G4M0D2_SCHMA Loading...

Arrestin_C domain-containing protein

AlphaFold DB , UniProt , Accession G4M0D2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,340 aa.

						>G4M0D2_SCHMA|G4M0D2
MEYESPMSLKIEINIENELGVFEPRDDVAGHIVIKTEEDTEIDSCILWLYGLAKTRWNTQNESCMSRPGSLASGINLSTSTTNFNKFTNTNICIAENKICKLLSNASNILKQTKSCKSYETVSPHTHLTCCTDRGYLSDTHCKSNCNYNHSSCALDHDLICETRIGESWISASGSLTSSLDAESSNKSIQNFGKLASPNTPINNNDYPLRSIQQITKTTDKIYDSTCLPNFCLEQWKRLFEIDEEKKKCIYHGDLQLIYKSKLDLLKQYNNVLSSKPMENIDQFTTNNTIETLKNDNHLNKSSNDIEYHYDKFNLNEQTNKNMPSNNTNKKYYDLLNDNNDTSEKLQPSIDKHGRTKTKFTLTRGIHVFYFEFPLPADLPSTFELPTNCLAGGASASITYAVRIELCNNRLKLRHIQQREIIVFRPLELIHFPRLRDRITLHREFVSLGCCSHPSGLILCDLAVNKTGFVPGETIIPQVHITNRSGRAIQTVHLTFAQTVFLKGINEQNHIEVLRIFATRLNAQSTLSGYNLFEQLDINKIPSVFSPSNSFSSRSSTNRFERIEQQQQQQKTHRHNNVNSKNNKQIKSQSKHKHRQKLYKNSLSTNIIAVPDQGGQAYFTDLIHVPPLPTSGLFGRQNLIYLEYSLILRLRMQGDREGKHDHCMQIPITIGSDPTRETSFIGNDEVVPCYASFDFASGDIIEYDPSNQSPSLSLTPVYRYFKPKPIEPSLNKMNHITLSSDSPSNNNNNNSSSIKSLQIINKSSPSILKQPNMINTTSTTNITMTRNNHPNSFKSMKSLSSSFCPNNEPIQQKPLDNTNSWLNNKMNDAMVTTIPLLSHSDDLKSESYSRKKSQGKTMKHSSLNKLKRQSNFQEITPVHKTDILTIMNQSPQLRLSDQQYFDDGDIILRDITIMDIENQINSLSSKLKSLKQTQSDTLNLSSAKKQNYKQQSMPTYHQKYSEKNEKTHLLSDHSSSTSLPHQQYHHDHRLQNYYRHHHHHHHHSSTSPPCLENSKLEYRCKSQANIPIHQYFNDLLLDQPFSYGENNENVKIIQNQSNDHSYCYNLDSFQANQMDYTTVIHNDGDNDDDDDDVEEVDDEEEEDNENGEEDADEDDEDDDDEEDDDGEEEEEGNIPSGSNNYDDITSDEINKCTMKSNQFHTYPCDSLKYCTDKMPIKQHEGFDHSYHTNDKVDKDSDDEDDNNDHRDNDNEIMDRINNLEDNCQIGDYEEVMLKQYDTQSKHVLSISQEDSPNENDNISSDITDLYHKVQKISDNKQISLNYRFKQSKDLYNAYWNCPKVAPIIGRKSNTDGFWTYGHGSINENINTTTNSNNTNSYTDN
					

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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	42.9	Very low	70.5	Confident	234 Å²	234	119.6 Å²	119.6	100%	1.153	60%	0.599	S	S	*	*				0	114.9	0	-66.2	171.4	-177.5	0	0	106.5
2	E	50.6	Low	72.8	Confident	191 Å²	191	113.3 Å²	113.3	89%	0.893	57%	0.567	S	S	*	*			trans	-69.7	133	160.8	-66.2	176.4	132.2	0	0	106.6	E4	E2-E4 PolarHBondContact O-N 3.09Å
3	Y	55.1	Low	74.7	Confident	227 Å²	227	105.5 Å²	105.5	89%	0.89	53%	0.527	S	S	*	.			trans	-73	111.3	164.8	-81.5	-95.3	0	0	0	106.1	S5	Y3-S5 PolarHBondContact O-N 3.07Å
4	E	58.4	Low	76.4	Confident	185 Å²	185	101.6 Å²	101.6	86%	0.864	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-50.4	117.5	166.6	-70.4	-175.3	151.2	0	0	107.4	E2 P6	E2-E4 PolarHBondContact O-N 3.09Å; E4-P6 VanDerWaalsContact O-N 3.17Å
5	S	64.9	Low	77.8	Confident	102 Å²	102	95.5 Å²	95.5	71%	0.713	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-56.9	124.9	-178.3	-175.8	0	0	0	0	108	Y3 M7	Y3-S5 PolarHBondContact O-N 3.07Å; S5-M7 PolarHBondContact O-N 3.42Å
6	P	68.9	Low	79	Confident	115 Å²	115	97.3 Å²	97.3	75%	0.747	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-57.5	121.3	-175.8	23.5	-33.3	0	0	0	108.4	E4 S8	E4-P6 VanDerWaalsContact O-N 3.17Å; P6-S8 PolarHBondContact O-N 3.34Å; P6-S8 VanDerWaalsContact O-N 3.14Å
7	M	67.7	Low	79.9	Confident	73 Å²	73	94.9 Å²	94.9	36%	0.36	48%	0.475	S	S	.	.			trans	-41.4	122	-171.4	-76.7	-177.5	162.2	0	0	110.9	S5 L9 T40 L411 L413	S5-M7 PolarHBondContact O-N 3.42Å; M7-L9 PolarHBondContact O-N 3.1Å; M7-T40 HydrophobicContact SD-CG2 4.21Å; M7-L411 HydrophobicContact CE-CD1 3.51Å; M7-L411 HydrophobicContact SD-CD1 3.84Å; M7-L413 HydrophobicContact SD-CD1 4.37Å
8	S	84.4	Confident	80.6	Confident	51 Å²	51	99.2 Å²	99.2	36%	0.357	49%	0.493	S	S	.	.			trans	-72.9	43.2	-175.9	41.1	0	0	0	0	112.9	P6 K10 E37	P6-S8 PolarHBondContact O-N 3.34Å; P6-S8 VanDerWaalsContact O-N 3.14Å; S8-K10 PolarHBondContact O-N 3.11Å; S8-K10 VanDerWaalsContact O-N 3.12Å; S8-E37 WeakPolarHBondContact CB-OE2 3.44Å; S8-E37 WeakPolarHBondContact OG-CB 3.34Å; S8-E37 WeakPolarHBondContact OG-CG 3.39Å; S8-E37 PolarHBondContact OG-OE2 3.35Å
9	L	90.9	Very high	81.2	Confident	11 Å²	11	100.4 Å²	100.4	6%	0.058	50%	0.501	C	S	.	.			trans	-74.5	90.6	177.6	-176.6	68	0	0	0	109.3	M7 I34 K35 T36 L406 L413 H415	M7-L9 PolarHBondContact O-N 3.1Å; L9-I34 HydrophobicContact CD1-CG2 3.59Å; L9-K35 WeakPolarHBondContact CA-O 3.42Å; L9-T36 HydrophobicContact CD1-CG2 3.65Å; L9-L406 HydrophobicContact CD1-CD1 4.05Å; L9-L406 HydrophobicContact CD2-CD1 3.87Å; L9-L406 HydrophobicContact CG-CD1 4.19Å; L9-L413 HydrophobicContact CD2-CD2 4.28Å; L9-H415 HydrophobicContact CD2-CB 4.02Å; L9-H415 PolarHBondContact O-CE1 3.09Å
10	K	95.2	Very high	81.8	Confident	118 Å²	118	95.7 Å²	95.7	51%	0.513	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.9	176.6	-163.4	-172.1	-175.7	-158.9	0	110.3	S8 E12 K35	S8-K10 PolarHBondContact O-N 3.11Å; S8-K10 VanDerWaalsContact O-N 3.12Å; K10-E12 WeakPolarHBondContact CD-OE1 3.49Å; K10-E12 WeakPolarHBondContact CE-OE1 3.22Å; K10-E12 IonicContact NZ-OE1 3.9Å; K10-E12 PolarHBondContact NZ-OE1 2.63Å; K10-K35 HydrophobicContact CB-CB 4.25Å; K10-K35 PolarHBondContact N-O 3.02Å; K10-K35 PolarHBondContact O-N 2.84Å
11	I	97	Very high	82.5	Confident	9 Å²	9	93.7 Å²	93.7	5%	0.046	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.4	172.7	-46.3	-178	0	0	0	110	I32 V33 I34 I404 L406 H415 Q417	I11-I32 HydrophobicContact CG2-CG2 3.58Å; I11-V33 WeakPolarHBondContact CA-O 3.46Å; I11-I34 HydrophobicContact CG2-CG1 4.36Å; I11-I404 HydrophobicContact CD1-CD1 4.46Å; I11-I404 HydrophobicContact CD1-CG2 4.24Å; I11-I404 HydrophobicContact CG2-CD1 4.27Å; I11-I404 HydrophobicContact CG2-CG2 3.77Å; I11-L406 HydrophobicContact CD1-CD1 3.43Å; I11-L406 VanDerWaalsContact CD1-CD1 3.43Å; I11-L406 HydrophobicContact CD1-CG 3.75Å; I11-L406 HydrophobicContact CG1-CD1 4.02Å; I11-H415 HydrophobicContact CD1-CB 4.32Å; I11-H415 WeakPolarHBondContact CD1-CD2 3.46Å; I11-Q417 HydrophobicContact CB-CB 4.14Å; I11-Q417 HydrophobicContact CB-CG 4.49Å; I11-Q417 HydrophobicContact CD1-CB 4.49Å; I11-Q417 HydrophobicContact CG2-CB 4.2Å; I11-Q417 HydrophobicContact CG2-CG 4.49Å
12	E	97.5	Very high	85	Confident	44 Å²	44	83.1 Å²	83.1	21%	0.206	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127	171.8	-64.2	161.8	-174.2	0	0	108.5	K10 I32 V33 K35	K10-E12 WeakPolarHBondContact CD-OE1 3.49Å; K10-E12 WeakPolarHBondContact CE-OE1 3.22Å; K10-E12 IonicContact NZ-OE1 3.9Å; K10-E12 PolarHBondContact NZ-OE1 2.63Å; E12-I32 WeakPolarHBondContact O-CA 3.31Å; E12-V33 HydrophobicContact CB-CB 4.28Å; E12-V33 PolarHBondContact N-O 3.34Å; E12-V33 PolarHBondContact O-N 3.36Å; E12-K35 IonicContact OE1-NZ 2.79Å; E12-K35 PolarHBondContact OE1-NZ 3.46Å; E12-K35 WeakPolarHBondContact OE2-CE 3.33Å; E12-K35 IonicContact OE2-NZ 2.78Å; E12-K35 PolarHBondContact OE2-NZ 2.8Å
13	I	98	Very high	87.1	Confident	11 Å²	11	78.5 Å²	78.5	6%	0.056	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	108.8	175.7	-54.2	174.7	0	0	0	108.5	I15 F371 V402 I404 Q417 R419	I13-I15 HydrophobicContact CG2-CG1 4.42Å; I13-F371 HydrophobicContact CG2-CE1 4.26Å; I13-F371 HydrophobicContact CG2-CZ 4.15Å; I13-V402 HydrophobicContact CD1-CG1 4.45Å; I13-V402 HydrophobicContact CG2-CG1 3.97Å; I13-I404 HydrophobicContact CD1-CG2 3.93Å; I13-I404 HydrophobicContact CG1-CG2 4.14Å; I13-Q417 HydrophobicContact CD1-CB 4.45Å; I13-Q417 HydrophobicContact CD1-CG 4.05Å; I13-Q417 HydrophobicContact CG1-CG 4.11Å; I13-R419 HydrophobicContact CB-CB 4.09Å; I13-R419 HydrophobicContact CD1-CB 4.21Å; I13-R419 HydrophobicContact CG2-CB 4.16Å; I13-R419 WeakPolarHBondContact O-CD 3.36Å; I13-R419 PolarHBondContact O-NH1 3.33Å
14	N	98	Very high	88.9	Confident	52 Å²	52	68.5 Å²	68.5	28%	0.278	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.9	175.2	-59.8	-24	0	0	0	109.1	G30 H31	N14-G30 CarbonylContact O-C 3.54Å; N14-G30 VanDerWaalsContact O-CA 3.24Å; N14-G30 WeakPolarHBondContact O-CA 3.28Å; N14-H31 WeakPolarHBondContact CA-O 3.2Å; N14-H31 WeakPolarHBondContact CB-NE2 3.5Å; N14-H31 WeakPolarHBondContact CB-O 3.42Å; N14-H31 PolarHBondContact N-O 3.39Å; N14-H31 PolarHBondContact ND2-NE2 3.25Å; N14-H31 PolarHBondContact O-N 2.73Å; N14-H31 VanDerWaalsContact O-O 3.1Å
15	I	97.7	Very high	90.7	Very high	9 Å²	9	68.9 Å²	68.9	5%	0.046	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.4	179.3	-62.5	-177.9	0	0	0	106.3	I13 F22 F371 V402 R419 I421	I13-I15 HydrophobicContact CG2-CG1 4.42Å; I15-F22 HydrophobicContact CG2-CE2 3.94Å; I15-F22 HydrophobicContact CG2-CZ 3.53Å; I15-F371 HydrophobicContact CG1-CZ 4.36Å; I15-V402 HydrophobicContact CD1-CG2 4.29Å; I15-R419 HydrophobicContact CD1-CG 3.92Å; I15-I421 HydrophobicContact CD1-CG2 3.46Å; I15-I421 VanDerWaalsContact CD1-CG2 3.46Å
16	E	97.1	Very high	92.2	Very high	125 Å²	125	67.2 Å²	67.2	58%	0.584	34%	0.337	S	S	*	.	S	Bend	trans	-69.9	-36.6	-172.3	-71.3	-176.8	-175.5	0	0	112.7	E18 A29	E16-E18 PolarHBondContact O-N 3Å; E16-A29 HydrophobicContact CB-CB 4.39Å; E16-A29 HydrophobicContact CG-CB 4.28Å; E16-A29 PolarHBondContact N-O 2.68Å
17	N	94.7	Very high	93.5	Very high	57 Å²	57	65.6 Å²	65.6	31%	0.305	32%	0.321	S	S	.	.	S	Bend	trans	-75.4	104.9	158.9	-171.5	-4.7	0	0	0	109.3	L19 G20 V21 F22	N17-L19 PolarHBondContact O-N 3.14Å; N17-L19 WeakPolarHBondContact OD1-CB 3.48Å; N17-L19 PolarHBondContact OD1-N 3.03Å; N17-L19 VanDerWaalsContact OD1-N 3.08Å; N17-G20 PolarHBondContact O-N 3.29Å; N17-V21 PolarHBondContact ND2-O 3.18Å; N17-F22 HydrophobicContact CB-CE1 4.2Å; N17-F22 HydrophobicContact CB-CZ 3.99Å
18	E	92	Very high	95	Very high	171 Å²	171	62.1 Å²	62.1	80%	0.799	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.7	178.9	-63.4	-168.6	158	0	0	112.6	E16 G20 R419	E16-E18 PolarHBondContact O-N 3Å; E18-G20 VanDerWaalsContact C-N 3.26Å; E18-G20 PolarHBondContact O-N 3.44Å; E18-R419 PolarHBondContact O-NH2 2.84Å
19	L	91.7	Very high	95.6	Very high	123 Å²	123	60.5 Å²	60.5	64%	0.644	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.4	176.5	-55.6	176.3	0	0	0	113	N17 V21	N17-L19 PolarHBondContact O-N 3.14Å; N17-L19 WeakPolarHBondContact OD1-CB 3.48Å; N17-L19 PolarHBondContact OD1-N 3.03Å; N17-L19 VanDerWaalsContact OD1-N 3.08Å; L19-V21 HydrophobicContact CB-CG2 4.15Å; L19-V21 PolarHBondContact O-N 2.94Å
20	G	94.3	Very high	95.9	Very high	5 Å²	5	60 Å²	60	5%	0.052	29%	0.291	C	S	.	.			trans	66.2	18.5	-176.7	0	0	0	0	0	115.1	N17 E18 F22 I421 I422	N17-G20 PolarHBondContact O-N 3.29Å; E18-G20 VanDerWaalsContact C-N 3.26Å; E18-G20 PolarHBondContact O-N 3.44Å; G20-F22 WeakPolarHBondContact O-CD2 3.24Å; G20-I421 WeakPolarHBondContact O-CA 3.25Å; G20-I421 WeakPolarHBondContact O-CB 3.32Å; G20-I422 PolarHBondContact O-N 3.11Å
21	V	95.2	Very high	96.1	Very high	54 Å²	54	56.8 Å²	56.8	33%	0.327	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.9	178.3	-174.4	0	0	0	0	110.2	N17 L19 I422 F424	N17-V21 PolarHBondContact ND2-O 3.18Å; L19-V21 HydrophobicContact CB-CG2 4.15Å; L19-V21 PolarHBondContact O-N 2.94Å; V21-I422 CarbonylContact C-O 3.57Å; V21-I422 VanDerWaalsContact CA-O 3.28Å; V21-I422 WeakPolarHBondContact CA-O 3.12Å; V21-I422 HydrophobicContact CG1-CG2 4.47Å; V21-I422 HydrophobicContact CG2-CB 4.26Å; V21-I422 HydrophobicContact CG2-CD1 4.48Å; V21-F424 HydrophobicContact CG1-CB 4.32Å
22	F	96.2	Very high	96.1	Very high	12 Å²	12	56.4 Å²	56.4	5%	0.053	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	146.2	-176.5	-64.2	-84.3	0	0	0	111.6	I15 N17 G20 D26 V28 L375 I421 I422 V423 F424	I15-F22 HydrophobicContact CG2-CE2 3.94Å; I15-F22 HydrophobicContact CG2-CZ 3.53Å; N17-F22 HydrophobicContact CB-CE1 4.2Å; N17-F22 HydrophobicContact CB-CZ 3.99Å; G20-F22 WeakPolarHBondContact O-CD2 3.24Å; F22-D26 WeakPolarHBondContact CA-OD2 3.12Å; F22-D26 HydrophobicContact CB-CB 4.17Å; F22-D26 HydrophobicContact CD1-CB 3.96Å; F22-V28 HydrophobicContact CD1-CG2 4.01Å; F22-V28 HydrophobicContact CD2-CG2 4.02Å; F22-V28 HydrophobicContact CE1-CB 4.34Å; F22-V28 HydrophobicContact CE1-CG1 4.5Å; F22-V28 HydrophobicContact CE1-CG2 4.09Å; F22-V28 HydrophobicContact CE2-CG1 4.02Å; F22-V28 HydrophobicContact CE2-CG2 4.1Å; F22-V28 HydrophobicContact CG-CG2 3.97Å; F22-V28 HydrophobicContact CZ-CB 4.24Å; F22-V28 HydrophobicContact CZ-CG1 3.91Å; F22-V28 HydrophobicContact CZ-CG2 4.13Å; F22-L375 HydrophobicContact CB-CD1 3.53Å; F22-L375 HydrophobicContact CG-CD1 4.29Å; F22-I421 HydrophobicContact CD2-CB 4.22Å; F22-I421 HydrophobicContact CD2-CD1 4.16Å; F22-I421 HydrophobicContact CE2-CB 4.29Å; F22-I421 HydrophobicContact CE2-CD1 4.48Å; F22-I421 HydrophobicContact CE2-CG2 4.13Å; F22-I422 PolarHBondContact N-O 3.5Å; F22-V423 CarbonylContact O-C 3.59Å; F22-V423 VanDerWaalsContact O-CA 3.24Å; F22-V423 WeakPolarHBondContact O-CA 3.44Å; F22-F424 PolarHBondContact O-N 2.98Å
23	E	94.7	Very high	96.1	Very high	94 Å²	94	54.9 Å²	54.9	44%	0.439	27%	0.27	S	S	.	.			trans	-91.6	155.6	170.4	-62.3	-170.5	-168.3	0	0	111.8	R25 D26 L375 F424	E23-R25 PolarHBondContact O-N 3.12Å; E23-D26 PolarHBondContact N-OD2 3.15Å; E23-D26 VanDerWaalsContact O-CB 3.32Å; E23-D26 WeakPolarHBondContact O-CB 3.36Å; E23-D26 PolarHBondContact O-N 2.73Å; E23-L375 WeakPolarHBondContact O-CD1 3.4Å; E23-F424 WeakPolarHBondContact CA-O 3.35Å
24	P	93.1	Very high	96.1	Very high	17 Å²	17	54.4 Å²	54.4	11%	0.11	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	127.5	167.4	-23.2	33.7	0	0	0	110.5	P376 L379 V423 F424 R425	P24-P376 WeakPolarHBondContact CB-O 3.29Å; P24-L379 HydrophobicContact CG-CB 4.45Å; P24-V423 HydrophobicContact CG-CG1 4.16Å; P24-F424 VanDerWaalsContact CD-O 3.3Å; P24-F424 WeakPolarHBondContact CD-O 3.47Å; P24-R425 HydrophobicContact CG-CB 3.76Å; P24-R425 HydrophobicContact CG-CG 3.95Å
25	R	95.1	Very high	96	Very high	194 Å²	194	54.9 Å²	54.9	73%	0.732	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-12.5	-166.7	-55.2	168.4	-173.4	154.9	6.4	116.6	E23 L375 A377	E23-R25 PolarHBondContact O-N 3.12Å; R25-L375 WeakPolarHBondContact CA-O 3.17Å; R25-L375 PolarHBondContact N-O 2.84Å; R25-A377 HydrophobicContact CG-CB 3.63Å
26	D	96.7	Very high	95.9	Very high	67 Å²	67	54.8 Å²	54.8	36%	0.358	27%	0.267	S	S	.	.			trans	-68.8	154.1	174.9	-75.1	-7.9	0	0	0	112.5	F22 E23 L375	F22-D26 WeakPolarHBondContact CA-OD2 3.12Å; F22-D26 HydrophobicContact CB-CB 4.17Å; F22-D26 HydrophobicContact CD1-CB 3.96Å; E23-D26 PolarHBondContact N-OD2 3.15Å; E23-D26 VanDerWaalsContact O-CB 3.32Å; E23-D26 WeakPolarHBondContact O-CB 3.36Å; E23-D26 PolarHBondContact O-N 2.73Å; D26-L375 HydrophobicContact CB-CD1 4.5Å; D26-L375 WeakPolarHBondContact O-CB 3.38Å; D26-L375 WeakPolarHBondContact O-CG 3.48Å; D26-L375 PolarHBondContact O-N 2.81Å
27	D	97.2	Very high	95.8	Very high	80 Å²	80	55.7 Å²	55.7	43%	0.428	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-92.1	116.2	171	-72.3	-64.3	0	0	0	111.1	A29 E372 P374	D27-A29 PolarHBondContact O-N 2.98Å; D27-E372 HydrophobicContact CB-CG 4.3Å; D27-P374 WeakPolarHBondContact OD1-CA 3.23Å; D27-P374 WeakPolarHBondContact OD1-CB 3.38Å
28	V	97.6	Very high	95.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.287	C	S	.	.			trans	-77.3	78.9	173	-175.6	0	0	0	0	109	F22 L49 F373 L375 V402 I421	F22-V28 HydrophobicContact CD1-CG2 4.01Å; F22-V28 HydrophobicContact CD2-CG2 4.02Å; F22-V28 HydrophobicContact CE1-CB 4.34Å; F22-V28 HydrophobicContact CE1-CG1 4.5Å; F22-V28 HydrophobicContact CE1-CG2 4.09Å; F22-V28 HydrophobicContact CE2-CG1 4.02Å; F22-V28 HydrophobicContact CE2-CG2 4.1Å; F22-V28 HydrophobicContact CG-CG2 3.97Å; F22-V28 HydrophobicContact CZ-CB 4.24Å; F22-V28 HydrophobicContact CZ-CG1 3.91Å; F22-V28 HydrophobicContact CZ-CG2 4.13Å; V28-L49 HydrophobicContact CB-CD2 4.23Å; V28-L49 HydrophobicContact CG2-CD2 4.13Å; V28-F373 HydrophobicContact CB-CB 4.4Å; V28-F373 PolarHBondContact N-O 2.9Å; V28-F373 PolarHBondContact O-N 2.83Å; V28-L375 HydrophobicContact CG2-CD1 3.91Å; V28-L375 HydrophobicContact CG2-CD2 3.77Å; V28-L375 HydrophobicContact CG2-CG 3.78Å; V28-V402 HydrophobicContact CG1-CG2 4.1Å; V28-I421 HydrophobicContact CG1-CD1 4.22Å; V28-I421 HydrophobicContact CG2-CD1 3.85Å
29	A	97.9	Very high	95.9	Very high	17 Å²	17	55.9 Å²	55.9	14%	0.14	27%	0.273	C	S	.	.			trans	-81.3	149	175.8	0	0	0	0	0	112.5	E16 D27 F371	E16-A29 HydrophobicContact CB-CB 4.39Å; E16-A29 HydrophobicContact CG-CB 4.28Å; E16-A29 PolarHBondContact N-O 2.68Å; D27-A29 PolarHBondContact O-N 2.98Å; A29-F371 WeakPolarHBondContact CA-O 3.19Å
30	G	97.7	Very high	96	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-177.7	-177.1	0	0	0	0	0	114.6	N14 Y370 F371	N14-G30 CarbonylContact O-C 3.54Å; N14-G30 VanDerWaalsContact O-CA 3.24Å; N14-G30 WeakPolarHBondContact O-CA 3.28Å; G30-Y370 WeakPolarHBondContact O-CA 3.18Å; G30-F371 VanDerWaalsContact C-CE1 3.41Å; G30-F371 PolarHBondContact N-O 3.22Å; G30-F371 PolarHBondContact O-N 3.06Å
31	H	97.8	Very high	96	Very high	52 Å²	52	52.3 Å²	52.3	24%	0.241	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	142.4	172.1	63.8	-87	0	0	0	111.8	N14 V368 F369 Y370	N14-H31 WeakPolarHBondContact CA-O 3.2Å; N14-H31 WeakPolarHBondContact CB-NE2 3.5Å; N14-H31 WeakPolarHBondContact CB-O 3.42Å; N14-H31 PolarHBondContact N-O 3.39Å; N14-H31 PolarHBondContact ND2-NE2 3.25Å; N14-H31 PolarHBondContact O-N 2.73Å; N14-H31 VanDerWaalsContact O-O 3.1Å; H31-V368 HydrophobicContact CB-CG1 3.86Å; H31-F369 CarbonylContact C-O 3.56Å; H31-F369 WeakPolarHBondContact CA-O 3.44Å; H31-Y370 HydrophobicContact CB-CD1 3.75Å; H31-Y370 HydrophobicContact CB-CE1 3.9Å; H31-Y370 HydrophobicContact CB-CG 4.25Å
32	I	97.9	Very high	95.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.9	176.5	-53.5	-173.8	0	0	0	109	I11 E12 I34 L47 L265 V368 F369 F371 I404	I11-I32 HydrophobicContact CG2-CG2 3.58Å; E12-I32 WeakPolarHBondContact O-CA 3.31Å; I32-I34 HydrophobicContact CG2-CG1 4.1Å; I32-L47 HydrophobicContact CD1-CD1 3.53Å; I32-L47 HydrophobicContact CD1-CD2 3.89Å; I32-L47 HydrophobicContact CD1-CG 4.21Å; I32-L265 HydrophobicContact CD1-CD1 4Å; I32-V368 WeakPolarHBondContact O-CA 3.27Å; I32-F369 PolarHBondContact N-O 2.86Å; I32-F369 PolarHBondContact O-N 2.83Å; I32-F371 HydrophobicContact CD1-CD1 4.29Å; I32-F371 HydrophobicContact CD1-CE1 4.32Å; I32-F371 HydrophobicContact CG1-CD1 3.79Å; I32-F371 HydrophobicContact CG1-CE1 3.68Å; I32-I404 HydrophobicContact CD1-CB 3.98Å; I32-I404 HydrophobicContact CD1-CD1 3.84Å; I32-I404 HydrophobicContact CD1-CG1 4.35Å; I32-I404 HydrophobicContact CD1-CG2 4.42Å; I32-I404 HydrophobicContact CG2-CD1 3.84Å
33	V	97.7	Very high	95.8	Very high	13 Å²	13	52.3 Å²	52.3	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.4	175.2	-169.8	0	0	0	0	108.4	I11 E12 K35 I366 H367	I11-V33 WeakPolarHBondContact CA-O 3.46Å; E12-V33 HydrophobicContact CB-CB 4.28Å; E12-V33 PolarHBondContact N-O 3.34Å; E12-V33 PolarHBondContact O-N 3.36Å; V33-K35 HydrophobicContact CG1-CD 4.47Å; V33-K35 VanDerWaalsContact CG1-CE 3.47Å; V33-K35 HydrophobicContact CG1-CG 4.05Å; V33-I366 HydrophobicContact CG1-CG2 3.41Å; V33-I366 VanDerWaalsContact CG1-CG2 3.41Å; V33-H367 CarbonylContact C-O 3.45Å; V33-H367 WeakPolarHBondContact CA-O 3.5Å
34	I	97.5	Very high	95.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.1	173.8	-56.4	171.2	0	0	0	107.6	L9 I11 I32 T36 L362 H367 F369 I404 L406	L9-I34 HydrophobicContact CD1-CG2 3.59Å; I11-I34 HydrophobicContact CG2-CG1 4.36Å; I32-I34 HydrophobicContact CG2-CG1 4.1Å; I34-T36 HydrophobicContact CG2-CG2 4.28Å; I34-L362 HydrophobicContact CB-CD1 4.4Å; I34-L362 HydrophobicContact CD1-CD1 4.49Å; I34-L362 HydrophobicContact CG2-CD1 3.7Å; I34-H367 HydrophobicContact CB-CB 4.5Å; I34-H367 PolarHBondContact N-O 3.03Å; I34-H367 PolarHBondContact O-N 2.88Å; I34-F369 HydrophobicContact CD1-CD2 3.93Å; I34-F369 HydrophobicContact CD1-CE2 3.84Å; I34-F369 HydrophobicContact CG1-CD2 4.47Å; I34-I404 HydrophobicContact CD1-CD1 4.14Å; I34-L406 HydrophobicContact CD1-CD1 3.98Å; I34-L406 HydrophobicContact CD1-CD2 3.99Å; I34-L406 HydrophobicContact CG1-CD1 4.48Å; I34-L406 HydrophobicContact CG2-CD1 4.18Å
35	K	96.9	Very high	96	Very high	62 Å²	62	48.4 Å²	48.4	27%	0.27	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.9	178.8	-51.9	178.9	-174.9	163.1	0	108.3	L9 K10 E12 V33 I366	L9-K35 WeakPolarHBondContact CA-O 3.42Å; K10-K35 HydrophobicContact CB-CB 4.25Å; K10-K35 PolarHBondContact N-O 3.02Å; K10-K35 PolarHBondContact O-N 2.84Å; E12-K35 IonicContact OE1-NZ 2.79Å; E12-K35 PolarHBondContact OE1-NZ 3.46Å; E12-K35 WeakPolarHBondContact OE2-CE 3.33Å; E12-K35 IonicContact OE2-NZ 2.78Å; E12-K35 PolarHBondContact OE2-NZ 2.8Å; V33-K35 HydrophobicContact CG1-CD 4.47Å; V33-K35 VanDerWaalsContact CG1-CE 3.47Å; V33-K35 HydrophobicContact CG1-CG 4.05Å; K35-I366 HydrophobicContact CG-CG1 4.15Å; K35-I366 HydrophobicContact CG-CG2 4.26Å
36	T	95.5	Very high	96.1	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.6	-176.4	45.5	0	0	0	0	108.7	L9 I34 L362 T363 R364 G365	L9-T36 HydrophobicContact CD1-CG2 3.65Å; I34-T36 HydrophobicContact CG2-CG2 4.28Å; T36-L362 HydrophobicContact CG2-CB 4.2Å; T36-L362 HydrophobicContact CG2-CD1 4.03Å; T36-T363 PolarHBondContact OG1-O 2.94Å; T36-R364 CarbonylContact O-C 3.53Å; T36-R364 WeakPolarHBondContact O-CA 3.46Å; T36-G365 PolarHBondContact N-O 3.02Å; T36-G365 PolarHBondContact O-N 2.88Å; T36-G365 PolarHBondContact OG1-O 3.05Å
37	E	94.7	Very high	96.2	Very high	144 Å²	144	37 Å²	37	67%	0.673	19%	0.188	S	C	*	.	S	Bend	trans	-82.1	-21.4	175.8	-62.1	179.3	161.4	0	0	112	S8 R364	S8-E37 WeakPolarHBondContact CB-OE2 3.44Å; S8-E37 WeakPolarHBondContact OG-CB 3.34Å; S8-E37 WeakPolarHBondContact OG-CG 3.39Å; S8-E37 PolarHBondContact OG-OE2 3.35Å; E37-R364 VanDerWaalsContact O-CB 3.24Å; E37-R364 WeakPolarHBondContact O-CB 3.48Å
38	E	93.9	Very high	96.2	Very high	137 Å²	137	34.9 Å²	34.9	64%	0.64	17%	0.174	S	C	*	.	S	Bend	trans	-131	159.5	-179.9	-60.5	-170.4	163.6	0	0	112.6	T40	E38-T40 PolarHBondContact O-N 3.09Å; E38-T40 PolarHBondContact O-OG1 2.98Å
39	D	94.7	Very high	96.2	Very high	96 Å²	96	34.9 Å²	34.9	51%	0.513	17%	0.174	S	C	.	.			trans	-67.4	101.3	180	-78	19.2	0	0	0	111.1	T361 L362 T363 R364	D39-T361 HydrophobicContact CB-CG2 4.06Å; D39-L362 CarbonylContact C-O 3.57Å; D39-L362 WeakPolarHBondContact CA-O 3.5Å; D39-T363 WeakPolarHBondContact OD1-CA 3.39Å; D39-R364 PolarHBondContact OD1-N 2.78Å
40	T	93.5	Very high	96.1	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.6	-167.8	-55.7	0	0	0	0	111.4	M7 E38 I42 T361 L362	M7-T40 HydrophobicContact SD-CG2 4.21Å; E38-T40 PolarHBondContact O-N 3.09Å; E38-T40 PolarHBondContact O-OG1 2.98Å; T40-I42 HydrophobicContact CG2-CD1 4.48Å; T40-I42 HydrophobicContact CG2-CG1 4.1Å; T40-T361 WeakPolarHBondContact O-CA 3.42Å; T40-L362 PolarHBondContact N-O 3.12Å; T40-L362 PolarHBondContact O-N 2.99Å
41	E	93.4	Very high	96.1	Very high	44 Å²	44	34.2 Å²	34.2	21%	0.206	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	134	167.6	-68	-171.1	151.8	0	0	110.5	K359 N408 R410	E41-K359 HydrophobicContact CG-CD 4.42Å; E41-K359 VanDerWaalsContact OE1-CD 3.24Å; E41-K359 WeakPolarHBondContact OE1-CD 3.37Å; E41-K359 IonicContact OE1-NZ 2.68Å; E41-K359 PolarHBondContact OE1-NZ 2.95Å; E41-K359 IonicContact OE2-NZ 2.73Å; E41-K359 PolarHBondContact OE2-NZ 3.25Å; E41-N408 PolarHBondContact O-ND2 3.1Å; E41-R410 IonicContact OE1-NH1 3.72Å; E41-R410 PolarHBondContact OE1-NH1 2.98Å; E41-R410 WeakPolarHBondContact OE2-CD 3.44Å; E41-R410 IonicContact OE2-CZ 3.25Å; E41-R410 IonicContact OE2-NE 2.78Å; E41-R410 IonicContact OE2-NH1 3.71Å; E41-R410 PolarHBondContact OE2-NH1 3Å
42	I	94.9	Very high	96	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.036	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136	174.8	-61.8	-169.9	0	0	0	109.6	T40 S44 L266 F360 L362 L406	T40-I42 HydrophobicContact CG2-CD1 4.48Å; T40-I42 HydrophobicContact CG2-CG1 4.1Å; I42-S44 WeakPolarHBondContact CG2-O 3.32Å; I42-L266 HydrophobicContact CG2-CD1 4.28Å; I42-F360 PolarHBondContact N-O 3.25Å; I42-F360 PolarHBondContact O-N 2.8Å; I42-L362 HydrophobicContact CD1-CD1 3.48Å; I42-L362 VanDerWaalsContact CD1-CD1 3.48Å; I42-L362 HydrophobicContact CD1-CG 3.89Å; I42-L406 HydrophobicContact CD1-CD1 4.17Å; I42-L406 HydrophobicContact CD1-CD2 4.24Å
