondContact CA-O 3.35Å; S1232-V1237 WeakPolarHBondContact CB-O 3.05Å; S1232-V1237 PolarHBondContact OG-O 2.94Å
1233	S	71.9	Confident	78.8	Confident	47 Å²	47	33.5 Å²	33.5	33%	0.329	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-26.5	177	43.5	0	0	0	0	112.7	V1237 T1239	S1233-V1237 PolarHBondContact N-O 3.16Å; S1233-V1237 VanDerWaalsContact OG-CG1 3.24Å; S1233-V1237 WeakPolarHBondContact OG-CG1 3.38Å; S1233-T1239 PolarHBondContact OG-OG1 3.22Å
1234	A	72.7	Confident	80.8	Confident	32 Å²	32	31.4 Å²	31.4	26%	0.264	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.4	168.2	0	0	0	0	0	108.5	S1232 G1236 V1237	S1232-A1234 PolarHBondContact OG-O 2.86Å; A1234-G1236 PolarHBondContact O-N 3.38Å; A1234-V1237 HydrophobicContact CB-CB 4.25Å; A1234-V1237 HydrophobicContact CB-CG2 4.04Å; A1234-V1237 PolarHBondContact O-N 2.9Å
1235	P	68.8	Low	81.9	Confident	96 Å²	96	27.5 Å²	27.5	62%	0.623	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	134.9	171.1	-25.4	35.3	0	0	0	111.3	V1237 Y1638	P1235-V1237 PolarHBondContact O-N 3.38Å; P1235-V1237 VanDerWaalsContact O-N 3.17Å; P1235-Y1638 VanDerWaalsContact CD-OH 3.3Å; P1235-Y1638 WeakPolarHBondContact CD-OH 3.46Å; P1235-Y1638 WeakPolarHBondContact CG-OH 3.26Å
1236	G	73.6	Confident	82.2	Confident	19 Å²	19	30.1 Å²	30.1	20%	0.196	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-18	-173.8	0	0	0	0	0	115.7	A1161 A1234	A1161-G1236 PolarHBondContact N-O 3.3Å; A1161-G1236 CarbonylContact O-C 3.56Å; A1161-G1236 WeakPolarHBondContact O-CA 3.43Å; A1234-G1236 PolarHBondContact O-N 3.38Å
1237	V	84.2	Confident	82.2	Confident	17 Å²	17	29.7 Å²	29.7	10%	0.103	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.1	-176.6	-173.8	0	0	0	0	111.3	L1139 Q1158 S1159 E1160 S1232 S1233 A1234 P1235	L1139-V1237 HydrophobicContact CD1-CG1 4.07Å; Q1158-V1237 HydrophobicContact CG-CG1 3.94Å; S1159-V1237 CarbonylContact O-C 3.57Å; S1159-V1237 WeakPolarHBondContact O-CA 3.26Å; S1159-V1237 WeakPolarHBondContact O-CG1 3.34Å; E1160-V1237 HydrophobicContact CB-CG2 4.41Å; E1160-V1237 HydrophobicContact CG-CG2 4.38Å; S1232-V1237 WeakPolarHBondContact CA-O 3.35Å; S1232-V1237 WeakPolarHBondContact CB-O 3.05Å; S1232-V1237 PolarHBondContact OG-O 2.94Å; S1233-V1237 PolarHBondContact N-O 3.16Å; S1233-V1237 VanDerWaalsContact OG-CG1 3.24Å; S1233-V1237 WeakPolarHBondContact OG-CG1 3.38Å; A1234-V1237 HydrophobicContact CB-CB 4.25Å; A1234-V1237 HydrophobicContact CB-CG2 4.04Å; A1234-V1237 PolarHBondContact O-N 2.9Å; P1235-V1237 PolarHBondContact O-N 3.38Å; P1235-V1237 VanDerWaalsContact O-N 3.17Å
1238	M	85.8	Confident	82.1	Confident	15 Å²	15	28.6 Å²	28.6	7%	0.074	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.1	172.9	179.3	54.6	77.8	0	0	110.8	Q1158 S1159 P1165 V1170 C1230 M1259	Q1158-M1238 WeakPolarHBondContact CA-O 3.45Å; S1159-M1238 PolarHBondContact N-O 2.56Å; S1159-M1238 PolarHBondContact O-N 3.01Å; P1165-M1238 HydrophobicContact CB-CB 4.27Å; P1165-M1238 HydrophobicContact CB-CG 4.25Å; P1165-M1238 HydrophobicContact CG-CB 4.25Å; P1165-M1238 WeakPolarHBondContact O-CE 3.37Å; V1170-M1238 HydrophobicContact CG2-CG 4.01Å; C1230-M1238 HydrophobicContact CB-SD 4.08Å; M1238-M1259 HydrophobicContact CG-CE 4.44Å
1239	T	89.7	Confident	81.6	Confident	2 Å²	2	31 Å²	31	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.7	177.6	-45	0	0	0	0	110.3	F1156 Q1158 C1230 W1231 S1233	F1156-T1239 HydrophobicContact CD2-CG2 4.38Å; F1156-T1239 HydrophobicContact CE1-CG2 4.45Å; F1156-T1239 HydrophobicContact CE2-CG2 3.43Å; F1156-T1239 VanDerWaalsContact CE2-CG2 3.43Å; F1156-T1239 HydrophobicContact CZ-CG2 3.47Å; F1156-T1239 VanDerWaalsContact CZ-CG2 3.47Å; Q1158-T1239 HydrophobicContact CB-CG2 4.27Å; Q1158-T1239 HydrophobicContact CG-CG2 4.24Å; C1230-T1239 CarbonylContact C-O 3.56Å; C1230-T1239 VanDerWaalsContact CA-O 3.27Å; C1230-T1239 WeakPolarHBondContact CA-O 3.41Å; W1231-T1239 HydrophobicContact CH2-CG2 3.96Å; W1231-T1239 HydrophobicContact CZ2-CG2 3.32Å; W1231-T1239 PolarHBondContact N-O 2.93Å; W1231-T1239 PolarHBondContact O-N 3.4Å; S1233-T1239 PolarHBondContact OG-OG1 3.22Å
1240	S	89.5	Confident	81.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	143.1	178.1	-172.6	0	0	0	0	112.1	C1157 W1172 K1229 C1230	C1157-S1240 PolarHBondContact N-O 3.41Å; C1157-S1240 PolarHBondContact O-N 2.94Å; C1157-S1240 VanDerWaalsContact O-O 3.12Å; W1172-S1240 PolarHBondContact NE1-OG 3.03Å; K1229-S1240 CarbonylContact O-C 3.57Å; K1229-S1240 VanDerWaalsContact O-CA 3.3Å; K1229-S1240 WeakPolarHBondContact O-CA 3.08Å; K1229-S1240 PolarHBondContact O-OG 2.88Å; C1230-S1240 PolarHBondContact SG-OG 2.81Å
1241	T	90.1	Very high	80.7	Confident	22 Å²	22	32.5 Å²	32.5	14%	0.135	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.8	171.8	48.5	0	0	0	0	111.7	L1155 F1156 A1228 K1229 W1231	L1155-T1241 CarbonylContact O-C 3.34Å; L1155-T1241 WeakPolarHBondContact O-CA 3.42Å; F1156-T1241 HydrophobicContact CB-CG2 4.42Å; F1156-T1241 HydrophobicContact CD2-CG2 3.64Å; F1156-T1241 HydrophobicContact CE2-CG2 4.43Å; F1156-T1241 HydrophobicContact CG-CG2 4.46Å; A1228-T1241 CarbonylContact C-O 3.58Å; A1228-T1241 WeakPolarHBondContact CA-O 3.42Å; K1229-T1241 PolarHBondContact N-O 3.42Å; K1229-T1241 PolarHBondContact O-N 2.86Å; W1231-T1241 HydrophobicContact CH2-CG2 3.71Å; W1231-T1241 HydrophobicContact CZ3-CG2 4.22Å; W1231-T1241 WeakPolarHBondContact CZ3-OG1 3.28Å
1242	L	89.3	Confident	80.6	Confident	1 Å²	1	30 Å²	30	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.5	168.4	171.7	66.6	0	0	0	109.3	L1155 W1172 I1213 A1228 I1244 Y1255	L1155-L1242 HydrophobicContact CB-CB 4.31Å; L1155-L1242 PolarHBondContact N-O 3.47Å; L1155-L1242 PolarHBondContact O-N 2.93Å; W1172-L1242 HydrophobicContact CB-CD2 4.18Å; W1172-L1242 HydrophobicContact CD2-CB 3.67Å; W1172-L1242 HydrophobicContact CD2-CD2 4.16Å; W1172-L1242 HydrophobicContact CE3-CB 3.97Å; W1172-L1242 HydrophobicContact CE3-CD2 3.95Å; W1172-L1242 HydrophobicContact CG-CB 4Å; W1172-L1242 HydrophobicContact CG-CD2 4.29Å; W1172-L1242 HydrophobicContact CH2-CB 4.46Å; W1172-L1242 HydrophobicContact CZ2-CB 4.19Å; W1172-L1242 HydrophobicContact CZ3-CB 4.36Å; I1213-L1242 HydrophobicContact CD1-CD1 4.22Å; A1228-L1242 HydrophobicContact CB-CD1 4.48Å; L1242-I1244 HydrophobicContact CG-CG1 4.39Å; L1242-Y1255 HydrophobicContact CD2-CD1 4.21Å; L1242-Y1255 HydrophobicContact CD2-CE1 4.42Å
1243	T	87.9	Confident	80.5	Confident	12 Å²	12	27.1 Å²	27.1	7%	0.074	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.2	171.5	-53.6	0	0	0	0	109.7	K1152 A1153 E1154 Y1226 Y1227 Y1245	K1152-T1243 HydrophobicContact CG-CG2 4.27Å; A1153-T1243 WeakPolarHBondContact O-CA 3.48Å; E1154-T1243 HydrophobicContact CG-CG2 4.09Å; Y1226-T1243 WeakPolarHBondContact CA-O 3.5Å; Y1227-T1243 PolarHBondContact N-O 2.78Å; Y1227-T1243 PolarHBondContact O-N 2.83Å; T1243-Y1245 HydrophobicContact CG2-CD1 3.82Å; T1243-Y1245 HydrophobicContact CG2-CD2 4.41Å; T1243-Y1245 HydrophobicContact CG2-CE1 3.41Å; T1243-Y1245 VanDerWaalsContact CG2-CE1 3.41Å; T1243-Y1245 HydrophobicContact CG2-CE2 4.04Å; T1243-Y1245 HydrophobicContact CG2-CG 4.37Å
1244	I	86.7	Confident	81	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.1	172.9	-45.7	-175	0	0	0	108.4	K1152 A1153 L1155 K1225 Y1226 L1242 L1247 Y1255 L1273	K1152-I1244 WeakPolarHBondContact CA-O 3.4Å; A1153-I1244 HydrophobicContact CB-CB 4.3Å; A1153-I1244 PolarHBondContact N-O 2.77Å; A1153-I1244 PolarHBondContact O-N 3.12Å; L1155-I1244 HydrophobicContact CD1-CD1 3.89Å; L1155-I1244 HydrophobicContact CD1-CG1 4.02Å; K1225-I1244 WeakPolarHBondContact O-CA 3.41Å; Y1226-I1244 HydrophobicContact CD1-CB 4.42Å; Y1226-I1244 HydrophobicContact CD1-CD1 4.41Å; Y1226-I1244 HydrophobicContact CD1-CG1 4.07Å; Y1226-I1244 HydrophobicContact CD1-CG2 3.91Å; Y1226-I1244 HydrophobicContact CE1-CD1 4.36Å; Y1226-I1244 HydrophobicContact CE1-CG1 4.43Å; Y1226-I1244 HydrophobicContact CE1-CG2 3.8Å; L1242-I1244 HydrophobicContact CG-CG1 4.39Å; I1244-L1247 HydrophobicContact CB-CD1 4.3Å; I1244-L1247 HydrophobicContact CG2-CD1 3.92Å; I1244-Y1255 HydrophobicContact CD1-CE1 4.26Å; I1244-Y1255 HydrophobicContact CD1-CE2 4.49Å; I1244-L1273 HydrophobicContact CD1-CD2 3.72Å
1245	Y	80.6	Confident	81.7	Confident	31 Å²	31	28.6 Å²	28.6	12%	0.122	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.3	-179.5	-55.9	-69.2	0	0	0	111.3	M1 C2 K1152 F1224 K1225 T1243 L1247	M1-Y1245 HydrophobicContact CB-CD1 3.56Å; M1-Y1245 HydrophobicContact CB-CE1 4.4Å; M1-Y1245 HydrophobicContact CB-CG 4.28Å; M1-Y1245 VanDerWaalsContact O-CD1 3.26Å; M1-Y1245 WeakPolarHBondContact O-CD1 3.46Å; M1-Y1245 WeakPolarHBondContact O-CE1 3.25Å; C2-Y1245 VanDerWaalsContact O-CE1 3.26Å; C2-Y1245 WeakPolarHBondContact O-CE1 3.22Å; C2-Y1245 PolarHBondContact O-OH 2.75Å; C2-Y1245 VanDerWaalsContact O-OH 3.12Å; K1152-Y1245 HydrophobicContact CG-CD1 4.13Å; F1224-Y1245 HydrophobicContact CB-CD2 4.49Å; F1224-Y1245 HydrophobicContact CB-CE2 4.3Å; F1224-Y1245 WeakPolarHBondContact O-CD2 3.25Å; K1225-Y1245 VanDerWaalsContact CG-O 3.31Å; K1225-Y1245 WeakPolarHBondContact CG-O 3.32Å; K1225-Y1245 WeakPolarHBondContact O-CD2 3.42Å; K1225-Y1245 PolarHBondContact O-N 3.37Å; T1243-Y1245 HydrophobicContact CG2-CD1 3.82Å; T1243-Y1245 HydrophobicContact CG2-CD2 4.41Å; T1243-Y1245 HydrophobicContact CG2-CE1 3.41Å; T1243-Y1245 VanDerWaalsContact CG2-CE1 3.41Å; T1243-Y1245 HydrophobicContact CG2-CE2 4.04Å; T1243-Y1245 HydrophobicContact CG2-CG 4.37Å; Y1245-L1247 VanDerWaalsContact C-N 3.34Å; Y1245-L1247 PolarHBondContact O-N 2.61Å
1246	D	75.9	Confident	82.6	Confident	83 Å²	83	25.3 Å²	25.3	44%	0.444	14%	0.136	S	C	.	.	S	Bend	trans	51.7	53.1	-178.1	-70.7	-73.3	0	0	0	112.6	K1151	K1151-D1246 IonicContact NZ-OD1 3.84Å; K1151-D1246 WeakPolarHBondContact O-CA 3.11Å; K1151-D1246 PolarHBondContact O-N 2.78Å
1247	L	77.8	Confident	83.3	Confident	7 Å²	7	24.4 Å²	24.4	4%	0.037	13%	0.126	C	C	.	.			trans	-52.1	131.6	-178.5	-162	71.8	0	0	0	112.3	V1148 K1151 A1153 I1244 Y1245 D1251 L1273 Y1275	V1148-L1247 HydrophobicContact CB-CD2 3.84Å; V1148-L1247 HydrophobicContact CG1-CD2 3.76Å; K1151-L1247 PolarHBondContact O-N 2.78Å; A1153-L1247 HydrophobicContact CB-CD1 4.1Å; A1153-L1247 HydrophobicContact CB-CD2 4.31Å; I1244-L1247 HydrophobicContact CB-CD1 4.3Å; I1244-L1247 HydrophobicContact CG2-CD1 3.92Å; Y1245-L1247 VanDerWaalsContact C-N 3.34Å; Y1245-L1247 PolarHBondContact O-N 2.61Å; L1247-D1251 HydrophobicContact CD1-CB 3.9Å; L1247-L1273 HydrophobicContact CD1-CD2 4.15Å; L1247-Y1275 HydrophobicContact CD2-CD2 3.86Å; L1247-Y1275 HydrophobicContact CD2-CG 4.05Å; L1247-Y1275 HydrophobicContact CG-CD2 4.45Å; L1247-Y1275 HydrophobicContact CG-CG 4.39Å
1248	S	77.6	Confident	83.4	Confident	31 Å²	31	24.2 Å²	24.2	22%	0.217	13%	0.125	C	C	.	.			trans	-132.7	167.4	-174.8	77.3	0	0	0	0	112.1	N1250 D1251	S1248-N1250 PolarHBondContact O-N 3.41Å; S1248-N1250 VanDerWaalsContact O-N 3.17Å; S1248-N1250 PolarHBondContact OG-N 3.12Å; S1248-D1251 WeakPolarHBondContact CB-OD2 3.48Å; S1248-D1251 PolarHBondContact N-OD2 2.92Å; S1248-D1251 WeakPolarHBondContact O-CB 3.15Å; S1248-D1251 PolarHBondContact O-N 2.94Å; S1248-D1251 PolarHBondContact OG-OD2 2.84Å
1249	P	75.7	Confident	83.4	Confident	51 Å²	51	23.5 Å²	23.5	33%	0.331	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-53.3	-34.7	172.3	-27.7	37.2	0	0	0	113.4	D1251 V1252 F1277	P1249-D1251 PolarHBondContact O-N 2.99Å; P1249-V1252 PolarHBondContact O-N 3.34Å; P1249-F1277 HydrophobicContact CB-CB 4.12Å; P1249-F1277 HydrophobicContact CB-CD1 3.84Å; P1249-F1277 HydrophobicContact CB-CD2 3.69Å; P1249-F1277 HydrophobicContact CB-CE1 4.17Å; P1249-F1277 HydrophobicContact CB-CE2 4.02Å; P1249-F1277 HydrophobicContact CB-CG 3.62Å; P1249-F1277 HydrophobicContact CB-CZ 4.27Å; P1249-F1277 HydrophobicContact CG-CB 3.67Å; P1249-F1277 HydrophobicContact CG-CD1 4.26Å; P1249-F1277 HydrophobicContact CG-CD2 4.11Å; P1249-F1277 HydrophobicContact CG-CG 3.78Å
1250	N	73.9	Confident	83	Confident	99 Å²	99	26 Å²	26	53%	0.529	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-70.6	-8.9	-179	-69.4	1.2	0	0	0	113.3	R1174 S1248	R1174-N1250 PolarHBondContact NH1-O 2.88Å; R1174-N1250 VanDerWaalsContact NH1-O 3.16Å; R1174-N1250 PolarHBondContact NH2-O 3.08Å; S1248-N1250 PolarHBondContact O-N 3.41Å; S1248-N1250 VanDerWaalsContact O-N 3.17Å; S1248-N1250 PolarHBondContact OG-N 3.12Å
1251	D	79.2	Confident	82.6	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-92	-17.8	176.7	-62.1	-71	0	0	0	113.3	R1174 K1225 Y1226 L1247 S1248 P1249 Y1255	R1174-D1251 PolarHBondContact NH2-O 2.87Å; K1225-D1251 IonicContact NZ-OD1 2.71Å; K1225-D1251 PolarHBondContact NZ-OD1 3.47Å; K1225-D1251 IonicContact NZ-OD2 2.72Å; K1225-D1251 PolarHBondContact NZ-OD2 2.98Å; Y1226-D1251 PolarHBondContact OH-OD1 3.29Å; Y1226-D1251 VanDerWaalsContact OH-OD1 3.06Å; L1247-D1251 HydrophobicContact CD1-CB 3.9Å; S1248-D1251 WeakPolarHBondContact CB-OD2 3.48Å; S1248-D1251 PolarHBondContact N-OD2 2.92Å; S1248-D1251 WeakPolarHBondContact O-CB 3.15Å; S1248-D1251 PolarHBondContact O-N 2.94Å; S1248-D1251 PolarHBondContact OG-OD2 2.84Å; P1249-D1251 PolarHBondContact O-N 2.99Å; D1251-Y1255 PolarHBondContact O-OH 3.38Å; D1251-Y1255 VanDerWaalsContact O-OH 3.08Å
1252	V	81.2	Confident	81.5	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.024	14%	0.144	C	C	.	.			trans	-61.6	138.3	-176.8	174.5	0	0	0	0	111.9	R1174 P1249 L1273 F1277 R1362 P1363	R1174-V1252 PolarHBondContact NH2-O 2.87Å; P1249-V1252 PolarHBondContact O-N 3.34Å; V1252-L1273 WeakPolarHBondContact CG1-O 3.37Å; V1252-F1277 HydrophobicContact CB-CE1 4.48Å; V1252-F1277 HydrophobicContact CG2-CE1 4.1Å; V1252-R1362 PolarHBondContact O-NH1 2.96Å; V1252-P1363 HydrophobicContact CG1-CB 4.46Å
1253	G	77.8	Confident	80.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.9	-164.7	177.6	0	0	0	0	0	114.9	L1273	G1253-L1273 PolarHBondContact N-O 3.19Å; G1253-L1273 PolarHBondContact O-N 2.81Å
1254	R	82.5	Confident	79.3	Confident	109 Å²	109	29 Å²	29	41%	0.411	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.6	-173.4	-169.6	165.9	-72.5	162.9	-0.1	112.1	R1174 L1175 I1271 D1272	R1174-R1254 VanDerWaalsContact CG-O 3.3Å; R1174-R1254 WeakPolarHBondContact CG-O 3.13Å; L1175-R1254 HydrophobicContact CB-CB 4Å; L1175-R1254 HydrophobicContact CB-CG 3.93Å; L1175-R1254 HydrophobicContact CD1-CG 3.81Å; L1175-R1254 HydrophobicContact CG-CG 4.49Å; L1175-R1254 PolarHBondContact N-O 3.39Å; R1254-I1271 CarbonylContact C-O 3.55Å; R1254-I1271 WeakPolarHBondContact CA-O 3.3Å; R1254-D1272 WeakPolarHBondContact CA-OD1 3.22Å; R1254-D1272 WeakPolarHBondContact CB-OD1 3.12Å; R1254-D1272 WeakPolarHBondContact CG-OD1 3.29Å; R1254-D1272 IonicContact CZ-OD1 2.82Å; R1254-D1272 IonicContact CZ-OD2 2.77Å; R1254-D1272 IonicContact NE-OD1 3.26Å; R1254-D1272 PolarHBondContact NE-OD1 2.84Å; R1254-D1272 IonicContact NE-OD2 3.14Å; R1254-D1272 PolarHBondContact NE-OD2 3Å; R1254-D1272 IonicContact NH2-OD1 2.74Å; R1254-D1272 PolarHBondContact NH2-OD1 2.8Å; R1254-D1272 IonicContact NH2-OD2 3.42Å; R1254-D1272 PolarHBondContact NH2-OD2 2.84Å
1255	Y	87.3	Confident	78.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	159	176	-71	-97.5	0	0	0	111	L1155 R1173 R1174 L1242 I1244 D1251 T1270 I1271 L1273	L1155-Y1255 HydrophobicContact CD2-CD2 4.13Å; L1155-Y1255 HydrophobicContact CD2-CG 3.95Å; R1173-Y1255 CarbonylContact O-C 3.35Å; R1174-Y1255 HydrophobicContact CB-CD1 4.12Å; R1174-Y1255 HydrophobicContact CB-CE1 4Å; R1174-Y1255 HydrophobicContact CG-CD1 4.07Å; R1174-Y1255 HydrophobicContact CG-CD2 4.48Å; R1174-Y1255 HydrophobicContact CG-CE1 3.8Å; R1174-Y1255 HydrophobicContact CG-CE2 4.21Å; R1174-Y1255 HydrophobicContact CG-CG 4.4Å; L1242-Y1255 HydrophobicContact CD2-CD1 4.21Å; L1242-Y1255 HydrophobicContact CD2-CE1 4.42Å; I1244-Y1255 HydrophobicContact CD1-CE1 4.26Å; I1244-Y1255 HydrophobicContact CD1-CE2 4.49Å; D1251-Y1255 PolarHBondContact O-OH 3.38Å; D1251-Y1255 VanDerWaalsContact O-OH 3.08Å; Y1255-T1270 CarbonylContact O-C 3.32Å; Y1255-T1270 VanDerWaalsContact O-CA 3.3Å; Y1255-T1270 WeakPolarHBondContact O-CA 3.46Å; Y1255-I1271 PolarHBondContact N-O 2.87Å; Y1255-I1271 PolarHBondContact O-N 3.45Å; Y1255-L1273 HydrophobicContact CD2-CB 4.19Å; Y1255-L1273 HydrophobicContact CD2-CD2 4.47Å; Y1255-L1273 HydrophobicContact CE2-CB 4.08Å; Y1255-L1273 HydrophobicContact CE2-CD2 3.75Å
1256	Q	88.1	Confident	78.3	Confident	28 Å²	28	34.8 Å²	34.8	13%	0.131	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	126	176.8	-177.7	173.3	88	0	0	111.1	R1173 L1175 V1268 R1269	R1173-Q1256 HydrophobicContact CG-CB 4.13Å; R1173-Q1256 VanDerWaalsContact CZ-OE1 3.25Å; R1173-Q1256 PolarHBondContact N-O 3.17Å; R1173-Q1256 PolarHBondContact O-N 2.9Å; L1175-Q1256 HydrophobicContact CD1-CB 3.85Å; L1175-Q1256 HydrophobicContact CG-CB 3.98Å; Q1256-V1268 VanDerWaalsContact CD-CG1 3.42Å; Q1256-V1268 HydrophobicContact CG-CG1 3.57Å; Q1256-V1268 VanDerWaalsContact NE2-CG1 3.31Å; Q1256-R1269 CarbonylContact C-O 3.49Å; Q1256-R1269 VanDerWaalsContact CA-O 3.27Å; Q1256-R1269 WeakPolarHBondContact CA-O 3.24Å
1257	C	88.8	Confident	78.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.4	162.4	169.8	0	0	0	0	108.7	C1157 W1172 V1268 R1269	C1157-C1257 HydrophobicContact CB-CB 3.64Å; C1157-C1257 WeakPolarHBondContact CB-SG 3.17Å; C1157-C1257 WeakPolarHBondContact SG-CB 3.15Å; C1157-C1257 CovalentContact SG-SG 2.04Å; C1157-C1257 PolarHBondContact SG-SG 2.94Å; W1172-C1257 HydrophobicContact CD2-CB 4.14Å; W1172-C1257 HydrophobicContact CE3-CB 3.98Å; W1172-C1257 HydrophobicContact CH2-CB 3.98Å; W1172-C1257 HydrophobicContact CZ2-CB 4.12Å; W1172-C1257 HydrophobicContact CZ3-CB 3.9Å; C1257-V1268 WeakPolarHBondContact O-CA 3.16Å; C1257-R1269 HydrophobicContact CB-CB 4.34Å; C1257-R1269 PolarHBondContact N-O 3.42Å; C1257-R1269 PolarHBondContact O-N 3.49Å
1258	N	86.2	Confident	78.7	Confident	12 Å²	12	33.3 Å²	33.3	6%	0.064	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.6	170.4	175	-51.6	0	0	0	108.3	V1170 R1171 A1267 V1268	V1170-N1258 WeakPolarHBondContact CA-O 3.43Å; R1171-N1258 HydrophobicContact CG-CB 3.97Å; R1171-N1258 PolarHBondContact N-O 3.18Å; R1171-N1258 PolarHBondContact O-N 3.39Å; N1258-A1267 CarbonylContact C-O 3.58Å; N1258-A1267 WeakPolarHBondContact CA-O 3.16Å; N1258-V1268 HydrophobicContact CB-CG2 4.29Å
1259	M	86.1	Confident	79.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.8	179.4	-64.1	180	155.3	0	0	109.4	P1136 C1157 S1159 P1165 V1170 M1238 P1266 A1267	P1136-M1259 WeakPolarHBondContact CG-O 3.28Å; C1157-M1259 HydrophobicContact CB-CE 4.04Å; S1159-M1259 PolarHBondContact OG-SD 2.93Å; P1165-M1259 HydrophobicContact CG-CB 4.22Å; V1170-M1259 HydrophobicContact CB-CG 4.36Å; V1170-M1259 HydrophobicContact CG1-CE 3.95Å; V1170-M1259 HydrophobicContact CG1-CG 3.85Å; V1170-M1259 HydrophobicContact CG2-CB 4.22Å; V1170-M1259 HydrophobicContact CG2-CE 4.42Å; V1170-M1259 HydrophobicContact CG2-CG 3.86Å; M1238-M1259 HydrophobicContact CG-CE 4.44Å; M1259-P1266 CarbonylContact O-C 3.53Å; M1259-P1266 WeakPolarHBondContact O-CA 2.9Å; M1259-A1267 HydrophobicContact CB-CB 4.38Å; M1259-A1267 PolarHBondContact N-O 2.89Å; M1259-A1267 PolarHBondContact O-N 3.09Å
1260	D	80.9	Confident	79.7	Confident	55 Å²	55	32.5 Å²	32.5	29%	0.294	19%	0.194	S	C	.	.			trans	-127.1	147.8	-177.1	-158.8	-27	0	0	0	110.5	P1165 A1169 G1262 P1266	P1165-D1260 WeakPolarHBondContact CA-O 2.98Å; P1165-D1260 VanDerWaalsContact CB-O 3.22Å; P1165-D1260 WeakPolarHBondContact CB-O 3.31Å; A1169-D1260 HydrophobicContact CB-CB 4.49Å; A1169-D1260 WeakPolarHBondContact CB-O 3.45Å; A1169-D1260 PolarHBondContact O-N 2.04Å; D1260-G1262 PolarHBondContact OD1-N 2.76Å; D1260-P1266 HydrophobicContact CB-CB 4.1Å
1261	N	81.4	Confident	80.4	Confident	12 Å²	12	28 Å²	28	6%	0.064	17%	0.17	C	C	.	.			trans	-127.7	6.6	173.2	70.8	-16.7	0	0	0	113.1	Y1134 P1136 A1161 P1163 P1165 I1263	Y1134-N1261 PolarHBondContact O-ND2 2.8Å; P1136-N1261 WeakPolarHBondContact CD-OD1 3.38Å; A1161-N1261 WeakPolarHBondContact CB-ND2 3.41Å; P1163-N1261 WeakPolarHBondContact O-CB 3.08Å; P1163-N1261 PolarHBondContact O-ND2 2.86Å; P1165-N1261 HydrophobicContact CG-CB 4.31Å; N1261-I1263 VanDerWaalsContact C-N 3.3Å; N1261-I1263 WeakPolarHBondContact OD1-CA 3.33Å; N1261-I1263 VanDerWaalsContact OD1-CB 3.25Å; N1261-I1263 WeakPolarHBondContact OD1-CB 3.43Å; N1261-I1263 PolarHBondContact OD1-N 2.72Å; N1261-I1263 PolarHBondContact OD1-O 2.93Å
1262	G	67.2	Low	80.7	Confident	26 Å²	26	29 Å²	29	27%	0.268	18%	0.175	S	C	.	.	S	Bend	trans	80.9	7.3	-170.9	0	0	0	0	0	113.7	D1260 M1514	D1260-G1262 PolarHBondContact OD1-N 2.76Å; G1262-M1514 VanDerWaalsContact O-CG 3.31Å; G1262-M1514 WeakPolarHBondContact O-CG 3.4Å
1263	I	65.5	Low	81	Confident	18 Å²	18	28.9 Å²	28.9	9%	0.092	17%	0.174	C	C	.	.	S	Bend	trans	-129	124.8	-173.2	-50.1	-162.8	0	0	0	110.9	T1133 G1135 P1136 N1261 M1514	T1133-I1263 HydrophobicContact CG2-CD1 4.26Å; G1135-I1263 WeakPolarHBondContact CA-O 3.24Å; P1136-I1263 WeakPolarHBondContact CD-O 3.2Å; N1261-I1263 VanDerWaalsContact C-N 3.3Å; N1261-I1263 WeakPolarHBondContact OD1-CA 3.33Å; N1261-I1263 VanDerWaalsContact OD1-CB 3.25Å; N1261-I1263 WeakPolarHBondContact OD1-CB 3.43Å; N1261-I1263 PolarHBondContact OD1-N 2.72Å; N1261-I1263 PolarHBondContact OD1-O 2.93Å; I1263-M1514 HydrophobicContact CB-CG 3.98Å; I1263-M1514 HydrophobicContact CB-SD 4.12Å; I1263-M1514 HydrophobicContact CG1-CG 4.03Å; I1263-M1514 HydrophobicContact CG2-CE 3.64Å; I1263-M1514 HydrophobicContact CG2-CG 3.88Å; I1263-M1514 HydrophobicContact CG2-SD 3.58Å; I1263-M1514 VanDerWaalsContact CG2-SD 3.58Å
1264	G	65.1	Low	81.3	Confident	42 Å²	42	30 Å²	30	43%	0.433	18%	0.181	S	C	.	.	S	Bend	trans	69.9	-147.1	178.5	0	0	0	0	0	113.2	M1514	G1264-M1514 PolarHBondContact N-SD 3.15Å
1265	S	71.1	Confident	81.4	Confident	100 Å²	100	27.4 Å²	27.4	70%	0.699	17%	0.171	S	C	*	.	S	Bend	trans	-94	138.8	172.1	-61.7	0	0	0	0	110.1
1266	P	75.4	Confident	81.3	Confident	52 Å²	52	30.6 Å²	30.6	34%	0.338	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-65.9	144.8	179.3	26.5	-34.8	0	0	0	112.2	M1259 D1260	M1259-P1266 CarbonylContact O-C 3.53Å; M1259-P1266 WeakPolarHBondContact O-CA 2.9Å; D1260-P1266 HydrophobicContact CB-CB 4.1Å
1267	A	78.4	Confident	81.3	Confident	7 Å²	7	30.3 Å²	30.3	6%	0.058	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	127.2	177.4	0	0	0	0	0	110	P1136 L1138 N1258 M1259	P1136-A1267 HydrophobicContact CB-CB 3.84Å; P1136-A1267 HydrophobicContact CG-CB 4.12Å; L1138-A1267 HydrophobicContact CB-CB 4.34Å; N1258-A1267 CarbonylContact C-O 3.58Å; N1258-A1267 WeakPolarHBondContact CA-O 3.16Å; M1259-A1267 HydrophobicContact CB-CB 4.38Å; M1259-A1267 PolarHBondContact N-O 2.89Å; M1259-A1267 PolarHBondContact O-N 3.09Å
1268	V	83.7	Confident	81.2	Confident	53 Å²	53	32.1 Å²	32.1	32%	0.321	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.4	-172.6	179.6	0	0	0	0	111	Q1256 C1257 N1258	Q1256-V1268 VanDerWaalsContact CD-CG1 3.42Å; Q1256-V1268 HydrophobicContact CG-CG1 3.57Å; Q1256-V1268 VanDerWaalsContact NE2-CG1 3.31Å; C1257-V1268 WeakPolarHBondContact O-CA 3.16Å; N1258-V1268 HydrophobicContact CB-CG2 4.29Å
1269	R	87.6	Confident	81.4	Confident	26 Å²	26	32 Å²	32	10%	0.098	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.6	177.7	-167.3	176.4	-166.6	145.5	0.1	110.7	L1138 L1139 S1141 Q1256 C1257	L1138-R1269 HydrophobicContact CD1-CB 3.88Å; L1138-R1269 HydrophobicContact CD1-CG 4.49Å; L1138-R1269 HydrophobicContact CD2-CB 3.96Å; L1138-R1269 HydrophobicContact CD2-CG 4.11Å; L1139-R1269 PolarHBondContact O-NH1 3.31Å; S1141-R1269 VanDerWaalsContact O-CZ 3.24Å; S1141-R1269 PolarHBondContact O-NE 3.43Å; S1141-R1269 PolarHBondContact O-NH2 3.48Å; Q1256-R1269 CarbonylContact C-O 3.49Å; Q1256-R1269 VanDerWaalsContact CA-O 3.27Å; Q1256-R1269 WeakPolarHBondContact CA-O 3.24Å; C1257-R1269 HydrophobicContact CB-CB 4.34Å; C1257-R1269 PolarHBondContact N-O 3.42Å; C1257-R1269 PolarHBondContact O-N 3.49Å
1270	T	85.8	Confident	81.7	Confident	39 Å²	39	36.4 Å²	36.4	24%	0.239	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.9	178.8	56.5	0	0	0	0	111.6	P1142 S1143 V1144 L1175 Y1255	P1142-T1270 PolarHBondContact O-N 3.34Å; P1142-T1270 PolarHBondContact O-OG1 2.95Å; S1143-T1270 CarbonylContact C-O 3.27Å; S1143-T1270 WeakPolarHBondContact CA-O 3.3Å; V1144-T1270 PolarHBondContact N-O 2.98Å; V1144-T1270 VanDerWaalsContact N-O 3.11Å; L1175-T1270 HydrophobicContact CD1-CG2 4.03Å; Y1255-T1270 CarbonylContact O-C 3.32Å; Y1255-T1270 VanDerWaalsContact O-CA 3.3Å; Y1255-T1270 WeakPolarHBondContact O-CA 3.46Å
1271	I	88.7	Confident	82.1	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	125	-177.5	-54.3	-177.5	0	0	0	109.9	V1144 L1146 L1155 W1172 R1254 Y1255	V1144-I1271 HydrophobicContact CB-CG1 4.28Å; V1144-I1271 HydrophobicContact CB-CG2 4.45Å; V1144-I1271 CarbonylContact O-C 3.44Å; V1144-I1271 VanDerWaalsContact O-CA 3.25Å; V1144-I1271 WeakPolarHBondContact O-CA 3.15Å; L1146-I1271 HydrophobicContact CB-CG2 4.33Å; L1155-I1271 HydrophobicContact CB-CD1 3.98Å; L1155-I1271 HydrophobicContact CD2-CB 4.17Å; L1155-I1271 HydrophobicContact CD2-CD1 4.3Å; L1155-I1271 HydrophobicContact CD2-CG2 3.96Å; L1155-I1271 HydrophobicContact CG-CD1 4.47Å; L1155-I1271 HydrophobicContact CG-CG2 4.35Å; W1172-I1271 HydrophobicContact CH2-CD1 4Å; W1172-I1271 HydrophobicContact CZ3-CD1 3.98Å; R1254-I1271 CarbonylContact C-O 3.55Å; R1254-I1271 WeakPolarHBondContact CA-O 3.3Å; Y1255-I1271 PolarHBondContact N-O 2.87Å; Y1255-I1271 PolarHBondContact O-N 3.45Å
1272	D	86.1	Confident	82.1	Confident	22 Å²	22	34.9 Å²	34.9	12%	0.118	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.1	175	-82.1	-17.1	0	0	0	110.7	V1144 N1145 L1146 R1254 P1363	V1144-D1272 PolarHBondContact O-N 2.86Å; N1145-D1272 CarbonylContact C-O 3.52Å; N1145-D1272 WeakPolarHBondContact CA-O 2.9Å; L1146-D1272 PolarHBondContact N-O 2.89Å; R1254-D1272 WeakPolarHBondContact CA-OD1 3.22Å; R1254-D1272 WeakPolarHBondContact CB-OD1 3.12Å; R1254-D1272 WeakPolarHBondContact CG-OD1 3.29Å; R1254-D1272 IonicContact CZ-OD1 2.82Å; R1254-D1272 IonicContact CZ-OD2 2.77Å; R1254-D1272 IonicContact NE-OD1 3.26Å; R1254-D1272 PolarHBondContact NE-OD1 2.84Å; R1254-D1272 IonicContact NE-OD2 3.14Å; R1254-D1272 PolarHBondContact NE-OD2 3Å; R1254-D1272 IonicContact NH2-OD1 2.74Å; R1254-D1272 PolarHBondContact NH2-OD1 2.8Å; R1254-D1272 IonicContact NH2-OD2 3.42Å; R1254-D1272 PolarHBondContact NH2-OD2 2.84Å; D1272-P1363 HydrophobicContact CB-CG 3.89Å
1273	L	87.8	Confident	82.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.6	-176.4	176	64.7	0	0	0	111.3	L1146 V1148 A1153 I1244 L1247 V1252 G1253 Y1255	L1146-L1273 HydrophobicContact CD2-CD1 4.09Å; L1146-L1273 HydrophobicContact CG-CD1 4.15Å; L1146-L1273 WeakPolarHBondContact O-CA 3.03Å; V1148-L1273 HydrophobicContact CG2-CD1 3.86Å; A1153-L1273 HydrophobicContact CB-CD1 3.98Å; I1244-L1273 HydrophobicContact CD1-CD2 3.72Å; L1247-L1273 HydrophobicContact CD1-CD2 4.15Å; V1252-L1273 WeakPolarHBondContact CG1-O 3.37Å; G1253-L1273 PolarHBondContact N-O 3.19Å; G1253-L1273 PolarHBondContact O-N 2.81Å; Y1255-L1273 HydrophobicContact CD2-CB 4.19Å; Y1255-L1273 HydrophobicContact CD2-CD2 4.47Å; Y1255-L1273 HydrophobicContact CE2-CB 4.08Å; Y1255-L1273 HydrophobicContact CE2-CD2 3.75Å
1274	T	84.4	Confident	83.2	Confident	23 Å²	23	37.6 Å²	37.6	14%	0.141	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145	177.8	51.7	0	0	0	0	113.1	L1146 T1147 V1148 P1363	L1146-T1274 PolarHBondContact O-N 2.81Å; T1147-T1274 VanDerWaalsContact CA-OG1 3.31Å; T1147-T1274 WeakPolarHBondContact CA-OG1 3.15Å; T1147-T1274 PolarHBondContact OG1-OG1 3Å; V1148-T1274 PolarHBondContact N-O 3.3Å; T1274-P1363 HydrophobicContact CG2-CB 3.78Å
1275	Y	83.6	Confident	83.9	Confident	55 Å²	55	41 Å²	41	22%	0.216	24%	0.24	C	C	.	.			trans	-151.2	131.2	-179.6	169	-103.6	0	0	0	108.2	L1247 F1277 E1332	L1247-Y1275 HydrophobicContact CD2-CD2 3.86Å; L1247-Y1275 HydrophobicContact CD2-CG 4.05Å; L1247-Y1275 HydrophobicContact CG-CD2 4.45Å; L1247-Y1275 HydrophobicContact CG-CG 4.39Å; Y1275-F1277 VanDerWaalsContact O-CD1 3.31Å; Y1275-F1277 WeakPolarHBondContact O-CD1 3.26Å; Y1275-E1332 WeakPolarHBondContact O-CB 3.17Å; Y1275-E1332 WeakPolarHBondContact O-CG 3.04Å
1276	P	85.7	Confident	84.5	Confident	67 Å²	67	36.7 Å²	36.7	44%	0.435	21%	0.209	S	C	.	.			trans	-74	138.6	-173.2	-19.9	33.7	0	0	0	115.4	E1332	P1276-E1332 CarbonylContact C-O 3.58Å; P1276-E1332 VanDerWaalsContact CA-O 3.23Å; P1276-E1332 WeakPolarHBondContact CA-O 3.03Å
1277	F	86.9	Confident	85.1	Confident	23 Å²	23	35 Å²	35	10%	0.101	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	159.5	174.7	65.1	-80.5	0	0	0	113.6	P1249 V1252 Y1275 A1330 E1332 N1389	P1249-F1277 HydrophobicContact CB-CB 4.12Å; P1249-F1277 HydrophobicContact CB-CD1 3.84Å; P1249-F1277 HydrophobicContact CB-CD2 3.69Å; P1249-F1277 HydrophobicContact CB-CE1 4.17Å; P1249-F1277 HydrophobicContact CB-CE2 4.02Å; P1249-F1277 HydrophobicContact CB-CG 3.62Å; P1249-F1277 HydrophobicContact CB-CZ 4.27Å; P1249-F1277 HydrophobicContact CG-CB 3.67Å; P1249-F1277 HydrophobicContact CG-CD1 4.26Å; P1249-F1277 HydrophobicContact CG-CD2 4.11Å; P1249-F1277 HydrophobicContact CG-CG 3.78Å; V1252-F1277 HydrophobicContact CB-CE1 4.48Å; V1252-F1277 HydrophobicContact CG2-CE1 4.1Å; Y1275-F1277 VanDerWaalsContact O-CD1 3.31Å; Y1275-F1277 WeakPolarHBondContact O-CD1 3.26Å; F1277-A1330 VanDerWaalsContact CE2-C 3.48Å; F1277-A1330 HydrophobicContact CE2-CB 3.98Å; F1277-A1330 WeakPolarHBondContact CE2-O 3.34Å; F1277-A1330 HydrophobicContact CZ-CB 4.18Å; F1277-E1332 HydrophobicContact CD1-CB 3.71Å; F1277-E1332 HydrophobicContact CE1-CB 3.56Å; F1277-E1332 HydrophobicContact CZ-CB 4.43Å; F1277-E1332 PolarHBondContact N-O 2.85Å; F1277-E1332 PolarHBondContact O-N 2.84Å; F1277-N1389 PolarHBondContact O-ND2 2.97Å
1278	A	88.3	Confident	85.5	Confident	37 Å²	37	37.1 Å²	37.1	31%	0.306	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	156.6	176.9	0	0	0	0	0	112.4	V1391	A1278-V1391 HydrophobicContact CB-CB 4.14Å; A1278-V1391 HydrophobicContact CB-CG1 4.08Å
1279	P	90.6	Very high	85.8	Confident	10 Å²	10	38.4 Å²	38.4	7%	0.065	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	140.2	179.4	-17.7	33.4	0	0	0	111.4	I1329 A1330 A1331 A1387 N1389 G1392 D1394	P1279-I1329 HydrophobicContact CB-CG2 4.07Å; P1279-A1330 CarbonylContact C-O 3.47Å; P1279-A1330 WeakPolarHBondContact CA-O 3.47Å; P1279-A1331 HydrophobicContact CB-CB 4.11Å; P1279-A1331 HydrophobicContact CG-CB 4.29Å; P1279-A1387 HydrophobicContact CB-CB 4.06Å; P1279-N1389 WeakPolarHBondContact CD-OD1 3.04Å; P1279-N1389 HydrophobicContact CG-CB 4.12Å; P1279-G1392 WeakPolarHBondContact CD-O 3.4Å; P1279-D1394 WeakPolarHBondContact O-CB 3.36Å
1280	R	90.6	Very high	85.9	Confident	93 Å²	93	37.3 Å²	37.3	35%	0.351	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.1	169.1	-178.6	-176	-173.1	-167.1	2.5	107.5	E1186 A1330 D1394	E1186-R1280 IonicContact OE1-CZ 3.26Å; E1186-R1280 VanDerWaalsContact OE1-CZ 3.26Å; E1186-R1280 IonicContact OE1-NH1 2.79Å; E1186-R1280 PolarHBondContact OE1-NH1 2.86Å; E1186-R1280 IonicContact OE1-NH2 2.81Å; E1186-R1280 PolarHBondContact OE1-NH2 3.27Å; R1280-A1330 PolarHBondContact N-O 3.39Å; R1280-A1330 PolarHBondContact O-N 2.9Å; R1280-D1394 WeakPolarHBondContact CA-OD2 3.43Å
1281	I	89.6	Confident	86	Confident	19 Å²	19	35.8 Å²	35.8	10%	0.097	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134	175.6	-69.1	166.1	0	0	0	108.8	P1283 V1328 I1329 C1385 A1387 D1394 G1396	I1281-P1283 WeakPolarHBondContact O-CD 3.2Å; I1281-V1328 WeakPolarHBondContact CA-O 3.26Å; I1281-I1329 HydrophobicContact CG1-CG1 4.11Å; I1281-C1385 WeakPolarHBondContact CD1-O 3.25Å; I1281-A1387 HydrophobicContact CD1-CB 4.15Å; I1281-A1387 HydrophobicContact CG1-CB 4.37Å; I1281-D1394 HydrophobicContact CD1-CB 4.46Å; I1281-D1394 PolarHBondContact N-OD2 2.9Å; I1281-G1396 VanDerWaalsContact CD1-N 3.3Å
1282	V	82	Confident	85.8	Confident	15 Å²	15	36.2 Å²	36.2	9%	0.091	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	101.2	-168	174.6	0	0	0	0	107.4	L1179 Y1182 V1284 V1328 A1330 L1365	L1179-V1282 HydrophobicContact CD2-CG1 3.74Å; Y1182-V1282 HydrophobicContact CD2-CG1 3.69Å; Y1182-V1282 HydrophobicContact CE2-CB 4.08Å; Y1182-V1282 HydrophobicContact CE2-CG1 3.34Å; V1282-V1284 HydrophobicContact CG1-CG2 3.94Å; V1282-V1284 PolarHBondContact O-N 2.81Å; V1282-V1328 HydrophobicContact CB-CB 3.89Å; V1282-V1328 HydrophobicContact CB-CG1 3.76Å; V1282-V1328 HydrophobicContact CG1-CB 4.39Å; V1282-V1328 HydrophobicContact CG1-CG1 4.08Å; V1282-V1328 HydrophobicContact CG2-CG1 4.19Å; V1282-V1328 PolarHBondContact N-O 2.91Å; V1282-A1330 HydrophobicContact CG2-CB 4.04Å; V1282-L1365 HydrophobicContact CG2-CD1 4.46Å
1283	P	79.6	Confident	85.2	Confident	84 Å²	84	37.5 Å²	37.5	55%	0.545	21%	0.207	S	C	.	.			trans	-59.4	106.4	172.7	20.6	-34.1	0	0	0	112	Y1182 I1281	Y1182-P1283 HydrophobicContact CE2-CG 3.94Å; Y1182-P1283 WeakPolarHBondContact OH-CD 3.45Å; I1281-P1283 WeakPolarHBondContact O-CD 3.2Å
1284	V	76.4	Confident	84	Confident	18 Å²	18	41.8 Å²	41.8	11%	0.109	23%	0.229	C	C	.	.			trans	-112.1	125.8	172.4	179.4	0	0	0	0	108.9	L1179 V1282 R1286 W1287 S1288 V1328 E1463	L1179-V1284 HydrophobicContact CD2-CG2 4.06Å; V1282-V1284 HydrophobicContact CG1-CG2 3.94Å; V1282-V1284 PolarHBondContact O-N 2.81Å; V1284-R1286 VanDerWaalsContact C-N 3.31Å; V1284-R1286 HydrophobicContact CG1-CB 4.33Å; V1284-R1286 PolarHBondContact O-N 3.01Å; V1284-W1287 HydrophobicContact CB-CE3 3.8Å; V1284-W1287 HydrophobicContact CB-CZ3 4.46Å; V1284-W1287 HydrophobicContact CG1-CD2 4.28Å; V1284-W1287 HydrophobicContact CG1-CE3 3.64Å; V1284-W1287 HydrophobicContact CG1-CZ3 4.13Å; V1284-W1287 HydrophobicContact CG2-CE3 4.13Å; V1284-W1287 HydrophobicContact CG2-CZ3 4.41Å; V1284-W1287 PolarHBondContact O-N 3.32Å; V1284-S1288 PolarHBondContact O-N 3.36Å; V1284-V1328 HydrophobicContact CG2-CB 4.44Å; V1284-V1328 HydrophobicContact CG2-CG2 3.97Å; V1284-E1463 HydrophobicContact CG1-CG 4.42Å
1285	T	78.9	Confident	82.3	Confident	112 Å²	112	45.1 Å²	45.1	69%	0.687	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-30	-172.3	49.6	0	0	0	0	114.2	W1287 S1288	T1285-W1287 PolarHBondContact O-N 2.9Å; T1285-S1288 PolarHBondContact O-OG 2.88Å
1286	R	84.9	Confident	80.3	Confident	10 Å²	10	47.4 Å²	47.4	4%	0.038	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.7	173.3	-178.6	173.7	-174	-152.7	5.1	113.1	V1284 Q1428 G1429 E1458 D1459 N1462	V1284-R1286 VanDerWaalsContact C-N 3.31Å; V1284-R1286 HydrophobicContact CG1-CB 4.33Å; V1284-R1286 PolarHBondContact O-N 3.01Å; R1286-Q1428 VanDerWaalsContact NH1-NE2 3.18Å; R1286-G1429 WeakPolarHBondContact CD-O 3.34Å; R1286-G1429 WeakPolarHBondContact CG-O 3.46Å; R1286-G1429 PolarHBondContact NE-O 2.82Å; R1286-E1458 IonicContact CZ-OE2 3.47Å; R1286-E1458 IonicContact NH2-OE2 3.54Å; R1286-E1458 PolarHBondContact NH2-OE2 3.3Å; R1286-D1459 PolarHBondContact NH1-O 2.81Å; R1286-D1459 PolarHBondContact NH2-O 3.35Å; R1286-N1462 PolarHBondContact NH1-O 2.82Å
1287	W	87.3	Confident	77.6	Confident	17 Å²	17	51.5 Å²	51.5	6%	0.064	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-5.4	-167.9	-63.9	-39.8	0	0	0	114.7	V1284 T1285 R1289 T1326 V1328 H1367 V1398 E1463	V1284-W1287 HydrophobicContact CB-CE3 3.8Å; V1284-W1287 HydrophobicContact CB-CZ3 4.46Å; V1284-W1287 HydrophobicContact CG1-CD2 4.28Å; V1284-W1287 HydrophobicContact CG1-CE3 3.64Å; V1284-W1287 HydrophobicContact CG1-CZ3 4.13Å; V1284-W1287 HydrophobicContact CG2-CE3 4.13Å; V1284-W1287 HydrophobicContact CG2-CZ3 4.41Å; V1284-W1287 PolarHBondContact O-N 3.32Å; T1285-W1287 PolarHBondContact O-N 2.9Å; W1287-R1289 PolarHBondContact O-N 3Å; W1287-T1326 HydrophobicContact CD2-CG2 4.15Å; W1287-T1326 HydrophobicContact CG-CG2 4.14Å; W1287-V1328 HydrophobicContact CD2-CG2 4.45Å; W1287-V1328 HydrophobicContact CE3-CG2 3.28Å; W1287-V1328 HydrophobicContact CZ3-CG2 3.36Å; W1287-H1367 AromaticContact CH2-CE1 3.71Å; W1287-H1367 AromaticContact CH2-NE2 3.03Å; W1287-H1367 WeakPolarHBondContact CH2-NE2 3.39Å; W1287-H1367 AromaticContact CZ2-NE2 3.66Å; W1287-H1367 AromaticContact CZ3-NE2 3.31Å; W1287-H1367 VanDerWaalsContact CZ3-NE2 3.31Å; W1287-H1367 WeakPolarHBondContact CZ3-NE2 3.48Å; W1287-V1398 WeakPolarHBondContact O-CG1 2.95Å; W1287-E1463 HydrophobicContact CE3-CG 4.47Å; W1287-E1463 HydrophobicContact CH2-CG 3.33Å; W1287-E1463 HydrophobicContact CZ2-CG 4.15Å; W1287-E1463 HydrophobicContact CZ3-CG 3.52Å; W1287-E1463 WeakPolarHBondContact CZ3-OE1 3.15Å
1288	S	86	Confident	75	Confident	52 Å²	52	59.9 Å²	59.9	36%	0.364	33%	0.328	S	S	.	.	S	Bend	trans	-66.3	-10.4	166.1	61.7	0	0	0	0	113.6	V1284 T1285 V1398 D1399	V1284-S1288 PolarHBondContact O-N 3.36Å; T1285-S1288 PolarHBondContact O-OG 2.88Å; S1288-V1398 WeakPolarHBondContact O-CA 3.42Å; S1288-D1399 PolarHBondContact O-N 2.8Å
1289	R	91	Very high	72.2	Confident	80 Å²	80	65.3 Å²	65.3	30%	0.302	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	148.2	176.6	-64.8	-178	-69.3	163.3	-0.8	111	W1287 D1399 I1401 D1407 F1430	W1287-R1289 PolarHBondContact O-N 3Å; R1289-D1399 CarbonylContact C-O 3.56Å; R1289-D1399 WeakPolarHBondContact CA-O 3.17Å; R1289-I1401 HydrophobicContact CB-CD1 4.48Å; R1289-D1407 IonicContact CZ-OD1 2.76Å; R1289-D1407 IonicContact NH1-OD1 3.75Å; R1289-D1407 IonicContact NH2-OD1 3.64Å; R1289-D1407 PolarHBondContact NH2-OD1 3.16Å; R1289-D1407 IonicContact NH2-OD2 2.69Å; R1289-D1407 PolarHBondContact NH2-OD2 2.94Å; R1289-F1430 HydrophobicContact CB-CD1 4.45Å; R1289-F1430 HydrophobicContact CB-CD2 4.03Å; R1289-F1430 HydrophobicContact CB-CE1 4.31Å; R1289-F1430 HydrophobicContact CB-CE2 3.91Å; R1289-F1430 HydrophobicContact CB-CG 4.32Å; R1289-F1430 HydrophobicContact CB-CZ 4.05Å; R1289-F1430 VanDerWaalsContact O-CE2 3.3Å; R1289-F1430 WeakPolarHBondContact O-CE2 2.99Å
1290	A	90.2	Very high	69.3	Low	3 Å²	3	71.6 Å²	71.6	3%	0.025	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.9	171.7	0	0	0	0	0	110	L1325 V1398 D1399 L1400 I1401	A1290-L1325 HydrophobicContact CB-CB 4.46Å; A1290-L1325 HydrophobicContact CB-CD1 3.79Å; A1290-L1325 HydrophobicContact CB-CG 3.74Å; A1290-V1398 HydrophobicContact CB-CG1 4.26Å; A1290-D1399 PolarHBondContact N-O 2.84Å; A1290-L1400 HydrophobicContact CB-CD1 4.21Å; A1290-L1400 WeakPolarHBondContact O-CA 3.26Å; A1290-I1401 WeakPolarHBondContact O-CG1 3.35Å; A1290-I1401 PolarHBondContact O-N 2.82Å