43	D	94.1	Very high	95.9	Very high	59 Å²	59	32.4 Å²	32.4	32%	0.316	16%	0.16	S	C	.	.	S	Bend	trans	-91.6	-32.7	177	-74.8	-104	0	0	0	112.7	C407 N409	D43-C407 PolarHBondContact N-O 3.13Å; D43-N409 WeakPolarHBondContact CB-ND2 3.43Å; D43-N409 PolarHBondContact OD1-ND2 3.4Å; D43-N409 WeakPolarHBondContact OD2-CB 3.14Å; D43-N409 PolarHBondContact OD2-N 3.26Å
44	S	94.6	Very high	95.7	Very high	27 Å²	27	36.5 Å²	36.5	19%	0.189	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	136.3	174.4	63.5	0	0	0	0	112.7	I42 C407	I42-S44 WeakPolarHBondContact CG2-O 3.32Å; S44-C407 PolarHBondContact N-O 2.95Å; S44-C407 PolarHBondContact O-N 3.04Å
45	C	96.4	Very high	95.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	107.2	162.7	179.4	0	0	0	0	107.8	L265 L266 L406	C45-L265 HydrophobicContact CB-CB 4.4Å; C45-L265 PolarHBondContact O-N 2.97Å; C45-L265 VanDerWaalsContact O-N 3.12Å; C45-L266 HydrophobicContact CB-CD1 4.35Å; C45-L266 HydrophobicContact CB-CD2 3.62Å; C45-L266 HydrophobicContact CB-CG 3.69Å; C45-L406 HydrophobicContact CB-CD2 3.5Å; C45-L406 WeakPolarHBondContact SG-CD2 3.49Å
46	I	97.4	Very high	95.2	Very high	22 Å²	22	37.7 Å²	37.7	11%	0.113	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.4	-176.7	-68	166.4	0	0	0	108.5	W48 K262 I404 E405	I46-W48 HydrophobicContact CG2-CD2 3.99Å; I46-W48 HydrophobicContact CG2-CG 4.28Å; I46-W48 HydrophobicContact CG2-CZ2 3.93Å; I46-K262 HydrophobicContact CG2-CD 4.34Å; I46-K262 HydrophobicContact CG2-CG 4.03Å; I46-I404 CarbonylContact O-C 3.47Å; I46-I404 WeakPolarHBondContact O-CA 3.43Å; I46-E405 PolarHBondContact N-O 3.04Å; I46-E405 PolarHBondContact O-N 3.08Å
47	L	98	Very high	94.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.1	169.3	-174.2	60.3	0	0	0	109.5	I32 K262 L263 L265 F371 F373 V402 I404	I32-L47 HydrophobicContact CD1-CD1 3.53Å; I32-L47 HydrophobicContact CD1-CD2 3.89Å; I32-L47 HydrophobicContact CD1-CG 4.21Å; L47-K262 WeakPolarHBondContact O-CA 3.3Å; L47-L263 HydrophobicContact CB-CB 4.3Å; L47-L263 PolarHBondContact N-O 2.89Å; L47-L263 PolarHBondContact O-N 2.98Å; L47-L265 HydrophobicContact CB-CD1 4.09Å; L47-L265 HydrophobicContact CB-CG 4.3Å; L47-F371 HydrophobicContact CD2-CB 3.48Å; L47-F371 VanDerWaalsContact CD2-CB 3.48Å; L47-F371 HydrophobicContact CD2-CD1 3.66Å; L47-F371 HydrophobicContact CD2-CD2 3.75Å; L47-F371 HydrophobicContact CD2-CE1 4.28Å; L47-F371 HydrophobicContact CD2-CE2 4.36Å; L47-F371 HydrophobicContact CD2-CG 3.34Å; L47-F373 HydrophobicContact CB-CZ 4.38Å; L47-F373 HydrophobicContact CD2-CE2 3.59Å; L47-F373 HydrophobicContact CD2-CZ 3.93Å; L47-F373 HydrophobicContact CG-CE2 3.79Å; L47-F373 HydrophobicContact CG-CZ 3.85Å; L47-V402 HydrophobicContact CD1-CG1 3.5Å; L47-V402 VanDerWaalsContact CD1-CG1 3.5Å; L47-V402 HydrophobicContact CD2-CG1 4.43Å; L47-V402 HydrophobicContact CG-CG1 4.24Å; L47-I404 HydrophobicContact CD1-CB 4.03Å
48	W	97.6	Very high	94.3	Very high	35 Å²	35	33.5 Å²	33.5	13%	0.133	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142	171.2	-53.2	100.8	0	0	0	109.3	I46 Y50 K260 S261 K262 V402 R403 E405	I46-W48 HydrophobicContact CG2-CD2 3.99Å; I46-W48 HydrophobicContact CG2-CG 4.28Å; I46-W48 HydrophobicContact CG2-CZ2 3.93Å; W48-Y50 HydrophobicContact CB-CD1 4.42Å; W48-K260 HydrophobicContact CE3-CD 4.44Å; W48-K260 HydrophobicContact CE3-CG 4.26Å; W48-K260 HydrophobicContact CZ3-CD 4.29Å; W48-K260 HydrophobicContact CZ3-CG 4.48Å; W48-S261 WeakPolarHBondContact CA-O 3.48Å; W48-K262 HydrophobicContact CD2-CG 4.2Å; W48-K262 HydrophobicContact CE3-CB 3.61Å; W48-K262 HydrophobicContact CE3-CD 4.1Å; W48-K262 HydrophobicContact CE3-CG 3.54Å; W48-K262 HydrophobicContact CH2-CD 3.57Å; W48-K262 HydrophobicContact CH2-CG 3.98Å; W48-K262 HydrophobicContact CZ2-CD 4.3Å; W48-K262 HydrophobicContact CZ3-CB 3.55Å; W48-K262 HydrophobicContact CZ3-CD 3.42Å; W48-K262 VanDerWaalsContact CZ3-CD 3.42Å; W48-K262 HydrophobicContact CZ3-CG 3.4Å; W48-K262 VanDerWaalsContact CZ3-CG 3.4Å; W48-V402 CarbonylContact O-C 3.54Å; W48-V402 WeakPolarHBondContact O-CA 3.3Å; W48-R403 PolarHBondContact N-O 3.09Å; W48-R403 PolarHBondContact O-N 2.99Å; W48-E405 PolarHBondContact NE1-OE2 3.22Å
49	L	97.6	Very high	93.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.7	156.5	169.5	59.9	0	0	0	106.7	V28 Y259 K260 S261 F373 L375 A401 V402 I421	V28-L49 HydrophobicContact CB-CD2 4.23Å; V28-L49 HydrophobicContact CG2-CD2 4.13Å; L49-Y259 HydrophobicContact CD2-CE1 3.86Å; L49-Y259 HydrophobicContact CG-CD1 4.42Å; L49-Y259 HydrophobicContact CG-CE1 3.99Å; L49-K260 CarbonylContact O-C 3.59Å; L49-K260 WeakPolarHBondContact O-CA 3.2Å; L49-S261 PolarHBondContact N-O 3.48Å; L49-S261 PolarHBondContact O-N 2.9Å; L49-F373 HydrophobicContact CB-CD1 4.37Å; L49-F373 HydrophobicContact CB-CD2 3.73Å; L49-F373 HydrophobicContact CB-CE1 4.45Å; L49-F373 HydrophobicContact CB-CE2 3.83Å; L49-F373 HydrophobicContact CB-CG 4.01Å; L49-F373 HydrophobicContact CB-CZ 4.19Å; L49-F373 HydrophobicContact CD2-CB 3.49Å; L49-F373 VanDerWaalsContact CD2-CB 3.49Å; L49-F373 HydrophobicContact CD2-CD2 3.98Å; L49-F373 HydrophobicContact CD2-CG 3.88Å; L49-L375 HydrophobicContact CD2-CD2 3.83Å; L49-A401 WeakPolarHBondContact CA-O 3.28Å; L49-V402 HydrophobicContact CD1-CG2 3.97Å; L49-I421 HydrophobicContact CD1-CD1 3.72Å
50	Y	96.9	Very high	91.9	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	162.4	179.6	64	-100	0	0	0	112.8	W48 L52 W236 F240 Y259 Y400 A401 R403 Q418	W48-Y50 HydrophobicContact CB-CD1 4.42Å; Y50-L52 HydrophobicContact CD2-CD1 4Å; Y50-L52 HydrophobicContact CD2-CG 3.88Å; Y50-L52 HydrophobicContact CE2-CD1 3.65Å; Y50-L52 HydrophobicContact CE2-CG 4.05Å; Y50-W236 AromaticContact CD1-CH2 3.72Å; Y50-W236 HydrophobicContact CD1-CH2 3.72Å; Y50-W236 HydrophobicContact CD1-CZ3 4.4Å; Y50-W236 HydrophobicContact CE1-CH2 4.23Å; Y50-W236 HydrophobicContact CE1-CZ3 4.49Å; Y50-W236 AromaticContact CG-CH2 3.92Å; Y50-W236 HydrophobicContact CG-CH2 3.92Å; Y50-F240 HydrophobicContact CE1-CZ 4.49Å; Y50-F240 AromaticContact CE2-CZ 3.98Å; Y50-F240 HydrophobicContact CE2-CZ 3.98Å; Y50-F240 AromaticContact CZ-CZ 3.79Å; Y50-Y259 CarbonylContact C-O 3.58Å; Y50-Y259 WeakPolarHBondContact CA-O 3.39Å; Y50-Y259 VanDerWaalsContact CB-O 3.31Å; Y50-Y259 WeakPolarHBondContact CB-O 3.31Å; Y50-Y400 VanDerWaalsContact O-CA 3.3Å; Y50-Y400 WeakPolarHBondContact O-CA 3.46Å; Y50-A401 HydrophobicContact CE1-CB 4.29Å; Y50-A401 HydrophobicContact CE2-CB 4.07Å; Y50-A401 PolarHBondContact N-O 2.81Å; Y50-A401 PolarHBondContact O-N 3.44Å; Y50-R403 HydrophobicContact CE1-CB 3.79Å; Y50-Q418 VanDerWaalsContact OH-CD 3.27Å; Y50-Q418 PolarHBondContact OH-NE2 2.82Å; Y50-Q418 PolarHBondContact OH-OE1 2.78Å
51	G	97	Very high	90.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.3	169	0	0	0	0	0	110.7	I258 Y259 T399	G51-I258 PolarHBondContact O-N 2.91Å; G51-Y259 PolarHBondContact N-O 2.78Å; G51-Y259 PolarHBondContact O-N 2.99Å; G51-T399 CarbonylContact C-O 3.6Å; G51-T399 WeakPolarHBondContact CA-O 3.34Å
52	L	95.5	Very high	88.2	Confident	15 Å²	15	38.4 Å²	38.4	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.8	-179.4	-65.9	167.9	0	0	0	109.9	Y50 F240 L255 Q256 L257 I398 T399	Y50-L52 HydrophobicContact CD2-CD1 4Å; Y50-L52 HydrophobicContact CD2-CG 3.88Å; Y50-L52 HydrophobicContact CE2-CD1 3.65Å; Y50-L52 HydrophobicContact CE2-CG 4.05Å; L52-F240 HydrophobicContact CD1-CE1 4.34Å; L52-F240 HydrophobicContact CD1-CE2 3.69Å; L52-F240 HydrophobicContact CD1-CZ 3.57Å; L52-L255 HydrophobicContact CB-CD1 4.3Å; L52-L255 HydrophobicContact CD1-CD1 4.47Å; L52-L255 HydrophobicContact CD2-CD1 4.24Å; L52-L255 HydrophobicContact CD2-CG 4.45Å; L52-Q256 WeakPolarHBondContact CA-O 3.41Å; L52-L257 HydrophobicContact CD2-CB 4.48Å; L52-L257 HydrophobicContact CD2-CD1 3.8Å; L52-I398 CarbonylContact O-C 3.56Å; L52-I398 VanDerWaalsContact O-CA 3.29Å; L52-I398 WeakPolarHBondContact O-CA 3.35Å; L52-T399 PolarHBondContact N-O 2.87Å; L52-T399 PolarHBondContact O-N 2.8Å
53	A	95.3	Very high	86.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133	160.1	0	0	0	0	0	107.5	L255 Q256 I258 S397 I398 Q637 L639	A53-L255 CarbonylContact O-C 3.59Å; A53-L255 WeakPolarHBondContact O-CA 3.45Å; A53-Q256 HydrophobicContact CB-CB 4.38Å; A53-Q256 PolarHBondContact N-O 2.83Å; A53-Q256 PolarHBondContact O-N 3.21Å; A53-I258 HydrophobicContact CB-CD1 3.78Å; A53-I258 HydrophobicContact CB-CG1 3.95Å; A53-S397 CarbonylContact C-O 3.51Å; A53-S397 WeakPolarHBondContact CA-O 3.33Å; A53-I398 HydrophobicContact CB-CG1 4.35Å; A53-Q637 HydrophobicContact CB-CB 3.98Å; A53-Q637 HydrophobicContact CB-CG 4.4Å; A53-L639 HydrophobicContact CB-CB 4.38Å; A53-L639 HydrophobicContact CB-CD1 4.03Å; A53-L639 HydrophobicContact CB-CG 4.48Å
54	K	94	Very high	84.1	Confident	98 Å²	98	43.5 Å²	43.5	43%	0.426	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.9	-179.5	-177.8	-174.7	174.8	-169.4	0	108.9	D254 L255 A396 S397	K54-D254 WeakPolarHBondContact CA-O 3.39Å; K54-L255 HydrophobicContact CB-CD1 3.91Å; K54-L255 HydrophobicContact CG-CD1 4.13Å; K54-A396 CarbonylContact O-C 3.55Å; K54-A396 WeakPolarHBondContact O-CA 3.4Å; K54-S397 PolarHBondContact N-O 3.23Å; K54-S397 PolarHBondContact O-N 2.95Å
55	T	93.3	Very high	81.9	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151	168.2	56.6	0	0	0	0	109.7	G253 D254 S395 A396 L502 K503 L639 I640	T55-G253 WeakPolarHBondContact O-CA 3.21Å; T55-D254 PolarHBondContact N-O 3.39Å; T55-D254 PolarHBondContact O-N 2.89Å; T55-D254 PolarHBondContact OG1-N 2.83Å; T55-S395 WeakPolarHBondContact CA-O 3.4Å; T55-A396 HydrophobicContact CG2-CB 4.48Å; T55-L502 HydrophobicContact CG2-CB 4.2Å; T55-L502 HydrophobicContact CG2-CD2 4.17Å; T55-K503 PolarHBondContact OG1-O 2.64Å; T55-L639 HydrophobicContact CG2-CB 3.95Å; T55-I640 HydrophobicContact CG2-CD1 4.26Å; T55-I640 HydrophobicContact CG2-CG1 3.64Å
56	R	91	Very high	79.3	Confident	84 Å²	84	52.4 Å²	52.4	32%	0.317	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	144.3	175.5	-169.1	-170.3	-170.6	-167.5	5.5	109.5	Y251 H252 A394 S395	R56-Y251 HydrophobicContact CG-CD1 4.07Å; R56-Y251 HydrophobicContact CG-CG 4.39Å; R56-Y251 VanDerWaalsContact NE-CG 3.34Å; R56-H252 CarbonylContact C-O 3.56Å; R56-H252 WeakPolarHBondContact CA-O 3.19Å; R56-A394 CarbonylContact O-C 3.59Å; R56-A394 WeakPolarHBondContact O-CA 3.38Å; R56-S395 PolarHBondContact N-O 2.88Å; R56-S395 PolarHBondContact O-N 3.01Å
57	W	88.9	Confident	76.9	Confident	10 Å²	10	55.6 Å²	55.6	4%	0.038	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	162.2	164.5	55.1	91.6	0	0	0	110.3	H252 A394 L502 Q508 H510	W57-H252 HydrophobicContact CD2-CB 4.43Å; W57-H252 HydrophobicContact CG-CB 4.47Å; W57-H252 HydrophobicContact CZ2-CB 4.26Å; W57-H252 PolarHBondContact N-O 2.87Å; W57-H252 PolarHBondContact O-N 3.36Å; W57-A394 HydrophobicContact CB-CB 3.66Å; W57-L502 HydrophobicContact CE3-CB 4.4Å; W57-L502 HydrophobicContact CE3-CD1 4.42Å; W57-L502 HydrophobicContact CZ3-CB 3.96Å; W57-Q508 HydrophobicContact CZ2-CB 4.05Å; W57-H510 HydrophobicContact CD2-CB 4.04Å; W57-H510 HydrophobicContact CE3-CB 4.12Å; W57-H510 HydrophobicContact CG-CB 4.46Å; W57-H510 HydrophobicContact CZ3-CB 4.42Å
58	N	82.5	Confident	74.1	Confident	51 Å²	51	61.1 Å²	61.1	27%	0.273	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.6	172	-166.6	-6.8	0	0	0	109.8	Q60 I250 G392	N58-Q60 PolarHBondContact ND2-OE1 3.05Å; N58-Q60 VanDerWaalsContact OD1-CB 3.3Å; N58-Q60 WeakPolarHBondContact OD1-CB 3.24Å; N58-Q60 WeakPolarHBondContact OD1-CG 3.42Å; N58-Q60 PolarHBondContact OD1-N 2.8Å; N58-Q60 PolarHBondContact OD1-OE1 2.77Å; N58-I250 PolarHBondContact OD1-O 3.13Å; N58-G392 VanDerWaalsContact CB-O 3.23Å; N58-G392 WeakPolarHBondContact CB-O 3.14Å; N58-G392 PolarHBondContact N-O 2.74Å; N58-G392 VanDerWaalsContact N-O 3.15Å
59	T	73	Confident	71.2	Confident	18 Å²	18	62.2 Å²	62.2	11%	0.11	35%	0.345	C	S	.	.			trans	-107.7	-2.7	176.4	47.2	0	0	0	0	113.6	N61 E62 H252	T59-N61 CarbonylContact O-C 3.46Å; T59-N61 VanDerWaalsContact O-C 3.24Å; T59-N61 PolarHBondContact O-N 2.87Å; T59-E62 WeakPolarHBondContact O-CG 3.34Å; T59-E62 PolarHBondContact O-N 3.4Å; T59-H252 HydrophobicContact CG2-CB 3.91Å; T59-H252 VanDerWaalsContact CG2-CD2 3.45Å; T59-H252 WeakPolarHBondContact CG2-CD2 3.3Å; T59-H252 VanDerWaalsContact CG2-CG 3.43Å; T59-H252 PolarHBondContact OG1-CD2 3.37Å; T59-H252 PolarHBondContact OG1-NE2 3.26Å
60	Q	65.2	Low	68.5	Low	115 Å²	115	64.5 Å²	64.5	54%	0.537	36%	0.361	S	S	.	.			trans	-52.3	-13.5	-169.7	-81.3	177.1	-48.2	0	0	116.7	N58 I250	N58-Q60 PolarHBondContact ND2-OE1 3.05Å; N58-Q60 VanDerWaalsContact OD1-CB 3.3Å; N58-Q60 WeakPolarHBondContact OD1-CB 3.24Å; N58-Q60 WeakPolarHBondContact OD1-CG 3.42Å; N58-Q60 PolarHBondContact OD1-N 2.8Å; N58-Q60 PolarHBondContact OD1-OE1 2.77Å; Q60-I250 HydrophobicContact CG-CG2 4.35Å
61	N	55.3	Low	65.9	Low	112 Å²	112	69 Å²	69	60%	0.599	39%	0.385	S	S	*	.			trans	-97.5	61.7	163.1	-69.7	-18.4	0	0	0	111.4	T59 S63 C64 M65	T59-N61 CarbonylContact O-C 3.46Å; T59-N61 VanDerWaalsContact O-C 3.24Å; T59-N61 PolarHBondContact O-N 2.87Å; N61-S63 PolarHBondContact O-N 3.42Å; N61-C64 HydrophobicContact CB-CB 3.82Å; N61-C64 WeakPolarHBondContact O-CA 3.23Å; N61-C64 WeakPolarHBondContact O-CB 3.5Å; N61-C64 PolarHBondContact O-N 3.21Å; N61-M65 PolarHBondContact O-N 3.05Å
62	E	53.6	Low	62.8	Low	144 Å²	144	73 Å²	73	67%	0.673	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-60	-30.2	171.6	-65.4	-159.1	140.2	0	0	110.9	T59 C64 M65	T59-E62 WeakPolarHBondContact O-CG 3.34Å; T59-E62 PolarHBondContact O-N 3.4Å; E62-C64 PolarHBondContact O-N 3.29Å; E62-M65 PolarHBondContact O-N 3.15Å
63	S	53.1	Low	60	Low	111 Å²	111	76.1 Å²	76.1	78%	0.776	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-55.8	-15.5	166.9	57.5	0	0	0	0	115.4	N61	N61-S63 PolarHBondContact O-N 3.42Å
64	C	49.3	Very low	56.8	Low	63 Å²	63	79.5 Å²	79.5	43%	0.426	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-113.7	-13.7	179.9	-161.9	0	0	0	0	113.5	N61 E62 S66 R67	N61-C64 HydrophobicContact CB-CB 3.82Å; N61-C64 WeakPolarHBondContact O-CA 3.23Å; N61-C64 WeakPolarHBondContact O-CB 3.5Å; N61-C64 PolarHBondContact O-N 3.21Å; E62-C64 PolarHBondContact O-N 3.29Å; C64-S66 PolarHBondContact O-N 3.25Å; C64-R67 PolarHBondContact O-N 3.38Å
65	M	48.3	Very low	53.9	Low	114 Å²	114	81 Å²	81	56%	0.562	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-0.7	-170.6	-76.5	-88.2	74.5	0	0	115.5	N61 E62 R67	N61-M65 PolarHBondContact O-N 3.05Å; E62-M65 PolarHBondContact O-N 3.15Å; M65-R67 PolarHBondContact O-N 3.4Å
66	S	42.1	Very low	50.6	Low	101 Å²	101	89.1 Å²	89.1	71%	0.706	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	3.8	165	57.8	0	0	0	0	113.6	C64	C64-S66 PolarHBondContact O-N 3.25Å
67	R	46.6	Very low	47.7	Very low	88 Å²	88	92.1 Å²	92.1	33%	0.332	55%	0.552	S	S	.	*			trans	-122.8	117.9	178.9	-114.7	-168.2	-87.3	-134.8	-165.2	114.6	C64 M65 G69 N83 N85	C64-R67 PolarHBondContact O-N 3.38Å; M65-R67 PolarHBondContact O-N 3.4Å; R67-G69 VanDerWaalsContact C-N 3.31Å; R67-G69 PolarHBondContact O-N 2.61Å; R67-N83 PolarHBondContact NH2-OD1 2.85Å; R67-N85 WeakPolarHBondContact CD-OD1 3.18Å; R67-N85 WeakPolarHBondContact CG-OD1 3.39Å
68	P	40.9	Very low	44.7	Very low	117 Å²	117	96.7 Å²	96.7	76%	0.76	59%	0.585	S	S	*	*			trans	-72.2	90.1	156.3	30.7	-31.2	0	0	0	108.2
69	G	35	Very low	42	Very low	58 Å²	58	100.6 Å²	100.6	60%	0.598	61%	0.612	S	S	*	*			trans	-159.7	80.1	-168.1	0	0	0	0	0	115.4	R67	R67-G69 VanDerWaalsContact C-N 3.31Å; R67-G69 PolarHBondContact O-N 2.61Å
70	S	41.8	Very low	39.8	Very low	47 Å²	47	103.6 Å²	103.6	33%	0.329	63%	0.633	S	S	.	*			trans	-133.1	128.7	148.3	-171.6	0	0	0	0	111	A72 A391	S70-A72 PolarHBondContact OG-N 3Å; S70-A72 VanDerWaalsContact OG-N 3.1Å; S70-A391 VanDerWaalsContact CB-CB 3.46Å
71	L	41.9	Very low	37.9	Very low	97 Å²	97	104.6 Å²	104.6	51%	0.508	65%	0.647	S	S	.	*			trans	-127.2	34.4	158.1	-72.5	168.4	0	0	0	107.5
72	A	32.7	Very low	36.9	Very low	84 Å²	84	101.8 Å²	101.8	69%	0.694	63%	0.634	S	S	*	*			trans	-136.2	63.1	-154	0	0	0	0	0	112.8	S70	S70-A72 PolarHBondContact OG-N 3Å; S70-A72 VanDerWaalsContact OG-N 3.1Å
73	S	35.3	Very low	36	Very low	82 Å²	82	99.6 Å²	99.6	57%	0.573	63%	0.627	S	S	*	*	S	Bend	trans	-154.9	111.9	160.4	49.6	0	0	0	0	108.5
74	G	29.2	Very low	35.2	Very low	71 Å²	71	101 Å²	101	73%	0.732	62%	0.62	S	S	*	*	S	Bend	trans	155.9	-62.6	176.3	0	0	0	0	0	115.7
75	I	32.1	Very low	34.2	Very low	129 Å²	129	101.5 Å²	101.5	66%	0.662	62%	0.618	S	S	*	*			trans	-132.2	128.6	-165.7	-50.5	178.7	0	0	0	112.2	L77	I75-L77 HydrophobicContact CG2-CD1 4.32Å; I75-L77 HydrophobicContact CG2-CG 4.18Å; I75-L77 PolarHBondContact O-N 2.83Å
76	N	25.1	Very low	33.4	Very low	176 Å²	176	105 Å²	105	94%	0.941	63%	0.63	S	S	*	*			trans	-70.5	85.1	170.1	-88.7	-32.3	0	0	0	111.5
77	L	30.4	Very low	33	Very low	147 Å²	147	108.1 Å²	108.1	77%	0.77	63%	0.631	S	S	*	*			trans	-108.2	103	167.8	-86.6	165.2	0	0	0	110.1	I75	I75-L77 HydrophobicContact CG2-CD1 4.32Å; I75-L77 HydrophobicContact CG2-CG 4.18Å; I75-L77 PolarHBondContact O-N 2.83Å
78	S	24.3	Very low	32.2	Very low	105 Å²	105	109.6 Å²	109.6	73%	0.734	65%	0.65	S	S	*	*			trans	-64.4	142.1	177.3	46.3	0	0	0	0	112.1
79	T	26.2	Very low	31.6	Very low	134 Å²	134	111.6 Å²	111.6	82%	0.822	65%	0.654	S	S	*	*	S	Bend	trans	68.1	60.2	167.8	64.6	0	0	0	0	118.7
80	S	26.9	Very low	31.4	Very low	81 Å²	81	113.7 Å²	113.7	57%	0.566	66%	0.656	S	S	*	*			trans	-163.4	68.5	145.1	-82.5	0	0	0	0	113	T82	S80-T82 PolarHBondContact O-N 3.18Å
81	T	25.8	Very low	30.8	Very low	136 Å²	136	119.6 Å²	119.6	83%	0.834	68%	0.683	S	S	*	*			trans	-71.3	114.7	167.7	37.2	0	0	0	0	110
82	T	33.6	Very low	30.3	Very low	53 Å²	53	120.5 Å²	120.5	33%	0.325	69%	0.688	S	S	.	*			trans	-121.4	118.4	-176.7	54.8	0	0	0	0	111	S80 E657	S80-T82 PolarHBondContact O-N 3.18Å; T82-E657 WeakPolarHBondContact CB-O 3.27Å; T82-E657 WeakPolarHBondContact CG2-O 3.41Å
83	N	35	Very low	30.2	Very low	97 Å²	97	121.4 Å²	121.4	52%	0.519	69%	0.688	S	S	.	*			trans	-84.2	122.3	-169	-75.9	-76.8	0	0	0	111.8	R67 N85	R67-N83 PolarHBondContact NH2-OD1 2.85Å; N83-N85 PolarHBondContact O-N 2.76Å; N83-N85 VanDerWaalsContact O-N 3.1Å
84	F	37.6	Very low	29.9	Very low	142 Å²	142	124.8 Å²	124.8	62%	0.623	70%	0.698	S	S	*	*			trans	-71.9	6.5	170.9	-104.6	-81.1	0	0	0	114.9
85	N	27.4	Very low	30	Very low	72 Å²	72	125.2 Å²	125.2	39%	0.385	69%	0.694	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.7	104.4	177.2	-79.7	13.9	0	0	0	112.4	R67 N83	R67-N85 WeakPolarHBondContact CD-OD1 3.18Å; R67-N85 WeakPolarHBondContact CG-OD1 3.39Å; N83-N85 PolarHBondContact O-N 2.76Å; N83-N85 VanDerWaalsContact O-N 3.1Å
86	K	32.3	Very low	30	Very low	189 Å²	189	125 Å²	125	82%	0.822	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn		-171.8	22.5	117.1	-105.8	-174.4	177.1	-171.9	0	115.3	T88	K86-T88 PolarHBondContact O-N 2.69Å
87	F	33.4	Very low	30.6	Very low	166 Å²	166	118.8 Å²	118.8	73%	0.728	66%	0.657	S	S	*	*			trans	-83.3	61.8	168.7	-81.2	-77.4	0	0	0	112.4	I92	F87-I92 HydrophobicContact CE1-CD1 4.13Å
88	T	29.4	Very low	30.9	Very low	118 Å²	118	119.8 Å²	119.8	72%	0.724	66%	0.655	S	S	*	*			trans	-96.6	141	153.9	41.4	0	0	0	0	107.5	K86	K86-T88 PolarHBondContact O-N 2.69Å
89	N	28.1	Very low	31.4	Very low	159 Å²	159	115.4 Å²	115.4	85%	0.85	62%	0.624	S	S	*	*	S	Bend	trans	62.3	66.3	-174.6	-61.5	-16.5	0	0	0	116.6
90	T	30.2	Very low	31.7	Very low	102 Å²	102	112.4 Å²	112.4	63%	0.626	61%	0.607	S	S	*	*			trans	-167.5	144.5	135.1	10	0	0	0	0	111.4	I92	T90-I92 VanDerWaalsContact C-N 3.26Å; T90-I92 PolarHBondContact O-N 3.43Å
91	N	28.8	Very low	32	Very low	171 Å²	171	113.6 Å²	113.6	91%	0.914	60%	0.602	S	S	*	*			trans	-76.1	68.4	-179.9	-71.5	-30.9	0	0	0	112.1
92	I	32.5	Very low	32.4	Very low	116 Å²	116	111.9 Å²	111.9	60%	0.595	59%	0.588	S	S	*	*			trans	-99.2	108	173.9	-61	-179.7	0	0	0	109	F87 T90 I94	F87-I92 HydrophobicContact CE1-CD1 4.13Å; T90-I92 VanDerWaalsContact C-N 3.26Å; T90-I92 PolarHBondContact O-N 3.43Å; I92-I94 PolarHBondContact O-N 3.05Å; I92-I94 VanDerWaalsContact O-N 3.1Å
93	C	29.7	Very low	32.4	Very low	103 Å²	103	114.4 Å²	114.4	70%	0.696	60%	0.598	S	S	*	*			trans	-62.7	110.6	-175.5	-55.5	0	0	0	0	112.6
94	I	29.1	Very low	32.4	Very low	154 Å²	154	112.8 Å²	112.8	79%	0.79	60%	0.595	S	S	*	*				-58.1	120.9	117.3	-60.2	176.4	0	0	0	104.3	I92 E96	I92-I94 PolarHBondContact O-N 3.05Å; I92-I94 VanDerWaalsContact O-N 3.1Å; I94-E96 PolarHBondContact O-N 3.29Å
95	A	32.8	Very low	32.3	Very low	79 Å²	79	110.5 Å²	110.5	65%	0.653	59%	0.589	S	S	*	*			trans	-61.5	113.1	178.6	0	0	0	0	0	108	N97	A95-N97 VanDerWaalsContact C-N 3.32Å; A95-N97 PolarHBondContact O-N 2.97Å
96	E	31.5	Very low	32.7	Very low	125 Å²	125	110.1 Å²	110.1	58%	0.584	60%	0.596	S	S	*	*			trans	-58.4	101.1	170	-70.6	-178.7	129.5	0	0	107.5	I94 K98 K101	I94-E96 PolarHBondContact O-N 3.29Å; E96-K98 PolarHBondContact O-N 2.71Å; E96-K101 WeakPolarHBondContact OE1-CE 3.47Å; E96-K101 IonicContact OE1-NZ 3.11Å; E96-K101 PolarHBondContact OE1-NZ 2.71Å; E96-K101 WeakPolarHBondContact OE2-CD 3.45Å; E96-K101 IonicContact OE2-NZ 2.8Å; E96-K101 PolarHBondContact OE2-NZ 3.31Å
97	N	37.6	Very low	32.9	Very low	46 Å²	46	103 Å²	103	25%	0.246	57%	0.57	C	S	.	*			trans	-55.3	115	167.9	-114	-15.5	0	0	0	105.8	A95 I99 C100 T177	A95-N97 VanDerWaalsContact C-N 3.32Å; A95-N97 PolarHBondContact O-N 2.97Å; N97-I99 PolarHBondContact O-N 3.29Å; N97-C100 PolarHBondContact O-N 2.79Å; N97-T177 VanDerWaalsContact OD1-CB 3.26Å; N97-T177 WeakPolarHBondContact OD1-CB 3.12Å; N97-T177 VanDerWaalsContact OD1-CG2 3.26Å; N97-T177 WeakPolarHBondContact OD1-CG2 3.36Å; N97-T177 PolarHBondContact OD1-OG1 2.87Å
98	K	37.3	Very low	33	Very low	167 Å²	167	99.9 Å²	99.9	73%	0.726	56%	0.561	S	S	*	*	H	α-helix	trans	-56.5	-24	-166.1	-70.2	-175.7	178.9	179.7	0	112.1	E96 C100 K101 L102	E96-K98 PolarHBondContact O-N 2.71Å; K98-C100 VanDerWaalsContact C-N 3.3Å; K98-C100 PolarHBondContact O-N 3.16Å; K98-K101 CarbonylContact O-C 3.5Å; K98-K101 PolarHBondContact O-N 3.21Å; K98-K101 VanDerWaalsContact O-N 3.16Å; K98-L102 HydrophobicContact CB-CD1 4.27Å; K98-L102 WeakPolarHBondContact O-CB 3.22Å; K98-L102 VanDerWaalsContact O-CG 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.43Å; K98-L102 PolarHBondContact O-N 3.46Å
99	I	34.8	Very low	33.5	Very low	14 Å²	14	101.4 Å²	101.4	7%	0.072	56%	0.563	C	S	.	*	H	α-helix	trans	-34.5	-55.3	162.4	-55.8	175.6	0	0	0	112.6	N97 K101 L102 L103	N97-I99 PolarHBondContact O-N 3.29Å; I99-K101 PolarHBondContact O-N 2.71Å; I99-L102 CarbonylContact O-C 3.58Å; I99-L102 WeakPolarHBondContact O-CB 3.39Å; I99-L102 PolarHBondContact O-N 3.25Å; I99-L102 VanDerWaalsContact O-N 3.16Å; I99-L103 HydrophobicContact CG2-CD1 3.81Å; I99-L103 HydrophobicContact CG2-CG 4.28Å; I99-L103 WeakPolarHBondContact O-CB 3.46Å; I99-L103 VanDerWaalsContact O-CG 3.31Å; I99-L103 WeakPolarHBondContact O-CG 3.46Å; I99-L103 PolarHBondContact O-N 3.44Å
100	C	32.3	Very low	33.9	Very low	70 Å²	70	100.2 Å²	100.2	47%	0.473	56%	0.556	S	S	.	*	H	α-helix	trans	-65.9	-41.2	-174.8	-66.8	0	0	0	0	112.5	N97 K98 S104	N97-C100 PolarHBondContact O-N 2.79Å; K98-C100 VanDerWaalsContact C-N 3.3Å; K98-C100 PolarHBondContact O-N 3.16Å; C100-S104 PolarHBondContact O-N 3.34Å; C100-S104 PolarHBondContact O-OG 3.28Å; C100-S104 VanDerWaalsContact O-OG 3.06Å
101	K	32.7	Very low	34.3	Very low	107 Å²	107	101.1 Å²	101.1	47%	0.465	55%	0.551	S	S	.	*	H	α-helix	trans	-72.2	-29.4	173.1	-94.7	174.1	169.2	152	0	112.9	E96 K98 I99 N105	E96-K101 WeakPolarHBondContact OE1-CE 3.47Å; E96-K101 IonicContact OE1-NZ 3.11Å; E96-K101 PolarHBondContact OE1-NZ 2.71Å; E96-K101 WeakPolarHBondContact OE2-CD 3.45Å; E96-K101 IonicContact OE2-NZ 2.8Å; E96-K101 PolarHBondContact OE2-NZ 3.31Å; K98-K101 CarbonylContact O-C 3.5Å; K98-K101 PolarHBondContact O-N 3.21Å; K98-K101 VanDerWaalsContact O-N 3.16Å; I99-K101 PolarHBondContact O-N 2.71Å; K101-N105 VanDerWaalsContact O-CB 3.24Å; K101-N105 WeakPolarHBondContact O-CB 3.49Å; K101-N105 PolarHBondContact O-N 2.97Å; K101-N105 PolarHBondContact O-ND2 3.38Å
102	L	33.4	Very low	34.5	Very low	100 Å²	100	101.2 Å²	101.2	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-68.3	-44.6	172.8	-77.1	166	0	0	0	111.3	K98 I99 N105 A106	K98-L102 HydrophobicContact CB-CD1 4.27Å; K98-L102 WeakPolarHBondContact O-CB 3.22Å; K98-L102 VanDerWaalsContact O-CG 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.43Å; K98-L102 PolarHBondContact O-N 3.46Å; I99-L102 CarbonylContact O-C 3.58Å; I99-L102 WeakPolarHBondContact O-CB 3.39Å; I99-L102 PolarHBondContact O-N 3.25Å; I99-L102 VanDerWaalsContact O-N 3.16Å; L102-N105 PolarHBondContact O-N 3.27Å; L102-A106 WeakPolarHBondContact O-CB 3.41Å; L102-A106 PolarHBondContact O-N 3.46Å
103	L	34.6	Very low	34.5	Very low	105 Å²	105	102 Å²	102	55%	0.55	56%	0.556	S	S	.	*	H	α-helix	trans	-63.5	-41.9	175	-70.1	172	0	0	0	111.6	I99 S107	I99-L103 HydrophobicContact CG2-CD1 3.81Å; I99-L103 HydrophobicContact CG2-CG 4.28Å; I99-L103 WeakPolarHBondContact O-CB 3.46Å; I99-L103 VanDerWaalsContact O-CG 3.31Å; I99-L103 WeakPolarHBondContact O-CG 3.46Å; I99-L103 PolarHBondContact O-N 3.44Å; L103-S107 WeakPolarHBondContact O-CB 3.45Å; L103-S107 PolarHBondContact O-N 3.16Å
104	S	35.9	Very low	34.7	Very low	64 Å²	64	106.7 Å²	106.7	45%	0.448	57%	0.565	S	S	.	*	H	α-helix	trans	-63.2	-46.3	172.9	-62.2	0	0	0	0	112.4	C100 S107 N108	C100-S104 PolarHBondContact O-N 3.34Å; C100-S104 PolarHBondContact O-OG 3.28Å; C100-S104 VanDerWaalsContact O-OG 3.06Å; S104-S107 WeakPolarHBondContact O-CB 3.25Å; S104-S107 PolarHBondContact O-N 3.18Å; S104-N108 VanDerWaalsContact O-CG 3.29Å; S104-N108 PolarHBondContact O-N 3.21Å; S104-N108 PolarHBondContact O-ND2 2.66Å
105	N	35.3	Very low	35.1	Very low	93 Å²	93	105.1 Å²	105.1	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-70.6	-35.8	-179.3	-72.1	-16.1	0	0	0	112.7	K101 L102 S107 N108 I109	K101-N105 VanDerWaalsContact O-CB 3.24Å; K101-N105 WeakPolarHBondContact O-CB 3.49Å; K101-N105 PolarHBondContact O-N 2.97Å; K101-N105 PolarHBondContact O-ND2 3.38Å; L102-N105 PolarHBondContact O-N 3.27Å; N105-S107 VanDerWaalsContact C-N 3.35Å; N105-N108 PolarHBondContact O-N 2.93Å; N105-I109 WeakPolarHBondContact O-CG1 3.39Å; N105-I109 PolarHBondContact O-N 2.74Å; N105-I109 VanDerWaalsContact O-N 3.1Å
106	A	35.3	Very low	35.2	Very low	65 Å²	65	106.7 Å²	106.7	54%	0.537	57%	0.573	S	S	.	*	H	α-helix	trans	-63.9	-40.1	171.9	0	0	0	0	0	111.5	L102 N108 I109	L102-A106 WeakPolarHBondContact O-CB 3.41Å; L102-A106 PolarHBondContact O-N 3.46Å; A106-N108 VanDerWaalsContact C-N 3.33Å; A106-N108 PolarHBondContact O-N 3.46Å; A106-I109 PolarHBondContact O-N 3.14Å
107	S	35.5	Very low	35.4	Very low	40 Å²	40	109.6 Å²	109.6	28%	0.28	58%	0.583	S	S	.	*	H	α-helix	trans	-63	-38.2	173.3	-166	0	0	0	0	112.4	L103 S104 N105 L110 K111	L103-S107 WeakPolarHBondContact O-CB 3.45Å; L103-S107 PolarHBondContact O-N 3.16Å; S104-S107 WeakPolarHBondContact O-CB 3.25Å; S104-S107 PolarHBondContact O-N 3.18Å; N105-S107 VanDerWaalsContact C-N 3.35Å; S107-L110 PolarHBondContact O-N 2.58Å; S107-K111 PolarHBondContact O-N 3.35Å
108	N	37.3	Very low	35.3	Very low	100 Å²	100	111.9 Å²	111.9	54%	0.535	60%	0.603	S	S	.	*	H	α-helix	trans	-75	-25	-178.7	-71.7	-18.8	0	0	0	114.1	S104 N105 A106 L110	S104-N108 VanDerWaalsContact O-CG 3.29Å; S104-N108 PolarHBondContact O-N 3.21Å; S104-N108 PolarHBondContact O-ND2 2.66Å; N105-N108 PolarHBondContact O-N 2.93Å; A106-N108 VanDerWaalsContact C-N 3.33Å; A106-N108 PolarHBondContact O-N 3.46Å; N108-L110 VanDerWaalsContact C-N 3.27Å; N108-L110 PolarHBondContact O-N 2.78Å
109	I	38.7	Very low	35	Very low	149 Å²	149	113.5 Å²	113.5	76%	0.764	61%	0.606	S	S	*	*	H	α-helix	trans	-73	-19.9	174.1	-70.8	170	0	0	0	112.1	N105 A106	N105-I109 WeakPolarHBondContact O-CG1 3.39Å; N105-I109 PolarHBondContact O-N 2.74Å; N105-I109 VanDerWaalsContact O-N 3.1Å; A106-I109 PolarHBondContact O-N 3.14Å
110	L	37.7	Very low	35.1	Very low	135 Å²	135	120.7 Å²	120.7	71%	0.707	64%	0.64	S	S	*	*	H	α-helix	trans	-98.1	-7.6	179.3	-139.8	73.3	0	0	0	114.6	S107 N108	S107-L110 PolarHBondContact O-N 2.58Å; N108-L110 VanDerWaalsContact C-N 3.27Å; N108-L110 PolarHBondContact O-N 2.78Å
111	K	36.6	Very low	35.1	Very low	121 Å²	121	123.1 Å²	123.1	53%	0.526	65%	0.652	S	S	.	*			trans	-102.2	49.8	-176.1	-74.2	-172.3	-177.7	-177.7	0	114.5	S107 E507	S107-K111 PolarHBondContact O-N 3.35Å; K111-E507 IonicContact NZ-OE1 2.74Å; K111-E507 PolarHBondContact NZ-OE1 3.18Å; K111-E507 IonicContact NZ-OE2 3.14Å
112	Q	34.1	Very low	35.2	Very low	173 Å²	173	124 Å²	124	81%	0.808	67%	0.667	S	S	*	*			trans	-136	93.1	164.2	-76.5	-165.3	-6.6	0	0	112.6
113	T	31.5	Very low	35.3	Very low	131 Å²	131	124.8 Å²	124.8	80%	0.804	68%	0.68	S	S	*	*			trans	163.3	121.4	138.3	33.3	0	0	0	0	111.1
114	K	34.4	Very low	35.6	Very low	203 Å²	203	124.8 Å²	124.8	88%	0.883	69%	0.687	S	S	*	*			trans	162	109.7	136	-88.4	151.5	-168.5	161.8	0	111.7
115	S	38	Very low	35.7	Very low	120 Å²	120	129.4 Å²	129.4	84%	0.839	70%	0.701	S	S	*	*			trans	-108	172.3	150.7	57.3	0	0	0	0	109.8
116	C	34.4	Very low	35.7	Very low	113 Å²	113	130.4 Å²	130.4	76%	0.764	71%	0.71	S	S	*	*			trans	-66.9	132	-152.1	-63.6	0	0	0	0	119.6
117	K	36.3	Very low	35.8	Very low	185 Å²	185	135 Å²	135	80%	0.804	72%	0.72	S	S	*	*				48.9	104.8	119.5	-58.7	176.4	178.7	173.1	0	121.4
118	S	34.5	Very low	35.8	Very low	95 Å²	95	140.2 Å²	140.2	66%	0.664	74%	0.744	S	S	*	*				91.5	129.2	104.4	78.4	0	0	0	0	124.3
119	Y	32.6	Very low	35.8	Very low	201 Å²	201	141.5 Å²	141.5	79%	0.788	76%	0.756	S	S	*	*			trans	85.2	117.2	152.3	-67.2	-68.3	0	0	0	122.7
120	E	35.3	Very low	35.6	Very low	165 Å²	165	139.7 Å²	139.7	77%	0.771	76%	0.755	S	S	*	*			trans	59.5	138	135.7	-73.3	178.5	157.6	0	0	122.9
121	T	32.5	Very low	35.5	Very low	120 Å²	120	137.8 Å²	137.8	74%	0.736	75%	0.752	S	S	*	*			cis	-168	169.5	-23.9	14.6	0	0	0	0	110
122	V	35.2	Very low	35.5	Very low	127 Å²	127	138.1 Å²	138.1	77%	0.77	76%	0.764	S	S	*	*			trans	85.5	91.6	160.5	-162.4	0	0	0	0	120.9
123	S	36.7	Very low	35.5	Very low	116 Å²	116	136 Å²	136	81%	0.811	76%	0.759	S	S	*	*				59.9	157.2	123.2	-74.3	0	0	0	0	125
124	P	40.7	Very low	35.7	Very low	105 Å²	105	140.8 Å²	140.8	68%	0.682	76%	0.762	S	S	*	*			trans	-131.9	-171.2	-144.2	45.4	-30.5	0	0	0	116.2
125	H	36.5	Very low	35.6	Very low	161 Å²	161	134.7 Å²	134.7	75%	0.745	76%	0.757	S	S	*	*			trans	178.5	134.8	134.5	-102.4	61.5	0	0	0	116.1
126	T	36.8	Very low	35.5	Very low	113 Å²	113	139.7 Å²	139.7	69%	0.693	76%	0.759	S	S	*	*			trans	64.4	151.3	143.8	60.5	0	0	0	0	121.9
127	H	36.9	Very low	35.5	Very low	162 Å²	162	141.4 Å²	141.4	75%	0.75	76%	0.76	S	S	*	*			cis	-167.2	157.2	-8.7	-123.6	-57.2	0	0	0	113.5
128	L	35.8	Very low	35.4	Very low	150 Å²	150	136.9 Å²	136.9	79%	0.785	75%	0.752	S	S	*	*			trans	88.2	179.6	155	-66.3	170.9	0	0	0	121.3
129	T	35.6	Very low	35.4	Very low	126 Å²	126	139.2 Å²	139.2	77%	0.773	76%	0.757	S	S	*	*			trans	-166.6	169.9	-137.8	49.9	0	0	0	0	116
130	C	35.5	Very low	35.7	Very low	112 Å²	112	135.2 Å²	135.2	76%	0.757	75%	0.753	S	S	*	*			trans	94.1	145.9	150.6	-167	0	0	0	0	120
131	C	36.4	Very low	35.6	Very low	94 Å²	94	135 Å²	135	64%	0.635	75%	0.752	S	S	*	*			cis	-169	151.2	-16.8	-68.4	0	0	0	0	113.2
132	T	35.6	Very low	35.6	Very low	128 Å²	128	135 Å²	135	79%	0.785	76%	0.756	S	S	*	*			trans	45.7	145.1	143.4	58	0	0	0	0	122.6
133	D	34.1	Very low	35.5	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	76%	0.759	S	S	*	*			cis	-179.6	142.7	43.5	-145.4	-13.5	0	0	0	115.5
134	R	35.2	Very low	35.5	Very low	231 Å²	231	138.5 Å²	138.5	87%	0.872	76%	0.761	S	S	*	*			trans	33.7	145.6	150.5	-76.3	168.3	160.7	163.5	-5.8	128.5
135	G	33.4	Very low	35.1	Very low	76 Å²	76	140.8 Å²	140.8	78%	0.784	77%	0.768	S	S	*	*			trans	173.9	40.4	155.4	0	0	0	0	0	129
136	Y	35.4	Very low	35.4	Very low	224 Å²	224	139.4 Å²	139.4	88%	0.878	78%	0.775	S	S	*	*			trans	34.9	143.4	149.3	-88.9	-71.4	0	0	0	128
137	L	35	Very low	35.4	Very low	149 Å²	149	140.1 Å²	140.1	78%	0.78	77%	0.774	S	S	*	*			trans	107.5	104.8	137.2	-80.6	166.4	0	0	0	125.9
138	S	34.8	Very low	35.4	Very low	91 Å²	91	141.1 Å²	141.1	64%	0.636	77%	0.773	S	S	*	*				75.4	124.8	118.7	71.8	0	0	0	0	128.2
139	D	33.6	Very low	35.4	Very low	144 Å²	144	139.7 Å²	139.7	77%	0.77	77%	0.766	S	S	*	*				103	147.8	115.7	-93	-27	0	0	0	127.3
140	T	38.1	Very low	35.5	Very low	117 Å²	117	141.8 Å²	141.8	72%	0.718	77%	0.767	S	S	*	*			trans	78	153.6	157.8	67.4	0	0	0	0	122.1
141	H	34.4	Very low	35.6	Very low	161 Å²	161	141.6 Å²	141.6	75%	0.745	77%	0.767	S	S	*	*			cis	-172.7	-178.2	-28.7	-111.1	-11.3	0	0	0	114.6
142	C	32.6	Very low	35.6	Very low	120 Å²	120	141.7 Å²	141.7	81%	0.811	77%	0.768	S	S	*	*			trans	88.8	124.5	159	-72.1	0	0	0	0	120
143	K	31.8	Very low	35.5	Very low	192 Å²	192	142 Å²	142	84%	0.835	77%	0.774	S	S	*	*			cis	102.9	86.8	-6.3	-156.2	179.1	178	176	0	119.7
144	S	36.9	Very low	35.5	Very low	123 Å²	123	139.4 Å²	139.4	86%	0.86	77%	0.771	S	S	*	*			trans	-168.8	167.7	166.4	56.9	0	0	0	0	115.8
145	N	32.6	Very low	35.5	Very low	154 Å²	154	136 Å²	136	82%	0.824	77%	0.769	S	S	*	*			cis	172.1	110.4	-41.5	179.5	32	0	0	0	112.3
146	C	42.9	Very low	35.5	Very low	131 Å²	131	138.5 Å²	138.5	89%	0.885	77%	0.765	S	S	*	*			trans	-165.9	174.1	164.9	58.9	0	0	0	0	114.7
147	N	36	Very low	35.5	Very low	129 Å²	129	135.4 Å²	135.4	69%	0.69	76%	0.758	S	S	*	*				-149.6	166.2	-123.6	-161.1	1.3	0	0	0	116.1
148	Y	37.6	Very low	35.2	Very low	182 Å²	182	135 Å²	135	71%	0.714	76%	0.756	S	S	*	*			trans	77.4	115.8	160.5	-76.1	-61.8	0	0	0	124.4
149	N	36.7	Very low	35.1	Very low	120 Å²	120	138 Å²	138	64%	0.642	76%	0.764	S	S	*	*				92.4	133.7	125	-84.7	-6.1	0	0	0	125.5
150	H	38.2	Very low	34.9	Very low	171 Å²	171	138 Å²	138	79%	0.792	76%	0.763	S	S	*	*			trans	58.2	98.6	152.7	-59.9	-55.3	0	0	0	121.2
151	S	37	Very low	34.5	Very low	108 Å²	108	138.3 Å²	138.3	76%	0.755	77%	0.768	S	S	*	*				179	140.6	96.4	-173.7	0	0	0	0	113.6
152	S	35.5	Very low	34.4	Very low	96 Å²	96	137.5 Å²	137.5	67%	0.671	77%	0.765	S	S	*	*			trans	44.8	93.5	152.9	58.3	0	0	0	0	120.5
153	C	33	Very low	34.3	Very low	133 Å²	133	138.1 Å²	138.1	90%	0.899	77%	0.765	S	S	*	*				58.3	143.8	127.3	-55.4	0	0	0	0	122.1
154	A	34.5	Very low	34.2	Very low	76 Å²	76	138 Å²	138	63%	0.628	76%	0.76	S	S	*	*			cis	-175.3	148	-16.1	0	0	0	0	0	109
155	L	35.7	Very low	34	Very low	159 Å²	159	139.5 Å²	139.5	83%	0.832	76%	0.756	S	S	*	*			trans	64.7	148.5	164	-61.3	167.9	0	0	0	115.9
156	D	33.4	Very low	33.8	Very low	129 Å²	129	135.1 Å²	135.1	69%	0.69	75%	0.748	S	S	*	*			cis	-151.8	180	-25.4	-144.4	-23.3	0	0	0	108.7
157	H	34.8	Very low	33.1	Very low	159 Å²	159	136.9 Å²	136.9	74%	0.736	74%	0.743	S	S	*	*			trans	-14.1	149.6	174.3	-88.1	-75.3	0	0	0	122.2
158	D	29.6	Very low	32.8	Very low	139 Å²	139	135.2 Å²	135.2	74%	0.743	74%	0.742	S	S	*	*			trans	-46.9	141.2	164.7	-37.8	-98.5	0	0	0	113.4
159	L	31.5	Very low	32.5	Very low	155 Å²	155	137.8 Å²	137.8	81%	0.812	75%	0.75	S	S	*	*			trans	171.9	139.8	135.2	-92	158.6	0	0	0	111.9
160	I	29.9	Very low	32.1	Very low	144 Å²	144	139.7 Å²	139.7	74%	0.738	76%	0.759	S	S	*	*			trans	33.5	113.2	149.4	-55	169.4	0	0	0	118
161	C	30.2	Very low	31.7	Very low	123 Å²	123	136.4 Å²	136.4	83%	0.831	76%	0.755	S	S	*	*			trans	-147.7	44.3	148.8	-144.2	0	0	0	0	113.3	T163	C161-T163 PolarHBondContact O-N 2.76Å
162	E	32	Very low	31.2	Very low	144 Å²	144	136.2 Å²	136.2	67%	0.673	76%	0.76	S	S	*	*			trans	-59.4	127.4	157.5	-74.2	-169.4	142.6	0	0	108.7	R164	E162-R164 PolarHBondContact O-N 3.32Å; E162-R164 IonicContact OE2-NE 2.92Å
163	T	29.8	Very low	31.1	Very low	133 Å²	133	135.8 Å²	135.8	82%	0.816	76%	0.757	S	S	*	*			trans	-76	70.9	173.7	51.3	0	0	0	0	111	C161 I165	C161-T163 PolarHBondContact O-N 2.76Å; T163-I165 VanDerWaalsContact C-N 3.33Å; T163-I165 PolarHBondContact O-N 2.87Å
164	R	29.6	Very low	30.9	Very low	191 Å²	191	133.6 Å²	133.6	72%	0.721	76%	0.756	S	S	*	*			trans	-63.5	95.9	161.6	-68.8	-170.1	-177	-157.4	2.5	108.4	E162 G166	E162-R164 PolarHBondContact O-N 3.32Å; E162-R164 IonicContact OE2-NE 2.92Å; R164-G166 PolarHBondContact O-N 2.8Å; R164-G166 VanDerWaalsContact O-N 3.14Å
165	I	33.3	Very low	30.9	Very low	153 Å²	153	132.7 Å²	132.7	79%	0.785	75%	0.745	S	S	*	*			trans	-57.5	117.8	161.6	-64	176.9	0	0	0	105.7	T163 E167	T163-I165 VanDerWaalsContact C-N 3.33Å; T163-I165 PolarHBondContact O-N 2.87Å; I165-E167 PolarHBondContact O-N 3.03Å
166	G	29.1	Very low	31.1	Very low	63 Å²	63	128 Å²	128	65%	0.649	72%	0.721	S	S	*	*			trans	-57.4	128.4	-160.7	0	0	0	0	0	113.5	R164 S168	R164-G166 PolarHBondContact O-N 2.8Å; R164-G166 VanDerWaalsContact O-N 3.14Å; G166-S168 VanDerWaalsContact C-N 3.29Å; G166-S168 PolarHBondContact O-N 3.42Å
167	E	27.3	Very low	31.4	Very low	167 Å²	167	124 Å²	124	78%	0.78	70%	0.701	S	S	*	*			trans	-66.2	88.8	169.7	-65.1	173.5	128.7	0	0	108.8	I165 W169	I165-E167 PolarHBondContact O-N 3.03Å; E167-W169 PolarHBondContact O-N 3Å
168	S	31	Very low	31.4	Very low	95 Å²	95	120.1 Å²	120.1	66%	0.664	69%	0.692	S	S	*	*			trans	-64.7	133.9	175.3	-166.8	0	0	0	0	109.7	G166 I170	G166-S168 VanDerWaalsContact C-N 3.29Å; G166-S168 PolarHBondContact O-N 3.42Å; S168-I170 PolarHBondContact O-N 3.5Å; S168-I170 VanDerWaalsContact O-N 3.08Å
169	W	30.6	Very low	32	Very low	235 Å²	235	115.9 Å²	115.9	89%	0.89	67%	0.673	S	S	*	*			trans	-69.5	107.6	-161.2	-78.8	61.7	0	0	0	112.6	E167 S171	E167-W169 PolarHBondContact O-N 3Å; W169-S171 PolarHBondContact O-N 3.06Å; W169-S171 PolarHBondContact O-OG 3.46Å
170	I	28.2	Very low	32.6	Very low	161 Å²	161	111.2 Å²	111.2	83%	0.826	65%	0.649	S	S	*	*			trans	-64	95.3	174.3	-58	175.7	0	0	0	109.4	S168	S168-I170 PolarHBondContact O-N 3.5Å; S168-I170 VanDerWaalsContact O-N 3.08Å
171	S	29	Very low	33.3	Very low	101 Å²	101	108.7 Å²	108.7	71%	0.706	64%	0.637	S	S	*	*			trans	-97.3	114.3	177.2	-61.9	0	0	0	0	110.4	W169	W169-S171 PolarHBondContact O-N 3.06Å; W169-S171 PolarHBondContact O-OG 3.46Å
172	A	27.5	Very low	33.7	Very low	105 Å²	105	106.7 Å²	106.7	87%	0.868	63%	0.629	S	S	*	*	S	Bend	trans	59.1	69.5	161.3	0	0	0	0	0	119
173	S	33	Very low	34	Very low	87 Å²	87	107.3 Å²	107.3	61%	0.608	63%	0.632	S	S	*	*			trans	-140.7	7.5	153.6	61.3	0	0	0	0	115.1	S175	S173-S175 VanDerWaalsContact C-N 3.34Å; S173-S175 PolarHBondContact O-N 2.92Å
174	G	29	Very low	34.3	Very low	86 Å²	86	105.6 Å²	105.6	89%	0.887	63%	0.626	S	S	*	*			trans	-82.3	45.5	-173.9	0	0	0	0	0	116.6
175	S	35	Very low	34.7	Very low	57 Å²	57	102.2 Å²	102.2	40%	0.399	63%	0.631	S	S	.	*			trans	-158.6	65.4	177.7	-157.4	0	0	0	0	114.3	S173 R434	S173-S175 VanDerWaalsContact C-N 3.34Å; S173-S175 PolarHBondContact O-N 2.92Å; S175-R434 PolarHBondContact O-NH1 2.84Å; S175-R434 PolarHBondContact OG-NH1 3.09Å
176	L	39	Very low	34.6	Very low	60 Å²	60	103 Å²	103	31%	0.314	64%	0.637	S	S	.	*	S	Bend	trans	-129.8	-43.8	172.6	-71.3	169.9	0	0	0	112.9	S178 S179 R434 I439	L176-S178 VanDerWaalsContact C-N 3.34Å; L176-S178 PolarHBondContact O-N 3.48Å; L176-S179 PolarHBondContact O-N 3.43Å; L176-R434 HydrophobicContact CD2-CB 3.97Å; L176-I439 HydrophobicContact CD1-CD1 3.55Å; L176-I439 HydrophobicContact CD2-CD1 4.49Å
177	T	40	Very low	35.1	Very low	45 Å²	45	109.7 Å²	109.7	28%	0.276	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85	-2.9	-173.9	47.8	0	0	0	0	115	N97	N97-T177 VanDerWaalsContact OD1-CB 3.26Å; N97-T177 WeakPolarHBondContact OD1-CB 3.12Å; N97-T177 VanDerWaalsContact OD1-CG2 3.26Å; N97-T177 WeakPolarHBondContact OD1-CG2 3.36Å; N97-T177 PolarHBondContact OD1-OG1 2.87Å
178	S	34.9	Very low	35.3	Very low	79 Å²	79	107 Å²	107	55%	0.552	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	16.6	171.1	68.8	0	0	0	0	113.4	L176	L176-S178 VanDerWaalsContact C-N 3.34Å; L176-S178 PolarHBondContact O-N 3.48Å
179	S	41.5	Very low	35.6	Very low	49 Å²	49	108.4 Å²	108.4	34%	0.343	65%	0.647	S	S	.	*	S	Bend	trans	-103.2	-11.2	-177.1	-163.3	0	0	0	0	113.9	L176	L176-S179 PolarHBondContact O-N 3.43Å
180	L	44.6	Very low	35.8	Very low	58 Å²	58	104.3 Å²	104.3	30%	0.304	64%	0.637	S	S	.	*	S	Bend	trans	-89.3	-22.5	178.1	-77.6	157.6	0	0	0	112.5	A182 F432 F634	L180-A182 PolarHBondContact O-N 2.98Å; L180-A182 VanDerWaalsContact O-N 3.1Å; L180-F432 HydrophobicContact CD2-CD1 4.4Å; L180-F432 HydrophobicContact CD2-CE1 3.68Å; L180-F432 HydrophobicContact CD2-CE2 4.09Å; L180-F432 HydrophobicContact CD2-CZ 3.51Å; L180-F432 HydrophobicContact CG-CE1 4.22Å; L180-F634 HydrophobicContact CB-CE2 4.48Å; L180-F634 HydrophobicContact CB-CZ 4.42Å; L180-F634 HydrophobicContact CD1-CE2 4.25Å; L180-F634 HydrophobicContact CD1-CZ 4.36Å; L180-F634 HydrophobicContact CD2-CE2 4.3Å
181	D	45	Very low	36.1	Very low	90 Å²	90	103 Å²	103	48%	0.481	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	7.4	-174.9	-54.1	-50.7	0	0	0	114.5
182	A	39.2	Very low	36.4	Very low	81 Å²	81	108 Å²	108	67%	0.669	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	10.4	-158	0	0	0	0	0	116.4	L180	L180-A182 PolarHBondContact O-N 2.98Å; L180-A182 VanDerWaalsContact O-N 3.1Å
183	E	36.6	Very low	36.7	Very low	157 Å²	157	106.2 Å²	106.2	73%	0.734	63%	0.633	S	S	*	*			trans	-108.6	79.5	178.1	-68.5	-153.5	134.9	0	0	113.7
184	S	37.3	Very low	36.9	Very low	98 Å²	98	110.9 Å²	110.9	69%	0.685	64%	0.643	S	S	*	*	S	Bend	trans	-144.2	109.5	160.5	56.1	0	0	0	0	114	N186	S184-N186 PolarHBondContact O-N 3.18Å
185	S	36.9	Very low	37.1	Very low	120 Å²	120	114.3 Å²	114.3	84%	0.839	64%	0.64	S	S	*	*			trans	31.4	73	155	63	0	0	0	0	119.4	K187	S185-K187 PolarHBondContact O-N 3.22Å
186	N	31.5	Very low	37.1	Very low	169 Å²	169	116.2 Å²	116.2	90%	0.904	66%	0.659	S	S	*	*			trans	-81.2	101.5	157.3	-96.5	-35.9	0	0	0	110.7	S184	S184-N186 PolarHBondContact O-N 3.18Å
187	K	40	Very low	37	Very low	204 Å²	204	118.8 Å²	118.8	89%	0.887	68%	0.682	S	S	*	*			trans	-128.4	118.4	160.6	-85.1	-168.6	173.7	-179.9	0	110.9	S185	S185-K187 PolarHBondContact O-N 3.22Å
188	S	31.6	Very low	37.1	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	70%	0.702	S	S	*	*			trans	-66	142.3	-171.4	-178.3	0	0	0	0	113.3
189	I	36.8	Very low	37.1	Very low	126 Å²	126	124.8 Å²	124.8	65%	0.646	71%	0.712	S	S	*	*			trans	-126.8	103.5	160.7	-73.6	178.6	0	0	0	107.9	K312	I189-K312 VanDerWaalsContact CG2-NZ 3.33Å
190	Q	35.3	Very low	37	Very low	149 Å²	149	128.5 Å²	128.5	70%	0.696	73%	0.733	S	S	*	*			trans	-92.2	153.6	153.9	-69	-166.4	-2.4	0	0	109.9	K312	Q190-K312 PolarHBondContact O-NZ 3.39Å
191	N	34.3	Very low	36.6	Very low	134 Å²	134	131 Å²	131	72%	0.717	75%	0.752	S	S	*	*			trans	-125.9	119.3	172.9	-71.2	-29.7	0	0	0	107.8	K312	N191-K312 PolarHBondContact OD1-NZ 3.35Å; N191-K312 VanDerWaalsContact OD1-NZ 3.12Å
192	F	36	Very low	36.3	Very low	204 Å²	204	133.9 Å²	133.9	90%	0.895	77%	0.766	S	S	*	*			trans	-114.5	145.8	160.9	-93.2	-83.5	0	0	0	109.3
193	G	33.4	Very low	36.2	Very low	68 Å²	68	136.3 Å²	136.3	70%	0.701	77%	0.768	S	S	*	*			trans	-169.2	116.4	176.1	0	0	0	0	0	113.5
194	K	36.3	Very low	36.2	Very low	186 Å²	186	134.8 Å²	134.8	81%	0.809	77%	0.765	S	S	*	*				175.8	134.1	125.7	-98.3	175	174.3	-178.6	0	111.4
195	L	33.5	Very low	36.1	Very low	157 Å²	157	136 Å²	136	82%	0.822	76%	0.764	S	S	*	*			trans	49.3	131.2	134.4	-52.2	167.3	0	0	0	118.1
196	A	34.9	Very low	36.1	Very low	97 Å²	97	135.6 Å²	135.6	80%	0.802	75%	0.752	S	S	*	*			cis	-161.9	158.6	30.4	0	0	0	0	0	115.7
197	S	36.7	Very low	36.2	Very low	115 Å²	115	137.4 Å²	137.4	80%	0.804	75%	0.748	S	S	*	*			trans	-58.3	-176.4	165.9	-75.3	0	0	0	0	117.3
198	P	42.3	Very low	35.9	Very low	106 Å²	106	133.1 Å²	133.1	69%	0.688	74%	0.741	S	S	*	*			cis	-140.6	-167.5	-28.7	33.4	-12.2	0	0	0	114.5
199	N	36.5	Very low	35.8	Very low	143 Å²	143	134.9 Å²	134.9	77%	0.765	74%	0.741	S	S	*	*			trans	128.3	138.3	153.1	-67	-26.6	0	0	0	112.1
200	T	38.7	Very low	35.6	Very low	128 Å²	128	139.6 Å²	139.6	79%	0.785	75%	0.751	S	S	*	*			cis	-157.3	166.1	-2.5	10.8	0	0	0	0	109.7
201	P	36.4	Very low	35.4	Very low	109 Å²	109	136.7 Å²	136.7	71%	0.708	75%	0.747	S	S	*	*			trans	-107.8	-179.5	-161.3	41.9	-37.7	0	0	0	116.5
202	I	38.1	Very low	35.2	Very low	151 Å²	151	138.3 Å²	138.3	77%	0.774	75%	0.754	S	S	*	*			trans	172.4	130.4	134.8	-90.2	155.7	0	0	0	113.8
203	N	37.3	Very low	35	Very low	132 Å²	132	136.2 Å²	136.2	71%	0.706	75%	0.747	S	S	*	*			trans	40.4	153.4	150.2	-65.1	9.2	0	0	0	123.9
204	N	36.1	Very low	35.1	Very low	126 Å²	126	141.5 Å²	141.5	67%	0.674	75%	0.753	S	S	*	*			cis	-172.3	161.5	-18.9	-108.4	8.1	0	0	0	110.8
205	N	36.1	Very low	34.8	Very low	123 Å²	123	138.5 Å²	138.5	66%	0.658	75%	0.745	S	S	*	*			trans	67.5	145.8	157.4	-73.5	45.3	0	0	0	118.2
206	D	35.8	Very low	34.9	Very low	112 Å²	112	137 Å²	137	60%	0.599	74%	0.742	S	S	*	*			cis	-156.1	136.5	2.4	-98.8	-33.6	0	0	0	113.7
207	Y	33.3	Very low	34.7	Very low	206 Å²	206	141 Å²	141	81%	0.808	74%	0.742	S	S	*	*			trans	56.5	171.8	149.8	-68.9	-78.3	0	0	0	121.3
208	P	35.6	Very low	34.8	Very low	114 Å²	114	140 Å²	140	74%	0.74	73%	0.731	S	S	*	*				-136.5	169.1	-88.6	39.9	-18.8	0	0	0	118.9
209	L	27.9	Very low	34.4	Very low	147 Å²	147	140.3 Å²	140.3	77%	0.77	73%	0.731	S	S	*	*			trans	-31.4	143.1	170.8	-72.7	148.5	0	0	0	120.1
210	R	32.2	Very low	34.3	Very low	225 Å²	225	140.5 Å²	140.5	85%	0.849	73%	0.732	S	S	*	*				-129.2	132.3	129.2	-84.9	-168.9	173.6	-161.8	-1.7	109.2
211	S	31.9	Very low	34.3	Very low	88 Å²	88	141 Å²	141	62%	0.615	72%	0.723	S	S	*	*			trans	-132.3	131.5	-179.6	54.4	0	0	0	0	110.9
212	I	31	Very low	34.3	Very low	168 Å²	168	143.5 Å²	143.5	86%	0.862	73%	0.729	S	S	*	*			trans	-94.9	119.3	173.5	-62.9	174.1	0	0	0	107.8
213	Q	31.4	Very low	34.5	Very low	159 Å²	159	144.1 Å²	144.1	74%	0.743	72%	0.723	S	S	*	*			trans	-104.2	106	172.9	-74.6	-175.1	-26.5	0	0	109.9	I215	Q213-I215 HydrophobicContact CB-CD1 4.49Å; Q213-I215 HydrophobicContact CB-CG1 4.28Å
214	Q	35.3	Very low	34.4	Very low	180 Å²	180	141.5 Å²	141.5	84%	0.841	71%	0.709	S	S	*	*			trans	-81.4	131.3	156.5	-75.7	176.6	-37.8	0	0	108.3
215	I	29.7	Very low	34.8	Very low	122 Å²	122	140.3 Å²	140.3	63%	0.626	71%	0.711	S	S	*	*			trans	-125.2	71.4	-179.7	-52.5	-178.8	0	0	0	109.1	Q213 K217	Q213-I215 HydrophobicContact CB-CD1 4.49Å; Q213-I215 HydrophobicContact CB-CG1 4.28Å; I215-K217 HydrophobicContact CG2-CD 4.41Å; I215-K217 HydrophobicContact CG2-CG 4.09Å; I215-K217 PolarHBondContact O-N 3.28Å
216	T	35.3	Very low	35.1	Very low	126 Å²	126	139.4 Å²	139.4	77%	0.773	71%	0.709	S	S	*	*			trans	-79.6	97.3	166.1	23.7	0	0	0	0	109.3	T218	T216-T218 PolarHBondContact O-N 3.4Å
217	K	31.4	Very low	35.3	Very low	181 Å²	181	138 Å²	138	79%	0.787	71%	0.708	S	S	*	*			trans	-93.6	68.8	171.3	-79.1	-173.4	175.5	-178	0	111.3	I215 T219	I215-K217 HydrophobicContact CG2-CD 4.41Å; I215-K217 HydrophobicContact CG2-CG 4.09Å; I215-K217 PolarHBondContact O-N 3.28Å; K217-T219 PolarHBondContact O-N 3.02Å
218	T	37.5	Very low	35.9	Very low	94 Å²	94	131.8 Å²	131.8	58%	0.577	69%	0.688	S	S	*	*			trans	-68.3	109.4	159.9	36.7	0	0	0	0	108.5	T216 D220	T216-T218 PolarHBondContact O-N 3.4Å; T218-D220 PolarHBondContact O-N 3.12Å
219	T	33.9	Very low	36	Very low	113 Å²	113	130 Å²	130	69%	0.693	68%	0.676	S	S	*	*			trans	-88.8	86.7	174	57.3	0	0	0	0	109.6	K217 K221	K217-T219 PolarHBondContact O-N 3.02Å; T219-K221 PolarHBondContact O-N 3.11Å
220	D	36.2	Very low	36.9	Very low	147 Å²	147	129.2 Å²	129.2	79%	0.786	67%	0.673	S	S	*	*			trans	-67.3	81.5	171.4	-72	-37.3	0	0	0	110.6	T218 I222	T218-D220 PolarHBondContact O-N 3.12Å; D220-I222 PolarHBondContact O-N 3.03Å
221	K	38.3	Very low	37.3	Very low	137 Å²	137	125.2 Å²	125.2	60%	0.596	66%	0.662	S	S	*	*			trans	-76.6	102.6	164.2	-74.3	-174.9	172.7	-173.4	0	107.7	T219 Y223	T219-K221 PolarHBondContact O-N 3.11Å; K221-Y223 VanDerWaalsContact C-N 3.34Å; K221-Y223 HydrophobicContact CB-CD2 4.09Å; K221-Y223 HydrophobicContact CB-CE1 4.18Å; K221-Y223 HydrophobicContact CB-CE2 3.6Å; K221-Y223 HydrophobicContact CD-CE1 4.24Å; K221-Y223 WeakPolarHBondContact CD-OH 3.38Å; K221-Y223 WeakPolarHBondContact O-CD2 3.35Å; K221-Y223 WeakPolarHBondContact O-CE2 3.35Å; K221-Y223 PolarHBondContact O-N 3.25Å