1291	A	87.9	Confident	66.3	Low	7 Å²	7	72.5 Å²	72.5	6%	0.058	40%	0.4	C	S	.	.			trans	-145	157.7	172.4	0	0	0	0	0	111.3	I1401 P1403 F1430	A1291-I1401 WeakPolarHBondContact CA-O 3.26Å; A1291-I1401 HydrophobicContact CB-CG1 4.32Å; A1291-I1401 VanDerWaalsContact CB-O 3.31Å; A1291-I1401 WeakPolarHBondContact CB-O 3.18Å; A1291-P1403 HydrophobicContact CB-CG 4.34Å; A1291-F1430 HydrophobicContact CB-CZ 3.96Å
1292	P	84.4	Confident	63.3	Low	13 Å²	13	78.9 Å²	78.9	8%	0.084	43%	0.433	C	S	.	.			trans	-68.3	141.3	176.3	-21.1	33.3	0	0	0	114	I1294 P1375 M1380 I1401 P1403	P1292-I1294 PolarHBondContact O-N 3.12Å; P1292-P1375 HydrophobicContact CB-CG 3.72Å; P1292-P1375 HydrophobicContact CG-CB 4.29Å; P1292-P1375 HydrophobicContact CG-CG 3.64Å; P1292-M1380 HydrophobicContact CG-CE 3.88Å; P1292-I1401 WeakPolarHBondContact CD-O 3.38Å; P1292-P1403 VanDerWaalsContact O-CG 3.29Å; P1292-P1403 WeakPolarHBondContact O-CG 3.23Å
1293	N	72.8	Confident	60.8	Low	49 Å²	49	83.6 Å²	83.6	26%	0.262	47%	0.467	S	S	.	.			trans	-82.3	108.1	166.9	-171.5	-5.9	0	0	0	110.1	V1295 A1321 H1322	N1293-V1295 PolarHBondContact O-N 3.26Å; N1293-A1321 WeakPolarHBondContact O-CA 3.4Å; N1293-A1321 VanDerWaalsContact O-CB 3.28Å; N1293-A1321 WeakPolarHBondContact O-CB 3.28Å; N1293-H1322 PolarHBondContact N-O 2.81Å
1294	I	62	Low	58.4	Low	90 Å²	90	85.9 Å²	85.9	46%	0.462	48%	0.479	S	S	.	.			trans	-81.9	111.2	-177.6	-61.8	176.4	0	0	0	110.5	P1292 S1296 P1403	P1292-I1294 PolarHBondContact O-N 3.12Å; I1294-S1296 PolarHBondContact O-N 2.86Å; I1294-P1403 HydrophobicContact CD1-CG 3.86Å; I1294-P1403 HydrophobicContact CG1-CG 4.16Å
1295	V	50	Low	56.3	Low	94 Å²	94	91.9 Å²	91.9	57%	0.57	52%	0.516	S	S	*	.			trans	-79.5	108.6	171.3	-176.7	0	0	0	0	109.6	N1293 N1297	N1293-V1295 PolarHBondContact O-N 3.26Å; V1295-N1297 PolarHBondContact O-N 3.09Å
1296	S	40.3	Very low	54	Low	102 Å²	102	94.8 Å²	94.8	71%	0.713	52%	0.522	S	S	*	.			trans	-76.9	105.9	178.8	57.4	0	0	0	0	111.9	I1294 K1298	I1294-S1296 PolarHBondContact O-N 2.86Å; S1296-K1298 PolarHBondContact O-N 2.94Å
1297	N	30.1	Very low	51.3	Low	154 Å²	154	99.6 Å²	99.6	82%	0.824	56%	0.557	S	S	*	*			trans	-66.3	95.8	175.9	-86.2	-24.1	0	0	0	112.3	V1295	V1295-N1297 PolarHBondContact O-N 3.09Å
1298	K	31.4	Very low	48.5	Very low	199 Å²	199	104.5 Å²	104.5	87%	0.865	59%	0.589	S	S	*	*			trans	-136.2	128.4	157.3	-73.1	-167.9	177.5	179.5	0	110.6	S1296	S1296-K1298 PolarHBondContact O-N 2.94Å
1299	N	29.6	Very low	45.7	Very low	151 Å²	151	108.7 Å²	108.7	81%	0.807	61%	0.612	S	S	*	*			trans	-56	165.1	-161.5	-51	-18.5	0	0	0	117.7
1300	N	29.7	Very low	42.8	Very low	141 Å²	141	110.5 Å²	110.5	75%	0.754	63%	0.626	S	S	*	*			trans	95.4	88.2	155.5	-66.2	3.4	0	0	0	121.2
1301	T	28.2	Very low	40	Very low	112 Å²	112	115.3 Å²	115.3	69%	0.687	66%	0.66	S	S	*	*				56.4	115.1	116.6	57.8	0	0	0	0	122.6
1302	I	27.5	Very low	37.2	Very low	154 Å²	154	122 Å²	122	79%	0.79	69%	0.694	S	S	*	*				142.5	136.9	117.5	-84.1	150.3	0	0	0	117.2
1303	S	28.9	Very low	34.7	Very low	113 Å²	113	129.9 Å²	129.9	79%	0.79	73%	0.73	S	S	*	*			trans	66.8	153	160.9	69.6	0	0	0	0	122.1
1304	V	29.2	Very low	32.9	Very low	132 Å²	132	131.5 Å²	131.5	80%	0.8	74%	0.738	S	S	*	*			trans	-151	146.9	-171.7	173.1	0	0	0	0	109.2
1305	T	31.1	Very low	31.5	Very low	144 Å²	144	130.7 Å²	130.7	88%	0.883	74%	0.737	S	S	*	*			trans	-144.3	162.6	158	12.2	0	0	0	0	110.9
1306	Q	31.1	Very low	30.6	Very low	174 Å²	174	131 Å²	131	81%	0.813	74%	0.743	S	S	*	*			trans	-111.8	152.9	-152.1	-55.9	157.8	-75.6	0	0	115.4
1307	S	27.9	Very low	30.6	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	73%	0.731	S	S	*	*			trans	159.3	142	137.9	-74.8	0	0	0	0	110.5
1308	T	28.9	Very low	31	Very low	121 Å²	121	127.6 Å²	127.6	74%	0.742	72%	0.72	S	S	*	*			cis	-158.2	142.5	-0.8	9.5	0	0	0	0	111.4
1309	V	28.6	Very low	31.2	Very low	139 Å²	139	128 Å²	128	84%	0.842	72%	0.722	S	S	*	*			trans	52.5	109.4	156.3	-170.1	0	0	0	0	119.1
1310	I	29.8	Very low	31.9	Very low	119 Å²	119	122.3 Å²	122.3	61%	0.61	70%	0.698	S	S	*	*			trans	-135.6	159.2	162.2	-59.8	174.4	0	0	0	107.6	D1312 V1315	I1310-D1312 PolarHBondContact O-N 3.27Å; I1310-V1315 HydrophobicContact CB-CG2 3.95Å; I1310-V1315 HydrophobicContact CD1-CG2 4.31Å; I1310-V1315 HydrophobicContact CG2-CG2 3.52Å
1311	S	31.4	Very low	33.3	Very low	104 Å²	104	117.2 Å²	117.2	73%	0.727	68%	0.676	S	S	*	*			trans	-60.4	115.7	170.5	-173.6	0	0	0	0	111.4	Q1313	S1311-Q1313 VanDerWaalsContact C-N 3.32Å; S1311-Q1313 PolarHBondContact O-N 2.87Å; S1311-Q1313 VanDerWaalsContact O-N 3.12Å
1312	D	28.9	Very low	35.6	Very low	146 Å²	146	114.6 Å²	114.6	78%	0.781	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-15.8	-157.7	-76.4	-59.6	0	0	0	116.9	I1310	I1310-D1312 PolarHBondContact O-N 3.27Å
1313	Q	31.8	Very low	38.4	Very low	180 Å²	180	107.2 Å²	107.2	84%	0.841	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-18.2	-170.8	-74.4	-171.5	-26.2	0	0	115.6	S1311	S1311-Q1313 VanDerWaalsContact C-N 3.32Å; S1311-Q1313 PolarHBondContact O-N 2.87Å; S1311-Q1313 VanDerWaalsContact O-N 3.12Å
1314	L	34.6	Very low	41.2	Very low	83 Å²	83	103.9 Å²	103.9	44%	0.435	59%	0.588	S	S	.	*	S	Bend	trans	-106.7	-13.7	-172.4	-134.2	148.7	0	0	0	113.5	I1357	L1314-I1357 HydrophobicContact CD1-CD1 3.9Å; L1314-I1357 HydrophobicContact CD2-CD1 3.74Å; L1314-I1357 HydrophobicContact CG-CD1 4.49Å
1315	V	33.2	Very low	44.2	Very low	72 Å²	72	97.6 Å²	97.6	44%	0.436	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-81.9	-23.2	-173.5	-176.4	0	0	0	0	112.9	I1310 I1317 V1318	I1310-V1315 HydrophobicContact CB-CG2 3.95Å; I1310-V1315 HydrophobicContact CD1-CG2 4.31Å; I1310-V1315 HydrophobicContact CG2-CG2 3.52Å; V1315-I1317 VanDerWaalsContact C-N 3.29Å; V1315-I1317 PolarHBondContact O-N 2.84Å; V1315-V1318 PolarHBondContact O-N 2.88Å
1316	S	29.7	Very low	47.1	Very low	100 Å²	100	91 Å²	91	70%	0.699	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-70.2	-19.3	-174.2	58.7	0	0	0	0	114.9
1317	I	40.9	Very low	49.9	Very low	90 Å²	90	83 Å²	83	46%	0.462	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-79.4	-20.2	-176	-58.8	175.7	0	0	0	111.8	V1315 K1319 I1373	V1315-I1317 VanDerWaalsContact C-N 3.29Å; V1315-I1317 PolarHBondContact O-N 2.84Å; I1317-K1319 VanDerWaalsContact C-N 3.29Å; I1317-K1319 PolarHBondContact O-N 3.43Å; I1317-I1373 HydrophobicContact CG2-CD1 3.7Å; I1317-I1373 HydrophobicContact CG2-CG1 4.23Å
1318	V	38.9	Very low	52.9	Low	95 Å²	95	77.9 Å²	77.9	58%	0.576	44%	0.436	S	S	*	.			trans	-85	56.5	-163.5	-161.4	0	0	0	0	112.9	V1315	V1315-V1318 PolarHBondContact O-N 2.88Å
1319	K	34.9	Very low	55.8	Low	209 Å²	209	72.1 Å²	72.1	91%	0.909	40%	0.401	S	S	*	.	S	Bend	trans	-139.1	21.6	179.6	-114.2	-179.7	-176.4	179.8	0	116.1	I1317	I1317-K1319 VanDerWaalsContact C-N 3.29Å; I1317-K1319 PolarHBondContact O-N 3.43Å
1320	G	45.1	Very low	58.6	Low	31 Å²	31	66.3 Å²	66.3	32%	0.32	37%	0.368	S	S	.	.	S	Bend	trans	-137.7	171.8	172.7	0	0	0	0	0	112.7	H1322	G1320-H1322 PolarHBondContact O-N 2.77Å; G1320-H1322 PolarHBondContact O-ND1 2.88Å
1321	A	58.7	Low	61.4	Low	34 Å²	34	60.7 Å²	60.7	28%	0.281	34%	0.339	S	S	.	.			trans	-59.1	128.9	169.9	0	0	0	0	0	110	N1293 Q1374	N1293-A1321 WeakPolarHBondContact O-CA 3.4Å; N1293-A1321 VanDerWaalsContact O-CB 3.28Å; N1293-A1321 WeakPolarHBondContact O-CB 3.28Å; A1321-Q1374 WeakPolarHBondContact O-CA 3.43Å; A1321-Q1374 PolarHBondContact O-N 2.6Å
1322	H	77	Confident	64	Low	56 Å²	56	57.3 Å²	57.3	26%	0.259	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	159.8	-177	58.7	-84.3	0	0	0	110.6	N1293 G1320 L1372	N1293-H1322 PolarHBondContact N-O 2.81Å; G1320-H1322 PolarHBondContact O-N 2.77Å; G1320-H1322 PolarHBondContact O-ND1 2.88Å; H1322-L1372 CarbonylContact C-O 3.55Å; H1322-L1372 WeakPolarHBondContact CA-O 2.9Å; H1322-L1372 WeakPolarHBondContact CB-O 3Å
1323	A	84.8	Confident	66.6	Low	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.1	168.4	0	0	0	0	0	109.8	L1325 Y1371 L1372 P1375 L1400	A1323-L1325 HydrophobicContact CB-CD1 4.46Å; A1323-Y1371 WeakPolarHBondContact O-CA 3.4Å; A1323-L1372 HydrophobicContact CB-CB 4.37Å; A1323-L1372 PolarHBondContact N-O 3.27Å; A1323-L1372 PolarHBondContact O-N 2.88Å; A1323-P1375 HydrophobicContact CB-CG 4.21Å; A1323-L1400 HydrophobicContact CB-CD1 3.68Å
1324	R	89.6	Confident	69.2	Low	43 Å²	43	49.2 Å²	49.2	16%	0.162	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	101.6	179	-179.9	-170.8	-177.5	-108.5	21	108.9	T1326 I1369 Y1371 L1460	R1324-T1326 PolarHBondContact NH1-OG1 2.68Å; R1324-T1326 VanDerWaalsContact NH1-OG1 3.12Å; R1324-I1369 HydrophobicContact CG-CG2 3.64Å; R1324-Y1371 HydrophobicContact CB-CD1 4.26Å; R1324-Y1371 HydrophobicContact CB-CE1 4.05Å; R1324-Y1371 HydrophobicContact CG-CD1 4.37Å; R1324-Y1371 HydrophobicContact CG-CE1 3.83Å; R1324-L1460 PolarHBondContact NH1-O 2.73Å; R1324-L1460 PolarHBondContact NH2-O 2.92Å
1325	L	91.8	Very high	71.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	147	168.3	-72.9	69.1	0	0	0	108.3	A1290 A1323 W1339 I1369 L1370 L1372 Y1383 V1398 L1400	A1290-L1325 HydrophobicContact CB-CB 4.46Å; A1290-L1325 HydrophobicContact CB-CD1 3.79Å; A1290-L1325 HydrophobicContact CB-CG 3.74Å; A1323-L1325 HydrophobicContact CB-CD1 4.46Å; L1325-W1339 HydrophobicContact CB-CH2 4.22Å; L1325-W1339 HydrophobicContact CB-CZ3 4.32Å; L1325-I1369 WeakPolarHBondContact O-CA 3.47Å; L1325-I1369 WeakPolarHBondContact O-CG2 3Å; L1325-L1370 HydrophobicContact CB-CB 4.24Å; L1325-L1370 HydrophobicContact CD2-CD2 4.39Å; L1325-L1370 PolarHBondContact N-O 3.14Å; L1325-L1370 PolarHBondContact O-N 2.81Å; L1325-L1372 HydrophobicContact CD1-CD1 4.08Å; L1325-Y1383 HydrophobicContact CD2-CD1 3.88Å; L1325-Y1383 HydrophobicContact CD2-CD2 3.86Å; L1325-Y1383 HydrophobicContact CD2-CG 3.5Å; L1325-Y1383 VanDerWaalsContact CD2-CG 3.5Å; L1325-V1398 HydrophobicContact CB-CG1 3.98Å; L1325-V1398 HydrophobicContact CD2-CB 4.27Å; L1325-V1398 HydrophobicContact CD2-CG1 4.05Å; L1325-V1398 HydrophobicContact CG-CB 4.48Å; L1325-V1398 HydrophobicContact CG-CG1 3.79Å; L1325-L1400 HydrophobicContact CD1-CD1 4.16Å
1326	T	91.3	Very high	74.7	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.025	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	132.1	-178.4	-60.8	0	0	0	0	110.3	W1287 R1324 H1367 A1368 I1369 V1398	W1287-T1326 HydrophobicContact CD2-CG2 4.15Å; W1287-T1326 HydrophobicContact CG-CG2 4.14Å; R1324-T1326 PolarHBondContact NH1-OG1 2.68Å; R1324-T1326 VanDerWaalsContact NH1-OG1 3.12Å; T1326-H1367 HydrophobicContact CG2-CB 4.44Å; T1326-A1368 CarbonylContact C-O 3.56Å; T1326-A1368 WeakPolarHBondContact CA-O 3.21Å; T1326-I1369 HydrophobicContact CG2-CG1 4.36Å; T1326-V1398 WeakPolarHBondContact O-CG2 3.22Å
1327	C	91.2	Very high	77.7	Confident	6 Å²	6	43.1 Å²	43.1	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147	168.3	-75.3	0	0	0	0	109.7	W1339 H1367 A1368 C1385	C1327-W1339 HydrophobicContact CB-CH2 4.28Å; C1327-H1367 CarbonylContact O-C 3.57Å; C1327-H1367 WeakPolarHBondContact O-CA 3.34Å; C1327-A1368 HydrophobicContact CB-CB 4.41Å; C1327-A1368 PolarHBondContact N-O 3.01Å; C1327-A1368 PolarHBondContact O-N 2.95Å; C1327-C1385 HydrophobicContact CB-CB 3.78Å; C1327-C1385 WeakPolarHBondContact CB-SG 2.89Å; C1327-C1385 WeakPolarHBondContact SG-CB 3.19Å; C1327-C1385 CovalentContact SG-SG 2.03Å; C1327-C1385 PolarHBondContact SG-SG 2.92Å
1328	V	89.8	Confident	80.1	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.5	173.3	-177.5	0	0	0	0	108.5	I1281 V1282 V1284 W1287 L1365 Y1366	I1281-V1328 WeakPolarHBondContact CA-O 3.26Å; V1282-V1328 HydrophobicContact CB-CB 3.89Å; V1282-V1328 HydrophobicContact CB-CG1 3.76Å; V1282-V1328 HydrophobicContact CG1-CB 4.39Å; V1282-V1328 HydrophobicContact CG1-CG1 4.08Å; V1282-V1328 HydrophobicContact CG2-CG1 4.19Å; V1282-V1328 PolarHBondContact N-O 2.91Å; V1284-V1328 HydrophobicContact CG2-CB 4.44Å; V1284-V1328 HydrophobicContact CG2-CG2 3.97Å; W1287-V1328 HydrophobicContact CD2-CG2 4.45Å; W1287-V1328 HydrophobicContact CE3-CG2 3.28Å; W1287-V1328 HydrophobicContact CZ3-CG2 3.36Å; V1328-L1365 HydrophobicContact CG1-CD1 3.73Å; V1328-L1365 HydrophobicContact CG1-CG 4.18Å; V1328-Y1366 WeakPolarHBondContact CA-O 3.15Å
1329	I	90.2	Very high	82.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.6	-176.9	-53.5	159.3	0	0	0	108.1	P1279 I1281 A1331 P1335 V1337 L1365 Y1366 A1368 A1387	P1279-I1329 HydrophobicContact CB-CG2 4.07Å; I1281-I1329 HydrophobicContact CG1-CG1 4.11Å; I1329-A1331 HydrophobicContact CG2-CB 3.99Å; I1329-P1335 HydrophobicContact CB-CG 4.33Å; I1329-P1335 HydrophobicContact CD1-CG 4.1Å; I1329-P1335 HydrophobicContact CG2-CB 4.11Å; I1329-P1335 HydrophobicContact CG2-CG 3.9Å; I1329-V1337 HydrophobicContact CD1-CG2 3.49Å; I1329-V1337 VanDerWaalsContact CD1-CG2 3.49Å; I1329-L1365 WeakPolarHBondContact O-CA 3.42Å; I1329-Y1366 PolarHBondContact N-O 2.7Å; I1329-Y1366 PolarHBondContact O-N 3.11Å; I1329-A1368 HydrophobicContact CD1-CB 3.74Å; I1329-A1387 HydrophobicContact CD1-CB 3.73Å; I1329-A1387 HydrophobicContact CG1-CB 4.01Å; I1329-A1387 HydrophobicContact CG2-CB 3.87Å
1330	A	87.4	Confident	85.3	Confident	18 Å²	18	30.2 Å²	30.2	15%	0.149	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	120.7	162.6	0	0	0	0	0	108.3	F1277 P1279 R1280 V1282 G1364 L1365	F1277-A1330 VanDerWaalsContact CE2-C 3.48Å; F1277-A1330 HydrophobicContact CE2-CB 3.98Å; F1277-A1330 WeakPolarHBondContact CE2-O 3.34Å; F1277-A1330 HydrophobicContact CZ-CB 4.18Å; P1279-A1330 CarbonylContact C-O 3.47Å; P1279-A1330 WeakPolarHBondContact CA-O 3.47Å; R1280-A1330 PolarHBondContact N-O 3.39Å; R1280-A1330 PolarHBondContact O-N 2.9Å; V1282-A1330 HydrophobicContact CG2-CB 4.04Å; A1330-G1364 CarbonylContact C-O 3.53Å; A1330-G1364 WeakPolarHBondContact CA-O 3.25Å; A1330-L1365 HydrophobicContact CB-CD1 4.02Å
1331	A	87.6	Confident	87.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	147.3	-178.6	0	0	0	0	0	110.9	P1279 I1329 P1335 G1364 Y1366	P1279-A1331 HydrophobicContact CB-CB 4.11Å; P1279-A1331 HydrophobicContact CG-CB 4.29Å; I1329-A1331 HydrophobicContact CG2-CB 3.99Å; A1331-P1335 HydrophobicContact CB-CB 4.14Å; A1331-P1335 HydrophobicContact CB-CG 4.17Å; A1331-G1364 PolarHBondContact N-O 2.76Å; A1331-G1364 CarbonylContact O-C 2.89Å; A1331-G1364 WeakPolarHBondContact O-CA 3.44Å; A1331-Y1366 WeakPolarHBondContact O-CE2 3.36Å
1332	E	85.9	Confident	88.5	Confident	33 Å²	33	32.1 Å²	32.1	15%	0.154	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	114	172.2	-172.5	64	-110.5	0	0	109.2	Y1275 P1276 F1277 G1364	Y1275-E1332 WeakPolarHBondContact O-CB 3.17Å; Y1275-E1332 WeakPolarHBondContact O-CG 3.04Å; P1276-E1332 CarbonylContact C-O 3.58Å; P1276-E1332 VanDerWaalsContact CA-O 3.23Å; P1276-E1332 WeakPolarHBondContact CA-O 3.03Å; F1277-E1332 HydrophobicContact CD1-CB 3.71Å; F1277-E1332 HydrophobicContact CE1-CB 3.56Å; F1277-E1332 HydrophobicContact CZ-CB 4.43Å; F1277-E1332 PolarHBondContact N-O 2.85Å; F1277-E1332 PolarHBondContact O-N 2.84Å; E1332-G1364 PolarHBondContact OE2-N 3.07Å
1333	P	85.1	Confident	87.9	Confident	45 Å²	45	35.6 Å²	35.6	29%	0.292	19%	0.188	S	C	.	.	S	Bend	cis	-74.1	177.1	4.8	33.3	-37.8	0	0	0	113.8	N1389 L1390	P1333-N1389 WeakPolarHBondContact O-CB 3.2Å; P1333-N1389 PolarHBondContact O-ND2 3.18Å; P1333-L1390 HydrophobicContact CG-CD1 4.31Å; P1333-L1390 HydrophobicContact CG-CG 4.45Å
1334	N	85.7	Confident	86.8	Confident	111 Å²	111	38.8 Å²	38.8	59%	0.594	21%	0.214	S	C	*	.			trans	-39.2	136.5	179.6	-56.4	15.2	0	0	0	114	Y1366	N1334-Y1366 HydrophobicContact CB-CE1 4.31Å; N1334-Y1366 PolarHBondContact OD1-OH 2.72Å
1335	P	91.6	Very high	85.7	Confident	11 Å²	11	41.5 Å²	41.5	7%	0.071	23%	0.232	C	C	.	.			trans	-86.5	137.5	179	33.5	-33.3	0	0	0	113.5	I1329 A1331 V1337 Y1366 A1387 K1388	I1329-P1335 HydrophobicContact CB-CG 4.33Å; I1329-P1335 HydrophobicContact CD1-CG 4.1Å; I1329-P1335 HydrophobicContact CG2-CB 4.11Å; I1329-P1335 HydrophobicContact CG2-CG 3.9Å; A1331-P1335 HydrophobicContact CB-CB 4.14Å; A1331-P1335 HydrophobicContact CB-CG 4.17Å; P1335-V1337 HydrophobicContact CB-CG2 4.37Å; P1335-V1337 HydrophobicContact CG-CG2 4.5Å; P1335-Y1366 HydrophobicContact CG-CD2 4.18Å; P1335-Y1366 HydrophobicContact CG-CG 4.21Å; P1335-A1387 HydrophobicContact CB-CB 4.35Å; P1335-K1388 CarbonylContact C-O 3.6Å; P1335-K1388 WeakPolarHBondContact CA-O 3.39Å
1336	E	92.6	Very high	85	Confident	95 Å²	95	47 Å²	47	44%	0.444	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.2	155.4	178.3	179.9	-148.6	0	0	109.1	H1338 A1387 K1388	E1336-H1338 IonicContact OE1-CE1 2.78Å; E1336-H1338 IonicContact OE1-NE2 3.41Å; E1336-A1387 CarbonylContact O-C 3.05Å; E1336-A1387 WeakPolarHBondContact O-CA 3.39Å; E1336-K1388 PolarHBondContact N-O 2.83Å; E1336-K1388 PolarHBondContact O-N 3.21Å; E1336-K1388 IonicContact OE2-NZ 3.91Å; E1336-K1388 PolarHBondContact OE2-NZ 3.34Å
1337	V	91.7	Very high	84.3	Confident	21 Å²	21	51.2 Å²	51.2	13%	0.127	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.5	-174.7	-173.3	0	0	0	0	112.3	I1329 P1335 V1358 A1368 K1386 A1387	I1329-V1337 HydrophobicContact CD1-CG2 3.49Å; I1329-V1337 VanDerWaalsContact CD1-CG2 3.49Å; P1335-V1337 HydrophobicContact CB-CG2 4.37Å; P1335-V1337 HydrophobicContact CG-CG2 4.5Å; V1337-V1358 HydrophobicContact CB-CG2 4.05Å; V1337-V1358 HydrophobicContact CG2-CG2 3.72Å; V1337-A1368 HydrophobicContact CB-CB 4.46Å; V1337-A1368 HydrophobicContact CG1-CB 3.87Å; V1337-A1368 HydrophobicContact CG2-CB 4.19Å; V1337-K1386 CarbonylContact C-O 3.59Å; V1337-K1386 VanDerWaalsContact CA-O 3.29Å; V1337-K1386 WeakPolarHBondContact CA-O 2.96Å; V1337-A1387 HydrophobicContact CG2-CB 4.39Å
1338	H	91.6	Very high	83.8	Confident	85 Å²	85	52.8 Å²	52.8	39%	0.394	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.3	173.6	-46.8	-43.4	0	0	0	110.2	E1336 K1386	E1336-H1338 IonicContact OE1-CE1 2.78Å; E1336-H1338 IonicContact OE1-NE2 3.41Å; H1338-K1386 PolarHBondContact N-O 2.9Å; H1338-K1386 PolarHBondContact O-N 3.48Å
1339	W	91.8	Very high	83	Confident	6 Å²	6	59.5 Å²	59.5	2%	0.023	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.8	177.5	-68.1	89.4	0	0	0	112	L1325 C1327 T1347 L1348 S1356 A1368 L1370 F1384 C1385 V1398	L1325-W1339 HydrophobicContact CB-CH2 4.22Å; L1325-W1339 HydrophobicContact CB-CZ3 4.32Å; C1327-W1339 HydrophobicContact CB-CH2 4.28Å; W1339-T1347 CarbonylContact O-C 3.57Å; W1339-T1347 WeakPolarHBondContact O-CA 3.17Å; W1339-L1348 HydrophobicContact CB-CB 4.3Å; W1339-L1348 HydrophobicContact CB-CD1 4.05Å; W1339-L1348 HydrophobicContact CB-CG 4.46Å; W1339-L1348 PolarHBondContact O-N 2.94Å; W1339-S1356 PolarHBondContact NE1-OG 2.76Å; W1339-A1368 HydrophobicContact CZ2-CB 4.28Å; W1339-L1370 HydrophobicContact CB-CD2 4.15Å; W1339-L1370 HydrophobicContact CD2-CB 3.83Å; W1339-L1370 HydrophobicContact CD2-CD2 3.79Å; W1339-L1370 HydrophobicContact CD2-CG 4.38Å; W1339-L1370 VanDerWaalsContact CE2-CB 3.49Å; W1339-L1370 HydrophobicContact CE3-CB 4.28Å; W1339-L1370 HydrophobicContact CE3-CD2 3.91Å; W1339-L1370 HydrophobicContact CG-CB 4.3Å; W1339-L1370 HydrophobicContact CG-CD2 3.9Å; W1339-L1370 HydrophobicContact CH2-CB 4.13Å; W1339-L1370 HydrophobicContact CZ2-CB 3.67Å; W1339-L1370 HydrophobicContact CZ3-CB 4.41Å; W1339-F1384 CarbonylContact C-O 3.53Å; W1339-F1384 VanDerWaalsContact CA-O 3.28Å; W1339-F1384 WeakPolarHBondContact CA-O 3.3Å; W1339-C1385 HydrophobicContact CD2-CB 4.21Å; W1339-C1385 HydrophobicContact CE3-CB 3.94Å; W1339-C1385 HydrophobicContact CH2-CB 3.94Å; W1339-C1385 HydrophobicContact CZ2-CB 4.19Å; W1339-C1385 HydrophobicContact CZ3-CB 3.81Å; W1339-V1398 HydrophobicContact CZ3-CG2 4.33Å
1340	L	91.4	Very high	82.1	Confident	32 Å²	32	65.1 Å²	65.1	17%	0.168	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.6	179.6	-48.4	173.1	0	0	0	110.6	L1346 T1347 Y1383 F1384	L1340-L1346 WeakPolarHBondContact CA-O 3.44Å; L1340-T1347 HydrophobicContact CD2-CG2 3.57Å; L1340-Y1383 CarbonylContact O-C 3.49Å; L1340-Y1383 WeakPolarHBondContact O-CA 3.45Å; L1340-F1384 HydrophobicContact CB-CB 4.23Å; L1340-F1384 PolarHBondContact N-O 3.18Å; L1340-F1384 PolarHBondContact O-N 3.44Å
1341	R	87.8	Confident	81.2	Confident	56 Å²	56	66.3 Å²	66.3	21%	0.211	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.1	176	-175.6	176.6	170.9	177	-2.3	112.4	N1345 L1346 L1348 V1378 D1379 Y1383	R1341-N1345 WeakPolarHBondContact O-CA 3.43Å; R1341-N1345 PolarHBondContact O-N 3.32Å; R1341-L1346 PolarHBondContact N-O 2.76Å; R1341-L1346 VanDerWaalsContact N-O 3.12Å; R1341-L1346 PolarHBondContact O-N 2.96Å; R1341-L1348 HydrophobicContact CB-CD2 4.18Å; R1341-V1378 PolarHBondContact NH2-O 3.38Å; R1341-D1379 IonicContact CZ-OD1 3.76Å; R1341-D1379 IonicContact NH1-OD1 3.68Å; R1341-D1379 PolarHBondContact NH1-OD1 2.87Å; R1341-Y1383 HydrophobicContact CG-CE1 4.33Å; R1341-Y1383 PolarHBondContact NH1-OH 3.17Å
1342	E	82	Confident	80.5	Confident	49 Å²	49	70 Å²	70	23%	0.229	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	155	172.4	-91.6	-179.4	111.3	0	0	111.9	R1382 F1384	E1342-R1382 HydrophobicContact CB-CB 4.31Å; E1342-R1382 PolarHBondContact N-O 2.81Å; E1342-R1382 VanDerWaalsContact N-O 3.16Å; E1342-R1382 IonicContact OE1-CZ 2.65Å; E1342-R1382 IonicContact OE1-NH1 3.23Å; E1342-R1382 PolarHBondContact OE1-NH1 2.79Å; E1342-R1382 IonicContact OE1-NH2 2.91Å; E1342-R1382 PolarHBondContact OE1-NH2 2.89Å; E1342-R1382 VanDerWaalsContact OE2-CB 3.28Å; E1342-R1382 WeakPolarHBondContact OE2-CB 3.43Å; E1342-R1382 WeakPolarHBondContact OE2-CD 3.41Å; E1342-R1382 IonicContact OE2-CZ 3.92Å; E1342-R1382 IonicContact OE2-NE 2.71Å; E1342-R1382 PolarHBondContact OE2-NE 3.34Å; E1342-R1382 IonicContact OE2-NH1 2.62Å; E1342-R1382 PolarHBondContact OE2-NH1 3.33Å; E1342-R1382 IonicContact OE2-NH2 3.59Å; E1342-F1384 HydrophobicContact CB-CE2 4.46Å; E1342-F1384 HydrophobicContact CG-CE2 3.77Å; E1342-F1384 HydrophobicContact CG-CZ 4.41Å; E1342-F1384 WeakPolarHBondContact OE2-CE2 3.48Å; E1342-F1384 VanDerWaalsContact OE2-CZ 3.23Å; E1342-F1384 WeakPolarHBondContact OE2-CZ 3.42Å
1343	P	65.3	Low	80.3	Confident	130 Å²	130	71 Å²	71	84%	0.844	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.6	-9.1	6.6	34.2	-37.1	0	0	0	115
1344	A	62.5	Low	80.4	Confident	67 Å²	67	70.5 Å²	70.5	55%	0.554	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	4.7	-169.8	0	0	0	0	0	114.7	L1346	A1344-L1346 HydrophobicContact CB-CD1 3.95Å; A1344-L1346 HydrophobicContact CB-CD2 4.43Å; A1344-L1346 HydrophobicContact CB-CG 3.74Å; A1344-L1346 PolarHBondContact O-N 2.69Å; A1344-L1346 VanDerWaalsContact O-N 3.09Å
1345	N	66.4	Low	80.3	Confident	99 Å²	99	67.4 Å²	67.4	53%	0.529	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	35	-175	-70.6	-10.3	0	0	0	113.8	R1341 T1347	R1341-N1345 WeakPolarHBondContact O-CA 3.43Å; R1341-N1345 PolarHBondContact O-N 3.32Å; N1345-T1347 PolarHBondContact O-N 2.9Å
1346	L	75.3	Confident	80.1	Confident	115 Å²	115	68.5 Å²	68.5	60%	0.602	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.9	-176.1	-68.8	168.6	0	0	0	109.9	L1340 R1341 A1344 L1348	L1340-L1346 WeakPolarHBondContact CA-O 3.44Å; R1341-L1346 PolarHBondContact N-O 2.76Å; R1341-L1346 VanDerWaalsContact N-O 3.12Å; R1341-L1346 PolarHBondContact O-N 2.96Å; A1344-L1346 HydrophobicContact CB-CD1 3.95Å; A1344-L1346 HydrophobicContact CB-CD2 4.43Å; A1344-L1346 HydrophobicContact CB-CG 3.74Å; A1344-L1346 PolarHBondContact O-N 2.69Å; A1344-L1346 VanDerWaalsContact O-N 3.09Å; L1346-L1348 PolarHBondContact O-N 2.89Å
1347	T	78.3	Confident	80	Confident	94 Å²	94	66 Å²	66	58%	0.577	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	116.5	168.1	46.8	0	0	0	0	109.5	W1339 L1340 N1345 I1349	W1339-T1347 CarbonylContact O-C 3.57Å; W1339-T1347 WeakPolarHBondContact O-CA 3.17Å; L1340-T1347 HydrophobicContact CD2-CG2 3.57Å; N1345-T1347 PolarHBondContact O-N 2.9Å; T1347-I1349 PolarHBondContact O-N 3.39Å
1348	L	80.2	Confident	79.8	Confident	38 Å²	38	68.1 Å²	68.1	20%	0.199	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-71.6	116.2	175.1	-59.9	177.8	0	0	0	108.7	W1339 R1341 L1346 F1354 L1370 Y1383	W1339-L1348 HydrophobicContact CB-CB 4.3Å; W1339-L1348 HydrophobicContact CB-CD1 4.05Å; W1339-L1348 HydrophobicContact CB-CG 4.46Å; W1339-L1348 PolarHBondContact O-N 2.94Å; R1341-L1348 HydrophobicContact CB-CD2 4.18Å; L1346-L1348 PolarHBondContact O-N 2.89Å; L1348-F1354 HydrophobicContact CD1-CD1 4.4Å; L1348-F1354 HydrophobicContact CD2-CE2 4.5Å; L1348-L1370 HydrophobicContact CD1-CD2 3.82Å; L1348-Y1383 HydrophobicContact CD1-CD1 3.73Å; L1348-Y1383 HydrophobicContact CD1-CE1 3.63Å
1349	I	71.9	Confident	79.5	Confident	144 Å²	144	68.2 Å²	68.2	74%	0.738	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-78.6	135.9	174.9	-59.2	169.9	0	0	0	107.8	T1347 G1351	T1347-I1349 PolarHBondContact O-N 3.39Å; I1349-G1351 PolarHBondContact O-N 2.95Å
1350	E	71.3	Confident	78.9	Confident	119 Å²	119	71.1 Å²	71.1	56%	0.556	42%	0.417	S	S	*	.	S	Bend	trans	-67	126.8	177.2	177.4	151.3	-125	0	0	111.3	H1355 S1356	E1350-H1355 IonicContact OE1-CE1 3.78Å; E1350-H1355 IonicContact OE1-CG 3.95Å; E1350-H1355 IonicContact OE1-ND1 3.04Å; E1350-H1355 PolarHBondContact OE1-ND1 2.83Å; E1350-S1356 PolarHBondContact OE1-N 2.81Å
1351	G	68.3	Low	78.1	Confident	42 Å²	42	72.6 Å²	72.6	43%	0.433	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	139.1	164.5	-178.3	0	0	0	0	0	113.7	I1349 Q1353 F1354	I1349-G1351 PolarHBondContact O-N 2.95Å; G1351-Q1353 PolarHBondContact O-N 2.74Å; G1351-F1354 PolarHBondContact N-O 3.44Å; G1351-F1354 PolarHBondContact O-N 3.08Å; G1351-F1354 VanDerWaalsContact O-N 3.14Å
1352	G	73.7	Confident	77.2	Confident	79 Å²	79	73 Å²	73	81%	0.814	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	-107.9	177.9	0	0	0	0	0	112.4
1353	Q	82.2	Confident	76.7	Confident	52 Å²	52	71.7 Å²	71.7	24%	0.243	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.4	-178.9	-153.5	-171.2	6.2	0	0	113.3	G1351 L1372 I1373 D1379	G1351-Q1353 PolarHBondContact O-N 2.74Å; Q1353-L1372 WeakPolarHBondContact O-CA 3.14Å; Q1353-I1373 WeakPolarHBondContact CG-O 3.13Å; Q1353-I1373 PolarHBondContact NE2-O 3.07Å; Q1353-I1373 PolarHBondContact O-N 2.91Å; Q1353-D1379 PolarHBondContact NE2-OD2 2.85Å
1354	F	86.1	Confident	77.4	Confident	36 Å²	36	65.7 Å²	65.7	16%	0.158	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.2	-166.3	-53.9	-70.8	0	0	0	112	L1348 G1351 L1370 Y1371 L1372	L1348-F1354 HydrophobicContact CD1-CD1 4.4Å; L1348-F1354 HydrophobicContact CD2-CE2 4.5Å; G1351-F1354 PolarHBondContact N-O 3.44Å; G1351-F1354 PolarHBondContact O-N 3.08Å; G1351-F1354 VanDerWaalsContact O-N 3.14Å; F1354-L1370 HydrophobicContact CB-CD1 4.16Å; F1354-Y1371 WeakPolarHBondContact CA-O 3.3Å; F1354-L1372 HydrophobicContact CD1-CD1 3.77Å; F1354-L1372 HydrophobicContact CD1-CG 3.88Å; F1354-L1372 HydrophobicContact CE1-CD1 4.01Å; F1354-L1372 HydrophobicContact CE1-CD2 4.26Å; F1354-L1372 HydrophobicContact CE1-CG 3.76Å
1355	H	85.1	Confident	78.4	Confident	46 Å²	46	63 Å²	63	21%	0.213	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.7	175.7	173.5	42.3	0	0	0	111	E1350 L1370 Y1371	E1350-H1355 IonicContact OE1-CE1 3.78Å; E1350-H1355 IonicContact OE1-CG 3.95Å; E1350-H1355 IonicContact OE1-ND1 3.04Å; E1350-H1355 PolarHBondContact OE1-ND1 2.83Å; H1355-L1370 WeakPolarHBondContact O-CA 3.02Å; H1355-Y1371 PolarHBondContact N-O 2.76Å; H1355-Y1371 PolarHBondContact O-N 3.15Å
1356	S	87.3	Confident	79.4	Confident	33 Å²	33	58.9 Å²	58.9	23%	0.231	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.3	-170.7	-176.5	0	0	0	0	112.4	W1339 E1350 I1369	W1339-S1356 PolarHBondContact NE1-OG 2.76Å; E1350-S1356 PolarHBondContact OE1-N 2.81Å; S1356-I1369 CarbonylContact C-O 3.59Å; S1356-I1369 VanDerWaalsContact CA-O 3.31Å; S1356-I1369 WeakPolarHBondContact CA-O 3.36Å
1357	I	89	Confident	80	Confident	44 Å²	44	53.4 Å²	53.4	23%	0.226	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.1	-178.7	-48	-177.6	0	0	0	110.3	L1314 A1368 I1369 Y1371	L1314-I1357 HydrophobicContact CD1-CD1 3.9Å; L1314-I1357 HydrophobicContact CD2-CD1 3.74Å; L1314-I1357 HydrophobicContact CG-CD1 4.49Å; I1357-A1368 CarbonylContact O-C 3.55Å; I1357-A1368 WeakPolarHBondContact O-CA 3.33Å; I1357-I1369 PolarHBondContact N-O 2.9Å; I1357-I1369 PolarHBondContact O-N 3.24Å; I1357-Y1371 HydrophobicContact CD1-CD2 4.33Å; I1357-Y1371 HydrophobicContact CD1-CE2 3.76Å; I1357-Y1371 HydrophobicContact CG1-CE2 4.36Å
1358	V	88.9	Confident	80.7	Confident	64 Å²	64	49 Å²	49	39%	0.388	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127	167.7	-175.7	0	0	0	0	109.6	V1337 Y1366 H1367 A1368	V1337-V1358 HydrophobicContact CB-CG2 4.05Å; V1337-V1358 HydrophobicContact CG2-CG2 3.72Å; V1358-Y1366 HydrophobicContact CG1-CD1 4.18Å; V1358-H1367 CarbonylContact C-O 3.21Å; V1358-H1367 VanDerWaalsContact CA-O 3.31Å; V1358-H1367 WeakPolarHBondContact CA-O 3.5Å; V1358-A1368 HydrophobicContact CG2-CB 4.5Å
1359	K	83.7	Confident	81.2	Confident	87 Å²	87	47.4 Å²	47.4	38%	0.378	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.3	-174.8	178	175.7	178.7	177.2	0	110.3	Y1366 H1367 D1461	K1359-Y1366 CarbonylContact O-C 3.57Å; K1359-Y1366 VanDerWaalsContact O-CA 3.31Å; K1359-Y1366 WeakPolarHBondContact O-CA 3.17Å; K1359-H1367 HydrophobicContact CB-CB 4.5Å; K1359-H1367 PolarHBondContact N-O 2.82Å; K1359-H1367 PolarHBondContact O-N 2.98Å; K1359-D1461 WeakPolarHBondContact CE-OD1 3.12Å; K1359-D1461 IonicContact NZ-OD1 2.61Å; K1359-D1461 PolarHBondContact NZ-OD1 2.81Å; K1359-D1461 IonicContact NZ-OD2 3.78Å; K1359-D1461 PolarHBondContact NZ-OD2 3.16Å
1360	S	80.4	Confident	82.2	Confident	67 Å²	67	40.7 Å²	40.7	47%	0.469	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	137.6	174	-174.3	0	0	0	0	110.8	R1362	S1360-R1362 PolarHBondContact OG-O 3.08Å
1361	I	73.8	Confident	83	Confident	64 Å²	64	38 Å²	38	33%	0.328	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-46.1	176.8	-48.4	172.7	0	0	0	109.4	L1365 H1367	I1361-L1365 HydrophobicContact CB-CD2 4.46Å; I1361-L1365 HydrophobicContact CD1-CD2 3.99Å; I1361-L1365 HydrophobicContact CD1-CG 4.1Å; I1361-L1365 PolarHBondContact N-O 2.66Å; I1361-H1367 VanDerWaalsContact CD1-CE1 3.5Å; I1361-H1367 WeakPolarHBondContact CD1-CE1 3.49Å; I1361-H1367 WeakPolarHBondContact CD1-NE2 3.34Å
1362	R	70.4	Confident	84	Confident	63 Å²	63	36 Å²	36	24%	0.238	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	167.7	177.4	59	178.3	175.1	97.3	-8.8	108.5	V1252 S1360 G1364 L1365	V1252-R1362 PolarHBondContact O-NH1 2.96Å; S1360-R1362 PolarHBondContact OG-O 3.08Å; R1362-G1364 PolarHBondContact O-N 3Å; R1362-L1365 HydrophobicContact CG-CB 3.75Å; R1362-L1365 HydrophobicContact CG-CD2 4.14Å; R1362-L1365 PolarHBondContact N-O 2.86Å; R1362-L1365 PolarHBondContact O-N 3.37Å; R1362-L1365 VanDerWaalsContact O-O 3.04Å
1363	P	71.2	Confident	84.5	Confident	22 Å²	22	34.9 Å²	34.9	14%	0.143	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	134.9	173.2	-26.1	34	0	0	0	111.4	V1252 D1272 T1274 L1365	V1252-P1363 HydrophobicContact CG1-CB 4.46Å; D1272-P1363 HydrophobicContact CB-CG 3.89Å; T1274-P1363 HydrophobicContact CG2-CB 3.78Å; P1363-L1365 VanDerWaalsContact C-N 3.31Å; P1363-L1365 PolarHBondContact O-N 3.16Å
1364	G	79.6	Confident	84.3	Confident	4 Å²	4	38.6 Å²	38.6	4%	0.041	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	3.3	-174.6	0	0	0	0	0	117.8	A1330 A1331 E1332 R1362	A1330-G1364 CarbonylContact C-O 3.53Å; A1330-G1364 WeakPolarHBondContact CA-O 3.25Å; A1331-G1364 PolarHBondContact N-O 2.76Å; A1331-G1364 CarbonylContact O-C 2.89Å; A1331-G1364 WeakPolarHBondContact O-CA 3.44Å; E1332-G1364 PolarHBondContact OE2-N 3.07Å; R1362-G1364 PolarHBondContact O-N 3Å
1365	L	82.3	Confident	84.1	Confident	10 Å²	10	37.8 Å²	37.8	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.7	-175.1	-164.2	75.7	0	0	0	114.2	L1179 V1282 V1328 I1329 A1330 I1361 R1362 P1363	L1179-L1365 HydrophobicContact CD1-CD2 4Å; V1282-L1365 HydrophobicContact CG2-CD1 4.46Å; V1328-L1365 HydrophobicContact CG1-CD1 3.73Å; V1328-L1365 HydrophobicContact CG1-CG 4.18Å; I1329-L1365 WeakPolarHBondContact O-CA 3.42Å; A1330-L1365 HydrophobicContact CB-CD1 4.02Å; I1361-L1365 HydrophobicContact CB-CD2 4.46Å; I1361-L1365 HydrophobicContact CD1-CD2 3.99Å; I1361-L1365 HydrophobicContact CD1-CG 4.1Å; I1361-L1365 PolarHBondContact N-O 2.66Å; R1362-L1365 HydrophobicContact CG-CB 3.75Å; R1362-L1365 HydrophobicContact CG-CD2 4.14Å; R1362-L1365 PolarHBondContact N-O 2.86Å; R1362-L1365 PolarHBondContact O-N 3.37Å; R1362-L1365 VanDerWaalsContact O-O 3.04Å; P1363-L1365 VanDerWaalsContact C-N 3.31Å; P1363-L1365 PolarHBondContact O-N 3.16Å
1366	Y	87.7	Confident	83.9	Confident	13 Å²	13	40.7 Å²	40.7	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.7	-171.5	-56.2	-100.5	0	0	0	112.4	V1328 I1329 A1331 N1334 P1335 V1358 K1359	V1328-Y1366 WeakPolarHBondContact CA-O 3.15Å; I1329-Y1366 PolarHBondContact N-O 2.7Å; I1329-Y1366 PolarHBondContact O-N 3.11Å; A1331-Y1366 WeakPolarHBondContact O-CE2 3.36Å; N1334-Y1366 HydrophobicContact CB-CE1 4.31Å; N1334-Y1366 PolarHBondContact OD1-OH 2.72Å; P1335-Y1366 HydrophobicContact CG-CD2 4.18Å; P1335-Y1366 HydrophobicContact CG-CG 4.21Å; V1358-Y1366 HydrophobicContact CG1-CD1 4.18Å; K1359-Y1366 CarbonylContact O-C 3.57Å; K1359-Y1366 VanDerWaalsContact O-CA 3.31Å; K1359-Y1366 WeakPolarHBondContact O-CA 3.17Å
1367	H	89.3	Confident	83.5	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.7	157.9	-73.6	140.2	0	0	0	110	W1287 T1326 C1327 V1358 K1359 I1361 I1369 D1461	W1287-H1367 AromaticContact CH2-CE1 3.71Å; W1287-H1367 AromaticContact CH2-NE2 3.03Å; W1287-H1367 WeakPolarHBondContact CH2-NE2 3.39Å; W1287-H1367 AromaticContact CZ2-NE2 3.66Å; W1287-H1367 AromaticContact CZ3-NE2 3.31Å; W1287-H1367 VanDerWaalsContact CZ3-NE2 3.31Å; W1287-H1367 WeakPolarHBondContact CZ3-NE2 3.48Å; T1326-H1367 HydrophobicContact CG2-CB 4.44Å; C1327-H1367 CarbonylContact O-C 3.57Å; C1327-H1367 WeakPolarHBondContact O-CA 3.34Å; V1358-H1367 CarbonylContact C-O 3.21Å; V1358-H1367 VanDerWaalsContact CA-O 3.31Å; V1358-H1367 WeakPolarHBondContact CA-O 3.5Å; K1359-H1367 HydrophobicContact CB-CB 4.5Å; K1359-H1367 PolarHBondContact N-O 2.82Å; K1359-H1367 PolarHBondContact O-N 2.98Å; I1361-H1367 VanDerWaalsContact CD1-CE1 3.5Å; I1361-H1367 WeakPolarHBondContact CD1-CE1 3.49Å; I1361-H1367 WeakPolarHBondContact CD1-NE2 3.34Å; H1367-I1369 HydrophobicContact CB-CD1 4.25Å; H1367-I1369 HydrophobicContact CB-CG1 4.02Å; H1367-D1461 PolarHBondContact CE1-O 3.42Å
1368	A	91.7	Very high	83.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.7	155.2	0	0	0	0	0	108.5	T1326 C1327 I1329 V1337 W1339 I1357 V1358	T1326-A1368 CarbonylContact C-O 3.56Å; T1326-A1368 WeakPolarHBondContact CA-O 3.21Å; C1327-A1368 HydrophobicContact CB-CB 4.41Å; C1327-A1368 PolarHBondContact N-O 3.01Å; C1327-A1368 PolarHBondContact O-N 2.95Å; I1329-A1368 HydrophobicContact CD1-CB 3.74Å; V1337-A1368 HydrophobicContact CB-CB 4.46Å; V1337-A1368 HydrophobicContact CG1-CB 3.87Å; V1337-A1368 HydrophobicContact CG2-CB 4.19Å; W1339-A1368 HydrophobicContact CZ2-CB 4.28Å; I1357-A1368 CarbonylContact O-C 3.55Å; I1357-A1368 WeakPolarHBondContact O-CA 3.33Å; V1358-A1368 HydrophobicContact CG2-CB 4.5Å
1369	I	91.7	Very high	83.1	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133	-172.7	-53.9	174.5	0	0	0	108.5	R1324 L1325 T1326 S1356 I1357 H1367 Y1371	R1324-I1369 HydrophobicContact CG-CG2 3.64Å; L1325-I1369 WeakPolarHBondContact O-CA 3.47Å; L1325-I1369 WeakPolarHBondContact O-CG2 3Å; T1326-I1369 HydrophobicContact CG2-CG1 4.36Å; S1356-I1369 CarbonylContact C-O 3.59Å; S1356-I1369 VanDerWaalsContact CA-O 3.31Å; S1356-I1369 WeakPolarHBondContact CA-O 3.36Å; I1357-I1369 PolarHBondContact N-O 2.9Å; I1357-I1369 PolarHBondContact O-N 3.24Å; H1367-I1369 HydrophobicContact CB-CD1 4.25Å; H1367-I1369 HydrophobicContact CB-CG1 4.02Å; I1369-Y1371 HydrophobicContact CB-CE2 4.38Å; I1369-Y1371 HydrophobicContact CG2-CD2 4.06Å; I1369-Y1371 HydrophobicContact CG2-CE1 4.32Å; I1369-Y1371 HydrophobicContact CG2-CE2 3.51Å
1370	L	91.9	Very high	83.3	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.9	171.9	171	66.1	0	0	0	109.2	L1325 W1339 L1348 F1354 H1355 L1372 Y1383	L1325-L1370 HydrophobicContact CB-CB 4.24Å; L1325-L1370 HydrophobicContact CD2-CD2 4.39Å; L1325-L1370 PolarHBondContact N-O 3.14Å; L1325-L1370 PolarHBondContact O-N 2.81Å; W1339-L1370 HydrophobicContact CB-CD2 4.15Å; W1339-L1370 HydrophobicContact CD2-CB 3.83Å; W1339-L1370 HydrophobicContact CD2-CD2 3.79Å; W1339-L1370 HydrophobicContact CD2-CG 4.38Å; W1339-L1370 VanDerWaalsContact CE2-CB 3.49Å; W1339-L1370 HydrophobicContact CE3-CB 4.28Å; W1339-L1370 HydrophobicContact CE3-CD2 3.91Å; W1339-L1370 HydrophobicContact CG-CB 4.3Å; W1339-L1370 HydrophobicContact CG-CD2 3.9Å; W1339-L1370 HydrophobicContact CH2-CB 4.13Å; W1339-L1370 HydrophobicContact CZ2-CB 3.67Å; W1339-L1370 HydrophobicContact CZ3-CB 4.41Å; L1348-L1370 HydrophobicContact CD1-CD2 3.82Å; F1354-L1370 HydrophobicContact CB-CD1 4.16Å; H1355-L1370 WeakPolarHBondContact O-CA 3.02Å; L1370-L1372 HydrophobicContact CD1-CD1 4.36Å; L1370-L1372 HydrophobicContact CD2-CD1 3.95Å; L1370-L1372 HydrophobicContact CG-CD1 3.75Å; L1370-Y1383 HydrophobicContact CD2-CD1 4.01Å; L1370-Y1383 HydrophobicContact CD2-CE1 4.32Å
1371	Y	89	Confident	83.6	Confident	62 Å²	62	42.8 Å²	42.8	24%	0.243	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.6	173.4	-66.5	-81.9	0	0	0	110.5	A1323 R1324 F1354 H1355 I1357 I1369	A1323-Y1371 WeakPolarHBondContact O-CA 3.4Å; R1324-Y1371 HydrophobicContact CB-CD1 4.26Å; R1324-Y1371 HydrophobicContact CB-CE1 4.05Å; R1324-Y1371 HydrophobicContact CG-CD1 4.37Å; R1324-Y1371 HydrophobicContact CG-CE1 3.83Å; F1354-Y1371 WeakPolarHBondContact CA-O 3.3Å; H1355-Y1371 PolarHBondContact N-O 2.76Å; H1355-Y1371 PolarHBondContact O-N 3.15Å; I1357-Y1371 HydrophobicContact CD1-CD2 4.33Å; I1357-Y1371 HydrophobicContact CD1-CE2 3.76Å; I1357-Y1371 HydrophobicContact CG1-CE2 4.36Å; I1369-Y1371 HydrophobicContact CB-CE2 4.38Å; I1369-Y1371 HydrophobicContact CG2-CD2 4.06Å; I1369-Y1371 HydrophobicContact CG2-CE1 4.32Å; I1369-Y1371 HydrophobicContact CG2-CE2 3.51Å
1372	L	88.7	Confident	84.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.4	167	-85.9	60.7	0	0	0	108.8	H1322 A1323 L1325 Q1353 F1354 L1370 P1375 D1379 L1400	H1322-L1372 CarbonylContact C-O 3.55Å; H1322-L1372 WeakPolarHBondContact CA-O 2.9Å; H1322-L1372 WeakPolarHBondContact CB-O 3Å; A1323-L1372 HydrophobicContact CB-CB 4.37Å; A1323-L1372 PolarHBondContact N-O 3.27Å; A1323-L1372 PolarHBondContact O-N 2.88Å; L1325-L1372 HydrophobicContact CD1-CD1 4.08Å; Q1353-L1372 WeakPolarHBondContact O-CA 3.14Å; F1354-L1372 HydrophobicContact CD1-CD1 3.77Å; F1354-L1372 HydrophobicContact CD1-CG 3.88Å; F1354-L1372 HydrophobicContact CE1-CD1 4.01Å; F1354-L1372 HydrophobicContact CE1-CD2 4.26Å; F1354-L1372 HydrophobicContact CE1-CG 3.76Å; L1370-L1372 HydrophobicContact CD1-CD1 4.36Å; L1370-L1372 HydrophobicContact CD2-CD1 3.95Å; L1370-L1372 HydrophobicContact CG-CD1 3.75Å; L1372-P1375 HydrophobicContact CB-CB 4.27Å; L1372-P1375 HydrophobicContact CD2-CB 4.38Å; L1372-D1379 HydrophobicContact CD2-CB 4.43Å; L1372-L1400 HydrophobicContact CD2-CD2 3.54Å