222	I	36.6	Very low	38	Very low	163 Å²	163	123.1 Å²	123.1	84%	0.836	65%	0.647	S	S	*	*			trans	-59.9	102.3	160.1	-58.9	174.1	0	0	0	106.2	D220 D224	D220-I222 PolarHBondContact O-N 3.03Å; I222-D224 PolarHBondContact O-N 2.93Å
223	Y	40.8	Very low	39	Very low	163 Å²	163	118.3 Å²	118.3	64%	0.639	62%	0.622	S	S	*	*			trans	-84.1	104	177.3	-72	-78.7	0	0	0	108.9	K221 S225	K221-Y223 VanDerWaalsContact C-N 3.34Å; K221-Y223 HydrophobicContact CB-CD2 4.09Å; K221-Y223 HydrophobicContact CB-CE1 4.18Å; K221-Y223 HydrophobicContact CB-CE2 3.6Å; K221-Y223 HydrophobicContact CD-CE1 4.24Å; K221-Y223 WeakPolarHBondContact CD-OH 3.38Å; K221-Y223 WeakPolarHBondContact O-CD2 3.35Å; K221-Y223 WeakPolarHBondContact O-CE2 3.35Å; K221-Y223 PolarHBondContact O-N 3.25Å; Y223-S225 PolarHBondContact O-N 2.93Å
224	D	37	Very low	40.2	Very low	77 Å²	77	113.9 Å²	113.9	41%	0.412	60%	0.602	S	S	.	*			trans	-47.9	130.6	158.6	-176.2	-41.8	0	0	0	109	I222 T226 C227	I222-D224 PolarHBondContact O-N 2.93Å; D224-T226 VanDerWaalsContact CG-OG1 3.25Å; D224-T226 PolarHBondContact O-N 3.49Å; D224-T226 VanDerWaalsContact O-N 3.13Å; D224-T226 VanDerWaalsContact OD1-CB 3.32Å; D224-T226 WeakPolarHBondContact OD1-CB 3.26Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.4Å; D224-T226 PolarHBondContact OD1-N 2.84Å; D224-T226 PolarHBondContact OD1-OG1 3.08Å; D224-C227 WeakPolarHBondContact O-CB 3.4Å; D224-C227 PolarHBondContact O-N 3.22Å
225	S	43	Very low	41	Very low	102 Å²	102	109.8 Å²	109.8	71%	0.713	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-62	-22.2	-175.1	53.8	0	0	0	0	112.9	Y223 C227	Y223-S225 PolarHBondContact O-N 2.93Å; S225-C227 PolarHBondContact O-N 2.81Å
226	T	43.1	Very low	42.4	Very low	103 Å²	103	104.6 Å²	104.6	63%	0.632	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-72.2	-11.2	174.1	67.1	0	0	0	0	114	D224	D224-T226 VanDerWaalsContact CG-OG1 3.25Å; D224-T226 PolarHBondContact O-N 3.49Å; D224-T226 VanDerWaalsContact O-N 3.13Å; D224-T226 VanDerWaalsContact OD1-CB 3.32Å; D224-T226 WeakPolarHBondContact OD1-CB 3.26Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.4Å; D224-T226 PolarHBondContact OD1-N 2.84Å; D224-T226 PolarHBondContact OD1-OG1 3.08Å
227	C	40.6	Very low	43.6	Very low	84 Å²	84	101.7 Å²	101.7	57%	0.568	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-99.2	-0.4	-172.8	-72	0	0	0	0	115	D224 S225 P229	D224-C227 WeakPolarHBondContact O-CB 3.4Å; D224-C227 PolarHBondContact O-N 3.22Å; S225-C227 PolarHBondContact O-N 2.81Å; C227-P229 WeakPolarHBondContact O-CD 3.32Å
228	L	45	Very low	45	Very low	74 Å²	74	101.9 Å²	101.9	39%	0.387	53%	0.527	S	S	.	.	S	Bend	trans	-72.7	125	171.1	-87.8	168.2	0	0	0	110.1	N230 C232	L228-N230 PolarHBondContact O-N 2.81Å; L228-C232 HydrophobicContact CD2-CB 4.08Å
229	P	37.2	Very low	45.7	Very low	77 Å²	77	99 Å²	99	50%	0.5	51%	0.509	S	S	.	.			trans	-61.8	133	166.4	-17.7	30.8	0	0	0	108.9	C227 F231 C232	C227-P229 WeakPolarHBondContact O-CD 3.32Å; P229-F231 HydrophobicContact CB-CB 4.49Å; P229-F231 PolarHBondContact O-N 2.83Å; P229-C232 WeakPolarHBondContact O-CB 3.35Å; P229-C232 PolarHBondContact O-N 2.99Å
230	N	47.2	Very low	46.8	Very low	130 Å²	130	96.2 Å²	96.2	70%	0.695	49%	0.487	S	S	*	.	H	α-helix	trans	-50.1	-35.2	176.9	-72.1	3.9	0	0	0	111.9	L228 C232 L233 E234	L228-N230 PolarHBondContact O-N 2.81Å; N230-C232 PolarHBondContact O-N 2.69Å; N230-L233 WeakPolarHBondContact O-CB 3.44Å; N230-L233 PolarHBondContact O-N 3.36Å; N230-E234 WeakPolarHBondContact O-CG 3.47Å; N230-E234 PolarHBondContact O-N 3.44Å
231	F	40.7	Very low	47.6	Very low	142 Å²	142	96.8 Å²	96.8	62%	0.623	49%	0.485	S	S	*	.	H	α-helix	trans	-49.9	-37.2	172.2	-178.8	-98	0	0	0	114.5	P229 Q235	P229-F231 HydrophobicContact CB-CB 4.49Å; P229-F231 PolarHBondContact O-N 2.83Å; F231-Q235 HydrophobicContact CD1-CG 4.4Å; F231-Q235 VanDerWaalsContact CE1-CD 3.44Å; F231-Q235 HydrophobicContact CE1-CG 4.05Å; F231-Q235 HydrophobicContact CZ-CG 4.13Å; F231-Q235 VanDerWaalsContact CZ-NE2 3.28Å; F231-Q235 VanDerWaalsContact O-CB 3.32Å; F231-Q235 WeakPolarHBondContact O-CB 3.05Å; F231-Q235 WeakPolarHBondContact O-CG 3.5Å; F231-Q235 PolarHBondContact O-N 3.11Å
232	C	46.5	Very low	48.2	Very low	44 Å²	44	93.6 Å²	93.6	30%	0.297	47%	0.473	S	S	.	.	H	α-helix	trans	-73.4	-35	177	-68.6	0	0	0	0	112.4	L228 P229 N230 W236	L228-C232 HydrophobicContact CD2-CB 4.08Å; P229-C232 WeakPolarHBondContact O-CB 3.35Å; P229-C232 PolarHBondContact O-N 2.99Å; N230-C232 PolarHBondContact O-N 2.69Å; C232-W236 VanDerWaalsContact O-CD1 3.26Å; C232-W236 PolarHBondContact O-N 2.91Å
233	L	52.5	Low	48.8	Very low	66 Å²	66	88.5 Å²	88.5	35%	0.346	45%	0.448	S	S	.	.	H	α-helix	trans	-71.3	-42.9	174.1	-165.1	78.9	0	0	0	110.8	N230 W236 K237	N230-L233 WeakPolarHBondContact O-CB 3.44Å; N230-L233 PolarHBondContact O-N 3.36Å; L233-W236 CarbonylContact O-C 3.55Å; L233-W236 WeakPolarHBondContact O-CA 3.39Å; L233-W236 WeakPolarHBondContact O-CB 3.45Å; L233-W236 PolarHBondContact O-N 3.42Å; L233-W236 VanDerWaalsContact O-N 3.08Å; L233-K237 WeakPolarHBondContact O-CG 3.35Å; L233-K237 PolarHBondContact O-N 3.2Å
234	E	55.6	Low	49.5	Very low	66 Å²	66	85.4 Å²	85.4	31%	0.308	44%	0.439	S	S	.	.	H	α-helix	trans	-65.3	-38.1	174.7	-66.5	-49.5	130	0	0	112.3	N230 W236 K237 R238	N230-E234 WeakPolarHBondContact O-CG 3.47Å; N230-E234 PolarHBondContact O-N 3.44Å; E234-W236 VanDerWaalsContact C-N 3.34Å; E234-K237 PolarHBondContact O-N 3.31Å; E234-K237 WeakPolarHBondContact OE1-CE 3.48Å; E234-K237 IonicContact OE1-NZ 2.98Å; E234-K237 PolarHBondContact OE1-NZ 3.11Å; E234-K237 WeakPolarHBondContact OE2-CD 3.46Å; E234-K237 IonicContact OE2-NZ 3.26Å; E234-R238 VanDerWaalsContact O-CG 3.3Å; E234-R238 WeakPolarHBondContact O-CG 3.45Å; E234-R238 PolarHBondContact O-N 2.8Å
235	Q	53.6	Low	50.2	Low	94 Å²	94	89.6 Å²	89.6	44%	0.439	46%	0.457	S	S	.	.	H	α-helix	trans	-59.9	-45.4	167.5	-82.2	-165.5	-24.2	0	0	110.8	F231 K237 R238 L239	F231-Q235 HydrophobicContact CD1-CG 4.4Å; F231-Q235 VanDerWaalsContact CE1-CD 3.44Å; F231-Q235 HydrophobicContact CE1-CG 4.05Å; F231-Q235 HydrophobicContact CZ-CG 4.13Å; F231-Q235 VanDerWaalsContact CZ-NE2 3.28Å; F231-Q235 VanDerWaalsContact O-CB 3.32Å; F231-Q235 WeakPolarHBondContact O-CB 3.05Å; F231-Q235 WeakPolarHBondContact O-CG 3.5Å; F231-Q235 PolarHBondContact O-N 3.11Å; Q235-K237 PolarHBondContact O-N 3.13Å; Q235-R238 CarbonylContact O-C 3.47Å; Q235-R238 PolarHBondContact O-N 2.89Å; Q235-L239 WeakPolarHBondContact O-CB 3.29Å; Q235-L239 WeakPolarHBondContact O-CG 3.4Å; Q235-L239 PolarHBondContact O-N 3.09Å
236	W	58.3	Low	50.8	Low	14 Å²	14	91.7 Å²	91.7	5%	0.053	45%	0.453	C	S	.	.	H	α-helix	trans	-61	-43.1	176	-86.6	128.9	0	0	0	113.8	Y50 C232 L233 E234 R238 L239 F240 L257 K260	Y50-W236 AromaticContact CD1-CH2 3.72Å; Y50-W236 HydrophobicContact CD1-CH2 3.72Å; Y50-W236 HydrophobicContact CD1-CZ3 4.4Å; Y50-W236 HydrophobicContact CE1-CH2 4.23Å; Y50-W236 HydrophobicContact CE1-CZ3 4.49Å; Y50-W236 AromaticContact CG-CH2 3.92Å; Y50-W236 HydrophobicContact CG-CH2 3.92Å; C232-W236 VanDerWaalsContact O-CD1 3.26Å; C232-W236 PolarHBondContact O-N 2.91Å; L233-W236 CarbonylContact O-C 3.55Å; L233-W236 WeakPolarHBondContact O-CA 3.39Å; L233-W236 WeakPolarHBondContact O-CB 3.45Å; L233-W236 PolarHBondContact O-N 3.42Å; L233-W236 VanDerWaalsContact O-N 3.08Å; E234-W236 VanDerWaalsContact C-N 3.34Å; W236-R238 VanDerWaalsContact C-N 3.28Å; W236-R238 PolarHBondContact O-N 3.03Å; W236-L239 HydrophobicContact CD2-CD1 4.1Å; W236-L239 HydrophobicContact CE3-CB 4.04Å; W236-L239 HydrophobicContact CE3-CD1 3.67Å; W236-L239 HydrophobicContact CZ3-CD1 4.2Å; W236-L239 PolarHBondContact O-N 3.03Å; W236-L239 VanDerWaalsContact O-N 3.11Å; W236-F240 HydrophobicContact CD2-CE2 4.47Å; W236-F240 HydrophobicContact CE3-CD2 4.19Å; W236-F240 AromaticContact CE3-CE2 3.44Å; W236-F240 HydrophobicContact CE3-CE2 3.44Å; W236-F240 VanDerWaalsContact CE3-CE2 3.44Å; W236-F240 HydrophobicContact CE3-CZ 4.12Å; W236-F240 AromaticContact CZ3-CE2 3.59Å; W236-F240 HydrophobicContact CZ3-CE2 3.59Å; W236-F240 AromaticContact CZ3-CZ 3.77Å; W236-F240 HydrophobicContact CZ3-CZ 3.77Å; W236-F240 WeakPolarHBondContact O-CD2 3.36Å; W236-F240 PolarHBondContact O-N 3.08Å; W236-L257 HydrophobicContact CZ2-CD1 3.75Å; W236-L257 VanDerWaalsContact NE1-CD2 3.33Å; W236-K260 HydrophobicContact CZ2-CD 3.58Å; W236-K260 HydrophobicContact CZ2-CG 4.09Å; W236-K260 VanDerWaalsContact NE1-NZ 3.14Å
237	K	60.2	Low	51.3	Low	65 Å²	65	90 Å²	90	28%	0.283	44%	0.437	S	S	.	.	H	α-helix	trans	-57.1	-41.4	173.6	-70.7	174	-177	174.2	0	111.9	L233 E234 Q235	L233-K237 WeakPolarHBondContact O-CG 3.35Å; L233-K237 PolarHBondContact O-N 3.2Å; E234-K237 PolarHBondContact O-N 3.31Å; E234-K237 WeakPolarHBondContact OE1-CE 3.48Å; E234-K237 IonicContact OE1-NZ 2.98Å; E234-K237 PolarHBondContact OE1-NZ 3.11Å; E234-K237 WeakPolarHBondContact OE2-CD 3.46Å; E234-K237 IonicContact OE2-NZ 3.26Å; Q235-K237 PolarHBondContact O-N 3.13Å
238	R	60.8	Low	51.9	Low	184 Å²	184	95 Å²	95	69%	0.694	45%	0.449	S	S	*	.	H	α-helix	trans	-70.3	-35.1	174.3	-67.7	173.4	-175.8	-158.2	-0.7	113.1	E234 Q235 W236 F240 E241	E234-R238 VanDerWaalsContact O-CG 3.3Å; E234-R238 WeakPolarHBondContact O-CG 3.45Å; E234-R238 PolarHBondContact O-N 2.8Å; Q235-R238 CarbonylContact O-C 3.47Å; Q235-R238 PolarHBondContact O-N 2.89Å; W236-R238 VanDerWaalsContact C-N 3.28Å; W236-R238 PolarHBondContact O-N 3.03Å; R238-F240 PolarHBondContact O-N 2.85Å; R238-F240 VanDerWaalsContact O-N 3.16Å; R238-E241 PolarHBondContact O-N 3.12Å
239	L	52.6	Low	52	Low	34 Å²	34	96.4 Å²	96.4	18%	0.178	46%	0.464	C	S	.	.	H	α-helix	trans	-67.9	-8.9	-179.4	-74.3	168.4	0	0	0	114.4	Q235 W236 R403	Q235-L239 WeakPolarHBondContact O-CB 3.29Å; Q235-L239 WeakPolarHBondContact O-CG 3.4Å; Q235-L239 PolarHBondContact O-N 3.09Å; W236-L239 HydrophobicContact CD2-CD1 4.1Å; W236-L239 HydrophobicContact CE3-CB 4.04Å; W236-L239 HydrophobicContact CE3-CD1 3.67Å; W236-L239 HydrophobicContact CZ3-CD1 4.2Å; W236-L239 PolarHBondContact O-N 3.03Å; W236-L239 VanDerWaalsContact O-N 3.11Å; L239-R403 PolarHBondContact O-NH1 3.35Å; L239-R403 PolarHBondContact O-NH2 3.27Å
240	F	57.7	Low	53	Low	54 Å²	54	95.4 Å²	95.4	24%	0.237	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	9.7	176.2	-71.4	-64.5	0	0	0	114.1	Y50 L52 W236 R238 I242	Y50-F240 HydrophobicContact CE1-CZ 4.49Å; Y50-F240 AromaticContact CE2-CZ 3.98Å; Y50-F240 HydrophobicContact CE2-CZ 3.98Å; Y50-F240 AromaticContact CZ-CZ 3.79Å; L52-F240 HydrophobicContact CD1-CE1 4.34Å; L52-F240 HydrophobicContact CD1-CE2 3.69Å; L52-F240 HydrophobicContact CD1-CZ 3.57Å; W236-F240 HydrophobicContact CD2-CE2 4.47Å; W236-F240 HydrophobicContact CE3-CD2 4.19Å; W236-F240 AromaticContact CE3-CE2 3.44Å; W236-F240 HydrophobicContact CE3-CE2 3.44Å; W236-F240 VanDerWaalsContact CE3-CE2 3.44Å; W236-F240 HydrophobicContact CE3-CZ 4.12Å; W236-F240 AromaticContact CZ3-CE2 3.59Å; W236-F240 HydrophobicContact CZ3-CE2 3.59Å; W236-F240 AromaticContact CZ3-CZ 3.77Å; W236-F240 HydrophobicContact CZ3-CZ 3.77Å; W236-F240 WeakPolarHBondContact O-CD2 3.36Å; W236-F240 PolarHBondContact O-N 3.08Å; R238-F240 PolarHBondContact O-N 2.85Å; R238-F240 VanDerWaalsContact O-N 3.16Å; F240-I242 HydrophobicContact CB-CG1 4.23Å; F240-I242 PolarHBondContact O-N 2.78Å; F240-I242 VanDerWaalsContact O-N 3.08Å
241	E	52.9	Low	53.5	Low	159 Å²	159	94.5 Å²	94.5	74%	0.743	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	45.4	174.8	-65.1	-179.7	178.2	0	0	113.1	R238 D243 R1283	R238-E241 PolarHBondContact O-N 3.12Å; E241-D243 PolarHBondContact O-N 3.18Å; E241-R1283 PolarHBondContact O-NH2 2.93Å
242	I	51.6	Low	54.7	Low	70 Å²	70	90.2 Å²	90.2	36%	0.359	42%	0.423	S	S	.	.			trans	-80.2	80.2	167.3	-49.4	178.1	0	0	0	106.7	F240 E244 K247 L255	F240-I242 HydrophobicContact CB-CG1 4.23Å; F240-I242 PolarHBondContact O-N 2.78Å; F240-I242 VanDerWaalsContact O-N 3.08Å; I242-E244 PolarHBondContact O-N 2.92Å; I242-K247 HydrophobicContact CG2-CD 4.27Å; I242-K247 HydrophobicContact CG2-CG 3.83Å; I242-K247 PolarHBondContact O-NZ 2.63Å; I242-L255 HydrophobicContact CD1-CD2 4.38Å
243	D	48.6	Very low	55.9	Low	56 Å²	56	89 Å²	89	30%	0.299	42%	0.417	S	S	.	.			trans	-17.5	109	162.1	-172.7	-22.4	0	0	0	112.9	E241 E245 K246 K247	E241-D243 PolarHBondContact O-N 3.18Å; D243-E245 VanDerWaalsContact C-N 3.33Å; D243-E245 PolarHBondContact O-N 2.92Å; D243-E245 PolarHBondContact OD1-N 3.13Å; D243-K246 HydrophobicContact CB-CB 4.16Å; D243-K246 HydrophobicContact CB-CD 4.42Å; D243-K246 HydrophobicContact CB-CG 4.41Å; D243-K246 PolarHBondContact O-N 2.97Å; D243-K246 PolarHBondContact OD1-N 3.35Å; D243-K246 VanDerWaalsContact OD2-CD 3.23Å; D243-K246 WeakPolarHBondContact OD2-CD 3.4Å; D243-K246 WeakPolarHBondContact OD2-CE 3.44Å; D243-K246 WeakPolarHBondContact OD2-CG 3.37Å; D243-K246 IonicContact OD2-NZ 2.69Å; D243-K246 PolarHBondContact OD2-NZ 2.95Å; D243-K247 PolarHBondContact O-N 3.07Å
244	E	55.1	Low	57.5	Low	99 Å²	99	88 Å²	88	46%	0.463	41%	0.413	S	S	.	.	S	Bend	trans	-66.9	-33.3	-171.4	-68	-63.3	156.3	0	0	112.4	I242 K247	I242-E244 PolarHBondContact O-N 2.92Å; E244-K247 WeakPolarHBondContact O-CB 3.33Å; E244-K247 PolarHBondContact O-N 3.09Å; E244-K247 VanDerWaalsContact O-N 3.16Å; E244-K247 IonicContact OE1-NZ 2.67Å; E244-K247 PolarHBondContact OE1-NZ 3.28Å; E244-K247 IonicContact OE2-NZ 2.68Å; E244-K247 PolarHBondContact OE2-NZ 2.81Å
245	E	51.9	Low	59.1	Low	165 Å²	165	87 Å²	87	77%	0.771	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-68.3	-41	178.9	-68.6	168.9	-179.6	0	0	109.6	D243 K247 K248	D243-E245 VanDerWaalsContact C-N 3.33Å; D243-E245 PolarHBondContact O-N 2.92Å; D243-E245 PolarHBondContact OD1-N 3.13Å; E245-K247 PolarHBondContact O-N 3.13Å; E245-K248 PolarHBondContact O-N 2.93Å
246	K	54.9	Low	60.9	Low	146 Å²	146	84.9 Å²	84.9	64%	0.635	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-72.9	-6.8	173.4	-63.2	-175.3	-176.7	61.5	0	114.5	D243	D243-K246 HydrophobicContact CB-CB 4.16Å; D243-K246 HydrophobicContact CB-CD 4.42Å; D243-K246 HydrophobicContact CB-CG 4.41Å; D243-K246 PolarHBondContact O-N 2.97Å; D243-K246 PolarHBondContact OD1-N 3.35Å; D243-K246 VanDerWaalsContact OD2-CD 3.23Å; D243-K246 WeakPolarHBondContact OD2-CD 3.4Å; D243-K246 WeakPolarHBondContact OD2-CE 3.44Å; D243-K246 WeakPolarHBondContact OD2-CG 3.37Å; D243-K246 IonicContact OD2-NZ 2.69Å; D243-K246 PolarHBondContact OD2-NZ 2.95Å
247	K	54.1	Low	62.6	Low	67 Å²	67	86 Å²	86	29%	0.291	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-75.9	-26.7	169.7	-71.5	-158.1	-170.6	72.6	0	113.2	I242 D243 E244 E245 C249	I242-K247 HydrophobicContact CG2-CD 4.27Å; I242-K247 HydrophobicContact CG2-CG 3.83Å; I242-K247 PolarHBondContact O-NZ 2.63Å; D243-K247 PolarHBondContact O-N 3.07Å; E244-K247 WeakPolarHBondContact O-CB 3.33Å; E244-K247 PolarHBondContact O-N 3.09Å; E244-K247 VanDerWaalsContact O-N 3.16Å; E244-K247 IonicContact OE1-NZ 2.67Å; E244-K247 PolarHBondContact OE1-NZ 3.28Å; E244-K247 IonicContact OE2-NZ 2.68Å; E244-K247 PolarHBondContact OE2-NZ 2.81Å; E245-K247 PolarHBondContact O-N 3.13Å; K247-C249 PolarHBondContact O-N 2.89Å
248	K	52.8	Low	64.1	Low	188 Å²	188	83.3 Å²	83.3	82%	0.817	40%	0.395	S	S	*	.	S	Bend	trans	-81.2	-16.7	-153.5	-147.8	-177.9	179.2	-166.4	0	115.8	E245	E245-K248 PolarHBondContact O-N 2.93Å
249	C	46.8	Very low	65.7	Low	105 Å²	105	75.8 Å²	75.8	71%	0.709	37%	0.367	S	S	*	.	S	Bend	trans	-124.7	-15.4	-160.1	-54.8	0	0	0	0	118.5	K247	K247-C249 PolarHBondContact O-N 2.89Å
250	I	58	Low	67.7	Low	55 Å²	55	78 Å²	78	28%	0.282	37%	0.374	S	S	.	.	S	Bend	trans	-138.1	-30.2	-165	-56.4	-176	0	0	0	115.9	N58 Q60	N58-I250 PolarHBondContact OD1-O 3.13Å; Q60-I250 HydrophobicContact CG-CG2 4.35Å
251	Y	58.6	Low	69.6	Low	111 Å²	111	77 Å²	77	44%	0.435	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.4	-161.7	-62.6	-69.8	0	0	0	114.5	R56	R56-Y251 HydrophobicContact CG-CD1 4.07Å; R56-Y251 HydrophobicContact CG-CG 4.39Å; R56-Y251 VanDerWaalsContact NE-CG 3.34Å
252	H	66.7	Low	71.7	Confident	53 Å²	53	74.4 Å²	74.4	25%	0.245	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	158.7	169.4	-70.7	-122.5	0	0	0	109.9	R56 W57 T59 Q508	R56-H252 CarbonylContact C-O 3.56Å; R56-H252 WeakPolarHBondContact CA-O 3.19Å; W57-H252 HydrophobicContact CD2-CB 4.43Å; W57-H252 HydrophobicContact CG-CB 4.47Å; W57-H252 HydrophobicContact CZ2-CB 4.26Å; W57-H252 PolarHBondContact N-O 2.87Å; W57-H252 PolarHBondContact O-N 3.36Å; T59-H252 HydrophobicContact CG2-CB 3.91Å; T59-H252 VanDerWaalsContact CG2-CD2 3.45Å; T59-H252 WeakPolarHBondContact CG2-CD2 3.3Å; T59-H252 VanDerWaalsContact CG2-CG 3.43Å; T59-H252 PolarHBondContact OG1-CD2 3.37Å; T59-H252 PolarHBondContact OG1-NE2 3.26Å; H252-Q508 PolarHBondContact ND1-NE2 2.88Å; H252-Q508 PolarHBondContact ND1-OE1 3.18Å
253	G	72.1	Confident	73.8	Confident	17 Å²	17	73 Å²	73	18%	0.175	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.8	-170	-173.5	0	0	0	0	0	112.3	T55	T55-G253 WeakPolarHBondContact O-CA 3.21Å
254	D	84.6	Confident	76	Confident	47 Å²	47	71.9 Å²	71.9	25%	0.251	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	163.7	177.4	-161.4	-3.4	0	0	0	111.5	K54 T55 I505 L639	K54-D254 WeakPolarHBondContact CA-O 3.39Å; T55-D254 PolarHBondContact N-O 3.39Å; T55-D254 PolarHBondContact O-N 2.89Å; T55-D254 PolarHBondContact OG1-N 2.83Å; D254-I505 HydrophobicContact CB-CG1 3.75Å; D254-I505 VanDerWaalsContact OD1-CG1 3.29Å; D254-I505 WeakPolarHBondContact OD1-CG1 3.45Å; D254-L639 HydrophobicContact CB-CD1 3.79Å; D254-L639 HydrophobicContact CB-CD2 3.87Å
255	L	90	Very high	77.9	Confident	43 Å²	43	67.2 Å²	67.2	23%	0.225	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	86.5	174.1	-177.3	67.7	0	0	0	109.3	L52 A53 K54 I242	L52-L255 HydrophobicContact CB-CD1 4.3Å; L52-L255 HydrophobicContact CD1-CD1 4.47Å; L52-L255 HydrophobicContact CD2-CD1 4.24Å; L52-L255 HydrophobicContact CD2-CG 4.45Å; A53-L255 CarbonylContact O-C 3.59Å; A53-L255 WeakPolarHBondContact O-CA 3.45Å; K54-L255 HydrophobicContact CB-CD1 3.91Å; K54-L255 HydrophobicContact CG-CD1 4.13Å; I242-L255 HydrophobicContact CD1-CD2 4.38Å
256	Q	91.3	Very high	79.9	Confident	51 Å²	51	60 Å²	60	24%	0.238	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.5	177.6	-174.6	-174.9	3.8	0	0	110.9	L52 A53 I258 R636 L639	L52-Q256 WeakPolarHBondContact CA-O 3.41Å; A53-Q256 HydrophobicContact CB-CB 4.38Å; A53-Q256 PolarHBondContact N-O 2.83Å; A53-Q256 PolarHBondContact O-N 3.21Å; Q256-I258 PolarHBondContact O-N 3.4Å; Q256-R636 PolarHBondContact NE2-O 2.83Å; Q256-L639 HydrophobicContact CB-CD1 3.49Å; Q256-L639 VanDerWaalsContact CB-CD1 3.49Å; Q256-L639 HydrophobicContact CB-CG 3.93Å
257	L	93	Very high	81.7	Confident	37 Å²	37	59.2 Å²	59.2	19%	0.194	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	107	167.2	-177	75	0	0	0	110	L52 W236 Y259 K260	L52-L257 HydrophobicContact CD2-CB 4.48Å; L52-L257 HydrophobicContact CD2-CD1 3.8Å; W236-L257 HydrophobicContact CZ2-CD1 3.75Å; W236-L257 VanDerWaalsContact NE1-CD2 3.33Å; L257-Y259 WeakPolarHBondContact CD1-O 3.48Å; L257-K260 HydrophobicContact CD1-CB 4.36Å; L257-K260 HydrophobicContact CD2-CB 4.05Å; L257-K260 HydrophobicContact CD2-CD 4.1Å; L257-K260 HydrophobicContact CG-CB 4.43Å
258	I	92.7	Very high	83.4	Confident	9 Å²	9	59.7 Å²	59.7	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-44	-178.8	-47	-179.9	0	0	0	110.9	G51 A53 Q256 L379 P380 I398 R636 Q637	G51-I258 PolarHBondContact O-N 2.91Å; A53-I258 HydrophobicContact CB-CD1 3.78Å; A53-I258 HydrophobicContact CB-CG1 3.95Å; Q256-I258 PolarHBondContact O-N 3.4Å; I258-L379 HydrophobicContact CG2-CD2 4.32Å; I258-P380 HydrophobicContact CD1-CG 4.1Å; I258-P380 HydrophobicContact CG2-CG 4.3Å; I258-I398 HydrophobicContact CD1-CG2 3.69Å; I258-R636 HydrophobicContact CG2-CB 3.54Å; I258-R636 WeakPolarHBondContact O-CD 3.37Å; I258-Q637 HydrophobicContact CD1-CB 4.07Å; I258-Q637 HydrophobicContact CD1-CG 4.31Å; I258-Q637 HydrophobicContact CG1-CB 4.07Å
259	Y	93.7	Very high	85.2	Confident	26 Å²	26	55.1 Å²	55.1	10%	0.102	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.5	-174.2	-178.6	-141.9	0	0	0	111.1	L49 Y50 G51 L257 P374 L375 P376 L379	L49-Y259 HydrophobicContact CD2-CE1 3.86Å; L49-Y259 HydrophobicContact CG-CD1 4.42Å; L49-Y259 HydrophobicContact CG-CE1 3.99Å; Y50-Y259 CarbonylContact C-O 3.58Å; Y50-Y259 WeakPolarHBondContact CA-O 3.39Å; Y50-Y259 VanDerWaalsContact CB-O 3.31Å; Y50-Y259 WeakPolarHBondContact CB-O 3.31Å; G51-Y259 PolarHBondContact N-O 2.78Å; G51-Y259 PolarHBondContact O-N 2.99Å; L257-Y259 WeakPolarHBondContact CD1-O 3.48Å; Y259-P374 PolarHBondContact OH-O 2.9Å; Y259-L375 HydrophobicContact CE1-CD2 3.99Å; Y259-P376 HydrophobicContact CD2-CG 3.92Å; Y259-P376 HydrophobicContact CE1-CG 4.45Å; Y259-P376 HydrophobicContact CE2-CG 3.67Å; Y259-P376 HydrophobicContact CG-CG 4.47Å; Y259-P376 VanDerWaalsContact CZ-CD 3.48Å; Y259-L379 HydrophobicContact CD1-CD1 4.14Å; Y259-L379 HydrophobicContact CD1-CD2 4.33Å; Y259-L379 HydrophobicContact CG-CD2 4.11Å
260	K	95.7	Very high	87.2	Confident	79 Å²	79	53.1 Å²	53.1	34%	0.343	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	109.7	174.2	-176	177.4	-172.7	145.7	0	110.6	W48 L49 W236 L257	W48-K260 HydrophobicContact CE3-CD 4.44Å; W48-K260 HydrophobicContact CE3-CG 4.26Å; W48-K260 HydrophobicContact CZ3-CD 4.29Å; W48-K260 HydrophobicContact CZ3-CG 4.48Å; L49-K260 CarbonylContact O-C 3.59Å; L49-K260 WeakPolarHBondContact O-CA 3.2Å; W236-K260 HydrophobicContact CZ2-CD 3.58Å; W236-K260 HydrophobicContact CZ2-CG 4.09Å; W236-K260 VanDerWaalsContact NE1-NZ 3.14Å; L257-K260 HydrophobicContact CD1-CB 4.36Å; L257-K260 HydrophobicContact CD2-CB 4.05Å; L257-K260 HydrophobicContact CD2-CD 4.1Å; L257-K260 HydrophobicContact CG-CB 4.43Å
261	S	96.1	Very high	88.7	Confident	34 Å²	34	55.5 Å²	55.5	24%	0.238	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	159.6	163.8	-166.5	0	0	0	0	110.9	W48 L49 F373	W48-S261 WeakPolarHBondContact CA-O 3.48Å; L49-S261 PolarHBondContact N-O 3.48Å; L49-S261 PolarHBondContact O-N 2.9Å; S261-F373 WeakPolarHBondContact OG-CD1 3.33Å
262	K	96.6	Very high	90.1	Very high	104 Å²	104	55 Å²	55	45%	0.452	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	125.8	-178.4	-169.3	-169.4	-168.7	-176.4	0	111.1	I46 L47 W48	I46-K262 HydrophobicContact CG2-CD 4.34Å; I46-K262 HydrophobicContact CG2-CG 4.03Å; L47-K262 WeakPolarHBondContact O-CA 3.3Å; W48-K262 HydrophobicContact CD2-CG 4.2Å; W48-K262 HydrophobicContact CE3-CB 3.61Å; W48-K262 HydrophobicContact CE3-CD 4.1Å; W48-K262 HydrophobicContact CE3-CG 3.54Å; W48-K262 HydrophobicContact CH2-CD 3.57Å; W48-K262 HydrophobicContact CH2-CG 3.98Å; W48-K262 HydrophobicContact CZ2-CD 4.3Å; W48-K262 HydrophobicContact CZ3-CB 3.55Å; W48-K262 HydrophobicContact CZ3-CD 3.42Å; W48-K262 VanDerWaalsContact CZ3-CD 3.42Å; W48-K262 HydrophobicContact CZ3-CG 3.4Å; W48-K262 VanDerWaalsContact CZ3-CG 3.4Å
263	L	96	Very high	91	Very high	40 Å²	40	57.8 Å²	57.8	21%	0.209	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.5	170	-173	60	0	0	0	109.9	L47 L265 F371 F373	L47-L263 HydrophobicContact CB-CB 4.3Å; L47-L263 PolarHBondContact N-O 2.89Å; L47-L263 PolarHBondContact O-N 2.98Å; L263-L265 HydrophobicContact CD2-CD2 3.64Å; L263-L265 HydrophobicContact CG-CD2 3.89Å; L263-F371 HydrophobicContact CD2-CB 3.68Å; L263-F373 HydrophobicContact CB-CE1 3.82Å; L263-F373 HydrophobicContact CB-CZ 3.78Å
264	D	96.1	Very high	91.7	Very high	34 Å²	34	61 Å²	61	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	93.2	179.6	-171.9	-50.9	0	0	0	107.2	L266 K267 Q268	D264-L266 PolarHBondContact O-N 2.89Å; D264-K267 HydrophobicContact CB-CB 4.18Å; D264-K267 HydrophobicContact CB-CD 4.09Å; D264-K267 HydrophobicContact CB-CG 4.28Å; D264-K267 VanDerWaalsContact CG-NZ 3.34Å; D264-K267 PolarHBondContact O-N 2.87Å; D264-K267 WeakPolarHBondContact OD1-CG 3.48Å; D264-K267 PolarHBondContact OD1-N 2.85Å; D264-K267 VanDerWaalsContact OD1-N 3.11Å; D264-K267 IonicContact OD1-NZ 2.61Å; D264-K267 IonicContact OD2-NZ 3.83Å; D264-K267 PolarHBondContact OD2-NZ 3.37Å; D264-Q268 PolarHBondContact O-N 2.82Å