1373	I	83.9	Confident	85.5	Confident	57 Å²	57	41.8 Å²	41.8	29%	0.292	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.1	176.6	-58.1	169.2	0	0	0	108.8	I1317 Q1353	I1317-I1373 HydrophobicContact CG2-CD1 3.7Å; I1317-I1373 HydrophobicContact CG2-CG1 4.23Å; Q1353-I1373 WeakPolarHBondContact CG-O 3.13Å; Q1353-I1373 PolarHBondContact NE2-O 3.07Å; Q1353-I1373 PolarHBondContact O-N 2.91Å
1374	Q	79.6	Confident	86.5	Confident	130 Å²	130	42.9 Å²	42.9	61%	0.607	21%	0.213	S	C	*	.	S	Bend	trans	46.9	54.2	-179.8	-61.5	179.7	0.5	0	0	114	A1321 Q1376	A1321-Q1374 WeakPolarHBondContact O-CA 3.43Å; A1321-Q1374 PolarHBondContact O-N 2.6Å; Q1374-Q1376 PolarHBondContact O-N 3.15Å; Q1374-Q1376 PolarHBondContact O-NE2 3.45Å
1375	P	81.1	Confident	87.1	Confident	19 Å²	19	42.7 Å²	42.7	12%	0.123	21%	0.212	C	C	.	.			trans	-59.8	135	-177.2	26.5	-35.9	0	0	0	112.1	P1292 A1323 L1372	P1292-P1375 HydrophobicContact CB-CG 3.72Å; P1292-P1375 HydrophobicContact CG-CB 4.29Å; P1292-P1375 HydrophobicContact CG-CG 3.64Å; A1323-P1375 HydrophobicContact CB-CG 4.21Å; L1372-P1375 HydrophobicContact CB-CB 4.27Å; L1372-P1375 HydrophobicContact CD2-CB 4.38Å
1376	Q	81.6	Confident	87.6	Confident	106 Å²	106	44.9 Å²	44.9	50%	0.495	22%	0.221	S	C	.	.			trans	-96.3	167.6	-179.2	-58.8	-58.2	-57.2	0	0	111.6	Q1374 V1378 D1379	Q1374-Q1376 PolarHBondContact O-N 3.15Å; Q1374-Q1376 PolarHBondContact O-NE2 3.45Å; Q1376-V1378 HydrophobicContact CB-CG2 3.72Å; Q1376-V1378 PolarHBondContact O-N 3.19Å; Q1376-D1379 PolarHBondContact N-OD2 2.75Å; Q1376-D1379 WeakPolarHBondContact O-CB 3.42Å; Q1376-D1379 PolarHBondContact O-N 3.17Å
1377	E	78.3	Confident	87.9	Confident	132 Å²	132	44.3 Å²	44.3	62%	0.617	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-63.5	-27.7	173	-174.3	156.9	-129.9	0	0	112.1	D1379 M1380 R1402	E1377-D1379 PolarHBondContact O-N 2.94Å; E1377-M1380 VanDerWaalsContact O-CG 3.31Å; E1377-M1380 WeakPolarHBondContact O-CG 3.31Å; E1377-M1380 PolarHBondContact O-N 2.82Å; E1377-R1402 IonicContact OE1-CZ 2.71Å; E1377-R1402 IonicContact OE1-NH1 2.66Å; E1377-R1402 PolarHBondContact OE1-NH1 2.79Å
1378	V	83.9	Confident	88.1	Confident	117 Å²	117	48 Å²	48	71%	0.709	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-70.7	-8.5	171.2	-62.2	0	0	0	0	114.1	R1341 Q1376	R1341-V1378 PolarHBondContact NH2-O 3.38Å; Q1376-V1378 HydrophobicContact CB-CG2 3.72Å; Q1376-V1378 PolarHBondContact O-N 3.19Å
1379	D	86.3	Confident	88.1	Confident	11 Å²	11	49 Å²	49	6%	0.059	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-89.4	-17.3	176.1	-68.1	-45.6	0	0	0	113.7	R1341 Q1353 L1372 Q1376 E1377 Y1383 L1400	R1341-D1379 IonicContact CZ-OD1 3.76Å; R1341-D1379 IonicContact NH1-OD1 3.68Å; R1341-D1379 PolarHBondContact NH1-OD1 2.87Å; Q1353-D1379 PolarHBondContact NE2-OD2 2.85Å; L1372-D1379 HydrophobicContact CD2-CB 4.43Å; Q1376-D1379 PolarHBondContact N-OD2 2.75Å; Q1376-D1379 WeakPolarHBondContact O-CB 3.42Å; Q1376-D1379 PolarHBondContact O-N 3.17Å; E1377-D1379 PolarHBondContact O-N 2.94Å; D1379-Y1383 WeakPolarHBondContact O-CE2 3.46Å; D1379-Y1383 PolarHBondContact O-OH 3.04Å; D1379-L1400 HydrophobicContact CB-CD2 4.14Å
1380	M	86.7	Confident	87.9	Confident	50 Å²	50	56.7 Å²	56.7	25%	0.246	28%	0.28	C	S	.	.			trans	-57.1	137.9	179.3	-57.3	-65.6	150.4	0	0	111.1	P1292 E1377 L1400 I1401 R1402	P1292-M1380 HydrophobicContact CG-CE 3.88Å; E1377-M1380 VanDerWaalsContact O-CG 3.31Å; E1377-M1380 WeakPolarHBondContact O-CG 3.31Å; E1377-M1380 PolarHBondContact O-N 2.82Å; M1380-L1400 HydrophobicContact SD-CD2 4.47Å; M1380-L1400 HydrophobicContact SD-CG 4.06Å; M1380-I1401 VanDerWaalsContact SD-C 3.53Å; M1380-R1402 HydrophobicContact SD-CG 4.37Å
1381	G	87.3	Confident	87.6	Confident	29 Å²	29	60.4 Å²	60.4	30%	0.299	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.1	-159.3	-178.4	0	0	0	0	0	115	L1400	G1381-L1400 PolarHBondContact N-O 3.35Å; G1381-L1400 VanDerWaalsContact N-O 3.08Å; G1381-L1400 PolarHBondContact O-N 3.28Å
1382	R	91.4	Very high	87.7	Confident	107 Å²	107	58.8 Å²	58.8	40%	0.404	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.4	-168	-57.9	-171.9	-86.9	141.7	-3.4	110.9	E1342 F1384	E1342-R1382 HydrophobicContact CB-CB 4.31Å; E1342-R1382 PolarHBondContact N-O 2.81Å; E1342-R1382 VanDerWaalsContact N-O 3.16Å; E1342-R1382 IonicContact OE1-CZ 2.65Å; E1342-R1382 IonicContact OE1-NH1 3.23Å; E1342-R1382 PolarHBondContact OE1-NH1 2.79Å; E1342-R1382 IonicContact OE1-NH2 2.91Å; E1342-R1382 PolarHBondContact OE1-NH2 2.89Å; E1342-R1382 VanDerWaalsContact OE2-CB 3.28Å; E1342-R1382 WeakPolarHBondContact OE2-CB 3.43Å; E1342-R1382 WeakPolarHBondContact OE2-CD 3.41Å; E1342-R1382 IonicContact OE2-CZ 3.92Å; E1342-R1382 IonicContact OE2-NE 2.71Å; E1342-R1382 PolarHBondContact OE2-NE 3.34Å; E1342-R1382 IonicContact OE2-NH1 2.62Å; E1342-R1382 PolarHBondContact OE2-NH1 3.33Å; E1342-R1382 IonicContact OE2-NH2 3.59Å; R1382-F1384 HydrophobicContact CB-CE2 4.22Å
1383	Y	92.5	Very high	87.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.7	178	-71.7	-109	0	0	0	109.6	L1325 L1340 R1341 L1348 L1370 D1379 R1397 V1398 L1400	L1325-Y1383 HydrophobicContact CD2-CD1 3.88Å; L1325-Y1383 HydrophobicContact CD2-CD2 3.86Å; L1325-Y1383 HydrophobicContact CD2-CG 3.5Å; L1325-Y1383 VanDerWaalsContact CD2-CG 3.5Å; L1340-Y1383 CarbonylContact O-C 3.49Å; L1340-Y1383 WeakPolarHBondContact O-CA 3.45Å; R1341-Y1383 HydrophobicContact CG-CE1 4.33Å; R1341-Y1383 PolarHBondContact NH1-OH 3.17Å; L1348-Y1383 HydrophobicContact CD1-CD1 3.73Å; L1348-Y1383 HydrophobicContact CD1-CE1 3.63Å; L1370-Y1383 HydrophobicContact CD2-CD1 4.01Å; L1370-Y1383 HydrophobicContact CD2-CE1 4.32Å; D1379-Y1383 WeakPolarHBondContact O-CE2 3.46Å; D1379-Y1383 PolarHBondContact O-OH 3.04Å; Y1383-R1397 CarbonylContact O-C 3.56Å; Y1383-R1397 WeakPolarHBondContact O-CA 3.21Å; Y1383-V1398 WeakPolarHBondContact CB-O 3.36Å; Y1383-V1398 PolarHBondContact N-O 2.93Å; Y1383-V1398 PolarHBondContact O-N 2.88Å; Y1383-V1398 VanDerWaalsContact O-O 3.11Å; Y1383-L1400 HydrophobicContact CD2-CB 4.22Å; Y1383-L1400 HydrophobicContact CE2-CB 3.99Å; Y1383-L1400 HydrophobicContact CE2-CD2 4.23Å
1384	F	92	Very high	88.3	Confident	45 Å²	45	63.8 Å²	63.8	20%	0.197	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143	177	-58.5	-106.5	0	0	0	111	W1339 L1340 E1342 R1382 G1396 R1397	W1339-F1384 CarbonylContact C-O 3.53Å; W1339-F1384 VanDerWaalsContact CA-O 3.28Å; W1339-F1384 WeakPolarHBondContact CA-O 3.3Å; L1340-F1384 HydrophobicContact CB-CB 4.23Å; L1340-F1384 PolarHBondContact N-O 3.18Å; L1340-F1384 PolarHBondContact O-N 3.44Å; E1342-F1384 HydrophobicContact CB-CE2 4.46Å; E1342-F1384 HydrophobicContact CG-CE2 3.77Å; E1342-F1384 HydrophobicContact CG-CZ 4.41Å; E1342-F1384 WeakPolarHBondContact OE2-CE2 3.48Å; E1342-F1384 VanDerWaalsContact OE2-CZ 3.23Å; E1342-F1384 WeakPolarHBondContact OE2-CZ 3.42Å; R1382-F1384 HydrophobicContact CB-CE2 4.22Å; F1384-G1396 CarbonylContact C-O 3.42Å; F1384-G1396 WeakPolarHBondContact CA-O 3.34Å; F1384-G1396 VanDerWaalsContact CB-O 3.3Å; F1384-G1396 WeakPolarHBondContact CB-O 3.15Å; F1384-R1397 HydrophobicContact CD1-CB 3.82Å; F1384-R1397 HydrophobicContact CD1-CG 4.37Å; F1384-R1397 HydrophobicContact CE1-CB 3.76Å; F1384-R1397 HydrophobicContact CE1-CG 4.03Å; F1384-R1397 HydrophobicContact CZ-CB 4.42Å; F1384-R1397 HydrophobicContact CZ-CG 4.18Å
1385	C	93.1	Very high	88.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.7	170.4	52.1	0	0	0	0	108.4	I1281 C1327 W1339 T1395 G1396	I1281-C1385 WeakPolarHBondContact CD1-O 3.25Å; C1327-C1385 HydrophobicContact CB-CB 3.78Å; C1327-C1385 WeakPolarHBondContact CB-SG 2.89Å; C1327-C1385 WeakPolarHBondContact SG-CB 3.19Å; C1327-C1385 CovalentContact SG-SG 2.03Å; C1327-C1385 PolarHBondContact SG-SG 2.92Å; W1339-C1385 HydrophobicContact CD2-CB 4.21Å; W1339-C1385 HydrophobicContact CE3-CB 3.94Å; W1339-C1385 HydrophobicContact CH2-CB 3.94Å; W1339-C1385 HydrophobicContact CZ2-CB 4.19Å; W1339-C1385 HydrophobicContact CZ3-CB 3.81Å; C1385-T1395 WeakPolarHBondContact O-CA 3.47Å; C1385-G1396 PolarHBondContact N-O 2.72Å; C1385-G1396 PolarHBondContact O-N 3.3Å
1386	K	93.1	Very high	89.3	Confident	56 Å²	56	61.2 Å²	61.2	24%	0.243	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.7	171.4	-177.3	167.6	-175.1	179	0	108.8	V1337 H1338 E1393 D1394 T1395	V1337-K1386 CarbonylContact C-O 3.59Å; V1337-K1386 VanDerWaalsContact CA-O 3.29Å; V1337-K1386 WeakPolarHBondContact CA-O 2.96Å; H1338-K1386 PolarHBondContact N-O 2.9Å; H1338-K1386 PolarHBondContact O-N 3.48Å; K1386-E1393 WeakPolarHBondContact CE-OE1 3.31Å; K1386-E1393 WeakPolarHBondContact CE-OE2 3.36Å; K1386-E1393 IonicContact NZ-OE1 3.8Å; K1386-E1393 PolarHBondContact NZ-OE1 2.97Å; K1386-E1393 IonicContact NZ-OE2 3.03Å; K1386-E1393 PolarHBondContact NZ-OE2 3.11Å; K1386-D1394 CarbonylContact C-O 3.33Å; K1386-D1394 WeakPolarHBondContact CA-O 3.34Å; K1386-T1395 HydrophobicContact CB-CG2 3.83Å; K1386-T1395 HydrophobicContact CD-CG2 3.99Å; K1386-T1395 HydrophobicContact CG-CG2 3.69Å
1387	A	93.7	Very high	89.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141	-179.6	0	0	0	0	0	110.9	P1279 I1281 I1329 P1335 E1336 V1337 E1393 D1394	P1279-A1387 HydrophobicContact CB-CB 4.06Å; I1281-A1387 HydrophobicContact CD1-CB 4.15Å; I1281-A1387 HydrophobicContact CG1-CB 4.37Å; I1329-A1387 HydrophobicContact CD1-CB 3.73Å; I1329-A1387 HydrophobicContact CG1-CB 4.01Å; I1329-A1387 HydrophobicContact CG2-CB 3.87Å; P1335-A1387 HydrophobicContact CB-CB 4.35Å; E1336-A1387 CarbonylContact O-C 3.05Å; E1336-A1387 WeakPolarHBondContact O-CA 3.39Å; V1337-A1387 HydrophobicContact CG2-CB 4.39Å; A1387-E1393 CarbonylContact O-C 3.5Å; A1387-E1393 WeakPolarHBondContact O-CA 3.49Å; A1387-E1393 WeakPolarHBondContact O-CB 3.28Å; A1387-D1394 PolarHBondContact N-O 3.3Å; A1387-D1394 PolarHBondContact O-N 2.98Å
1388	K	93.1	Very high	90.3	Very high	80 Å²	80	55.5 Å²	55.5	35%	0.348	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.9	-174.9	170.3	162.8	149.6	-87	0	111.2	P1335 E1336 G1392 E1393	P1335-K1388 CarbonylContact C-O 3.6Å; P1335-K1388 WeakPolarHBondContact CA-O 3.39Å; E1336-K1388 PolarHBondContact N-O 2.83Å; E1336-K1388 PolarHBondContact O-N 3.21Å; E1336-K1388 IonicContact OE2-NZ 3.91Å; E1336-K1388 PolarHBondContact OE2-NZ 3.34Å; K1388-G1392 WeakPolarHBondContact CA-O 3.32Å; K1388-E1393 HydrophobicContact CB-CB 3.94Å; K1388-E1393 HydrophobicContact CG-CB 4.28Å
1389	N	90.8	Very high	90.6	Very high	19 Å²	19	51.8 Å²	51.8	10%	0.102	27%	0.269	C	S	.	.			trans	-137.6	-169	169.2	79.8	3.4	0	0	0	110.8	F1277 P1279 P1333 V1391 G1392	F1277-N1389 PolarHBondContact O-ND2 2.97Å; P1279-N1389 WeakPolarHBondContact CD-OD1 3.04Å; P1279-N1389 HydrophobicContact CG-CB 4.12Å; P1333-N1389 WeakPolarHBondContact O-CB 3.2Å; P1333-N1389 PolarHBondContact O-ND2 3.18Å; N1389-V1391 PolarHBondContact O-N 2.88Å; N1389-V1391 VanDerWaalsContact O-N 3.15Å; N1389-V1391 WeakPolarHBondContact OD1-CA 3.17Å; N1389-V1391 WeakPolarHBondContact OD1-CB 3.37Å; N1389-V1391 PolarHBondContact OD1-N 3.14Å; N1389-G1392 PolarHBondContact N-O 2.9Å; N1389-G1392 PolarHBondContact OD1-N 2.95Å
1390	L	87.8	Confident	90.9	Very high	167 Å²	167	51.4 Å²	51.4	87%	0.874	27%	0.267	S	S	*	.	S	Bend	trans	-68	-6.9	-178.9	-62.6	178.6	0	0	0	114.7	P1333	P1333-L1390 HydrophobicContact CG-CD1 4.31Å; P1333-L1390 HydrophobicContact CG-CG 4.45Å
1391	V	86.9	Confident	91.1	Very high	81 Å²	81	51.4 Å²	51.4	49%	0.491	27%	0.267	S	S	.	.	S	Bend	trans	-114.8	-22.1	-174.6	-166.8	0	0	0	0	112.1	A1278 N1389	A1278-V1391 HydrophobicContact CB-CB 4.14Å; A1278-V1391 HydrophobicContact CB-CG1 4.08Å; N1389-V1391 PolarHBondContact O-N 2.88Å; N1389-V1391 VanDerWaalsContact O-N 3.15Å; N1389-V1391 WeakPolarHBondContact OD1-CA 3.17Å; N1389-V1391 WeakPolarHBondContact OD1-CB 3.37Å; N1389-V1391 PolarHBondContact OD1-N 3.14Å
1392	G	89.8	Confident	91.1	Very high	28 Å²	28	58 Å²	58	29%	0.289	28%	0.283	S	S	.	.			trans	173.8	-165.4	175.9	0	0	0	0	0	114.6	P1279 K1388 N1389	P1279-G1392 WeakPolarHBondContact CD-O 3.4Å; K1388-G1392 WeakPolarHBondContact CA-O 3.32Å; N1389-G1392 PolarHBondContact N-O 2.9Å; N1389-G1392 PolarHBondContact OD1-N 2.95Å
1393	E	94.1	Very high	90.8	Very high	108 Å²	108	54.7 Å²	54.7	51%	0.505	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.2	176.4	58.4	168.9	-137.9	0	0	112.7	K1386 A1387 K1388	K1386-E1393 WeakPolarHBondContact CE-OE1 3.31Å; K1386-E1393 WeakPolarHBondContact CE-OE2 3.36Å; K1386-E1393 IonicContact NZ-OE1 3.8Å; K1386-E1393 PolarHBondContact NZ-OE1 2.97Å; K1386-E1393 IonicContact NZ-OE2 3.03Å; K1386-E1393 PolarHBondContact NZ-OE2 3.11Å; A1387-E1393 CarbonylContact O-C 3.5Å; A1387-E1393 WeakPolarHBondContact O-CA 3.49Å; A1387-E1393 WeakPolarHBondContact O-CB 3.28Å; K1388-E1393 HydrophobicContact CB-CB 3.94Å; K1388-E1393 HydrophobicContact CG-CB 4.28Å
1394	D	92.3	Very high	90.5	Very high	54 Å²	54	57.1 Å²	57.1	29%	0.289	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.3	179.8	-169.8	17.3	0	0	0	111.9	P1279 R1280 I1281 K1386 A1387	P1279-D1394 WeakPolarHBondContact O-CB 3.36Å; R1280-D1394 WeakPolarHBondContact CA-OD2 3.43Å; I1281-D1394 HydrophobicContact CD1-CB 4.46Å; I1281-D1394 PolarHBondContact N-OD2 2.9Å; K1386-D1394 CarbonylContact C-O 3.33Å; K1386-D1394 WeakPolarHBondContact CA-O 3.34Å; A1387-D1394 PolarHBondContact N-O 3.3Å; A1387-D1394 PolarHBondContact O-N 2.98Å
1395	T	92.4	Very high	90.2	Very high	81 Å²	81	58.9 Å²	58.9	50%	0.497	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129.2	-177.1	50.4	0	0	0	0	113.5	C1385 K1386	C1385-T1395 WeakPolarHBondContact O-CA 3.47Å; K1386-T1395 HydrophobicContact CB-CG2 3.83Å; K1386-T1395 HydrophobicContact CD-CG2 3.99Å; K1386-T1395 HydrophobicContact CG-CG2 3.69Å
1396	G	87.7	Confident	90.1	Very high	14 Å²	14	59.2 Å²	59.2	14%	0.144	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	171.6	176.6	0	0	0	0	0	113.4	I1281 F1384 C1385	I1281-G1396 VanDerWaalsContact CD1-N 3.3Å; F1384-G1396 CarbonylContact C-O 3.42Å; F1384-G1396 WeakPolarHBondContact CA-O 3.34Å; F1384-G1396 VanDerWaalsContact CB-O 3.3Å; F1384-G1396 WeakPolarHBondContact CB-O 3.15Å; C1385-G1396 PolarHBondContact N-O 2.72Å; C1385-G1396 PolarHBondContact O-N 3.3Å
1397	R	90.8	Very high	89.9	Confident	117 Å²	117	58.9 Å²	58.9	44%	0.442	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	144.2	-167.7	176.5	175.2	157.1	-168.6	-13.4	113.3	Y1383 F1384 D1399	Y1383-R1397 CarbonylContact O-C 3.56Å; Y1383-R1397 WeakPolarHBondContact O-CA 3.21Å; F1384-R1397 HydrophobicContact CD1-CB 3.82Å; F1384-R1397 HydrophobicContact CD1-CG 4.37Å; F1384-R1397 HydrophobicContact CE1-CB 3.76Å; F1384-R1397 HydrophobicContact CE1-CG 4.03Å; F1384-R1397 HydrophobicContact CZ-CB 4.42Å; F1384-R1397 HydrophobicContact CZ-CG 4.18Å; R1397-D1399 IonicContact CZ-OD1 3.48Å; R1397-D1399 VanDerWaalsContact CZ-OD1 3.3Å; R1397-D1399 IonicContact CZ-OD2 3.65Å; R1397-D1399 IonicContact NE-OD1 3.33Å; R1397-D1399 PolarHBondContact NE-OD1 2.78Å; R1397-D1399 IonicContact NE-OD2 2.81Å; R1397-D1399 VanDerWaalsContact NH2-CG 3.29Å; R1397-D1399 IonicContact NH2-OD1 3.94Å; R1397-D1399 PolarHBondContact NH2-OD1 2.83Å; R1397-D1399 IonicContact NH2-OD2 3.88Å; R1397-D1399 PolarHBondContact NH2-OD2 2.91Å
1398	V	90.8	Very high	89.6	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133	169.8	-177.6	0	0	0	0	109.2	W1287 S1288 A1290 L1325 T1326 W1339 Y1383	W1287-V1398 WeakPolarHBondContact O-CG1 2.95Å; S1288-V1398 WeakPolarHBondContact O-CA 3.42Å; A1290-V1398 HydrophobicContact CB-CG1 4.26Å; L1325-V1398 HydrophobicContact CB-CG1 3.98Å; L1325-V1398 HydrophobicContact CD2-CB 4.27Å; L1325-V1398 HydrophobicContact CD2-CG1 4.05Å; L1325-V1398 HydrophobicContact CG-CB 4.48Å; L1325-V1398 HydrophobicContact CG-CG1 3.79Å; T1326-V1398 WeakPolarHBondContact O-CG2 3.22Å; W1339-V1398 HydrophobicContact CZ3-CG2 4.33Å; Y1383-V1398 WeakPolarHBondContact CB-O 3.36Å; Y1383-V1398 PolarHBondContact N-O 2.93Å; Y1383-V1398 PolarHBondContact O-N 2.88Å; Y1383-V1398 VanDerWaalsContact O-O 3.11Å
1399	D	91.1	Very high	89.4	Confident	39 Å²	39	58.9 Å²	58.9	21%	0.209	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.6	178.1	-70.4	-15.1	0	0	0	111.7	S1288 R1289 A1290 R1397 I1401	S1288-D1399 PolarHBondContact O-N 2.8Å; R1289-D1399 CarbonylContact C-O 3.56Å; R1289-D1399 WeakPolarHBondContact CA-O 3.17Å; A1290-D1399 PolarHBondContact N-O 2.84Å; R1397-D1399 IonicContact CZ-OD1 3.48Å; R1397-D1399 VanDerWaalsContact CZ-OD1 3.3Å; R1397-D1399 IonicContact CZ-OD2 3.65Å; R1397-D1399 IonicContact NE-OD1 3.33Å; R1397-D1399 PolarHBondContact NE-OD1 2.78Å; R1397-D1399 IonicContact NE-OD2 2.81Å; R1397-D1399 VanDerWaalsContact NH2-CG 3.29Å; R1397-D1399 IonicContact NH2-OD1 3.94Å; R1397-D1399 PolarHBondContact NH2-OD1 2.83Å; R1397-D1399 IonicContact NH2-OD2 3.88Å; R1397-D1399 PolarHBondContact NH2-OD2 2.91Å; D1399-I1401 HydrophobicContact CB-CG2 4.32Å
1400	L	92	Very high	89	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.4	170.1	-176.9	67.5	0	0	0	109.8	A1290 A1323 L1325 L1372 D1379 M1380 G1381 Y1383	A1290-L1400 HydrophobicContact CB-CD1 4.21Å; A1290-L1400 WeakPolarHBondContact O-CA 3.26Å; A1323-L1400 HydrophobicContact CB-CD1 3.68Å; L1325-L1400 HydrophobicContact CD1-CD1 4.16Å; L1372-L1400 HydrophobicContact CD2-CD2 3.54Å; D1379-L1400 HydrophobicContact CB-CD2 4.14Å; M1380-L1400 HydrophobicContact SD-CD2 4.47Å; M1380-L1400 HydrophobicContact SD-CG 4.06Å; G1381-L1400 PolarHBondContact N-O 3.35Å; G1381-L1400 VanDerWaalsContact N-O 3.08Å; G1381-L1400 PolarHBondContact O-N 3.28Å; Y1383-L1400 HydrophobicContact CD2-CB 4.22Å; Y1383-L1400 HydrophobicContact CE2-CB 3.99Å; Y1383-L1400 HydrophobicContact CE2-CD2 4.23Å
1401	I	90	Very high	88.3	Confident	50 Å²	50	54.6 Å²	54.6	26%	0.256	29%	0.291	S	S	.	.			trans	-125	167	-174.8	62.6	168.2	0	0	0	112.4	R1289 A1290 A1291 P1292 M1380 D1399 F1430	R1289-I1401 HydrophobicContact CB-CD1 4.48Å; A1290-I1401 WeakPolarHBondContact O-CG1 3.35Å; A1290-I1401 PolarHBondContact O-N 2.82Å; A1291-I1401 WeakPolarHBondContact CA-O 3.26Å; A1291-I1401 HydrophobicContact CB-CG1 4.32Å; A1291-I1401 VanDerWaalsContact CB-O 3.31Å; A1291-I1401 WeakPolarHBondContact CB-O 3.18Å; P1292-I1401 WeakPolarHBondContact CD-O 3.38Å; M1380-I1401 VanDerWaalsContact SD-C 3.53Å; D1399-I1401 HydrophobicContact CB-CG2 4.32Å; I1401-F1430 HydrophobicContact CD1-CE1 4.02Å; I1401-F1430 HydrophobicContact CD1-CZ 4.29Å; I1401-F1430 HydrophobicContact CG1-CZ 4.44Å
1402	R	87	Confident	87.9	Confident	166 Å²	166	52.6 Å²	52.6	63%	0.626	28%	0.28	S	S	*	.			trans	-68	149.1	171.3	-70.8	-175.6	-74.1	-123.3	-1.5	110.6	E1377 M1380	E1377-R1402 IonicContact OE1-CZ 2.71Å; E1377-R1402 IonicContact OE1-NH1 2.66Å; E1377-R1402 PolarHBondContact OE1-NH1 2.79Å; M1380-R1402 HydrophobicContact SD-CG 4.37Å
1403	P	85.2	Confident	87.3	Confident	39 Å²	39	57 Å²	57	25%	0.253	29%	0.288	S	S	.	.			trans	-62.2	151	-176	-27.9	39.2	0	0	0	115.1	A1291 P1292 I1294 G1432 L1488	A1291-P1403 HydrophobicContact CB-CG 4.34Å; P1292-P1403 VanDerWaalsContact O-CG 3.29Å; P1292-P1403 WeakPolarHBondContact O-CG 3.23Å; I1294-P1403 HydrophobicContact CD1-CG 3.86Å; I1294-P1403 HydrophobicContact CG1-CG 4.16Å; P1403-G1432 CarbonylContact C-O 3.6Å; P1403-G1432 WeakPolarHBondContact CA-O 3.23Å; P1403-G1432 WeakPolarHBondContact CB-O 3.38Å; P1403-L1488 HydrophobicContact CB-CD1 3.56Å
1404	T	87.2	Confident	86.2	Confident	51 Å²	51	55 Å²	55	31%	0.313	28%	0.28	S	S	.	.			trans	-139.9	-179.7	-173.2	64.9	0	0	0	0	112.7	G1432 N1486	T1404-G1432 PolarHBondContact N-O 2.97Å; T1404-G1432 WeakPolarHBondContact OG1-CA 3.46Å; T1404-N1486 PolarHBondContact O-ND2 3.03Å
1405	Q	85.5	Confident	84.8	Confident	81 Å²	81	57.1 Å²	57.1	38%	0.379	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-61.7	153.2	157.8	-166.5	167.4	27.9	0	0	110.2	T1489 S1490 T1492	Q1405-T1489 WeakPolarHBondContact CA-OG1 3.31Å; Q1405-T1489 HydrophobicContact CB-CG2 3.86Å; Q1405-T1489 HydrophobicContact CG-CG2 4.32Å; Q1405-S1490 PolarHBondContact NE2-O 2.89Å; Q1405-T1492 HydrophobicContact CG-CG2 4.42Å
1406	P	90.1	Very high	83.4	Confident	7 Å²	7	57.6 Å²	57.6	5%	0.045	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-64.8	155.5	168.9	-19.3	33.1	0	0	0	112.2	F1430 Q1436 A1484 N1486 T1489	P1406-F1430 CarbonylContact C-O 3.54Å; P1406-F1430 VanDerWaalsContact CA-O 3.25Å; P1406-F1430 WeakPolarHBondContact CA-O 3.16Å; P1406-Q1436 HydrophobicContact CB-CB 4.45Å; P1406-Q1436 HydrophobicContact CG-CB 4.14Å; P1406-A1484 HydrophobicContact CB-CB 4.1Å; P1406-N1486 WeakPolarHBondContact CD-ND2 3.32Å; P1406-N1486 HydrophobicContact CG-CB 3.83Å; P1406-T1489 WeakPolarHBondContact CD-OG1 3.3Å
1407	D	89.7	Confident	81.9	Confident	49 Å²	49	58.7 Å²	58.7	26%	0.262	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-67.2	155.2	164.8	-65.9	-21.8	0	0	0	110.8	R1289 F1430	R1289-D1407 IonicContact CZ-OD1 2.76Å; R1289-D1407 IonicContact NH1-OD1 3.75Å; R1289-D1407 IonicContact NH2-OD1 3.64Å; R1289-D1407 PolarHBondContact NH2-OD1 3.16Å; R1289-D1407 IonicContact NH2-OD2 2.69Å; R1289-D1407 PolarHBondContact NH2-OD2 2.94Å; D1407-F1430 PolarHBondContact N-O 3.49Å; D1407-F1430 WeakPolarHBondContact OD2-CB 3.42Å; D1407-F1430 PolarHBondContact OD2-N 2.9Å; D1407-F1430 VanDerWaalsContact OD2-N 3.14Å
1408	L	87.7	Confident	80.9	Confident	77 Å²	77	54.2 Å²	54.2	40%	0.403	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-61.7	136	170.1	-171.9	70.5	0	0	0	110.9	S1493	L1408-S1493 WeakPolarHBondContact CD1-O 3.4Å
1409	P	88.5	Confident	79.9	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.026	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-59.6	153	170.6	-18.9	30.9	0	0	0	111.5	F1438 V1482 A1484 T1495	P1409-F1438 HydrophobicContact CB-CD1 4.46Å; P1409-F1438 HydrophobicContact CB-CE1 4.38Å; P1409-F1438 HydrophobicContact CG-CD1 3.82Å; P1409-F1438 HydrophobicContact CG-CE1 3.9Å; P1409-V1482 HydrophobicContact CB-CG1 3.87Å; P1409-V1482 HydrophobicContact CG-CG1 4.2Å; P1409-V1482 HydrophobicContact CG-CG2 4.36Å; P1409-A1484 HydrophobicContact CG-CB 4.07Å; P1409-T1495 HydrophobicContact CB-CG2 4.19Å; P1409-T1495 VanDerWaalsContact O-CG2 3.31Å; P1409-T1495 WeakPolarHBondContact O-CG2 3.07Å
1410	S	81.8	Confident	79.3	Confident	54 Å²	54	55.1 Å²	55.1	38%	0.378	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	161.1	-176	65.2	0	0	0	0	113.5	T1427	S1410-T1427 PolarHBondContact N-O 3.47Å; S1410-T1427 PolarHBondContact O-N 3.34Å
1411	S	74.6	Confident	78.8	Confident	41 Å²	41	56 Å²	56	29%	0.287	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.6	53.1	177.5	-77.4	0	0	0	0	116.4	V1180 R1413	V1180-S1411 WeakPolarHBondContact CG1-OG 2.99Å; S1411-R1413 WeakPolarHBondContact O-CG 3.28Å; S1411-R1413 PolarHBondContact O-N 2.91Å; S1411-R1413 PolarHBondContact OG-NH2 3.15Å
1412	P	78.7	Confident	78.4	Confident	39 Å²	39	53.6 Å²	53.6	25%	0.253	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	131.3	170.2	28.4	-34.5	0	0	0	111.4	S1425	P1412-S1425 CarbonylContact C-O 3.52Å; P1412-S1425 VanDerWaalsContact CA-O 3.32Å; P1412-S1425 WeakPolarHBondContact CA-O 3.2Å
1413	R	76.9	Confident	78.2	Confident	120 Å²	120	46.8 Å²	46.8	45%	0.453	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	145.9	-171.5	-68.9	166.8	-166.7	-117.1	-9.2	112	V1180 S1411 V1424 S1425	V1180-R1413 VanDerWaalsContact CG1-NH2 3.26Å; S1411-R1413 WeakPolarHBondContact O-CG 3.28Å; S1411-R1413 PolarHBondContact O-N 2.91Å; S1411-R1413 PolarHBondContact OG-NH2 3.15Å; R1413-V1424 CarbonylContact O-C 3.44Å; R1413-V1424 WeakPolarHBondContact O-CA 3.38Å; R1413-S1425 PolarHBondContact N-O 2.77Å; R1413-S1425 PolarHBondContact O-N 3.24Å; R1413-S1425 PolarHBondContact O-OG 2.84Å
1414	L	70.8	Confident	78	Confident	66 Å²	66	45.1 Å²	45.1	35%	0.346	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.2	169.1	-171.6	68	0	0	0	109.8	N1416 L1422 V1424 L1498 A1500	L1414-N1416 WeakPolarHBondContact CD1-O 3.39Å; L1414-L1422 HydrophobicContact CD1-CB 4.14Å; L1414-L1422 HydrophobicContact CD1-CD2 4.07Å; L1414-V1424 HydrophobicContact CD1-CG2 4.24Å; L1414-L1498 HydrophobicContact CB-CD2 4.23Å; L1414-A1500 HydrophobicContact CD1-CB 3.89Å; L1414-A1500 HydrophobicContact CD2-CB 3.9Å; L1414-A1500 HydrophobicContact CG-CB 4.39Å
1415	L	62.1	Low	77.9	Confident	99 Å²	99	43 Å²	43	52%	0.518	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-31.1	178.7	-61.5	-175.7	0	0	0	113.3	T1423 T1466	L1415-T1423 HydrophobicContact CB-CG2 4.14Å; L1415-T1423 HydrophobicContact CD1-CG2 4.42Å; L1415-T1423 PolarHBondContact N-O 2.83Å; L1415-T1466 HydrophobicContact CD1-CG2 3.81Å
1416	N	62.3	Low	77.9	Confident	92 Å²	92	39.2 Å²	39.2	49%	0.492	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	153.8	177.5	-168.4	32.7	0	0	0	110.8	L1414 T1423	L1414-N1416 WeakPolarHBondContact CD1-O 3.39Å; N1416-T1423 PolarHBondContact O-N 2.88Å
1417	A	56.4	Low	77.7	Confident	37 Å²	37	39.5 Å²	39.5	31%	0.306	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.5	172.2	0	0	0	0	0	110.1	L1422	A1417-L1422 HydrophobicContact CB-CD2 3.63Å
1418	T	71.6	Confident	77.6	Confident	22 Å²	22	37.4 Å²	37.4	14%	0.135	21%	0.211	C	C	.	.			trans	-120.7	-170.6	166.8	76.3	0	0	0	0	108.9	T1420 S1421 T1502 S1503	T1418-T1420 PolarHBondContact O-N 3.33Å; T1418-T1420 PolarHBondContact OG1-N 2.99Å; T1418-S1421 WeakPolarHBondContact CG2-OG 3.43Å; T1418-S1421 PolarHBondContact N-O 2.71Å; T1418-S1421 PolarHBondContact OG1-N 2.85Å; T1418-S1421 PolarHBondContact OG1-OG 2.71Å; T1418-T1502 CarbonylContact O-C 3.57Å; T1418-T1502 WeakPolarHBondContact O-CA 3.49Å; T1418-T1502 WeakPolarHBondContact O-CB 3.35Å; T1418-S1503 PolarHBondContact O-N 3.32Å
1419	S	68.5	Low	77.6	Confident	3 Å²	3	34 Å²	34	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-66.6	-24.4	173.4	52.9	0	0	0	0	114.1	Q1473 K1474 T1502 S1503 F1505 D1506	S1419-Q1473 CarbonylContact O-C 3.56Å; S1419-K1474 VanDerWaalsContact O-CA 3.31Å; S1419-K1474 WeakPolarHBondContact O-CA 3.26Å; S1419-T1502 WeakPolarHBondContact O-CB 3.37Å; S1419-S1503 WeakPolarHBondContact CA-O 3.43Å; S1419-S1503 WeakPolarHBondContact CA-OG 3.23Å; S1419-S1503 PolarHBondContact N-OG 2.63Å; S1419-F1505 WeakPolarHBondContact CB-O 3.39Å; S1419-D1506 WeakPolarHBondContact CB-OD1 3.37Å; S1419-D1506 WeakPolarHBondContact OG-CA 3.26Å; S1419-D1506 PolarHBondContact OG-OD1 3.12Å
1420	T	78.1	Confident	77.7	Confident	57 Å²	57	34 Å²	34	35%	0.35	20%	0.195	S	C	.	.	S	Bend	trans	-136.4	9.2	-169.8	56	0	0	0	0	113.1	T1418 T1470 G1471 L1472 K1474	T1418-T1420 PolarHBondContact O-N 3.33Å; T1418-T1420 PolarHBondContact OG1-N 2.99Å; T1420-T1470 CarbonylContact O-C 3.55Å; T1420-T1470 WeakPolarHBondContact O-CA 3.37Å; T1420-G1471 PolarHBondContact O-N 2.9Å; T1420-L1472 WeakPolarHBondContact CA-O 3.34Å; T1420-L1472 PolarHBondContact O-N 3.17Å; T1420-K1474 HydrophobicContact CG2-CG 4.3Å
1421	S	82.2	Confident	78	Confident	21 Å²	21	32.7 Å²	32.7	15%	0.147	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150.9	178.5	68.2	0	0	0	0	114.2	T1418 I1469	T1418-S1421 WeakPolarHBondContact CG2-OG 3.43Å; T1418-S1421 PolarHBondContact N-O 2.71Å; T1418-S1421 PolarHBondContact OG1-N 2.85Å; T1418-S1421 PolarHBondContact OG1-OG 2.71Å; S1421-I1469 CarbonylContact C-O 3.6Å; S1421-I1469 WeakPolarHBondContact CA-O 3.32Å; S1421-I1469 WeakPolarHBondContact CB-O 3.39Å
1422	L	81.7	Confident	78.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.6	175.7	-64.8	174	0	0	0	109.1	L1414 A1417 I1469 L1472 Y1478 A1500 T1502	L1414-L1422 HydrophobicContact CD1-CB 4.14Å; L1414-L1422 HydrophobicContact CD1-CD2 4.07Å; A1417-L1422 HydrophobicContact CB-CD2 3.63Å; L1422-I1469 PolarHBondContact N-O 2.65Å; L1422-I1469 PolarHBondContact O-N 2.04Å; L1422-L1472 HydrophobicContact CB-CD1 3.98Å; L1422-L1472 HydrophobicContact CD1-CD1 3.66Å; L1422-L1472 HydrophobicContact CG-CD1 3.58Å; L1422-Y1478 HydrophobicContact CD1-CD2 4.07Å; L1422-Y1478 HydrophobicContact CD1-CG 4.39Å; L1422-A1500 HydrophobicContact CD1-CB 3.84Å; L1422-A1500 HydrophobicContact CD2-CB 4.25Å; L1422-T1502 HydrophobicContact CD2-CG2 4.23Å; L1422-T1502 HydrophobicContact CG-CG2 4.17Å
1423	T	83.2	Confident	78.7	Confident	23 Å²	23	29.3 Å²	29.3	14%	0.141	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.5	176.6	-55.5	0	0	0	0	109.8	L1415 N1416 T1466 Y1467 S1468	L1415-T1423 HydrophobicContact CB-CG2 4.14Å; L1415-T1423 HydrophobicContact CD1-CG2 4.42Å; L1415-T1423 PolarHBondContact N-O 2.83Å; N1416-T1423 PolarHBondContact O-N 2.88Å; T1423-T1466 HydrophobicContact CG2-CG2 3.66Å; T1423-Y1467 CarbonylContact C-O 3.53Å; T1423-Y1467 WeakPolarHBondContact CA-O 3.48Å; T1423-S1468 WeakPolarHBondContact CG2-OG 3.07Å; T1423-S1468 PolarHBondContact OG1-OG 3Å
1424	V	81.1	Confident	79	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.7	-172.7	-177.7	0	0	0	0	110.3	R1413 L1414 W1426 T1466 Y1467 I1469 V1480 L1498	R1413-V1424 CarbonylContact O-C 3.44Å; R1413-V1424 WeakPolarHBondContact O-CA 3.38Å; L1414-V1424 HydrophobicContact CD1-CG2 4.24Å; V1424-W1426 HydrophobicContact CG1-CE3 4.44Å; V1424-T1466 CarbonylContact O-C 3.57Å; V1424-T1466 WeakPolarHBondContact O-CA 3.44Å; V1424-Y1467 PolarHBondContact N-O 2.67Å; V1424-Y1467 PolarHBondContact O-N 2.81Å; V1424-I1469 HydrophobicContact CG2-CD1 4.38Å; V1424-V1480 HydrophobicContact CG1-CG1 4.34Å; V1424-V1480 HydrophobicContact CG2-CG1 4.42Å; V1424-L1498 HydrophobicContact CG1-CD2 3.9Å; V1424-L1498 HydrophobicContact CG2-CD2 4.36Å
1425	S	84.9	Confident	79.7	Confident	6 Å²	6	24.5 Å²	24.5	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153	-179.7	62	0	0	0	0	112.8	P1412 R1413 L1465 T1466	P1412-S1425 CarbonylContact C-O 3.52Å; P1412-S1425 VanDerWaalsContact CA-O 3.32Å; P1412-S1425 WeakPolarHBondContact CA-O 3.2Å; R1413-S1425 PolarHBondContact N-O 2.77Å; R1413-S1425 PolarHBondContact O-N 3.24Å; R1413-S1425 PolarHBondContact O-OG 2.84Å; S1425-L1465 CarbonylContact C-O 3.41Å; S1425-L1465 WeakPolarHBondContact CA-O 3.46Å; S1425-L1465 WeakPolarHBondContact CB-O 2.85Å; S1425-T1466 WeakPolarHBondContact CB-OG1 3.31Å
1426	W	85.9	Confident	81	Confident	2 Å²	2	19.8 Å²	19.8	1%	0.008	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	154	178.4	59.4	94.7	0	0	0	111.8	V1424 F1438 L1440 I1456 V1464 L1465 V1482	V1424-W1426 HydrophobicContact CG1-CE3 4.44Å; W1426-F1438 HydrophobicContact CZ2-CB 4.39Å; W1426-F1438 AromaticContact NE1-CD1 3.75Å; W1426-F1438 AromaticContact NE1-CG 3.78Å; W1426-L1440 HydrophobicContact CZ3-CD1 4.18Å; W1426-I1456 HydrophobicContact CH2-CD1 3.56Å; W1426-I1456 HydrophobicContact CZ2-CD1 3.99Å; W1426-I1456 HydrophobicContact CZ2-CG2 4.41Å; W1426-V1464 CarbonylContact O-C 3.55Å; W1426-V1464 VanDerWaalsContact O-CA 3.31Å; W1426-V1464 WeakPolarHBondContact O-CA 3.35Å; W1426-L1465 HydrophobicContact CD2-CB 4.32Å; W1426-L1465 HydrophobicContact CH2-CB 4.26Å; W1426-L1465 HydrophobicContact CZ2-CB 3.66Å; W1426-L1465 HydrophobicContact CZ2-CD1 3.94Å; W1426-L1465 HydrophobicContact CZ2-CG 4.45Å; W1426-L1465 PolarHBondContact N-O 2.75Å; W1426-L1465 VanDerWaalsContact N-O 3.1Å; W1426-L1465 PolarHBondContact O-N 3.5Å; W1426-V1482 HydrophobicContact CB-CG1 4.44Å; W1426-V1482 HydrophobicContact CD2-CG1 4.46Å; W1426-V1482 HydrophobicContact CD2-CG2 4.47Å; W1426-V1482 HydrophobicContact CG-CG1 4.16Å
1427	T	85	Confident	82.3	Confident	13 Å²	13	16.3 Å²	16.3	8%	0.08	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.8	175.3	-51.6	0	0	0	0	110.6	S1410	S1410-T1427 PolarHBondContact N-O 3.47Å; S1410-T1427 PolarHBondContact O-N 3.34Å
1428	Q	88.1	Confident	84.1	Confident	5 Å²	5	14.5 Å²	14.5	2%	0.023	9%	0.086	C	C	.	.			trans	-75.9	140.8	179.7	-63.5	177.5	87.7	0	0	112.1	R1286 F1438 D1459 N1462 E1463 L1465	R1286-Q1428 VanDerWaalsContact NH1-NE2 3.18Å; Q1428-F1438 HydrophobicContact CB-CZ 3.85Å; Q1428-F1438 HydrophobicContact CG-CE1 4.46Å; Q1428-F1438 HydrophobicContact CG-CE2 3.81Å; Q1428-F1438 HydrophobicContact CG-CZ 3.59Å; Q1428-D1459 PolarHBondContact NE2-O 2.84Å; Q1428-D1459 PolarHBondContact OE1-O 2.87Å; Q1428-N1462 PolarHBondContact NE2-O 2.74Å; Q1428-E1463 WeakPolarHBondContact CB-O 3.28Å; Q1428-E1463 WeakPolarHBondContact CG-O 3.26Å; Q1428-E1463 PolarHBondContact N-O 3.03Å; Q1428-E1463 PolarHBondContact NE2-O 3.16Å; Q1428-L1465 HydrophobicContact CG-CD1 3.76Å; Q1428-L1465 HydrophobicContact CG-CG 3.87Å
1429	G	88	Confident	85	Confident	7 Å²	7	14.9 Å²	14.9	7%	0.072	9%	0.087	C	C	.	.			trans	-85.2	175.3	173.5	0	0	0	0	0	113.7	R1286 N1431 Q1436	R1286-G1429 WeakPolarHBondContact CD-O 3.34Å; R1286-G1429 WeakPolarHBondContact CG-O 3.46Å; R1286-G1429 PolarHBondContact NE-O 2.82Å; G1429-N1431 PolarHBondContact O-N 2.83Å; G1429-Q1436 PolarHBondContact O-NE2 3.02Å
1430	F	90.6	Very high	86.1	Confident	4 Å²	4	14.9 Å²	14.9	2%	0.018	9%	0.087	C	C	.	.			trans	-61.3	130.4	166.8	175.1	-117.9	0	0	0	109.9	R1289 A1291 I1401 P1406 D1407 G1432	R1289-F1430 HydrophobicContact CB-CD1 4.45Å; R1289-F1430 HydrophobicContact CB-CD2 4.03Å; R1289-F1430 HydrophobicContact CB-CE1 4.31Å; R1289-F1430 HydrophobicContact CB-CE2 3.91Å; R1289-F1430 HydrophobicContact CB-CG 4.32Å; R1289-F1430 HydrophobicContact CB-CZ 4.05Å; R1289-F1430 VanDerWaalsContact O-CE2 3.3Å; R1289-F1430 WeakPolarHBondContact O-CE2 2.99Å; A1291-F1430 HydrophobicContact CB-CZ 3.96Å; I1401-F1430 HydrophobicContact CD1-CE1 4.02Å; I1401-F1430 HydrophobicContact CD1-CZ 4.29Å; I1401-F1430 HydrophobicContact CG1-CZ 4.44Å; P1406-F1430 CarbonylContact C-O 3.54Å; P1406-F1430 VanDerWaalsContact CA-O 3.25Å; P1406-F1430 WeakPolarHBondContact CA-O 3.16Å; D1407-F1430 PolarHBondContact N-O 3.49Å; D1407-F1430 WeakPolarHBondContact OD2-CB 3.42Å; D1407-F1430 PolarHBondContact OD2-N 2.9Å; D1407-F1430 VanDerWaalsContact OD2-N 3.14Å; F1430-G1432 VanDerWaalsContact C-N 3.29Å; F1430-G1432 PolarHBondContact O-N 2.99Å
1431	N	88.1	Confident	86.6	Confident	26 Å²	26	14 Å²	14	14%	0.139	8%	0.079	C	C	.	.			trans	-78.2	-8.2	-171.8	68.6	-3.8	0	0	0	114.8	G1429 G1433 P1434 Q1436 E1458 N1486	G1429-N1431 PolarHBondContact O-N 2.83Å; N1431-G1433 VanDerWaalsContact C-N 3.28Å; N1431-G1433 PolarHBondContact O-N 2.89Å; N1431-G1433 PolarHBondContact OD1-N 2.94Å; N1431-P1434 PolarHBondContact ND2-O 3.3Å; N1431-Q1436 HydrophobicContact CB-CB 3.85Å; N1431-Q1436 HydrophobicContact CB-CG 3.78Å; N1431-E1458 WeakPolarHBondContact CB-OE1 3.46Å; N1431-E1458 PolarHBondContact ND2-OE1 3.5Å; N1431-N1486 PolarHBondContact O-ND2 2.85Å
1432	G	84.6	Confident	87	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.			trans	78.9	2.9	-176.1	0	0	0	0	0	114.9	P1403 T1404 F1430 P1434	P1403-G1432 CarbonylContact C-O 3.6Å; P1403-G1432 WeakPolarHBondContact CA-O 3.23Å; P1403-G1432 WeakPolarHBondContact CB-O 3.38Å; T1404-G1432 PolarHBondContact N-O 2.97Å; T1404-G1432 WeakPolarHBondContact OG1-CA 3.46Å; F1430-G1432 VanDerWaalsContact C-N 3.29Å; F1430-G1432 PolarHBondContact O-N 2.99Å; G1432-P1434 VanDerWaalsContact O-CD 3.26Å; G1432-P1434 WeakPolarHBondContact O-CD 3.06Å
1433	G	82.7	Confident	87.3	Confident	8 Å²	8	15 Å²	15	8%	0.082	8%	0.08	C	C	.	.	S	Bend	trans	114.8	-60.1	179.5	0	0	0	0	0	114.3	N1431	N1431-G1433 VanDerWaalsContact C-N 3.28Å; N1431-G1433 PolarHBondContact O-N 2.89Å; N1431-G1433 PolarHBondContact OD1-N 2.94Å
1434	P	83.5	Confident	87.3	Confident	1 Å²	1	15 Å²	15	1%	0.006	8%	0.08	C	C	.	.	S	Bend	trans	-69.6	162.6	171.1	-8.5	23	0	0	0	112	N1431 G1432 Q1436 N1486 T1487 L1488	N1431-P1434 PolarHBondContact ND2-O 3.3Å; G1432-P1434 VanDerWaalsContact O-CD 3.26Å; G1432-P1434 WeakPolarHBondContact O-CD 3.06Å; P1434-Q1436 PolarHBondContact O-N 3.46Å; P1434-N1486 HydrophobicContact CB-CB 4.28Å; P1434-N1486 HydrophobicContact CG-CB 4.48Å; P1434-T1487 VanDerWaalsContact CB-OG1 3.31Å; P1434-T1487 WeakPolarHBondContact CB-OG1 3.31Å; P1434-L1488 HydrophobicContact CG-CB 4.49Å; P1434-L1488 HydrophobicContact CG-CD1 3.51Å; P1434-L1488 HydrophobicContact CG-CG 3.71Å
1435	E	84.4	Confident	87.2	Confident	84 Å²	84	16 Å²	16	39%	0.393	9%	0.086	S	C	.	.	P	Polyproline II helix	trans	-57.1	122.4	173.9	-169.4	-170.9	155.9	0	0	110.3	K1457 E1458	E1435-K1457 IonicContact OE1-NZ 2.67Å; E1435-K1457 PolarHBondContact OE1-NZ 3.48Å; E1435-K1457 IonicContact OE2-NZ 3.52Å; E1435-K1457 PolarHBondContact OE2-NZ 3.25Å; E1435-E1458 WeakPolarHBondContact CA-OE1 3.48Å; E1435-E1458 HydrophobicContact CG-CG 4.36Å
1436	Q	89.3	Confident	86.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-88.3	156.9	173.3	74.7	-169.7	-40	0	0	111.7	P1406 G1429 N1431 P1434 F1438 E1458 Y1485	P1406-Q1436 HydrophobicContact CB-CB 4.45Å; P1406-Q1436 HydrophobicContact CG-CB 4.14Å; G1429-Q1436 PolarHBondContact O-NE2 3.02Å; N1431-Q1436 HydrophobicContact CB-CB 3.85Å; N1431-Q1436 HydrophobicContact CB-CG 3.78Å; P1434-Q1436 PolarHBondContact O-N 3.46Å; Q1436-F1438 VanDerWaalsContact CD-CZ 3.48Å; Q1436-F1438 HydrophobicContact CG-CE2 4Å; Q1436-F1438 HydrophobicContact CG-CZ 3.88Å; Q1436-E1458 HydrophobicContact CG-CB 3.67Å; Q1436-E1458 HydrophobicContact CG-CG 4.12Å; Q1436-E1458 PolarHBondContact N-OE1 2.97Å; Q1436-E1458 PolarHBondContact NE2-OE2 3.07Å; Q1436-E1458 PolarHBondContact O-N 3.28Å; Q1436-Y1485 CarbonylContact C-O 2.95Å; Q1436-Y1485 VanDerWaalsContact CA-O 3.22Å; Q1436-Y1485 WeakPolarHBondContact CA-O 3.17Å
1437	S	91.1	Very high	86	Confident	19 Å²	19	25.8 Å²	25.8	13%	0.133	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143	171.3	-70.8	0	0	0	0	110.1	A1484 Y1485	S1437-A1484 CarbonylContact O-C 3.48Å; S1437-A1484 WeakPolarHBondContact O-CA 3.48Å; S1437-Y1485 VanDerWaalsContact CB-CZ 3.49Å; S1437-Y1485 PolarHBondContact N-O 3.31Å; S1437-Y1485 VanDerWaalsContact O-CD1 3.28Å; S1437-Y1485 WeakPolarHBondContact O-CD1 3.46Å; S1437-Y1485 PolarHBondContact O-N 3.04Å
1438	F	92.6	Very high	85.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.6	-178.1	-59.6	-81.1	0	0	0	110.1	P1409 W1426 Q1428 Q1436 N1455 I1456 E1458 L1465 V1482 S1483 A1484	P1409-F1438 HydrophobicContact CB-CD1 4.46Å; P1409-F1438 HydrophobicContact CB-CE1 4.38Å; P1409-F1438 HydrophobicContact CG-CD1 3.82Å; P1409-F1438 HydrophobicContact CG-CE1 3.9Å; W1426-F1438 HydrophobicContact CZ2-CB 4.39Å; W1426-F1438 AromaticContact NE1-CD1 3.75Å; W1426-F1438 AromaticContact NE1-CG 3.78Å; Q1428-F1438 HydrophobicContact CB-CZ 3.85Å; Q1428-F1438 HydrophobicContact CG-CE1 4.46Å; Q1428-F1438 HydrophobicContact CG-CE2 3.81Å; Q1428-F1438 HydrophobicContact CG-CZ 3.59Å; Q1436-F1438 VanDerWaalsContact CD-CZ 3.48Å; Q1436-F1438 HydrophobicContact CG-CE2 4Å; Q1436-F1438 HydrophobicContact CG-CZ 3.88Å; F1438-N1455 CarbonylContact O-C 2.89Å; F1438-N1455 WeakPolarHBondContact O-CA 3.15Å; F1438-I1456 HydrophobicContact CB-CB 4.41Å; F1438-I1456 PolarHBondContact N-O 2.68Å; F1438-I1456 PolarHBondContact O-N 3.28Å; F1438-E1458 HydrophobicContact CE2-CB 3.85Å; F1438-L1465 HydrophobicContact CD2-CD1 3.39Å; F1438-L1465 HydrophobicContact CE2-CD1 3.49Å; F1438-L1465 VanDerWaalsContact CE2-CD1 3.49Å; F1438-L1465 HydrophobicContact CG-CD1 4.25Å; F1438-L1465 HydrophobicContact CZ-CD1 4.41Å; F1438-V1482 HydrophobicContact CB-CG2 3.95Å; F1438-V1482 HydrophobicContact CD1-CG2 4.31Å; F1438-S1483 CarbonylContact C-O 3.4Å; F1438-S1483 VanDerWaalsContact CA-O 3.24Å; F1438-S1483 WeakPolarHBondContact CA-O 3.22Å; F1438-A1484 HydrophobicContact CD1-CB 4.02Å; F1438-A1484 HydrophobicContact CE1-CB 3.99Å
1439	L	91.4	Very high	84.3	Confident	30 Å²	30	35.2 Å²	35.2	16%	0.157	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	102.3	173.2	172.1	61.7	0	0	0	107.7	K1453 N1455 V1482 S1483 F1494	L1439-K1453 HydrophobicContact CD1-CB 3.9Å; L1439-K1453 HydrophobicContact CD1-CD 4.33Å; L1439-K1453 HydrophobicContact CD1-CG 4.33Å; L1439-N1455 WeakPolarHBondContact CD1-OD1 3.11Å; L1439-V1482 WeakPolarHBondContact O-CA 3.05Å; L1439-S1483 PolarHBondContact N-O 2.95Å; L1439-S1483 PolarHBondContact O-N 2.75Å; L1439-F1494 HydrophobicContact CD2-CE1 4.32Å; L1439-F1494 HydrophobicContact CD2-CZ 3.69Å; L1439-F1494 HydrophobicContact CG-CE1 4.12Å; L1439-F1494 HydrophobicContact CG-CZ 3.98Å; L1439-F1494 WeakPolarHBondContact O-CE1 3.29Å
1440	L	91.6	Very high	83.3	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.8	174.4	-179	75.4	0	0	0	108.4	W1426 W1442 K1453 V1454 I1456 Y1467 I1469 V1480 V1482	W1426-L1440 HydrophobicContact CZ3-CD1 4.18Å; L1440-W1442 HydrophobicContact CD2-CZ3 4.49Å; L1440-W1442 HydrophobicContact CG-CE3 4.4Å; L1440-K1453 CarbonylContact O-C 3.59Å; L1440-K1453 VanDerWaalsContact O-CA 3.25Å; L1440-K1453 WeakPolarHBondContact O-CA 3.3Å; L1440-V1454 HydrophobicContact CB-CG1 3.99Å; L1440-V1454 HydrophobicContact CD2-CG1 4.06Å; L1440-V1454 PolarHBondContact N-O 3.23Å; L1440-V1454 PolarHBondContact O-N 3.47Å; L1440-I1456 HydrophobicContact CB-CD1 4.06Å; L1440-I1456 HydrophobicContact CD2-CD1 3.99Å; L1440-Y1467 HydrophobicContact CD2-CD1 3.58Å; L1440-Y1467 HydrophobicContact CD2-CE1 4.22Å; L1440-Y1467 HydrophobicContact CD2-CG 4.17Å; L1440-I1469 HydrophobicContact CD2-CD1 4.34Å; L1440-I1469 HydrophobicContact CD2-CG1 4.27Å; L1440-V1480 HydrophobicContact CD1-CG1 3.71Å; L1440-V1480 HydrophobicContact CG-CG1 4.44Å; L1440-V1482 HydrophobicContact CD1-CB 4.24Å
1441	H	88.8	Confident	82.3	Confident	40 Å²	40	45.2 Å²	45.2	19%	0.185	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.8	-174.8	165.3	-149.5	0	0	0	109.2	H1443 H1451 D1452 V1480 S1481 F1494	H1441-H1443 AromaticContact NE2-CD2 3.82Å; H1441-H1451 AromaticContact CE1-CD2 3.22Å; H1441-H1451 PolarHBondContact CE1-CD2 3.24Å; H1441-H1451 AromaticContact CE1-CE1 3.39Å; H1441-H1451 PolarHBondContact CE1-CE1 3.31Å; H1441-H1451 AromaticContact CE1-CG 3.87Å; H1441-H1451 AromaticContact CE1-ND1 3.96Å; H1441-H1451 AromaticContact CE1-NE2 2.82Å; H1441-H1451 PolarHBondContact CE1-NE2 2.71Å; H1441-H1451 WeakPolarHBondContact NE2-CA 3.38Å; H1441-H1451 WeakPolarHBondContact NE2-CB 3.28Å; H1441-H1451 AromaticContact NE2-CD2 2.55Å; H1441-H1451 PolarHBondContact NE2-CD2 3.39Å; H1441-H1451 AromaticContact NE2-CE1 2.71Å; H1441-H1451 PolarHBondContact NE2-CE1 2.95Å; H1441-H1451 AromaticContact NE2-CG 2.19Å; H1441-H1451 AromaticContact NE2-ND1 2.31Å; H1441-H1451 PolarHBondContact NE2-ND1 2.69Å; H1441-H1451 AromaticContact NE2-NE2 2.83Å; H1441-H1451 PolarHBondContact NE2-NE2 3.42Å; H1441-D1452 WeakPolarHBondContact CA-O 3.13Å; H1441-D1452 PolarHBondContact CD2-O 3.33Å; H1441-V1480 CarbonylContact O-C 3.48Å; H1441-V1480 WeakPolarHBondContact O-CA 3.21Å; H1441-S1481 PolarHBondContact N-O 2.86Å; H1441-S1481 PolarHBondContact O-N 3.42Å; H1441-F1494 HydrophobicContact CB-CD1 4.39Å; H1441-F1494 HydrophobicContact CB-CE1 3.67Å; H1441-F1494 HydrophobicContact CB-CZ 4.21Å
1442	W	90.8	Very high	82.1	Confident	26 Å²	26	47.9 Å²	47.9	10%	0.098	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.2	172.9	66.4	92.7	0	0	0	112.3	L1440 D1452 V1454 I1469 R1479 V1480	L1440-W1442 HydrophobicContact CD2-CZ3 4.49Å; L1440-W1442 HydrophobicContact CG-CE3 4.4Å; W1442-D1452 HydrophobicContact CD2-CB 3.78Å; W1442-D1452 HydrophobicContact CE3-CB 4.41Å; W1442-D1452 HydrophobicContact CG-CB 4.16Å; W1442-D1452 HydrophobicContact CH2-CB 4.17Å; W1442-D1452 HydrophobicContact CZ2-CB 3.49Å; W1442-D1452 VanDerWaalsContact CZ2-CB 3.49Å; W1442-D1452 PolarHBondContact N-O 2.84Å; W1442-D1452 VanDerWaalsContact NE1-CB 3.25Å; W1442-D1452 PolarHBondContact NE1-OD2 2.67Å; W1442-D1452 PolarHBondContact O-N 2.77Å; W1442-V1454 HydrophobicContact CH2-CB 4.26Å; W1442-V1454 HydrophobicContact CH2-CG1 4.29Å; W1442-V1454 HydrophobicContact CZ3-CB 4.15Å; W1442-V1454 HydrophobicContact CZ3-CG1 3.84Å; W1442-I1469 HydrophobicContact CB-CD1 4.31Å; W1442-I1469 HydrophobicContact CD2-CD1 4.02Å; W1442-I1469 HydrophobicContact CD2-CG2 3.87Å; W1442-I1469 VanDerWaalsContact CE2-CG2 3.48Å; W1442-I1469 HydrophobicContact CE3-CD1 4.07Å; W1442-I1469 HydrophobicContact CE3-CG1 4.45Å; W1442-I1469 HydrophobicContact CE3-CG2 4.42Å; W1442-I1469 HydrophobicContact CG-CD1 4.15Å; W1442-I1469 HydrophobicContact CG-CG2 4.31Å; W1442-I1469 HydrophobicContact CH2-CG2 4.33Å; W1442-I1469 HydrophobicContact CZ2-CG2 3.74Å; W1442-R1479 WeakPolarHBondContact CA-O 3.16Å; W1442-V1480 HydrophobicContact CB-CG1 4.49Å; W1442-V1480 HydrophobicContact CB-CG2 4.03Å
1443	H	87.7	Confident	82.3	Confident	17 Å²	17	55.4 Å²	55.4	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	156.8	171.4	70.7	96.3	0	0	0	110.7	H1441 D1447 H1450 H1451 Y1478 R1479	H1441-H1443 AromaticContact NE2-CD2 3.82Å; H1443-D1447 PolarHBondContact ND1-O 3.01Å; H1443-H1450 WeakPolarHBondContact CB-O 3.08Å; H1443-H1451 AromaticContact CD2-CE1 3.67Å; H1443-H1451 AromaticContact CD2-ND1 3.89Å; H1443-H1451 AromaticContact CG-CE1 3.83Å; H1443-H1451 AromaticContact CG-ND1 3.73Å; H1443-Y1478 WeakPolarHBondContact O-CA 3.06Å; H1443-Y1478 WeakPolarHBondContact O-CD1 3.4Å; H1443-R1479 PolarHBondContact N-O 3.1Å; H1443-R1479 VanDerWaalsContact N-O 3.11Å; H1443-R1479 PolarHBondContact O-N 2.69Å
1444	P	84.1	Confident	82.7	Confident	22 Å²	22	56.8 Å²	56.8	14%	0.143	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	145.5	172.2	-19.2	31.8	0	0	0	111.2	E1446 D1447 T1476 Y1478	P1444-E1446 PolarHBondContact O-N 3.42Å; P1444-E1446 VanDerWaalsContact O-N 3.16Å; P1444-D1447 HydrophobicContact CB-CB 4.25Å; P1444-D1447 HydrophobicContact CG-CB 4.22Å; P1444-D1447 CarbonylContact O-C 3.57Å; P1444-D1447 PolarHBondContact O-N 3.09Å; P1444-T1476 HydrophobicContact CB-CG2 4.47Å; P1444-Y1478 HydrophobicContact CB-CE1 4.33Å; P1444-Y1478 HydrophobicContact CG-CD1 4.41Å; P1444-Y1478 HydrophobicContact CG-CE1 3.86Å
1445	N	78.6	Confident	83	Confident	25 Å²	25	61.4 Å²	61.4	13%	0.134	31%	0.309	C	S	.	.	S	Bend	trans	-64.6	-19.9	177	-172.8	52.4	0	0	0	112.9	T1477 R1479 Q1685	N1445-T1477 HydrophobicContact CB-CG2 4.18Å; N1445-T1477 VanDerWaalsContact CB-O 3.3Å; N1445-T1477 WeakPolarHBondContact CB-O 3.37Å; N1445-T1477 PolarHBondContact N-O 3.41Å; N1445-R1479 VanDerWaalsContact OD1-CZ 3.27Å; N1445-R1479 PolarHBondContact OD1-NE 3.24Å; N1445-R1479 PolarHBondContact OD1-NH2 2.86Å; N1445-Q1685 PolarHBondContact ND2-OE1 2.82Å
1446	E	72.1	Confident	83.3	Confident	150 Å²	150	58.6 Å²	58.6	70%	0.701	30%	0.297	S	S	*	.	S	Bend	trans	-95.4	-23.3	-178.6	-55.4	-172.4	154.5	0	0	113.2	P1444 P1448	P1444-E1446 PolarHBondContact O-N 3.42Å; P1444-E1446 VanDerWaalsContact O-N 3.16Å; E1446-P1448 WeakPolarHBondContact O-CD 3.29Å
1447	D	72.8	Confident	83.2	Confident	63 Å²	63	65 Å²	65	34%	0.337	33%	0.325	S	S	.	.			trans	-116.8	96.1	175.2	-170.5	-27.9	0	0	0	109.2	H1443 P1444 D1449 H1450	H1443-D1447 PolarHBondContact ND1-O 3.01Å; P1444-D1447 HydrophobicContact CB-CB 4.25Å; P1444-D1447 HydrophobicContact CG-CB 4.22Å; P1444-D1447 CarbonylContact O-C 3.57Å; P1444-D1447 PolarHBondContact O-N 3.09Å; D1447-D1449 VanDerWaalsContact C-N 3.3Å; D1447-D1449 PolarHBondContact OD1-N 3.34Å; D1447-H1450 PolarHBondContact OD1-N 2.74Å
1448	P	67	Low	83.1	Confident	69 Å²	69	65.2 Å²	65.2	45%	0.448	32%	0.324	S	S	.	.	S	Bend	trans	-81.2	-4.6	177.6	34.4	-35.6	0	0	0	113.8	E1446 H1451	E1446-P1448 WeakPolarHBondContact O-CD 3.29Å; P1448-H1451 PolarHBondContact O-CE1 2.82Å; P1448-H1451 PolarHBondContact O-ND1 3.06Å
1449	D	70.4	Confident	82.7	Confident	147 Å²	147	67.6 Å²	67.6	79%	0.786	34%	0.336	S	S	*	.	S	Bend	trans	-99.6	-28.9	-177.7	-68.3	-38	0	0	0	112	D1447 H1451	D1447-D1449 VanDerWaalsContact C-N 3.3Å; D1447-D1449 PolarHBondContact OD1-N 3.34Å; D1449-H1451 PolarHBondContact O-N 3.26Å
1450	H	66.9	Low	82.2	Confident	131 Å²	131	69.5 Å²	69.5	61%	0.606	35%	0.346	S	S	*	.			trans	-83.1	94.3	177.7	-128.3	86.8	0	0	0	112.5	H1443 D1447	H1443-H1450 WeakPolarHBondContact CB-O 3.08Å; D1447-H1450 PolarHBondContact OD1-N 2.74Å
1451	H	68.9	Low	81.3	Confident	90 Å²	90	72.3 Å²	72.3	42%	0.417	36%	0.361	S	S	.	.			trans	-104	107.2	-174.4	-75.4	-4.6	0	0	0	113.9	H1441 H1443 P1448 D1449	H1441-H1451 AromaticContact CE1-CD2 3.22Å; H1441-H1451 PolarHBondContact CE1-CD2 3.24Å; H1441-H1451 AromaticContact CE1-CE1 3.39Å; H1441-H1451 PolarHBondContact CE1-CE1 3.31Å; H1441-H1451 AromaticContact CE1-CG 3.87Å; H1441-H1451 AromaticContact CE1-ND1 3.96Å; H1441-H1451 AromaticContact CE1-NE2 2.82Å; H1441-H1451 PolarHBondContact CE1-NE2 2.71Å; H1441-H1451 WeakPolarHBondContact NE2-CA 3.38Å; H1441-H1451 WeakPolarHBondContact NE2-CB 3.28Å; H1441-H1451 AromaticContact NE2-CD2 2.55Å; H1441-H1451 PolarHBondContact NE2-CD2 3.39Å; H1441-H1451 AromaticContact NE2-CE1 2.71Å; H1441-H1451 PolarHBondContact NE2-CE1 2.95Å; H1441-H1451 AromaticContact NE2-CG 2.19Å; H1441-H1451 AromaticContact NE2-ND1 2.31Å; H1441-H1451 PolarHBondContact NE2-ND1 2.69Å; H1441-H1451 AromaticContact NE2-NE2 2.83Å; H1441-H1451 PolarHBondContact NE2-NE2 3.42Å; H1443-H1451 AromaticContact CD2-CE1 3.67Å; H1443-H1451 AromaticContact CD2-ND1 3.89Å; H1443-H1451 AromaticContact CG-CE1 3.83Å; H1443-H1451 AromaticContact CG-ND1 3.73Å; P1448-H1451 PolarHBondContact O-CE1 2.82Å; P1448-H1451 PolarHBondContact O-ND1 3.06Å; D1449-H1451 PolarHBondContact O-N 3.26Å
1452	D	84.5	Confident	80.5	Confident	81 Å²	81	73 Å²	73	43%	0.433	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	149.3	169.9	-80.3	-33.5	0	0	0	111.9	H1441 W1442	H1441-D1452 WeakPolarHBondContact CA-O 3.13Å; H1441-D1452 PolarHBondContact CD2-O 3.33Å; W1442-D1452 HydrophobicContact CD2-CB 3.78Å; W1442-D1452 HydrophobicContact CE3-CB 4.41Å; W1442-D1452 HydrophobicContact CG-CB 4.16Å; W1442-D1452 HydrophobicContact CH2-CB 4.17Å; W1442-D1452 HydrophobicContact CZ2-CB 3.49Å; W1442-D1452 VanDerWaalsContact CZ2-CB 3.49Å; W1442-D1452 PolarHBondContact N-O 2.84Å; W1442-D1452 VanDerWaalsContact NE1-CB 3.25Å; W1442-D1452 PolarHBondContact NE1-OD2 2.67Å; W1442-D1452 PolarHBondContact O-N 2.77Å
1453	K	88.2	Confident	79.8	Confident	158 Å²	158	72.9 Å²	72.9	69%	0.687	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.5	149.1	-179.9	67.5	-164.4	174.8	-166.7	0	114.2	L1439 L1440	L1439-K1453 HydrophobicContact CD1-CB 3.9Å; L1439-K1453 HydrophobicContact CD1-CD 4.33Å; L1439-K1453 HydrophobicContact CD1-CG 4.33Å; L1440-K1453 CarbonylContact O-C 3.59Å; L1440-K1453 VanDerWaalsContact O-CA 3.25Å; L1440-K1453 WeakPolarHBondContact O-CA 3.3Å
1454	V	91.2	Very high	79.3	Confident	37 Å²	37	73.2 Å²	73.2	22%	0.224	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.3	172.3	73.2	0	0	0	0	111.6	L1440 W1442 I1456 Y1467	L1440-V1454 HydrophobicContact CB-CG1 3.99Å; L1440-V1454 HydrophobicContact CD2-CG1 4.06Å; L1440-V1454 PolarHBondContact N-O 3.23Å; L1440-V1454 PolarHBondContact O-N 3.47Å; W1442-V1454 HydrophobicContact CH2-CB 4.26Å; W1442-V1454 HydrophobicContact CH2-CG1 4.29Å; W1442-V1454 HydrophobicContact CZ3-CB 4.15Å; W1442-V1454 HydrophobicContact CZ3-CG1 3.84Å; V1454-I1456 HydrophobicContact CG1-CD1 3.95Å; V1454-I1456 HydrophobicContact CG1-CG1 4Å; V1454-Y1467 HydrophobicContact CG1-CD1 4.49Å; V1454-Y1467 HydrophobicContact CG1-CE1 3.91Å; V1454-Y1467 HydrophobicContact CG1-CE2 4.46Å
1455	N	89.9	Confident	79.2	Confident	98 Å²	98	73 Å²	73	52%	0.524	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.5	173.2	-71.7	-27.1	0	0	0	110	F1438 L1439	F1438-N1455 CarbonylContact O-C 2.89Å; F1438-N1455 WeakPolarHBondContact O-CA 3.15Å; L1439-N1455 WeakPolarHBondContact CD1-OD1 3.11Å
1456	I	91	Very high	79.4	Confident	25 Å²	25	75.5 Å²	75.5	13%	0.128	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.4	-175.6	-57	176.1	0	0	0	107.9	W1426 F1438 L1440 V1454 L1465 Y1467	W1426-I1456 HydrophobicContact CH2-CD1 3.56Å; W1426-I1456 HydrophobicContact CZ2-CD1 3.99Å; W1426-I1456 HydrophobicContact CZ2-CG2 4.41Å; F1438-I1456 HydrophobicContact CB-CB 4.41Å; F1438-I1456 PolarHBondContact N-O 2.68Å; F1438-I1456 PolarHBondContact O-N 3.28Å; L1440-I1456 HydrophobicContact CB-CD1 4.06Å; L1440-I1456 HydrophobicContact CD2-CD1 3.99Å; V1454-I1456 HydrophobicContact CG1-CD1 3.95Å; V1454-I1456 HydrophobicContact CG1-CG1 4Å; I1456-L1465 HydrophobicContact CG2-CD1 4.33Å; I1456-Y1467 HydrophobicContact CD1-CD1 4.28Å; I1456-Y1467 HydrophobicContact CD1-CD2 3.6Å; I1456-Y1467 HydrophobicContact CD1-CE2 4.19Å; I1456-Y1467 HydrophobicContact CD1-CG 3.66Å; I1456-Y1467 HydrophobicContact CG1-CD2 4.28Å
1457	K	88.6	Confident	80.2	Confident	135 Å²	135	72.3 Å²	72.3	59%	0.587	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	155.2	177.9	-79.1	174.3	160.2	-81.7	0	111.5	E1435	E1435-K1457 IonicContact OE1-NZ 2.67Å; E1435-K1457 PolarHBondContact OE1-NZ 3.48Å; E1435-K1457 IonicContact OE2-NZ 3.52Å; E1435-K1457 PolarHBondContact OE2-NZ 3.25Å
1458	E	88.3	Confident	80.8	Confident	24 Å²	24	72 Å²	72	11%	0.112	37%	0.369	C	S	.	.			trans	-69.6	149.9	174.1	81.9	173	132.7	0	0	113.2	R1286 N1431 E1435 Q1436 F1438 L1460	R1286-E1458 IonicContact CZ-OE2 3.47Å; R1286-E1458 IonicContact NH2-OE2 3.54Å; R1286-E1458 PolarHBondContact NH2-OE2 3.3Å; N1431-E1458 WeakPolarHBondContact CB-OE1 3.46Å; N1431-E1458 PolarHBondContact ND2-OE1 3.5Å; E1435-E1458 WeakPolarHBondContact CA-OE1 3.48Å; E1435-E1458 HydrophobicContact CG-CG 4.36Å; Q1436-E1458 HydrophobicContact CG-CB 3.67Å; Q1436-E1458 HydrophobicContact CG-CG 4.12Å; Q1436-E1458 PolarHBondContact N-OE1 2.97Å; Q1436-E1458 PolarHBondContact NE2-OE2 3.07Å; Q1436-E1458 PolarHBondContact O-N 3.28Å; F1438-E1458 HydrophobicContact CE2-CB 3.85Å; E1458-L1460 HydrophobicContact CG-CD2 4.17Å; E1458-L1460 HydrophobicContact CG-CG 4.4Å
1459	D	84.3	Confident	81.9	Confident	49 Å²	49	68.8 Å²	68.8	26%	0.262	35%	0.348	S	S	.	.			trans	-108.5	123.8	168.3	-175.3	-26	0	0	0	107.9	R1286 Q1428 D1461 N1462 L1465	R1286-D1459 PolarHBondContact NH1-O 2.81Å; R1286-D1459 PolarHBondContact NH2-O 3.35Å; Q1428-D1459 PolarHBondContact NE2-O 2.84Å; Q1428-D1459 PolarHBondContact OE1-O 2.87Å; D1459-D1461 WeakPolarHBondContact OD1-CA 3.11Å; D1459-D1461 PolarHBondContact OD1-N 3.06Å; D1459-N1462 HydrophobicContact CB-CB 4.37Å; D1459-N1462 VanDerWaalsContact O-O 3.13Å; D1459-N1462 PolarHBondContact OD1-N 2.61Å; D1459-N1462 PolarHBondContact OD2-ND2 3.42Å; D1459-L1465 HydrophobicContact CB-CD2 3.78Å
1460	L	80.1	Confident	82.7	Confident	71 Å²	71	66.8 Å²	66.8	37%	0.372	34%	0.341	S	S	.	.	S	Bend	trans	-89.9	-9.9	-178.4	-66.3	175.8	0	0	0	113.5	R1324 E1458	R1324-L1460 PolarHBondContact NH1-O 2.73Å; R1324-L1460 PolarHBondContact NH2-O 2.92Å; E1458-L1460 HydrophobicContact CG-CD2 4.17Å; E1458-L1460 HydrophobicContact CG-CG 4.4Å
1461	D	72.2	Confident	83.3	Confident	61 Å²	61	64 Å²	64	33%	0.326	35%	0.348	S	S	.	.	S	Bend	trans	-102.7	-24.7	178.2	-73.4	-42.4	0	0	0	113	K1359 H1367 D1459	K1359-D1461 WeakPolarHBondContact CE-OD1 3.12Å; K1359-D1461 IonicContact NZ-OD1 2.61Å; K1359-D1461 PolarHBondContact NZ-OD1 2.81Å; K1359-D1461 IonicContact NZ-OD2 3.78Å; K1359-D1461 PolarHBondContact NZ-OD2 3.16Å; H1367-D1461 PolarHBondContact CE1-O 3.42Å; D1459-D1461 WeakPolarHBondContact OD1-CA 3.11Å; D1459-D1461 PolarHBondContact OD1-N 3.06Å
1462	N	72.2	Confident	84.2	Confident	53 Å²	53	60.3 Å²	60.3	28%	0.283	33%	0.331	S	S	.	.			trans	-103.4	146.4	171	-72.4	-74.2	0	0	0	112	N1177 R1286 Q1428 D1459	N1177-N1462 PolarHBondContact ND2-OD1 2.77Å; R1286-N1462 PolarHBondContact NH1-O 2.82Å; Q1428-N1462 PolarHBondContact NE2-O 2.74Å; D1459-N1462 HydrophobicContact CB-CB 4.37Å; D1459-N1462 VanDerWaalsContact O-O 3.13Å; D1459-N1462 PolarHBondContact OD1-N 2.61Å; D1459-N1462 PolarHBondContact OD2-ND2 3.42Å
1463	E	76.8	Confident	83.9	Confident	24 Å²	24	62.3 Å²	62.3	11%	0.112	34%	0.338	C	S	.	.	S	Bend	trans	-80.3	-42	167.7	-70.5	178.8	-151.1	0	0	111.9	L1179 V1284 W1287 Q1428	L1179-E1463 WeakPolarHBondContact CA-OE2 3.14Å; L1179-E1463 WeakPolarHBondContact CD2-OE1 3.4Å; L1179-E1463 VanDerWaalsContact CG-OE1 3.25Å; L1179-E1463 WeakPolarHBondContact CG-OE1 3.38Å; V1284-E1463 HydrophobicContact CG1-CG 4.42Å; W1287-E1463 HydrophobicContact CE3-CG 4.47Å; W1287-E1463 HydrophobicContact CH2-CG 3.33Å; W1287-E1463 HydrophobicContact CZ2-CG 4.15Å; W1287-E1463 HydrophobicContact CZ3-CG 3.52Å; W1287-E1463 WeakPolarHBondContact CZ3-OE1 3.15Å; Q1428-E1463 WeakPolarHBondContact CB-O 3.28Å; Q1428-E1463 WeakPolarHBondContact CG-O 3.26Å; Q1428-E1463 PolarHBondContact N-O 3.03Å; Q1428-E1463 PolarHBondContact NE2-O 3.16Å
1464	V	76.3	Confident	83.3	Confident	24 Å²	24	59.8 Å²	59.8	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.9	-175.8	175.3	0	0	0	0	109.7	T1178 W1426	T1178-V1464 VanDerWaalsContact O-CG2 3.29Å; T1178-V1464 WeakPolarHBondContact O-CG2 3.02Å; W1426-V1464 CarbonylContact O-C 3.55Å; W1426-V1464 VanDerWaalsContact O-CA 3.31Å; W1426-V1464 WeakPolarHBondContact O-CA 3.35Å
1465	L	83.9	Confident	82.3	Confident	19 Å²	19	61.1 Å²	61.1	10%	0.099	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	153.7	167.5	-77.8	170.3	0	0	0	110.1	S1425 W1426 Q1428 F1438 I1456 D1459	S1425-L1465 CarbonylContact C-O 3.41Å; S1425-L1465 WeakPolarHBondContact CA-O 3.46Å; S1425-L1465 WeakPolarHBondContact CB-O 2.85Å; W1426-L1465 HydrophobicContact CD2-CB 4.32Å; W1426-L1465 HydrophobicContact CH2-CB 4.26Å; W1426-L1465 HydrophobicContact CZ2-CB 3.66Å; W1426-L1465 HydrophobicContact CZ2-CD1 3.94Å; W1426-L1465 HydrophobicContact CZ2-CG 4.45Å; W1426-L1465 PolarHBondContact N-O 2.75Å; W1426-L1465 VanDerWaalsContact N-O 3.1Å; W1426-L1465 PolarHBondContact O-N 3.5Å; Q1428-L1465 HydrophobicContact CG-CD1 3.76Å; Q1428-L1465 HydrophobicContact CG-CG 3.87Å; F1438-L1465 HydrophobicContact CD2-CD1 3.39Å; F1438-L1465 HydrophobicContact CE2-CD1 3.49Å; F1438-L1465 VanDerWaalsContact CE2-CD1 3.49Å; F1438-L1465 HydrophobicContact CG-CD1 4.25Å; F1438-L1465 HydrophobicContact CZ-CD1 4.41Å; I1456-L1465 HydrophobicContact CG2-CD1 4.33Å; D1459-L1465 HydrophobicContact CB-CD2 3.78Å
1466	T	81.7	Confident	81.7	Confident	77 Å²	77	57.3 Å²	57.3	47%	0.472	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.8	175.1	-64.6	0	0	0	0	109.5	L1415 T1423 V1424 S1425	L1415-T1466 HydrophobicContact CD1-CG2 3.81Å; T1423-T1466 HydrophobicContact CG2-CG2 3.66Å; V1424-T1466 CarbonylContact O-C 3.57Å; V1424-T1466 WeakPolarHBondContact O-CA 3.44Å; S1425-T1466 WeakPolarHBondContact CB-OG1 3.31Å
1467	Y	89.3	Confident	81.3	Confident	82 Å²	82	57.5 Å²	57.5	32%	0.322	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.7	-179.4	-171.3	-97.1	0	0	0	110.3	T1423 V1424 L1440 V1454 I1456 I1469	T1423-Y1467 CarbonylContact C-O 3.53Å; T1423-Y1467 WeakPolarHBondContact CA-O 3.48Å; V1424-Y1467 PolarHBondContact N-O 2.67Å; V1424-Y1467 PolarHBondContact O-N 2.81Å; L1440-Y1467 HydrophobicContact CD2-CD1 3.58Å; L1440-Y1467 HydrophobicContact CD2-CE1 4.22Å; L1440-Y1467 HydrophobicContact CD2-CG 4.17Å; V1454-Y1467 HydrophobicContact CG1-CD1 4.49Å; V1454-Y1467 HydrophobicContact CG1-CE1 3.91Å; V1454-Y1467 HydrophobicContact CG1-CE2 4.46Å; I1456-Y1467 HydrophobicContact CD1-CD1 4.28Å; I1456-Y1467 HydrophobicContact CD1-CD2 3.6Å; I1456-Y1467 HydrophobicContact CD1-CE2 4.19Å; I1456-Y1467 HydrophobicContact CD1-CG 3.66Å; I1456-Y1467 HydrophobicContact CG1-CD2 4.28Å; Y1467-I1469 HydrophobicContact CD1-CG1 4.03Å; Y1467-I1469 HydrophobicContact CE1-CG1 4.25Å
1468	S	86	Confident	81.1	Confident	57 Å²	57	51.6 Å²	51.6	40%	0.399	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.8	174.8	-65.2	0	0	0	0	109.9	T1423	T1423-S1468 WeakPolarHBondContact CG2-OG 3.07Å; T1423-S1468 PolarHBondContact OG1-OG 3Å
1469	I	89.4	Confident	81.2	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.2	171.3	-48.5	172.7	0	0	0	107	S1421 L1422 V1424 L1440 W1442 Y1467 L1472 V1480	S1421-I1469 CarbonylContact C-O 3.6Å; S1421-I1469 WeakPolarHBondContact CA-O 3.32Å; S1421-I1469 WeakPolarHBondContact CB-O 3.39Å; L1422-I1469 PolarHBondContact N-O 2.65Å; L1422-I1469 PolarHBondContact O-N 2.04Å; V1424-I1469 HydrophobicContact CG2-CD1 4.38Å; L1440-I1469 HydrophobicContact CD2-CD1 4.34Å; L1440-I1469 HydrophobicContact CD2-CG1 4.27Å; W1442-I1469 HydrophobicContact CB-CD1 4.31Å; W1442-I1469 HydrophobicContact CD2-CD1 4.02Å; W1442-I1469 HydrophobicContact CD2-CG2 3.87Å; W1442-I1469 VanDerWaalsContact CE2-CG2 3.48Å; W1442-I1469 HydrophobicContact CE3-CD1 4.07Å; W1442-I1469 HydrophobicContact CE3-CG1 4.45Å; W1442-I1469 HydrophobicContact CE3-CG2 4.42Å; W1442-I1469 HydrophobicContact CG-CD1 4.15Å; W1442-I1469 HydrophobicContact CG-CG2 4.31Å; W1442-I1469 HydrophobicContact CH2-CG2 4.33Å; W1442-I1469 HydrophobicContact CZ2-CG2 3.74Å; Y1467-I1469 HydrophobicContact CD1-CG1 4.03Å; Y1467-I1469 HydrophobicContact CE1-CG1 4.25Å; I1469-L1472 HydrophobicContact CB-CD1 4.23Å; I1469-L1472 HydrophobicContact CG2-CD1 4Å; I1469-L1472 HydrophobicContact CG2-CD2 3.8Å; I1469-L1472 HydrophobicContact CG2-CG 4.08Å; I1469-V1480 HydrophobicContact CD1-CG1 4.06Å; I1469-V1480 HydrophobicContact CD1-CG2 4.14Å
1470	T	86.8	Confident	81.4	Confident	105 Å²	105	51.7 Å²	51.7	64%	0.644	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	162.2	-175.4	57.4	0	0	0	0	111.3	T1420	T1420-T1470 CarbonylContact O-C 3.55Å; T1420-T1470 WeakPolarHBondContact O-CA 3.37Å
1471	G	80.6	Confident	81.8	Confident	73 Å²	73	49 Å²	49	75%	0.753	28%	0.282	S	S	*	.	S	Bend	trans	81.3	17.1	-177	0	0	0	0	0	113.9	T1420	T1420-G1471 PolarHBondContact O-N 2.9Å
1472	L	86.9	Confident	82.8	Confident	11 Å²	11	46.2 Å²	46.2	6%	0.058	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-76.2	157.6	-179.3	-58.8	176.6	0	0	0	111.8	T1420 L1422 I1469 Y1478 T1502	T1420-L1472 WeakPolarHBondContact CA-O 3.34Å; T1420-L1472 PolarHBondContact O-N 3.17Å; L1422-L1472 HydrophobicContact CB-CD1 3.98Å; L1422-L1472 HydrophobicContact CD1-CD1 3.66Å; L1422-L1472 HydrophobicContact CG-CD1 3.58Å; I1469-L1472 HydrophobicContact CB-CD1 4.23Å; I1469-L1472 HydrophobicContact CG2-CD1 4Å; I1469-L1472 HydrophobicContact CG2-CD2 3.8Å; I1469-L1472 HydrophobicContact CG2-CG 4.08Å; L1472-Y1478 HydrophobicContact CB-CE2 3.83Å; L1472-Y1478 HydrophobicContact CD1-CD2 4.34Å; L1472-Y1478 HydrophobicContact CD1-CE2 4.26Å; L1472-Y1478 HydrophobicContact CD2-CD1 4.25Å; L1472-Y1478 HydrophobicContact CD2-CE1 3.76Å; L1472-Y1478 HydrophobicContact CD2-CE2 4.06Å; L1472-Y1478 HydrophobicContact CG-CE2 4.27Å; L1472-T1502 HydrophobicContact CB-CG2 3.91Å; L1472-T1502 HydrophobicContact CD1-CG2 4.21Å
1473	Q	77.7	Confident	83.7	Confident	124 Å²	124	43.7 Å²	43.7	58%	0.579	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-73.9	154.3	175.7	-64.4	177.3	6.7	0	0	111	S1419 T1476 Y1478 T1502	S1419-Q1473 CarbonylContact O-C 3.56Å; Q1473-T1476 HydrophobicContact CB-CG2 4.33Å; Q1473-T1476 WeakPolarHBondContact CB-OG1 3.26Å; Q1473-Y1478 PolarHBondContact N-OH 2.99Å; Q1473-T1502 WeakPolarHBondContact O-CB 3.32Å; Q1473-T1502 WeakPolarHBondContact O-CG2 3.16Å; Q1473-T1502 PolarHBondContact O-OG1 2.84Å
1474	K	76.4	Confident	84.5	Confident	104 Å²	104	42.5 Å²	42.5	45%	0.452	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	145.1	-176.8	-50	-168.1	-178.4	-177.8	0	111.6	S1419 T1420 T1476 D1506	S1419-K1474 VanDerWaalsContact O-CA 3.31Å; S1419-K1474 WeakPolarHBondContact O-CA 3.26Å; T1420-K1474 HydrophobicContact CG2-CG 4.3Å; K1474-T1476 PolarHBondContact O-N 2.89Å; K1474-T1476 PolarHBondContact O-OG1 3.37Å; K1474-T1476 VanDerWaalsContact O-OG1 3.11Å; K1474-D1506 WeakPolarHBondContact CE-OD1 2.99Å; K1474-D1506 IonicContact NZ-OD1 3.27Å; K1474-D1506 PolarHBondContact NZ-OD1 2.85Å; K1474-D1506 IonicContact NZ-OD2 2.97Å; K1474-D1506 PolarHBondContact NZ-OD2 3.43Å
1475	A	70.7	Confident	85.2	Confident	65 Å²	65	44.7 Å²	44.7	54%	0.537	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	18.7	-174.5	0	0	0	0	0	115.2	T1502 S1503 A1504	A1475-T1502 PolarHBondContact N-OG1 2.93Å; A1475-S1503 PolarHBondContact N-O 2.95Å; A1475-A1504 HydrophobicContact CB-CB 3.86Å
1476	T	76.4	Confident	85.4	Confident	19 Å²	19	44.2 Å²	44.2	12%	0.117	25%	0.251	C	S	.	.			trans	-103.4	132.5	-168.8	-51.1	0	0	0	0	111.1	P1444 Q1473 K1474 Y1478 S1501 T1502	P1444-T1476 HydrophobicContact CB-CG2 4.47Å; Q1473-T1476 HydrophobicContact CB-CG2 4.33Å; Q1473-T1476 WeakPolarHBondContact CB-OG1 3.26Å; K1474-T1476 PolarHBondContact O-N 2.89Å; K1474-T1476 PolarHBondContact O-OG1 3.37Å; K1474-T1476 VanDerWaalsContact O-OG1 3.11Å; T1476-Y1478 HydrophobicContact CG2-CD2 4.27Å; T1476-Y1478 HydrophobicContact CG2-CE2 3.68Å; T1476-Y1478 WeakPolarHBondContact O-CD2 2.93Å; T1476-S1501 WeakPolarHBondContact O-CA 3.31Å; T1476-T1502 PolarHBondContact N-OG1 2.82Å; T1476-T1502 PolarHBondContact O-N 2.69Å; T1476-T1502 PolarHBondContact O-OG1 2.79Å
1477	T	82.9	Confident	85.5	Confident	28 Å²	28	46 Å²	46	17%	0.172	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.1	174.5	-58.9	0	0	0	0	110.4	N1445 L1499 S1501	N1445-T1477 HydrophobicContact CB-CG2 4.18Å; N1445-T1477 VanDerWaalsContact CB-O 3.3Å; N1445-T1477 WeakPolarHBondContact CB-O 3.37Å; N1445-T1477 PolarHBondContact N-O 3.41Å; T1477-L1499 HydrophobicContact CG2-CD2 4Å; T1477-S1501 PolarHBondContact OG1-OG 3.5Å
1478	Y	85.3	Confident	84.8	Confident	11 Å²	11	46.1 Å²	46.1	4%	0.043	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.4	178.2	-71.6	-91.9	0	0	0	111.3	L1422 H1443 P1444 L1472 Q1473 T1476 L1499 A1500 T1502	L1422-Y1478 HydrophobicContact CD1-CD2 4.07Å; L1422-Y1478 HydrophobicContact CD1-CG 4.39Å; H1443-Y1478 WeakPolarHBondContact O-CA 3.06Å; H1443-Y1478 WeakPolarHBondContact O-CD1 3.4Å; P1444-Y1478 HydrophobicContact CB-CE1 4.33Å; P1444-Y1478 HydrophobicContact CG-CD1 4.41Å; P1444-Y1478 HydrophobicContact CG-CE1 3.86Å; L1472-Y1478 HydrophobicContact CB-CE2 3.83Å; L1472-Y1478 HydrophobicContact CD1-CD2 4.34Å; L1472-Y1478 HydrophobicContact CD1-CE2 4.26Å; L1472-Y1478 HydrophobicContact CD2-CD1 4.25Å; L1472-Y1478 HydrophobicContact CD2-CE1 3.76Å; L1472-Y1478 HydrophobicContact CD2-CE2 4.06Å; L1472-Y1478 HydrophobicContact CG-CE2 4.27Å; Q1473-Y1478 PolarHBondContact N-OH 2.99Å; T1476-Y1478 HydrophobicContact CG2-CD2 4.27Å; T1476-Y1478 HydrophobicContact CG2-CE2 3.68Å; T1476-Y1478 WeakPolarHBondContact O-CD2 2.93Å; Y1478-L1499 WeakPolarHBondContact O-CA 3.38Å; Y1478-A1500 PolarHBondContact N-O 2.81Å; Y1478-A1500 PolarHBondContact O-N 2.99Å; Y1478-T1502 HydrophobicContact CE2-CG2 4.37Å
1479	R	88.5	Confident	84.2	Confident	73 Å²	73	45.5 Å²	45.5	28%	0.275	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.1	162.3	-62.6	-172.9	-163.9	160.6	7.9	108.2	W1442 H1443 N1445 Y1497 L1498 L1499	W1442-R1479 WeakPolarHBondContact CA-O 3.16Å; H1443-R1479 PolarHBondContact N-O 3.1Å; H1443-R1479 VanDerWaalsContact N-O 3.11Å; H1443-R1479 PolarHBondContact O-N 2.69Å; N1445-R1479 VanDerWaalsContact OD1-CZ 3.27Å; N1445-R1479 PolarHBondContact OD1-NE 3.24Å; N1445-R1479 PolarHBondContact OD1-NH2 2.86Å; R1479-Y1497 HydrophobicContact CB-CD2 4.49Å; R1479-Y1497 HydrophobicContact CB-CG 4.47Å; R1479-Y1497 HydrophobicContact CG-CD2 4.13Å; R1479-Y1497 HydrophobicContact CG-CG 4.45Å; R1479-L1498 WeakPolarHBondContact CA-O 3.29Å; R1479-L1499 HydrophobicContact CG-CD2 3.84Å
1480	V	88.6	Confident	83.5	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.2	179.6	-172.1	0	0	0	0	109.9	V1424 L1440 H1441 W1442 I1469 Y1497 L1498	V1424-V1480 HydrophobicContact CG1-CG1 4.34Å; V1424-V1480 HydrophobicContact CG2-CG1 4.42Å; L1440-V1480 HydrophobicContact CD1-CG1 3.71Å; L1440-V1480 HydrophobicContact CG-CG1 4.44Å; H1441-V1480 CarbonylContact O-C 3.48Å; H1441-V1480 WeakPolarHBondContact O-CA 3.21Å; W1442-V1480 HydrophobicContact CB-CG1 4.49Å; W1442-V1480 HydrophobicContact CB-CG2 4.03Å; I1469-V1480 HydrophobicContact CD1-CG1 4.06Å; I1469-V1480 HydrophobicContact CD1-CG2 4.14Å; V1480-Y1497 CarbonylContact O-C 3.59Å; V1480-Y1497 WeakPolarHBondContact O-CA 3.36Å; V1480-L1498 HydrophobicContact CB-CB 4.5Å; V1480-L1498 PolarHBondContact N-O 3.33Å; V1480-L1498 PolarHBondContact O-N 2.82Å
1481	S	90.1	Very high	83.2	Confident	14 Å²	14	48.1 Å²	48.1	10%	0.098	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159	179.1	76	0	0	0	0	111.5	H1441 F1494	H1441-S1481 PolarHBondContact N-O 2.86Å; H1441-S1481 PolarHBondContact O-N 3.42Å; S1481-F1494 WeakPolarHBondContact OG-CD1 3.16Å
1482	V	91.9	Very high	83.5	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.9	177.9	63.5	0	0	0	0	111.5	P1409 W1426 F1438 L1439 L1440 F1494 T1495	P1409-V1482 HydrophobicContact CB-CG1 3.87Å; P1409-V1482 HydrophobicContact CG-CG1 4.2Å; P1409-V1482 HydrophobicContact CG-CG2 4.36Å; W1426-V1482 HydrophobicContact CB-CG1 4.44Å; W1426-V1482 HydrophobicContact CD2-CG1 4.46Å; W1426-V1482 HydrophobicContact CD2-CG2 4.47Å; W1426-V1482 HydrophobicContact CG-CG1 4.16Å; F1438-V1482 HydrophobicContact CB-CG2 3.95Å; F1438-V1482 HydrophobicContact CD1-CG2 4.31Å; L1439-V1482 WeakPolarHBondContact O-CA 3.05Å; L1440-V1482 HydrophobicContact CD1-CB 4.24Å; V1482-F1494 CarbonylContact O-C 3.5Å; V1482-F1494 WeakPolarHBondContact O-CA 3.37Å; V1482-T1495 HydrophobicContact CG1-CG2 3.72Å; V1482-T1495 PolarHBondContact N-OG1 2.95Å; V1482-T1495 VanDerWaalsContact N-OG1 3.13Å; V1482-T1495 WeakPolarHBondContact O-CG2 3.14Å; V1482-T1495 PolarHBondContact O-N 3.43Å; V1482-T1495 PolarHBondContact O-OG1 3.04Å
1483	S	92.3	Very high	83.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	166.4	169.5	53.6	0	0	0	0	110.4	F1438 L1439 S1493 F1494	F1438-S1483 CarbonylContact C-O 3.4Å; F1438-S1483 VanDerWaalsContact CA-O 3.24Å; F1438-S1483 WeakPolarHBondContact CA-O 3.22Å; L1439-S1483 PolarHBondContact N-O 2.95Å; L1439-S1483 PolarHBondContact O-N 2.75Å; S1483-S1493 WeakPolarHBondContact CB-O 3.48Å; S1483-F1494 WeakPolarHBondContact OG-CE1 3.4Å; S1483-F1494 WeakPolarHBondContact OG-CZ 3.39Å
1484	A	92.3	Very high	83.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.1	176.5	0	0	0	0	0	111.5	P1406 P1409 S1437 F1438 T1491 T1492	P1406-A1484 HydrophobicContact CB-CB 4.1Å; P1409-A1484 HydrophobicContact CG-CB 4.07Å; S1437-A1484 CarbonylContact O-C 3.48Å; S1437-A1484 WeakPolarHBondContact O-CA 3.48Å; F1438-A1484 HydrophobicContact CD1-CB 4.02Å; F1438-A1484 HydrophobicContact CE1-CB 3.99Å; A1484-T1491 CarbonylContact O-C 3.57Å; A1484-T1491 WeakPolarHBondContact O-CA 3.24Å; A1484-T1492 HydrophobicContact CB-CG2 4.31Å; A1484-T1492 PolarHBondContact N-OG1 3.1Å; A1484-T1492 PolarHBondContact O-N 2.65Å; A1484-T1492 PolarHBondContact O-OG1 3.18Å
1485	Y	91.7	Very high	84.4	Confident	70 Å²	70	42.2 Å²	42.2	28%	0.275	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	159.4	170.9	67.9	-86.7	0	0	0	111.1	Q1436 S1437 T1491	Q1436-Y1485 CarbonylContact C-O 2.95Å; Q1436-Y1485 VanDerWaalsContact CA-O 3.22Å; Q1436-Y1485 WeakPolarHBondContact CA-O 3.17Å; S1437-Y1485 VanDerWaalsContact CB-CZ 3.49Å; S1437-Y1485 PolarHBondContact N-O 3.31Å; S1437-Y1485 VanDerWaalsContact O-CD1 3.28Å; S1437-Y1485 WeakPolarHBondContact O-CD1 3.46Å; S1437-Y1485 PolarHBondContact O-N 3.04Å; Y1485-T1491 HydrophobicContact CD1-CG2 4.24Å; Y1485-T1491 HydrophobicContact CG-CG2 4.36Å
1486	N	88.6	Confident	84.7	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.043	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-135.5	177.8	171.3	73.4	18.4	0	0	0	110.6	T1404 P1406 N1431 P1434 L1488 T1489	T1404-N1486 PolarHBondContact O-ND2 3.03Å; P1406-N1486 WeakPolarHBondContact CD-ND2 3.32Å; P1406-N1486 HydrophobicContact CG-CB 3.83Å; N1431-N1486 PolarHBondContact O-ND2 2.85Å; P1434-N1486 HydrophobicContact CB-CB 4.28Å; P1434-N1486 HydrophobicContact CG-CB 4.48Å; N1486-L1488 PolarHBondContact O-N 3.1Å; N1486-L1488 PolarHBondContact OD1-N 2.85Å; N1486-T1489 PolarHBondContact O-N 2.79Å; N1486-T1489 VanDerWaalsContact O-O 3.12Å; N1486-T1489 PolarHBondContact OD1-N 2.88Å; N1486-T1489 PolarHBondContact OD1-OG1 2.87Å
1487	T	82.2	Confident	84.9	Confident	114 Å²	114	49.9 Å²	49.9	70%	0.699	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.3	-175.4	53.9	0	0	0	0	115.3	P1434	P1434-T1487 VanDerWaalsContact CB-OG1 3.31Å; P1434-T1487 WeakPolarHBondContact CB-OG1 3.31Å
1488	L	76.4	Confident	84.7	Confident	85 Å²	85	50.2 Å²	50.2	45%	0.445	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-15.7	-179	-67.1	176.2	0	0	0	113.5	P1403 P1434 N1486	P1403-L1488 HydrophobicContact CB-CD1 3.56Å; P1434-L1488 HydrophobicContact CG-CB 4.49Å; P1434-L1488 HydrophobicContact CG-CD1 3.51Å; P1434-L1488 HydrophobicContact CG-CG 3.71Å; N1486-L1488 PolarHBondContact O-N 3.1Å; N1486-L1488 PolarHBondContact OD1-N 2.85Å
1489	T	72.1	Confident	84.5	Confident	45 Å²	45	51.6 Å²	51.6	28%	0.276	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-145.9	157.5	-163	58	0	0	0	0	113.5	Q1405 P1406 N1486	Q1405-T1489 WeakPolarHBondContact CA-OG1 3.31Å; Q1405-T1489 HydrophobicContact CB-CG2 3.86Å; Q1405-T1489 HydrophobicContact CG-CG2 4.32Å; P1406-T1489 WeakPolarHBondContact CD-OG1 3.3Å; N1486-T1489 PolarHBondContact O-N 2.79Å; N1486-T1489 VanDerWaalsContact O-O 3.12Å; N1486-T1489 PolarHBondContact OD1-N 2.88Å; N1486-T1489 PolarHBondContact OD1-OG1 2.87Å
1490	S	75.1	Confident	83.8	Confident	89 Å²	89	48.2 Å²	48.2	62%	0.622	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-67.4	163	171.9	52.9	0	0	0	0	111.8	Q1405	Q1405-S1490 PolarHBondContact NE2-O 2.89Å
1491	T	80.8	Confident	83.2	Confident	72 Å²	72	50.7 Å²	50.7	44%	0.442	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-49.6	139.1	171	47.9	0	0	0	0	111.8	A1484 Y1485	A1484-T1491 CarbonylContact O-C 3.57Å; A1484-T1491 WeakPolarHBondContact O-CA 3.24Å; Y1485-T1491 HydrophobicContact CD1-CG2 4.24Å; Y1485-T1491 HydrophobicContact CG-CG2 4.36Å
1492	T	86.9	Confident	82.5	Confident	15 Å²	15	50.4 Å²	50.4	9%	0.092	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-59.7	170	162.2	65.9	0	0	0	0	109.9	Q1405 A1484	Q1405-T1492 HydrophobicContact CG-CG2 4.42Å; A1484-T1492 HydrophobicContact CB-CG2 4.31Å; A1484-T1492 PolarHBondContact N-OG1 3.1Å; A1484-T1492 PolarHBondContact O-N 2.65Å; A1484-T1492 PolarHBondContact O-OG1 3.18Å
1493	S	85.7	Confident	81	Confident	86 Å²	86	52.4 Å²	52.4	60%	0.601	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-55.3	158.2	158.6	47.8	0	0	0	0	110.8	L1408 S1483	L1408-S1493 WeakPolarHBondContact CD1-O 3.4Å; S1483-S1493 WeakPolarHBondContact CB-O 3.48Å
1494	F	86.8	Confident	78.7	Confident	80 Å²	80	55.6 Å²	55.6	35%	0.351	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-74.1	151.8	165.8	-74.9	-90.8	0	0	0	110.4	L1439 H1441 S1481 V1482 S1483	L1439-F1494 HydrophobicContact CD2-CE1 4.32Å; L1439-F1494 HydrophobicContact CD2-CZ 3.69Å; L1439-F1494 HydrophobicContact CG-CE1 4.12Å; L1439-F1494 HydrophobicContact CG-CZ 3.98Å; L1439-F1494 WeakPolarHBondContact O-CE1 3.29Å; H1441-F1494 HydrophobicContact CB-CD1 4.39Å; H1441-F1494 HydrophobicContact CB-CE1 3.67Å; H1441-F1494 HydrophobicContact CB-CZ 4.21Å; S1481-F1494 WeakPolarHBondContact OG-CD1 3.16Å; V1482-F1494 CarbonylContact O-C 3.5Å; V1482-F1494 WeakPolarHBondContact O-CA 3.37Å; S1483-F1494 WeakPolarHBondContact OG-CE1 3.4Å; S1483-F1494 WeakPolarHBondContact OG-CZ 3.39Å
1495	T	86.5	Confident	76.4	Confident	8 Å²	8	63.2 Å²	63.2	5%	0.049	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-59.2	157.4	165.6	57.7	0	0	0	0	110.9	P1409 V1482 Y1497	P1409-T1495 HydrophobicContact CB-CG2 4.19Å; P1409-T1495 VanDerWaalsContact O-CG2 3.31Å; P1409-T1495 WeakPolarHBondContact O-CG2 3.07Å; V1482-T1495 HydrophobicContact CG1-CG2 3.72Å; V1482-T1495 PolarHBondContact N-OG1 2.95Å; V1482-T1495 VanDerWaalsContact N-OG1 3.13Å; V1482-T1495 WeakPolarHBondContact O-CG2 3.14Å; V1482-T1495 PolarHBondContact O-N 3.43Å; V1482-T1495 PolarHBondContact O-OG1 3.04Å; T1495-Y1497 PolarHBondContact O-N 3.3Å
1496	P	78.5	Confident	73.9	Confident	109 Å²	109	62.9 Å²	62.9	71%	0.708	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-47.4	142.1	158.8	-25.3	35	0	0	0	110.7
1497	Y	78.8	Confident	71.4	Confident	136 Å²	136	66.6 Å²	66.6	53%	0.533	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-72.4	137.7	-176.5	56.3	-95.3	0	0	0	111.4	R1479 V1480 T1495 L1499	R1479-Y1497 HydrophobicContact CB-CD2 4.49Å; R1479-Y1497 HydrophobicContact CB-CG 4.47Å; R1479-Y1497 HydrophobicContact CG-CD2 4.13Å; R1479-Y1497 HydrophobicContact CG-CG 4.45Å; V1480-Y1497 CarbonylContact O-C 3.59Å; V1480-Y1497 WeakPolarHBondContact O-CA 3.36Å; T1495-Y1497 PolarHBondContact O-N 3.3Å; Y1497-L1499 HydrophobicContact CD2-CD2 4.43Å; Y1497-L1499 HydrophobicContact CD2-CG 4.1Å; Y1497-L1499 HydrophobicContact CE2-CD1 4.27Å; Y1497-L1499 HydrophobicContact CE2-CD2 4.42Å; Y1497-L1499 HydrophobicContact CE2-CG 4.06Å
1498	L	79.8	Confident	69	Low	35 Å²	35	63.4 Å²	63.4	18%	0.183	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	126	164.7	176.3	67.1	0	0	0	108.2	L1414 V1424 R1479 V1480	L1414-L1498 HydrophobicContact CB-CD2 4.23Å; V1424-L1498 HydrophobicContact CG1-CD2 3.9Å; V1424-L1498 HydrophobicContact CG2-CD2 4.36Å; R1479-L1498 WeakPolarHBondContact CA-O 3.29Å; V1480-L1498 HydrophobicContact CB-CB 4.5Å; V1480-L1498 PolarHBondContact N-O 3.33Å; V1480-L1498 PolarHBondContact O-N 2.82Å