265	L	94.8	Very high	91.7	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-28.3	-167.1	-64.8	173.8	0	0	0	111.4	I32 C45 L47 L263 Q268 Y269 F369	I32-L265 HydrophobicContact CD1-CD1 4Å; C45-L265 HydrophobicContact CB-CB 4.4Å; C45-L265 PolarHBondContact O-N 2.97Å; C45-L265 VanDerWaalsContact O-N 3.12Å; L47-L265 HydrophobicContact CB-CD1 4.09Å; L47-L265 HydrophobicContact CB-CG 4.3Å; L263-L265 HydrophobicContact CD2-CD2 3.64Å; L263-L265 HydrophobicContact CG-CD2 3.89Å; L265-Q268 PolarHBondContact O-N 2.74Å; L265-Y269 VanDerWaalsContact O-CB 3.25Å; L265-Y269 WeakPolarHBondContact O-CB 3.34Å; L265-Y269 PolarHBondContact O-N 2.7Å; L265-F369 HydrophobicContact CB-CD1 4.11Å; L265-F369 HydrophobicContact CB-CG 4.45Å; L265-F369 HydrophobicContact CD1-CB 3.98Å; L265-F369 HydrophobicContact CD1-CG 4.48Å; L265-F369 HydrophobicContact CD2-CB 4.31Å
266	L	93.3	Very high	91	Very high	13 Å²	13	69.4 Å²	69.4	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-69.3	-39.2	173.4	-55	-167.8	0	0	0	111.7	I42 C45 D264 N270 F360	I42-L266 HydrophobicContact CG2-CD1 4.28Å; C45-L266 HydrophobicContact CB-CD1 4.35Å; C45-L266 HydrophobicContact CB-CD2 3.62Å; C45-L266 HydrophobicContact CB-CG 3.69Å; D264-L266 PolarHBondContact O-N 2.89Å; L266-N270 VanDerWaalsContact O-CB 3.27Å; L266-N270 WeakPolarHBondContact O-CB 3.33Å; L266-N270 PolarHBondContact O-N 3.01Å; L266-N270 PolarHBondContact O-ND2 3.27Å; L266-F360 HydrophobicContact CD1-CB 3.92Å; L266-F360 HydrophobicContact CD1-CD1 4.17Å; L266-F360 HydrophobicContact CD1-CG 4.2Å; L266-F360 HydrophobicContact CD2-CD1 3.42Å; L266-F360 VanDerWaalsContact CD2-CD1 3.42Å; L266-F360 HydrophobicContact CD2-CE1 3.58Å; L266-F360 HydrophobicContact CD2-CG 4.04Å; L266-F360 HydrophobicContact CD2-CZ 4.35Å; L266-F360 HydrophobicContact CG-CD1 4.37Å
267	K	92.4	Very high	89.8	Confident	129 Å²	129	72.1 Å²	72.1	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-64.8	-44.2	173.6	-74.8	179.7	-176	63.3	0	111.7	D264 N270 N271	D264-K267 HydrophobicContact CB-CB 4.18Å; D264-K267 HydrophobicContact CB-CD 4.09Å; D264-K267 HydrophobicContact CB-CG 4.28Å; D264-K267 VanDerWaalsContact CG-NZ 3.34Å; D264-K267 PolarHBondContact O-N 2.87Å; D264-K267 WeakPolarHBondContact OD1-CG 3.48Å; D264-K267 PolarHBondContact OD1-N 2.85Å; D264-K267 VanDerWaalsContact OD1-N 3.11Å; D264-K267 IonicContact OD1-NZ 2.61Å; D264-K267 IonicContact OD2-NZ 3.83Å; D264-K267 PolarHBondContact OD2-NZ 3.37Å; K267-N270 PolarHBondContact O-N 3.23Å; K267-N271 WeakPolarHBondContact O-CB 3.21Å; K267-N271 PolarHBondContact O-N 2.89Å; K267-N271 PolarHBondContact O-ND2 3.46Å; K267-N271 PolarHBondContact O-OD1 2.91Å
268	Q	90	Very high	87.9	Confident	77 Å²	77	78.2 Å²	78.2	36%	0.36	41%	0.405	S	S	.	.	H	α-helix	trans	-60.9	-47.6	178.1	-174	179.8	-4.1	0	0	111.4	D264 L265 N271 V272	D264-Q268 PolarHBondContact O-N 2.82Å; L265-Q268 PolarHBondContact O-N 2.74Å; Q268-N271 WeakPolarHBondContact O-CB 3.49Å; Q268-N271 PolarHBondContact O-N 3.39Å; Q268-V272 WeakPolarHBondContact O-CG2 3.4Å; Q268-V272 PolarHBondContact O-N 3.49Å
269	Y	90	Very high	86.2	Confident	93 Å²	93	86.2 Å²	86.2	37%	0.365	44%	0.442	S	S	.	.	H	α-helix	trans	-64.1	-44.5	177.8	-173.4	-98.3	0	0	0	112.7	L265 N271 V272 L273 F360 F369	L265-Y269 VanDerWaalsContact O-CB 3.25Å; L265-Y269 WeakPolarHBondContact O-CB 3.34Å; L265-Y269 PolarHBondContact O-N 2.7Å; Y269-N271 VanDerWaalsContact C-N 3.3Å; Y269-N271 PolarHBondContact O-N 3.01Å; Y269-V272 PolarHBondContact O-N 2.76Å; Y269-L273 HydrophobicContact CD1-CD1 3.9Å; Y269-L273 HydrophobicContact CD1-CG 4.3Å; Y269-L273 HydrophobicContact CE1-CD1 3.38Å; Y269-L273 HydrophobicContact CE1-CG 3.96Å; Y269-L273 PolarHBondContact O-N 3.29Å; Y269-F360 AromaticContact CD1-CE2 3.6Å; Y269-F360 HydrophobicContact CD1-CE2 3.6Å; Y269-F360 AromaticContact CD1-CZ 3.42Å; Y269-F360 HydrophobicContact CD1-CZ 3.42Å; Y269-F360 VanDerWaalsContact CD1-CZ 3.42Å; Y269-F360 AromaticContact CE1-CE2 3.76Å; Y269-F360 HydrophobicContact CE1-CE2 3.76Å; Y269-F360 AromaticContact CE1-CZ 3.52Å; Y269-F360 HydrophobicContact CE1-CZ 3.52Å; Y269-F360 HydrophobicContact CG-CZ 4.38Å; Y269-F369 HydrophobicContact CD2-CE1 4.02Å; Y269-F369 HydrophobicContact CG-CE1 4.04Å
270	N	89.4	Confident	84.2	Confident	62 Å²	62	91.4 Å²	91.4	33%	0.332	47%	0.472	S	S	.	.	H	α-helix	trans	-63.6	-34.1	175.1	-79	-61.9	0	0	0	112.6	L266 K267 L273 S274	L266-N270 VanDerWaalsContact O-CB 3.27Å; L266-N270 WeakPolarHBondContact O-CB 3.33Å; L266-N270 PolarHBondContact O-N 3.01Å; L266-N270 PolarHBondContact O-ND2 3.27Å; K267-N270 PolarHBondContact O-N 3.23Å; N270-L273 PolarHBondContact O-N 3.46Å; N270-S274 VanDerWaalsContact O-CB 3.22Å; N270-S274 WeakPolarHBondContact O-CB 3.37Å; N270-S274 PolarHBondContact O-N 3.18Å; N270-S274 PolarHBondContact O-OG 2.97Å
271	N	89.2	Confident	82.2	Confident	105 Å²	105	93.9 Å²	93.9	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-61.2	-47.5	173.6	-71	-15	0	0	0	110.8	K267 Q268 Y269 L273 S274 S275	K267-N271 WeakPolarHBondContact O-CB 3.21Å; K267-N271 PolarHBondContact O-N 2.89Å; K267-N271 PolarHBondContact O-ND2 3.46Å; K267-N271 PolarHBondContact O-OD1 2.91Å; Q268-N271 WeakPolarHBondContact O-CB 3.49Å; Q268-N271 PolarHBondContact O-N 3.39Å; Y269-N271 VanDerWaalsContact C-N 3.3Å; Y269-N271 PolarHBondContact O-N 3.01Å; N271-L273 PolarHBondContact O-N 3.1Å; N271-S274 WeakPolarHBondContact CA-OG 3.44Å; N271-S274 PolarHBondContact O-N 3.27Å; N271-S274 VanDerWaalsContact O-N 3.09Å; N271-S274 PolarHBondContact O-OG 3.25Å; N271-S275 PolarHBondContact O-N 2.93Å; N271-S275 PolarHBondContact O-OG 3.47Å
272	V	88.3	Confident	79.8	Confident	102 Å²	102	99.9 Å²	99.9	62%	0.618	52%	0.517	S	S	*	.	H	α-helix	trans	-62.9	-38.4	177.9	175.2	0	0	0	0	112.3	Q268 Y269 S275	Q268-V272 WeakPolarHBondContact O-CG2 3.4Å; Q268-V272 PolarHBondContact O-N 3.49Å; Y269-V272 PolarHBondContact O-N 2.76Å; V272-S275 PolarHBondContact O-OG 3.39Å
273	L	85.9	Confident	77.5	Confident	111 Å²	111	103.7 Å²	103.7	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-70.4	-30.3	172.2	-70.6	-175.5	0	0	0	113.2	Y269 N270 N271	Y269-L273 HydrophobicContact CD1-CD1 3.9Å; Y269-L273 HydrophobicContact CD1-CG 4.3Å; Y269-L273 HydrophobicContact CE1-CD1 3.38Å; Y269-L273 HydrophobicContact CE1-CG 3.96Å; Y269-L273 PolarHBondContact O-N 3.29Å; N270-L273 PolarHBondContact O-N 3.46Å; N271-L273 PolarHBondContact O-N 3.1Å
274	S	86.8	Confident	74.9	Confident	84 Å²	84	112.2 Å²	112.2	59%	0.587	57%	0.572	S	S	*	*	H	α-helix	trans	-79.6	-24	-178.4	76.4	0	0	0	0	113.8	N270 N271 K276	N270-S274 VanDerWaalsContact O-CB 3.22Å; N270-S274 WeakPolarHBondContact O-CB 3.37Å; N270-S274 PolarHBondContact O-N 3.18Å; N270-S274 PolarHBondContact O-OG 2.97Å; N271-S274 WeakPolarHBondContact CA-OG 3.44Å; N271-S274 PolarHBondContact O-N 3.27Å; N271-S274 VanDerWaalsContact O-N 3.09Å; N271-S274 PolarHBondContact O-OG 3.25Å; S274-K276 VanDerWaalsContact C-N 3.28Å; S274-K276 PolarHBondContact O-N 2.88Å
275	S	84.7	Confident	72.2	Confident	81 Å²	81	116.9 Å²	116.9	57%	0.566	60%	0.602	S	S	*	*	S	Bend	trans	-71	83.6	173	46.7	0	0	0	0	110.5	N271 V272	N271-S275 PolarHBondContact O-N 2.93Å; N271-S275 PolarHBondContact O-OG 3.47Å; V272-S275 PolarHBondContact O-OG 3.39Å
276	K	74.2	Confident	69.6	Low	185 Å²	185	122.1 Å²	122.1	80%	0.804	63%	0.634	S	S	*	*			trans	-49.7	137.6	168.5	-65.9	-174.1	177.6	-173.1	0	109.7	S274 M278	S274-K276 VanDerWaalsContact C-N 3.28Å; S274-K276 PolarHBondContact O-N 2.88Å; K276-M278 PolarHBondContact O-N 3.45Å
277	P	67.9	Low	67.2	Low	109 Å²	109	129.3 Å²	129.3	71%	0.708	67%	0.672	S	S	*	*			trans	-58.7	133.6	173.1	25.9	-33.8	0	0	0	109.7	E279	P277-E279 VanDerWaalsContact C-N 3.29Å; P277-E279 PolarHBondContact O-N 3.4Å
278	M	51.7	Low	64.4	Low	164 Å²	164	130 Å²	130	81%	0.808	68%	0.682	S	S	*	*			trans	-77.5	81.4	173.1	-82.5	-161.2	68.8	0	0	110.5	K276 N280	K276-M278 PolarHBondContact O-N 3.45Å; M278-N280 VanDerWaalsContact C-N 3.3Å; M278-N280 HydrophobicContact CE-CB 4.38Å; M278-N280 PolarHBondContact O-N 3.35Å
279	E	57.7	Low	62	Low	177 Å²	177	133.1 Å²	133.1	83%	0.827	71%	0.707	S	S	*	*			trans	-64.3	90.2	160.9	-66.7	-177.8	144.2	0	0	109.1	P277	P277-E279 VanDerWaalsContact C-N 3.29Å; P277-E279 PolarHBondContact O-N 3.4Å
280	N	52.3	Low	59.5	Low	136 Å²	136	135.7 Å²	135.7	73%	0.727	73%	0.725	S	S	*	*			trans	-158.7	44.8	177.6	-110	-41.9	0	0	0	113	M278	M278-N280 VanDerWaalsContact C-N 3.3Å; M278-N280 HydrophobicContact CE-CB 4.38Å; M278-N280 PolarHBondContact O-N 3.35Å
281	I	52.5	Low	57	Low	130 Å²	130	141 Å²	141	67%	0.667	75%	0.748	S	S	*	*			trans	-139.1	92.5	165.4	-54.3	178	0	0	0	108.3
282	D	47	Very low	54.4	Low	161 Å²	161	141.3 Å²	141.3	86%	0.861	75%	0.754	S	S	*	*			trans	-165.1	64.8	161.3	-116.5	-18.1	0	0	0	112.2
283	Q	46.4	Very low	51.8	Low	183 Å²	183	143 Å²	143	86%	0.855	76%	0.758	S	S	*	*			trans	-162.3	70.2	169.2	-131.1	161.3	98.2	0	0	114.3
284	F	41.3	Very low	49.5	Very low	220 Å²	220	145.9 Å²	145.9	97%	0.965	77%	0.767	S	S	*	*			trans	-139.1	123.7	152.8	-103.6	-76.6	0	0	0	110.4
285	T	41.2	Very low	47	Very low	132 Å²	132	147.7 Å²	147.7	81%	0.81	77%	0.77	S	S	*	*			trans	-82.3	139.9	-160.4	-46.7	0	0	0	0	113
286	T	39.2	Very low	44.8	Very low	110 Å²	110	149.5 Å²	149.5	68%	0.675	77%	0.773	S	S	*	*			trans	-51.6	142.7	170.4	53.1	0	0	0	0	113.5
287	N	42	Very low	43	Very low	165 Å²	165	147.1 Å²	147.1	88%	0.882	77%	0.769	S	S	*	*			trans	-148.5	125.7	138.2	-99.1	-39.2	0	0	0	110
288	N	35.2	Very low	41.5	Very low	142 Å²	142	150.6 Å²	150.6	76%	0.759	78%	0.775	S	S	*	*			trans	-82.6	153.8	-180	-58.4	-40.1	0	0	0	110.8
289	T	38.7	Very low	40.9	Very low	144 Å²	144	149 Å²	149	88%	0.883	77%	0.769	S	S	*	*				-155.8	141.1	125.9	-71.7	0	0	0	0	108.5
290	I	37.1	Very low	39.9	Very low	146 Å²	146	147.1 Å²	147.1	75%	0.749	77%	0.765	S	S	*	*			trans	-100.4	139	-179	-60.1	161.2	0	0	0	107.5
291	E	37.7	Very low	39.2	Very low	175 Å²	175	149.2 Å²	149.2	82%	0.818	77%	0.768	S	S	*	*				176.5	113.1	126.5	-95.1	-176.6	-170.3	0	0	113.9
292	T	34	Very low	38.3	Very low	110 Å²	110	147.6 Å²	147.6	68%	0.675	77%	0.768	S	S	*	*			trans	39.6	135.3	131.2	21.7	0	0	0	0	124.3
293	L	34.7	Very low	37.7	Very low	137 Å²	137	144.9 Å²	144.9	72%	0.717	76%	0.761	S	S	*	*			trans	86.7	104.3	141.9	-65.4	163.3	0	0	0	120.7
294	K	36.2	Very low	37.3	Very low	173 Å²	173	143 Å²	143	75%	0.752	76%	0.757	S	S	*	*				85	129.7	122.7	-78.9	-174.7	178.6	-179.2	0	122.2
295	N	35.8	Very low	37.1	Very low	122 Å²	122	139.2 Å²	139.2	65%	0.652	75%	0.747	S	S	*	*			trans	88.6	124.3	135.9	-81.5	60.2	0	0	0	120.9
296	D	37.3	Very low	36.8	Very low	118 Å²	118	139.6 Å²	139.6	63%	0.631	74%	0.743	S	S	*	*			trans	72.9	97.8	136.8	-53.7	-24.6	0	0	0	120.7
297	N	36.2	Very low	36.5	Very low	135 Å²	135	142.3 Å²	142.3	72%	0.722	75%	0.748	S	S	*	*				49.2	108.9	117.8	-58.6	-46.3	0	0	0	118
298	H	38.2	Very low	36.2	Very low	182 Å²	182	144.1 Å²	144.1	84%	0.843	74%	0.744	S	S	*	*				-155	118.8	112.7	-117.1	-73.3	0	0	0	115.3
299	L	38.8	Very low	36.3	Very low	130 Å²	130	144.1 Å²	144.1	68%	0.681	74%	0.739	S	S	*	*			trans	-21.7	147.9	160.9	-75.3	145	0	0	0	119.7
300	N	35.8	Very low	36.2	Very low	139 Å²	139	148.6 Å²	148.6	74%	0.743	74%	0.741	S	S	*	*			trans	76.6	149.5	147.1	-71	-30.2	0	0	0	117.7
301	K	37.2	Very low	36.1	Very low	180 Å²	180	147 Å²	147	78%	0.783	73%	0.734	S	S	*	*			cis	-155.2	154.5	24	-151.1	179.3	-179.1	-172.9	0	115.3
302	S	34.8	Very low	36	Very low	96 Å²	96	143.6 Å²	143.6	67%	0.671	72%	0.717	S	S	*	*			trans	59.3	110.5	148.7	51.4	0	0	0	0	120.1
303	S	34.1	Very low	36	Very low	103 Å²	103	148.1 Å²	148.1	72%	0.72	73%	0.727	S	S	*	*			trans	-37.1	164.5	140.1	-32.5	0	0	0	0	115
304	N	37.4	Very low	35.8	Very low	145 Å²	145	148.4 Å²	148.4	78%	0.775	73%	0.73	S	S	*	*			trans	-161.6	104.7	136	-104	17.2	0	0	0	109.1
305	D	37	Very low	35.8	Very low	140 Å²	140	148.1 Å²	148.1	75%	0.749	74%	0.735	S	S	*	*			trans	24.8	112.6	136.1	-37.6	-30.5	0	0	0	118.7
306	I	35.6	Very low	35.7	Very low	139 Å²	139	149 Å²	149	71%	0.713	74%	0.74	S	S	*	*			trans	-133.6	89.8	148.4	-57	-176.3	0	0	0	109.2	Y308	I306-Y308 HydrophobicContact CG2-CD2 4.11Å; I306-Y308 HydrophobicContact CG2-CE2 3.59Å
307	E	33.4	Very low	35.7	Very low	168 Å²	168	152.1 Å²	152.1	79%	0.785	75%	0.751	S	S	*	*			trans	-11.6	123.3	143.4	-179.8	-178	-170.2	0	0	116.3
308	Y	34.3	Very low	35.7	Very low	202 Å²	202	153.7 Å²	153.7	79%	0.792	75%	0.754	S	S	*	*			trans	-135.8	87.1	163.4	-88.4	-75.5	0	0	0	113.1	I306	I306-Y308 HydrophobicContact CG2-CD2 4.11Å; I306-Y308 HydrophobicContact CG2-CE2 3.59Å
309	H	37.8	Very low	35.8	Very low	143 Å²	143	151.1 Å²	151.1	66%	0.662	75%	0.751	S	S	*	*			trans	-7.8	119.6	141	-139.4	-76.5	0	0	0	115.4	D311	H309-D311 IonicContact CE1-OD2 2.7Å; H309-D311 PolarHBondContact CE1-OD2 3.5Å; H309-D311 IonicContact ND1-OD2 3.24Å
310	Y	36.8	Very low	35.8	Very low	237 Å²	237	151.3 Å²	151.3	93%	0.929	75%	0.753	S	S	*	*			trans	-100.6	97.9	170.8	-116.7	-85.3	0	0	0	110.2
311	D	35.6	Very low	36.1	Very low	112 Å²	112	154.3 Å²	154.3	60%	0.599	76%	0.759	S	S	*	*			trans	-127.7	98	179.4	-134.5	-30.1	0	0	0	113.4	H309	H309-D311 IonicContact CE1-OD2 2.7Å; H309-D311 PolarHBondContact CE1-OD2 3.5Å; H309-D311 IonicContact ND1-OD2 3.24Å
312	K	36.1	Very low	36.2	Very low	105 Å²	105	152.8 Å²	152.8	46%	0.457	76%	0.76	S	S	.	*			trans	15.9	108.8	144.7	-175.9	-170.6	173.8	-164.7	0	117.8	I189 Q190 N191	I189-K312 VanDerWaalsContact CG2-NZ 3.33Å; Q190-K312 PolarHBondContact O-NZ 3.39Å; N191-K312 PolarHBondContact OD1-NZ 3.35Å; N191-K312 VanDerWaalsContact OD1-NZ 3.12Å
313	F	32.7	Very low	36	Very low	205 Å²	205	155.8 Å²	155.8	90%	0.899	77%	0.765	S	S	*	*			trans	-136	136.2	157.8	-102.7	-86.3	0	0	0	113.7
314	N	31.7	Very low	36.2	Very low	143 Å²	143	156.8 Å²	156.8	77%	0.765	77%	0.769	S	S	*	*			trans	-83.2	147.8	165	-68.7	-51.5	0	0	0	110
315	L	36.3	Very low	36.1	Very low	167 Å²	167	153.5 Å²	153.5	87%	0.874	76%	0.757	S	S	*	*			trans	-154.4	153.7	139.3	-146.3	63.6	0	0	0	113.6
316	N	32.4	Very low	36.2	Very low	139 Å²	139	153.5 Å²	153.5	74%	0.743	76%	0.757	S	S	*	*			trans	-79.7	151.1	172.8	-48.8	-67.5	0	0	0	111
317	E	37.5	Very low	36.3	Very low	185 Å²	185	153.4 Å²	153.4	86%	0.864	76%	0.758	S	S	*	*			trans	-100.4	107.6	150.7	-85.1	-159.8	124.1	0	0	110.6
318	Q	37.2	Very low	36.7	Very low	168 Å²	168	150.8 Å²	150.8	79%	0.785	75%	0.754	S	S	*	*			trans	-79.2	117.5	160	-70.6	178.1	-27.5	0	0	108.8
319	T	38.6	Very low	37	Very low	127 Å²	127	147.6 Å²	147.6	78%	0.779	75%	0.75	S	S	*	*			trans	-103.6	89.4	167	36.1	0	0	0	0	110.8	K321	T319-K321 PolarHBondContact O-N 2.96Å
320	N	39.3	Very low	37.1	Very low	134 Å²	134	149.2 Å²	149.2	72%	0.717	76%	0.756	S	S	*	*			trans	-60.1	119	170.6	-76.7	-43.5	0	0	0	110.9
321	K	43.5	Very low	37.1	Very low	203 Å²	203	147 Å²	147	88%	0.883	75%	0.751	S	S	*	*			trans	-133.7	129.4	150.3	-72.8	-166.2	176.4	178.9	0	109.4	T319	T319-K321 PolarHBondContact O-N 2.96Å
322	N	38.9	Very low	37.2	Very low	148 Å²	148	152.7 Å²	152.7	79%	0.791	77%	0.765	S	S	*	*			trans	-79.6	148.8	-161.6	-59.3	-27	0	0	0	112.9
323	M	30.4	Very low	37.1	Very low	158 Å²	158	157.2 Å²	157.2	78%	0.778	78%	0.781	S	S	*	*			trans	-62.5	159.1	150.2	-83.7	-156.1	116.4	0	0	110.3
324	P	38.7	Very low	37.3	Very low	125 Å²	125	154 Å²	154	81%	0.812	77%	0.774	S	S	*	*				-125.3	144.3	95.7	35.7	-31.7	0	0	0	113.4
325	S	34.8	Very low	37.9	Very low	75 Å²	75	154.5 Å²	154.5	52%	0.524	78%	0.775	S	S	.	*			trans	-77.3	144.2	164.9	46.6	0	0	0	0	111.3
326	N	39.3	Very low	37.9	Very low	141 Å²	141	153.9 Å²	153.9	75%	0.754	77%	0.772	S	S	*	*				169.9	119.5	127.8	-84.9	-38.2	0	0	0	108.7
327	N	37.9	Very low	38.2	Very low	137 Å²	137	153.6 Å²	153.6	73%	0.733	77%	0.77	S	S	*	*				88	150.6	62.6	-164.3	5.9	0	0	0	112.1
328	T	41.5	Very low	38.5	Very low	113 Å²	113	151.6 Å²	151.6	69%	0.693	77%	0.766	S	S	*	*			trans	83.7	97.1	177.4	70.4	0	0	0	0	120.3
329	N	39.9	Very low	38.8	Very low	134 Å²	134	149.1 Å²	149.1	72%	0.717	76%	0.758	S	S	*	*				61.2	128.9	115.1	-80.8	-50.8	0	0	0	124.5
330	K	40.2	Very low	38.9	Very low	178 Å²	178	149.7 Å²	149.7	77%	0.774	76%	0.756	S	S	*	*			trans	82.4	119.3	135.9	-71.3	172.2	-178.8	174.9	0	121.8
331	K	37.3	Very low	39.1	Very low	191 Å²	191	149.3 Å²	149.3	83%	0.83	75%	0.754	S	S	*	*			trans	57.7	125.9	137.9	-66	-169.8	172.6	-165.5	0	120
332	Y	36.1	Very low	39.2	Very low	230 Å²	230	145.6 Å²	145.6	90%	0.902	75%	0.748	S	S	*	*				-151.1	173.9	103.6	-123.5	-91.5	0	0	0	110.3
333	Y	34.7	Very low	39.5	Very low	201 Å²	201	143.7 Å²	143.7	79%	0.788	75%	0.747	S	S	*	*			trans	-138.3	170.9	-172.7	-125.7	-89.6	0	0	0	110.7
334	D	38	Very low	40.2	Very low	138 Å²	138	144.9 Å²	144.9	74%	0.738	75%	0.751	S	S	*	*			trans	82.7	149	158.3	-60.4	-45.2	0	0	0	122.6
335	L	42.5	Very low	40.5	Very low	153 Å²	153	148.5 Å²	148.5	80%	0.801	75%	0.753	S	S	*	*			trans	101.5	86.1	171.2	-56.7	178.8	0	0	0	115.1
336	L	38.3	Very low	41	Very low	154 Å²	154	153.4 Å²	153.4	81%	0.806	77%	0.773	S	S	*	*				58.3	108.7	82.7	-66.8	171.2	0	0	0	112.5
337	N	36.9	Very low	41.2	Very low	132 Å²	132	155 Å²	155	71%	0.706	78%	0.776	S	S	*	*			cis	96	103.4	35.9	-175.5	90.4	0	0	0	113.6
338	D	44.1	Very low	41.8	Very low	144 Å²	144	153.7 Å²	153.7	77%	0.77	78%	0.775	S	S	*	*			trans	-157.7	109.5	160.7	-116.5	-34.3	0	0	0	112.5
339	N	42.9	Very low	42.2	Very low	116 Å²	116	153.5 Å²	153.5	62%	0.62	78%	0.778	S	S	*	*				31.5	121.6	129.3	-56.9	-47.9	0	0	0	118.8
340	N	42.5	Very low	43	Very low	138 Å²	138	154 Å²	154	74%	0.738	78%	0.78	S	S	*	*				-176.8	157.5	66.2	-100.6	-21.3	0	0	0	114.9
341	D	43.3	Very low	43.8	Very low	127 Å²	127	151.8 Å²	151.8	68%	0.679	78%	0.776	S	S	*	*			trans	56.4	120.7	144.1	-74.5	-41.6	0	0	0	126.1
342	T	44.5	Very low	45.1	Very low	124 Å²	124	152.7 Å²	152.7	76%	0.761	78%	0.78	S	S	*	*			trans	83.2	144.8	134.5	62.1	0	0	0	0	123.9
343	S	46.5	Very low	46.3	Very low	109 Å²	109	150 Å²	150	76%	0.762	78%	0.775	S	S	*	*			trans	78.5	111.6	166.3	70.8	0	0	0	0	120
344	E	43.8	Very low	47.3	Very low	183 Å²	183	143.6 Å²	143.6	86%	0.855	77%	0.77	S	S	*	*			trans	23.6	110.7	141.4	-56.3	-176.7	139.6	0	0	120.5
345	K	46.5	Very low	48.9	Very low	200 Å²	200	148.3 Å²	148.3	87%	0.87	78%	0.777	S	S	*	*			trans	-162.3	135.8	130.2	-112.9	143.9	-170.2	156.6	0	114	Q347	K345-Q347 PolarHBondContact O-N 3.24Å
346	L	43.7	Very low	50.3	Low	179 Å²	179	147.3 Å²	147.3	94%	0.937	78%	0.778	S	S	*	*			trans	-63.6	101.5	165.3	-71.2	162.3	0	0	0	109.3
347	Q	45.1	Very low	52	Low	174 Å²	174	148.3 Å²	148.3	81%	0.813	78%	0.775	S	S	*	*			trans	-81.3	123.8	167.3	-74.3	-167.1	-8.6	0	0	109.8	K345	K345-Q347 PolarHBondContact O-N 3.24Å
348	P	50.1	Low	54.1	Low	109 Å²	109	147.7 Å²	147.7	71%	0.708	78%	0.777	S	S	*	*			trans	-66.5	138.1	169.2	28.9	-33.3	0	0	0	109.5	I350	P348-I350 PolarHBondContact O-N 2.79Å; P348-I350 VanDerWaalsContact O-N 3.09Å
349	S	49.7	Very low	56.1	Low	109 Å²	109	146.5 Å²	146.5	76%	0.762	77%	0.765	S	S	*	*			trans	-59.2	113.1	-179.9	53.3	0	0	0	0	111.3	D351	S349-D351 PolarHBondContact O-N 3.28Å
350	I	56.5	Low	58.5	Low	146 Å²	146	142.2 Å²	142.2	75%	0.749	74%	0.741	S	S	*	*			trans	-75.8	96.1	177.4	-56.9	176.8	0	0	0	108.6	P348 K352	P348-I350 PolarHBondContact O-N 2.79Å; P348-I350 VanDerWaalsContact O-N 3.09Å; I350-K352 PolarHBondContact O-N 3.31Å
351	D	56.1	Low	61	Low	131 Å²	131	138.7 Å²	138.7	70%	0.701	72%	0.724	S	S	*	*			trans	-53.2	129.8	166.6	-82.8	-33.6	0	0	0	109.5	S349 H353 G354	S349-D351 PolarHBondContact O-N 3.28Å; D351-H353 CarbonylContact O-C 3.52Å; D351-H353 PolarHBondContact O-N 2.58Å; D351-G354 PolarHBondContact O-N 3.28Å
352	K	65	Low	63.4	Low	209 Å²	209	132.8 Å²	132.8	91%	0.909	69%	0.693	S	S	*	*	S	Bend	trans	-68.6	9	-169.2	-67.4	-178.3	177.8	176.1	0	114.9	I350	I350-K352 PolarHBondContact O-N 3.31Å
353	H	62.2	Low	65.9	Low	175 Å²	175	130.7 Å²	130.7	81%	0.81	68%	0.679	S	S	*	*	S	Bend	trans	-124.3	73.8	166.8	-68	-10.1	0	0	0	108.5	D351 R355	D351-H353 CarbonylContact O-C 3.52Å; D351-H353 PolarHBondContact O-N 2.58Å; H353-R355 PolarHBondContact O-N 2.92Å
354	G	55.8	Low	68.2	Low	65 Å²	65	134.3 Å²	134.3	67%	0.67	68%	0.677	S	S	*	*			trans	-66.6	38.3	-166.7	0	0	0	0	0	118	D351 T356	D351-G354 PolarHBondContact O-N 3.28Å; G354-T356 VanDerWaalsContact C-N 3.33Å; G354-T356 PolarHBondContact O-N 2.84Å; G354-T356 VanDerWaalsContact O-N 3.14Å
355	R	71.3	Confident	70.7	Confident	238 Å²	238	127.3 Å²	127.3	90%	0.898	65%	0.654	S	S	*	*			trans	-74.8	90.7	157.8	-71.9	-172.4	179.1	-168.8	0.2	107.9	H353 K357	H353-R355 PolarHBondContact O-N 2.92Å; R355-K357 PolarHBondContact O-N 2.96Å; R355-K357 VanDerWaalsContact O-N 3.12Å
356	T	72.5	Confident	73.1	Confident	131 Å²	131	123.3 Å²	123.3	80%	0.804	64%	0.64	S	S	*	*			trans	-51.4	119.5	165.8	42.6	0	0	0	0	108.5	G354 T358	G354-T356 VanDerWaalsContact C-N 3.33Å; G354-T356 PolarHBondContact O-N 2.84Å; G354-T356 VanDerWaalsContact O-N 3.14Å; T356-T358 PolarHBondContact O-N 3.19Å; T356-T358 VanDerWaalsContact O-N 3.15Å
357	K	74.2	Confident	75.7	Confident	175 Å²	175	116.3 Å²	116.3	76%	0.761	60%	0.603	S	S	*	*			trans	-60.6	121.8	173	-68.8	176.6	-176	169.3	0	106.9	R355 K359	R355-K357 PolarHBondContact O-N 2.96Å; R355-K357 VanDerWaalsContact O-N 3.12Å; K357-K359 PolarHBondContact O-N 3.3Å
358	T	79.5	Confident	78.1	Confident	120 Å²	120	111 Å²	111	74%	0.736	58%	0.582	S	S	*	*			trans	-63.2	105	175.8	46.9	0	0	0	0	108.2	T356 F360	T356-T358 PolarHBondContact O-N 3.19Å; T356-T358 VanDerWaalsContact O-N 3.15Å; T358-F360 PolarHBondContact O-N 2.86Å
359	K	85.9	Confident	80.4	Confident	118 Å²	118	106.3 Å²	106.3	51%	0.513	55%	0.551	S	S	.	*			trans	-54.5	137.4	170.5	-68.1	-163.9	-178.2	-169.1	0	108.8	E41 K357	E41-K359 HydrophobicContact CG-CD 4.42Å; E41-K359 VanDerWaalsContact OE1-CD 3.24Å; E41-K359 WeakPolarHBondContact OE1-CD 3.37Å; E41-K359 IonicContact OE1-NZ 2.68Å; E41-K359 PolarHBondContact OE1-NZ 2.95Å; E41-K359 IonicContact OE2-NZ 2.73Å; E41-K359 PolarHBondContact OE2-NZ 3.25Å; K357-K359 PolarHBondContact O-N 3.3Å
360	F	93.6	Very high	82.6	Confident	27 Å²	27	108.2 Å²	108.2	12%	0.118	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115	176	-171.6	-102.9	0	0	0	108.6	I42 L266 Y269 T358 L362 F369	I42-F360 PolarHBondContact N-O 3.25Å; I42-F360 PolarHBondContact O-N 2.8Å; L266-F360 HydrophobicContact CD1-CB 3.92Å; L266-F360 HydrophobicContact CD1-CD1 4.17Å; L266-F360 HydrophobicContact CD1-CG 4.2Å; L266-F360 HydrophobicContact CD2-CD1 3.42Å; L266-F360 VanDerWaalsContact CD2-CD1 3.42Å; L266-F360 HydrophobicContact CD2-CE1 3.58Å; L266-F360 HydrophobicContact CD2-CG 4.04Å; L266-F360 HydrophobicContact CD2-CZ 4.35Å; L266-F360 HydrophobicContact CG-CD1 4.37Å; Y269-F360 AromaticContact CD1-CE2 3.6Å; Y269-F360 HydrophobicContact CD1-CE2 3.6Å; Y269-F360 AromaticContact CD1-CZ 3.42Å; Y269-F360 HydrophobicContact CD1-CZ 3.42Å; Y269-F360 VanDerWaalsContact CD1-CZ 3.42Å; Y269-F360 AromaticContact CE1-CE2 3.76Å; Y269-F360 HydrophobicContact CE1-CE2 3.76Å; Y269-F360 AromaticContact CE1-CZ 3.52Å; Y269-F360 HydrophobicContact CE1-CZ 3.52Å; Y269-F360 HydrophobicContact CG-CZ 4.38Å; T358-F360 PolarHBondContact O-N 2.86Å; F360-L362 HydrophobicContact CD1-CD2 4.2Å; F360-L362 HydrophobicContact CE1-CD2 3.56Å; F360-L362 HydrophobicContact CE1-CG 4.42Å; F360-L362 HydrophobicContact CZ-CD2 4.5Å; F360-F369 HydrophobicContact CE1-CZ 4.46Å
361	T	94.7	Very high	84.6	Confident	64 Å²	64	101.6 Å²	101.6	39%	0.393	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.9	177.8	-53.5	0	0	0	0	109	D39 T40 T363	D39-T361 HydrophobicContact CB-CG2 4.06Å; T40-T361 WeakPolarHBondContact O-CA 3.42Å; T361-T363 PolarHBondContact O-N 2.94Å