1499	L	80.5	Confident	67	Low	39 Å²	39	62.5 Å²	62.5	20%	0.204	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.6	166	-74.5	167.3	0	0	0	109	T1477 Y1478 R1479 Y1497 I1686 F1687	T1477-L1499 HydrophobicContact CG2-CD2 4Å; Y1478-L1499 WeakPolarHBondContact O-CA 3.38Å; R1479-L1499 HydrophobicContact CG-CD2 3.84Å; Y1497-L1499 HydrophobicContact CD2-CD2 4.43Å; Y1497-L1499 HydrophobicContact CD2-CG 4.1Å; Y1497-L1499 HydrophobicContact CE2-CD1 4.27Å; Y1497-L1499 HydrophobicContact CE2-CD2 4.42Å; Y1497-L1499 HydrophobicContact CE2-CG 4.06Å; L1499-I1686 HydrophobicContact CD1-CD1 4.47Å; L1499-I1686 HydrophobicContact CD1-CG2 4.38Å; L1499-F1687 HydrophobicContact CD1-CD1 4.41Å; L1499-F1687 HydrophobicContact CD1-CD2 4.05Å; L1499-F1687 HydrophobicContact CD1-CE1 4.09Å; L1499-F1687 HydrophobicContact CD1-CE2 3.7Å; L1499-F1687 HydrophobicContact CD1-CG 4.39Å; L1499-F1687 HydrophobicContact CD1-CZ 3.72Å
1500	A	74.2	Confident	65	Low	3 Å²	3	62 Å²	62	3%	0.025	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	134.7	179.5	0	0	0	0	0	110.8	L1414 L1422 Y1478	L1414-A1500 HydrophobicContact CD1-CB 3.89Å; L1414-A1500 HydrophobicContact CD2-CB 3.9Å; L1414-A1500 HydrophobicContact CG-CB 4.39Å; L1422-A1500 HydrophobicContact CD1-CB 3.84Å; L1422-A1500 HydrophobicContact CD2-CB 4.25Å; Y1478-A1500 PolarHBondContact N-O 2.81Å; Y1478-A1500 PolarHBondContact O-N 2.99Å
1501	S	76.5	Confident	63.1	Low	55 Å²	55	63.4 Å²	63.4	39%	0.385	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.5	-174.7	-47.7	0	0	0	0	111.5	T1476 T1477	T1476-S1501 WeakPolarHBondContact O-CA 3.31Å; T1477-S1501 PolarHBondContact OG1-OG 3.5Å
1502	T	75.8	Confident	60.9	Low	7 Å²	7	64.2 Å²	64.2	4%	0.043	37%	0.367	C	S	.	.			trans	-74.3	153.8	169.7	54.4	0	0	0	0	111	T1418 S1419 L1422 L1472 Q1473 A1475 T1476 Y1478	T1418-T1502 CarbonylContact O-C 3.57Å; T1418-T1502 WeakPolarHBondContact O-CA 3.49Å; T1418-T1502 WeakPolarHBondContact O-CB 3.35Å; S1419-T1502 WeakPolarHBondContact O-CB 3.37Å; L1422-T1502 HydrophobicContact CD2-CG2 4.23Å; L1422-T1502 HydrophobicContact CG-CG2 4.17Å; L1472-T1502 HydrophobicContact CB-CG2 3.91Å; L1472-T1502 HydrophobicContact CD1-CG2 4.21Å; Q1473-T1502 WeakPolarHBondContact O-CB 3.32Å; Q1473-T1502 WeakPolarHBondContact O-CG2 3.16Å; Q1473-T1502 PolarHBondContact O-OG1 2.84Å; A1475-T1502 PolarHBondContact N-OG1 2.93Å; T1476-T1502 PolarHBondContact N-OG1 2.82Å; T1476-T1502 PolarHBondContact O-N 2.69Å; T1476-T1502 PolarHBondContact O-OG1 2.79Å; Y1478-T1502 HydrophobicContact CE2-CG2 4.37Å
1503	S	59.9	Low	58.3	Low	45 Å²	45	65 Å²	65	32%	0.315	38%	0.375	S	S	.	.			trans	-71.4	147.2	177.4	59.5	0	0	0	0	111.7	T1418 S1419 A1475 F1505	T1418-S1503 PolarHBondContact O-N 3.32Å; S1419-S1503 WeakPolarHBondContact CA-O 3.43Å; S1419-S1503 WeakPolarHBondContact CA-OG 3.23Å; S1419-S1503 PolarHBondContact N-OG 2.63Å; A1475-S1503 PolarHBondContact N-O 2.95Å; S1503-F1505 WeakPolarHBondContact CB-O 3.47Å; S1503-F1505 PolarHBondContact OG-O 2.87Å
1504	A	43.5	Very low	55.7	Low	66 Å²	66	61.7 Å²	61.7	55%	0.545	35%	0.35	S	S	.	.	S	Bend	trans	-71.5	-32.2	-179.8	0	0	0	0	0	113.2	A1475	A1475-A1504 HydrophobicContact CB-CB 3.86Å
1505	F	43.3	Very low	53.5	Low	161 Å²	161	65 Å²	65	71%	0.706	36%	0.361	S	S	*	.	S	Bend	trans	-96.1	148.9	168.7	-62.6	-87.9	0	0	0	109.2	S1419 S1503	S1419-F1505 WeakPolarHBondContact CB-O 3.39Å; S1503-F1505 WeakPolarHBondContact CB-O 3.47Å; S1503-F1505 PolarHBondContact OG-O 2.87Å
1506	D	41	Very low	51.1	Low	63 Å²	63	67.8 Å²	67.8	34%	0.337	38%	0.375	S	S	.	.			trans	-54.3	142.5	156.7	-61	-51.9	0	0	0	108.7	S1419 K1474 L1508	S1419-D1506 WeakPolarHBondContact CB-OD1 3.37Å; S1419-D1506 WeakPolarHBondContact OG-CA 3.26Å; S1419-D1506 PolarHBondContact OG-OD1 3.12Å; K1474-D1506 WeakPolarHBondContact CE-OD1 2.99Å; K1474-D1506 IonicContact NZ-OD1 3.27Å; K1474-D1506 PolarHBondContact NZ-OD1 2.85Å; K1474-D1506 IonicContact NZ-OD2 2.97Å; K1474-D1506 PolarHBondContact NZ-OD2 3.43Å; D1506-L1508 HydrophobicContact CB-CG 4.42Å; D1506-L1508 WeakPolarHBondContact O-CD1 3.41Å; D1506-L1508 PolarHBondContact O-N 3.47Å
1507	S	35.1	Very low	49.1	Very low	86 Å²	86	66.2 Å²	66.2	60%	0.601	36%	0.358	S	S	*	.			trans	-63.9	83.5	149.3	54.3	0	0	0	0	105
1508	L	32.3	Very low	46.8	Very low	47 Å²	47	62.1 Å²	62.1	25%	0.246	35%	0.352	C	S	.	.			trans	-51.9	146.2	-163.7	-68.6	105	0	0	0	109.1	D1506 G1510 E1512 A1513	D1506-L1508 HydrophobicContact CB-CG 4.42Å; D1506-L1508 WeakPolarHBondContact O-CD1 3.41Å; D1506-L1508 PolarHBondContact O-N 3.47Å; L1508-G1510 PolarHBondContact O-N 3.49Å; L1508-E1512 HydrophobicContact CB-CB 3.86Å; L1508-E1512 HydrophobicContact CD2-CB 3.8Å; L1508-E1512 HydrophobicContact CG-CB 4.49Å; L1508-A1513 HydrophobicContact CB-CB 3.9Å; L1508-A1513 VanDerWaalsContact CB-N 3.29Å
1509	S	33.5	Very low	44.7	Very low	65 Å²	65	65.7 Å²	65.7	46%	0.455	37%	0.366	S	S	.	.			trans	-50.2	137	175.6	77.8	0	0	0	0	108	E1511 E1512 A1513	S1509-E1511 PolarHBondContact O-N 2.87Å; S1509-E1512 WeakPolarHBondContact O-CA 3.49Å; S1509-E1512 WeakPolarHBondContact O-CB 3.34Å; S1509-E1512 PolarHBondContact O-N 3.43Å; S1509-E1512 PolarHBondContact OG-OE2 3.33Å; S1509-A1513 PolarHBondContact O-N 2.9Å
1510	G	30.2	Very low	42.3	Very low	35 Å²	35	66.3 Å²	66.3	36%	0.361	38%	0.377	S	S	.	.	H	α-helix	trans	-46.7	-45.1	-155.3	0	0	0	0	0	114.3	L1508 E1512 A1513 M1514	L1508-G1510 PolarHBondContact O-N 3.49Å; G1510-E1512 VanDerWaalsContact C-N 3.27Å; G1510-E1512 PolarHBondContact O-N 2.91Å; G1510-A1513 PolarHBondContact O-N 3.37Å; G1510-M1514 WeakPolarHBondContact O-CB 3.3Å; G1510-M1514 WeakPolarHBondContact O-CG 3.42Å; G1510-M1514 PolarHBondContact O-N 3.01Å
1511	E	36	Very low	40.4	Very low	119 Å²	119	71.6 Å²	71.6	56%	0.556	40%	0.4	S	S	*	.	H	α-helix	trans	-51.1	-36.3	174.4	-59.7	-178.5	82.4	0	0	115.3	S1509 R1515	S1509-E1511 PolarHBondContact O-N 2.87Å; E1511-R1515 WeakPolarHBondContact O-CG 3.26Å; E1511-R1515 PolarHBondContact O-N 3.22Å
1512	E	34.7	Very low	38.3	Very low	88 Å²	88	70.9 Å²	70.9	41%	0.411	40%	0.395	S	S	.	.	H	α-helix	trans	-88	-35.5	-178.4	-63.2	173.1	128	0	0	112.1	L1508 S1509 G1510 M1514 R1515 D1516	L1508-E1512 HydrophobicContact CB-CB 3.86Å; L1508-E1512 HydrophobicContact CD2-CB 3.8Å; L1508-E1512 HydrophobicContact CG-CB 4.49Å; S1509-E1512 WeakPolarHBondContact O-CA 3.49Å; S1509-E1512 WeakPolarHBondContact O-CB 3.34Å; S1509-E1512 PolarHBondContact O-N 3.43Å; S1509-E1512 PolarHBondContact OG-OE2 3.33Å; G1510-E1512 VanDerWaalsContact C-N 3.27Å; G1510-E1512 PolarHBondContact O-N 2.91Å; E1512-M1514 PolarHBondContact O-N 2.94Å; E1512-R1515 WeakPolarHBondContact O-CB 3.3Å; E1512-R1515 PolarHBondContact O-N 3.12Å; E1512-R1515 VanDerWaalsContact O-N 3.08Å; E1512-D1516 PolarHBondContact O-N 3.08Å
1513	A	31.4	Very low	36.2	Very low	31 Å²	31	76.9 Å²	76.9	26%	0.256	43%	0.426	S	S	.	.	H	α-helix	trans	-58.9	-43	170	0	0	0	0	0	110	L1508 S1509 G1510 R1515 D1516 E1517	L1508-A1513 HydrophobicContact CB-CB 3.9Å; L1508-A1513 VanDerWaalsContact CB-N 3.29Å; S1509-A1513 PolarHBondContact O-N 2.9Å; G1510-A1513 PolarHBondContact O-N 3.37Å; A1513-R1515 PolarHBondContact O-N 2.85Å; A1513-D1516 PolarHBondContact O-N 2.6Å; A1513-E1517 WeakPolarHBondContact O-CB 3.31Å; A1513-E1517 PolarHBondContact O-N 2.79Å
1514	M	31.9	Very low	34.7	Very low	17 Å²	17	83.1 Å²	83.1	8%	0.084	45%	0.447	C	S	.	.	H	α-helix	trans	-62.1	-37.1	173.8	-73.3	149.9	44.6	0	0	113	V1029 G1262 I1263 G1264 G1510 E1512 A1518	V1029-M1514 HydrophobicContact CB-CE 3.84Å; V1029-M1514 HydrophobicContact CG1-CE 3.12Å; V1029-M1514 HydrophobicContact CG2-CB 4.26Å; V1029-M1514 HydrophobicContact CG2-CE 3.34Å; G1262-M1514 VanDerWaalsContact O-CG 3.31Å; G1262-M1514 WeakPolarHBondContact O-CG 3.4Å; I1263-M1514 HydrophobicContact CB-CG 3.98Å; I1263-M1514 HydrophobicContact CB-SD 4.12Å; I1263-M1514 HydrophobicContact CG1-CG 4.03Å; I1263-M1514 HydrophobicContact CG2-CE 3.64Å; I1263-M1514 HydrophobicContact CG2-CG 3.88Å; I1263-M1514 HydrophobicContact CG2-SD 3.58Å; I1263-M1514 VanDerWaalsContact CG2-SD 3.58Å; G1264-M1514 PolarHBondContact N-SD 3.15Å; G1510-M1514 WeakPolarHBondContact O-CB 3.3Å; G1510-M1514 WeakPolarHBondContact O-CG 3.42Å; G1510-M1514 PolarHBondContact O-N 3.01Å; E1512-M1514 PolarHBondContact O-N 2.94Å; M1514-A1518 WeakPolarHBondContact O-CB 3.12Å; M1514-A1518 PolarHBondContact O-N 2.7Å
1515	R	41.3	Very low	34	Very low	151 Å²	151	86.6 Å²	86.6	57%	0.57	46%	0.457	S	S	*	.	H	α-helix	trans	-66.8	-47.3	174.7	-78.9	173.9	-177.5	162.4	5.6	111.9	E1511 E1512 A1513 A1518 K1519	E1511-R1515 WeakPolarHBondContact O-CG 3.26Å; E1511-R1515 PolarHBondContact O-N 3.22Å; E1512-R1515 WeakPolarHBondContact O-CB 3.3Å; E1512-R1515 PolarHBondContact O-N 3.12Å; E1512-R1515 VanDerWaalsContact O-N 3.08Å; A1513-R1515 PolarHBondContact O-N 2.85Å; R1515-A1518 PolarHBondContact O-N 3.5Å; R1515-K1519 WeakPolarHBondContact O-CG 3.05Å; R1515-K1519 PolarHBondContact O-N 2.88Å
1516	D	35.5	Very low	33.3	Very low	65 Å²	65	83 Å²	83	35%	0.348	44%	0.444	S	S	.	.	H	α-helix	trans	-81.3	-29.1	-173.5	-75.4	-4.2	0	0	0	112.6	E1512 A1513 K1519 A1520	E1512-D1516 PolarHBondContact O-N 3.08Å; A1513-D1516 PolarHBondContact O-N 2.6Å; D1516-K1519 PolarHBondContact O-N 3.36Å; D1516-K1519 WeakPolarHBondContact OD1-CD 3.49Å; D1516-K1519 WeakPolarHBondContact OD1-CE 3.42Å; D1516-K1519 IonicContact OD1-NZ 3.3Å; D1516-K1519 PolarHBondContact OD1-NZ 2.86Å; D1516-A1520 VanDerWaalsContact O-CB 3.24Å; D1516-A1520 WeakPolarHBondContact O-CB 3.43Å; D1516-A1520 PolarHBondContact O-N 3.42Å
1517	E	35.2	Very low	32.6	Very low	77 Å²	77	85 Å²	85	36%	0.36	45%	0.451	S	S	.	.	H	α-helix	trans	-73.4	-32.6	167.5	-146.6	-156.7	-167	0	0	112	A1513 A1520 K1521	A1513-E1517 WeakPolarHBondContact O-CB 3.31Å; A1513-E1517 PolarHBondContact O-N 2.79Å; E1517-A1520 PolarHBondContact O-N 2.81Å; E1517-K1521 HydrophobicContact CG-CD 4.2Å; E1517-K1521 HydrophobicContact CG-CG 4.49Å; E1517-K1521 VanDerWaalsContact O-CB 3.29Å; E1517-K1521 WeakPolarHBondContact O-CB 3.02Å; E1517-K1521 WeakPolarHBondContact O-CG 3.04Å; E1517-K1521 PolarHBondContact O-N 3.22Å; E1517-K1521 WeakPolarHBondContact OE1-CE 3.24Å; E1517-K1521 IonicContact OE1-NZ 2.92Å; E1517-K1521 PolarHBondContact OE1-NZ 3.42Å; E1517-K1521 WeakPolarHBondContact OE2-CE 3.38Å; E1517-K1521 IonicContact OE2-NZ 3.27Å; E1517-K1521 PolarHBondContact OE2-NZ 3.25Å
1518	A	32.1	Very low	32.2	Very low	49 Å²	49	86.9 Å²	86.9	41%	0.405	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-41.6	169.7	0	0	0	0	0	111.8	M1514 R1515 S1522	M1514-A1518 WeakPolarHBondContact O-CB 3.12Å; M1514-A1518 PolarHBondContact O-N 2.7Å; R1515-A1518 PolarHBondContact O-N 3.5Å; A1518-S1522 WeakPolarHBondContact O-CB 3.16Å; A1518-S1522 PolarHBondContact O-N 2.87Å
1519	K	34.2	Very low	31.9	Very low	110 Å²	110	86.6 Å²	86.6	48%	0.478	45%	0.453	S	S	.	.	H	α-helix	trans	-61.8	-46.9	170.3	-70.1	170.8	-162.6	161.6	0	111.6	R1515 D1516 K1521 S1522 L1523	R1515-K1519 WeakPolarHBondContact O-CG 3.05Å; R1515-K1519 PolarHBondContact O-N 2.88Å; D1516-K1519 PolarHBondContact O-N 3.36Å; D1516-K1519 WeakPolarHBondContact OD1-CD 3.49Å; D1516-K1519 WeakPolarHBondContact OD1-CE 3.42Å; D1516-K1519 IonicContact OD1-NZ 3.3Å; D1516-K1519 PolarHBondContact OD1-NZ 2.86Å; K1519-K1521 PolarHBondContact O-N 2.89Å; K1519-S1522 WeakPolarHBondContact O-CB 3.39Å; K1519-S1522 PolarHBondContact O-N 2.69Å; K1519-L1523 WeakPolarHBondContact O-CD1 3.2Å; K1519-L1523 PolarHBondContact O-N 2.9Å
1520	A	31.9	Very low	31.9	Very low	53 Å²	53	87.5 Å²	87.5	44%	0.438	45%	0.45	S	S	.	.	H	α-helix	trans	-69.9	-30.7	-176.2	0	0	0	0	0	113.6	D1516 E1517	D1516-A1520 VanDerWaalsContact O-CB 3.24Å; D1516-A1520 WeakPolarHBondContact O-CB 3.43Å; D1516-A1520 PolarHBondContact O-N 3.42Å; E1517-A1520 PolarHBondContact O-N 2.81Å
1521	K	32.8	Very low	31.6	Very low	113 Å²	113	89.3 Å²	89.3	49%	0.491	45%	0.446	S	S	.	.	H	α-helix	trans	-78.3	-34.3	170.8	-72.7	171.2	174.8	165.5	0	111.8	E1517 K1519 L1523 K1524	E1517-K1521 HydrophobicContact CG-CD 4.2Å; E1517-K1521 HydrophobicContact CG-CG 4.49Å; E1517-K1521 VanDerWaalsContact O-CB 3.29Å; E1517-K1521 WeakPolarHBondContact O-CB 3.02Å; E1517-K1521 WeakPolarHBondContact O-CG 3.04Å; E1517-K1521 PolarHBondContact O-N 3.22Å; E1517-K1521 WeakPolarHBondContact OE1-CE 3.24Å; E1517-K1521 IonicContact OE1-NZ 2.92Å; E1517-K1521 PolarHBondContact OE1-NZ 3.42Å; E1517-K1521 WeakPolarHBondContact OE2-CE 3.38Å; E1517-K1521 IonicContact OE2-NZ 3.27Å; E1517-K1521 PolarHBondContact OE2-NZ 3.25Å; K1519-K1521 PolarHBondContact O-N 2.89Å; K1521-L1523 VanDerWaalsContact C-N 3.33Å; K1521-L1523 PolarHBondContact O-N 2.82Å; K1521-K1524 PolarHBondContact O-N 2.97Å
1522	S	33	Very low	31.2	Very low	40 Å²	40	86.7 Å²	86.7	28%	0.28	44%	0.436	S	S	.	.	H	α-helix	trans	-61.3	-37.9	170.3	169.8	0	0	0	0	112.3	A1518 K1519 K1524	A1518-S1522 WeakPolarHBondContact O-CB 3.16Å; A1518-S1522 PolarHBondContact O-N 2.87Å; K1519-S1522 WeakPolarHBondContact O-CB 3.39Å; K1519-S1522 PolarHBondContact O-N 2.69Å; S1522-K1524 PolarHBondContact O-N 2.81Å
1523	L	31.8	Very low	30.8	Very low	134 Å²	134	86.4 Å²	86.4	70%	0.702	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-4.7	-179.8	-101.9	76.7	0	0	0	115.9	K1519 K1521	K1519-L1523 WeakPolarHBondContact O-CD1 3.2Å; K1519-L1523 PolarHBondContact O-N 2.9Å; K1521-L1523 VanDerWaalsContact C-N 3.33Å; K1521-L1523 PolarHBondContact O-N 2.82Å
1524	K	28.2	Very low	30.5	Very low	176 Å²	176	88.5 Å²	88.5	77%	0.765	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	4.6	-168.7	-92	-173.9	174.1	-179.4	0	117.2	K1521 S1522	K1521-K1524 PolarHBondContact O-N 2.97Å; S1522-K1524 PolarHBondContact O-N 2.81Å
1525	N	28.6	Very low	30.2	Very low	139 Å²	139	95 Å²	95	74%	0.743	47%	0.468	S	S	*	.	S	Bend	trans	-115.6	35.6	171.9	-79	-3.8	0	0	0	112.1
1526	I	28	Very low	29.4	Very low	84 Å²	84	94.4 Å²	94.4	43%	0.431	47%	0.466	S	S	.	.	S	Bend	trans	-117.7	123.4	166.3	-73	-178.8	0	0	0	107.9	P1010 E1012	P1010-I1526 HydrophobicContact CB-CD1 3.78Å; P1010-I1526 HydrophobicContact CB-CG1 3.92Å; E1012-I1526 HydrophobicContact CG-CG1 4.27Å; E1012-I1526 VanDerWaalsContact OE2-CA 3.3Å; E1012-I1526 WeakPolarHBondContact OE2-CA 3.4Å
1527	Q	26.9	Very low	29	Very low	106 Å²	106	97.3 Å²	97.3	50%	0.495	48%	0.481	S	S	.	.			trans	59.8	135.3	173.3	-59.7	-179.2	8.1	0	0	119.1	E1012 F1703 N1704	E1012-Q1527 WeakPolarHBondContact OE1-CG 3.35Å; E1012-Q1527 PolarHBondContact OE1-NE2 3.41Å; E1012-Q1527 PolarHBondContact OE2-N 2.89Å; Q1527-F1703 PolarHBondContact OE1-O 2.87Å; Q1527-N1704 PolarHBondContact OE1-O 3.32Å
1528	R	26.1	Very low	28.5	Very low	126 Å²	126	100.1 Å²	100.1	48%	0.475	50%	0.498	S	S	.	.			trans	-127	89.2	175.3	-162.9	172.3	-159.3	150.3	19.8	109.9	N1699 M1700 Q1701 N1702	R1528-N1699 WeakPolarHBondContact CD-O 3.35Å; R1528-N1699 VanDerWaalsContact NH1-C 3.32Å; R1528-N1699 PolarHBondContact NH1-O 2.02Å; R1528-M1700 WeakPolarHBondContact CD-O 3.28Å; R1528-Q1701 CarbonylContact O-C 3.54Å; R1528-Q1701 WeakPolarHBondContact O-CA 3.08Å; R1528-Q1701 PolarHBondContact O-N 2.81Å; R1528-N1702 WeakPolarHBondContact O-CA 3.27Å; R1528-N1702 PolarHBondContact O-N 2.92Å; R1528-N1702 VanDerWaalsContact O-N 3.1Å
1529	G	27.6	Very low	28.2	Very low	40 Å²	40	103.3 Å²	103.3	41%	0.412	52%	0.518	S	S	.	.			trans	91.6	168.6	-167	0	0	0	0	0	111.1	F1703 N1704	G1529-F1703 CarbonylContact O-C 3.53Å; G1529-F1703 WeakPolarHBondContact O-CA 3.45Å; G1529-F1703 PolarHBondContact O-N 2.8Å; G1529-F1703 VanDerWaalsContact O-N 3.12Å; G1529-N1704 PolarHBondContact O-N 3.43Å
1530	H	32.3	Very low	27.8	Very low	84 Å²	84	105.5 Å²	105.5	39%	0.389	53%	0.527	S	S	.	.			cis	-153.2	-73.7	4.6	-166.1	-73.2	0	0	0	114	N1702 F1703	H1530-N1702 HydrophobicContact CB-CB 4.22Å; H1530-N1702 PolarHBondContact CD2-OD1 3Å; H1530-N1702 VanDerWaalsContact CD2-OD1 3.27Å; H1530-F1703 VanDerWaalsContact N-CA 3.33Å; H1530-F1703 VanDerWaalsContact N-N 3.1Å
1531	W	24.5	Very low	27.6	Very low	74 Å²	74	109.3 Å²	109.3	28%	0.28	54%	0.541	S	S	.	.			trans	-83.4	159.6	-162.2	-79.2	144.1	0	0	0	117.1	F1703 N1704 S1705 S2092 S2093 Y2094	W1531-F1703 AromaticContact CD1-CE1 3.72Å; W1531-N1704 WeakPolarHBondContact CB-OD1 3.17Å; W1531-N1704 CarbonylContact O-C 3.47Å; W1531-N1704 PolarHBondContact O-ND2 2.89Å; W1531-S1705 VanDerWaalsContact O-CB 3.24Å; W1531-S1705 WeakPolarHBondContact O-CB 3.32Å; W1531-S1705 PolarHBondContact O-N 3.35Å; W1531-S1705 PolarHBondContact O-OG 2.93Å; W1531-S2092 PolarHBondContact NE1-O 2.83Å; W1531-S2093 WeakPolarHBondContact CZ2-O 3.07Å; W1531-Y2094 WeakPolarHBondContact CH2-O 3.22Å; W1531-Y2094 WeakPolarHBondContact CZ2-O 3.33Å
1532	D	27	Very low	27.4	Very low	63 Å²	63	107.2 Å²	107.2	34%	0.337	54%	0.54	S	S	.	.			trans	-93.3	-173.5	-159.8	-60.7	-76.8	0	0	0	117.5	S1705 E1710	D1532-S1705 WeakPolarHBondContact CA-OG 3.16Å; D1532-E1710 HydrophobicContact CB-CG 4.48Å; D1532-E1710 WeakPolarHBondContact OD1-CG 3.28Å
1533	S	26.6	Very low	27	Very low	82 Å²	82	108.9 Å²	108.9	57%	0.573	54%	0.543	S	S	*	.			trans	95	91.4	147.5	74.3	0	0	0	0	121.7	P1706	S1533-P1706 VanDerWaalsContact C-CB 3.47Å
1534	R	25	Very low	26.9	Very low	75 Å²	75	106.4 Å²	106.4	28%	0.283	53%	0.531	S	S	.	.				48.2	75.4	119.6	-71.8	177.8	-109.8	-173.9	0.8	122.3	N1707 E1710	R1534-N1707 VanDerWaalsContact CA-OD1 3.27Å; R1534-N1707 WeakPolarHBondContact CA-OD1 3.35Å; R1534-E1710 IonicContact CZ-OE2 2.8Å; R1534-E1710 IonicContact NE-OE2 3.63Å; R1534-E1710 PolarHBondContact NE-OE2 3.47Å; R1534-E1710 IonicContact NH2-OE1 2.63Å; R1534-E1710 PolarHBondContact NH2-OE1 2.75Å; R1534-E1710 IonicContact NH2-OE2 3.07Å; R1534-E1710 PolarHBondContact NH2-OE2 3.4Å
1535	W	25	Very low	27	Very low	153 Å²	153	99.3 Å²	99.3	58%	0.58	50%	0.503	S	S	*	.				-138	123.1	126.5	-61.9	99.9	0	0	0	108.5	L1537 N1707	W1535-L1537 HydrophobicContact CE3-CD1 3.72Å; W1535-L1537 HydrophobicContact CZ3-CD1 3.66Å; W1535-N1707 VanDerWaalsContact C-ND2 3.33Å; W1535-N1707 PolarHBondContact O-ND2 2.83Å
1536	R	25.1	Very low	26.9	Very low	140 Å²	140	97.2 Å²	97.2	53%	0.528	49%	0.491	S	S	.	.			cis	67	79	4.1	-156.4	-168.6	-165.8	171	12.5	117.2
1537	L	27.1	Very low	26.8	Very low	125 Å²	125	98.3 Å²	98.3	65%	0.654	50%	0.498	S	S	*	.			trans	-160.5	132.1	140.1	-107.7	124.4	0	0	0	107.5	W1535	W1535-L1537 HydrophobicContact CE3-CD1 3.72Å; W1535-L1537 HydrophobicContact CZ3-CD1 3.66Å
1538	N	24.9	Very low	27	Very low	136 Å²	136	97.9 Å²	97.9	73%	0.727	50%	0.504	S	S	*	.				59	48.2	58.6	-75.5	1.8	0	0	0	114.5
1539	S	26.1	Very low	27	Very low	116 Å²	116	94.9 Å²	94.9	81%	0.811	50%	0.498	S	S	*	.			trans	-132.4	121	156.6	-161.8	0	0	0	0	110.7
1540	K	26.4	Very low	27.4	Very low	156 Å²	156	95.4 Å²	95.4	68%	0.678	49%	0.494	S	S	*	.			cis	-170.5	171.4	-21.3	-122.9	158.5	-171	173.4	0	107.4
1541	N	26.9	Very low	27	Very low	134 Å²	134	97.7 Å²	97.7	72%	0.717	51%	0.505	S	S	*	.			trans	52.7	110.4	155.6	-57.2	3.1	0	0	0	115.6
1542	S	28	Very low	27	Very low	69 Å²	69	103.3 Å²	103.3	48%	0.483	53%	0.526	S	S	.	.				131.4	149	73.2	54.5	0	0	0	0	108.7	L1837	S1542-L1837 PolarHBondContact O-N 2.73Å
1543	E	26	Very low	27	Very low	74 Å²	74	109.9 Å²	109.9	35%	0.346	55%	0.546	S	S	.	.			cis	-168.9	169.6	-6.4	-116.6	171	109.7	0	0	107.2	R1835 S1836 L1837 T1839	E1543-R1835 CarbonylContact O-C 2.84Å; E1543-S1836 CarbonylContact O-C 3.46Å; E1543-S1836 WeakPolarHBondContact O-CA 3.29Å; E1543-S1836 PolarHBondContact O-N 3.38Å; E1543-L1837 CarbonylContact C-O 3.57Å; E1543-L1837 VanDerWaalsContact CB-C 3.46Å; E1543-L1837 WeakPolarHBondContact CB-O 2.97Å; E1543-L1837 VanDerWaalsContact N-N 3.12Å; E1543-L1837 PolarHBondContact O-N 3.16Å; E1543-L1837 VanDerWaalsContact O-O 3.06Å; E1543-T1839 PolarHBondContact OE2-N 2.93Å
1544	N	29.3	Very low	27.2	Very low	82 Å²	82	109.3 Å²	109.3	44%	0.439	54%	0.542	S	S	.	.			trans	48	93.9	141.4	-51.2	-22.9	0	0	0	120.6	R1835 S1838	N1544-R1835 WeakPolarHBondContact O-CB 3.45Å; N1544-R1835 WeakPolarHBondContact O-CD 3.45Å; N1544-R1835 PolarHBondContact O-NH1 3.37Å; N1544-S1838 PolarHBondContact ND2-O 3.34Å
1545	S	28.9	Very low	27.1	Very low	27 Å²	27	112.5 Å²	112.5	19%	0.189	57%	0.569	C	S	.	*				96.7	141.4	120.7	78.8	0	0	0	0	122.6	E1834 R1835	S1545-E1834 CarbonylContact C-O 3.56Å; S1545-E1834 WeakPolarHBondContact CA-O 3.44Å; S1545-E1834 PolarHBondContact N-O 3.46Å; S1545-R1835 VanDerWaalsContact O-CB 3.23Å; S1545-R1835 WeakPolarHBondContact O-CB 3.29Å; S1545-R1835 WeakPolarHBondContact O-CD 3.36Å; S1545-R1835 WeakPolarHBondContact O-CG 3.17Å; S1545-R1835 PolarHBondContact O-NE 2.76Å; S1545-R1835 PolarHBondContact O-NH2 2.82Å; S1545-R1835 PolarHBondContact OG-NH1 3.23Å; S1545-R1835 VanDerWaalsContact OG-NH1 3.11Å; S1545-R1835 PolarHBondContact OG-NH2 2.81Å
1546	I	28	Very low	27.3	Very low	95 Å²	95	114.8 Å²	114.8	49%	0.487	58%	0.578	S	S	.	*				49.5	97.9	128.6	-56.5	169.9	0	0	0	117.3	L1833 E1834 R1835	I1546-L1833 HydrophobicContact CG1-CD1 3.85Å; I1546-E1834 VanDerWaalsContact CA-OE2 3.31Å; I1546-E1834 WeakPolarHBondContact CA-OE2 3.13Å; I1546-E1834 PolarHBondContact N-OE2 2.69Å; I1546-R1835 PolarHBondContact O-NH2 2.88Å
1547	N	25.9	Very low	27.3	Very low	107 Å²	107	113.7 Å²	113.7	57%	0.572	59%	0.592	S	S	*	*				62.3	-178.6	112.5	-122.8	-16.8	0	0	0	118.3	E1834	N1547-E1834 WeakPolarHBondContact CA-OE1 3.5Å; N1547-E1834 WeakPolarHBondContact CB-OE1 3.49Å; N1547-E1834 VanDerWaalsContact N-CD 3.33Å; N1547-E1834 PolarHBondContact N-OE1 2.71Å; N1547-E1834 PolarHBondContact OD1-OE1 3.09Å
1548	P	30.8	Very low	27.3	Very low	97 Å²	97	111 Å²	111	63%	0.63	59%	0.594	S	S	*	*				-110.4	150	-59.4	3.5	16.4	0	0	0	112.6
1549	D	26.3	Very low	27.4	Very low	63 Å²	63	112 Å²	112	34%	0.337	59%	0.594	S	S	.	*			trans	68.5	-164	131.5	-147.5	33.2	0	0	0	115.1	Q1827	D1549-Q1827 WeakPolarHBondContact OD1-CG 3.28Å; D1549-Q1827 VanDerWaalsContact OD2-CD 3.24Å; D1549-Q1827 VanDerWaalsContact OD2-CG 3.29Å; D1549-Q1827 WeakPolarHBondContact OD2-CG 2.77Å; D1549-Q1827 PolarHBondContact OD2-NE2 2.69Å
1550	P	35	Very low	27.4	Very low	52 Å²	52	113.9 Å²	113.9	34%	0.338	59%	0.59	S	S	.	*				-133.7	-168.6	-105.9	44.7	-27.9	0	0	0	116
1551	Q	24.4	Very low	27.6	Very low	132 Å²	132	112.8 Å²	112.8	62%	0.617	59%	0.591	S	S	*	*			trans	73.7	135.5	171.1	-68	-154	26.2	0	0	117.9
1552	R	24.9	Very low	27.6	Very low	192 Å²	192	112.4 Å²	112.4	73%	0.725	59%	0.589	S	S	*	*			trans	75.3	144.1	155.6	-66.6	158.7	-164.6	-146	-1.7	114.5
1553	R	26.7	Very low	27.8	Very low	201 Å²	201	114 Å²	114	76%	0.758	60%	0.6	S	S	*	*			cis	-159.3	150.1	13.8	-136.2	165	-170.8	170.8	1.1	113.7
1554	S	30.3	Very low	28.1	Very low	70 Å²	70	117 Å²	117	49%	0.49	62%	0.618	S	S	.	*			trans	65.4	127.5	139.3	-178	0	0	0	0	117.3	R1556	S1554-R1556 VanDerWaalsContact OG-CD 3.29Å; S1554-R1556 WeakPolarHBondContact OG-CD 3.13Å; S1554-R1556 WeakPolarHBondContact OG-CG 3.21Å; S1554-R1556 PolarHBondContact OG-NE 2.63Å
1555	V	24.2	Very low	28.2	Very low	141 Å²	141	119.4 Å²	119.4	86%	0.855	63%	0.631	S	S	*	*	S	Bend	cis	-82.5	121.9	22.3	171.2	0	0	0	0	111.4
1556	R	27.5	Very low	28.5	Very low	202 Å²	202	125.4 Å²	125.4	76%	0.762	66%	0.661	S	S	*	*				66.6	121.8	59.6	-69.7	175.2	173.7	-172.8	-2.3	112.1	S1554	S1554-R1556 VanDerWaalsContact OG-CD 3.29Å; S1554-R1556 WeakPolarHBondContact OG-CD 3.13Å; S1554-R1556 WeakPolarHBondContact OG-CG 3.21Å; S1554-R1556 PolarHBondContact OG-NE 2.63Å
1557	S	25.7	Very low	29	Very low	117 Å²	117	124.3 Å²	124.3	82%	0.818	66%	0.656	S	S	*	*			cis	-146.6	152.2	6.2	45.1	0	0	0	0	109.4
1558	G	27.5	Very low	29.6	Very low	68 Å²	68	122.5 Å²	122.5	70%	0.701	66%	0.656	S	S	*	*				69.4	122.5	95.6	0	0	0	0	0	112.6
1559	H	27.6	Very low	30.3	Very low	157 Å²	157	126.1 Å²	126.1	73%	0.727	66%	0.662	S	S	*	*			cis	-130.3	148.3	18.2	-96.4	-103.5	0	0	0	110.2
1560	E	25.8	Very low	31.2	Very low	156 Å²	156	125.2 Å²	125.2	73%	0.729	66%	0.659	S	S	*	*				58.1	147.1	91.3	-58.1	-178.5	173.7	0	0	115.2
1561	L	29.2	Very low	31.8	Very low	132 Å²	132	125 Å²	125	69%	0.691	65%	0.654	S	S	*	*			cis	-154.9	157.3	12	-154.5	75.5	0	0	0	111.7
1562	N	28.5	Very low	33	Very low	127 Å²	127	123.5 Å²	123.5	68%	0.679	65%	0.649	S	S	*	*			trans	37.2	127.3	146.9	-71	4.4	0	0	0	124.5
1563	S	31.2	Very low	34.4	Very low	102 Å²	102	118.9 Å²	118.9	71%	0.713	64%	0.638	S	S	*	*				82.7	151.1	120.9	74.6	0	0	0	0	122.7
1564	L	33	Very low	35.6	Very low	137 Å²	137	109.9 Å²	109.9	72%	0.717	61%	0.606	S	S	*	*			trans	62.5	119.7	169	-85.2	66.8	0	0	0	117.5
1565	D	31.5	Very low	37	Very low	133 Å²	133	109.3 Å²	109.3	71%	0.711	60%	0.6	S	S	*	*				28.1	173.2	107.8	-54	-64.3	0	0	0	120.6	N1567	D1565-N1567 PolarHBondContact O-N 3.46Å; D1565-N1567 PolarHBondContact O-ND2 3.14Å
1566	D	34.7	Very low	38.9	Very low	153 Å²	153	105.9 Å²	105.9	82%	0.818	58%	0.582	S	S	*	*			trans	60.4	40	174.7	-65	-17.8	0	0	0	117.8
1567	N	37.4	Very low	40.9	Very low	72 Å²	72	99.8 Å²	99.8	39%	0.385	57%	0.567	S	S	.	*			trans	-120.5	-7.8	169.1	-81.8	-91.6	0	0	0	116.4	D1565 F1569 V1570 I1571	D1565-N1567 PolarHBondContact O-N 3.46Å; D1565-N1567 PolarHBondContact O-ND2 3.14Å; N1567-F1569 PolarHBondContact O-N 2.92Å; N1567-F1569 VanDerWaalsContact O-N 3.16Å; N1567-V1570 PolarHBondContact O-N 2.83Å; N1567-I1571 HydrophobicContact CB-CD1 4.46Å; N1567-I1571 VanDerWaalsContact O-CG1 3.23Å; N1567-I1571 WeakPolarHBondContact O-CG1 3.16Å; N1567-I1571 PolarHBondContact O-N 3.38Å; N1567-I1571 VanDerWaalsContact O-N 3.08Å
1568	A	39.7	Very low	42.5	Very low	69 Å²	69	99.4 Å²	99.4	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-56.2	-34.4	178.6	0	0	0	0	0	113.5
1569	F	45.4	Very low	44.4	Very low	172 Å²	172	98.1 Å²	98.1	75%	0.754	54%	0.538	S	S	*	.	H	α-helix	trans	-71.8	-35	175.9	-125.8	-96.2	0	0	0	113.3	N1567 I1571 I1573	N1567-F1569 PolarHBondContact O-N 2.92Å; N1567-F1569 VanDerWaalsContact O-N 3.16Å; F1569-I1571 VanDerWaalsContact C-N 3.35Å; F1569-I1573 HydrophobicContact CD1-CD1 4.44Å; F1569-I1573 WeakPolarHBondContact O-CG1 3.17Å; F1569-I1573 PolarHBondContact O-N 3.41Å
1570	V	44.3	Very low	46.7	Very low	45 Å²	45	93.6 Å²	93.6	27%	0.273	52%	0.524	S	S	.	.	H	α-helix	trans	-73.5	-32	-179.3	-177.6	0	0	0	0	111.3	N1567 I1573 A1574	N1567-V1570 PolarHBondContact O-N 2.83Å; V1570-I1573 PolarHBondContact O-N 2.74Å; V1570-A1574 WeakPolarHBondContact O-CB 3.45Å; V1570-A1574 PolarHBondContact O-N 2.97Å
1571	I	48.2	Very low	49.1	Very low	47 Å²	47	92.9 Å²	92.9	24%	0.241	52%	0.519	C	S	.	.	H	α-helix	trans	-63.3	-47.1	178.7	-73.9	172.3	0	0	0	110.3	N1567 F1569 A1574 V1575 P1811 H1812	N1567-I1571 HydrophobicContact CB-CD1 4.46Å; N1567-I1571 VanDerWaalsContact O-CG1 3.23Å; N1567-I1571 WeakPolarHBondContact O-CG1 3.16Å; N1567-I1571 PolarHBondContact O-N 3.38Å; N1567-I1571 VanDerWaalsContact O-N 3.08Å; F1569-I1571 VanDerWaalsContact C-N 3.35Å; I1571-A1574 PolarHBondContact O-N 2.79Å; I1571-V1575 WeakPolarHBondContact O-CG2 3.38Å; I1571-V1575 PolarHBondContact O-N 2.77Å; I1571-P1811 HydrophobicContact CD1-CG 4.43Å; I1571-P1811 HydrophobicContact CG1-CG 4.23Å; I1571-P1811 HydrophobicContact CG2-CG 4.19Å; I1571-P1811 WeakPolarHBondContact CG2-O 3.45Å; I1571-H1812 VanDerWaalsContact CG2-CD2 3.46Å; I1571-H1812 WeakPolarHBondContact CG2-CD2 3.14Å
1572	I	49.2	Very low	51	Low	100 Å²	100	91.3 Å²	91.3	51%	0.513	51%	0.51	S	S	.	.	H	α-helix	trans	-60.2	-51.6	172.9	-62.7	172.4	0	0	0	111.5	A1574 V1575 S1576	I1572-A1574 VanDerWaalsContact C-N 3.28Å; I1572-A1574 PolarHBondContact O-N 2.82Å; I1572-V1575 PolarHBondContact O-N 2.92Å; I1572-S1576 PolarHBondContact O-N 3.08Å; I1572-S1576 VanDerWaalsContact O-N 3.09Å; I1572-S1576 PolarHBondContact O-OG 2.78Å
1573	I	53.9	Low	53.2	Low	95 Å²	95	90.3 Å²	90.3	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-55.7	-45.6	-178.3	-70.9	168	0	0	0	110.7	F1569 V1570 S1576 V1577	F1569-I1573 HydrophobicContact CD1-CD1 4.44Å; F1569-I1573 WeakPolarHBondContact O-CG1 3.17Å; F1569-I1573 PolarHBondContact O-N 3.41Å; V1570-I1573 PolarHBondContact O-N 2.74Å; I1573-S1576 PolarHBondContact O-N 2.83Å; I1573-S1576 PolarHBondContact O-OG 3.04Å; I1573-V1577 WeakPolarHBondContact O-CG2 3.07Å; I1573-V1577 PolarHBondContact O-N 3.42Å
1574	A	53.8	Low	55.4	Low	12 Å²	12	89.6 Å²	89.6	10%	0.099	49%	0.491	C	S	.	.	H	α-helix	trans	-80.2	-27.4	-173.9	0	0	0	0	0	113.2	V1570 I1571 I1572 S1576 V1577 F1578 R1809 S1810	V1570-A1574 WeakPolarHBondContact O-CB 3.45Å; V1570-A1574 PolarHBondContact O-N 2.97Å; I1571-A1574 PolarHBondContact O-N 2.79Å; I1572-A1574 VanDerWaalsContact C-N 3.28Å; I1572-A1574 PolarHBondContact O-N 2.82Å; A1574-S1576 VanDerWaalsContact C-N 3.32Å; A1574-V1577 CarbonylContact O-C 3.54Å; A1574-V1577 WeakPolarHBondContact O-CA 3.28Å; A1574-V1577 WeakPolarHBondContact O-CB 3.45Å; A1574-V1577 PolarHBondContact O-N 2.76Å; A1574-V1577 VanDerWaalsContact O-N 3.1Å; A1574-F1578 PolarHBondContact O-N 3.31Å; A1574-R1809 HydrophobicContact CB-CB 4.17Å; A1574-S1810 WeakPolarHBondContact CA-OG 3.38Å; A1574-S1810 WeakPolarHBondContact CB-OG 3.33Å; A1574-S1810 PolarHBondContact O-OG 3.46Å; A1574-S1810 VanDerWaalsContact O-OG 3.07Å
1575	V	58.2	Low	57.4	Low	59 Å²	59	85.2 Å²	85.2	36%	0.358	48%	0.475	S	S	.	.	H	α-helix	trans	-66.2	-38.9	169.6	167.6	0	0	0	0	110.1	I1571 I1572 V1577 F1578 G1579 S1810 P1811 H1812	I1571-V1575 WeakPolarHBondContact O-CG2 3.38Å; I1571-V1575 PolarHBondContact O-N 2.77Å; I1572-V1575 PolarHBondContact O-N 2.92Å; V1575-V1577 VanDerWaalsContact C-N 3.29Å; V1575-V1577 PolarHBondContact O-N 2.81Å; V1575-F1578 PolarHBondContact O-N 2.88Å; V1575-G1579 PolarHBondContact O-N 2.91Å; V1575-S1810 PolarHBondContact N-OG 3.47Å; V1575-P1811 VanDerWaalsContact CG2-C 3.44Å; V1575-P1811 WeakPolarHBondContact CG2-O 3.44Å; V1575-H1812 HydrophobicContact CG2-CB 4.48Å
1576	S	65.8	Low	59.2	Low	68 Å²	68	83.5 Å²	83.5	48%	0.476	47%	0.466	S	S	.	.	H	α-helix	trans	-64.6	-30.6	169.8	58	0	0	0	0	112.9	I1572 I1573 A1574 S1580	I1572-S1576 PolarHBondContact O-N 3.08Å; I1572-S1576 VanDerWaalsContact O-N 3.09Å; I1572-S1576 PolarHBondContact O-OG 2.78Å; I1573-S1576 PolarHBondContact O-N 2.83Å; I1573-S1576 PolarHBondContact O-OG 3.04Å; A1574-S1576 VanDerWaalsContact C-N 3.32Å; S1576-S1580 WeakPolarHBondContact O-CB 3.46Å; S1576-S1580 PolarHBondContact O-N 3.04Å; S1576-S1580 PolarHBondContact O-OG 2.72Å
1577	V	68.4	Low	61.3	Low	74 Å²	74	80.5 Å²	80.5	45%	0.448	45%	0.449	S	S	.	.	H	α-helix	trans	-71.5	-39.7	172.4	169.7	0	0	0	0	112.2	I1573 A1574 V1575 S1580 F1581	I1573-V1577 WeakPolarHBondContact O-CG2 3.07Å; I1573-V1577 PolarHBondContact O-N 3.42Å; A1574-V1577 CarbonylContact O-C 3.54Å; A1574-V1577 WeakPolarHBondContact O-CA 3.28Å; A1574-V1577 WeakPolarHBondContact O-CB 3.45Å; A1574-V1577 PolarHBondContact O-N 2.76Å; A1574-V1577 VanDerWaalsContact O-N 3.1Å; V1575-V1577 VanDerWaalsContact C-N 3.29Å; V1575-V1577 PolarHBondContact O-N 2.81Å; V1577-S1580 CarbonylContact O-C 3.52Å; V1577-S1580 WeakPolarHBondContact O-CB 3.31Å; V1577-S1580 PolarHBondContact O-N 2.76Å; V1577-F1581 HydrophobicContact CG1-CD2 4.38Å; V1577-F1581 WeakPolarHBondContact O-CB 2.97Å; V1577-F1581 PolarHBondContact O-N 2.94Å
1578	F	60.3	Low	63.3	Low	109 Å²	109	81.5 Å²	81.5	48%	0.478	45%	0.454	S	S	.	.	H	α-helix	trans	-71.1	-42	178	-123.9	-90.5	0	0	0	112	A1574 V1575 S1580 F1581 I1582 R1809	A1574-F1578 PolarHBondContact O-N 3.31Å; V1575-F1578 PolarHBondContact O-N 2.88Å; F1578-S1580 VanDerWaalsContact C-N 3.32Å; F1578-S1580 PolarHBondContact O-N 3.43Å; F1578-F1581 PolarHBondContact O-N 3.41Å; F1578-F1581 VanDerWaalsContact O-N 3.14Å; F1578-I1582 HydrophobicContact CD1-CD1 4.45Å; F1578-I1582 WeakPolarHBondContact O-CG1 3.29Å; F1578-I1582 PolarHBondContact O-N 3.15Å; F1578-R1809 WeakPolarHBondContact CD2-O 3.24Å; F1578-R1809 WeakPolarHBondContact CE2-O 3.28Å
1579	G	66.2	Low	64.8	Low	42 Å²	42	82.1 Å²	82.1	43%	0.433	45%	0.451	S	S	.	.	H	α-helix	trans	-58.5	-42.9	167.9	0	0	0	0	0	111.7	V1575 F1581 I1582 L1583	V1575-G1579 PolarHBondContact O-N 2.91Å; G1579-F1581 VanDerWaalsContact C-N 3.34Å; G1579-F1581 PolarHBondContact O-N 2.8Å; G1579-I1582 PolarHBondContact O-N 2.6Å; G1579-L1583 VanDerWaalsContact O-CB 3.22Å; G1579-L1583 WeakPolarHBondContact O-CB 3.35Å; G1579-L1583 PolarHBondContact O-N 2.66Å
1580	S	76.4	Confident	66	Low	61 Å²	61	77.9 Å²	77.9	43%	0.427	44%	0.438	S	S	.	.	H	α-helix	trans	-62.8	-37.8	172.5	-60.2	0	0	0	0	112.4	S1576 V1577 F1578 L1583 I1584	S1576-S1580 WeakPolarHBondContact O-CB 3.46Å; S1576-S1580 PolarHBondContact O-N 3.04Å; S1576-S1580 PolarHBondContact O-OG 2.72Å; V1577-S1580 CarbonylContact O-C 3.52Å; V1577-S1580 WeakPolarHBondContact O-CB 3.31Å; V1577-S1580 PolarHBondContact O-N 2.76Å; F1578-S1580 VanDerWaalsContact C-N 3.32Å; F1578-S1580 PolarHBondContact O-N 3.43Å; S1580-L1583 PolarHBondContact O-N 2.71Å; S1580-I1584 WeakPolarHBondContact O-CB 3.4Å; S1580-I1584 WeakPolarHBondContact O-CD1 3.24Å; S1580-I1584 WeakPolarHBondContact O-CG1 3.2Å; S1580-I1584 PolarHBondContact O-N 2.84Å
1581	F	75	Confident	67.4	Low	141 Å²	141	79.8 Å²	79.8	62%	0.618	45%	0.447	S	S	*	.	H	α-helix	trans	-70.8	-38	179.1	-117.6	-83.5	0	0	0	112.3	V1577 F1578 G1579 A1585	V1577-F1581 HydrophobicContact CG1-CD2 4.38Å; V1577-F1581 WeakPolarHBondContact O-CB 2.97Å; V1577-F1581 PolarHBondContact O-N 2.94Å; F1578-F1581 PolarHBondContact O-N 3.41Å; F1578-F1581 VanDerWaalsContact O-N 3.14Å; G1579-F1581 VanDerWaalsContact C-N 3.34Å; G1579-F1581 PolarHBondContact O-N 2.8Å; F1581-A1585 WeakPolarHBondContact O-CB 3.18Å; F1581-A1585 PolarHBondContact O-N 3.45Å
1582	I	70.8	Confident	68.6	Low	99 Å²	99	82.9 Å²	82.9	51%	0.508	46%	0.463	S	S	.	.	H	α-helix	trans	-68.9	-39.4	173.1	-67.4	171.6	0	0	0	110.3	F1578 G1579 A1585 N1586	F1578-I1582 HydrophobicContact CD1-CD1 4.45Å; F1578-I1582 WeakPolarHBondContact O-CG1 3.29Å; F1578-I1582 PolarHBondContact O-N 3.15Å; G1579-I1582 PolarHBondContact O-N 2.6Å; I1582-A1585 PolarHBondContact O-N 2.77Å; I1582-N1586 VanDerWaalsContact O-CB 3.32Å; I1582-N1586 WeakPolarHBondContact O-CB 3.24Å; I1582-N1586 PolarHBondContact O-N 3.48Å; I1582-N1586 PolarHBondContact O-ND2 3.19Å
1583	L	72.9	Confident	69.2	Low	107 Å²	107	85.2 Å²	85.2	56%	0.56	47%	0.47	S	S	*	.	H	α-helix	trans	-69.8	-36.2	176.5	-167.4	147.2	0	0	0	111.9	G1579 S1580 L1587	G1579-L1583 VanDerWaalsContact O-CB 3.22Å; G1579-L1583 WeakPolarHBondContact O-CB 3.35Å; G1579-L1583 PolarHBondContact O-N 2.66Å; S1580-L1583 PolarHBondContact O-N 2.71Å; L1583-L1587 HydrophobicContact CD2-CD1 3.62Å; L1583-L1587 HydrophobicContact CD2-CG 4.16Å; L1583-L1587 WeakPolarHBondContact O-CB 3.45Å; L1583-L1587 VanDerWaalsContact O-CG 3.28Å; L1583-L1587 WeakPolarHBondContact O-CG 3.43Å; L1583-L1587 PolarHBondContact O-N 3.5Å
1584	I	78.2	Confident	69.8	Low	86 Å²	86	83.3 Å²	83.3	44%	0.441	46%	0.463	S	S	.	.	H	α-helix	trans	-70.7	-38.5	171.2	-72	164.9	0	0	0	111	S1580 L1587 L1588	S1580-I1584 WeakPolarHBondContact O-CB 3.4Å; S1580-I1584 WeakPolarHBondContact O-CD1 3.24Å; S1580-I1584 WeakPolarHBondContact O-CG1 3.2Å; S1580-I1584 PolarHBondContact O-N 2.84Å; I1584-L1587 CarbonylContact O-C 3.51Å; I1584-L1587 PolarHBondContact O-N 2.8Å; I1584-L1588 HydrophobicContact CG2-CD1 3.9Å; I1584-L1588 HydrophobicContact CG2-CG 4.29Å; I1584-L1588 VanDerWaalsContact O-CB 3.23Å; I1584-L1588 WeakPolarHBondContact O-CB 3.32Å; I1584-L1588 VanDerWaalsContact O-CG 3.26Å; I1584-L1588 WeakPolarHBondContact O-CG 3.32Å; I1584-L1588 PolarHBondContact O-N 2.83Å
1585	A	75.9	Confident	70.5	Confident	45 Å²	45	91 Å²	91	37%	0.372	49%	0.489	S	S	.	.	H	α-helix	trans	-65.1	-44.5	174.9	0	0	0	0	0	111	F1581 I1582 L1588 V1589	F1581-A1585 WeakPolarHBondContact O-CB 3.18Å; F1581-A1585 PolarHBondContact O-N 3.45Å; I1582-A1585 PolarHBondContact O-N 2.77Å; A1585-L1588 CarbonylContact O-C 3.55Å; A1585-L1588 PolarHBondContact O-N 2.94Å; A1585-V1589 WeakPolarHBondContact O-CG2 3.32Å; A1585-V1589 PolarHBondContact O-N 3.49Å
1586	N	69.2	Low	70.5	Confident	98 Å²	98	95.5 Å²	95.5	52%	0.524	50%	0.501	S	S	.	.	H	α-helix	trans	-68.1	-38	174.4	-74.7	-26.9	0	0	0	112	I1582 L1588 V1589 V1590	I1582-N1586 VanDerWaalsContact O-CB 3.32Å; I1582-N1586 WeakPolarHBondContact O-CB 3.24Å; I1582-N1586 PolarHBondContact O-N 3.48Å; I1582-N1586 PolarHBondContact O-ND2 3.19Å; N1586-L1588 VanDerWaalsContact C-N 3.31Å; N1586-L1588 PolarHBondContact O-N 2.83Å; N1586-V1589 PolarHBondContact O-N 2.74Å; N1586-V1590 VanDerWaalsContact O-CB 3.28Å; N1586-V1590 WeakPolarHBondContact O-CB 3.34Å; N1586-V1590 VanDerWaalsContact O-CG2 3.24Å; N1586-V1590 WeakPolarHBondContact O-CG2 3.39Å; N1586-V1590 PolarHBondContact O-N 2.87Å
1587	L	78.1	Confident	69.7	Low	90 Å²	90	98.6 Å²	98.6	47%	0.471	51%	0.506	S	S	.	.	H	α-helix	trans	-66.3	-30.5	169.8	-80.4	178.1	0	0	0	112.5	L1583 I1584 L1591	L1583-L1587 HydrophobicContact CD2-CD1 3.62Å; L1583-L1587 HydrophobicContact CD2-CG 4.16Å; L1583-L1587 WeakPolarHBondContact O-CB 3.45Å; L1583-L1587 VanDerWaalsContact O-CG 3.28Å; L1583-L1587 WeakPolarHBondContact O-CG 3.43Å; L1583-L1587 PolarHBondContact O-N 3.5Å; I1584-L1587 CarbonylContact O-C 3.51Å; I1584-L1587 PolarHBondContact O-N 2.8Å; L1587-L1591 WeakPolarHBondContact O-CA 3.31Å; L1587-L1591 WeakPolarHBondContact O-CB 3.43Å; L1587-L1591 WeakPolarHBondContact O-CD1 3.25Å; L1587-L1591 WeakPolarHBondContact O-CG 3.36Å; L1587-L1591 PolarHBondContact O-N 2.75Å
1588	L	78.8	Confident	69.1	Low	93 Å²	93	103.3 Å²	103.3	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-76.2	-39	174.5	-80.6	171.6	0	0	0	111.6	I1584 A1585 N1586 L1591 L1592	I1584-L1588 HydrophobicContact CG2-CD1 3.9Å; I1584-L1588 HydrophobicContact CG2-CG 4.29Å; I1584-L1588 VanDerWaalsContact O-CB 3.23Å; I1584-L1588 WeakPolarHBondContact O-CB 3.32Å; I1584-L1588 VanDerWaalsContact O-CG 3.26Å; I1584-L1588 WeakPolarHBondContact O-CG 3.32Å; I1584-L1588 PolarHBondContact O-N 2.83Å; A1585-L1588 CarbonylContact O-C 3.55Å; A1585-L1588 PolarHBondContact O-N 2.94Å; N1586-L1588 VanDerWaalsContact C-N 3.31Å; N1586-L1588 PolarHBondContact O-N 2.83Å; L1588-L1591 CarbonylContact O-C 3.6Å; L1588-L1591 PolarHBondContact O-N 2.8Å; L1588-L1592 WeakPolarHBondContact O-CB 3.31Å; L1588-L1592 WeakPolarHBondContact O-CG 3.05Å; L1588-L1592 PolarHBondContact O-N 3.42Å
1589	V	72.2	Confident	68.6	Low	82 Å²	82	104.8 Å²	104.8	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-63.1	-43.9	170.2	170.3	0	0	0	0	109.7	A1585 N1586 L1592 F1593	A1585-V1589 WeakPolarHBondContact O-CG2 3.32Å; A1585-V1589 PolarHBondContact O-N 3.49Å; N1586-V1589 PolarHBondContact O-N 2.74Å; V1589-L1592 PolarHBondContact O-N 3.24Å; V1589-F1593 WeakPolarHBondContact O-CB 3.37Å; V1589-F1593 PolarHBondContact O-N 3.23Å
1590	V	71.4	Confident	67.7	Low	82 Å²	82	110.7 Å²	110.7	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-68.5	-34.3	173.9	170.8	0	0	0	0	112	N1586 T1594	N1586-V1590 VanDerWaalsContact O-CB 3.28Å; N1586-V1590 WeakPolarHBondContact O-CB 3.34Å; N1586-V1590 VanDerWaalsContact O-CG2 3.24Å; N1586-V1590 WeakPolarHBondContact O-CG2 3.39Å; N1586-V1590 PolarHBondContact O-N 2.87Å; V1590-T1594 HydrophobicContact CG1-CG2 4.25Å; V1590-T1594 WeakPolarHBondContact O-CA 3.28Å; V1590-T1594 VanDerWaalsContact O-CB 3.23Å; V1590-T1594 WeakPolarHBondContact O-CB 3.35Å; V1590-T1594 VanDerWaalsContact O-CG2 3.23Å; V1590-T1594 WeakPolarHBondContact O-CG2 3.46Å; V1590-T1594 PolarHBondContact O-N 2.76Å; V1590-T1594 PolarHBondContact O-OG1 2.77Å