362	L	95	Very high	86.6	Confident	3 Å²	3	101.7 Å²	101.7	2%	0.016	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	109.2	162.8	-70	-173.5	0	0	0	107.7	I34 T36 D39 T40 I42 F360 H367 F369	I34-L362 HydrophobicContact CB-CD1 4.4Å; I34-L362 HydrophobicContact CD1-CD1 4.49Å; I34-L362 HydrophobicContact CG2-CD1 3.7Å; T36-L362 HydrophobicContact CG2-CB 4.2Å; T36-L362 HydrophobicContact CG2-CD1 4.03Å; D39-L362 CarbonylContact C-O 3.57Å; D39-L362 WeakPolarHBondContact CA-O 3.5Å; T40-L362 PolarHBondContact N-O 3.12Å; T40-L362 PolarHBondContact O-N 2.99Å; I42-L362 HydrophobicContact CD1-CD1 3.48Å; I42-L362 VanDerWaalsContact CD1-CD1 3.48Å; I42-L362 HydrophobicContact CD1-CG 3.89Å; F360-L362 HydrophobicContact CD1-CD2 4.2Å; F360-L362 HydrophobicContact CE1-CD2 3.56Å; F360-L362 HydrophobicContact CE1-CG 4.42Å; F360-L362 HydrophobicContact CZ-CD2 4.5Å; L362-H367 HydrophobicContact CD2-CB 4.38Å; L362-F369 HydrophobicContact CD2-CE2 4.33Å; L362-F369 HydrophobicContact CD2-CZ 4.06Å
363	T	95.9	Very high	88.1	Confident	79 Å²	79	92 Å²	92	49%	0.485	46%	0.462	S	S	.	.			trans	-61.5	146.8	169.9	55.7	0	0	0	0	110.1	T36 D39 T361 G365 H367	T36-T363 PolarHBondContact OG1-O 2.94Å; D39-T363 WeakPolarHBondContact OD1-CA 3.39Å; T361-T363 PolarHBondContact O-N 2.94Å; T363-G365 PolarHBondContact O-N 2.97Å; T363-H367 PolarHBondContact O-CE1 2.85Å; T363-H367 VanDerWaalsContact O-CE1 3.31Å; T363-H367 PolarHBondContact O-NE2 2.86Å
364	R	95.7	Very high	89.7	Confident	186 Å²	186	86.6 Å²	86.6	70%	0.702	44%	0.443	S	S	*	.	S	Bend	trans	-46.8	140.1	172.5	64.5	-176.3	-174.9	164.2	1.5	112.4	T36 E37 D39	T36-R364 CarbonylContact O-C 3.53Å; T36-R364 WeakPolarHBondContact O-CA 3.46Å; E37-R364 VanDerWaalsContact O-CB 3.24Å; E37-R364 WeakPolarHBondContact O-CB 3.48Å; D39-R364 PolarHBondContact OD1-N 2.78Å
365	G	96.5	Very high	91.7	Very high	36 Å²	36	83.9 Å²	83.9	37%	0.371	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.8	-155.7	-173.2	0	0	0	0	0	113.5	T36 T363	T36-G365 PolarHBondContact N-O 3.02Å; T36-G365 PolarHBondContact O-N 2.88Å; T36-G365 PolarHBondContact OG1-O 3.05Å; T363-G365 PolarHBondContact O-N 2.97Å
366	I	97.1	Very high	92.9	Very high	116 Å²	116	73.5 Å²	73.5	60%	0.595	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	120	-177	-55.4	-176.9	0	0	0	108.6	V33 K35	V33-I366 HydrophobicContact CG1-CG2 3.41Å; V33-I366 VanDerWaalsContact CG1-CG2 3.41Å; K35-I366 HydrophobicContact CG-CG1 4.15Å; K35-I366 HydrophobicContact CG-CG2 4.26Å
367	H	96.6	Very high	93.9	Very high	31 Å²	31	69.1 Å²	69.1	14%	0.144	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.3	176.2	-55.9	-87.4	0	0	0	109.9	V33 I34 L362 T363 F369	V33-H367 CarbonylContact C-O 3.45Å; V33-H367 WeakPolarHBondContact CA-O 3.5Å; I34-H367 HydrophobicContact CB-CB 4.5Å; I34-H367 PolarHBondContact N-O 3.03Å; I34-H367 PolarHBondContact O-N 2.88Å; L362-H367 HydrophobicContact CD2-CB 4.38Å; T363-H367 PolarHBondContact O-CE1 2.85Å; T363-H367 VanDerWaalsContact O-CE1 3.31Å; T363-H367 PolarHBondContact O-NE2 2.86Å; H367-F369 HydrophobicContact CB-CD2 4.3Å; H367-F369 HydrophobicContact CB-CE2 3.57Å; H367-F369 HydrophobicContact CB-CZ 4.24Å
368	V	97.1	Very high	94.8	Very high	62 Å²	62	63.7 Å²	63.7	38%	0.376	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.1	179.6	-176	0	0	0	0	109.2	H31 I32 Y370	H31-V368 HydrophobicContact CB-CG1 3.86Å; I32-V368 WeakPolarHBondContact O-CA 3.27Å; V368-Y370 HydrophobicContact CG1-CD2 4.36Å; V368-Y370 HydrophobicContact CG1-CE2 3.81Å
369	F	97.3	Very high	95.5	Very high	12 Å²	12	58 Å²	58	5%	0.053	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	106.9	180	-64.8	-87	0	0	0	109.9	H31 I32 I34 L265 Y269 F360 L362 H367	H31-F369 CarbonylContact C-O 3.56Å; H31-F369 WeakPolarHBondContact CA-O 3.44Å; I32-F369 PolarHBondContact N-O 2.86Å; I32-F369 PolarHBondContact O-N 2.83Å; I34-F369 HydrophobicContact CD1-CD2 3.93Å; I34-F369 HydrophobicContact CD1-CE2 3.84Å; I34-F369 HydrophobicContact CG1-CD2 4.47Å; L265-F369 HydrophobicContact CB-CD1 4.11Å; L265-F369 HydrophobicContact CB-CG 4.45Å; L265-F369 HydrophobicContact CD1-CB 3.98Å; L265-F369 HydrophobicContact CD1-CG 4.48Å; L265-F369 HydrophobicContact CD2-CB 4.31Å; Y269-F369 HydrophobicContact CD2-CE1 4.02Å; Y269-F369 HydrophobicContact CG-CE1 4.04Å; F360-F369 HydrophobicContact CE1-CZ 4.46Å; L362-F369 HydrophobicContact CD2-CE2 4.33Å; L362-F369 HydrophobicContact CD2-CZ 4.06Å; H367-F369 HydrophobicContact CB-CD2 4.3Å; H367-F369 HydrophobicContact CB-CE2 3.57Å; H367-F369 HydrophobicContact CB-CZ 4.24Å
370	Y	97.1	Very high	95.9	Very high	149 Å²	149	52.4 Å²	52.4	58%	0.584	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	142.8	175.5	-64.6	-89.8	0	0	0	111.1	G30 H31 V368	G30-Y370 WeakPolarHBondContact O-CA 3.18Å; H31-Y370 HydrophobicContact CB-CD1 3.75Å; H31-Y370 HydrophobicContact CB-CE1 3.9Å; H31-Y370 HydrophobicContact CB-CG 4.25Å; V368-Y370 HydrophobicContact CG1-CD2 4.36Å; V368-Y370 HydrophobicContact CG1-CE2 3.81Å
371	F	97.5	Very high	95.9	Very high	7 Å²	7	51.5 Å²	51.5	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	158.1	177.8	68.1	-93.4	0	0	0	111.3	I13 I15 A29 G30 I32 L47 L263 F373 V402	I13-F371 HydrophobicContact CG2-CE1 4.26Å; I13-F371 HydrophobicContact CG2-CZ 4.15Å; I15-F371 HydrophobicContact CG1-CZ 4.36Å; A29-F371 WeakPolarHBondContact CA-O 3.19Å; G30-F371 VanDerWaalsContact C-CE1 3.41Å; G30-F371 PolarHBondContact N-O 3.22Å; G30-F371 PolarHBondContact O-N 3.06Å; I32-F371 HydrophobicContact CD1-CD1 4.29Å; I32-F371 HydrophobicContact CD1-CE1 4.32Å; I32-F371 HydrophobicContact CG1-CD1 3.79Å; I32-F371 HydrophobicContact CG1-CE1 3.68Å; L47-F371 HydrophobicContact CD2-CB 3.48Å; L47-F371 VanDerWaalsContact CD2-CB 3.48Å; L47-F371 HydrophobicContact CD2-CD1 3.66Å; L47-F371 HydrophobicContact CD2-CD2 3.75Å; L47-F371 HydrophobicContact CD2-CE1 4.28Å; L47-F371 HydrophobicContact CD2-CE2 4.36Å; L47-F371 HydrophobicContact CD2-CG 3.34Å; L263-F371 HydrophobicContact CD2-CB 3.68Å; F371-F373 AromaticContact CD2-CD2 3.9Å; F371-F373 HydrophobicContact CD2-CD2 3.9Å; F371-F373 AromaticContact CD2-CE2 3.96Å; F371-F373 HydrophobicContact CD2-CE2 3.96Å; F371-F373 HydrophobicContact CE2-CD2 4.41Å; F371-V402 HydrophobicContact CE2-CG1 4.25Å; F371-V402 HydrophobicContact CZ-CG1 4.12Å
372	E	97.3	Very high	95.8	Very high	132 Å²	132	49.5 Å²	49.5	62%	0.617	26%	0.258	S	S	*	.			trans	-151.3	135.5	-177.9	-175.8	177.1	-141.9	0	0	107	D27	D27-E372 HydrophobicContact CB-CG 4.3Å
373	F	96.9	Very high	95.8	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.022	26%	0.259	C	S	.	.			trans	-142	113	177.2	-67.7	-71.1	0	0	0	110.7	V28 L47 L49 S261 L263 F371 L375	V28-F373 HydrophobicContact CB-CB 4.4Å; V28-F373 PolarHBondContact N-O 2.9Å; V28-F373 PolarHBondContact O-N 2.83Å; L47-F373 HydrophobicContact CB-CZ 4.38Å; L47-F373 HydrophobicContact CD2-CE2 3.59Å; L47-F373 HydrophobicContact CD2-CZ 3.93Å; L47-F373 HydrophobicContact CG-CE2 3.79Å; L47-F373 HydrophobicContact CG-CZ 3.85Å; L49-F373 HydrophobicContact CB-CD1 4.37Å; L49-F373 HydrophobicContact CB-CD2 3.73Å; L49-F373 HydrophobicContact CB-CE1 4.45Å; L49-F373 HydrophobicContact CB-CE2 3.83Å; L49-F373 HydrophobicContact CB-CG 4.01Å; L49-F373 HydrophobicContact CB-CZ 4.19Å; L49-F373 HydrophobicContact CD2-CB 3.49Å; L49-F373 VanDerWaalsContact CD2-CB 3.49Å; L49-F373 HydrophobicContact CD2-CD2 3.98Å; L49-F373 HydrophobicContact CD2-CG 3.88Å; S261-F373 WeakPolarHBondContact OG-CD1 3.33Å; L263-F373 HydrophobicContact CB-CE1 3.82Å; L263-F373 HydrophobicContact CB-CZ 3.78Å; F371-F373 AromaticContact CD2-CD2 3.9Å; F371-F373 HydrophobicContact CD2-CD2 3.9Å; F371-F373 AromaticContact CD2-CE2 3.96Å; F371-F373 HydrophobicContact CD2-CE2 3.96Å; F371-F373 HydrophobicContact CE2-CD2 4.41Å; F373-L375 PolarHBondContact O-N 2.83Å
374	P	97.1	Very high	95.6	Very high	63 Å²	63	49.1 Å²	49.1	41%	0.409	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-64	136.5	169.9	24.2	-33.6	0	0	0	110.9	D27 Y259	D27-P374 WeakPolarHBondContact OD1-CA 3.23Å; D27-P374 WeakPolarHBondContact OD1-CB 3.38Å; Y259-P374 PolarHBondContact OH-O 2.9Å
375	L	97	Very high	95.4	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-85.4	132.5	170.4	-66.3	-178.3	0	0	0	110.7	F22 E23 R25 D26 V28 L49 Y259 F373 L379 V423	F22-L375 HydrophobicContact CB-CD1 3.53Å; F22-L375 HydrophobicContact CG-CD1 4.29Å; E23-L375 WeakPolarHBondContact O-CD1 3.4Å; R25-L375 WeakPolarHBondContact CA-O 3.17Å; R25-L375 PolarHBondContact N-O 2.84Å; D26-L375 HydrophobicContact CB-CD1 4.5Å; D26-L375 WeakPolarHBondContact O-CB 3.38Å; D26-L375 WeakPolarHBondContact O-CG 3.48Å; D26-L375 PolarHBondContact O-N 2.81Å; V28-L375 HydrophobicContact CG2-CD1 3.91Å; V28-L375 HydrophobicContact CG2-CD2 3.77Å; V28-L375 HydrophobicContact CG2-CG 3.78Å; L49-L375 HydrophobicContact CD2-CD2 3.83Å; Y259-L375 HydrophobicContact CE1-CD2 3.99Å; F373-L375 PolarHBondContact O-N 2.83Å; L375-L379 HydrophobicContact CB-CD1 4.11Å; L375-L379 HydrophobicContact CD2-CD1 3.85Å; L375-L379 HydrophobicContact CG-CD1 4.41Å; L375-V423 HydrophobicContact CD1-CG2 3.99Å
376	P	95.9	Very high	94.9	Very high	21 Å²	21	40.1 Å²	40.1	14%	0.136	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-60.1	145.5	170.5	-24.5	33.3	0	0	0	113	P24 Y259 D378 L379	P24-P376 WeakPolarHBondContact CB-O 3.29Å; Y259-P376 HydrophobicContact CD2-CG 3.92Å; Y259-P376 HydrophobicContact CE1-CG 4.45Å; Y259-P376 HydrophobicContact CE2-CG 3.67Å; Y259-P376 HydrophobicContact CG-CG 4.47Å; Y259-P376 VanDerWaalsContact CZ-CD 3.48Å; P376-D378 WeakPolarHBondContact CB-OD1 3.4Å; P376-D378 PolarHBondContact O-N 2.97Å; P376-L379 HydrophobicContact CB-CD2 4.34Å; P376-L379 HydrophobicContact CB-CG 4.23Å; P376-L379 HydrophobicContact CG-CD2 4.32Å; P376-L379 HydrophobicContact CG-CG 4.43Å; P376-L379 WeakPolarHBondContact O-CG 3.45Å; P376-L379 PolarHBondContact O-N 2.9Å
377	A	93.5	Very high	94.4	Very high	38 Å²	38	37.9 Å²	37.9	31%	0.314	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.4	179.4	0	0	0	0	0	114.6	R25	R25-A377 HydrophobicContact CG-CB 3.63Å
378	D	93.2	Very high	93.9	Very high	61 Å²	61	41.4 Å²	41.4	33%	0.326	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	20.4	-174	59.2	-31.2	0	0	0	113	P376 G635 R636	P376-D378 WeakPolarHBondContact CB-OD1 3.4Å; P376-D378 PolarHBondContact O-N 2.97Å; D378-G635 CarbonylContact O-C 3.46Å; D378-G635 WeakPolarHBondContact O-CA 3.42Å; D378-R636 PolarHBondContact O-N 3.07Å; D378-R636 IonicContact OD1-CZ 2.71Å; D378-R636 IonicContact OD1-NE 2.71Å; D378-R636 PolarHBondContact OD1-NE 2.96Å; D378-R636 VanDerWaalsContact OD1-NE 3.09Å; D378-R636 IonicContact OD1-NH2 3.67Å; D378-R636 PolarHBondContact OD1-NH2 3.1Å; D378-R636 WeakPolarHBondContact OD2-CG 3.22Å; D378-R636 IonicContact OD2-CZ 2.72Å; D378-R636 IonicContact OD2-NE 2.76Å; D378-R636 PolarHBondContact OD2-NE 2.86Å; D378-R636 IonicContact OD2-NH2 3.89Å; D378-R636 PolarHBondContact OD2-NH2 3.26Å; D378-R636 VanDerWaalsContact OD2-NH2 3.15Å
379	L	94.4	Very high	93.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-74.4	131	168.6	-66.4	-168.3	0	0	0	111.3	P24 I258 Y259 L375 P376 Y400 V423 R425	P24-L379 HydrophobicContact CG-CB 4.45Å; I258-L379 HydrophobicContact CG2-CD2 4.32Å; Y259-L379 HydrophobicContact CD1-CD1 4.14Å; Y259-L379 HydrophobicContact CD1-CD2 4.33Å; Y259-L379 HydrophobicContact CG-CD2 4.11Å; L375-L379 HydrophobicContact CB-CD1 4.11Å; L375-L379 HydrophobicContact CD2-CD1 3.85Å; L375-L379 HydrophobicContact CG-CD1 4.41Å; P376-L379 HydrophobicContact CB-CD2 4.34Å; P376-L379 HydrophobicContact CB-CG 4.23Å; P376-L379 HydrophobicContact CG-CD2 4.32Å; P376-L379 HydrophobicContact CG-CG 4.43Å; P376-L379 WeakPolarHBondContact O-CG 3.45Å; P376-L379 PolarHBondContact O-N 2.9Å; L379-Y400 HydrophobicContact CD1-CE1 3.84Å; L379-Y400 HydrophobicContact CD2-CE1 4.19Å; L379-Y400 HydrophobicContact CG-CE1 4.43Å; L379-V423 HydrophobicContact CB-CG1 4.14Å; L379-V423 HydrophobicContact CD1-CG1 4.35Å; L379-V423 HydrophobicContact CD1-CG2 4.22Å; L379-R425 WeakPolarHBondContact O-CD 3.33Å
380	P	93.9	Very high	92.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-72.3	156.9	168.9	32.9	-38.7	0	0	0	111.7	I258 I398 Y400 Q637	I258-P380 HydrophobicContact CD1-CG 4.1Å; I258-P380 HydrophobicContact CG2-CG 4.3Å; P380-I398 HydrophobicContact CB-CD1 4.07Å; P380-I398 HydrophobicContact CG-CD1 4.05Å; P380-I398 HydrophobicContact CG-CG2 4.19Å; P380-Y400 VanDerWaalsContact CD-OH 3.24Å; P380-Y400 WeakPolarHBondContact CD-OH 3.44Å; P380-Y400 WeakPolarHBondContact CG-OH 3.39Å; P380-Y400 WeakPolarHBondContact O-CE2 3.32Å; P380-Y400 PolarHBondContact O-OH 3.15Å; P380-Q637 HydrophobicContact CB-CG 4.23Å; P380-Q637 HydrophobicContact CG-CG 3.7Å
381	S	93.3	Very high	91.7	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.063	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-56.1	147.4	171.1	-61.7	0	0	0	0	112.6	I398 R425	S381-I398 WeakPolarHBondContact O-CG2 3.48Å; S381-R425 WeakPolarHBondContact OG-CB 3.22Å; S381-R425 PolarHBondContact OG-N 2.94Å; S381-R425 PolarHBondContact OG-O 2.7Å
382	T	94.4	Very high	90.9	Very high	21 Å²	21	35 Å²	35	13%	0.129	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-59.7	139.5	166.4	-50.3	0	0	0	0	108.9	I398 I422 V423	T382-I398 WeakPolarHBondContact CA-O 3.47Å; T382-I398 VanDerWaalsContact CG2-O 3.28Å; T382-I398 WeakPolarHBondContact CG2-O 3.24Å; T382-I422 WeakPolarHBondContact OG1-CA 3.48Å; T382-V423 WeakPolarHBondContact CB-O 3.36Å; T382-V423 PolarHBondContact N-O 2.84Å; T382-V423 PolarHBondContact OG1-N 3.08Å; T382-V423 PolarHBondContact OG1-O 2.82Å
383	F	93.7	Very high	90.3	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	140.5	-172.7	177.7	-116.9	0	0	0	109.6	L385 A396 S397 I398 P629 L633 I640 L642	F383-L385 HydrophobicContact CE1-CB 3.83Å; F383-L385 HydrophobicContact CE1-CD2 4.29Å; F383-L385 HydrophobicContact CE2-CB 4.47Å; F383-L385 HydrophobicContact CZ-CB 3.68Å; F383-L385 HydrophobicContact CZ-CD2 3.91Å; F383-L385 HydrophobicContact CZ-CG 4.33Å; F383-A396 HydrophobicContact CE1-CB 4.16Å; F383-S397 CarbonylContact O-C 3.55Å; F383-S397 WeakPolarHBondContact O-CA 3.37Å; F383-S397 VanDerWaalsContact O-CB 3.29Å; F383-S397 WeakPolarHBondContact O-CB 3.29Å; F383-I398 HydrophobicContact CB-CB 4.12Å; F383-I398 HydrophobicContact CB-CD1 4.46Å; F383-I398 HydrophobicContact CB-CG1 4.3Å; F383-I398 PolarHBondContact N-O 3.24Å; F383-I398 PolarHBondContact O-N 2.64Å; F383-P629 HydrophobicContact CD2-CB 4.45Å; F383-P629 HydrophobicContact CD2-CG 3.95Å; F383-P629 HydrophobicContact CE2-CG 3.83Å; F383-L633 HydrophobicContact CB-CD1 4.02Å; F383-L633 HydrophobicContact CD1-CD1 3.78Å; F383-L633 HydrophobicContact CD2-CD1 4.27Å; F383-L633 HydrophobicContact CE1-CD1 4.27Å; F383-L633 HydrophobicContact CG-CD1 3.76Å; F383-I640 HydrophobicContact CD1-CD1 4.43Å; F383-I640 HydrophobicContact CD1-CG2 3.94Å; F383-I640 HydrophobicContact CE1-CG2 3.68Å; F383-L642 HydrophobicContact CD2-CD1 4.28Å; F383-L642 HydrophobicContact CE2-CD1 3.79Å; F383-L642 HydrophobicContact CZ-CD1 3.97Å; F383-L642 HydrophobicContact CZ-CD2 3.98Å; F383-L642 HydrophobicContact CZ-CG 4.47Å
384	E	93.1	Very high	90	Very high	63 Å²	63	30.1 Å²	30.1	29%	0.294	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	135.2	166.6	-176.6	164	-148.9	0	0	109.9
385	L	90.3	Very high	89.7	Confident	8 Å²	8	28 Å²	28	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	94.8	178.4	-174.6	58.7	0	0	0	107.4	F383 C389 L390 S395 A396 V500 L514	F383-L385 HydrophobicContact CE1-CB 3.83Å; F383-L385 HydrophobicContact CE1-CD2 4.29Å; F383-L385 HydrophobicContact CE2-CB 4.47Å; F383-L385 HydrophobicContact CZ-CB 3.68Å; F383-L385 HydrophobicContact CZ-CD2 3.91Å; F383-L385 HydrophobicContact CZ-CG 4.33Å; L385-C389 HydrophobicContact CD1-CB 3.68Å; L385-C389 HydrophobicContact CG-CB 4.49Å; L385-L390 HydrophobicContact CD2-CD1 3.64Å; L385-L390 HydrophobicContact CD2-CD2 4Å; L385-L390 HydrophobicContact CD2-CG 4.03Å; L385-L390 HydrophobicContact CG-CD1 3.86Å; L385-L390 HydrophobicContact CG-CD2 4.43Å; L385-L390 HydrophobicContact CG-CG 4.04Å; L385-S395 VanDerWaalsContact O-CA 3.31Å; L385-S395 WeakPolarHBondContact O-CA 3.45Å; L385-S395 WeakPolarHBondContact O-CB 3.21Å; L385-A396 HydrophobicContact CB-CB 4.33Å; L385-A396 PolarHBondContact N-O 3.14Å; L385-A396 PolarHBondContact O-N 2.77Å; L385-A396 VanDerWaalsContact O-N 3.11Å; L385-V500 HydrophobicContact CD2-CB 4.29Å; L385-V500 HydrophobicContact CD2-CG1 3.67Å; L385-V500 HydrophobicContact CD2-CG2 3.83Å; L385-L514 HydrophobicContact CD1-CD1 4.09Å
386	P	86.6	Confident	89.6	Confident	25 Å²	25	27.9 Å²	27.9	16%	0.162	18%	0.184	C	C	.	.			trans	-74.9	162.6	-168.9	29.9	-35.9	0	0	0	112.8	N388 C389 Y1291	P386-N388 WeakPolarHBondContact CB-OD1 3.36Å; P386-N388 VanDerWaalsContact CG-OD1 3.32Å; P386-N388 WeakPolarHBondContact CG-OD1 3.41Å; P386-N388 PolarHBondContact O-N 3.21Å; P386-C389 WeakPolarHBondContact O-CB 3.32Å; P386-C389 PolarHBondContact O-N 3Å; P386-Y1291 HydrophobicContact CG-CD2 4Å; P386-Y1291 HydrophobicContact CG-CE2 4.24Å
387	T	86.5	Confident	89.5	Confident	70 Å²	70	27.6 Å²	27.6	43%	0.429	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-7.5	-169.9	51.8	0	0	0	0	116.1	A394 S395	T387-A394 WeakPolarHBondContact CA-O 3.18Å; T387-S395 WeakPolarHBondContact CG2-OG 3.3Å
388	N	85.4	Confident	89.6	Confident	104 Å²	104	25.8 Å²	25.8	56%	0.556	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-15.2	175.4	63.1	-54	0	0	0	113.2	P386	P386-N388 WeakPolarHBondContact CB-OD1 3.36Å; P386-N388 VanDerWaalsContact CG-OD1 3.32Å; P386-N388 WeakPolarHBondContact CG-OD1 3.41Å; P386-N388 PolarHBondContact O-N 3.21Å
389	C	80.5	Confident	89.7	Confident	20 Å²	20	25 Å²	25	14%	0.135	17%	0.165	C	C	.	.	S	Bend	trans	-81.6	-17.4	177	-66.8	0	0	0	0	112.9	L385 P386 L514	L385-C389 HydrophobicContact CD1-CB 3.68Å; L385-C389 HydrophobicContact CG-CB 4.49Å; P386-C389 WeakPolarHBondContact O-CB 3.32Å; P386-C389 PolarHBondContact O-N 3Å; C389-L514 WeakPolarHBondContact O-CD2 3.11Å
390	L	82.2	Confident	89.9	Confident	7 Å²	7	25 Å²	25	4%	0.037	17%	0.165	C	C	.	.	S	Bend	trans	-126	145.4	-170	-65.3	178	0	0	0	113.1	L385 A394 L502 E512 L514	L385-L390 HydrophobicContact CD2-CD1 3.64Å; L385-L390 HydrophobicContact CD2-CD2 4Å; L385-L390 HydrophobicContact CD2-CG 4.03Å; L385-L390 HydrophobicContact CG-CD1 3.86Å; L385-L390 HydrophobicContact CG-CD2 4.43Å; L385-L390 HydrophobicContact CG-CG 4.04Å; L390-A394 HydrophobicContact CB-CB 3.85Å; L390-A394 WeakPolarHBondContact CB-O 3.48Å; L390-A394 HydrophobicContact CD1-CB 3.78Å; L390-A394 HydrophobicContact CG-CB 4.48Å; L390-L502 HydrophobicContact CD1-CD1 4.25Å; L390-E512 WeakPolarHBondContact CA-OE2 3.46Å; L390-E512 VanDerWaalsContact CB-OE2 3.23Å; L390-E512 WeakPolarHBondContact CB-OE2 3.5Å; L390-E512 HydrophobicContact CD2-CB 3.92Å; L390-E512 HydrophobicContact CD2-CG 3.75Å; L390-E512 WeakPolarHBondContact CD2-OE2 3.32Å; L390-L514 HydrophobicContact CD2-CD1 4.41Å; L390-L514 HydrophobicContact CD2-CD2 3.89Å; L390-L514 HydrophobicContact CD2-CG 4.33Å
391	A	82.5	Confident	90.1	Very high	18 Å²	18	25 Å²	25	15%	0.149	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-61.3	157.8	171	0	0	0	0	0	112	S70 G393 A394 E512	S70-A391 VanDerWaalsContact CB-CB 3.46Å; A391-G393 PolarHBondContact O-N 3.31Å; A391-A394 WeakPolarHBondContact O-CB 3.33Å; A391-A394 PolarHBondContact O-N 2.76Å; A391-E512 WeakPolarHBondContact CB-OE1 3.45Å; A391-E512 VanDerWaalsContact N-CD 3.29Å; A391-E512 PolarHBondContact N-OE1 3.01Å; A391-E512 PolarHBondContact N-OE2 2.92Å
392	G	81.7	Confident	90.3	Very high	51 Å²	51	24.6 Å²	24.6	53%	0.526	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	61.5	13.6	-178.9	0	0	0	0	0	114.8	N58 A394	N58-G392 VanDerWaalsContact CB-O 3.23Å; N58-G392 WeakPolarHBondContact CB-O 3.14Å; N58-G392 PolarHBondContact N-O 2.74Å; N58-G392 VanDerWaalsContact N-O 3.15Å; G392-A394 PolarHBondContact O-N 3.15Å
393	G	85.4	Confident	90.5	Very high	35 Å²	35	24.1 Å²	24.1	36%	0.361	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	62.9	27.5	-172.8	0	0	0	0	0	113	A391	A391-G393 PolarHBondContact O-N 3.31Å
394	A	89.2	Confident	90.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	16%	0.156	C	C	.	.			trans	-64.8	152.9	176.6	0	0	0	0	0	111.4	R56 W57 T387 L390 A391 G392 L502	R56-A394 CarbonylContact O-C 3.59Å; R56-A394 WeakPolarHBondContact O-CA 3.38Å; W57-A394 HydrophobicContact CB-CB 3.66Å; T387-A394 WeakPolarHBondContact CA-O 3.18Å; L390-A394 HydrophobicContact CB-CB 3.85Å; L390-A394 WeakPolarHBondContact CB-O 3.48Å; L390-A394 HydrophobicContact CD1-CB 3.78Å; L390-A394 HydrophobicContact CG-CB 4.48Å; A391-A394 WeakPolarHBondContact O-CB 3.33Å; A391-A394 PolarHBondContact O-N 2.76Å; G392-A394 PolarHBondContact O-N 3.15Å; A394-L502 HydrophobicContact CB-CD1 4.42Å
395	S	92.5	Very high	90.9	Very high	19 Å²	19	21 Å²	21	13%	0.133	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	152.4	176.6	44.6	0	0	0	0	110.8	T55 R56 L385 T387	T55-S395 WeakPolarHBondContact CA-O 3.4Å; R56-S395 PolarHBondContact N-O 2.88Å; R56-S395 PolarHBondContact O-N 3.01Å; L385-S395 VanDerWaalsContact O-CA 3.31Å; L385-S395 WeakPolarHBondContact O-CA 3.45Å; L385-S395 WeakPolarHBondContact O-CB 3.21Å; T387-S395 WeakPolarHBondContact CG2-OG 3.3Å
396	A	93.2	Very high	91.1	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.025	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.9	-178.2	0	0	0	0	0	110.2	K54 T55 F383 L385 L502 I640	K54-A396 CarbonylContact O-C 3.55Å; K54-A396 WeakPolarHBondContact O-CA 3.4Å; T55-A396 HydrophobicContact CG2-CB 4.48Å; F383-A396 HydrophobicContact CE1-CB 4.16Å; L385-A396 HydrophobicContact CB-CB 4.33Å; L385-A396 PolarHBondContact N-O 3.14Å; L385-A396 PolarHBondContact O-N 2.77Å; L385-A396 VanDerWaalsContact O-N 3.11Å; A396-L502 HydrophobicContact CB-CD1 4.21Å; A396-L502 HydrophobicContact CB-CD2 3.48Å; A396-L502 VanDerWaalsContact CB-CD2 3.48Å; A396-I640 HydrophobicContact CB-CD1 3.86Å; A396-I640 HydrophobicContact CB-CG1 4.06Å; A396-I640 HydrophobicContact CB-CG2 4.35Å
397	S	94.4	Very high	91.5	Very high	16 Å²	16	20.8 Å²	20.8	11%	0.112	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152	170.5	60.1	0	0	0	0	113.4	A53 K54 F383 I640	A53-S397 CarbonylContact C-O 3.51Å; A53-S397 WeakPolarHBondContact CA-O 3.33Å; K54-S397 PolarHBondContact N-O 3.23Å; K54-S397 PolarHBondContact O-N 2.95Å; F383-S397 CarbonylContact O-C 3.55Å; F383-S397 WeakPolarHBondContact O-CA 3.37Å; F383-S397 VanDerWaalsContact O-CB 3.29Å; F383-S397 WeakPolarHBondContact O-CB 3.29Å; S397-I640 WeakPolarHBondContact O-CD1 3.41Å
398	I	95.5	Very high	91.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	111.1	168.4	-62.1	-179.7	0	0	0	105.7	L52 A53 I258 P380 S381 T382 F383 Y400 L633 Q637 I640	L52-I398 CarbonylContact O-C 3.56Å; L52-I398 VanDerWaalsContact O-CA 3.29Å; L52-I398 WeakPolarHBondContact O-CA 3.35Å; A53-I398 HydrophobicContact CB-CG1 4.35Å; I258-I398 HydrophobicContact CD1-CG2 3.69Å; P380-I398 HydrophobicContact CB-CD1 4.07Å; P380-I398 HydrophobicContact CG-CD1 4.05Å; P380-I398 HydrophobicContact CG-CG2 4.19Å; S381-I398 WeakPolarHBondContact O-CG2 3.48Å; T382-I398 WeakPolarHBondContact CA-O 3.47Å; T382-I398 VanDerWaalsContact CG2-O 3.28Å; T382-I398 WeakPolarHBondContact CG2-O 3.24Å; F383-I398 HydrophobicContact CB-CB 4.12Å; F383-I398 HydrophobicContact CB-CD1 4.46Å; F383-I398 HydrophobicContact CB-CG1 4.3Å; F383-I398 PolarHBondContact N-O 3.24Å; F383-I398 PolarHBondContact O-N 2.64Å; I398-Y400 HydrophobicContact CG2-CD2 4.48Å; I398-Y400 HydrophobicContact CG2-CE2 3.67Å; I398-L633 HydrophobicContact CD1-CB 4.29Å; I398-L633 HydrophobicContact CD1-CD1 3.97Å; I398-Q637 HydrophobicContact CD1-CG 3.95Å; I398-I640 HydrophobicContact CD1-CD1 4.4Å; I398-I640 HydrophobicContact CG1-CD1 3.79Å
399	T	96.2	Very high	92.2	Very high	43 Å²	43	17.4 Å²	17.4	26%	0.264	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.1	-177.1	64.9	0	0	0	0	111.9	G51 L52	G51-T399 CarbonylContact C-O 3.6Å; G51-T399 WeakPolarHBondContact CA-O 3.34Å; L52-T399 PolarHBondContact N-O 2.87Å; L52-T399 PolarHBondContact O-N 2.8Å