1591	L	73.6	Confident	66.1	Low	86 Å²	86	114.4 Å²	114.4	45%	0.45	55%	0.55	S	S	.	.	H	α-helix	trans	-74.3	-27.7	174	-80.9	166.2	0	0	0	112.5	L1587 L1588 T1594 R1595	L1587-L1591 WeakPolarHBondContact O-CA 3.31Å; L1587-L1591 WeakPolarHBondContact O-CB 3.43Å; L1587-L1591 WeakPolarHBondContact O-CD1 3.25Å; L1587-L1591 WeakPolarHBondContact O-CG 3.36Å; L1587-L1591 PolarHBondContact O-N 2.75Å; L1588-L1591 CarbonylContact O-C 3.6Å; L1588-L1591 PolarHBondContact O-N 2.8Å; L1591-T1594 WeakPolarHBondContact CA-OG1 3.5Å; L1591-R1595 WeakPolarHBondContact O-CA 3.47Å; L1591-R1595 WeakPolarHBondContact O-CB 3.26Å; L1591-R1595 WeakPolarHBondContact O-CG 3.33Å; L1591-R1595 PolarHBondContact O-N 2.87Å
1592	L	72.2	Confident	64.4	Low	112 Å²	112	116.1 Å²	116.1	59%	0.586	56%	0.557	S	S	*	*	H	α-helix	trans	-78.6	-42.7	172.3	-74.2	168.1	0	0	0	110.5	L1588 V1589 R1595 Y1596	L1588-L1592 WeakPolarHBondContact O-CB 3.31Å; L1588-L1592 WeakPolarHBondContact O-CG 3.05Å; L1588-L1592 PolarHBondContact O-N 3.42Å; V1589-L1592 PolarHBondContact O-N 3.24Å; L1592-R1595 PolarHBondContact O-N 3.24Å; L1592-Y1596 WeakPolarHBondContact O-CB 3.45Å; L1592-Y1596 PolarHBondContact O-N 2.87Å
1593	F	62.8	Low	62.7	Low	149 Å²	149	119.4 Å²	119.4	65%	0.654	57%	0.57	S	S	*	*	H	α-helix	trans	-64.2	-41.4	171.6	-114.4	-91.3	0	0	0	111.5	V1589 K1597	V1589-F1593 WeakPolarHBondContact O-CB 3.37Å; V1589-F1593 PolarHBondContact O-N 3.23Å; F1593-K1597 WeakPolarHBondContact O-CB 3.21Å; F1593-K1597 PolarHBondContact O-N 2.83Å
1594	T	65.7	Low	60.8	Low	54 Å²	54	121.9 Å²	121.9	33%	0.331	58%	0.584	S	S	.	*	H	α-helix	trans	-77.8	-24.8	175.5	59.8	0	0	0	0	113.1	V1590 L1591 R1598	V1590-T1594 HydrophobicContact CG1-CG2 4.25Å; V1590-T1594 WeakPolarHBondContact O-CA 3.28Å; V1590-T1594 VanDerWaalsContact O-CB 3.23Å; V1590-T1594 WeakPolarHBondContact O-CB 3.35Å; V1590-T1594 VanDerWaalsContact O-CG2 3.23Å; V1590-T1594 WeakPolarHBondContact O-CG2 3.46Å; V1590-T1594 PolarHBondContact O-N 2.76Å; V1590-T1594 PolarHBondContact O-OG1 2.77Å; L1591-T1594 WeakPolarHBondContact CA-OG1 3.5Å; T1594-R1598 WeakPolarHBondContact O-CA 3.43Å; T1594-R1598 WeakPolarHBondContact O-CB 3.49Å; T1594-R1598 WeakPolarHBondContact O-CD 3.03Å; T1594-R1598 WeakPolarHBondContact O-CG 3.04Å; T1594-R1598 PolarHBondContact O-N 2.92Å
1595	R	68.6	Low	58.5	Low	174 Å²	174	125.5 Å²	125.5	66%	0.657	60%	0.599	S	S	*	*	H	α-helix	trans	-70.9	-45.2	166.1	-86.2	179.3	164	175.1	-3.8	111.5	L1591 L1592 R1598 Q1599	L1591-R1595 WeakPolarHBondContact O-CA 3.47Å; L1591-R1595 WeakPolarHBondContact O-CB 3.26Å; L1591-R1595 WeakPolarHBondContact O-CG 3.33Å; L1591-R1595 PolarHBondContact O-N 2.87Å; L1592-R1595 PolarHBondContact O-N 3.24Å; R1595-R1598 CarbonylContact O-C 3.57Å; R1595-R1598 PolarHBondContact O-N 3.14Å; R1595-Q1599 WeakPolarHBondContact O-CB 3.22Å; R1595-Q1599 WeakPolarHBondContact O-CG 3.03Å; R1595-Q1599 PolarHBondContact O-N 2.76Å
1596	Y	58.2	Low	56.3	Low	154 Å²	154	134.7 Å²	134.7	60%	0.604	62%	0.624	S	S	*	*	H	α-helix	trans	-60.7	-45.9	175.4	-174.2	-110.7	0	0	0	110.8	L1592 Q1599 K1600	L1592-Y1596 WeakPolarHBondContact O-CB 3.45Å; L1592-Y1596 PolarHBondContact O-N 2.87Å; Y1596-Q1599 PolarHBondContact O-N 2.82Å; Y1596-K1600 WeakPolarHBondContact O-CB 3.49Å; Y1596-K1600 PolarHBondContact O-N 2.82Å
1597	K	49.6	Very low	54.2	Low	133 Å²	133	138.7 Å²	138.7	58%	0.578	64%	0.637	S	S	*	*	H	α-helix	trans	-69.9	-31.3	175.4	-157.3	168.7	-173.1	177.2	0	112.7	F1593 K1600 M1601	F1593-K1597 WeakPolarHBondContact O-CB 3.21Å; F1593-K1597 PolarHBondContact O-N 2.83Å; K1597-K1600 CarbonylContact O-C 3.57Å; K1597-M1601 HydrophobicContact CG-CE 4.29Å; K1597-M1601 WeakPolarHBondContact O-CB 3.48Å; K1597-M1601 WeakPolarHBondContact O-CG 3.22Å; K1597-M1601 PolarHBondContact O-N 3Å; K1597-M1601 VanDerWaalsContact O-N 3.16Å
1598	R	54.6	Low	52.1	Low	173 Å²	173	139.4 Å²	139.4	65%	0.653	65%	0.647	S	S	*	*	H	α-helix	trans	-76.8	-28.9	171.6	-78	170.9	167	175.9	-4.1	113.8	T1594 R1595 M1601 K1602	T1594-R1598 WeakPolarHBondContact O-CA 3.43Å; T1594-R1598 WeakPolarHBondContact O-CB 3.49Å; T1594-R1598 WeakPolarHBondContact O-CD 3.03Å; T1594-R1598 WeakPolarHBondContact O-CG 3.04Å; T1594-R1598 PolarHBondContact O-N 2.92Å; R1595-R1598 CarbonylContact O-C 3.57Å; R1595-R1598 PolarHBondContact O-N 3.14Å; R1598-M1601 CarbonylContact O-C 3.55Å; R1598-M1601 PolarHBondContact O-N 2.77Å; R1598-K1602 WeakPolarHBondContact O-CG 3.08Å
1599	Q	50.2	Low	49.5	Very low	140 Å²	140	140.2 Å²	140.2	65%	0.654	66%	0.661	S	S	*	*	H	α-helix	trans	-72.6	-42.6	171.3	-77.2	174.9	-54.1	0	0	109.8	R1595 Y1596 M1601 K1602	R1595-Q1599 WeakPolarHBondContact O-CB 3.22Å; R1595-Q1599 WeakPolarHBondContact O-CG 3.03Å; R1595-Q1599 PolarHBondContact O-N 2.76Å; Y1596-Q1599 PolarHBondContact O-N 2.82Å; Q1599-M1601 PolarHBondContact O-N 3.13Å; Q1599-M1601 VanDerWaalsContact O-N 3.14Å; Q1599-K1602 PolarHBondContact O-N 2.76Å; Q1599-K1602 VanDerWaalsContact O-N 3.13Å
1600	K	46.7	Very low	47.3	Very low	166 Å²	166	140.7 Å²	140.7	72%	0.722	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	6	170.9	-151.5	172.6	-176.7	178.3	0	114.4	Y1596 K1597	Y1596-K1600 WeakPolarHBondContact O-CB 3.49Å; Y1596-K1600 PolarHBondContact O-N 2.82Å; K1597-K1600 CarbonylContact O-C 3.57Å
1601	M	43.9	Very low	45.1	Very low	139 Å²	139	141.9 Å²	141.9	69%	0.685	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	21.7	169.8	-75.4	174.9	170.4	0	0	111.8	K1597 R1598 Q1599	K1597-M1601 HydrophobicContact CG-CE 4.29Å; K1597-M1601 WeakPolarHBondContact O-CB 3.48Å; K1597-M1601 WeakPolarHBondContact O-CG 3.22Å; K1597-M1601 PolarHBondContact O-N 3Å; K1597-M1601 VanDerWaalsContact O-N 3.16Å; R1598-M1601 CarbonylContact O-C 3.55Å; R1598-M1601 PolarHBondContact O-N 2.77Å; Q1599-M1601 PolarHBondContact O-N 3.13Å; Q1599-M1601 VanDerWaalsContact O-N 3.14Å
1602	K	38.6	Very low	42.8	Very low	176 Å²	176	140.9 Å²	140.9	77%	0.765	70%	0.702	S	S	*	*	S	Bend	trans	-127.8	17.6	-178.5	-88.7	-163.7	170.5	-157.9	0	115.5	R1598 Q1599	R1598-K1602 WeakPolarHBondContact O-CG 3.08Å; Q1599-K1602 PolarHBondContact O-N 2.76Å; Q1599-K1602 VanDerWaalsContact O-N 3.13Å
1603	Q	35.1	Very low	40.5	Very low	168 Å²	168	142.9 Å²	142.9	79%	0.785	71%	0.713	S	S	*	*	S	Bend	trans	-128.3	137.6	160.2	-72.4	176.9	-90.3	0	0	107.8
1604	D	33.8	Very low	38.7	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	72%	0.718	S	S	*	*			trans	54.3	93	178.1	-49.9	-26.9	0	0	0	115.2
1605	E	28.1	Very low	36.6	Very low	161 Å²	161	146.5 Å²	146.5	75%	0.752	74%	0.735	S	S	*	*			cis	72.1	63.6	18	-81.3	-117.5	119.6	0	0	117.5
1606	R	30.7	Very low	34.4	Very low	239 Å²	239	144.5 Å²	144.5	90%	0.902	73%	0.733	S	S	*	*			trans	-172.3	94.9	140	-95.6	148.6	-161.6	-147.7	6.4	108.9
1607	K	26	Very low	32.8	Very low	182 Å²	182	142.4 Å²	142.4	79%	0.791	73%	0.732	S	S	*	*				73.4	141.6	80	-78.3	-173.5	175.5	177.9	0	114.7
1608	P	32.3	Very low	31.9	Very low	104 Å²	104	144.7 Å²	144.7	68%	0.675	74%	0.738	S	S	*	*			cis	-144.7	178.9	-40.3	38.5	-20.3	0	0	0	114.8
1609	S	24	Very low	30.9	Very low	111 Å²	111	139.5 Å²	139.5	78%	0.776	73%	0.727	S	S	*	*			trans	65.6	148.1	152	55.3	0	0	0	0	120.8
1610	A	26.6	Very low	29.8	Very low	91 Å²	91	138.3 Å²	138.3	75%	0.752	73%	0.728	S	S	*	*			cis	-165.5	150.3	-17.6	0	0	0	0	0	112.7
1611	A	25.1	Very low	28.7	Very low	107 Å²	107	136.4 Å²	136.4	88%	0.884	72%	0.722	S	S	*	*			trans	42.3	139.9	142.7	0	0	0	0	0	123.5
1612	G	26.3	Very low	27.8	Very low	66 Å²	66	135.3 Å²	135.3	68%	0.68	72%	0.719	S	S	*	*			trans	111	117	164.4	0	0	0	0	0	111.6
1613	D	24	Very low	27.2	Very low	153 Å²	153	130.8 Å²	130.8	82%	0.818	72%	0.722	S	S	*	*			cis	112.1	133.4	31.7	-93	-42.5	0	0	0	110.9
1614	L	23.8	Very low	26.7	Very low	144 Å²	144	131 Å²	131	75%	0.754	72%	0.721	S	S	*	*			trans	70.5	116.6	154.5	-61.9	158.6	0	0	0	120.7
1615	I	22.9	Very low	26.2	Very low	136 Å²	136	128.4 Å²	128.4	70%	0.697	72%	0.715	S	S	*	*				89.4	143.1	126.8	-72.3	175.9	0	0	0	120.5
1616	Q	22.2	Very low	26	Very low	131 Å²	131	128.7 Å²	128.7	61%	0.612	72%	0.716	S	S	*	*			trans	91.3	74.5	161	-77.1	161.4	31.9	0	0	124.4	I28	I28-Q1616 HydrophobicContact CD1-CB 3.68Å; I28-Q1616 HydrophobicContact CD1-CG 3.58Å; I28-Q1616 HydrophobicContact CG1-CB 4.3Å
1617	I	24.7	Very low	25.7	Very low	111 Å²	111	124 Å²	124	57%	0.569	71%	0.708	S	S	*	*				60.3	144.4	118	-60.8	156.2	0	0	0	122.7	I27 I28	I27-I1617 CarbonylContact C-O 3.52Å; I27-I1617 WeakPolarHBondContact CA-O 3.39Å; I27-I1617 PolarHBondContact N-O 3.21Å; I28-I1617 HydrophobicContact CD1-CB 4.4Å; I28-I1617 HydrophobicContact CG1-CB 3.63Å; I28-I1617 HydrophobicContact CG1-CG2 3.76Å; I28-I1617 PolarHBondContact N-O 3.35Å
1618	Y	30.1	Very low	25.7	Very low	181 Å²	181	122.5 Å²	122.5	71%	0.71	70%	0.703	S	S	*	*			trans	62.2	-167.1	163.8	-87.7	-57.5	0	0	0	120.5	S26 I27	S26-Y1618 CarbonylContact C-O 3.57Å; S26-Y1618 WeakPolarHBondContact CA-O 3.35Å; S26-Y1618 PolarHBondContact N-O 2.73Å; I27-Y1618 PolarHBondContact N-O 2.79Å; I27-Y1618 CarbonylContact O-C 3.48Å; I27-Y1618 WeakPolarHBondContact O-CA 3.45Å; I27-Y1618 WeakPolarHBondContact O-CB 3.46Å
1619	P	33.5	Very low	25.2	Very low	64 Å²	64	123.8 Å²	123.8	42%	0.416	71%	0.709	S	S	.	*			cis	-126.5	-86.4	-14.1	41.1	-21.4	0	0	0	117.4	S26 I27	S26-P1619 WeakPolarHBondContact O-CD 3.49Å; I27-P1619 WeakPolarHBondContact O-CB 3.43Å; I27-P1619 WeakPolarHBondContact O-CD 2.93Å; I27-P1619 WeakPolarHBondContact O-CG 3.37Å; I27-P1619 VanDerWaalsContact O-N 3.09Å
1620	V	26.5	Very low	25.2	Very low	114 Å²	114	125.8 Å²	125.8	69%	0.691	71%	0.711	S	S	*	*			trans	-159.9	129.3	-139.7	165.6	0	0	0	0	114.6
1621	E	23.8	Very low	25.1	Very low	127 Å²	127	127.5 Å²	127.5	59%	0.593	71%	0.713	S	S	*	*			trans	81.2	130.1	148.7	-79.8	179.9	-115.9	0	0	128.6	N343	N343-E1621 WeakPolarHBondContact CB-OE2 3.44Å
1622	N	25.7	Very low	25.1	Very low	116 Å²	116	130.9 Å²	130.9	62%	0.62	71%	0.71	S	S	*	*			trans	72	120.1	141.4	-53.9	-18.6	0	0	0	123.4	N343	N343-N1622 PolarHBondContact ND2-OD1 3.31Å
1623	G	25	Very low	25	Very low	80 Å²	80	135 Å²	135	83%	0.825	72%	0.716	S	S	*	*			trans	166.8	120.3	162.4	0	0	0	0	0	115.6
1624	F	25.6	Very low	25	Very low	174 Å²	174	131.5 Å²	131.5	76%	0.763	70%	0.704	S	S	*	*			trans	-79.9	163.9	-170.7	-89.4	-107.3	0	0	0	117.9	D341	D341-F1624 WeakPolarHBondContact OD1-CE2 3.35Å; D341-F1624 WeakPolarHBondContact OD1-CZ 3.44Å
1625	S	24.1	Very low	25.3	Very low	104 Å²	104	132.2 Å²	132.2	73%	0.727	70%	0.701	S	S	*	*			trans	87.2	117	140	61.6	0	0	0	0	123.9
1626	E	22.4	Very low	25.5	Very low	168 Å²	168	130 Å²	130	79%	0.785	70%	0.696	S	S	*	*			trans	54.2	124.1	138.4	-55.3	-171.5	163.8	0	0	123
1627	I	25.6	Very low	25.6	Very low	141 Å²	141	128.1 Å²	128.1	72%	0.723	69%	0.689	S	S	*	*				169.9	139.8	116.7	-86.2	159.8	0	0	0	113
1628	H	25.3	Very low	25.7	Very low	149 Å²	149	125.3 Å²	125.3	69%	0.69	67%	0.671	S	S	*	*			trans	-53.6	144.1	-173.7	-51.2	-70.7	0	0	0	118.5
1629	T	22.6	Very low	25.7	Very low	132 Å²	132	120.2 Å²	120.2	81%	0.81	66%	0.661	S	S	*	*				173.4	139.3	97.8	33.9	0	0	0	0	114.9
1630	N	24.3	Very low	25.3	Very low	152 Å²	152	120.8 Å²	120.8	81%	0.813	66%	0.66	S	S	*	*			trans	67.1	128.7	159	-96.3	-23.3	0	0	0	121.7
1631	T	23	Very low	25.1	Very low	128 Å²	128	120.9 Å²	120.9	79%	0.785	66%	0.657	S	S	*	*			trans	79.7	142	160	68.7	0	0	0	0	121.1
1632	Q	25.8	Very low	25.2	Very low	178 Å²	178	123 Å²	123	83%	0.832	67%	0.669	S	S	*	*			trans	89.5	97.4	164.6	-53.5	-169.3	-4.1	0	0	121.5
1633	N	24.8	Very low	25.1	Very low	151 Å²	151	125.6 Å²	125.6	81%	0.807	67%	0.67	S	S	*	*			trans	62.2	69.1	130.2	-56.9	9.6	0	0	0	124.5
1634	S	22.7	Very low	25.1	Very low	80 Å²	80	129.6 Å²	129.6	56%	0.559	67%	0.671	S	S	*	*				46.4	120.2	117.3	65.8	0	0	0	0	125.2
1635	F	30.8	Very low	24.9	Very low	160 Å²	160	128.2 Å²	128.2	70%	0.702	67%	0.672	S	S	*	*			trans	65.7	150.5	153.4	-52.1	-58.6	0	0	0	119.2
1636	P	26.4	Very low	25	Very low	89 Å²	89	127.7 Å²	127.7	58%	0.578	67%	0.674	S	S	*	*			cis	-134.8	-173.5	11.4	44.7	-29	0	0	0	115.7
1637	I	24.7	Very low	25.1	Very low	91 Å²	91	123.7 Å²	123.7	47%	0.467	67%	0.665	S	S	.	*			trans	-171	166	144.6	-100.3	151.4	0	0	0	111.5	W12 R15 S16	W12-I1637 HydrophobicContact CH2-CG1 4.3Å; R15-I1637 CarbonylContact C-O 3.46Å; S16-I1637 VanDerWaalsContact CA-O 3.31Å; S16-I1637 WeakPolarHBondContact CA-O 3.44Å; S16-I1637 PolarHBondContact N-O 3.28Å
1638	Y	27.8	Very low	25.1	Very low	52 Å²	52	123 Å²	123	20%	0.204	65%	0.654	C	S	.	*			trans	-125.1	162.2	174.5	-63.7	-169.9	0	0	0	110.8	W12 I13 V14 R15 P1235	W12-Y1638 HydrophobicContact CB-CD1 3.42Å; W12-Y1638 VanDerWaalsContact CB-CD1 3.42Å; W12-Y1638 HydrophobicContact CB-CE1 3.64Å; W12-Y1638 HydrophobicContact CB-CG 4.44Å; W12-Y1638 AromaticContact CD2-CD1 3.83Å; W12-Y1638 HydrophobicContact CD2-CD1 3.83Å; W12-Y1638 AromaticContact CD2-CG 3.98Å; W12-Y1638 HydrophobicContact CD2-CG 3.98Å; W12-Y1638 AromaticContact CE3-CD1 3.38Å; W12-Y1638 HydrophobicContact CE3-CD1 3.38Å; W12-Y1638 AromaticContact CE3-CD2 3.72Å; W12-Y1638 HydrophobicContact CE3-CD2 3.72Å; W12-Y1638 HydrophobicContact CE3-CE1 4.17Å; W12-Y1638 HydrophobicContact CE3-CE2 4.41Å; W12-Y1638 AromaticContact CE3-CG 3.14Å; W12-Y1638 HydrophobicContact CE3-CG 3.14Å; W12-Y1638 AromaticContact CG-CD1 3.96Å; W12-Y1638 HydrophobicContact CG-CD1 3.96Å; W12-Y1638 HydrophobicContact CZ3-CD1 4.31Å; W12-Y1638 HydrophobicContact CZ3-CD2 4Å; W12-Y1638 AromaticContact CZ3-CG 3.63Å; W12-Y1638 HydrophobicContact CZ3-CG 3.63Å; W12-Y1638 WeakPolarHBondContact O-CE1 3.43Å; I13-Y1638 WeakPolarHBondContact O-CB 3.17Å; I13-Y1638 WeakPolarHBondContact O-CD1 3.46Å; V14-Y1638 VanDerWaalsContact CA-CD1 3.46Å; V14-Y1638 HydrophobicContact CB-CD1 4.47Å; V14-Y1638 HydrophobicContact CB-CE1 4.46Å; V14-Y1638 HydrophobicContact CG2-CD1 4.28Å; V14-Y1638 HydrophobicContact CG2-CD2 4.49Å; V14-Y1638 HydrophobicContact CG2-CE1 3.78Å; V14-Y1638 HydrophobicContact CG2-CE2 4.05Å; R15-Y1638 VanDerWaalsContact C-CA 3.42Å; R15-Y1638 CarbonylContact O-C 3.55Å; P1235-Y1638 VanDerWaalsContact CD-OH 3.3Å; P1235-Y1638 WeakPolarHBondContact CD-OH 3.46Å; P1235-Y1638 WeakPolarHBondContact CG-OH 3.26Å
1639	P	28.9	Very low	25.1	Very low	75 Å²	75	123 Å²	123	49%	0.487	66%	0.656	S	S	.	*				-152.7	160	96.5	40.7	-23.7	0	0	0	118.4	I13 V14 R15	I13-P1639 CarbonylContact O-C 3.56Å; I13-P1639 VanDerWaalsContact O-C 3.23Å; I13-P1639 WeakPolarHBondContact O-CA 3.05Å; V14-P1639 VanDerWaalsContact C-C 3.5Å; V14-P1639 CarbonylContact C-O 3.51Å; V14-P1639 CarbonylContact O-C 3.54Å; V14-P1639 VanDerWaalsContact O-O 3.04Å; R15-P1639 PolarHBondContact N-O 2.76Å; R15-P1639 VanDerWaalsContact N-O 3.16Å; R15-P1639 WeakPolarHBondContact O-CD 3.4Å
1640	D	25	Very low	25.3	Very low	75 Å²	75	123.8 Å²	123.8	40%	0.401	65%	0.654	S	S	.	*			trans	7.8	150.8	147.3	-43	-41.7	0	0	0	119.7	I11 W12 I13	I11-D1640 VanDerWaalsContact CG2-OD2 3.23Å; I11-D1640 WeakPolarHBondContact CG2-OD2 3.45Å; W12-D1640 PolarHBondContact N-OD1 3.18Å; I13-D1640 PolarHBondContact N-OD1 3.03Å; I13-D1640 PolarHBondContact O-N 3.36Å
1641	D	23.8	Very low	25.7	Very low	116 Å²	116	124.9 Å²	124.9	62%	0.62	66%	0.655	S	S	*	*			cis	-168.1	134.5	40.7	-169.1	14.8	0	0	0	109.8
1642	M	24.8	Very low	25.7	Very low	172 Å²	172	124.8 Å²	124.8	85%	0.847	66%	0.66	S	S	*	*			trans	-142.9	140.2	164.9	-147	174.5	-169.7	0	0	111.1
1643	R	23.6	Very low	26.2	Very low	171 Å²	171	120.9 Å²	120.9	65%	0.645	66%	0.657	S	S	*	*			trans	-120.9	161.7	-165.3	-63.4	160.2	66.3	-167.4	-1.9	110
1644	L	24.2	Very low	26.4	Very low	163 Å²	163	118.8 Å²	118.8	85%	0.853	65%	0.652	S	S	*	*			trans	77.1	146.1	179.3	-51.6	143.3	0	0	0	111.7
1645	N	23.3	Very low	26.6	Very low	145 Å²	145	120.9 Å²	120.9	78%	0.775	66%	0.657	S	S	*	*			cis	-127.2	175.8	16.5	-117.1	-20.4	0	0	0	113.8
1646	A	25.4	Very low	26.3	Very low	94 Å²	94	120.3 Å²	120.3	78%	0.777	66%	0.662	S	S	*	*			trans	-124.3	113.7	165.5	0	0	0	0	0	110
1647	S	24.5	Very low	26.1	Very low	84 Å²	84	121 Å²	121	59%	0.587	66%	0.657	S	S	*	*			trans	-179.3	168	165.6	29.7	0	0	0	0	108.7
1648	Y	24.8	Very low	26.1	Very low	126 Å²	126	123.6 Å²	123.6	49%	0.494	67%	0.665	S	S	.	*			trans	55.5	73.1	-169.8	-63.3	-72.5	0	0	0	113.2	E2007	Y1648-E2007 WeakPolarHBondContact CE1-OE1 3.45Å
1649	M	26.8	Very low	25.8	Very low	150 Å²	150	125.8 Å²	125.8	74%	0.739	69%	0.688	S	S	*	*			cis	67.4	109	49.9	-55.2	-167.3	-59.2	0	0	114.9
1650	L	27	Very low	25.5	Very low	147 Å²	147	126.1 Å²	126.1	77%	0.77	69%	0.69	S	S	*	*				-134	130.2	115.9	-94.6	168.8	0	0	0	107.8
1651	Q	31.5	Very low	25.5	Very low	175 Å²	175	131.4 Å²	131.4	82%	0.818	71%	0.71	S	S	*	*			trans	28.1	113.1	151.9	-61.1	150.2	-0.5	0	0	116.8
1652	S	23.8	Very low	25.2	Very low	127 Å²	127	134 Å²	134	89%	0.888	72%	0.719	S	S	*	*				-152.3	143.9	53.3	53.3	0	0	0	0	116.8
1653	A	35.7	Very low	25	Very low	95 Å²	95	131.5 Å²	131.5	79%	0.785	71%	0.708	S	S	*	*			trans	-157.8	157.3	150.7	0	0	0	0	0	105.7
1654	P	29.1	Very low	25	Very low	108 Å²	108	125.8 Å²	125.8	70%	0.701	70%	0.703	S	S	*	*			cis	-117.6	-138.3	8.5	39	-21.3	0	0	0	111.1
1655	N	26.5	Very low	24.9	Very low	123 Å²	123	128.5 Å²	128.5	66%	0.658	70%	0.702	S	S	*	*			trans	75.2	137	177.1	-49.1	-26.9	0	0	0	113.5
1656	D	24.2	Very low	24.8	Very low	149 Å²	149	128 Å²	128	80%	0.797	70%	0.695	S	S	*	*			cis	59.4	41.6	7.8	-97.9	24.1	0	0	0	115.2
1657	Q	23.8	Very low	24.6	Very low	103 Å²	103	129 Å²	129	48%	0.481	68%	0.683	S	S	.	*			trans	-137.4	86.5	141.9	-126.1	147.7	101.4	0	0	107
1658	F	22.8	Very low	24.6	Very low	146 Å²	146	130.7 Å²	130.7	64%	0.64	68%	0.684	S	S	*	*				86.7	101.1	82.6	-102.4	-78.3	0	0	0	111.3
1659	S	21.8	Very low	24.7	Very low	97 Å²	97	129 Å²	129	68%	0.678	69%	0.689	S	S	*	*			trans	63.1	-167.5	146.3	84.2	0	0	0	0	114.4
1660	P	23.8	Very low	24.4	Very low	83 Å²	83	127.2 Å²	127.2	54%	0.539	68%	0.677	S	S	.	*			cis	-109.1	-175.1	-22.9	25.2	-3.3	0	0	0	109.5	Q1662	P1660-Q1662 HydrophobicContact CG-CG 4.16Å; P1660-Q1662 PolarHBondContact O-N 2.67Å
1661	F	23.9	Very low	24.2	Very low	185 Å²	185	126 Å²	126	81%	0.811	67%	0.672	S	S	*	*				21.3	51.8	75.3	-68.2	-79.4	0	0	0	115.3	N1663	F1661-N1663 VanDerWaalsContact O-CG 3.25Å; F1661-N1663 PolarHBondContact O-ND2 3.48Å; F1661-N1663 PolarHBondContact O-OD1 2.74Å
1662	Q	18.8	Very low	23.9	Very low	172 Å²	172	122.6 Å²	122.6	80%	0.804	66%	0.658	S	S	*	*			trans	-107.1	78.7	132.5	-66.7	-162.9	-8.6	0	0	106.4	P1660	P1660-Q1662 HydrophobicContact CG-CG 4.16Å; P1660-Q1662 PolarHBondContact O-N 2.67Å
1663	N	20	Very low	23.9	Very low	118 Å²	118	121.2 Å²	121.2	63%	0.631	65%	0.647	S	S	*	*				77.7	151.7	79.4	-72.4	-17.4	0	0	0	111.3	F1661 W1665	F1661-N1663 VanDerWaalsContact O-CG 3.25Å; F1661-N1663 PolarHBondContact O-ND2 3.48Å; F1661-N1663 PolarHBondContact O-OD1 2.74Å; N1663-W1665 PolarHBondContact O-N 3.22Å; N1663-W1665 VanDerWaalsContact O-N 3.1Å
1664	G	23.1	Very low	23.5	Very low	51 Å²	51	119.5 Å²	119.5	53%	0.526	63%	0.628	S	S	.	*			trans	-59.2	114.6	157.1	0	0	0	0	0	108.9
1665	W	21.9	Very low	23.5	Very low	220 Å²	220	120.3 Å²	120.3	83%	0.833	63%	0.627	S	S	*	*				-99.2	101.3	89.4	-62.2	80.9	0	0	0	105	N1663	N1663-W1665 PolarHBondContact O-N 3.22Å; N1663-W1665 VanDerWaalsContact O-N 3.1Å
1666	E	20.8	Very low	23.5	Very low	135 Å²	135	121.5 Å²	121.5	63%	0.631	63%	0.628	S	S	*	*			cis	55.5	142.8	46	-151.6	-162.9	-111	0	0	110.5
1667	Q	21.8	Very low	23.8	Very low	114 Å²	114	116.7 Å²	116.7	53%	0.533	60%	0.602	S	S	.	*			trans	71.3	154.2	178.4	-38.9	-177.8	16.5	0	0	111.1
1668	I	23.9	Very low	23.9	Very low	120 Å²	120	114.4 Å²	114.4	62%	0.615	60%	0.598	S	S	*	*			cis	67.8	154.1	24.6	-45.6	166.1	0	0	0	108.4	F1670	I1668-F1670 HydrophobicContact CG2-CD2 4.12Å; I1668-F1670 HydrophobicContact CG2-CE2 4.28Å
1669	P	27.2	Very low	24.4	Very low	90 Å²	90	108.1 Å²	108.1	58%	0.584	57%	0.571	S	S	*	*			cis	-71.9	178.9	-16.6	-10.7	31.9	0	0	0	112.2
1670	F	21.7	Very low	24.7	Very low	114 Å²	114	109.5 Å²	109.5	50%	0.5	57%	0.57	S	S	.	*				53.8	134.7	63.1	-43.8	-146.8	0	0	0	109.9	K564 I1668	K564-F1670 HydrophobicContact CB-CE1 3.73Å; K564-F1670 HydrophobicContact CB-CZ 3.57Å; K564-F1670 HydrophobicContact CD-CE1 3.74Å; K564-F1670 HydrophobicContact CD-CE2 4.23Å; K564-F1670 HydrophobicContact CD-CZ 3.45Å; K564-F1670 VanDerWaalsContact CD-CZ 3.45Å; K564-F1670 VanDerWaalsContact CE-CZ 3.45Å; K564-F1670 HydrophobicContact CG-CE1 4.04Å; K564-F1670 HydrophobicContact CG-CE2 4.43Å; K564-F1670 HydrophobicContact CG-CZ 3.5Å; K564-F1670 VanDerWaalsContact CG-CZ 3.5Å; K564-F1670 VanDerWaalsContact NZ-CE2 3.25Å; K564-F1670 VanDerWaalsContact NZ-CZ 3.27Å; I1668-F1670 HydrophobicContact CG2-CD2 4.12Å; I1668-F1670 HydrophobicContact CG2-CE2 4.28Å
1671	N	22.7	Very low	24.8	Very low	122 Å²	122	110.9 Å²	110.9	65%	0.652	57%	0.572	S	S	*	*				-167.3	168.2	55.3	-105.2	-32.3	0	0	0	110.1
1672	I	24.2	Very low	24.8	Very low	102 Å²	102	113.3 Å²	113.3	52%	0.523	58%	0.576	S	S	.	*			trans	48.4	107.1	136	-58.5	165.9	0	0	0	116.1
1673	C	24.9	Very low	25.2	Very low	99 Å²	99	108.3 Å²	108.3	67%	0.669	57%	0.57	S	S	*	*				63.4	149.2	74.5	-62.3	0	0	0	0	114.7	I1719	C1673-I1719 PolarHBondContact O-N 3.02Å; C1673-I1719 VanDerWaalsContact O-N 3.13Å
1674	P	27.4	Very low	25.4	Very low	58 Å²	58	109.1 Å²	109.1	38%	0.377	58%	0.575	S	S	.	*			cis	-140	-174	-24.3	41.5	-23.6	0	0	0	115
1675	D	28.1	Very low	25.5	Very low	126 Å²	126	111.3 Å²	111.3	67%	0.674	57%	0.571	S	S	*	*			trans	12.2	125.8	149.7	-56.6	-48.9	0	0	0	124.6
1676	Q	26.8	Very low	25.5	Very low	148 Å²	148	104.5 Å²	104.5	69%	0.692	55%	0.55	S	S	*	.				34.6	135.7	120.7	-50.6	-179.8	18.5	0	0	120.7
1677	N	29.9	Very low	25.6	Very low	47 Å²	47	105.4 Å²	105.4	25%	0.251	55%	0.552	S	S	.	*				-177.3	169.5	97.1	-98.4	-63.9	0	0	0	115.3	L734 Y782	L734-N1677 HydrophobicContact CD1-CB 3.93Å; Y782-N1677 HydrophobicContact CD1-CB 4.23Å; Y782-N1677 VanDerWaalsContact CD1-CG 3.44Å; Y782-N1677 WeakPolarHBondContact CD1-OD1 3.34Å; Y782-N1677 HydrophobicContact CD2-CB 3.74Å; Y782-N1677 VanDerWaalsContact CD2-CG 3.42Å; Y782-N1677 HydrophobicContact CE1-CB 3.97Å; Y782-N1677 VanDerWaalsContact CE1-OD1 3.23Å; Y782-N1677 WeakPolarHBondContact CE1-OD1 3.18Å; Y782-N1677 HydrophobicContact CE2-CB 3.43Å; Y782-N1677 VanDerWaalsContact CE2-CB 3.43Å; Y782-N1677 HydrophobicContact CG-CB 4.11Å
1678	S	27.3	Very low	25.5	Very low	55 Å²	55	104.5 Å²	104.5	39%	0.385	56%	0.558	S	S	.	*			trans	-104.2	-137.5	-169.9	47.2	0	0	0	0	113.3	S732 Y782	S732-S1678 CarbonylContact O-C 3.5Å; S732-S1678 VanDerWaalsContact O-C 3.26Å; S732-S1678 VanDerWaalsContact O-O 3.11Å; S732-S1678 PolarHBondContact OG-O 3.27Å; Y782-S1678 VanDerWaalsContact OH-C 3.31Å; Y782-S1678 PolarHBondContact OH-O 2.79Å
1679	P	32.5	Very low	25.4	Very low	14 Å²	14	104 Å²	104	9%	0.091	57%	0.566	C	S	.	*			cis	-145	173.7	41.4	44.7	-25.6	0	0	0	118.5	S732 Y782	S732-P1679 WeakPolarHBondContact OG-CD 3.07Å; Y782-P1679 HydrophobicContact CE1-CB 4.44Å
1680	I	27.8	Very low	25.1	Very low	127 Å²	127	105.3 Å²	105.3	65%	0.651	58%	0.577	S	S	*	*			trans	70.9	122.4	148	-74.5	157.8	0	0	0	116
1681	I	25.9	Very low	25.3	Very low	112 Å²	112	106 Å²	106	57%	0.574	59%	0.593	S	S	*	*			cis	-146.6	137.4	42.6	-58	169.7	0	0	0	112.3
1682	R	24.9	Very low	25.4	Very low	236 Å²	236	107.9 Å²	107.9	89%	0.891	60%	0.597	S	S	*	*			trans	55.4	133.7	161.4	-73.6	172.8	-103.1	-162.8	-5.3	118.6
1683	G	25.6	Very low	25.4	Very low	67 Å²	67	107.3 Å²	107.3	69%	0.691	60%	0.603	S	S	*	*			cis	160.1	156.5	-4.8	0	0	0	0	0	112.3
1684	N	26	Very low	25.3	Very low	135 Å²	135	105.2 Å²	105.2	72%	0.722	59%	0.589	S	S	*	*			trans	64.4	151.9	-179.7	-67.3	-14.9	0	0	0	115.9
1685	Q	23.8	Very low	25.2	Very low	97 Å²	97	110.2 Å²	110.2	45%	0.453	61%	0.609	S	S	.	*			cis	-161.1	148.8	-19.5	-113.5	174.6	47.7	0	0	109.6	N1445	N1445-Q1685 PolarHBondContact ND2-OE1 2.82Å
1686	I	22.5	Very low	25.2	Very low	76 Å²	76	109 Å²	109	39%	0.39	60%	0.603	S	S	.	*			trans	71.3	113.9	138.5	-70.6	174.1	0	0	0	122	L1499	L1499-I1686 HydrophobicContact CD1-CD1 4.47Å; L1499-I1686 HydrophobicContact CD1-CG2 4.38Å
1687	F	22.5	Very low	25.1	Very low	154 Å²	154	106.5 Å²	106.5	68%	0.675	61%	0.608	S	S	*	*			trans	66.5	122.5	136.5	-74.8	-119.2	0	0	0	124.2	L1499	L1499-F1687 HydrophobicContact CD1-CD1 4.41Å; L1499-F1687 HydrophobicContact CD1-CD2 4.05Å; L1499-F1687 HydrophobicContact CD1-CE1 4.09Å; L1499-F1687 HydrophobicContact CD1-CE2 3.7Å; L1499-F1687 HydrophobicContact CD1-CG 4.39Å; L1499-F1687 HydrophobicContact CD1-CZ 3.72Å
1688	S	20.9	Very low	25	Very low	95 Å²	95	110 Å²	110	66%	0.664	62%	0.624	S	S	*	*			trans	62.4	117.4	131.3	71.2	0	0	0	0	123.7
1689	S	21.1	Very low	24.9	Very low	111 Å²	111	112.4 Å²	112.4	78%	0.776	63%	0.633	S	S	*	*			trans	56.1	96.7	133.8	64.7	0	0	0	0	121.2
1690	S	21.8	Very low	24.5	Very low	117 Å²	117	117.1 Å²	117.1	82%	0.818	66%	0.655	S	S	*	*			trans	-172.8	155.8	135.5	51.6	0	0	0	0	111.3
1691	P	25.4	Very low	24.3	Very low	127 Å²	127	117.5 Å²	117.5	83%	0.825	65%	0.654	S	S	*	*			trans	-130.4	123.5	152	32.5	-18.8	0	0	0	112.5	S1693	P1691-S1693 PolarHBondContact O-N 2.95Å
1692	H	24.1	Very low	24.2	Very low	162 Å²	162	115.3 Å²	115.3	75%	0.75	64%	0.643	S	S	*	*			trans	-81.6	112.4	-177.2	-162.5	-96.2	0	0	0	111.5	S1694	H1692-S1694 PolarHBondContact CE1-OG 2.83Å; H1692-S1694 PolarHBondContact ND1-OG 3.42Å; H1692-S1694 PolarHBondContact O-N 2.97Å; H1692-S1694 VanDerWaalsContact O-N 3.09Å
1693	S	23.7	Very low	24.2	Very low	91 Å²	91	108.9 Å²	108.9	64%	0.636	62%	0.622	S	S	*	*			trans	-83.3	81.2	179.5	55.6	0	0	0	0	112.5	K1217 P1691	K1217-S1693 PolarHBondContact NZ-O 2.86Å; K1217-S1693 PolarHBondContact NZ-OG 3.02Å; K1217-S1693 VanDerWaalsContact NZ-OG 3.13Å; P1691-S1693 PolarHBondContact O-N 2.95Å
1694	S	23.7	Very low	24.2	Very low	55 Å²	55	109.3 Å²	109.3	39%	0.385	61%	0.608	S	S	.	*			trans	-142.9	62.1	176.2	66.3	0	0	0	0	112.8	H1692	H1692-S1694 PolarHBondContact CE1-OG 2.83Å; H1692-S1694 PolarHBondContact ND1-OG 3.42Å; H1692-S1694 PolarHBondContact O-N 2.97Å; H1692-S1694 VanDerWaalsContact O-N 3.09Å
1695	M	25.4	Very low	24.1	Very low	162 Å²	162	105.3 Å²	105.3	80%	0.798	59%	0.591	S	S	*	*			trans	-146.2	150.6	172.9	-71.9	178.3	76.3	0	0	108.3
1696	N	28.1	Very low	24.3	Very low	101 Å²	101	104.1 Å²	104.1	54%	0.54	59%	0.592	S	S	.	*			cis	-164.2	151.9	-19.1	-110.8	-13.4	0	0	0	109.3	M1698	N1696-M1698 HydrophobicContact CB-CE 3.68Å; N1696-M1698 HydrophobicContact CB-CG 3.97Å
1697	A	24.8	Very low	24.4	Very low	96 Å²	96	103.3 Å²	103.3	79%	0.793	59%	0.588	S	S	*	*			trans	-135.2	99.7	147.9	0	0	0	0	0	104.6
1698	M	28.3	Very low	24.6	Very low	119 Å²	119	101.5 Å²	101.5	59%	0.586	58%	0.581	S	S	*	*				59.1	132.4	63.6	-47.7	-164.8	-165.7	0	0	110.7	N1696	N1696-M1698 HydrophobicContact CB-CE 3.68Å; N1696-M1698 HydrophobicContact CB-CG 3.97Å
1699	N	23.6	Very low	25	Very low	107 Å²	107	98.3 Å²	98.3	57%	0.572	56%	0.557	S	S	*	*			cis	-154.7	179.3	41.4	-152.5	-5.3	0	0	0	115.5	R1528	R1528-N1699 WeakPolarHBondContact CD-O 3.35Å; R1528-N1699 VanDerWaalsContact NH1-C 3.32Å; R1528-N1699 PolarHBondContact NH1-O 2.02Å
1700	M	25	Very low	25.1	Very low	113 Å²	113	95.4 Å²	95.4	56%	0.557	53%	0.531	S	S	*	.			trans	59.7	121.6	154.7	-52.7	-154	-169.1	0	0	123.8	R1528	R1528-M1700 WeakPolarHBondContact CD-O 3.28Å
1701	Q	24.1	Very low	25.4	Very low	135 Å²	135	93.1 Å²	93.1	63%	0.631	51%	0.506	S	S	*	.				53.3	148.5	121	-56.1	170.1	12.9	0	0	121.4	R1528	R1528-Q1701 CarbonylContact O-C 3.54Å; R1528-Q1701 WeakPolarHBondContact O-CA 3.08Å; R1528-Q1701 PolarHBondContact O-N 2.81Å
1702	N	23.7	Very low	25.5	Very low	66 Å²	66	90.2 Å²	90.2	35%	0.353	49%	0.486	S	S	.	.			cis	-158.9	164.5	-18.3	-103.2	-6.1	0	0	0	108.8	R1528 H1530	R1528-N1702 WeakPolarHBondContact O-CA 3.27Å; R1528-N1702 PolarHBondContact O-N 2.92Å; R1528-N1702 VanDerWaalsContact O-N 3.1Å; H1530-N1702 HydrophobicContact CB-CB 4.22Å; H1530-N1702 PolarHBondContact CD2-OD1 3Å; H1530-N1702 VanDerWaalsContact CD2-OD1 3.27Å
1703	F	24	Very low	25.6	Very low	101 Å²	101	86.2 Å²	86.2	44%	0.443	47%	0.471	S	S	.	.			trans	68.9	135.2	-178.9	-39.5	-75.3	0	0	0	115.7	Q1527 G1529 H1530 W1531	Q1527-F1703 PolarHBondContact OE1-O 2.87Å; G1529-F1703 CarbonylContact O-C 3.53Å; G1529-F1703 WeakPolarHBondContact O-CA 3.45Å; G1529-F1703 PolarHBondContact O-N 2.8Å; G1529-F1703 VanDerWaalsContact O-N 3.12Å; H1530-F1703 VanDerWaalsContact N-CA 3.33Å; H1530-F1703 VanDerWaalsContact N-N 3.1Å; W1531-F1703 AromaticContact CD1-CE1 3.72Å
1704	N	25	Very low	25.8	Very low	76 Å²	76	90.8 Å²	90.8	41%	0.406	47%	0.474	S	S	.	.			cis	-155	-165.3	4.8	-145.8	71.4	0	0	0	113.7	Q1527 G1529 W1531	Q1527-N1704 PolarHBondContact OE1-O 3.32Å; G1529-N1704 PolarHBondContact O-N 3.43Å; W1531-N1704 WeakPolarHBondContact CB-OD1 3.17Å; W1531-N1704 CarbonylContact O-C 3.47Å; W1531-N1704 PolarHBondContact O-ND2 2.89Å
1705	S	25.6	Very low	26.1	Very low	50 Å²	50	92.6 Å²	92.6	35%	0.35	48%	0.484	S	S	.	.			trans	-135.3	179.3	171.1	74.2	0	0	0	0	111.8	W1531 D1532	W1531-S1705 VanDerWaalsContact O-CB 3.24Å; W1531-S1705 WeakPolarHBondContact O-CB 3.32Å; W1531-S1705 PolarHBondContact O-N 3.35Å; W1531-S1705 PolarHBondContact O-OG 2.93Å; D1532-S1705 WeakPolarHBondContact CA-OG 3.16Å
1706	P	27.6	Very low	26	Very low	73 Å²	73	89.7 Å²	89.7	47%	0.474	48%	0.48	S	S	.	.				-145.7	158.2	74.4	36.5	-16.4	0	0	0	119	S1533	S1533-P1706 VanDerWaalsContact C-CB 3.47Å
1707	N	25.1	Very low	25.8	Very low	59 Å²	59	89.9 Å²	89.9	32%	0.316	49%	0.489	S	S	.	.	S	Bend	trans	79.9	104.3	171.2	-51.8	-83.4	0	0	0	116	R1534 W1535	R1534-N1707 VanDerWaalsContact CA-OD1 3.27Å; R1534-N1707 WeakPolarHBondContact CA-OD1 3.35Å; W1535-N1707 VanDerWaalsContact C-ND2 3.33Å; W1535-N1707 PolarHBondContact O-ND2 2.83Å
1708	H	26.9	Very low	25.8	Very low	115 Å²	115	89.9 Å²	89.9	53%	0.532	48%	0.476	S	S	.	.	S	Bend	cis	-147.7	105.7	47	-133.8	-119.6	0	0	0	111.2	Q1873	H1708-Q1873 PolarHBondContact CE1-NE2 3.06Å; H1708-Q1873 PolarHBondContact NE2-NE2 2.94Å
1709	I	27.6	Very low	25.8	Very low	29 Å²	29	87.9 Å²	87.9	15%	0.149	47%	0.467	C	S	.	.			trans	41.1	100	148.6	-38.1	-175.7	0	0	0	116.6	Q1873 S1874 P1875	I1709-Q1873 HydrophobicContact CD1-CB 4.19Å; I1709-Q1873 HydrophobicContact CD1-CG 3.9Å; I1709-S1874 WeakPolarHBondContact CG2-O 3.37Å; I1709-S1874 WeakPolarHBondContact CG2-OG 3.22Å; I1709-P1875 HydrophobicContact CG2-CB 4.41Å
1710	E	24.6	Very low	25.9	Very low	50 Å²	50	84.7 Å²	84.7	23%	0.234	45%	0.452	C	S	.	.				55.7	130	87.3	-44.2	146.3	67.5	0	0	113	D1532 R1534 S1874	D1532-E1710 HydrophobicContact CB-CG 4.48Å; D1532-E1710 WeakPolarHBondContact OD1-CG 3.28Å; R1534-E1710 IonicContact CZ-OE2 2.8Å; R1534-E1710 IonicContact NE-OE2 3.63Å; R1534-E1710 PolarHBondContact NE-OE2 3.47Å; R1534-E1710 IonicContact NH2-OE1 2.63Å; R1534-E1710 PolarHBondContact NH2-OE1 2.75Å; R1534-E1710 IonicContact NH2-OE2 3.07Å; R1534-E1710 PolarHBondContact NH2-OE2 3.4Å; E1710-S1874 PolarHBondContact O-OG 2.79Å
1711	F	27.5	Very low	26	Very low	68 Å²	68	84.3 Å²	84.3	30%	0.298	45%	0.452	S	S	.	.			cis	-139.3	152.3	17.8	-75.9	-103.3	0	0	0	108.4	P1875 Q1876 Q1877	F1711-P1875 HydrophobicContact CE2-CB 3.82Å; F1711-Q1876 HydrophobicContact CB-CB 4.34Å; F1711-Q1876 HydrophobicContact CB-CG 3.78Å; F1711-Q1876 VanDerWaalsContact CB-OE1 3.27Å; F1711-Q1876 HydrophobicContact CD1-CB 3.93Å; F1711-Q1876 HydrophobicContact CD1-CG 4.32Å; F1711-Q1876 HydrophobicContact CD2-CB 3.6Å; F1711-Q1876 HydrophobicContact CD2-CG 3.66Å; F1711-Q1876 VanDerWaalsContact CD2-N 3.33Å; F1711-Q1876 HydrophobicContact CE1-CB 4.14Å; F1711-Q1876 HydrophobicContact CE2-CB 3.88Å; F1711-Q1876 HydrophobicContact CE2-CG 4.41Å; F1711-Q1876 HydrophobicContact CG-CB 3.69Å; F1711-Q1876 HydrophobicContact CG-CG 3.66Å; F1711-Q1876 HydrophobicContact CZ-CB 4.13Å; F1711-Q1876 WeakPolarHBondContact CZ-O 3.17Å; F1711-Q1877 HydrophobicContact CD1-CB 4.42Å; F1711-Q1877 HydrophobicContact CD1-CG 4.19Å; F1711-Q1877 HydrophobicContact CE1-CB 3.89Å; F1711-Q1877 HydrophobicContact CE1-CG 4.16Å; F1711-Q1877 HydrophobicContact CZ-CB 4.48Å
1712	T	26.9	Very low	26.1	Very low	67 Å²	67	83.6 Å²	83.6	41%	0.411	45%	0.448	S	S	.	.				57.3	105.5	70.3	99.8	0	0	0	0	117.8	Q1876 Q1877	T1712-Q1876 PolarHBondContact O-NE2 2.78Å; T1712-Q1876 PolarHBondContact O-OE1 3.35Å; T1712-Q1877 PolarHBondContact OG1-NE2 2.8Å
1713	N	26.6	Very low	26.5	Very low	78 Å²	78	80.9 Å²	80.9	42%	0.417	43%	0.434	S	S	.	.				95.1	162.8	111.5	-64.8	13.3	0	0	0	123.4	C2096 V2097 L2098	N1713-C2096 PolarHBondContact ND2-O 2.77Å; N1713-V2097 VanDerWaalsContact CB-O 3.25Å; N1713-V2097 WeakPolarHBondContact CB-O 3.22Å; N1713-V2097 VanDerWaalsContact ND2-C 3.28Å; N1713-L2098 HydrophobicContact CB-CB 3.76Å; N1713-L2098 VanDerWaalsContact CG-N 3.27Å; N1713-L2098 PolarHBondContact ND2-N 2.85Å; N1713-L2098 WeakPolarHBondContact OD1-CB 3.31Å
1714	R	27.3	Very low	26.7	Very low	187 Å²	187	76.7 Å²	76.7	71%	0.706	42%	0.417	S	S	*	.			trans	-122.2	-179.1	-160.2	-113.8	-176.2	-179.5	170.5	-1.4	111.3	V2097 L2098	R1714-V2097 PolarHBondContact N-O 2.54Å; R1714-V2097 VanDerWaalsContact N-O 3.08Å; R1714-L2098 HydrophobicContact CB-CB 4.26Å; R1714-L2098 HydrophobicContact CB-CD1 3.73Å; R1714-L2098 HydrophobicContact CB-CG 3.83Å; R1714-L2098 HydrophobicContact CG-CD1 3.68Å; R1714-L2098 HydrophobicContact CG-CG 4.1Å
1715	P	30.1	Very low	26.9	Very low	92 Å²	92	73.1 Å²	73.1	60%	0.597	40%	0.399	S	S	*	.			cis	-139.3	179.1	-3	36	-14.4	0	0	0	118.3
1716	S	22.8	Very low	27.2	Very low	102 Å²	102	71.6 Å²	71.6	71%	0.713	39%	0.387	S	S	*	.			trans	73.9	142.2	143.9	49.4	0	0	0	0	124.2
1717	S	24.5	Very low	27.1	Very low	104 Å²	104	73.8 Å²	73.8	73%	0.727	39%	0.394	S	S	*	.			trans	60.6	136.3	172.6	33.9	0	0	0	0	115.8
1718	D	25.3	Very low	27.1	Very low	97 Å²	97	75.9 Å²	75.9	52%	0.519	40%	0.404	S	S	.	.			cis	-161.7	170.8	28.2	-121.2	-13.3	0	0	0	112.3
1719	I	27.2	Very low	26.9	Very low	77 Å²	77	77.2 Å²	77.2	40%	0.395	42%	0.415	S	S	.	.			trans	51.2	142.7	141.8	-63	170.2	0	0	0	121	E737 C1673	E737-I1719 WeakPolarHBondContact OE2-CG2 3.27Å; C1673-I1719 PolarHBondContact O-N 3.02Å; C1673-I1719 VanDerWaalsContact O-N 3.13Å
1720	S	26.7	Very low	26.8	Very low	39 Å²	39	82.6 Å²	82.6	27%	0.273	45%	0.445	S	S	.	.			cis	-174.2	163.6	-24.1	73.8	0	0	0	0	112.9	K719	K719-S1720 WeakPolarHBondContact CE-O 3.44Å; K719-S1720 PolarHBondContact NZ-O 3Å
1721	I	26.3	Very low	26.9	Very low	105 Å²	105	84.2 Å²	84.2	54%	0.538	47%	0.466	S	S	.	.			trans	68.2	114.5	144.7	-71.8	166.7	0	0	0	122.7
1722	Q	26.7	Very low	26.8	Very low	121 Å²	121	86.9 Å²	86.9	57%	0.565	48%	0.484	S	S	*	.				42.7	-173.7	126.4	-106.4	-155.9	-4.8	0	0	122.1	P778	P778-Q1722 WeakPolarHBondContact CD-O 3Å; P778-Q1722 VanDerWaalsContact CG-CA 3.48Å; P778-Q1722 HydrophobicContact CG-CB 4.46Å; P778-Q1722 HydrophobicContact CG-CG 4.32Å
1723	P	31.6	Very low	26.6	Very low	8 Å²	8	92.1 Å²	92.1	5%	0.052	50%	0.504	C	S	.	.			cis	-122.8	-173.2	-16.9	9.1	18.6	0	0	0	115.7	P716 P717 N777 P778	P716-P1723 HydrophobicContact CB-CB 3.81Å; P716-P1723 HydrophobicContact CB-CG 4.24Å; P716-P1723 HydrophobicContact CG-CB 3.9Å; P716-P1723 WeakPolarHBondContact O-CB 3.36Å; P716-P1723 VanDerWaalsContact O-CD 3.28Å; P716-P1723 WeakPolarHBondContact O-CD 3.49Å; P716-P1723 VanDerWaalsContact O-CG 3.23Å; P716-P1723 WeakPolarHBondContact O-CG 3.34Å; P717-P1723 HydrophobicContact CB-CG 4.13Å; P717-P1723 WeakPolarHBondContact O-CD 3.4Å; P717-P1723 WeakPolarHBondContact O-CG 3.33Å; N777-P1723 CarbonylContact C-O 3.51Å; N777-P1723 VanDerWaalsContact C-O 3.26Å; N777-P1723 VanDerWaalsContact CA-O 3.25Å; N777-P1723 WeakPolarHBondContact CA-O 3.22Å; N777-P1723 WeakPolarHBondContact CB-O 3.48Å; P778-P1723 WeakPolarHBondContact CD-O 3.47Å
1724	S	29.4	Very low	26.5	Very low	13 Å²	13	94.5 Å²	94.5	9%	0.091	52%	0.521	C	S	.	.			trans	-154.3	97.2	-163.1	63.8	0	0	0	0	121.1	Y577 N715 P778	Y577-S1724 WeakPolarHBondContact CB-O 3.35Å; Y577-S1724 WeakPolarHBondContact CD1-O 3.4Å; Y577-S1724 VanDerWaalsContact CD2-O 3.26Å; Y577-S1724 WeakPolarHBondContact CD2-O 3.07Å; N715-S1724 CarbonylContact O-C 3.12Å; P778-S1724 WeakPolarHBondContact O-CB 3.47Å
1725	S	28.5	Very low	26.3	Very low	2 Å²	2	90.3 Å²	90.3	1%	0.014	53%	0.527	C	S	.	.			trans	-166.9	-179.7	171.8	109.6	0	0	0	0	118.4	M681 Y682 T683 N715 P716	M681-S1725 WeakPolarHBondContact O-CA 3.15Å; M681-S1725 WeakPolarHBondContact O-CB 3.43Å; Y682-S1725 CarbonylContact C-O 3.5Å; T683-S1725 WeakPolarHBondContact CA-O 3.19Å; T683-S1725 PolarHBondContact N-O 2.82Å; T683-S1725 PolarHBondContact OG1-O 2.89Å; N715-S1725 VanDerWaalsContact C-N 3.35Å; N715-S1725 CarbonylContact C-O 3.58Å; N715-S1725 WeakPolarHBondContact CB-O 3.35Å; N715-S1725 PolarHBondContact ND2-OG 3.29Å; N715-S1725 CarbonylContact O-C 3.3Å; N715-S1725 PolarHBondContact O-N 3Å; N715-S1725 PolarHBondContact OD1-OG 2.86Å; P716-S1725 VanDerWaalsContact CD-CB 3.49Å
1726	V	31.6	Very low	25.9	Very low	18 Å²	18	92.5 Å²	92.5	11%	0.109	54%	0.538	C	S	.	.			trans	-87.4	162.5	-162.9	97	0	0	0	0	117.5	M681 Y682 T683 N715 I1728	M681-V1726 HydrophobicContact CB-CB 3.51Å; M681-V1726 HydrophobicContact CB-CG1 3.7Å; M681-V1726 HydrophobicContact CB-CG2 3.94Å; Y682-V1726 VanDerWaalsContact C-CA 3.45Å; Y682-V1726 VanDerWaalsContact N-CB 3.27Å; Y682-V1726 WeakPolarHBondContact O-CG2 3.26Å; T683-V1726 HydrophobicContact CG2-CB 4.44Å; T683-V1726 HydrophobicContact CG2-CG2 3.85Å; T683-V1726 WeakPolarHBondContact OG1-CA 3.23Å; N715-V1726 PolarHBondContact ND2-O 2.71Å; V1726-I1728 HydrophobicContact CG2-CD1 4.48Å
1727	L	25.3	Very low	26.1	Very low	119 Å²	119	91.8 Å²	91.8	62%	0.623	54%	0.538	S	S	*	.			trans	162.1	134	138.2	-83.8	156.6	0	0	0	106.6	T683	T683-L1727 PolarHBondContact OG1-N 3.24Å
1728	I	25.1	Very low	26	Very low	102 Å²	102	97.3 Å²	97.3	52%	0.523	55%	0.545	S	S	.	.			cis	58.3	69	21.8	-45.7	-176.9	0	0	0	113.5	V1726	V1726-I1728 HydrophobicContact CG2-CD1 4.48Å
1729	N	24	Very low	26	Very low	144 Å²	144	100 Å²	100	77%	0.77	56%	0.558	S	S	*	*				-174.7	167.8	106.7	-99.4	-28.5	0	0	0	113.2
1730	N	25.5	Very low	25.8	Very low	142 Å²	142	102.5 Å²	102.5	76%	0.759	57%	0.572	S	S	*	*			trans	-51.1	140.7	164.7	-45.6	-11.6	0	0	0	111.4
1731	A	25.2	Very low	25.6	Very low	83 Å²	83	107.6 Å²	107.6	69%	0.686	59%	0.592	S	S	*	*				-148.3	155	113.5	0	0	0	0	0	105.8
1732	D	25.3	Very low	25.6	Very low	125 Å²	125	108 Å²	108	67%	0.668	60%	0.595	S	S	*	*			cis	57.9	129	42.3	-55.8	-54.1	0	0	0	110
1733	Q	24.1	Very low	25.6	Very low	177 Å²	177	109.5 Å²	109.5	83%	0.827	61%	0.607	S	S	*	*				37.4	79.4	79.4	-55	-169.9	14.6	0	0	110.9
1734	T	23.2	Very low	25.5	Very low	127 Å²	127	112 Å²	112	78%	0.779	64%	0.635	S	S	*	*				-175.3	139.5	91.1	29.5	0	0	0	0	112.1
1735	A	23.5	Very low	25.3	Very low	100 Å²	100	117.9 Å²	117.9	83%	0.826	67%	0.67	S	S	*	*			trans	-89.9	140.4	156.1	0	0	0	0	0	109.1
1736	V	23	Very low	25.2	Very low	137 Å²	137	122.9 Å²	122.9	83%	0.83	70%	0.7	S	S	*	*			trans	-139.1	103.1	167.9	-176.5	0	0	0	0	109.4
1737	A	26.4	Very low	24.9	Very low	88 Å²	88	130.3 Å²	130.3	73%	0.727	73%	0.734	S	S	*	*			trans	-144.5	99.6	171.5	0	0	0	0	0	110.6
1738	Y	23.3	Very low	24.8	Very low	220 Å²	220	128 Å²	128	86%	0.863	73%	0.732	S	S	*	*			trans	46.1	128.3	155.6	-67.7	-87.1	0	0	0	121.9
1739	L	25.2	Very low	24.8	Very low	153 Å²	153	130.1 Å²	130.1	80%	0.801	74%	0.743	S	S	*	*			trans	76.7	115.3	150.2	-65.3	162.2	0	0	0	119.9
1740	N	21.9	Very low	24.9	Very low	130 Å²	130	131.5 Å²	131.5	70%	0.695	75%	0.745	S	S	*	*			trans	50.1	123.7	141.3	-82.6	31.2	0	0	0	123.1
1741	Q	23.5	Very low	24.9	Very low	145 Å²	145	129.6 Å²	129.6	68%	0.678	74%	0.735	S	S	*	*			trans	89.5	106.9	130.4	-72.4	-174.4	-96.8	0	0	121.3
1742	D	25	Very low	25	Very low	115 Å²	115	130.5 Å²	130.5	62%	0.615	73%	0.727	S	S	*	*				88.7	118.5	121.9	-57.3	-13.5	0	0	0	120.3
1743	N	27.4	Very low	25.2	Very low	151 Å²	151	132.5 Å²	132.5	81%	0.807	73%	0.732	S	S	*	*			trans	58.4	99.1	148.7	-53.4	-32.2	0	0	0	117.1
1744	G	28.5	Very low	25.2	Very low	62 Å²	62	129.7 Å²	129.7	64%	0.639	72%	0.723	S	S	*	*			cis	100.5	-179.8	11.2	0	0	0	0	0	112.7
1745	T	26.8	Very low	25.5	Very low	136 Å²	136	133 Å²	133	83%	0.834	72%	0.723	S	S	*	*			trans	68.3	150.3	-179.3	81.5	0	0	0	0	113.9
1746	V	25.7	Very low	25.7	Very low	106 Å²	106	135.7 Å²	135.7	64%	0.642	72%	0.718	S	S	*	*			cis	-159.8	143.7	-10.6	112.2	0	0	0	0	107.3
1747	E	24.1	Very low	25.9	Very low	175 Å²	175	135 Å²	135	82%	0.818	71%	0.709	S	S	*	*			trans	51.1	150.2	148.1	-65.8	167.5	-158.2	0	0	121.1
1748	A	24.8	Very low	25.9	Very low	71 Å²	71	135.9 Å²	135.9	59%	0.587	71%	0.709	S	S	*	*			cis	-164.8	-173.5	-14.1	0	0	0	0	0	108.8	Q1750	A1748-Q1750 PolarHBondContact O-N 3.2Å
1749	I	24.8	Very low	26	Very low	145 Å²	145	129.1 Å²	129.1	74%	0.744	69%	0.694	S	S	*	*				-0.4	116.3	128.1	-45.8	156.1	0	0	0	112.9
1750	Q	25.3	Very low	26.2	Very low	173 Å²	173	130.9 Å²	130.9	81%	0.808	70%	0.698	S	S	*	*				166.8	135.1	126.8	-87.8	-161	30.9	0	0	109.5	A1748	A1748-Q1750 PolarHBondContact O-N 3.2Å
1751	N	25.4	Very low	26.6	Very low	103 Å²	103	133.6 Å²	133.6	55%	0.551	70%	0.704	S	S	*	*			cis	-165.8	175.7	-14.2	-129.1	-6.5	0	0	0	109.9
1752	I	27	Very low	26.5	Very low	102 Å²	102	135.1 Å²	135.1	52%	0.523	71%	0.713	S	S	.	*			trans	26.4	132.6	133.7	-59.7	168.3	0	0	0	117.1
1753	Q	29.9	Very low	26.7	Very low	166 Å²	166	138.3 Å²	138.3	78%	0.776	72%	0.724	S	S	*	*			cis	-123.1	143.6	24.3	-104.2	101.2	10.6	0	0	110.5
1754	N	25.6	Very low	26.8	Very low	119 Å²	119	135.7 Å²	135.7	64%	0.636	72%	0.715	S	S	*	*			cis	67.2	140.5	45.4	-68.1	-14.4	0	0	0	115
1755	Y	27.6	Very low	26.6	Very low	197 Å²	197	137 Å²	137	77%	0.773	71%	0.71	S	S	*	*			trans	71.5	130.8	-174.7	-59.2	-85.3	0	0	0	114.2
1756	H	29	Very low	26.6	Very low	156 Å²	156	139 Å²	139	72%	0.722	71%	0.708	S	S	*	*			cis	-134.8	162.9	7.5	-107.2	-72.4	0	0	0	113.5
1757	D	26.3	Very low	27	Very low	121 Å²	121	138.3 Å²	138.3	65%	0.647	71%	0.706	S	S	*	*			trans	-2.8	123.5	149.5	-64.1	-76.7	0	0	0	117.8
1758	C	26.6	Very low	27.1	Very low	107 Å²	107	137.3 Å²	137.3	72%	0.723	71%	0.706	S	S	*	*				76.9	126.9	84	-66.2	0	0	0	0	115.6
1759	S	24.7	Very low	27.2	Very low	78 Å²	78	139 Å²	139	55%	0.545	71%	0.713	S	S	.	*	S	Bend	trans	58.2	124.7	151.9	50.1	0	0	0	0	120.4	F1761	S1759-F1761 VanDerWaalsContact C-N 3.26Å; S1759-F1761 WeakPolarHBondContact O-CD2 3.37Å; S1759-F1761 PolarHBondContact O-N 3.19Å
1760	E	31.4	Very low	27.5	Very low	191 Å²	191	137.5 Å²	137.5	89%	0.893	71%	0.714	S	S	*	*	S	Bend	trans	62.5	-9	131.2	-58.3	176.7	150	0	0	120.9
1761	F	28.4	Very low	27.6	Very low	187 Å²	187	134 Å²	134	82%	0.82	71%	0.709	S	S	*	*			trans	-108.8	159.3	-163.9	-84.5	-102.8	0	0	0	116.1	S1759	S1759-F1761 VanDerWaalsContact C-N 3.26Å; S1759-F1761 WeakPolarHBondContact O-CD2 3.37Å; S1759-F1761 PolarHBondContact O-N 3.19Å
1762	M	22.5	Very low	27.9	Very low	176 Å²	176	134.5 Å²	134.5	87%	0.867	72%	0.718	S	S	*	*			trans	-74.6	129.7	-172.3	-66.5	176.3	163.8	0	0	114.2
1763	H	28.5	Very low	27.9	Very low	182 Å²	182	136.8 Å²	136.8	84%	0.843	73%	0.731	S	S	*	*			trans	56.5	-142.6	139.1	-75.7	-66.7	0	0	0	116.6
1764	P	30.3	Very low	27.7	Very low	97 Å²	97	135 Å²	135	63%	0.63	73%	0.726	S	S	*	*				-136	170.3	-94.7	42.8	-28.6	0	0	0	120.3
1765	V	23.8	Very low	27.7	Very low	88 Å²	88	133.2 Å²	133.2	53%	0.533	72%	0.722	S	S	.	*			trans	70.1	152.8	155.2	-126.3	0	0	0	0	123.4
1766	F	26.2	Very low	27.6	Very low	179 Å²	179	130.1 Å²	130.1	79%	0.785	72%	0.719	S	S	*	*			trans	83.3	161.4	145.1	-74.7	-44.5	0	0	0	120.6
1767	P	35.4	Very low	27.5	Very low	92 Å²	92	127.6 Å²	127.6	60%	0.597	72%	0.715	S	S	*	*			cis	-136.6	-171.3	-13.2	26.9	-2.5	0	0	0	116.2
1768	N	26.6	Very low	27.5	Very low	154 Å²	154	129.4 Å²	129.4	82%	0.824	72%	0.719	S	S	*	*			trans	84	142.9	161.6	-52	-39.7	0	0	0	117
1769	S	27.1	Very low	27.6	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	72%	0.715	S	S	*	*			cis	-149.7	170.3	15.7	61	0	0	0	0	114.6
1770	C	29.6	Very low	27.8	Very low	114 Å²	114	132 Å²	132	77%	0.77	72%	0.72	S	S	*	*			trans	66.8	79.8	158.7	-63.7	0	0	0	0	120.6
1771	S	27.5	Very low	27.6	Very low	100 Å²	100	127.9 Å²	127.9	70%	0.699	70%	0.704	S	S	*	*				-1.5	150	119.2	58.2	0	0	0	0	118.5
1772	P	33.3	Very low	27.5	Very low	113 Å²	113	128.4 Å²	128.4	73%	0.734	70%	0.7	S	S	*	*			cis	-141.9	159.6	41.4	43	-25.6	0	0	0	118.8
1773	L	25.1	Very low	27.7	Very low	151 Å²	151	125 Å²	125	79%	0.791	69%	0.686	S	S	*	*			trans	23.3	153.2	131.8	-73.7	75	0	0	0	119.5
1774	N	26.1	Very low	27.8	Very low	128 Å²	128	123.8 Å²	123.8	68%	0.684	68%	0.684	S	S	*	*			cis	174.8	-165.3	-10.1	-176.5	29.1	0	0	0	103.5
1775	C	25.6	Very low	27.5	Very low	82 Å²	82	125.2 Å²	125.2	55%	0.554	68%	0.682	S	S	*	*			trans	67.9	104.4	155.8	-67	0	0	0	0	114.2
1776	D	25.9	Very low	27.6	Very low	132 Å²	132	128.2 Å²	128.2	71%	0.706	69%	0.694	S	S	*	*				101.2	141.6	77.8	-76.3	-20.5	0	0	0	108.3
1777	T	27.2	Very low	27.7	Very low	103 Å²	103	124.3 Å²	124.3	63%	0.632	69%	0.687	S	S	*	*			cis	-143.2	170.6	-4.5	6.3	0	0	0	0	109.3
1778	E	26.3	Very low	27.2	Very low	158 Å²	158	126.3 Å²	126.3	74%	0.738	70%	0.697	S	S	*	*			trans	-32.4	150.6	141.5	-51.6	173.2	121.2	0	0	111.7
1779	N	27.5	Very low	27.5	Very low	117 Å²	117	124 Å²	124	63%	0.626	69%	0.69	S	S	*	*				-173.6	136.3	116.5	-103.4	-64.7	0	0	0	111.3
1780	N	29	Very low	27.4	Very low	122 Å²	122	124.5 Å²	124.5	65%	0.652	69%	0.689	S	S	*	*			trans	71.8	141.9	137	-62.1	-19.8	0	0	0	120.2
1781	L	27.1	Very low	27.3	Very low	106 Å²	106	125.2 Å²	125.2	56%	0.555	68%	0.681	S	S	*	*			cis	-163.4	171	-17.6	-120.5	163	0	0	0	109.1
1782	R	27.1	Very low	27.2	Very low	197 Å²	197	128.8 Å²	128.8	74%	0.743	68%	0.679	S	S	*	*			trans	71.8	108.4	158.5	-74.7	138.6	-153	-108.4	-1.3	115.1
1783	N	26.9	Very low	26.7	Very low	106 Å²	106	132.2 Å²	132.2	57%	0.567	68%	0.678	S	S	*	*				69.2	114.8	66.2	-62.8	30.2	0	0	0	111
1784	I	29.9	Very low	26.7	Very low	156 Å²	156	131.4 Å²	131.4	80%	0.8	67%	0.673	S	S	*	*				-170.7	99.5	100.7	-87.9	151.3	0	0	0	104.2
1785	E	24.8	Very low	26.6	Very low	127 Å²	127	130.6 Å²	130.6	59%	0.593	67%	0.673	S	S	*	*				71.3	113.8	72.6	-71.6	-173.8	112.7	0	0	114.2
1786	L	26	Very low	26.5	Very low	151 Å²	151	133 Å²	133	79%	0.791	68%	0.681	S	S	*	*			trans	64.5	179	145.9	-81.8	73.3	0	0	0	115.5
1787	P	26.9	Very low	26.5	Very low	97 Å²	97	134 Å²	134	63%	0.63	68%	0.684	S	S	*	*				-131.2	166.1	-59.8	37.2	-23.8	0	0	0	112.1
1788	T	25.7	Very low	26.4	Very low	133 Å²	133	132.5 Å²	132.5	82%	0.816	69%	0.69	S	S	*	*				171.8	130	118.8	29.7	0	0	0	0	112.4
1789	P	33.4	Very low	26.5	Very low	105 Å²	105	135.5 Å²	135.5	68%	0.682	69%	0.694	S	S	*	*			trans	-89	-164.5	152.5	37	-31.4	0	0	0	110.2
1790	T	24.7	Very low	26.3	Very low	116 Å²	116	135.2 Å²	135.2	71%	0.712	70%	0.696	S	S	*	*			trans	83.9	170.9	172.6	85.7	0	0	0	0	116.7
1791	H	26.7	Very low	26.1	Very low	130 Å²	130	136.2 Å²	136.2	60%	0.602	70%	0.701	S	S	*	*			trans	81.1	103.4	176.7	-71	43.8	0	0	0	115
1792	R	25.1	Very low	26	Very low	175 Å²	175	136.7 Å²	136.7	66%	0.66	71%	0.709	S	S	*	*				86.8	142.9	68.5	-80	-176.5	-175.1	171.1	-4.6	109.2
1793	R	23.8	Very low	25.8	Very low	184 Å²	184	133.9 Å²	133.9	69%	0.694	70%	0.704	S	S	*	*			cis	-165.2	170	-3.2	-120	171.8	176.4	177.1	-5.9	109.8
1794	L	24.3	Very low	25.6	Very low	134 Å²	134	136.6 Å²	136.6	70%	0.702	71%	0.711	S	S	*	*			trans	37	115.9	142.7	-62.7	168	0	0	0	119.2
1795	V	24.1	Very low	25.4	Very low	112 Å²	112	133.9 Å²	133.9	68%	0.679	71%	0.706	S	S	*	*				76.4	108.1	71.8	166.1	0	0	0	0	113.6
1796	N	24.5	Very low	25.5	Very low	133 Å²	133	134 Å²	134	71%	0.711	71%	0.71	S	S	*	*				-171.3	142.6	111.1	-100.6	-35.2	0	0	0	114.6
1797	I	24.7	Very low	25.5	Very low	151 Å²	151	137.4 Å²	137.4	77%	0.774	71%	0.713	S	S	*	*			trans	27.4	127.6	135.9	-50.5	162.2	0	0	0	117.2
1798	G	26.8	Very low	25.6	Very low	73 Å²	73	137.5 Å²	137.5	75%	0.753	71%	0.712	S	S	*	*			cis	-172.8	-162.6	4.6	0	0	0	0	0	108.9
1799	R	27.2	Very low	25.6	Very low	221 Å²	221	138.8 Å²	138.8	83%	0.834	70%	0.701	S	S	*	*			cis	-166.4	143.5	6.1	-137.4	-178.6	-174.6	167.2	0.4	108.1
1800	T	24.2	Very low	25.4	Very low	110 Å²	110	135.8 Å²	135.8	68%	0.675	68%	0.683	S	S	*	*			trans	35	139.3	139	56.9	0	0	0	0	121
1801	L	24.9	Very low	25.8	Very low	143 Å²	143	133.8 Å²	133.8	75%	0.749	67%	0.672	S	S	*	*			cis	-144.9	149.7	20.5	-77.8	100.4	0	0	0	108.2
1802	T	24.1	Very low	25.9	Very low	117 Å²	117	133.4 Å²	133.4	72%	0.718	67%	0.67	S	S	*	*				52	132	68	76.6	0	0	0	0	113.5
1803	E	24.1	Very low	26.2	Very low	138 Å²	138	130.1 Å²	130.1	65%	0.645	67%	0.674	S	S	*	*			cis	-157.9	166.5	38	-71.7	-163.7	133.1	0	0	114.8
1804	K	22.2	Very low	26.6	Very low	163 Å²	163	124.6 Å²	124.6	71%	0.709	68%	0.675	S	S	*	*			trans	38.6	134.6	142.3	-57.6	159	-164.2	157.1	0	119.5
1805	S	25.9	Very low	26.7	Very low	99 Å²	99	123.3 Å²	123.3	69%	0.692	68%	0.683	S	S	*	*				-177.5	162.6	57.1	60.4	0	0	0	0	114.6
1806	N	27.3	Very low	26.9	Very low	129 Å²	129	122.8 Å²	122.8	69%	0.69	69%	0.691	S	S	*	*			trans	47.5	116.7	147.3	-64.8	-26.6	0	0	0	120.7
1807	R	25	Very low	26.9	Very low	222 Å²	222	121.6 Å²	121.6	84%	0.838	69%	0.693	S	S	*	*				66.9	132	81.3	-72.8	179.7	170.6	179.2	-2.5	113.2
1808	T	28	Very low	26.9	Very low	100 Å²	100	119.5 Å²	119.5	61%	0.613	69%	0.692	S	S	*	*			cis	-159.3	151.2	19.1	-11.8	0	0	0	0	112.7
1809	R	27.4	Very low	26.8	Very low	159 Å²	159	121.8 Å²	121.8	60%	0.6	69%	0.691	S	S	*	*			trans	33.7	125.1	145.6	-76.3	174.5	175.3	178.4	-5.5	117.9	A1574 F1578	A1574-R1809 HydrophobicContact CB-CB 4.17Å; F1578-R1809 WeakPolarHBondContact CD2-O 3.24Å; F1578-R1809 WeakPolarHBondContact CE2-O 3.28Å
1810	S	27.7	Very low	26.6	Very low	42 Å²	42	115.9 Å²	115.9	29%	0.294	68%	0.683	S	S	.	*			cis	177.4	172.7	46.9	49.9	0	0	0	0	114.4	A1574 V1575	A1574-S1810 WeakPolarHBondContact CA-OG 3.38Å; A1574-S1810 WeakPolarHBondContact CB-OG 3.33Å; A1574-S1810 PolarHBondContact O-OG 3.46Å; A1574-S1810 VanDerWaalsContact O-OG 3.07Å; V1575-S1810 PolarHBondContact N-OG 3.47Å
1811	P	34.4	Very low	26.5	Very low	74 Å²	74	117.1 Å²	117.1	48%	0.481	69%	0.691	S	S	.	*			trans	-117.7	171.9	-173.8	40.1	-26.9	0	0	0	115.2	I1571 V1575	I1571-P1811 HydrophobicContact CD1-CG 4.43Å; I1571-P1811 HydrophobicContact CG1-CG 4.23Å; I1571-P1811 HydrophobicContact CG2-CG 4.19Å; I1571-P1811 WeakPolarHBondContact CG2-O 3.45Å; V1575-P1811 VanDerWaalsContact CG2-C 3.44Å; V1575-P1811 WeakPolarHBondContact CG2-O 3.44Å
1812	H	29.3	Very low	26.5	Very low	123 Å²	123	117.8 Å²	117.8	57%	0.569	69%	0.694	S	S	*	*			trans	-153.6	149.5	142	-115.6	-61.9	0	0	0	109	I1571 V1575	I1571-H1812 VanDerWaalsContact CG2-CD2 3.46Å; I1571-H1812 WeakPolarHBondContact CG2-CD2 3.14Å; V1575-H1812 HydrophobicContact CG2-CB 4.48Å
1813	S	31.2	Very low	26.5	Very low	105 Å²	105	122.5 Å²	122.5	73%	0.734	70%	0.698	S	S	*	*			trans	22.5	117.2	161.8	54.3	0	0	0	0	118.1
1814	G	30.4	Very low	26.5	Very low	69 Å²	69	120.7 Å²	120.7	71%	0.711	70%	0.701	S	S	*	*			cis	135	110	17.6	0	0	0	0	0	107.1
1815	A	28.2	Very low	26.5	Very low	107 Å²	107	119.3 Å²	119.3	88%	0.884	70%	0.701	S	S	*	*				68	123.7	96.3	0	0	0	0	0	112.9
1816	A	27.7	Very low	26.5	Very low	101 Å²	101	116.7 Å²	116.7	84%	0.835	69%	0.69	S	S	*	*			cis	-128.1	102.5	11.6	0	0	0	0	0	113.2
1817	S	24.8	Very low	26.4	Very low	108 Å²	108	117.1 Å²	117.1	76%	0.755	69%	0.688	S	S	*	*			trans	-86	175.8	136.2	61.4	0	0	0	0	108.9
1818	S	24.8	Very low	26.5	Very low	107 Å²	107	109.7 Å²	109.7	75%	0.748	68%	0.68	S	S	*	*			trans	85.4	134.7	169.2	87.4	0	0	0	0	118.8
1819	V	23.5	Very low	26.5	Very low	121 Å²	121	112.1 Å²	112.1	73%	0.733	69%	0.689	S	S	*	*			trans	64.1	108.1	143.1	178	0	0	0	0	118.3
1820	S	22.8	Very low	26.4	Very low	97 Å²	97	110.5 Å²	110.5	68%	0.678	69%	0.693	S	S	*	*				-172.7	93.8	100.8	38.9	0	0	0	0	114.5
1821	T	22.7	Very low	26.3	Very low	135 Å²	135	115.2 Å²	115.2	83%	0.828	72%	0.715	S	S	*	*	S	Bend		-71	116.5	125.7	40.1	0	0	0	0	107.1
1822	I	25.6	Very low	25.9	Very low	158 Å²	158	115.7 Å²	115.7	81%	0.81	72%	0.72	S	S	*	*	S	Bend	trans	66.1	93.3	167.9	-47.2	167.5	0	0	0	115.5
1823	R	24.1	Very low	25.8	Very low	215 Å²	215	115.4 Å²	115.4	81%	0.811	72%	0.722	S	S	*	*				-155.9	122.1	128.2	-109.6	176.1	-169	-168	3.3	109.9
1824	S	23.7	Very low	25.4	Very low	101 Å²	101	113.5 Å²	113.5	71%	0.706	70%	0.701	S	S	*	*			trans	60.1	140.3	-172.5	19.6	0	0	0	0	114.5
1825	N	22.7	Very low	25.1	Very low	134 Å²	134	116.8 Å²	116.8	72%	0.717	69%	0.692	S	S	*	*			cis	49.1	68.1	-3.3	-112.8	38.6	0	0	0	115.6
1826	G	24.6	Very low	24.7	Very low	44 Å²	44	115 Å²	115	45%	0.454	67%	0.673	S	S	.	*			trans	147.2	136.7	175.9	0	0	0	0	0	111.1
1827	Q	26.6	Very low	24.4	Very low	137 Å²	137	115.5 Å²	115.5	64%	0.64	66%	0.662	S	S	*	*			cis	-162.5	108.9	-4.3	-174.8	148	21.4	0	0	110.5	D1549	D1549-Q1827 WeakPolarHBondContact OD1-CG 3.28Å; D1549-Q1827 VanDerWaalsContact OD2-CD 3.24Å; D1549-Q1827 VanDerWaalsContact OD2-CG 3.29Å; D1549-Q1827 WeakPolarHBondContact OD2-CG 2.77Å; D1549-Q1827 PolarHBondContact OD2-NE2 2.69Å
1828	G	26.8	Very low	24.2	Very low	66 Å²	66	112.6 Å²	112.6	68%	0.68	64%	0.641	S	S	*	*			trans	77.2	158.8	-179.3	0	0	0	0	0	115.1
1829	N	26.7	Very low	24.1	Very low	151 Å²	151	112.5 Å²	112.5	81%	0.807	64%	0.636	S	S	*	*			cis	-152.7	158.1	-3.1	-137.3	4.2	0	0	0	112.7
1830	N	26	Very low	24.1	Very low	125 Å²	125	114.8 Å²	114.8	67%	0.668	64%	0.636	S	S	*	*	S	Bend	trans	72.1	99.5	170.4	-53	-10	0	0	0	117.3
1831	N	26.6	Very low	24.1	Very low	142 Å²	142	116.5 Å²	116.5	76%	0.759	63%	0.634	S	S	*	*			trans	77.3	97.5	146.8	-53.4	-5.7	0	0	0	116.5
1832	S	25.3	Very low	24.1	Very low	83 Å²	83	120.2 Å²	120.2	58%	0.58	63%	0.633	S	S	*	*				78.8	133.5	75.3	70.3	0	0	0	0	114.2	E1834	S1832-E1834 WeakPolarHBondContact CA-OE2 3.09Å
1833	L	26.4	Very low	23.9	Very low	118 Å²	118	117.9 Å²	117.9	62%	0.618	63%	0.631	S	S	*	*			cis	-128.4	145	-0.1	-121.9	69.3	0	0	0	107.7	I1546	I1546-L1833 HydrophobicContact CG1-CD1 3.85Å
1834	E	23.5	Very low	23.9	Very low	65 Å²	65	114.5 Å²	114.5	30%	0.304	62%	0.624	S	S	.	*			cis	96.5	125.9	12.6	-54.9	168.2	117.7	0	0	116.6	S1545 I1546 N1547 S1832	S1545-E1834 CarbonylContact C-O 3.56Å; S1545-E1834 WeakPolarHBondContact CA-O 3.44Å; S1545-E1834 PolarHBondContact N-O 3.46Å; I1546-E1834 VanDerWaalsContact CA-OE2 3.31Å; I1546-E1834 WeakPolarHBondContact CA-OE2 3.13Å; I1546-E1834 PolarHBondContact N-OE2 2.69Å; N1547-E1834 WeakPolarHBondContact CA-OE1 3.5Å; N1547-E1834 WeakPolarHBondContact CB-OE1 3.49Å; N1547-E1834 VanDerWaalsContact N-CD 3.33Å; N1547-E1834 PolarHBondContact N-OE1 2.71Å; N1547-E1834 PolarHBondContact OD1-OE1 3.09Å; S1832-E1834 WeakPolarHBondContact CA-OE2 3.09Å
1835	R	23.7	Very low	24	Very low	137 Å²	137	117.6 Å²	117.6	52%	0.517	63%	0.627	S	S	.	*			trans	56.9	154	179.9	-85.9	-166	-104.7	146.3	5.7	116.4	E1543 N1544 S1545 I1546	E1543-R1835 CarbonylContact O-C 2.84Å; N1544-R1835 WeakPolarHBondContact O-CB 3.45Å; N1544-R1835 WeakPolarHBondContact O-CD 3.45Å; N1544-R1835 PolarHBondContact O-NH1 3.37Å; S1545-R1835 VanDerWaalsContact O-CB 3.23Å; S1545-R1835 WeakPolarHBondContact O-CB 3.29Å; S1545-R1835 WeakPolarHBondContact O-CD 3.36Å; S1545-R1835 WeakPolarHBondContact O-CG 3.17Å; S1545-R1835 PolarHBondContact O-NE 2.76Å; S1545-R1835 PolarHBondContact O-NH2 2.82Å; S1545-R1835 PolarHBondContact OG-NH1 3.23Å; S1545-R1835 VanDerWaalsContact OG-NH1 3.11Å; S1545-R1835 PolarHBondContact OG-NH2 2.81Å; I1546-R1835 PolarHBondContact O-NH2 2.88Å
1836	S	20.7	Very low	24.1	Very low	70 Å²	70	115.2 Å²	115.2	49%	0.49	62%	0.621	S	S	.	*			cis	73.6	111.9	12.4	85.2	0	0	0	0	120.7	E1543	E1543-S1836 CarbonylContact O-C 3.46Å; E1543-S1836 WeakPolarHBondContact O-CA 3.29Å; E1543-S1836 PolarHBondContact O-N 3.38Å
1837	L	20.2	Very low	24	Very low	112 Å²	112	120.1 Å²	120.1	59%	0.586	64%	0.636	S	S	*	*			trans	71.7	156.5	176.5	-57.2	106.1	0	0	0	118.4	S1542 E1543	S1542-L1837 PolarHBondContact O-N 2.73Å; E1543-L1837 CarbonylContact C-O 3.57Å; E1543-L1837 VanDerWaalsContact CB-C 3.46Å; E1543-L1837 WeakPolarHBondContact CB-O 2.97Å; E1543-L1837 VanDerWaalsContact N-N 3.12Å; E1543-L1837 PolarHBondContact O-N 3.16Å; E1543-L1837 VanDerWaalsContact O-O 3.06Å
1838	S	22	Very low	24	Very low	47 Å²	47	120.7 Å²	120.7	33%	0.329	64%	0.643	S	S	.	*			trans	94.3	84.7	146	64.4	0	0	0	0	120.4	N1544	N1544-S1838 PolarHBondContact ND2-O 3.34Å
1839	T	21.7	Very low	23.9	Very low	105 Å²	105	125.4 Å²	125.4	64%	0.644	65%	0.652	S	S	*	*				-5.8	138.9	116.7	48.6	0	0	0	0	116.1	E1543	E1543-T1839 PolarHBondContact OE2-N 2.93Å
1840	F	23.2	Very low	24	Very low	168 Å²	168	121.2 Å²	121.2	74%	0.737	64%	0.644	S	S	*	*			trans	65	102.7	162.7	-86.3	-114.1	0	0	0	115.5
1841	Q	22.6	Very low	24	Very low	133 Å²	133	122 Å²	122	62%	0.621	65%	0.649	S	S	*	*				90.8	119.4	89	-84.8	-166.2	12.9	0	0	115.7
1842	R	23	Very low	24	Very low	213 Å²	213	123 Å²	123	80%	0.804	64%	0.643	S	S	*	*			trans	69.5	107.6	138.4	-64.4	176.4	169.9	-172.2	-3.2	121.2
1843	S	22.4	Very low	23.9	Very low	110 Å²	110	128.9 Å²	128.9	77%	0.769	65%	0.652	S	S	*	*				-146	145.4	121	75	0	0	0	0	107.3
1844	H	23.9	Very low	24	Very low	144 Å²	144	131 Å²	131	67%	0.667	66%	0.659	S	S	*	*				51.2	99.3	55.4	-68.1	-89.7	0	0	0	110.7
1845	H	25.1	Very low	24.1	Very low	166 Å²	166	134 Å²	134	77%	0.769	68%	0.676	S	S	*	*				-176.3	154.2	73.8	-103.8	-84.3	0	0	0	112.8
1846	S	24.4	Very low	24.4	Very low	84 Å²	84	130.7 Å²	130.7	59%	0.587	69%	0.685	S	S	*	*			trans	37.4	137.7	142.4	71	0	0	0	0	123.4
1847	N	24.4	Very low	25	Very low	146 Å²	146	130.6 Å²	130.6	78%	0.781	70%	0.695	S	S	*	*			trans	68.1	134.9	144.1	-57.2	-7.1	0	0	0	117.2
1848	L	26	Very low	25.3	Very low	149 Å²	149	128.4 Å²	128.4	78%	0.78	70%	0.699	S	S	*	*			cis	-144	167.9	6.6	-71.3	95.6	0	0	0	111.1
1849	L	25.2	Very low	26	Very low	165 Å²	165	135.2 Å²	135.2	86%	0.864	73%	0.73	S	S	*	*			trans	35.1	137.1	147.6	-90.8	67.5	0	0	0	122
1850	G	27.9	Very low	26.2	Very low	64 Å²	64	133.3 Å²	133.3	66%	0.66	72%	0.719	S	S	*	*			trans	98.5	101.8	161.8	0	0	0	0	0	113
1851	D	25.9	Very low	26.6	Very low	142 Å²	142	132.1 Å²	132.1	76%	0.759	72%	0.72	S	S	*	*				77.2	112.5	69	-71.5	19.5	0	0	0	112
1852	Y	26.5	Very low	26.9	Very low	162 Å²	162	131.4 Å²	131.4	64%	0.635	73%	0.726	S	S	*	*			cis	-136.5	127	-12.2	-112.9	-94.1	0	0	0	109.6
1853	R	23.1	Very low	27.1	Very low	207 Å²	207	128.4 Å²	128.4	78%	0.781	73%	0.726	S	S	*	*			trans	-68.8	140	149.2	-67.9	172	172.3	173.5	-4.2	107.3	L1855	R1853-L1855 HydrophobicContact CB-CD1 4.46Å
1854	H	28.1	Very low	27.5	Very low	163 Å²	163	126.8 Å²	126.8	76%	0.755	73%	0.727	S	S	*	*				177.6	121.9	119.7	-93.2	-74.7	0	0	0	106.7
1855	L	26.8	Very low	27.8	Very low	128 Å²	128	123.3 Å²	123.3	67%	0.67	73%	0.73	S	S	*	*			cis	65.9	111.8	49.8	-65.2	161	0	0	0	113.4	R1853	R1853-L1855 HydrophobicContact CB-CD1 4.46Å
1856	G	30.1	Very low	28.4	Very low	67 Å²	67	123.8 Å²	123.8	69%	0.691	74%	0.737	S	S	*	*			trans	89	145.2	164.3	0	0	0	0	0	114.6	T1860	G1856-T1860 VanDerWaalsContact C-OG1 3.27Å; G1856-T1860 WeakPolarHBondContact CA-OG1 3.33Å
1857	G	32.6	Very low	28.9	Very low	68 Å²	68	122.8 Å²	122.8	70%	0.701	74%	0.74	S	S	*	*	S	Bend	cis	-177.6	143	-9.7	0	0	0	0	0	111	T1860	G1857-T1860 WeakPolarHBondContact CA-OG1 3.43Å; G1857-T1860 PolarHBondContact N-OG1 2.89Å
1858	G	26.8	Very low	29.1	Very low	65 Å²	65	123.1 Å²	123.1	67%	0.67	74%	0.741	S	S	*	*	S	Bend	cis	-143.7	164.6	-6.2	0	0	0	0	0	110.7
1859	L	36.8	Very low	29.4	Very low	190 Å²	190	124.2 Å²	124.2	100%	0.995	75%	0.748	S	S	*	*	S	Bend	cis	-97.4	83.3	-4.4	-65.9	167.5	0	0	0	108.1
1860	T	26.6	Very low	29.4	Very low	65 Å²	65	123.5 Å²	123.5	40%	0.399	74%	0.744	S	S	.	*			trans	-86.2	144.1	-154	48.4	0	0	0	0	114.5	G1856 G1857 P1862	G1856-T1860 VanDerWaalsContact C-OG1 3.27Å; G1856-T1860 WeakPolarHBondContact CA-OG1 3.33Å; G1857-T1860 WeakPolarHBondContact CA-OG1 3.43Å; G1857-T1860 PolarHBondContact N-OG1 2.89Å; T1860-P1862 WeakPolarHBondContact O-CD 3.49Å
1861	L	30.8	Very low	29.6	Very low	144 Å²	144	127.8 Å²	127.8	75%	0.754	75%	0.749	S	S	*	*			trans	-43.5	137	178.9	-65.8	72.4	0	0	0	113.7
1862	P	27.9	Very low	29.5	Very low	118 Å²	118	124.8 Å²	124.8	77%	0.766	74%	0.74	S	S	*	*				-122.3	119.1	126.2	33.5	-28.4	0	0	0	111.9	T1860	T1860-P1862 WeakPolarHBondContact O-CD 3.49Å
1863	N	27.5	Very low	29.4	Very low	150 Å²	150	119.1 Å²	119.1	80%	0.802	72%	0.719	S	S	*	*			trans	-66.9	156.5	151.5	-71.9	-48.7	0	0	0	109
1864	G	31.6	Very low	29.6	Very low	75 Å²	75	110.9 Å²	110.9	77%	0.773	69%	0.693	S	S	*	*			trans	161.9	42.5	165.8	0	0	0	0	0	120
1865	G	29	Very low	29.7	Very low	72 Å²	72	105.1 Å²	105.1	74%	0.742	67%	0.67	S	S	*	*			trans	71.2	173.3	175	0	0	0	0	0	114.6
1866	L	39.2	Very low	29.8	Very low	175 Å²	175	102.9 Å²	102.9	92%	0.916	66%	0.656	S	S	*	*			cis	-134.4	148.5	-19.1	-66.4	94.5	0	0	0	106.2
1867	G	34.2	Very low	29.8	Very low	63 Å²	63	104.1 Å²	104.1	65%	0.649	64%	0.644	S	S	*	*			cis	105.6	118.8	17.5	0	0	0	0	0	110.1
1868	L	27.7	Very low	29.7	Very low	153 Å²	153	108 Å²	108	80%	0.801	65%	0.649	S	S	*	*			cis	-141.9	140.6	-3.9	-58.4	88.5	0	0	0	109.8
1869	N	34.1	Very low	30.1	Very low	172 Å²	172	108.1 Å²	108.1	92%	0.92	65%	0.65	S	S	*	*			trans	-171.2	135.8	158.5	-93.2	-46.1	0	0	0	107.9
1870	I	24.2	Very low	29.7	Very low	151 Å²	151	104.9 Å²	104.9	77%	0.774	63%	0.629	S	S	*	*			trans	-132.4	97.1	-153.1	-50.9	173.8	0	0	0	112.3
1871	I	31.2	Very low	29.7	Very low	153 Å²	153	106 Å²	106	79%	0.785	63%	0.632	S	S	*	*			trans	-148.6	124.5	178.4	-54.4	-179.7	0	0	0	112.9
1872	S	24.5	Very low	29.8	Very low	79 Å²	79	106.7 Å²	106.7	55%	0.552	63%	0.63	S	S	*	*			trans	-153.7	131.7	165.7	51.2	0	0	0	0	108.2
1873	Q	24.9	Very low	30	Very low	43 Å²	43	108 Å²	108	20%	0.201	63%	0.629	C	S	.	*			cis	99	79.3	28.6	-74.9	-143.7	-27.4	0	0	116.3	G728 H1708 I1709	G728-Q1873 CarbonylContact C-O 3.59Å; G728-Q1873 WeakPolarHBondContact CA-O 3.21Å; G728-Q1873 CarbonylContact O-C 3.57Å; H1708-Q1873 PolarHBondContact CE1-NE2 3.06Å; H1708-Q1873 PolarHBondContact NE2-NE2 2.94Å; I1709-Q1873 HydrophobicContact CD1-CB 4.19Å; I1709-Q1873 HydrophobicContact CD1-CG 3.9Å
1874	S	27	Very low	29.7	Very low	35 Å²	35	105.5 Å²	105.5	25%	0.245	62%	0.623	C	S	.	*			trans	-62.7	169.4	165.3	41.4	0	0	0	0	114.5	I1709 E1710	I1709-S1874 WeakPolarHBondContact CG2-O 3.37Å; I1709-S1874 WeakPolarHBondContact CG2-OG 3.22Å; E1710-S1874 PolarHBondContact O-OG 2.79Å
1875	P	29.3	Very low	29.3	Very low	41 Å²	41	108.6 Å²	108.6	27%	0.266	62%	0.622	S	S	.	*				-152.1	176	99.5	38.8	-19.8	0	0	0	116.8	I1709 F1711	I1709-P1875 HydrophobicContact CG2-CB 4.41Å; F1711-P1875 HydrophobicContact CE2-CB 3.82Å
1876	Q	29.8	Very low	29.2	Very low	82 Å²	82	109.4 Å²	109.4	38%	0.383	61%	0.612	S	S	.	*			trans	-122.9	-178.5	-178.8	-56.2	-179	-10.5	0	0	115.5	F1711 T1712	F1711-Q1876 HydrophobicContact CB-CB 4.34Å; F1711-Q1876 HydrophobicContact CB-CG 3.78Å; F1711-Q1876 VanDerWaalsContact CB-OE1 3.27Å; F1711-Q1876 HydrophobicContact CD1-CB 3.93Å; F1711-Q1876 HydrophobicContact CD1-CG 4.32Å; F1711-Q1876 HydrophobicContact CD2-CB 3.6Å; F1711-Q1876 HydrophobicContact CD2-CG 3.66Å; F1711-Q1876 VanDerWaalsContact CD2-N 3.33Å; F1711-Q1876 HydrophobicContact CE1-CB 4.14Å; F1711-Q1876 HydrophobicContact CE2-CB 3.88Å; F1711-Q1876 HydrophobicContact CE2-CG 4.41Å; F1711-Q1876 HydrophobicContact CG-CB 3.69Å; F1711-Q1876 HydrophobicContact CG-CG 3.66Å; F1711-Q1876 HydrophobicContact CZ-CB 4.13Å; F1711-Q1876 WeakPolarHBondContact CZ-O 3.17Å; T1712-Q1876 PolarHBondContact O-NE2 2.78Å; T1712-Q1876 PolarHBondContact O-OE1 3.35Å
1877	Q	30.5	Very low	28.5	Very low	93 Å²	93	105.6 Å²	105.6	44%	0.435	59%	0.586	S	S	.	*			trans	85.5	128.4	142	-84.4	179.9	34.7	0	0	123.2	F1711 T1712	F1711-Q1877 HydrophobicContact CD1-CB 4.42Å; F1711-Q1877 HydrophobicContact CD1-CG 4.19Å; F1711-Q1877 HydrophobicContact CE1-CB 3.89Å; F1711-Q1877 HydrophobicContact CE1-CG 4.16Å; F1711-Q1877 HydrophobicContact CZ-CB 4.48Å; T1712-Q1877 PolarHBondContact OG1-NE2 2.8Å
1878	N	29.9	Very low	28.1	Very low	150 Å²	150	108.7 Å²	108.7	80%	0.802	59%	0.592	S	S	*	*				-176.7	151.8	116.8	-106	-75.2	0	0	0	115.6
1879	G	34.6	Very low	27.8	Very low	66 Å²	66	105.8 Å²	105.8	68%	0.68	59%	0.585	S	S	*	*			trans	121	115.9	170.9	0	0	0	0	0	113.5
1880	Q	28.7	Very low	27.4	Very low	122 Å²	122	100 Å²	100	57%	0.57	57%	0.565	S	S	*	*			cis	86.3	137.9	40.2	-69.3	-159.8	31.6	0	0	115.6	Y2094	Q1880-Y2094 VanDerWaalsContact NE2-CE1 3.33Å
1881	L	28.2	Very low	27.5	Very low	88 Å²	88	97.9 Å²	97.9	46%	0.461	56%	0.556	S	S	.	*			cis	-170.8	-163.9	-23.9	-154.4	104.8	0	0	0	109.2
1882	F	31.9	Very low	27	Very low	159 Å²	159	95.7 Å²	95.7	70%	0.697	54%	0.538	S	S	*	.			trans	74.9	136.6	165.8	-45.2	-72.5	0	0	0	114.9
1883	I	32.4	Very low	27.1	Very low	147 Å²	147	96.9 Å²	96.9	75%	0.754	54%	0.537	S	S	*	.			cis	-147.1	166.6	-9.6	18.6	172.8	0	0	0	107.1
1884	S	21.4	Very low	27	Very low	96 Å²	96	101.2 Å²	101.2	67%	0.671	56%	0.557	S	S	*	*	S	Bend	cis	-154.6	161.8	9.1	32.9	0	0	0	0	108.8
1885	N	22.7	Very low	26.9	Very low	141 Å²	141	106 Å²	106	75%	0.754	58%	0.58	S	S	*	*			cis	-133.8	151.3	1.8	-116.7	-1.1	0	0	0	110
1886	T	26.2	Very low	26.8	Very low	88 Å²	88	107.2 Å²	107.2	54%	0.54	60%	0.599	S	S	.	*			trans	-125.1	147.2	-159.1	59.6	0	0	0	0	114.1
1887	R	25	Very low	26.6	Very low	96 Å²	96	108.5 Å²	108.5	36%	0.362	61%	0.607	S	S	.	*			trans	57.6	148	150.8	-68.6	174.5	177.5	-175.5	0	118.9	S1889 Y1921 Y2094	R1887-S1889 PolarHBondContact O-N 2.98Å; R1887-S1889 VanDerWaalsContact O-N 3.13Å; R1887-Y1921 WeakPolarHBondContact O-CE1 3.39Å; R1887-Y1921 VanDerWaalsContact O-CZ 3.24Å; R1887-Y1921 PolarHBondContact O-OH 2.83Å; R1887-Y2094 VanDerWaalsContact NH2-CA 3.34Å
1888	T	25	Very low	26.2	Very low	127 Å²	127	106.9 Å²	106.9	78%	0.779	60%	0.603	S	S	*	*	S	Bend	trans	-63.8	102.5	140.3	28	0	0	0	0	110.9	Y1921	T1888-Y1921 HydrophobicContact CG2-CD2 4.21Å; T1888-Y1921 HydrophobicContact CG2-CE2 3.86Å
1889	S	22.3	Very low	26	Very low	92 Å²	92	101.6 Å²	101.6	64%	0.643	58%	0.576	S	S	*	*	S	Bend	trans	-156.4	84.6	145.7	58.8	0	0	0	0	108.6	R1887 Y1921	R1887-S1889 PolarHBondContact O-N 2.98Å; R1887-S1889 VanDerWaalsContact O-N 3.13Å; S1889-Y1921 VanDerWaalsContact C-OH 3.24Å; S1889-Y1921 PolarHBondContact N-OH 2.88Å
1890	G	25.1	Very low	25.6	Very low	50 Å²	50	101.9 Å²	101.9	52%	0.515	57%	0.568	S	S	.	*			trans	80.8	95.3	-177.8	0	0	0	0	0	113.4	Y1921	G1890-Y1921 PolarHBondContact N-OH 2.76Å; G1890-Y1921 PolarHBondContact O-OH 2.74Å
1891	N	26.1	Very low	25.4	Very low	108 Å²	108	103.1 Å²	103.1	58%	0.578	57%	0.572	S	S	*	*				96.8	145.7	70.9	-90.7	3.7	0	0	0	112.6	Y1921	N1891-Y1921 VanDerWaalsContact N-CZ 3.27Å; N1891-Y1921 PolarHBondContact N-OH 3.24Å; N1891-Y1921 VanDerWaalsContact N-OH 3.17Å
1892	W	22.4	Very low	25.4	Very low	107 Å²	107	106.1 Å²	106.1	41%	0.405	58%	0.583	S	S	.	*			trans	97	135.2	137.9	-82.4	24.8	0	0	0	123.4	T2014 I2015	W1892-T2014 VanDerWaalsContact CH2-C 3.43Å; W1892-I2015 VanDerWaalsContact CZ3-CA 3.48Å; W1892-I2015 VanDerWaalsContact CZ3-O 3.29Å; W1892-I2015 WeakPolarHBondContact CZ3-O 3.35Å
1893	I	24.9	Very low	25.1	Very low	104 Å²	104	102 Å²	102	53%	0.533	59%	0.586	S	S	.	*			trans	77.8	99.3	150.9	-67.2	166.7	0	0	0	116.5
1894	Q	23.8	Very low	24.8	Very low	134 Å²	134	98.3 Å²	98.3	63%	0.626	58%	0.584	S	S	*	*				70.2	132.5	70.9	-158.3	-161.6	67.9	0	0	115.6
1895	N	24.8	Very low	25.2	Very low	136 Å²	136	102 Å²	102	73%	0.727	60%	0.596	S	S	*	*			trans	72.4	130.1	174.3	-42.4	-65.3	0	0	0	115.1
1896	G	26.4	Very low	25.6	Very low	65 Å²	65	99.4 Å²	99.4	67%	0.67	59%	0.594	S	S	*	*			cis	139.9	165.9	5.8	0	0	0	0	0	110.4
1897	M	25.6	Very low	25.8	Very low	110 Å²	110	101 Å²	101	54%	0.542	61%	0.606	S	S	.	*			trans	69.6	141.5	170.6	-50.6	-172.5	-167.4	0	0	116.8	N1934	M1897-N1934 PolarHBondContact SD-N 3.13Å; M1897-N1934 VanDerWaalsContact SD-N 3.41Å
1898	T	23.8	Very low	25.8	Very low	58 Å²	58	101 Å²	101	36%	0.356	62%	0.621	S	S	.	*			cis	-164.4	170.5	-15.9	20.4	0	0	0	0	108.1	I1928 S1932	T1898-I1928 VanDerWaalsContact O-CA 3.24Å; T1898-I1928 WeakPolarHBondContact O-CA 3.28Å; T1898-I1928 WeakPolarHBondContact O-CB 3.18Å; T1898-I1928 WeakPolarHBondContact O-CG1 3.21Å; T1898-I1928 WeakPolarHBondContact O-CG2 3.07Å; T1898-S1932 VanDerWaalsContact CB-O 3.28Å; T1898-S1932 WeakPolarHBondContact CB-O 3.22Å; T1898-S1932 PolarHBondContact OG1-O 3.45Å
1899	T	25.1	Very low	25.9	Very low	39 Å²	39	104.7 Å²	104.7	24%	0.239	62%	0.621	C	S	.	*			trans	63.4	113.5	167.5	61.2	0	0	0	0	116.6	I1928 A1929 N1931	T1899-I1928 CarbonylContact O-C 3.49Å; T1899-I1928 VanDerWaalsContact O-CA 3.26Å; T1899-I1928 WeakPolarHBondContact O-CA 3.39Å; T1899-I1928 PolarHBondContact O-N 3.08Å; T1899-A1929 VanDerWaalsContact CB-CB 3.49Å; T1899-A1929 PolarHBondContact O-N 3.5Å; T1899-A1929 VanDerWaalsContact O-N 3.13Å; T1899-A1929 WeakPolarHBondContact OG1-CB 3.46Å; T1899-A1929 PolarHBondContact OG1-N 3.38Å; T1899-N1931 VanDerWaalsContact CG2-O 3.24Å; T1899-N1931 WeakPolarHBondContact CG2-O 3.19Å; T1899-N1931 PolarHBondContact OG1-O 2.86Å
1900	S	26.2	Very low	26	Very low	73 Å²	73	109.6 Å²	109.6	51%	0.51	63%	0.63	S	S	.	*				75.3	171.8	66.9	81.5	0	0	0	0	112.2	A1929	S1900-A1929 WeakPolarHBondContact O-CB 3.46Å
1901	F	25.1	Very low	26.1	Very low	148 Å²	148	113 Å²	113	65%	0.649	63%	0.633	S	S	*	*			cis	-126.6	149.3	17.7	-88.1	-109.8	0	0	0	110.2	A1929	F1901-A1929 HydrophobicContact CD2-CB 3.67Å; F1901-A1929 HydrophobicContact CE2-CB 4.05Å
1902	H	26.8	Very low	26	Very low	151 Å²	151	117.9 Å²	117.9	70%	0.699	64%	0.644	S	S	*	*			cis	-169.4	149.8	-13.4	-139.2	-103.3	0	0	0	109.5
1903	G	25.7	Very low	26.1	Very low	73 Å²	73	118.5 Å²	118.5	75%	0.753	66%	0.66	S	S	*	*			trans	72.8	122	161.9	0	0	0	0	0	116.6
1904	G	26.4	Very low	26.4	Very low	68 Å²	68	120.7 Å²	120.7	70%	0.701	67%	0.673	S	S	*	*			cis	115.3	125	-4.6	0	0	0	0	0	113.6
1905	N	29.2	Very low	26.9	Very low	173 Å²	173	118.5 Å²	118.5	93%	0.925	67%	0.67	S	S	*	*			trans	-173.5	127	135.2	-92.5	-26	0	0	0	110.4
1906	A	31.5	Very low	27.2	Very low	88 Å²	88	118.6 Å²	118.6	73%	0.727	67%	0.666	S	S	*	*			trans	-87.1	-164.6	165.3	0	0	0	0	0	108.7
1907	P	30.7	Very low	27.5	Very low	120 Å²	120	117.6 Å²	117.6	78%	0.779	66%	0.655	S	S	*	*			cis	-126.8	-160	14.3	47.3	-30.7	0	0	0	111.6
1908	S	25.9	Very low	27.9	Very low	98 Å²	98	115.7 Å²	115.7	69%	0.685	65%	0.653	S	S	*	*			cis	-158.1	139.9	2.9	39.4	0	0	0	0	107
1909	W	25.6	Very low	28.1	Very low	203 Å²	203	118.2 Å²	118.2	77%	0.769	66%	0.664	S	S	*	*			cis	79.1	111.2	41.3	-82.2	66.8	0	0	0	117.2	H1911	W1909-H1911 AromaticContact CE3-CE1 3.53Å; W1909-H1911 AromaticContact CE3-NE2 3.86Å; W1909-H1911 AromaticContact CZ3-CE1 3.34Å; W1909-H1911 WeakPolarHBondContact CZ3-CE1 3.33Å; W1909-H1911 AromaticContact CZ3-NE2 3.37Å; W1909-H1911 WeakPolarHBondContact CZ3-NE2 3.45Å
1910	K	24.5	Very low	28.4	Very low	195 Å²	195	123.1 Å²	123.1	85%	0.848	68%	0.684	S	S	*	*			trans	154.8	154	130.4	-85.8	172.3	178.8	-176.1	0	112.8
1911	H	27.4	Very low	28.7	Very low	123 Å²	123	124 Å²	124	57%	0.569	68%	0.677	S	S	*	*			cis	-176.5	178.2	-42.4	-118.8	34.6	0	0	0	112.4	W1909	W1909-H1911 AromaticContact CE3-CE1 3.53Å; W1909-H1911 AromaticContact CE3-NE2 3.86Å; W1909-H1911 AromaticContact CZ3-CE1 3.34Å; W1909-H1911 WeakPolarHBondContact CZ3-CE1 3.33Å; W1909-H1911 AromaticContact CZ3-NE2 3.37Å; W1909-H1911 WeakPolarHBondContact CZ3-NE2 3.45Å
1912	Y	24.2	Very low	28.7	Very low	209 Å²	209	122.3 Å²	122.3	82%	0.82	68%	0.679	S	S	*	*			trans	82	137.9	167.8	-65.4	-66.2	0	0	0	117.9
1913	V	25.4	Very low	28.9	Very low	121 Å²	121	119.4 Å²	119.4	73%	0.733	68%	0.681	S	S	*	*			cis	-140.8	134.1	-9.7	-154.9	0	0	0	0	105.8
1914	N	29.5	Very low	28.9	Very low	149 Å²	149	121.5 Å²	121.5	80%	0.797	68%	0.684	S	S	*	*				62.2	152.1	61.5	-118.3	14.3	0	0	0	115.2
1915	P	34.9	Very low	29	Very low	88 Å²	88	121 Å²	121	57%	0.571	68%	0.679	S	S	*	*			cis	-141.1	-179.8	7.3	34.2	-10.1	0	0	0	118.8
1916	H	31.8	Very low	29.3	Very low	139 Å²	139	119 Å²	119	64%	0.644	66%	0.664	S	S	*	*			trans	66.4	126.8	168.6	-48.9	-71.9	0	0	0	118.1	S2010	H1916-S2010 PolarHBondContact O-OG 2.84Å
1917	G	33.1	Very low	29.2	Very low	43 Å²	43	122.1 Å²	122.1	44%	0.443	66%	0.664	S	S	.	*			cis	163.2	-179.5	10.8	0	0	0	0	0	107.7	S2010	G1917-S2010 PolarHBondContact N-OG 2.67Å; G1917-S2010 VanDerWaalsContact O-CB 3.28Å; G1917-S2010 WeakPolarHBondContact O-CB 3.32Å
1918	S	33.8	Very low	29.2	Very low	70 Å²	70	121 Å²	121	49%	0.49	65%	0.65	S	S	.	*			cis	-167.6	176.4	-11.9	51	0	0	0	0	109
1919	D	28	Very low	29.2	Very low	112 Å²	112	117.9 Å²	117.9	60%	0.599	63%	0.63	S	S	*	*			trans	61.5	114.9	160.3	-41.3	-54.8	0	0	0	118.8
1920	E	31.8	Very low	29	Very low	141 Å²	141	113.4 Å²	113.4	66%	0.659	61%	0.613	S	S	*	*			cis	89.7	123.7	38.5	-66.6	-156.9	139.3	0	0	116.4
1921	Y	32.2	Very low	28.9	Very low	92 Å²	92	110 Å²	110	36%	0.361	60%	0.604	S	S	.	*			trans	-158.2	95	168.1	-115	-80.5	0	0	0	113.2	R1887 T1888 S1889 G1890 N1891	R1887-Y1921 WeakPolarHBondContact O-CE1 3.39Å; R1887-Y1921 VanDerWaalsContact O-CZ 3.24Å; R1887-Y1921 PolarHBondContact O-OH 2.83Å; T1888-Y1921 HydrophobicContact CG2-CD2 4.21Å; T1888-Y1921 HydrophobicContact CG2-CE2 3.86Å; S1889-Y1921 VanDerWaalsContact C-OH 3.24Å; S1889-Y1921 PolarHBondContact N-OH 2.88Å; G1890-Y1921 PolarHBondContact N-OH 2.76Å; G1890-Y1921 PolarHBondContact O-OH 2.74Å; N1891-Y1921 VanDerWaalsContact N-CZ 3.27Å; N1891-Y1921 PolarHBondContact N-OH 3.24Å; N1891-Y1921 VanDerWaalsContact N-OH 3.17Å
1922	T	24.8	Very low	28.8	Very low	113 Å²	113	107 Å²	107	69%	0.693	60%	0.598	S	S	*	*			trans	64.5	150.8	143.8	61.9	0	0	0	0	123.2
1923	A	29.7	Very low	28.8	Very low	90 Å²	90	105.9 Å²	105.9	74%	0.744	59%	0.593	S	S	*	*			trans	66.1	85.6	168.9	0	0	0	0	0	116.6
1924	S	26.5	Very low	28.9	Very low	116 Å²	116	105.6 Å²	105.6	81%	0.811	59%	0.588	S	S	*	*			cis	87.7	92.9	21.8	91.7	0	0	0	0	117.6
1925	G	28.6	Very low	28.8	Very low	57 Å²	57	102.6 Å²	102.6	59%	0.588	58%	0.578	S	S	*	*			trans	138.8	99.2	135.4	0	0	0	0	0	118.5
1926	Q	35.6	Very low	28.3	Very low	133 Å²	133	108.5 Å²	108.5	62%	0.621	60%	0.595	S	S	*	*				-171.1	137.6	116.7	-106.5	-179.9	10.9	0	0	114.7
1927	Q	29.7	Very low	28.1	Very low	152 Å²	152	104.7 Å²	104.7	71%	0.71	59%	0.593	S	S	*	*			trans	49.2	123.8	146.3	-71.6	-179.5	-3.3	0	0	120.7
1928	I	31.3	Very low	27.7	Very low	96 Å²	96	110.6 Å²	110.6	49%	0.492	61%	0.61	S	S	.	*			cis	74.1	118.3	30.7	-42	176.6	0	0	0	114.1	T1898 T1899	T1898-I1928 VanDerWaalsContact O-CA 3.24Å; T1898-I1928 WeakPolarHBondContact O-CA 3.28Å; T1898-I1928 WeakPolarHBondContact O-CB 3.18Å; T1898-I1928 WeakPolarHBondContact O-CG1 3.21Å; T1898-I1928 WeakPolarHBondContact O-CG2 3.07Å; T1899-I1928 CarbonylContact O-C 3.49Å; T1899-I1928 VanDerWaalsContact O-CA 3.26Å; T1899-I1928 WeakPolarHBondContact O-CA 3.39Å; T1899-I1928 PolarHBondContact O-N 3.08Å
1929	A	25.4	Very low	27.1	Very low	33 Å²	33	115.1 Å²	115.1	27%	0.273	62%	0.623	S	S	.	*			trans	-92.4	-161.7	-176.8	0	0	0	0	0	113.2	T1899 S1900 F1901 N1931	T1899-A1929 VanDerWaalsContact CB-CB 3.49Å; T1899-A1929 PolarHBondContact O-N 3.5Å; T1899-A1929 VanDerWaalsContact O-N 3.13Å; T1899-A1929 WeakPolarHBondContact OG1-CB 3.46Å; T1899-A1929 PolarHBondContact OG1-N 3.38Å; S1900-A1929 WeakPolarHBondContact O-CB 3.46Å; F1901-A1929 HydrophobicContact CD2-CB 3.67Å; F1901-A1929 HydrophobicContact CE2-CB 4.05Å; A1929-N1931 PolarHBondContact O-N 2.73Å
1930	R	20.1	Very low	26.8	Very low	109 Å²	109	114.5 Å²	114.5	41%	0.411	63%	0.628	S	S	.	*	S	Bend	trans	-51.8	122.5	149.3	-69.9	-165.5	-163.7	114.3	7.4	110.4	H2027 I2028	R1930-H2027 PolarHBondContact NE-O 2.9Å; R1930-H2027 PolarHBondContact NH2-O 3.32Å; R1930-I2028 VanDerWaalsContact NH2-C 3.33Å
1931	N	23.7	Very low	26.3	Very low	123 Å²	123	113.2 Å²	113.2	66%	0.658	63%	0.629	S	S	*	*			trans	72.7	155.4	154.1	-58.9	-4.1	0	0	0	118.3	T1899 A1929	T1899-N1931 VanDerWaalsContact CG2-O 3.24Å; T1899-N1931 WeakPolarHBondContact CG2-O 3.19Å; T1899-N1931 PolarHBondContact OG1-O 2.86Å; A1929-N1931 PolarHBondContact O-N 2.73Å
1932	S	25.2	Very low	25.9	Very low	62 Å²	62	113.1 Å²	113.1	43%	0.434	64%	0.642	S	S	.	*			trans	64.8	92.7	160	31.9	0	0	0	0	115	T1898	T1898-S1932 VanDerWaalsContact CB-O 3.28Å; T1898-S1932 WeakPolarHBondContact CB-O 3.22Å; T1898-S1932 PolarHBondContact OG1-O 3.45Å
1933	Y	23.9	Very low	25.9	Very low	185 Å²	185	115.3 Å²	115.3	73%	0.725	64%	0.644	S	S	*	*				61	130.5	64.3	-68.8	-67.8	0	0	0	112.6
1934	N	27.1	Very low	25.6	Very low	115 Å²	115	118.1 Å²	118.1	62%	0.615	65%	0.646	S	S	*	*			trans	67.6	158.9	133.4	-64.5	5.3	0	0	0	116.7	M1897	M1897-N1934 PolarHBondContact SD-N 3.13Å; M1897-N1934 VanDerWaalsContact SD-N 3.41Å
1935	S	28	Very low	25.5	Very low	85 Å²	85	117.8 Å²	117.8	59%	0.594	64%	0.638	S	S	*	*			cis	-152.1	154.2	-7	27.9	0	0	0	0	107.5
1936	F	24	Very low	25.3	Very low	212 Å²	212	121.1 Å²	121.1	93%	0.93	64%	0.643	S	S	*	*				32.2	101.3	91.7	-78.5	-89.5	0	0	0	113.3
1937	G	28.1	Very low	24.8	Very low	59 Å²	59	119.1 Å²	119.1	61%	0.608	64%	0.643	S	S	*	*			trans	167.5	80.5	-174.1	0	0	0	0	0	106.5
1938	Q	24	Very low	24.5	Very low	168 Å²	168	120.1 Å²	120.1	79%	0.785	65%	0.646	S	S	*	*				67.9	121.9	93.3	-71.7	-169	-68.4	0	0	110.6
1939	Q	21.2	Very low	24.2	Very low	164 Å²	164	123 Å²	123	77%	0.766	66%	0.657	S	S	*	*				45.8	121.3	85.5	-63.4	175.1	-31	0	0	110.3
1940	S	21.2	Very low	24.5	Very low	100 Å²	100	129 Å²	129	70%	0.699	68%	0.684	S	S	*	*			cis	179.4	-148.4	13.7	44.3	0	0	0	0	106.1
1941	V	22.1	Very low	25.1	Very low	114 Å²	114	128.5 Å²	128.5	69%	0.691	70%	0.695	S	S	*	*			trans	53.3	80.5	151	176.8	0	0	0	0	113.5
1942	S	22.9	Very low	25.2	Very low	89 Å²	89	129.9 Å²	129.9	62%	0.622	70%	0.702	S	S	*	*				40.6	112.5	85.7	79.5	0	0	0	0	113.6