400	Y	97.7	Very high	92.7	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.1	179.1	-63.3	-88	0	0	0	110.6	Y50 L379 P380 I398 E420 I421 V423	Y50-Y400 VanDerWaalsContact O-CA 3.3Å; Y50-Y400 WeakPolarHBondContact O-CA 3.46Å; L379-Y400 HydrophobicContact CD1-CE1 3.84Å; L379-Y400 HydrophobicContact CD2-CE1 4.19Å; L379-Y400 HydrophobicContact CG-CE1 4.43Å; P380-Y400 VanDerWaalsContact CD-OH 3.24Å; P380-Y400 WeakPolarHBondContact CD-OH 3.44Å; P380-Y400 WeakPolarHBondContact CG-OH 3.39Å; P380-Y400 WeakPolarHBondContact O-CE2 3.32Å; P380-Y400 PolarHBondContact O-OH 3.15Å; I398-Y400 HydrophobicContact CG2-CD2 4.48Å; I398-Y400 HydrophobicContact CG2-CE2 3.67Å; Y400-E420 WeakPolarHBondContact O-CA 3.38Å; Y400-I421 PolarHBondContact O-N 2.94Å; Y400-V423 HydrophobicContact CD1-CG2 3.89Å; Y400-V423 HydrophobicContact CD2-CB 3.73Å; Y400-V423 HydrophobicContact CD2-CG2 3.55Å; Y400-V423 HydrophobicContact CE1-CG2 4.12Å; Y400-V423 HydrophobicContact CE2-CB 3.6Å; Y400-V423 HydrophobicContact CE2-CG1 4.45Å; Y400-V423 HydrophobicContact CE2-CG2 3.77Å; Y400-V423 HydrophobicContact CG-CB 4.31Å; Y400-V423 HydrophobicContact CG-CG2 3.6Å
401	A	97.7	Very high	93	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	146.8	-179.4	0	0	0	0	0	114.5	L49 Y50 Q418 R419 E420	L49-A401 WeakPolarHBondContact CA-O 3.28Å; Y50-A401 HydrophobicContact CE1-CB 4.29Å; Y50-A401 HydrophobicContact CE2-CB 4.07Å; Y50-A401 PolarHBondContact N-O 2.81Å; Y50-A401 PolarHBondContact O-N 3.44Å; A401-Q418 HydrophobicContact CB-CG 3.82Å; A401-R419 WeakPolarHBondContact CA-O 3.39Å; A401-E420 HydrophobicContact CB-CG 4.12Å
402	V	98.2	Very high	93.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121	167	179.6	0	0	0	0	107.9	I13 I15 V28 L47 W48 L49 F371 Q418 R419 I421	I13-V402 HydrophobicContact CD1-CG1 4.45Å; I13-V402 HydrophobicContact CG2-CG1 3.97Å; I15-V402 HydrophobicContact CD1-CG2 4.29Å; V28-V402 HydrophobicContact CG1-CG2 4.1Å; L47-V402 HydrophobicContact CD1-CG1 3.5Å; L47-V402 VanDerWaalsContact CD1-CG1 3.5Å; L47-V402 HydrophobicContact CD2-CG1 4.43Å; L47-V402 HydrophobicContact CG-CG1 4.24Å; W48-V402 CarbonylContact O-C 3.54Å; W48-V402 WeakPolarHBondContact O-CA 3.3Å; L49-V402 HydrophobicContact CD1-CG2 3.97Å; F371-V402 HydrophobicContact CE2-CG1 4.25Å; F371-V402 HydrophobicContact CZ-CG1 4.12Å; V402-Q418 CarbonylContact O-C 3.57Å; V402-Q418 WeakPolarHBondContact O-CA 3.39Å; V402-R419 PolarHBondContact N-O 3.48Å; V402-R419 PolarHBondContact O-N 2.83Å; V402-I421 HydrophobicContact CG2-CG2 4.38Å
403	R	97.7	Very high	93.8	Very high	11 Å²	11	37.2 Å²	37.2	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	116.7	-176.4	173.2	175.8	164.5	154.8	-4.4	111	W48 Y50 L239 E405 I416 Q417	W48-R403 PolarHBondContact N-O 3.09Å; W48-R403 PolarHBondContact O-N 2.99Å; Y50-R403 HydrophobicContact CE1-CB 3.79Å; L239-R403 PolarHBondContact O-NH1 3.35Å; L239-R403 PolarHBondContact O-NH2 3.27Å; R403-E405 HydrophobicContact CG-CG 4.32Å; R403-E405 IonicContact CZ-OE1 2.7Å; R403-E405 IonicContact NE-OE1 3.84Å; R403-E405 PolarHBondContact NE-OE1 3.28Å; R403-E405 VanDerWaalsContact NE-OE1 3.11Å; R403-E405 IonicContact NH2-OE1 3.45Å; R403-E405 PolarHBondContact NH2-OE1 2.82Å; R403-I416 HydrophobicContact CG-CG2 3.95Å; R403-Q417 CarbonylContact C-O 3.56Å; R403-Q417 WeakPolarHBondContact CA-O 3.38Å
404	I	98.1	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.7	170.8	-179.8	173.3	0	0	0	110.7	I11 I13 I32 I34 I46 L47 L406 I416 Q417	I11-I404 HydrophobicContact CD1-CD1 4.46Å; I11-I404 HydrophobicContact CD1-CG2 4.24Å; I11-I404 HydrophobicContact CG2-CD1 4.27Å; I11-I404 HydrophobicContact CG2-CG2 3.77Å; I13-I404 HydrophobicContact CD1-CG2 3.93Å; I13-I404 HydrophobicContact CG1-CG2 4.14Å; I32-I404 HydrophobicContact CD1-CB 3.98Å; I32-I404 HydrophobicContact CD1-CD1 3.84Å; I32-I404 HydrophobicContact CD1-CG1 4.35Å; I32-I404 HydrophobicContact CD1-CG2 4.42Å; I32-I404 HydrophobicContact CG2-CD1 3.84Å; I34-I404 HydrophobicContact CD1-CD1 4.14Å; I46-I404 CarbonylContact O-C 3.47Å; I46-I404 WeakPolarHBondContact O-CA 3.43Å; L47-I404 HydrophobicContact CD1-CB 4.03Å; I404-L406 HydrophobicContact CD1-CD2 3.99Å; I404-L406 HydrophobicContact CD1-CG 4.23Å; I404-L406 HydrophobicContact CG1-CD2 4.39Å; I404-L406 HydrophobicContact CG1-CG 4.45Å; I404-I416 WeakPolarHBondContact O-CA 3.29Å; I404-Q417 HydrophobicContact CG2-CB 3.76Å; I404-Q417 PolarHBondContact N-O 2.82Å; I404-Q417 PolarHBondContact O-N 2.67Å; I404-Q417 VanDerWaalsContact O-N 3.09Å
405	E	97.1	Very high	94.4	Very high	10 Å²	10	44 Å²	44	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	112.7	172.5	-50.3	-165.9	121.8	0	0	109.2	I46 W48 R403 R414 I416	I46-E405 PolarHBondContact N-O 3.04Å; I46-E405 PolarHBondContact O-N 3.08Å; W48-E405 PolarHBondContact NE1-OE2 3.22Å; R403-E405 HydrophobicContact CG-CG 4.32Å; R403-E405 IonicContact CZ-OE1 2.7Å; R403-E405 IonicContact NE-OE1 3.84Å; R403-E405 PolarHBondContact NE-OE1 3.28Å; R403-E405 VanDerWaalsContact NE-OE1 3.11Å; R403-E405 IonicContact NH2-OE1 3.45Å; R403-E405 PolarHBondContact NH2-OE1 2.82Å; E405-R414 VanDerWaalsContact CD-NH2 3.34Å; E405-R414 IonicContact OE1-CZ 3.68Å; E405-R414 IonicContact OE1-NH2 3.86Å; E405-R414 PolarHBondContact OE1-NH2 2.72Å; E405-R414 IonicContact OE2-NH2 2.93Å; E405-I416 HydrophobicContact CG-CG1 4.37Å
406	L	96.1	Very high	94.6	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.5	167.7	-63.5	-175.9	0	0	0	108.9	L9 I11 I34 I42 C45 I404 R414 H415	L9-L406 HydrophobicContact CD1-CD1 4.05Å; L9-L406 HydrophobicContact CD2-CD1 3.87Å; L9-L406 HydrophobicContact CG-CD1 4.19Å; I11-L406 HydrophobicContact CD1-CD1 3.43Å; I11-L406 VanDerWaalsContact CD1-CD1 3.43Å; I11-L406 HydrophobicContact CD1-CG 3.75Å; I11-L406 HydrophobicContact CG1-CD1 4.02Å; I34-L406 HydrophobicContact CD1-CD1 3.98Å; I34-L406 HydrophobicContact CD1-CD2 3.99Å; I34-L406 HydrophobicContact CG1-CD1 4.48Å; I34-L406 HydrophobicContact CG2-CD1 4.18Å; I42-L406 HydrophobicContact CD1-CD1 4.17Å; I42-L406 HydrophobicContact CD1-CD2 4.24Å; C45-L406 HydrophobicContact CB-CD2 3.5Å; C45-L406 WeakPolarHBondContact SG-CD2 3.49Å; I404-L406 HydrophobicContact CD1-CD2 3.99Å; I404-L406 HydrophobicContact CD1-CG 4.23Å; I404-L406 HydrophobicContact CG1-CD2 4.39Å; I404-L406 HydrophobicContact CG1-CG 4.45Å; L406-R414 WeakPolarHBondContact O-CA 3.31Å; L406-H415 HydrophobicContact CB-CB 4.33Å; L406-H415 PolarHBondContact N-O 2.73Å; L406-H415 PolarHBondContact O-N 3.33Å
407	C	95	Very high	94.8	Very high	26 Å²	26	49.9 Å²	49.9	18%	0.176	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.3	175.9	-56.4	0	0	0	0	110.9	D43 S44	D43-C407 PolarHBondContact N-O 3.13Å; S44-C407 PolarHBondContact N-O 2.95Å; S44-C407 PolarHBondContact O-N 3.04Å
408	N	93.7	Very high	94.9	Very high	7 Å²	7	52 Å²	52	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	107	164.7	172.9	-32.6	0	0	0	107.1	E41 R410 L411 K412 L413	E41-N408 PolarHBondContact O-ND2 3.1Å; N408-R410 VanDerWaalsContact C-N 3.3Å; N408-R410 PolarHBondContact O-N 3.48Å; N408-R410 WeakPolarHBondContact OD1-CA 3.44Å; N408-R410 WeakPolarHBondContact OD1-CB 3.43Å; N408-R410 PolarHBondContact OD1-N 3.27Å; N408-L411 PolarHBondContact OD1-N 3.31Å; N408-K412 CarbonylContact O-C 3.51Å; N408-K412 WeakPolarHBondContact O-CA 3.37Å; N408-K412 PolarHBondContact O-N 2.79Å; N408-L413 HydrophobicContact CB-CB 4.47Å; N408-L413 PolarHBondContact N-O 3.15Å; N408-L413 PolarHBondContact O-N 3.47Å
409	N	92.4	Very high	95	Very high	95 Å²	95	55.5 Å²	55.5	51%	0.508	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-29.1	-176.2	-65	-42.6	0	0	0	111.9	D43 K412	D43-N409 WeakPolarHBondContact CB-ND2 3.43Å; D43-N409 PolarHBondContact OD1-ND2 3.4Å; D43-N409 WeakPolarHBondContact OD2-CB 3.14Å; D43-N409 PolarHBondContact OD2-N 3.26Å; N409-K412 PolarHBondContact O-N 3.06Å
410	R	89.7	Confident	95	Very high	172 Å²	172	58 Å²	58	65%	0.649	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-42.7	-179.3	178.5	-175.4	178.7	-177.5	-3.8	112	E41 N408	E41-R410 IonicContact OE1-NH1 3.72Å; E41-R410 PolarHBondContact OE1-NH1 2.98Å; E41-R410 WeakPolarHBondContact OE2-CD 3.44Å; E41-R410 IonicContact OE2-CZ 3.25Å; E41-R410 IonicContact OE2-NE 2.78Å; E41-R410 IonicContact OE2-NH1 3.71Å; E41-R410 PolarHBondContact OE2-NH1 3Å; N408-R410 VanDerWaalsContact C-N 3.3Å; N408-R410 PolarHBondContact O-N 3.48Å; N408-R410 WeakPolarHBondContact OD1-CA 3.44Å; N408-R410 WeakPolarHBondContact OD1-CB 3.43Å; N408-R410 PolarHBondContact OD1-N 3.27Å
411	L	88.9	Confident	95	Very high	89 Å²	89	58.3 Å²	58.3	47%	0.466	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-3.9	176.2	-58.3	-179.5	0	0	0	112.6	M7 N408 L413	M7-L411 HydrophobicContact CE-CD1 3.51Å; M7-L411 HydrophobicContact SD-CD1 3.84Å; N408-L411 PolarHBondContact OD1-N 3.31Å; L411-L413 HydrophobicContact CB-CB 4.07Å; L411-L413 PolarHBondContact O-N 3Å; L411-L413 VanDerWaalsContact O-N 3.09Å
412	K	91.3	Very high	94.9	Very high	191 Å²	191	61 Å²	61	83%	0.83	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	18.4	-167.5	-54.5	176.8	-175.8	173.2	0	113.5	N408 N409	N408-K412 CarbonylContact O-C 3.51Å; N408-K412 WeakPolarHBondContact O-CA 3.37Å; N408-K412 PolarHBondContact O-N 2.79Å; N409-K412 PolarHBondContact O-N 3.06Å
413	L	89.8	Confident	94.8	Very high	60 Å²	60	61 Å²	61	31%	0.314	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.9	-176.9	-175.7	151.5	0	0	0	109.8	M7 L9 N408 L411 H415	M7-L413 HydrophobicContact SD-CD1 4.37Å; L9-L413 HydrophobicContact CD2-CD2 4.28Å; N408-L413 HydrophobicContact CB-CB 4.47Å; N408-L413 PolarHBondContact N-O 3.15Å; N408-L413 PolarHBondContact O-N 3.47Å; L411-L413 HydrophobicContact CB-CB 4.07Å; L411-L413 PolarHBondContact O-N 3Å; L411-L413 VanDerWaalsContact O-N 3.09Å; L413-H415 HydrophobicContact CD2-CB 4.43Å
414	R	94	Very high	94.5	Very high	123 Å²	123	64.5 Å²	64.5	46%	0.464	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	115.4	174.5	-175.2	-177.3	-174.9	-165.7	3.4	109.4	E405 L406 I416	E405-R414 VanDerWaalsContact CD-NH2 3.34Å; E405-R414 IonicContact OE1-CZ 3.68Å; E405-R414 IonicContact OE1-NH2 3.86Å; E405-R414 PolarHBondContact OE1-NH2 2.72Å; E405-R414 IonicContact OE2-NH2 2.93Å; L406-R414 WeakPolarHBondContact O-CA 3.31Å; R414-I416 HydrophobicContact CG-CD1 4.45Å; R414-I416 HydrophobicContact CG-CG1 4.21Å
415	H	94.3	Very high	94.2	Very high	54 Å²	54	68.2 Å²	68.2	25%	0.25	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.5	174.4	-165.6	124.8	0	0	0	108.6	L9 I11 L406 L413	L9-H415 HydrophobicContact CD2-CB 4.02Å; L9-H415 PolarHBondContact O-CE1 3.09Å; I11-H415 HydrophobicContact CD1-CB 4.32Å; I11-H415 WeakPolarHBondContact CD1-CD2 3.46Å; L406-H415 HydrophobicContact CB-CB 4.33Å; L406-H415 PolarHBondContact N-O 2.73Å; L406-H415 PolarHBondContact O-N 3.33Å; L413-H415 HydrophobicContact CD2-CB 4.43Å
416	I	95.8	Very high	93.9	Very high	70 Å²	70	69.3 Å²	69.3	36%	0.359	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.5	178.8	-58.3	163.6	0	0	0	107.5	R403 I404 E405 R414	R403-I416 HydrophobicContact CG-CG2 3.95Å; I404-I416 WeakPolarHBondContact O-CA 3.29Å; E405-I416 HydrophobicContact CG-CG1 4.37Å; R414-I416 HydrophobicContact CG-CD1 4.45Å; R414-I416 HydrophobicContact CG-CG1 4.21Å
417	Q	97	Very high	93.6	Very high	77 Å²	77	70.6 Å²	70.6	36%	0.36	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.2	169.6	-179.5	61.4	58.3	0	0	108.7	I11 I13 R403 I404	I11-Q417 HydrophobicContact CB-CB 4.14Å; I11-Q417 HydrophobicContact CB-CG 4.49Å; I11-Q417 HydrophobicContact CD1-CB 4.49Å; I11-Q417 HydrophobicContact CG2-CB 4.2Å; I11-Q417 HydrophobicContact CG2-CG 4.49Å; I13-Q417 HydrophobicContact CD1-CB 4.45Å; I13-Q417 HydrophobicContact CD1-CG 4.05Å; I13-Q417 HydrophobicContact CG1-CG 4.11Å; R403-Q417 CarbonylContact C-O 3.56Å; R403-Q417 WeakPolarHBondContact CA-O 3.38Å; I404-Q417 HydrophobicContact CG2-CB 3.76Å; I404-Q417 PolarHBondContact N-O 2.82Å; I404-Q417 PolarHBondContact O-N 2.67Å; I404-Q417 VanDerWaalsContact O-N 3.09Å
418	Q	97	Very high	93.4	Very high	61 Å²	61	73.2 Å²	73.2	29%	0.285	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148	179.9	-175.6	173.1	-47.2	0	0	109.8	Y50 A401 V402 E420	Y50-Q418 VanDerWaalsContact OH-CD 3.27Å; Y50-Q418 PolarHBondContact OH-NE2 2.82Å; Y50-Q418 PolarHBondContact OH-OE1 2.78Å; A401-Q418 HydrophobicContact CB-CG 3.82Å; V402-Q418 CarbonylContact O-C 3.57Å; V402-Q418 WeakPolarHBondContact O-CA 3.39Å; Q418-E420 PolarHBondContact NE2-OE1 3.27Å; Q418-E420 VanDerWaalsContact NE2-OE1 3.14Å
419	R	97.2	Very high	93.2	Very high	72 Å²	72	72.9 Å²	72.9	27%	0.272	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.8	165.2	177	169.2	175.1	166	0.2	107.6	I13 I15 E18 A401 V402	I13-R419 HydrophobicContact CB-CB 4.09Å; I13-R419 HydrophobicContact CD1-CB 4.21Å; I13-R419 HydrophobicContact CG2-CB 4.16Å; I13-R419 WeakPolarHBondContact O-CD 3.36Å; I13-R419 PolarHBondContact O-NH1 3.33Å; I15-R419 HydrophobicContact CD1-CG 3.92Å; E18-R419 PolarHBondContact O-NH2 2.84Å; A401-R419 WeakPolarHBondContact CA-O 3.39Å; V402-R419 PolarHBondContact N-O 3.48Å; V402-R419 PolarHBondContact O-N 2.83Å
420	E	97	Very high	93.1	Very high	97 Å²	97	70.7 Å²	70.7	45%	0.453	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	154.8	-179.7	-58.6	-172.5	151.9	0	0	110.2	Y400 A401 Q418	Y400-E420 WeakPolarHBondContact O-CA 3.38Å; A401-E420 HydrophobicContact CB-CG 4.12Å; Q418-E420 PolarHBondContact NE2-OE1 3.27Å; Q418-E420 VanDerWaalsContact NE2-OE1 3.14Å
421	I	97.2	Very high	93.1	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	153.9	176.6	67.8	173.9	0	0	0	109.3	I15 G20 F22 V28 L49 Y400 V402	I15-I421 HydrophobicContact CD1-CG2 3.46Å; I15-I421 VanDerWaalsContact CD1-CG2 3.46Å; G20-I421 WeakPolarHBondContact O-CA 3.25Å; G20-I421 WeakPolarHBondContact O-CB 3.32Å; F22-I421 HydrophobicContact CD2-CB 4.22Å; F22-I421 HydrophobicContact CD2-CD1 4.16Å; F22-I421 HydrophobicContact CE2-CB 4.29Å; F22-I421 HydrophobicContact CE2-CD1 4.48Å; F22-I421 HydrophobicContact CE2-CG2 4.13Å; V28-I421 HydrophobicContact CG1-CD1 4.22Å; V28-I421 HydrophobicContact CG2-CD1 3.85Å; L49-I421 HydrophobicContact CD1-CD1 3.72Å; Y400-I421 PolarHBondContact O-N 2.94Å; V402-I421 HydrophobicContact CG2-CG2 4.38Å
422	I	96.3	Very high	93.2	Very high	58 Å²	58	64.5 Å²	64.5	30%	0.297	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	107.6	175.5	-61.7	174.8	0	0	0	107.5	G20 V21 F22 T382	G20-I422 PolarHBondContact O-N 3.11Å; V21-I422 CarbonylContact C-O 3.57Å; V21-I422 VanDerWaalsContact CA-O 3.28Å; V21-I422 WeakPolarHBondContact CA-O 3.12Å; V21-I422 HydrophobicContact CG1-CG2 4.47Å; V21-I422 HydrophobicContact CG2-CB 4.26Å; V21-I422 HydrophobicContact CG2-CD1 4.48Å; F22-I422 PolarHBondContact N-O 3.5Å; T382-I422 WeakPolarHBondContact OG1-CA 3.48Å
423	V	95.1	Very high	93.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127.9	160.3	-177.3	0	0	0	0	108.3	F22 P24 L375 L379 T382 Y400	F22-V423 CarbonylContact O-C 3.59Å; F22-V423 VanDerWaalsContact O-CA 3.24Å; F22-V423 WeakPolarHBondContact O-CA 3.44Å; P24-V423 HydrophobicContact CG-CG1 4.16Å; L375-V423 HydrophobicContact CD1-CG2 3.99Å; L379-V423 HydrophobicContact CB-CG1 4.14Å; L379-V423 HydrophobicContact CD1-CG1 4.35Å; L379-V423 HydrophobicContact CD1-CG2 4.22Å; T382-V423 WeakPolarHBondContact CB-O 3.36Å; T382-V423 PolarHBondContact N-O 2.84Å; T382-V423 PolarHBondContact OG1-N 3.08Å; T382-V423 PolarHBondContact OG1-O 2.82Å; Y400-V423 HydrophobicContact CD1-CG2 3.89Å; Y400-V423 HydrophobicContact CD2-CB 3.73Å; Y400-V423 HydrophobicContact CD2-CG2 3.55Å; Y400-V423 HydrophobicContact CE1-CG2 4.12Å; Y400-V423 HydrophobicContact CE2-CB 3.6Å; Y400-V423 HydrophobicContact CE2-CG1 4.45Å; Y400-V423 HydrophobicContact CE2-CG2 3.77Å; Y400-V423 HydrophobicContact CG-CB 4.31Å; Y400-V423 HydrophobicContact CG-CG2 3.6Å
424	F	92.5	Very high	93.2	Very high	85 Å²	85	61.9 Å²	61.9	37%	0.373	29%	0.285	S	S	.	.			trans	-120.7	112.7	175.8	177.5	-97.5	0	0	0	108.4	V21 F22 E23 P24 P426	V21-F424 HydrophobicContact CG1-CB 4.32Å; F22-F424 PolarHBondContact O-N 2.98Å; E23-F424 WeakPolarHBondContact CA-O 3.35Å; P24-F424 VanDerWaalsContact CD-O 3.3Å; P24-F424 WeakPolarHBondContact CD-O 3.47Å; F424-P426 HydrophobicContact CE1-CB 4.26Å; F424-P426 VanDerWaalsContact O-CD 3.32Å; F424-P426 WeakPolarHBondContact O-CD 3.24Å
425	R	91.4	Very high	93.2	Very high	78 Å²	78	57.1 Å²	57.1	29%	0.294	27%	0.268	S	S	.	.			trans	-91.7	110.9	174.1	-179	170.4	-175.4	168.8	6	108.7	P24 L379 S381 F634	P24-R425 HydrophobicContact CG-CB 3.76Å; P24-R425 HydrophobicContact CG-CG 3.95Å; L379-R425 WeakPolarHBondContact O-CD 3.33Å; S381-R425 WeakPolarHBondContact OG-CB 3.22Å; S381-R425 PolarHBondContact OG-N 2.94Å; S381-R425 PolarHBondContact OG-O 2.7Å; R425-F634 PolarHBondContact NH1-O 2.97Å
426	P	89.6	Confident	93.1	Very high	32 Å²	32	57.2 Å²	57.2	21%	0.208	27%	0.267	C	S	.	.			trans	-63	144.3	171.6	25.4	-32.7	0	0	0	110.8	F424 S672	F424-P426 HydrophobicContact CE1-CB 4.26Å; F424-P426 VanDerWaalsContact O-CD 3.32Å; F424-P426 WeakPolarHBondContact O-CD 3.24Å; P426-S672 WeakPolarHBondContact CA-OG 3.45Å; P426-S672 VanDerWaalsContact CB-OG 3.24Å; P426-S672 WeakPolarHBondContact CB-OG 3.49Å
427	L	90.7	Very high	93	Very high	29 Å²	29	58.5 Å²	58.5	15%	0.152	27%	0.274	C	S	.	.			trans	-115.6	88.5	167.3	179.6	63.6	0	0	0	107.6	L429 F432 T630 T669 G671 S672	L427-L429 PolarHBondContact O-N 2.77Å; L427-F432 HydrophobicContact CD1-CE2 3.89Å; L427-T630 HydrophobicContact CB-CG2 3.86Å; L427-T669 HydrophobicContact CD2-CG2 4.07Å; L427-G671 WeakPolarHBondContact O-CA 3.19Å; L427-S672 PolarHBondContact N-OG 3.33Å; L427-S672 PolarHBondContact O-N 2.88Å
428	E	89.9	Confident	92.9	Very high	82 Å²	82	60.2 Å²	60.2	38%	0.383	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-69.6	110	177	-69.1	-174.2	-136.3	0	0	110.9	I430 H431 D673	E428-I430 HydrophobicContact CB-CG1 4.2Å; E428-I430 PolarHBondContact O-N 3.01Å; E428-I430 WeakPolarHBondContact OE2-CD1 3.19Å; E428-H431 PolarHBondContact O-N 2.92Å; E428-H431 PolarHBondContact O-ND1 2.98Å; E428-H431 IonicContact OE2-CE1 2.72Å; E428-H431 PolarHBondContact OE2-CE1 3.43Å; E428-D673 HydrophobicContact CG-CB 4.34Å
429	L	91.4	Very high	92.9	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-66.4	-8.4	-178.7	-63	177.2	0	0	0	113.9	L427 H431 F432 L435 V470 T669 T675	L427-L429 PolarHBondContact O-N 2.77Å; L429-H431 PolarHBondContact O-N 3.04Å; L429-F432 PolarHBondContact O-N 3.06Å; L429-L435 HydrophobicContact CD2-CD1 3.89Å; L429-V470 HydrophobicContact CD1-CG1 3.78Å; L429-T669 HydrophobicContact CD2-CG2 4Å; L429-T675 HydrophobicContact CB-CG2 3.49Å; L429-T675 VanDerWaalsContact CB-CG2 3.49Å
430	I	89.1	Confident	92.8	Very high	48 Å²	48	59.1 Å²	59.1	25%	0.246	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-64.2	-29.8	178.2	66.7	178.1	0	0	0	112.7	E428 F432 T675 R676	E428-I430 HydrophobicContact CB-CG1 4.2Å; E428-I430 PolarHBondContact O-N 3.01Å; E428-I430 WeakPolarHBondContact OE2-CD1 3.19Å; I430-F432 PolarHBondContact O-N 3.35Å; I430-T675 HydrophobicContact CG2-CG2 4.47Å; I430-R676 HydrophobicContact CG2-CG 4.45Å
431	H	89.2	Confident	92.9	Very high	101 Å²	101	56.9 Å²	56.9	47%	0.468	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-71.2	-9.7	-179.3	-61.1	100.3	0	0	0	113.4	E428 L429 P433	E428-H431 PolarHBondContact O-N 2.92Å; E428-H431 PolarHBondContact O-ND1 2.98Å; E428-H431 IonicContact OE2-CE1 2.72Å; E428-H431 PolarHBondContact OE2-CE1 3.43Å; L429-H431 PolarHBondContact O-N 3.04Å; H431-P433 WeakPolarHBondContact O-CD 3.44Å
432	F	90.7	Very high	92.9	Very high	31 Å²	31	61.4 Å²	61.4	14%	0.136	29%	0.293	C	S	.	.			trans	-126.1	72.4	-178.7	-48.4	-76.3	0	0	0	111.1	L180 L427 L429 I430 R434 L435	L180-F432 HydrophobicContact CD2-CD1 4.4Å; L180-F432 HydrophobicContact CD2-CE1 3.68Å; L180-F432 HydrophobicContact CD2-CE2 4.09Å; L180-F432 HydrophobicContact CD2-CZ 3.51Å; L180-F432 HydrophobicContact CG-CE1 4.22Å; L427-F432 HydrophobicContact CD1-CE2 3.89Å; L429-F432 PolarHBondContact O-N 3.06Å; I430-F432 PolarHBondContact O-N 3.35Å; F432-R434 PolarHBondContact O-N 3.02Å; F432-L435 HydrophobicContact CB-CB 4.39Å; F432-L435 HydrophobicContact CB-CD1 3.55Å; F432-L435 HydrophobicContact CB-CG 3.7Å; F432-L435 HydrophobicContact CD2-CD1 4.23Å; F432-L435 HydrophobicContact CG-CD1 4.1Å; F432-L435 WeakPolarHBondContact O-CB 3.31Å; F432-L435 PolarHBondContact O-N 2.79Å
433	P	89.8	Confident	92.9	Very high	79 Å²	79	63.3 Å²	63.3	51%	0.513	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-51.5	-35.8	-176.4	-29.5	35.9	0	0	0	114.2	H431 L435 R436	H431-P433 WeakPolarHBondContact O-CD 3.44Å; P433-L435 PolarHBondContact O-N 3.11Å; P433-L435 VanDerWaalsContact O-N 3.1Å; P433-R436 VanDerWaalsContact O-CB 3.27Å; P433-R436 WeakPolarHBondContact O-CB 3.13Å; P433-R436 WeakPolarHBondContact O-CG 3.42Å; P433-R436 PolarHBondContact O-N 3.29Å
434	R	93.1	Very high	93	Very high	117 Å²	117	67.9 Å²	67.9	44%	0.442	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-58.5	-21.4	176.8	-64.2	-176.5	-175.3	175.1	4.1	114.6	S175 L176 F432 R436 D437	S175-R434 PolarHBondContact O-NH1 2.84Å; S175-R434 PolarHBondContact OG-NH1 3.09Å; L176-R434 HydrophobicContact CD2-CB 3.97Å; F432-R434 PolarHBondContact O-N 3.02Å; R434-R436 PolarHBondContact O-N 2.98Å; R434-D437 WeakPolarHBondContact CA-OD2 3.44Å; R434-D437 PolarHBondContact O-N 2.93Å
435	L	93.5	Very high	93.1	Very high	22 Å²	22	64.6 Å²	64.6	12%	0.115	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-74.4	-17.1	175.4	-65	-176.3	0	0	0	112.7	L429 F432 P433 K466 T467 G468 T669	L429-L435 HydrophobicContact CD2-CD1 3.89Å; F432-L435 HydrophobicContact CB-CB 4.39Å; F432-L435 HydrophobicContact CB-CD1 3.55Å; F432-L435 HydrophobicContact CB-CG 3.7Å; F432-L435 HydrophobicContact CD2-CD1 4.23Å; F432-L435 HydrophobicContact CG-CD1 4.1Å; F432-L435 WeakPolarHBondContact O-CB 3.31Å; F432-L435 PolarHBondContact O-N 2.79Å; P433-L435 PolarHBondContact O-N 3.11Å; P433-L435 VanDerWaalsContact O-N 3.1Å; L435-K466 WeakPolarHBondContact O-CB 3.16Å; L435-T467 PolarHBondContact O-N 2.77Å; L435-G468 PolarHBondContact O-N 2.84Å; L435-T669 HydrophobicContact CD1-CG2 3.73Å
436	R	91.3	Very high	93.2	Very high	57 Å²	57	64.8 Å²	64.8	22%	0.215	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-22.8	174.3	-50.9	175.1	-170.5	-178.4	-7.4	112.3	P433 R434 K466 T675 E677	P433-R436 VanDerWaalsContact O-CB 3.27Å; P433-R436 WeakPolarHBondContact O-CB 3.13Å; P433-R436 WeakPolarHBondContact O-CG 3.42Å; P433-R436 PolarHBondContact O-N 3.29Å; R434-R436 PolarHBondContact O-N 2.98Å; R436-K466 WeakPolarHBondContact O-CB 3.24Å; R436-T675 HydrophobicContact CG-CG2 3.94Å; R436-E677 IonicContact CZ-OE1 2.95Å; R436-E677 VanDerWaalsContact CZ-OE1 3.24Å; R436-E677 IonicContact CZ-OE2 3.83Å; R436-E677 IonicContact NH1-OE1 2.64Å; R436-E677 PolarHBondContact NH1-OE1 3.17Å; R436-E677 IonicContact NH1-OE2 2.78Å; R436-E677 PolarHBondContact NH1-OE2 3.19Å; R436-E677 IonicContact NH2-OE1 3.74Å; R436-E677 PolarHBondContact NH2-OE1 2.71Å
437	D	93.6	Very high	93.2	Very high	96 Å²	96	63.7 Å²	63.7	51%	0.513	31%	0.306	S	S	.	.	S	Bend	trans	-67.5	139.9	-176.9	-66.7	-34.4	0	0	0	111.5	R434 I439	R434-D437 WeakPolarHBondContact CA-OD2 3.44Å; R434-D437 PolarHBondContact O-N 2.93Å; D437-I439 PolarHBondContact O-N 3.1Å
438	R	95.5	Very high	92.8	Very high	114 Å²	114	68.7 Å²	68.7	43%	0.43	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-64.1	117.5	171.2	-178.2	-161.3	168.8	125.6	8.9	109.1	A463 V464 N465	R438-A463 VanDerWaalsContact NH2-CB 3.29Å; R438-V464 WeakPolarHBondContact CG-O 3.28Å; R438-N465 WeakPolarHBondContact CA-O 3.47Å
439	I	96.1	Very high	92.2	Very high	34 Å²	34	66.1 Å²	66.1	17%	0.174	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.6	175.7	-58.6	-157.1	0	0	0	110	L176 D437 A463 V464 T467 I666	L176-I439 HydrophobicContact CD1-CD1 3.55Å; L176-I439 HydrophobicContact CD2-CD1 4.49Å; D437-I439 PolarHBondContact O-N 3.1Å; I439-A463 CarbonylContact O-C 3.57Å; I439-A463 VanDerWaalsContact O-CA 3.27Å; I439-A463 WeakPolarHBondContact O-CA 3.4Å; I439-V464 HydrophobicContact CB-CG2 4.19Å; I439-V464 PolarHBondContact N-O 2.78Å; I439-V464 PolarHBondContact O-N 2.95Å; I439-T467 HydrophobicContact CB-CG2 4.14Å; I439-T467 HydrophobicContact CD1-CG2 3.66Å; I439-T467 HydrophobicContact CG1-CG2 3.9Å; I439-I666 HydrophobicContact CG2-CD1 4.41Å