1943	H	25.1	Very low	25.3	Very low	160 Å²	160	129.8 Å²	129.8	74%	0.741	71%	0.711	S	S	*	*			trans	163.1	143.6	133.2	-94.5	-63.1	0	0	0	111.7
1944	L	23.7	Very low	25.5	Very low	149 Å²	149	128.9 Å²	128.9	78%	0.78	71%	0.713	S	S	*	*			trans	63.1	134.5	145.7	-63.3	166.2	0	0	0	116.9
1945	T	25.2	Very low	25.3	Very low	108 Å²	108	129.8 Å²	129.8	66%	0.663	72%	0.717	S	S	*	*			cis	-143.7	153.2	14.7	46.7	0	0	0	0	111.6
1946	N	23.3	Very low	25	Very low	128 Å²	128	131.7 Å²	131.7	68%	0.684	72%	0.719	S	S	*	*			trans	39.3	139.5	134.5	-42	-2.6	0	0	0	118.2
1947	S	24.8	Very low	24.9	Very low	90 Å²	90	127 Å²	127	63%	0.629	70%	0.704	S	S	*	*			cis	179.4	165.6	25.3	12.8	0	0	0	0	106.5
1948	F	24.2	Very low	24.6	Very low	173 Å²	173	129 Å²	129	76%	0.759	71%	0.709	S	S	*	*			cis	-161.6	159	-2.2	-90.2	-33.9	0	0	0	106.2
1949	E	24	Very low	24.5	Very low	157 Å²	157	129.1 Å²	129.1	73%	0.734	70%	0.702	S	S	*	*			cis	-161	-110.8	-26.5	-159.1	82.8	-44.5	0	0	109.5
1950	L	31.9	Very low	24.6	Very low	159 Å²	159	129.7 Å²	129.7	83%	0.832	71%	0.705	S	S	*	*			trans	-148.9	179.4	-174.8	-84.8	165.4	0	0	0	107.2
1951	P	33.2	Very low	24.6	Very low	98 Å²	98	134 Å²	134	64%	0.636	71%	0.707	S	S	*	*			cis	-143.2	-156.6	21.5	41.8	-18.8	0	0	0	114.8
1952	D	26.1	Very low	24.8	Very low	153 Å²	153	132.1 Å²	132.1	82%	0.818	70%	0.703	S	S	*	*			trans	65	159.1	161.7	-61.6	-22.2	0	0	0	116.7
1953	G	27.5	Very low	24.8	Very low	60 Å²	60	135.8 Å²	135.8	62%	0.619	71%	0.71	S	S	*	*			cis	128.5	152.4	6.9	0	0	0	0	0	109.4
1954	H	27.9	Very low	24.8	Very low	166 Å²	166	133.1 Å²	133.1	77%	0.769	71%	0.705	S	S	*	*			trans	75.4	120.3	-174.3	-66.3	-89	0	0	0	115.6
1955	I	22.5	Very low	24.9	Very low	134 Å²	134	132.3 Å²	132.3	69%	0.687	70%	0.702	S	S	*	*				83	125.9	61.4	-74	-171.2	0	0	0	110.3
1956	L	21.6	Very low	24.9	Very low	125 Å²	125	136.7 Å²	136.7	65%	0.654	71%	0.712	S	S	*	*			cis	-166.1	170.8	2.8	-148.9	64.8	0	0	0	111.7
1957	N	21.4	Very low	25	Very low	112 Å²	112	133.6 Å²	133.6	60%	0.599	71%	0.71	S	S	*	*			trans	68	154.3	159.6	-59.9	-40.4	0	0	0	117.3
1958	S	23.7	Very low	25	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	71%	0.712	S	S	*	*			cis	-129	128.7	5.9	-91.5	0	0	0	0	110.7
1959	R	21	Very low	25	Very low	170 Å²	170	133.9 Å²	133.9	64%	0.642	71%	0.714	S	S	*	*				61.1	118	95.9	-61.8	175.9	-176.9	-167.7	-0.8	114
1960	Q	22.9	Very low	25.1	Very low	177 Å²	177	131.6 Å²	131.6	83%	0.827	71%	0.711	S	S	*	*				51.8	85	66.7	-72.6	-168.6	-32.4	0	0	114.7
1961	Y	22.4	Very low	24.8	Very low	189 Å²	189	129.4 Å²	129.4	74%	0.741	71%	0.709	S	S	*	*			trans	-146	120.1	137.9	-76.9	-73.7	0	0	0	104.8
1962	A	24.6	Very low	24.4	Very low	75 Å²	75	129.5 Å²	129.5	62%	0.62	71%	0.709	S	S	*	*			cis	58.7	96.9	31.8	0	0	0	0	0	111.7
1963	H	24.1	Very low	24.2	Very low	167 Å²	167	126.6 Å²	126.6	77%	0.773	70%	0.701	S	S	*	*			trans	68.5	140.6	-174.1	-56.3	-90.7	0	0	0	114.4
1964	T	24.2	Very low	23.9	Very low	103 Å²	103	133.7 Å²	133.7	63%	0.632	71%	0.709	S	S	*	*			cis	-163.6	164.5	-7.1	10.3	0	0	0	0	111.2
1965	N	25.8	Very low	23.6	Very low	132 Å²	132	135 Å²	135	71%	0.706	71%	0.709	S	S	*	*			trans	70.5	131	145	-75.3	-29.4	0	0	0	120.5
1966	K	24.8	Very low	23.6	Very low	201 Å²	201	137.8 Å²	137.8	87%	0.874	71%	0.712	S	S	*	*			trans	68.3	114.4	149.4	-63.9	173.1	-178.3	-176.3	0	116.3
1967	G	26.6	Very low	23.5	Very low	63 Å²	63	139.4 Å²	139.4	65%	0.649	72%	0.716	S	S	*	*			cis	-166.9	-154.7	-1.4	0	0	0	0	0	113.7
1968	S	25.2	Very low	23.6	Very low	96 Å²	96	142 Å²	142	67%	0.671	73%	0.725	S	S	*	*				46.7	113.7	90.7	71.4	0	0	0	0	111.6
1969	E	23.2	Very low	23.6	Very low	172 Å²	172	141.8 Å²	141.8	80%	0.804	72%	0.723	S	S	*	*			cis	-171.1	-179.9	19.5	-123.8	154.7	-165.2	0	0	109.7
1970	V	25.7	Very low	24.1	Very low	109 Å²	109	139.3 Å²	139.3	66%	0.661	73%	0.729	S	S	*	*			trans	51.3	85.9	147.5	172	0	0	0	0	114.6	P1972	V1970-P1972 HydrophobicContact CG1-CG 4.49Å
1971	S	26.8	Very low	24.3	Very low	114 Å²	114	134.7 Å²	134.7	80%	0.797	72%	0.721	S	S	*	*				15.7	105.6	75.7	64.1	0	0	0	0	115
1972	P	25	Very low	24.5	Very low	99 Å²	99	135.1 Å²	135.1	64%	0.643	72%	0.722	S	S	*	*				-139.6	156.2	105.9	33.5	-16.8	0	0	0	112.2	V1970	V1970-P1972 HydrophobicContact CG1-CG 4.49Å
1973	S	20.8	Very low	24.6	Very low	92 Å²	92	139.6 Å²	139.6	64%	0.643	72%	0.724	S	S	*	*				53.3	116.1	80.5	130	0	0	0	0	113.2
1974	R	20.7	Very low	24.7	Very low	210 Å²	210	139.4 Å²	139.4	79%	0.792	73%	0.725	S	S	*	*				62.8	132.4	108.1	-66.4	178.9	168.3	-178.3	-3.1	116.6
1975	Y	23.3	Very low	24.7	Very low	192 Å²	192	137.8 Å²	137.8	75%	0.753	72%	0.722	S	S	*	*			trans	66.2	173.6	138.3	-83.2	-122	0	0	0	117.6
1976	Y	22	Very low	24.7	Very low	193 Å²	193	140 Å²	140	76%	0.757	73%	0.729	S	S	*	*			trans	70.6	148.8	166.1	-55.9	-64.1	0	0	0	113.9
1977	Q	19.7	Very low	24.7	Very low	160 Å²	160	136.8 Å²	136.8	75%	0.748	72%	0.72	S	S	*	*			cis	-149.7	163	6.1	-129.2	147.6	-13.4	0	0	105.7
1978	E	22.6	Very low	24.6	Very low	167 Å²	167	141.1 Å²	141.1	78%	0.78	72%	0.723	S	S	*	*			cis	-145.3	140.2	25.1	-61.7	-176.7	135.5	0	0	107.9
1979	S	25.1	Very low	24.6	Very low	97 Å²	97	142.4 Å²	142.4	68%	0.678	72%	0.723	S	S	*	*				72.6	158.4	63.2	110.1	0	0	0	0	114.6
1980	P	30.7	Very low	24.8	Very low	118 Å²	118	141 Å²	141	77%	0.766	72%	0.721	S	S	*	*			cis	-115	-161.3	-8.8	44.1	-31.2	0	0	0	109.8
1981	A	27.8	Very low	24.7	Very low	80 Å²	80	147.4 Å²	147.4	66%	0.661	73%	0.733	S	S	*	*			cis	-165.2	168.7	10.9	0	0	0	0	0	106.2
1982	R	24.9	Very low	25	Very low	198 Å²	198	145.1 Å²	145.1	75%	0.747	72%	0.715	S	S	*	*			cis	-165.4	158.1	-24.5	-85.4	172.7	-168.7	174	5.1	102.6
1983	Y	27	Very low	25	Very low	168 Å²	168	147.5 Å²	147.5	66%	0.659	72%	0.718	S	S	*	*				-176.3	144.2	60.7	-112.4	-76.7	0	0	0	109.2
1984	M	25.9	Very low	25.2	Very low	164 Å²	164	145.9 Å²	145.9	81%	0.808	71%	0.707	S	S	*	*			trans	35.2	150.8	144.9	-70.5	-175	-27.5	0	0	122.9
1985	A	26	Very low	25.6	Very low	69 Å²	69	137.6 Å²	137.6	57%	0.57	68%	0.681	S	S	*	*			cis	-170.2	174.7	-15	0	0	0	0	0	110.5
1986	Q	25.9	Very low	26	Very low	179 Å²	179	131.7 Å²	131.7	84%	0.836	66%	0.66	S	S	*	*			trans	64.8	167.2	164	-63.5	162.8	-73.3	0	0	116.3
1987	L	24.5	Very low	26.5	Very low	133 Å²	133	122.6 Å²	122.6	70%	0.696	63%	0.625	S	S	*	*			cis	-151.1	151.5	-44.5	-106.8	167.2	0	0	0	107.9
1988	E	23.6	Very low	27.1	Very low	153 Å²	153	115 Å²	115	72%	0.715	59%	0.589	S	S	*	*			trans	48.1	127.5	150.4	-78.3	-177.8	-152.3	0	0	125.1
1989	N	26	Very low	27.7	Very low	124 Å²	124	107 Å²	107	66%	0.663	55%	0.552	S	S	*	*			trans	76.3	136.1	131	-62.7	-30.6	0	0	0	124.2
1990	N	28.1	Very low	28.1	Very low	143 Å²	143	102.5 Å²	102.5	77%	0.765	52%	0.52	S	S	*	.			trans	80	101	150.4	-57.1	-25.6	0	0	0	123.7
1991	W	23.2	Very low	28.2	Very low	243 Å²	243	97.6 Å²	97.6	92%	0.92	49%	0.489	S	S	*	.				32	159.8	121.5	-82.2	39.8	0	0	0	123.5
1992	P	31.9	Very low	28.3	Very low	65 Å²	65	96.1 Å²	96.1	42%	0.422	47%	0.466	S	S	.	.			cis	-145.8	-171.2	-22.4	40.5	-19.5	0	0	0	117.5	T1067	T1067-P1992 WeakPolarHBondContact CG2-O 3.37Å
1993	Q	25.2	Very low	28.7	Very low	149 Å²	149	88 Å²	88	70%	0.696	44%	0.437	S	S	*	.			trans	76.6	152.2	161.2	-65.9	-177.6	-0.7	0	0	120.8
1994	S	25.7	Very low	28.8	Very low	59 Å²	59	82.5 Å²	82.5	41%	0.413	42%	0.418	S	S	.	.			cis	-173	170.9	-12.7	54.6	0	0	0	0	115.1	N1063	N1063-S1994 PolarHBondContact ND2-O 2.84Å
1995	S	28.6	Very low	28.9	Very low	35 Å²	35	76.3 Å²	76.3	25%	0.245	39%	0.391	C	S	.	.			trans	54.4	125.6	149.9	49	0	0	0	0	127.5	N1063 K1096	N1063-S1995 PolarHBondContact ND2-OG 2.85Å; K1096-S1995 WeakPolarHBondContact CB-O 3.42Å; K1096-S1995 WeakPolarHBondContact CD-O 3.23Å; K1096-S1995 WeakPolarHBondContact CE-O 3.23Å; K1096-S1995 WeakPolarHBondContact CG-O 3.5Å; K1096-S1995 PolarHBondContact NZ-O 3.14Å
1996	Q	31.1	Very low	29	Very low	69 Å²	69	78.6 Å²	78.6	32%	0.322	39%	0.392	S	S	.	.			cis	-143.7	0	-2.8	-73.5	153.5	-97.2	0	0	121	K1096 T1098 K1099	K1096-Q1996 VanDerWaalsContact C-CA 3.43Å; K1096-Q1996 CarbonylContact C-O 3.58Å; K1096-Q1996 WeakPolarHBondContact CA-O 3.06Å; K1096-Q1996 VanDerWaalsContact CB-O 3.29Å; K1096-Q1996 WeakPolarHBondContact CB-O 2.94Å; K1096-Q1996 PolarHBondContact N-O 3.42Å; K1096-Q1996 CarbonylContact O-C 3.43Å; T1098-Q1996 HydrophobicContact CG2-CG 4.13Å; T1098-Q1996 WeakPolarHBondContact OG1-CB 3.36Å; T1098-Q1996 VanDerWaalsContact OG1-CG 3.25Å; T1098-Q1996 WeakPolarHBondContact OG1-CG 3.25Å; T1098-Q1996 PolarHBondContact OG1-NE2 3.12Å; K1099-Q1996 CarbonylContact C-O 3.59Å; K1099-Q1996 VanDerWaalsContact C-O 3.23Å; K1099-Q1996 HydrophobicContact CG-CB 4.09Å; K1099-Q1996 VanDerWaalsContact N-C 3.26Å; K1099-Q1996 CarbonylContact O-C 3.55Å
1997	N	32.9	Very low	29	Very low	1 Å²	1	73.3 Å²	73.3	1%	0.005	37%	0.368	C	S	.	.				0	-148.5	0	-84.1	-1.4	0	0	0	120.1	W1051 K1096 P1097 T1098 K1099 I1100 L1115	W1051-N1997 VanDerWaalsContact CH2-C 3.43Å; W1051-N1997 WeakPolarHBondContact CH2-O 3.25Å; W1051-N1997 HydrophobicContact CZ2-CB 4.19Å; W1051-N1997 WeakPolarHBondContact CZ2-O 3.4Å; W1051-N1997 PolarHBondContact NE1-OD1 3.23Å; W1051-N1997 VanDerWaalsContact NE1-OD1 3.11Å; K1096-N1997 WeakPolarHBondContact O-CA 2.99Å; K1096-N1997 PolarHBondContact O-N 2.82Å; K1096-N1997 PolarHBondContact O-OD1 3.03Å; P1097-N1997 WeakPolarHBondContact CA-OD1 3.25Å; P1097-N1997 WeakPolarHBondContact O-CB 3.19Å; P1097-N1997 PolarHBondContact O-ND2 3.34Å; P1097-N1997 PolarHBondContact O-OD1 3.03Å; T1098-N1997 CarbonylContact O-C 3.53Å; T1098-N1997 WeakPolarHBondContact O-CA 3Å; T1098-N1997 VanDerWaalsContact O-CB 3.24Å; T1098-N1997 WeakPolarHBondContact O-CB 3.3Å; T1098-N1997 PolarHBondContact O-N 2.84Å; T1098-N1997 VanDerWaalsContact O-N 3.16Å; K1099-N1997 CarbonylContact C-O 3.29Å; K1099-N1997 WeakPolarHBondContact CA-O 3.34Å; I1100-N1997 VanDerWaalsContact CA-O 3.3Å; I1100-N1997 WeakPolarHBondContact CA-O 3.16Å; I1100-N1997 WeakPolarHBondContact CB-O 2.97Å; I1100-N1997 VanDerWaalsContact CG2-O 3.29Å; I1100-N1997 WeakPolarHBondContact CG2-O 2.97Å; I1100-N1997 PolarHBondContact N-O 3.26Å; L1115-N1997 HydrophobicContact CD1-CB 4.35Å; L1115-N1997 WeakPolarHBondContact CD1-ND2 3.24Å; L1115-N1997 WeakPolarHBondContact CD1-OD1 3.39Å; L1115-N1997 WeakPolarHBondContact CD2-ND2 3.31Å
1998	N	33.3	Very low	29.3	Very low	0 Å²	0	74 Å²	74	0%	0	37%	0.365	C	S	.	.			cis	-167.9	0	2.5	-127.5	40.3	0	0	0	110.5	F1000 L1036 L1038 T1098 N2077	F1000-N1998 WeakPolarHBondContact CD1-ND2 3.32Å; F1000-N1998 WeakPolarHBondContact CE1-ND2 3.13Å; L1036-N1998 PolarHBondContact O-N 3.26Å; L1038-N1998 HydrophobicContact CB-CB 3.49Å; L1038-N1998 VanDerWaalsContact CB-CB 3.49Å; L1038-N1998 HydrophobicContact CD1-CB 3.72Å; L1038-N1998 HydrophobicContact CG-CB 3.81Å; L1038-N1998 WeakPolarHBondContact O-CB 3.42Å; L1038-N1998 PolarHBondContact O-ND2 2.64Å; T1098-N1998 PolarHBondContact O-N 2.88Å; N1998-N2077 WeakPolarHBondContact CA-OD1 3.5Å; N1998-N2077 PolarHBondContact O-OD1 2.99Å
1999	N	34.9	Very low	29.8	Very low	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.37	C	S	.	.				0	0	0	-95.7	21	0	0	0	121.6	F1000 L1003 L1038 N2077 V2078	F1000-N1999 WeakPolarHBondContact CD1-ND2 3.44Å; F1000-N1999 WeakPolarHBondContact CE1-ND2 3.39Å; F1000-N1999 WeakPolarHBondContact CZ-ND2 3.3Å; L1003-N1999 HydrophobicContact CD2-CB 3.8Å; L1003-N1999 WeakPolarHBondContact CD2-O 3.31Å; L1038-N1999 HydrophobicContact CD1-CB 3.88Å; N1999-N2077 VanDerWaalsContact C-C 3.45Å; N1999-N2077 CarbonylContact C-O 3.53Å; N1999-N2077 WeakPolarHBondContact CA-O 3.16Å; N1999-N2077 PolarHBondContact N-OD1 3.36Å; N1999-N2077 PolarHBondContact OD1-OD1 3.16Å; N1999-V2078 WeakPolarHBondContact CB-O 3.43Å; N1999-V2078 VanDerWaalsContact CG-CA 3.5Å; N1999-V2078 PolarHBondContact ND2-O 3.27Å; N1999-V2078 PolarHBondContact OD1-N 2.86Å
2000	D	33.9	Very low	30.1	Very low	3 Å²	3	69.1 Å²	69.1	2%	0.016	36%	0.355	C	S	.	.				0	-172.8	0	-69.1	-48.3	0	0	0	123.4	F1126 T1127 F1128 R2076 N2077 V2078 S2079	F1126-D2000 HydrophobicContact CB-CB 4.22Å; T1127-D2000 VanDerWaalsContact C-CB 3.48Å; T1127-D2000 WeakPolarHBondContact CA-OD1 3.47Å; T1127-D2000 WeakPolarHBondContact CA-OD2 3.28Å; T1127-D2000 PolarHBondContact N-OD2 2.85Å; F1128-D2000 WeakPolarHBondContact CA-OD1 3.26Å; F1128-D2000 HydrophobicContact CB-CB 3.54Å; F1128-D2000 WeakPolarHBondContact CB-OD1 2.81Å; F1128-D2000 WeakPolarHBondContact CD2-OD1 3.04Å; F1128-D2000 HydrophobicContact CG-CB 4.09Å; F1128-D2000 WeakPolarHBondContact CG-OD1 3.06Å; F1128-D2000 PolarHBondContact N-OD1 2.04Å; D2000-R2076 VanDerWaalsContact OD1-O 3.12Å; D2000-N2077 WeakPolarHBondContact CA-O 3.35Å; D2000-N2077 WeakPolarHBondContact CB-O 3.08Å; D2000-N2077 VanDerWaalsContact N-C 3.26Å; D2000-N2077 PolarHBondContact N-O 3.4Å; D2000-N2077 WeakPolarHBondContact OD1-CA 3.28Å; D2000-N2077 PolarHBondContact OD1-N 2.89Å; D2000-N2077 WeakPolarHBondContact OD2-CA 3.31Å; D2000-N2077 PolarHBondContact OD2-N 3.03Å; D2000-V2078 VanDerWaalsContact CG-CA 3.41Å; D2000-V2078 VanDerWaalsContact N-N 3.15Å; D2000-V2078 PolarHBondContact N-O 3.18Å; D2000-V2078 WeakPolarHBondContact OD2-CA 3.3Å; D2000-V2078 VanDerWaalsContact OD2-CG2 3.22Å; D2000-V2078 WeakPolarHBondContact OD2-CG2 3.48Å; D2000-V2078 PolarHBondContact OD2-N 2.58Å; D2000-S2079 VanDerWaalsContact C-N 3.34Å; D2000-S2079 VanDerWaalsContact CA-N 3.32Å; D2000-S2079 CarbonylContact O-C 3.58Å; D2000-S2079 WeakPolarHBondContact O-CA 3.38Å; D2000-S2079 WeakPolarHBondContact O-CB 3.25Å; D2000-S2079 PolarHBondContact O-N 3Å; D2000-S2079 PolarHBondContact O-OG 3.06Å
2001	C	31.4	Very low	30.4	Very low	15 Å²	15	68.3 Å²	68.3	10%	0.101	35%	0.351	C	S	.	.			trans	124.7	131.1	130.6	-173.6	0	0	0	0	124.2	P1024 F1126 T1127 S2079	P1024-C2001 WeakPolarHBondContact CD-O 3.42Å; P1024-C2001 VanDerWaalsContact CG-C 3.49Å; P1024-C2001 WeakPolarHBondContact CG-O 3.38Å; F1126-C2001 HydrophobicContact CB-CB 3.8Å; F1126-C2001 HydrophobicContact CD1-CB 4.34Å; F1126-C2001 HydrophobicContact CD2-CB 4.15Å; F1126-C2001 WeakPolarHBondContact CD2-SG 3.14Å; F1126-C2001 WeakPolarHBondContact CE2-SG 3.33Å; F1126-C2001 HydrophobicContact CG-CB 3.9Å; T1127-C2001 VanDerWaalsContact O-CA 3.3Å; T1127-C2001 WeakPolarHBondContact O-CA 2.97Å; T1127-C2001 PolarHBondContact O-N 3.26Å; C2001-S2079 VanDerWaalsContact CB-C 3.44Å; C2001-S2079 WeakPolarHBondContact CB-O 3.46Å; C2001-S2079 PolarHBondContact SG-O 3.26Å
2002	R	31.1	Very low	30.8	Very low	48 Å²	48	59.9 Å²	59.9	18%	0.181	34%	0.339	C	S	.	.			trans	-178.3	-156.3	151.3	-100.9	153.5	-166.1	-83.3	-15.8	121.6	Q1021 F1022	Q1021-R2002 CarbonylContact C-O 3.57Å; Q1021-R2002 WeakPolarHBondContact CA-O 3.43Å; Q1021-R2002 WeakPolarHBondContact CB-O 3.08Å; Q1021-R2002 WeakPolarHBondContact CG-O 2.88Å; F1022-R2002 PolarHBondContact N-O 2.9Å; F1022-R2002 CarbonylContact O-C 3.55Å; F1022-R2002 WeakPolarHBondContact O-CA 3.34Å; F1022-R2002 VanDerWaalsContact O-CB 3.31Å; F1022-R2002 WeakPolarHBondContact O-CB 3.1Å; F1022-R2002 PolarHBondContact O-N 2.91Å
2003	N	31.9	Very low	30.9	Very low	28 Å²	28	61.5 Å²	61.5	15%	0.15	35%	0.352	C	S	.	.			trans	60.9	-164.6	-152.1	-73.6	-13.6	0	0	0	119	E1020 F1022	E1020-N2003 HydrophobicContact CB-CB 3.88Å; E1020-N2003 CarbonylContact O-C 3.3Å; E1020-N2003 VanDerWaalsContact O-C 3.29Å; E1020-N2003 WeakPolarHBondContact O-CB 3.04Å; E1020-N2003 PolarHBondContact OE2-ND2 3.06Å; E1020-N2003 VanDerWaalsContact OE2-ND2 3.15Å; F1022-N2003 HydrophobicContact CB-CB 4Å; F1022-N2003 VanDerWaalsContact CB-CG 3.42Å; F1022-N2003 WeakPolarHBondContact CB-OD1 3.4Å; F1022-N2003 WeakPolarHBondContact CD1-ND2 3.49Å; F1022-N2003 VanDerWaalsContact CD2-CG 3.4Å; F1022-N2003 WeakPolarHBondContact CD2-ND2 3.46Å; F1022-N2003 WeakPolarHBondContact CD2-OD1 3.09Å; F1022-N2003 WeakPolarHBondContact CE1-ND2 3.15Å; F1022-N2003 WeakPolarHBondContact CE2-OD1 3.33Å; F1022-N2003 HydrophobicContact CG-CB 4.32Å; F1022-N2003 WeakPolarHBondContact CG-ND2 3.22Å; F1022-N2003 WeakPolarHBondContact CG-OD1 3.07Å
2004	M	29.5	Very low	31.1	Very low	52 Å²	52	59.3 Å²	59.3	26%	0.256	35%	0.349	S	S	.	.				-145.1	-170.3	-120.2	-83.8	-167.9	-56	0	0	115.4	L1013 N1018 N1019 E1020	L1013-M2004 HydrophobicContact CD2-CG 4.2Å; L1013-M2004 HydrophobicContact CD2-SD 3.61Å; N1018-M2004 WeakPolarHBondContact O-CB 3.2Å; N1019-M2004 WeakPolarHBondContact CA-O 3.48Å; N1019-M2004 PolarHBondContact OD1-O 2.85Å; E1020-M2004 PolarHBondContact O-N 3.07Å
2005	S	27.4	Very low	31.2	Very low	34 Å²	34	62.9 Å²	62.9	24%	0.238	36%	0.362	C	S	.	.				170.5	163.3	-55.7	69.7	0	0	0	0	115.2	S1015 P1016 N1017 N1018 N1019	S1015-S2005 WeakPolarHBondContact O-CB 3.34Å; S1015-S2005 PolarHBondContact O-OG 3.16Å; P1016-S2005 VanDerWaalsContact CA-OG 3.29Å; P1016-S2005 WeakPolarHBondContact CA-OG 3.31Å; N1017-S2005 CarbonylContact C-O 3.49Å; N1017-S2005 VanDerWaalsContact CA-O 3.27Å; N1017-S2005 WeakPolarHBondContact CA-O 3.42Å; N1017-S2005 PolarHBondContact N-OG 3.24Å; N1018-S2005 PolarHBondContact N-O 2.94Å; N1019-S2005 PolarHBondContact OD1-N 3.3Å
2006	I	28.2	Very low	31.6	Very low	117 Å²	117	65.5 Å²	65.5	60%	0.6	38%	0.378	S	S	*	.			trans	-178.6	168.7	-178.7	-107	156.8	0	0	0	111.2	P1016 N1017	P1016-I2006 WeakPolarHBondContact O-CA 3.31Å; N1017-I2006 VanDerWaalsContact OD1-CG1 3.24Å; N1017-I2006 WeakPolarHBondContact OD1-CG1 3.17Å
2007	E	26.5	Very low	31.7	Very low	69 Å²	69	67.4 Å²	67.4	32%	0.322	40%	0.397	S	S	.	.			cis	-172.3	166.8	-41.1	-157.6	-179.1	-151.5	0	0	112	N1017 Y1648	N1017-E2007 PolarHBondContact ND2-OE1 2.83Å; N1017-E2007 WeakPolarHBondContact OD1-CB 3.23Å; N1017-E2007 VanDerWaalsContact OD1-CD 3.27Å; N1017-E2007 WeakPolarHBondContact OD1-CG 3.3Å; N1017-E2007 PolarHBondContact OD1-OE1 3.22Å; Y1648-E2007 WeakPolarHBondContact CE1-OE1 3.45Å
2008	F	30.8	Very low	31.8	Very low	146 Å²	146	72.1 Å²	72.1	64%	0.64	43%	0.427	S	S	*	.			trans	65.7	175.6	166.9	-81.8	-69.5	0	0	0	120.8
2009	P	34.1	Very low	32	Very low	125 Å²	125	79.1 Å²	79.1	81%	0.812	47%	0.465	S	S	*	.			cis	-132	-136	13.5	44.8	-23	0	0	0	118.1
2010	S	32.6	Very low	31.9	Very low	50 Å²	50	84.9 Å²	84.9	35%	0.35	50%	0.496	S	S	.	.			trans	-150.5	172	-156.4	63.7	0	0	0	0	121.1	H1916 G1917	H1916-S2010 PolarHBondContact O-OG 2.84Å; G1917-S2010 PolarHBondContact N-OG 2.67Å; G1917-S2010 VanDerWaalsContact O-CB 3.28Å; G1917-S2010 WeakPolarHBondContact O-CB 3.32Å
2011	N	33.5	Very low	31.9	Very low	127 Å²	127	93 Å²	93	68%	0.679	53%	0.531	S	S	*	.			trans	91.2	134	151.5	-146.4	-1.7	0	0	0	123.4
2012	G	31.6	Very low	31.9	Very low	65 Å²	65	99.5 Å²	99.5	67%	0.67	56%	0.56	S	S	*	*			trans	164.5	134.3	170.5	0	0	0	0	0	119.6
2013	S	34.3	Very low	31.9	Very low	99 Å²	99	102.5 Å²	102.5	69%	0.692	58%	0.583	S	S	*	*			trans	-76.3	158.9	-171.8	53.2	0	0	0	0	118.2
2014	T	30.3	Very low	31.9	Very low	103 Å²	103	107.4 Å²	107.4	63%	0.632	62%	0.615	S	S	*	*				180	141.4	74	43.3	0	0	0	0	118.9	W1892	W1892-T2014 VanDerWaalsContact CH2-C 3.43Å
2015	I	28.2	Very low	32	Very low	134 Å²	134	108.5 Å²	108.5	69%	0.687	64%	0.64	S	S	*	*			trans	61.6	168.5	156.1	9.1	-176.2	0	0	0	123.2	W1892	W1892-I2015 VanDerWaalsContact CZ3-CA 3.48Å; W1892-I2015 VanDerWaalsContact CZ3-O 3.29Å; W1892-I2015 WeakPolarHBondContact CZ3-O 3.35Å
2016	P	36.4	Very low	32.3	Very low	91 Å²	91	111.3 Å²	111.3	59%	0.591	66%	0.659	S	S	*	*				-129.1	-149.7	-121.8	49.7	-29.9	0	0	0	113.9
2017	P	33	Very low	32.5	Very low	109 Å²	109	112.5 Å²	112.5	71%	0.708	66%	0.662	S	S	*	*			cis	-125.4	-130.9	-18.6	40.2	-18.6	0	0	0	110
2018	P	35.1	Very low	32.6	Very low	99 Å²	99	115.5 Å²	115.5	64%	0.643	68%	0.679	S	S	*	*			cis	-132.7	156	-35.3	36.2	-18.5	0	0	0	117.2
2019	N	36.8	Very low	33.3	Very low	147 Å²	147	112.7 Å²	112.7	79%	0.786	68%	0.675	S	S	*	*			trans	57.4	-177.6	144	-67.2	40.6	0	0	0	119.8
2020	D	34.4	Very low	33	Very low	122 Å²	122	116.6 Å²	116.6	65%	0.652	68%	0.675	S	S	*	*			cis	-154.3	-177.7	-5.1	-139.5	-61	0	0	0	113
2021	F	32.3	Very low	32.9	Very low	174 Å²	174	121.1 Å²	121.1	76%	0.763	69%	0.694	S	S	*	*			trans	78.3	-170.9	155.3	-92.1	-69.6	0	0	0	122
2022	Q	31.2	Very low	32.6	Very low	151 Å²	151	122.6 Å²	122.6	71%	0.706	70%	0.697	S	S	*	*			trans	-153.3	-178.8	-143.1	-69.2	174.4	79.7	0	0	111.1
2023	T	32.4	Very low	32.6	Very low	110 Å²	110	126.2 Å²	126.2	68%	0.675	71%	0.706	S	S	*	*			cis	-168.4	165.1	9.7	7.8	0	0	0	0	107.2
2024	T	30.5	Very low	32.3	Very low	131 Å²	131	127.6 Å²	127.6	80%	0.804	71%	0.705	S	S	*	*			cis	-176.8	148.5	-30.7	32.1	0	0	0	0	109.3
2025	G	33.5	Very low	32.1	Very low	76 Å²	76	127.4 Å²	127.4	78%	0.784	71%	0.708	S	S	*	*			trans	117.8	177.4	162.7	0	0	0	0	0	116.3
2026	S	32.7	Very low	32.2	Very low	92 Å²	92	125.6 Å²	125.6	64%	0.643	71%	0.707	S	S	*	*			cis	-163.3	164.9	-12.7	67.7	0	0	0	0	112.3
2027	H	32.4	Very low	31.8	Very low	142 Å²	142	127.4 Å²	127.4	66%	0.657	72%	0.717	S	S	*	*			trans	48.4	-171.6	165.7	-60.6	-70.2	0	0	0	119.1	R1930	R1930-H2027 PolarHBondContact NE-O 2.9Å; R1930-H2027 PolarHBondContact NH2-O 3.32Å
2028	I	28.8	Very low	31.9	Very low	133 Å²	133	127 Å²	127	68%	0.682	71%	0.714	S	S	*	*				-128.3	152.6	-85.3	-97.1	165.8	0	0	0	111.9	R1930	R1930-I2028 VanDerWaalsContact NH2-C 3.33Å
2029	P	44.3	Very low	31.4	Very low	86 Å²	86	128.5 Å²	128.5	56%	0.558	72%	0.722	S	S	*	*			trans	-134	-177.1	170.8	44.4	-31.5	0	0	0	114.2
2030	Y	29.5	Very low	31	Very low	207 Å²	207	127.1 Å²	127.1	81%	0.812	72%	0.718	S	S	*	*			trans	-150.1	113.4	165.3	-109.4	-84.6	0	0	0	117.8
2031	I	29.6	Very low	30.5	Very low	146 Å²	146	128.4 Å²	128.4	75%	0.749	73%	0.725	S	S	*	*			trans	65.1	144	142.3	-68.7	-174.8	0	0	0	124.3
2032	Q	28	Very low	31	Very low	157 Å²	157	131.2 Å²	131.2	73%	0.734	73%	0.731	S	S	*	*			trans	-115.7	171.8	173.2	-46.5	170.4	-86	0	0	112.1
2033	V	30.1	Very low	31	Very low	142 Å²	142	129.6 Å²	129.6	86%	0.861	73%	0.733	S	S	*	*			trans	-140.4	144.7	147.6	-167.6	0	0	0	0	110.1
2034	N	28.1	Very low	30.8	Very low	127 Å²	127	134.1 Å²	134.1	68%	0.679	74%	0.74	S	S	*	*			trans	-90.3	-176.7	175.5	-61.7	-52.3	0	0	0	110.4
2035	S	27.4	Very low	30.6	Very low	99 Å²	99	138.5 Å²	138.5	69%	0.692	74%	0.743	S	S	*	*			cis	-175.7	164.3	31.9	51.4	0	0	0	0	111.9
2036	S	28.9	Very low	30.2	Very low	97 Å²	97	141.8 Å²	141.8	68%	0.678	74%	0.737	S	S	*	*			trans	56.1	141	143.8	60.6	0	0	0	0	120.9
2037	T	28.7	Very low	29.9	Very low	129 Å²	129	144.4 Å²	144.4	79%	0.791	74%	0.743	S	S	*	*			cis	178.5	-176.5	2.3	23.9	0	0	0	0	107.1
2038	P	35.2	Very low	29.7	Very low	100 Å²	100	142.7 Å²	142.7	65%	0.649	74%	0.743	S	S	*	*			cis	-132.9	-163.5	-43.5	34.6	-13.4	0	0	0	112.8
2039	T	25.3	Very low	29.6	Very low	130 Å²	130	143.2 Å²	143.2	80%	0.798	75%	0.747	S	S	*	*			trans	76.1	150.9	169	80.1	0	0	0	0	116.6
2040	V	27.6	Very low	28.9	Very low	119 Å²	119	147.6 Å²	147.6	72%	0.721	76%	0.76	S	S	*	*			cis	-133.3	133.2	8.6	175.3	0	0	0	0	112.8
2041	N	25	Very low	28.9	Very low	148 Å²	148	144.9 Å²	144.9	79%	0.791	76%	0.759	S	S	*	*			trans	15	138.5	152.8	-52.9	-11.1	0	0	0	125.1
2042	R	41.8	Very low	28.8	Very low	234 Å²	234	146.1 Å²	146.1	88%	0.883	76%	0.759	S	S	*	*			trans	-83.7	154.4	142.4	-67.7	176.4	172.9	176	-3.8	111.1
2043	P	31.5	Very low	28.7	Very low	117 Å²	117	145 Å²	145	76%	0.76	76%	0.758	S	S	*	*			trans	-128.5	155.1	135.9	8.2	14.4	0	0	0	112
2044	Y	27.1	Very low	28.4	Very low	205 Å²	205	144 Å²	144	80%	0.804	75%	0.747	S	S	*	*			cis	102.1	119.3	24.9	-97.1	-69.8	0	0	0	114.7
2045	Y	27.2	Very low	28.3	Very low	223 Å²	223	144 Å²	144	88%	0.875	75%	0.746	S	S	*	*			trans	-176.7	143.1	146.2	-85.4	-72.4	0	0	0	108
2046	H	25.8	Very low	28.3	Very low	144 Å²	144	145.4 Å²	145.4	67%	0.667	75%	0.745	S	S	*	*			cis	-171	170	-28.3	-133.9	-87.5	0	0	0	110.4
2047	I	26.3	Very low	28.2	Very low	147 Å²	147	147.4 Å²	147.4	75%	0.754	74%	0.744	S	S	*	*			trans	78.3	161.1	160.3	-63	157.6	0	0	0	116.5
2048	T	27	Very low	28.1	Very low	107 Å²	107	146.5 Å²	146.5	66%	0.656	73%	0.734	S	S	*	*				-151.2	-179.8	-119	40.4	0	0	0	0	113.4
2049	D	27.6	Very low	27.8	Very low	143 Å²	143	148.8 Å²	148.8	77%	0.765	74%	0.741	S	S	*	*			trans	90.6	144.6	149.4	-57.5	-48	0	0	0	123.6
2050	E	29.1	Very low	28.3	Very low	178 Å²	178	148.2 Å²	148.2	83%	0.832	74%	0.739	S	S	*	*			trans	49.5	101.9	156.9	-64.4	-166.6	164.5	0	0	125.7
2051	N	30.3	Very low	28.2	Very low	151 Å²	151	146.3 Å²	146.3	81%	0.807	74%	0.744	S	S	*	*				46.7	151.7	99.1	-117.1	-19.6	0	0	0	123.6
2052	K	27.4	Very low	28.1	Very low	171 Å²	171	143.3 Å²	143.3	74%	0.743	74%	0.74	S	S	*	*			trans	76	132.4	164.2	-67.3	171.3	179.2	164.7	0	119.5
2053	N	25.2	Very low	27.2	Very low	133 Å²	133	138.4 Å²	138.4	71%	0.711	73%	0.731	S	S	*	*			trans	68.9	150.2	148.6	-66.2	-2.7	0	0	0	117.3
2054	I	24.8	Very low	26.9	Very low	123 Å²	123	140.8 Å²	140.8	63%	0.631	73%	0.732	S	S	*	*			cis	-150.3	129.4	-10.6	-114.1	162.6	0	0	0	103.3
2055	I	25.5	Very low	26.9	Very low	127 Å²	127	137.6 Å²	137.6	65%	0.651	73%	0.728	S	S	*	*				55	134.8	84.4	-68	169.1	0	0	0	111.4
2056	N	27	Very low	26.8	Very low	128 Å²	128	135.2 Å²	135.2	68%	0.684	72%	0.724	S	S	*	*			trans	66.2	155.4	169	-67.3	8	0	0	0	115.8
2057	Q	26.3	Very low	26.9	Very low	139 Å²	139	131.6 Å²	131.6	65%	0.65	72%	0.72	S	S	*	*			cis	-156.8	161.7	-11.3	-119	170.9	-66.7	0	0	111
2058	D	26.6	Very low	27.1	Very low	109 Å²	109	129.4 Å²	129.4	58%	0.583	71%	0.708	S	S	*	*			trans	30.9	116.9	136.3	-53.1	-17.1	0	0	0	120.5
2059	N	30.6	Very low	27	Very low	148 Å²	148	129.9 Å²	129.9	79%	0.791	71%	0.706	S	S	*	*			trans	67.2	-165.9	133.6	-64.8	-47.6	0	0	0	115.8
2060	P	35.7	Very low	27	Very low	118 Å²	118	127.6 Å²	127.6	77%	0.766	69%	0.691	S	S	*	*				-128.3	153.1	-72	36	-24.1	0	0	0	114.6
2061	G	25.5	Very low	26.8	Very low	79 Å²	79	127 Å²	127	81%	0.814	68%	0.681	S	S	*	*			trans	67.2	-165.7	-177.4	0	0	0	0	0	111.4
2062	A	22.6	Very low	26.5	Very low	85 Å²	85	128.1 Å²	128.1	70%	0.702	69%	0.686	S	S	*	*			cis	-164.6	158.7	-26.9	0	0	0	0	0	106.8
2063	D	22.9	Very low	26.4	Very low	131 Å²	131	122 Å²	122	70%	0.701	67%	0.672	S	S	*	*			trans	60.5	106.6	152.9	-58.4	-11.8	0	0	0	121.7
2064	H	25.5	Very low	26.4	Very low	168 Å²	168	119.4 Å²	119.4	78%	0.778	66%	0.657	S	S	*	*			trans	78.6	168.4	131.9	-63.7	-47.1	0	0	0	122
2065	L	26.4	Very low	26.6	Very low	138 Å²	138	115 Å²	115	72%	0.723	64%	0.637	S	S	*	*			trans	78.9	111.2	167.1	-56.8	120.1	0	0	0	115.3
2066	Q	25.8	Very low	26.7	Very low	172 Å²	172	109 Å²	109	80%	0.804	61%	0.606	S	S	*	*				90	144.5	81.7	-84.7	-179.6	4	0	0	113.4
2067	A	27.6	Very low	26.9	Very low	69 Å²	69	102.9 Å²	102.9	57%	0.57	57%	0.573	S	S	*	*			cis	-157.8	-174.3	-3.3	0	0	0	0	0	111.5
2068	M	29	Very low	27	Very low	101 Å²	101	96.3 Å²	96.3	50%	0.498	54%	0.542	S	S	.	.			trans	73.6	130.1	-177.3	-57.7	-179.4	153.3	0	0	115.2	D214 W215	D214-M2068 HydrophobicContact CB-CE 4.13Å; D214-M2068 WeakPolarHBondContact O-CE 3.19Å; W215-M2068 HydrophobicContact CB-CE 4.37Å; W215-M2068 HydrophobicContact CD2-CE 3.34Å; W215-M2068 HydrophobicContact CE3-CE 3.8Å; W215-M2068 HydrophobicContact CG-CE 3.61Å; W215-M2068 HydrophobicContact CH2-CE 4.22Å; W215-M2068 HydrophobicContact CZ2-CE 3.83Å; W215-M2068 HydrophobicContact CZ3-CE 4.21Å
2069	D	26	Very low	27.2	Very low	116 Å²	116	91.6 Å²	91.6	62%	0.62	52%	0.518	S	S	*	.			cis	-138.8	123.7	-2.8	-154.8	40.9	0	0	0	107.8
2070	Q	27.9	Very low	27.1	Very low	96 Å²	96	86 Å²	86	45%	0.449	49%	0.488	S	S	.	.				45.1	135.4	101.4	-58	-174.8	67	0	0	115.6	F204	F204-Q2070 VanDerWaalsContact CZ-NE2 3.3Å
2071	R	24.2	Very low	27	Very low	165 Å²	165	82.5 Å²	82.5	62%	0.623	46%	0.463	S	S	*	.			cis	-155.4	162.3	14.7	-104.9	145.1	-170.9	-133.7	4.8	109.7
2072	L	23.2	Very low	27.1	Very low	175 Å²	175	85.7 Å²	85.7	92%	0.916	46%	0.458	S	S	*	.			trans	72	116.1	159.4	-66.1	157	0	0	0	120.9
2073	G	25.7	Very low	27.5	Very low	43 Å²	43	85.4 Å²	85.4	44%	0.443	44%	0.444	S	S	.	.			trans	108.1	129.4	139.5	0	0	0	0	0	119.5	N1054	N1054-G2073 WeakPolarHBondContact CB-O 3.47Å; N1054-G2073 PolarHBondContact ND2-O 3.41Å
2074	I	26.4	Very low	27.8	Very low	78 Å²	78	83.6 Å²	83.6	40%	0.4	44%	0.438	S	S	.	.			trans	10.9	131.2	152.9	-55.8	-171.7	0	0	0	117.7	R1053 N1054 A1111	R1053-I2074 HydrophobicContact CB-CG1 4.38Å; R1053-I2074 HydrophobicContact CG-CB 4.08Å; R1053-I2074 HydrophobicContact CG-CD1 4.01Å; R1053-I2074 HydrophobicContact CG-CG1 3.79Å; R1053-I2074 HydrophobicContact CG-CG2 3.62Å; R1053-I2074 WeakPolarHBondContact O-CA 3.41Å; N1054-I2074 VanDerWaalsContact CB-C 3.4Å; N1054-I2074 VanDerWaalsContact CB-N 3.35Å; A1111-I2074 HydrophobicContact CB-CG2 3.74Å
2075	P	27.4	Very low	28	Very low	31 Å²	31	80.4 Å²	80.4	20%	0.201	42%	0.423	C	S	.	.			cis	-141.4	-159.3	19.1	14.8	18.5	0	0	0	117	N1054 A1111 N1112	N1054-P2075 VanDerWaalsContact CA-O 3.29Å; N1054-P2075 WeakPolarHBondContact CA-O 3.28Å; N1054-P2075 WeakPolarHBondContact CB-O 3.38Å; N1054-P2075 VanDerWaalsContact N-CA 3.26Å; N1054-P2075 PolarHBondContact N-O 3.15Å; A1111-P2075 HydrophobicContact CB-CB 3.73Å; A1111-P2075 HydrophobicContact CB-CG 3.53Å; N1112-P2075 HydrophobicContact CB-CB 3.61Å; N1112-P2075 HydrophobicContact CB-CG 4.06Å; N1112-P2075 VanDerWaalsContact CG-CG 3.49Å; N1112-P2075 VanDerWaalsContact N-CG 3.29Å; N1112-P2075 WeakPolarHBondContact OD1-CG 3.33Å
2076	R	27.9	Very low	28.1	Very low	0 Å²	0	80.3 Å²	80.3	0%	0	42%	0.419	C	S	.	.			cis	157.5	0	-27.9	-142.9	-138.2	-174.5	-98.7	-40.3	111.2	F1052 R1053 L1058 N1112 Y1113 T1114 D2000	F1052-R2076 VanDerWaalsContact C-CG 3.43Å; F1052-R2076 WeakPolarHBondContact O-CA 3.2Å; F1052-R2076 WeakPolarHBondContact O-CB 3.47Å; F1052-R2076 WeakPolarHBondContact O-CG 3.42Å; R1053-R2076 HydrophobicContact CB-CG 3.9Å; R1053-R2076 HydrophobicContact CG-CG 3.92Å; L1058-R2076 VanDerWaalsContact CD1-NH2 3.32Å; N1112-R2076 VanDerWaalsContact C-CA 3.49Å; N1112-R2076 HydrophobicContact CB-CB 4.1Å; N1112-R2076 WeakPolarHBondContact CB-O 3.44Å; N1112-R2076 PolarHBondContact ND2-N 3.27Å; N1112-R2076 PolarHBondContact ND2-O 3.48Å; N1112-R2076 WeakPolarHBondContact O-CB 3.14Å; N1112-R2076 WeakPolarHBondContact O-CD 3.05Å; N1112-R2076 WeakPolarHBondContact O-CG 3.35Å; Y1113-R2076 VanDerWaalsContact CA-CD 3.42Å; Y1113-R2076 VanDerWaalsContact CE1-NH1 3.28Å; Y1113-R2076 PolarHBondContact N-O 2.73Å; Y1113-R2076 VanDerWaalsContact O-CD 3.31Å; Y1113-R2076 WeakPolarHBondContact O-CD 3.4Å; Y1113-R2076 WeakPolarHBondContact O-CG 3.28Å; Y1113-R2076 PolarHBondContact O-NH1 2.85Å; Y1113-R2076 VanDerWaalsContact O-NH1 3.17Å; T1114-R2076 WeakPolarHBondContact OG1-CA 3.34Å; T1114-R2076 PolarHBondContact OG1-N 3.01Å; T1114-R2076 VanDerWaalsContact OG1-N 3.17Å; T1114-R2076 PolarHBondContact OG1-O 3.43Å; D2000-R2076 VanDerWaalsContact OD1-O 3.12Å
2077	N	30.8	Very low	28.1	Very low	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.41	C	S	.	.				0	133.9	0	-131.3	-136.5	0	0	0	116.3	W1051 Y1113 T1114 L1115 N1998 N1999 D2000	W1051-N2077 WeakPolarHBondContact CH2-OD1 3.49Å; W1051-N2077 HydrophobicContact CZ3-CB 4.3Å; W1051-N2077 WeakPolarHBondContact CZ3-ND2 3.42Å; W1051-N2077 WeakPolarHBondContact CZ3-OD1 3.16Å; Y1113-N2077 VanDerWaalsContact O-CB 3.26Å; Y1113-N2077 WeakPolarHBondContact O-CB 3.18Å; Y1113-N2077 PolarHBondContact O-ND2 3.49Å; T1114-N2077 WeakPolarHBondContact CA-ND2 3.28Å; T1114-N2077 PolarHBondContact N-ND2 3.15Å; T1114-N2077 VanDerWaalsContact N-ND2 3.15Å; T1114-N2077 PolarHBondContact O-ND2 3.45Å; L1115-N2077 WeakPolarHBondContact CB-ND2 2.98Å; L1115-N2077 PolarHBondContact N-ND2 2.91Å; L1115-N2077 VanDerWaalsContact N-ND2 3.15Å; N1998-N2077 WeakPolarHBondContact CA-OD1 3.5Å; N1998-N2077 PolarHBondContact O-OD1 2.99Å; N1999-N2077 VanDerWaalsContact C-C 3.45Å; N1999-N2077 CarbonylContact C-O 3.53Å; N1999-N2077 WeakPolarHBondContact CA-O 3.16Å; N1999-N2077 PolarHBondContact N-OD1 3.36Å; N1999-N2077 PolarHBondContact OD1-OD1 3.16Å; D2000-N2077 WeakPolarHBondContact CA-O 3.35Å; D2000-N2077 WeakPolarHBondContact CB-O 3.08Å; D2000-N2077 VanDerWaalsContact N-C 3.26Å; D2000-N2077 PolarHBondContact N-O 3.4Å; D2000-N2077 WeakPolarHBondContact OD1-CA 3.28Å; D2000-N2077 PolarHBondContact OD1-N 2.89Å; D2000-N2077 WeakPolarHBondContact OD2-CA 3.31Å; D2000-N2077 PolarHBondContact OD2-N 3.03Å
2078	V	30.5	Very low	28.1	Very low	0 Å²	0	82.4 Å²	82.4	0%	0	42%	0.42	C	S	.	.			trans	-102	122.8	-130.1	158.7	0	0	0	0	127.4	F1000 L1115 E1125 F1126 N1999 D2000	F1000-V2078 HydrophobicContact CD2-CG1 4.18Å; F1000-V2078 HydrophobicContact CE2-CG1 3.45Å; F1000-V2078 VanDerWaalsContact CE2-CG1 3.45Å; F1000-V2078 HydrophobicContact CZ-CG1 3.89Å; L1115-V2078 WeakPolarHBondContact O-CB 3.34Å; L1115-V2078 WeakPolarHBondContact O-CG1 3.01Å; L1115-V2078 WeakPolarHBondContact O-CG2 3.26Å; E1125-V2078 HydrophobicContact CB-CG1 4.39Å; E1125-V2078 HydrophobicContact CB-CG2 4Å; F1126-V2078 HydrophobicContact CB-CB 4.5Å; F1126-V2078 HydrophobicContact CB-CG1 4.31Å; F1126-V2078 HydrophobicContact CB-CG2 4.4Å; F1126-V2078 HydrophobicContact CD1-CG1 4.29Å; N1999-V2078 WeakPolarHBondContact CB-O 3.43Å; N1999-V2078 VanDerWaalsContact CG-CA 3.5Å; N1999-V2078 PolarHBondContact ND2-O 3.27Å; N1999-V2078 PolarHBondContact OD1-N 2.86Å; D2000-V2078 VanDerWaalsContact CG-CA 3.41Å; D2000-V2078 VanDerWaalsContact N-N 3.15Å; D2000-V2078 PolarHBondContact N-O 3.18Å; D2000-V2078 WeakPolarHBondContact OD2-CA 3.3Å; D2000-V2078 VanDerWaalsContact OD2-CG2 3.22Å; D2000-V2078 WeakPolarHBondContact OD2-CG2 3.48Å; D2000-V2078 PolarHBondContact OD2-N 2.58Å
2079	S	29	Very low	28	Very low	10 Å²	10	80.5 Å²	80.5	7%	0.07	43%	0.427	C	S	.	.			trans	-162.1	-160.2	174.4	106.6	0	0	0	0	118	L1003 F1126 D2000 C2001	L1003-S2079 VanDerWaalsContact CD2-CB 3.4Å; L1003-S2079 WeakPolarHBondContact CD2-OG 3.45Å; F1126-S2079 WeakPolarHBondContact CD1-O 3.14Å; F1126-S2079 WeakPolarHBondContact CE1-O 3.28Å; F1126-S2079 VanDerWaalsContact CG-O 3.23Å; F1126-S2079 WeakPolarHBondContact CG-O 3.35Å; D2000-S2079 VanDerWaalsContact C-N 3.34Å; D2000-S2079 VanDerWaalsContact CA-N 3.32Å; D2000-S2079 CarbonylContact O-C 3.58Å; D2000-S2079 WeakPolarHBondContact O-CA 3.38Å; D2000-S2079 WeakPolarHBondContact O-CB 3.25Å; D2000-S2079 PolarHBondContact O-N 3Å; D2000-S2079 PolarHBondContact O-OG 3.06Å; C2001-S2079 VanDerWaalsContact CB-C 3.44Å; C2001-S2079 WeakPolarHBondContact CB-O 3.46Å; C2001-S2079 PolarHBondContact SG-O 3.26Å
2080	D	29.5	Very low	28	Very low	30 Å²	30	81.4 Å²	81.4	16%	0.16	43%	0.432	C	S	.	.				-106.5	148.6	-110.1	-68	-52	0	0	0	124.5	F1000 L1001 L1003	F1000-D2080 VanDerWaalsContact CA-OD1 3.32Å; F1000-D2080 WeakPolarHBondContact CA-OD1 3.38Å; F1000-D2080 WeakPolarHBondContact CA-OD2 3.17Å; F1000-D2080 VanDerWaalsContact CB-OD1 3.27Å; F1000-D2080 WeakPolarHBondContact CB-OD1 3.4Å; F1000-D2080 VanDerWaalsContact CB-OD2 3.25Å; F1000-D2080 WeakPolarHBondContact CB-OD2 3.41Å; F1000-D2080 PolarHBondContact N-OD1 2.96Å; F1000-D2080 VanDerWaalsContact N-OD1 3.09Å; L1001-D2080 PolarHBondContact N-OD2 3.03Å; L1003-D2080 VanDerWaalsContact CD1-OD2 3.23Å; L1003-D2080 WeakPolarHBondContact CD1-OD2 3.13Å
2081	N	33.3	Very low	27.9	Very low	46 Å²	46	84.6 Å²	84.6	25%	0.246	44%	0.441	C	S	.	.				29.3	108.3	128.1	-40	-43.7	0	0	0	120.4	I999 F1000	I999-N2081 WeakPolarHBondContact CG2-ND2 3.31Å; F1000-N2081 PolarHBondContact O-ND2 3.29Å; F1000-N2081 VanDerWaalsContact O-ND2 3.1Å
2082	M	27.1	Very low	28.2	Very low	146 Å²	146	79.9 Å²	79.9	72%	0.719	43%	0.433	S	S	*	.				-159.4	137.4	124.7	-95.3	-178	175.3	0	0	106.1
2083	I	31.7	Very low	28.3	Very low	78 Å²	78	74.4 Å²	74.4	40%	0.4	41%	0.409	S	S	.	.				71.7	99.8	54.8	-66.3	175.2	0	0	0	109.9	N936	N936-I2083 HydrophobicContact CB-CD1 4.26Å; N936-I2083 WeakPolarHBondContact OD1-CD1 3.34Å
2084	T	28.4	Very low	28.4	Very low	93 Å²	93	77.7 Å²	77.7	57%	0.571	41%	0.409	S	S	*	.				69.8	132.6	63.9	67.9	0	0	0	0	114.8
2085	H	30.2	Very low	28.6	Very low	101 Å²	101	76.5 Å²	76.5	47%	0.468	42%	0.416	S	S	.	.			trans	75.9	121.4	169.9	-78.4	-126.8	0	0	0	114.7
2086	Q	28.5	Very low	28.5	Very low	137 Å²	137	79 Å²	79	64%	0.64	43%	0.433	S	S	*	.				69.1	153.1	91.8	-70.2	-177.8	-22.1	0	0	113.7
2087	N	25.9	Very low	28.4	Very low	114 Å²	114	83.6 Å²	83.6	61%	0.61	46%	0.461	S	S	*	.			cis	-175.9	149.8	-26.7	-167.3	11.2	0	0	0	105.2
2088	H	27.2	Very low	28.3	Very low	170 Å²	170	90.8 Å²	90.8	79%	0.787	50%	0.499	S	S	*	.			trans	65	155.6	-178.5	-42.8	-75	0	0	0	116
2089	G	26.9	Very low	28.2	Very low	62 Å²	62	95.4 Å²	95.4	64%	0.639	52%	0.524	S	S	*	.			trans	173.8	-29.3	177.1	0	0	0	0	0	118.5
2090	N	27.1	Very low	28.2	Very low	135 Å²	135	99.8 Å²	99.8	72%	0.722	55%	0.548	S	S	*	.			trans	40.6	102.3	169	-69.1	-7.3	0	0	0	118.7	K913	K913-N2090 PolarHBondContact NZ-O 3.2Å
2091	Y	25.6	Very low	28.1	Very low	163 Å²	163	103.7 Å²	103.7	64%	0.639	57%	0.569	S	S	*	*				-164.9	113.4	129.9	-85.6	-42	0	0	0	107	K913	K913-Y2091 HydrophobicContact CD-CE2 4.48Å; K913-Y2091 VanDerWaalsContact NZ-CE1 3.31Å; K913-Y2091 PolarHBondContact NZ-OH 3.11Å
2092	S	29.2	Very low	27.8	Very low	66 Å²	66	107.1 Å²	107.1	46%	0.462	59%	0.588	S	S	.	*				46.7	109.6	92.5	67.7	0	0	0	0	112.5	W1531	W1531-S2092 PolarHBondContact NE1-O 2.83Å
2093	S	26.2	Very low	27.9	Very low	60 Å²	60	104.7 Å²	104.7	42%	0.42	58%	0.58	S	S	.	*				73.7	151.7	66.6	85.4	0	0	0	0	113.7	W1531	W1531-S2093 WeakPolarHBondContact CZ2-O 3.07Å
2094	Y	26.9	Very low	27.6	Very low	112 Å²	112	106.5 Å²	106.5	44%	0.439	59%	0.592	S	S	.	*			trans	77.8	135.7	-161.3	-49.3	-80.7	0	0	0	110	W1531 Q1880 R1887	W1531-Y2094 WeakPolarHBondContact CH2-O 3.22Å; W1531-Y2094 WeakPolarHBondContact CZ2-O 3.33Å; Q1880-Y2094 VanDerWaalsContact NE2-CE1 3.33Å; R1887-Y2094 VanDerWaalsContact NH2-CA 3.34Å
2095	G	31.6	Very low	27.5	Very low	53 Å²	53	107.4 Å²	107.4	55%	0.546	59%	0.594	S	S	.	*			cis	128.1	140.5	21.9	0	0	0	0	0	107.1
2096	C	25.4	Very low	27.3	Very low	82 Å²	82	107.9 Å²	107.9	55%	0.554	60%	0.603	S	S	*	*			cis	-158.9	152	-1.7	-93.1	0	0	0	0	113.3	N1713	N1713-C2096 PolarHBondContact ND2-O 2.77Å
2097	V	26.1	Very low	27.2	Very low	98 Å²	98	105.5 Å²	105.5	59%	0.594	60%	0.6	S	S	*	*			trans	47.6	82.6	142.8	-166.1	0	0	0	0	123.8	N1713 R1714	N1713-V2097 VanDerWaalsContact CB-O 3.25Å; N1713-V2097 WeakPolarHBondContact CB-O 3.22Å; N1713-V2097 VanDerWaalsContact ND2-C 3.28Å; R1714-V2097 PolarHBondContact N-O 2.54Å; R1714-V2097 VanDerWaalsContact N-O 3.08Å
2098	L	29	Very low	27.4	Very low	151 Å²	151	104.7 Å²	104.7	79%	0.791	60%	0.599	S	S	*	*			trans	-166.1	0	137.1	-154	174.3	0	0	0	107	N1713 R1714	N1713-L2098 HydrophobicContact CB-CB 3.76Å; N1713-L2098 VanDerWaalsContact CG-N 3.27Å; N1713-L2098 PolarHBondContact ND2-N 2.85Å; N1713-L2098 WeakPolarHBondContact OD1-CB 3.31Å; R1714-L2098 HydrophobicContact CB-CB 4.26Å; R1714-L2098 HydrophobicContact CB-CD1 3.73Å; R1714-L2098 HydrophobicContact CB-CG 3.83Å; R1714-L2098 HydrophobicContact CG-CD1 3.68Å; R1714-L2098 HydrophobicContact CG-CG 4.1Å

Retrieved 2,098 of 2,098 residues in 669.9 ms (Link to these results)

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