440	T	96.9	Very high	91.3	Very high	76 Å²	76	70.8 Å²	70.8	47%	0.466	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.2	169.9	-57.5	0	0	0	0	108.5	A463	T440-A463 HydrophobicContact CG2-CB 4.09Å; T440-A463 WeakPolarHBondContact OG1-CB 3.45Å
441	L	97.1	Very high	90.9	Very high	50 Å²	50	74.6 Å²	74.6	26%	0.262	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.1	172	-179.6	64.4	0	0	0	108.6	L462 M664 Q665 I666	L441-L462 PolarHBondContact N-O 3.28Å; L441-L462 PolarHBondContact O-N 3.05Å; L441-M664 HydrophobicContact CB-CE 4.15Å; L441-M664 HydrophobicContact CD2-CB 4.13Å; L441-M664 HydrophobicContact CD2-CE 3.97Å; L441-M664 HydrophobicContact CG-CE 3.74Å; L441-M664 WeakPolarHBondContact O-CE 3.34Å; L441-Q665 WeakPolarHBondContact CD2-O 3.5Å; L441-I666 HydrophobicContact CB-CD1 4.11Å; L441-I666 HydrophobicContact CB-CG1 4.13Å; L441-I666 HydrophobicContact CD2-CG1 4.22Å
442	H	97.3	Very high	90.3	Very high	101 Å²	101	74.5 Å²	74.5	47%	0.468	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135	170.7	-178.4	79.9	0	0	0	109.5	D461	H442-D461 IonicContact CE1-OD1 2.65Å; H442-D461 IonicContact CG-OD1 2.68Å; H442-D461 IonicContact ND1-OD1 3.71Å; H442-D461 PolarHBondContact ND1-OD1 3.18Å
443	R	97.2	Very high	89.4	Confident	98 Å²	98	77.4 Å²	77.4	37%	0.37	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	130.1	173.6	-169.6	167.2	-171.7	178.5	13.8	111.3	F445 C460 C663 M664	R443-F445 HydrophobicContact CB-CE2 4.29Å; R443-F445 HydrophobicContact CB-CZ 4.3Å; R443-F445 VanDerWaalsContact CD-CZ 3.49Å; R443-F445 HydrophobicContact CG-CD1 4.43Å; R443-F445 HydrophobicContact CG-CE1 3.99Å; R443-F445 HydrophobicContact CG-CE2 4.13Å; R443-F445 HydrophobicContact CG-CZ 3.84Å; R443-C460 PolarHBondContact N-O 2.78Å; R443-C460 PolarHBondContact O-N 3.05Å; R443-C663 PolarHBondContact NH1-O 2.9Å; R443-M664 HydrophobicContact CB-CE 3.71Å; R443-M664 HydrophobicContact CB-CG 4.14Å; R443-M664 HydrophobicContact CB-SD 3.98Å
444	E	96.9	Very high	88.7	Confident	96 Å²	96	78.6 Å²	78.6	45%	0.449	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.5	166.7	-51	-165.5	132.8	0	0	109.6	I458 L459	E444-I458 WeakPolarHBondContact CA-O 3.32Å; E444-L459 HydrophobicContact CB-CD2 4.21Å; E444-L459 HydrophobicContact CG-CD2 3.66Å; E444-L459 WeakPolarHBondContact OE1-CD2 3.42Å
445	F	95.5	Very high	88.2	Confident	15 Å²	15	76.7 Å²	76.7	7%	0.066	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.9	169.8	-54.8	-86.3	0	0	0	110.3	R443 L457 I458 C460 L650 H662 C663 M664	R443-F445 HydrophobicContact CB-CE2 4.29Å; R443-F445 HydrophobicContact CB-CZ 4.3Å; R443-F445 VanDerWaalsContact CD-CZ 3.49Å; R443-F445 HydrophobicContact CG-CD1 4.43Å; R443-F445 HydrophobicContact CG-CE1 3.99Å; R443-F445 HydrophobicContact CG-CE2 4.13Å; R443-F445 HydrophobicContact CG-CZ 3.84Å; F445-L457 CarbonylContact O-C 3.48Å; F445-L457 WeakPolarHBondContact O-CA 3.35Å; F445-I458 HydrophobicContact CB-CB 4.28Å; F445-I458 HydrophobicContact CD2-CB 4.45Å; F445-I458 PolarHBondContact N-O 3.43Å; F445-I458 PolarHBondContact O-N 3.28Å; F445-C460 HydrophobicContact CE2-CB 4.1Å; F445-L650 HydrophobicContact CE2-CD1 4.19Å; F445-H662 HydrophobicContact CD1-CB 3.66Å; F445-H662 AromaticContact CD1-CG 3.74Å; F445-H662 AromaticContact CD1-ND1 3.65Å; F445-H662 HydrophobicContact CD2-CB 4.01Å; F445-H662 HydrophobicContact CE1-CB 3.66Å; F445-H662 HydrophobicContact CE2-CB 4.01Å; F445-H662 HydrophobicContact CG-CB 3.81Å; F445-H662 AromaticContact CG-CG 3.74Å; F445-H662 AromaticContact CG-ND1 3.94Å; F445-H662 HydrophobicContact CZ-CB 3.82Å; F445-C663 VanDerWaalsContact CZ-O 3.31Å; F445-C663 WeakPolarHBondContact CZ-O 3.34Å; F445-M664 HydrophobicContact CE2-CG 4.14Å; F445-M664 HydrophobicContact CE2-SD 4.19Å; F445-M664 HydrophobicContact CZ-CG 3.7Å; F445-M664 HydrophobicContact CZ-SD 4.35Å
446	V	92.9	Very high	88	Confident	82 Å²	82	76.2 Å²	76.2	50%	0.497	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.4	171.3	-172.8	0	0	0	0	108.5	L457	V446-L457 HydrophobicContact CG2-CD2 3.87Å
447	S	88.7	Confident	88.1	Confident	9 Å²	9	76.4 Å²	76.4	6%	0.063	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.3	172.5	-179.8	0	0	0	0	109.8	G449 G456	S447-G449 PolarHBondContact O-N 3.29Å; S447-G456 PolarHBondContact N-O 2.82Å; S447-G456 PolarHBondContact O-N 2.77Å
448	L	83.4	Confident	88.3	Confident	135 Å²	135	71.8 Å²	71.8	71%	0.707	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	115.5	176.2	-64.2	177.4	0	0	0	109.9	R487	L448-R487 PolarHBondContact O-NH2 2.98Å
449	G	76.6	Confident	88.4	Confident	28 Å²	28	67.6 Å²	67.6	29%	0.289	39%	0.392	S	S	.	.			trans	-89.8	-175.1	-178	0	0	0	0	0	113.9	S447 H453 P454	S447-G449 PolarHBondContact O-N 3.29Å; G449-H453 WeakPolarHBondContact CA-O 3.49Å; G449-P454 PolarHBondContact N-O 2.89Å
450	C	73.7	Confident	88.5	Confident	97 Å²	97	66 Å²	66	66%	0.655	38%	0.384	S	S	*	.			trans	-88.2	169.3	166	-168.6	0	0	0	0	109.4	S452 H453	C450-S452 PolarHBondContact O-N 3.12Å; C450-H453 CarbonylContact O-C 3.31Å; C450-H453 VanDerWaalsContact O-C 3.31Å; C450-H453 PolarHBondContact O-N 3.28Å
451	C	79.5	Confident	88.5	Confident	128 Å²	128	64.4 Å²	64.4	87%	0.865	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-22.3	-172.5	-53.4	0	0	0	0	115.8
452	S	76.8	Confident	88.6	Confident	99 Å²	99	62 Å²	62	69%	0.692	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-20.6	176.1	-45.6	0	0	0	0	114.9	C450	C450-S452 PolarHBondContact O-N 3.12Å
453	H	72.9	Confident	88.6	Confident	92 Å²	92	57.5 Å²	57.5	43%	0.426	34%	0.34	S	S	.	.	S	Bend	trans	-144.6	79.8	-176.5	-62	99.6	0	0	0	108.1	G449 C450 S455 Q613	G449-H453 WeakPolarHBondContact CA-O 3.49Å; C450-H453 CarbonylContact O-C 3.31Å; C450-H453 VanDerWaalsContact O-C 3.31Å; C450-H453 PolarHBondContact O-N 3.28Å; H453-S455 VanDerWaalsContact C-N 3.3Å; H453-S455 PolarHBondContact O-N 3.16Å; H453-S455 VanDerWaalsContact O-N 3.16Å; H453-Q613 PolarHBondContact CD2-NE2 3.32Å; H453-Q613 PolarHBondContact CE1-NE2 2.91Å; H453-Q613 PolarHBondContact NE2-NE2 3.35Å
454	P	73.8	Confident	88.6	Confident	105 Å²	105	52.9 Å²	52.9	68%	0.682	32%	0.323	S	S	*	.	S	Bend	trans	-59.1	-36.3	-160.7	19.8	-32.6	0	0	0	114.3	G449	G449-P454 PolarHBondContact N-O 2.89Å
455	S	82	Confident	88.6	Confident	77 Å²	77	50.7 Å²	50.7	54%	0.538	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	148.2	170.9	57.9	0	0	0	0	109.5	H453	H453-S455 VanDerWaalsContact C-N 3.3Å; H453-S455 PolarHBondContact O-N 3.16Å; H453-S455 VanDerWaalsContact O-N 3.16Å
456	G	89.2	Confident	88.6	Confident	11 Å²	11	50.6 Å²	50.6	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143.9	171.3	0	0	0	0	0	112.4	S447 R484	S447-G456 PolarHBondContact N-O 2.82Å; S447-G456 PolarHBondContact O-N 2.77Å; G456-R484 WeakPolarHBondContact CA-O 3.36Å
457	L	94.8	Very high	88.8	Confident	61 Å²	61	46.9 Å²	46.9	32%	0.319	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.2	-167.8	-59.5	177	0	0	0	111.8	F445 V446 L459 R484	F445-L457 CarbonylContact O-C 3.48Å; F445-L457 WeakPolarHBondContact O-CA 3.35Å; V446-L457 HydrophobicContact CG2-CD2 3.87Å; L457-L459 HydrophobicContact CB-CD2 4.36Å; L457-R484 CarbonylContact O-C 3.5Å; L457-R484 VanDerWaalsContact O-CA 3.27Å; L457-R484 WeakPolarHBondContact O-CA 3.42Å; L457-R484 VanDerWaalsContact O-CB 3.26Å; L457-R484 WeakPolarHBondContact O-CB 3.35Å; L457-R484 PolarHBondContact O-N 3.1Å
458	I	97.3	Very high	89.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.3	166.6	-55.4	170.7	0	0	0	106.6	E444 F445 I481 N483 I489 L650 M652	E444-I458 WeakPolarHBondContact CA-O 3.32Å; F445-I458 HydrophobicContact CB-CB 4.28Å; F445-I458 HydrophobicContact CD2-CB 4.45Å; F445-I458 PolarHBondContact N-O 3.43Å; F445-I458 PolarHBondContact O-N 3.28Å; I458-I481 HydrophobicContact CG2-CG2 3.89Å; I458-N483 WeakPolarHBondContact CG1-OD1 3.46Å; I458-I489 HydrophobicContact CD1-CD1 4.46Å; I458-I489 HydrophobicContact CG2-CD1 4Å; I458-L650 HydrophobicContact CG2-CD1 4.1Å; I458-M652 HydrophobicContact CD1-CE 3.69Å; I458-M652 HydrophobicContact CD1-SD 3.62Å
459	L	97.6	Very high	89.8	Confident	26 Å²	26	40.1 Å²	40.1	14%	0.136	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127	173.1	-47.1	178.5	0	0	0	107.4	E444 L457 I481 T482	E444-L459 HydrophobicContact CB-CD2 4.21Å; E444-L459 HydrophobicContact CG-CD2 3.66Å; E444-L459 WeakPolarHBondContact OE1-CD2 3.42Å; L457-L459 HydrophobicContact CB-CD2 4.36Å; L459-I481 WeakPolarHBondContact O-CA 3.45Å; L459-T482 PolarHBondContact N-O 3.16Å; L459-T482 PolarHBondContact O-N 3.22Å
460	C	98.2	Very high	90.7	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125	-179.9	-166.2	0	0	0	0	111.2	R443 F445 H480 L650 M664	R443-C460 PolarHBondContact N-O 2.78Å; R443-C460 PolarHBondContact O-N 3.05Å; F445-C460 HydrophobicContact CE2-CB 4.1Å; C460-H480 WeakPolarHBondContact CA-O 3.39Å; C460-L650 HydrophobicContact CB-CD1 4.34Å; C460-M664 HydrophobicContact CB-SD 3.63Å; C460-M664 WeakPolarHBondContact O-CE 3.24Å; C460-M664 PolarHBondContact SG-SD 2.84Å
461	D	98.1	Very high	91.6	Very high	43 Å²	43	35.1 Å²	35.1	23%	0.23	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.3	170.9	-48.2	-67.3	0	0	0	108.4	H442 V479 H480	H442-D461 IonicContact CE1-OD1 2.65Å; H442-D461 IonicContact CG-OD1 2.68Å; H442-D461 IonicContact ND1-OD1 3.71Å; H442-D461 PolarHBondContact ND1-OD1 3.18Å; D461-V479 VanDerWaalsContact O-CA 3.32Å; D461-V479 WeakPolarHBondContact O-CA 3.47Å; D461-H480 HydrophobicContact CB-CB 4.21Å; D461-H480 PolarHBondContact N-O 3.09Å; D461-H480 PolarHBondContact O-N 3.03Å; D461-H480 IonicContact OD2-CE1 3.63Å; D461-H480 IonicContact OD2-CG 2.73Å; D461-H480 IonicContact OD2-ND1 3.68Å; D461-H480 PolarHBondContact OD2-ND1 3.45Å
462	L	98.2	Very high	92.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.3	169.5	173	64.1	0	0	0	107.9	L441 V479 L494 L646 L648 M664 I666	L441-L462 PolarHBondContact N-O 3.28Å; L441-L462 PolarHBondContact O-N 3.05Å; L462-V479 HydrophobicContact CD1-CG2 3.83Å; L462-L494 HydrophobicContact CD1-CD1 4.41Å; L462-L646 HydrophobicContact CD1-CD2 4.35Å; L462-L648 HydrophobicContact CB-CD2 4.25Å; L462-L648 HydrophobicContact CD1-CD2 4.43Å; L462-L648 HydrophobicContact CD2-CB 3.97Å; L462-M664 HydrophobicContact CB-CE 3.83Å; L462-M664 HydrophobicContact CB-SD 4.4Å; L462-M664 HydrophobicContact CD2-CB 4.2Å; L462-I666 HydrophobicContact CD2-CD1 3.93Å; L462-I666 HydrophobicContact CD2-CG1 3.97Å; L462-I666 HydrophobicContact CG-CD1 3.79Å; L462-I666 HydrophobicContact CG-CG1 4.39Å
463	A	98	Very high	92.9	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.041	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.6	176.3	0	0	0	0	0	112.1	R438 I439 T440 P477 Q478	R438-A463 VanDerWaalsContact NH2-CB 3.29Å; I439-A463 CarbonylContact O-C 3.57Å; I439-A463 VanDerWaalsContact O-CA 3.27Å; I439-A463 WeakPolarHBondContact O-CA 3.4Å; T440-A463 HydrophobicContact CG2-CB 4.09Å; T440-A463 WeakPolarHBondContact OG1-CB 3.45Å; A463-P477 WeakPolarHBondContact O-CA 3.22Å; A463-Q478 HydrophobicContact CB-CB 4.38Å; A463-Q478 PolarHBondContact N-O 2.87Å; A463-Q478 PolarHBondContact O-N 3.31Å
464	V	97.7	Very high	94	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.2	172.2	-70.1	0	0	0	0	109.8	R438 I439 K466 T467 I475 L646 I666	R438-V464 WeakPolarHBondContact CG-O 3.28Å; I439-V464 HydrophobicContact CB-CG2 4.19Å; I439-V464 PolarHBondContact N-O 2.78Å; I439-V464 PolarHBondContact O-N 2.95Å; V464-K466 VanDerWaalsContact C-N 3.26Å; V464-K466 WeakPolarHBondContact CG2-O 3.43Å; V464-K466 PolarHBondContact O-N 2.9Å; V464-T467 HydrophobicContact CG2-CG2 3.94Å; V464-I475 HydrophobicContact CB-CG2 4.41Å; V464-I475 HydrophobicContact CG1-CG2 3.97Å; V464-L646 HydrophobicContact CG1-CD2 3.45Å; V464-L646 VanDerWaalsContact CG1-CD2 3.45Å; V464-I666 HydrophobicContact CG1-CD1 4.39Å; V464-I666 HydrophobicContact CG2-CD1 4.11Å; V464-I666 HydrophobicContact CG2-CG2 4.08Å
465	N	96.1	Very high	95.1	Very high	49 Å²	49	18.9 Å²	18.9	26%	0.262	12%	0.12	S	C	.	.	S	Bend	trans	-57.7	-36	179.9	52.5	-38.2	0	0	0	113.4	R438 F469 T474 I476	R438-N465 WeakPolarHBondContact CA-O 3.47Å; N465-F469 WeakPolarHBondContact OD1-CZ 3.33Å; N465-T474 PolarHBondContact ND2-O 2.82Å; N465-I476 HydrophobicContact CB-CB 4.28Å; N465-I476 PolarHBondContact OD1-N 2.95Å
466	K	96.1	Very high	95.8	Very high	14 Å²	14	17.9 Å²	17.9	6%	0.061	11%	0.108	C	C	.	.			trans	-159.4	-177.4	172.8	63.2	177.5	-178.3	150.7	0	109.3	L435 R436 V464 G468 F469 E473 T678	L435-K466 WeakPolarHBondContact O-CB 3.16Å; R436-K466 WeakPolarHBondContact O-CB 3.24Å; V464-K466 VanDerWaalsContact C-N 3.26Å; V464-K466 WeakPolarHBondContact CG2-O 3.43Å; V464-K466 PolarHBondContact O-N 2.9Å; K466-G468 WeakPolarHBondContact CD-O 3.23Å; K466-G468 WeakPolarHBondContact CE-O 3.38Å; K466-G468 PolarHBondContact NZ-O 2.89Å; K466-F469 HydrophobicContact CB-CZ 4.47Å; K466-F469 HydrophobicContact CD-CD1 4.47Å; K466-F469 HydrophobicContact CD-CE1 4.24Å; K466-F469 HydrophobicContact CG-CD1 4.16Å; K466-F469 HydrophobicContact CG-CE1 3.56Å; K466-F469 HydrophobicContact CG-CE2 3.99Å; K466-F469 HydrophobicContact CG-CZ 3.46Å; K466-F469 VanDerWaalsContact CG-CZ 3.46Å; K466-F469 WeakPolarHBondContact O-CE2 2.93Å; K466-F469 VanDerWaalsContact O-CZ 3.28Å; K466-F469 WeakPolarHBondContact O-CZ 3.39Å; K466-E473 WeakPolarHBondContact CE-OE2 3.15Å; K466-E473 IonicContact NZ-OE1 3.71Å; K466-E473 PolarHBondContact NZ-OE1 2.77Å; K466-E473 IonicContact NZ-OE2 3.65Å; K466-E473 PolarHBondContact NZ-OE2 2.88Å; K466-T678 HydrophobicContact CD-CG2 4.27Å
467	T	96.9	Very high	96.2	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.025	10%	0.103	C	C	.	.	S	Bend	trans	-121.5	-18	173.3	47.2	0	0	0	0	115.4	L435 I439 V464 I666 P667 I668 T669	L435-T467 PolarHBondContact O-N 2.77Å; I439-T467 HydrophobicContact CB-CG2 4.14Å; I439-T467 HydrophobicContact CD1-CG2 3.66Å; I439-T467 HydrophobicContact CG1-CG2 3.9Å; V464-T467 HydrophobicContact CG2-CG2 3.94Å; T467-I666 HydrophobicContact CG2-CG2 3.68Å; T467-P667 WeakPolarHBondContact CG2-O 3.5Å; T467-I668 HydrophobicContact CG2-CD1 4.38Å; T467-T669 PolarHBondContact O-N 2.98Å
468	G	96.7	Very high	96.3	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.5	170.2	0	0	0	0	0	111.2	L435 K466 T669	L435-G468 PolarHBondContact O-N 2.84Å; K466-G468 WeakPolarHBondContact CD-O 3.23Å; K466-G468 WeakPolarHBondContact CE-O 3.38Å; K466-G468 PolarHBondContact NZ-O 2.89Å; G468-T669 CarbonylContact C-O 3.56Å; G468-T669 WeakPolarHBondContact CA-O 3.42Å
469	F	96.2	Very high	96.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	158.4	178.3	-62.4	-92.4	0	0	0	111.6	N465 K466 E473 T474 I475 V625 I668 T669 I670 G671	N465-F469 WeakPolarHBondContact OD1-CZ 3.33Å; K466-F469 HydrophobicContact CB-CZ 4.47Å; K466-F469 HydrophobicContact CD-CD1 4.47Å; K466-F469 HydrophobicContact CD-CE1 4.24Å; K466-F469 HydrophobicContact CG-CD1 4.16Å; K466-F469 HydrophobicContact CG-CE1 3.56Å; K466-F469 HydrophobicContact CG-CE2 3.99Å; K466-F469 HydrophobicContact CG-CZ 3.46Å; K466-F469 VanDerWaalsContact CG-CZ 3.46Å; K466-F469 WeakPolarHBondContact O-CE2 2.93Å; K466-F469 VanDerWaalsContact O-CZ 3.28Å; K466-F469 WeakPolarHBondContact O-CZ 3.39Å; F469-E473 WeakPolarHBondContact CA-OE2 3.5Å; F469-E473 HydrophobicContact CD1-CB 4.15Å; F469-T474 WeakPolarHBondContact CE1-O 3.32Å; F469-I475 HydrophobicContact CD1-CG1 4.08Å; F469-I475 HydrophobicContact CD2-CD1 4.41Å; F469-I475 HydrophobicContact CD2-CG1 4.08Å; F469-I475 HydrophobicContact CE1-CB 4.18Å; F469-I475 HydrophobicContact CE1-CG1 3.89Å; F469-I475 HydrophobicContact CE1-CG2 4.49Å; F469-I475 HydrophobicContact CE2-CB 4.42Å; F469-I475 HydrophobicContact CE2-CD1 4.33Å; F469-I475 HydrophobicContact CE2-CG1 3.87Å; F469-I475 HydrophobicContact CE2-CG2 4.14Å; F469-I475 HydrophobicContact CG-CG1 4.18Å; F469-I475 HydrophobicContact CZ-CB 3.96Å; F469-I475 HydrophobicContact CZ-CG1 3.78Å; F469-I475 HydrophobicContact CZ-CG2 3.8Å; F469-V625 HydrophobicContact CB-CG2 3.95Å; F469-V625 HydrophobicContact CD1-CG2 4.46Å; F469-V625 HydrophobicContact CG-CG2 4.28Å; F469-I668 HydrophobicContact CD2-CG2 3.94Å; F469-I668 HydrophobicContact CE2-CD1 4.17Å; F469-T669 PolarHBondContact N-O 2.8Å; F469-I670 HydrophobicContact CB-CD1 4.2Å; F469-I670 CarbonylContact O-C 3.55Å; F469-I670 VanDerWaalsContact O-CA 3.28Å; F469-I670 WeakPolarHBondContact O-CA 3.46Å; F469-G671 PolarHBondContact O-N 2.97Å
470	V	94.1	Very high	96.4	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.024	10%	0.097	C	C	.	.			trans	-117.1	157.5	165.1	-57.4	0	0	0	0	110.9	L429 G472 E473 P674	L429-V470 HydrophobicContact CD1-CG1 3.78Å; V470-G472 PolarHBondContact O-N 2.82Å; V470-E473 HydrophobicContact CG2-CG 3.86Å; V470-E473 PolarHBondContact N-OE2 2.74Å; V470-E473 WeakPolarHBondContact O-CB 3.34Å; V470-E473 PolarHBondContact O-N 2.75Å; V470-P674 HydrophobicContact CG2-CB 3.99Å
471	P	93	Very high	96.4	Very high	16 Å²	16	16.6 Å²	16.6	10%	0.104	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	131.8	174	-30.7	38.5	0	0	0	112.9	I670 G671 Y718	P471-I670 HydrophobicContact CG-CG2 4.36Å; P471-G671 WeakPolarHBondContact CD-O 3.46Å; P471-Y718 HydrophobicContact CB-CD2 3.62Å; P471-Y718 HydrophobicContact CB-CE2 3.43Å; P471-Y718 VanDerWaalsContact CB-CE2 3.43Å; P471-Y718 HydrophobicContact CG-CD2 4.44Å
472	G	90.5	Very high	96.4	Very high	36 Å²	36	14.9 Å²	14.9	37%	0.371	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-18.5	-173.9	0	0	0	0	0	115.3	V470 V625	V470-G472 PolarHBondContact O-N 2.82Å; G472-V625 PolarHBondContact N-O 3.34Å
473	E	93.7	Very high	96.4	Very high	14 Å²	14	14.9 Å²	14.9	7%	0.065	9%	0.088	C	C	.	.			trans	-74	170.7	171.7	-71.2	-173.7	131.7	0	0	112.5	K466 F469 V470 V625 F680	K466-E473 WeakPolarHBondContact CE-OE2 3.15Å; K466-E473 IonicContact NZ-OE1 3.71Å; K466-E473 PolarHBondContact NZ-OE1 2.77Å; K466-E473 IonicContact NZ-OE2 3.65Å; K466-E473 PolarHBondContact NZ-OE2 2.88Å; F469-E473 WeakPolarHBondContact CA-OE2 3.5Å; F469-E473 HydrophobicContact CD1-CB 4.15Å; V470-E473 HydrophobicContact CG2-CG 3.86Å; V470-E473 PolarHBondContact N-OE2 2.74Å; V470-E473 WeakPolarHBondContact O-CB 3.34Å; V470-E473 PolarHBondContact O-N 2.75Å; E473-V625 PolarHBondContact O-N 3.06Å; E473-F680 HydrophobicContact CG-CZ 3.96Å
474	T	95.1	Very high	96.2	Very high	33 Å²	33	21.7 Å²	21.7	20%	0.202	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123	-178.2	-44.7	0	0	0	0	111.5	N465 F469 L622 I623 H624	N465-T474 PolarHBondContact ND2-O 2.82Å; F469-T474 WeakPolarHBondContact CE1-O 3.32Å; T474-L622 HydrophobicContact CG2-CB 3.99Å; T474-L622 HydrophobicContact CG2-CD2 4.13Å; T474-I623 CarbonylContact C-O 3.56Å; T474-I623 WeakPolarHBondContact CA-O 3Å; T474-H624 PolarHBondContact OG1-CE1 2.85Å; T474-H624 VanDerWaalsContact OG1-CE1 3.26Å; T474-H624 PolarHBondContact OG1-ND1 2.79Å
475	I	97	Very high	96.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.8	166	-42.7	-178.9	0	0	0	107.4	V464 F469 P477 F496 I623 V625 I668	V464-I475 HydrophobicContact CB-CG2 4.41Å; V464-I475 HydrophobicContact CG1-CG2 3.97Å; F469-I475 HydrophobicContact CD1-CG1 4.08Å; F469-I475 HydrophobicContact CD2-CD1 4.41Å; F469-I475 HydrophobicContact CD2-CG1 4.08Å; F469-I475 HydrophobicContact CE1-CB 4.18Å; F469-I475 HydrophobicContact CE1-CG1 3.89Å; F469-I475 HydrophobicContact CE1-CG2 4.49Å; F469-I475 HydrophobicContact CE2-CB 4.42Å; F469-I475 HydrophobicContact CE2-CD1 4.33Å; F469-I475 HydrophobicContact CE2-CG1 3.87Å; F469-I475 HydrophobicContact CE2-CG2 4.14Å; F469-I475 HydrophobicContact CG-CG1 4.18Å; F469-I475 HydrophobicContact CZ-CB 3.96Å; F469-I475 HydrophobicContact CZ-CG1 3.78Å; F469-I475 HydrophobicContact CZ-CG2 3.8Å; I475-P477 WeakPolarHBondContact O-CD 3.36Å; I475-F496 HydrophobicContact CD1-CD2 4.15Å; I475-F496 HydrophobicContact CD1-CE2 4.08Å; I475-F496 HydrophobicContact CD1-CG 4.46Å; I475-F496 HydrophobicContact CD1-CZ 4.3Å; I475-I623 HydrophobicContact CB-CB 4.24Å; I475-I623 PolarHBondContact N-O 2.72Å; I475-I623 PolarHBondContact O-N 2.93Å; I475-V625 HydrophobicContact CD1-CG2 4.17Å; I475-V625 HydrophobicContact CG1-CG2 3.81Å; I475-I668 HydrophobicContact CD1-CG2 4.43Å
476	I	97.1	Very high	95.9	Very high	55 Å²	55	20.9 Å²	20.9	28%	0.282	12%	0.117	S	C	.	.			trans	-109.7	83.2	177.1	-51	-177.6	0	0	0	108.5	N465 L622	N465-I476 HydrophobicContact CB-CB 4.28Å; N465-I476 PolarHBondContact OD1-N 2.95Å; I476-L622 HydrophobicContact CB-CD2 4.43Å; I476-L622 HydrophobicContact CD1-CD2 4.3Å; I476-L622 HydrophobicContact CG1-CD2 3.85Å; I476-L622 HydrophobicContact CG2-CD2 4.15Å
477	P	97.9	Very high	95.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.13	C	C	.	.			trans	-65.5	133.2	172.3	28.1	-36.9	0	0	0	111.5	A463 I475 L494 T620 D621 I623 L646	A463-P477 WeakPolarHBondContact O-CA 3.22Å; I475-P477 WeakPolarHBondContact O-CD 3.36Å; P477-L494 HydrophobicContact CB-CD2 3.51Å; P477-L494 HydrophobicContact CG-CD2 3.49Å; P477-L494 VanDerWaalsContact CG-CD2 3.49Å; P477-T620 VanDerWaalsContact O-CA 3.27Å; P477-T620 WeakPolarHBondContact O-CA 3.12Å; P477-T620 PolarHBondContact O-OG1 2.85Å; P477-D621 VanDerWaalsContact CD-O 3.31Å; P477-D621 WeakPolarHBondContact CD-O 3.46Å; P477-D621 HydrophobicContact CG-CB 3.88Å; P477-D621 PolarHBondContact O-N 2.67Å; P477-I623 HydrophobicContact CG-CD1 4.24Å; P477-I623 HydrophobicContact CG-CG1 4.32Å; P477-L646 HydrophobicContact CB-CD2 4.12Å
478	Q	97.9	Very high	95.7	Very high	20 Å²	20	24.3 Å²	24.3	9%	0.093	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.3	168.9	-61.7	-176.3	-18.2	0	0	107.9	A463 Y618	A463-Q478 HydrophobicContact CB-CB 4.38Å; A463-Q478 PolarHBondContact N-O 2.87Å; A463-Q478 PolarHBondContact O-N 3.31Å; Q478-Y618 HydrophobicContact CB-CE2 4.28Å; Q478-Y618 WeakPolarHBondContact CG-OH 3.43Å
479	V	98.3	Very high	95.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.4	-179.9	-167.4	0	0	0	0	109.4	D461 L462 I481 L521 Y618 F619 L648	D461-V479 VanDerWaalsContact O-CA 3.32Å; D461-V479 WeakPolarHBondContact O-CA 3.47Å; L462-V479 HydrophobicContact CD1-CG2 3.83Å; V479-I481 HydrophobicContact CG1-CD1 4.08Å; V479-I481 HydrophobicContact CG1-CG1 3.88Å; V479-L521 HydrophobicContact CB-CD1 4.41Å; V479-L521 HydrophobicContact CG2-CD1 3.71Å; V479-Y618 CarbonylContact O-C 3.58Å; V479-Y618 WeakPolarHBondContact O-CA 3.49Å; V479-Y618 WeakPolarHBondContact O-CD2 3.34Å; V479-F619 HydrophobicContact CB-CB 4.14Å; V479-F619 HydrophobicContact CB-CD2 4.15Å; V479-F619 HydrophobicContact CG1-CD2 4.38Å; V479-F619 PolarHBondContact N-O 3.4Å; V479-F619 PolarHBondContact O-N 3.25Å; V479-L648 HydrophobicContact CG1-CD1 4.1Å; V479-L648 HydrophobicContact CG1-CD2 3.6Å; V479-L648 HydrophobicContact CG2-CD1 3.99Å; V479-L648 HydrophobicContact CG2-CD2 4.44Å
480	H	98.1	Very high	95.7	Very high	50 Å²	50	26.2 Å²	26.2	23%	0.231	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.6	172.3	170.2	-111	0	0	0	109	C460 D461 Y618	C460-H480 WeakPolarHBondContact CA-O 3.39Å; D461-H480 HydrophobicContact CB-CB 4.21Å; D461-H480 PolarHBondContact N-O 3.09Å; D461-H480 PolarHBondContact O-N 3.03Å; D461-H480 IonicContact OD2-CE1 3.63Å; D461-H480 IonicContact OD2-CG 2.73Å; D461-H480 IonicContact OD2-ND1 3.68Å; D461-H480 PolarHBondContact OD2-ND1 3.45Å; H480-Y618 HydrophobicContact CB-CD2 4.27Å
481	I	98.3	Very high	95.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.6	-176	-46.7	-173.8	0	0	0	109.7	I458 L459 V479 I489 V492 V610 Q616 A617 F619 L650	I458-I481 HydrophobicContact CG2-CG2 3.89Å; L459-I481 WeakPolarHBondContact O-CA 3.45Å; V479-I481 HydrophobicContact CG1-CD1 4.08Å; V479-I481 HydrophobicContact CG1-CG1 3.88Å; I481-I489 HydrophobicContact CG2-CD1 3.78Å; I481-V492 HydrophobicContact CD1-CG1 4.2Å; I481-V492 HydrophobicContact CD1-CG2 3.76Å; I481-V610 HydrophobicContact CB-CG2 4.2Å; I481-V610 HydrophobicContact CD1-CG2 4.26Å; I481-V610 HydrophobicContact CG2-CG2 4.2Å; I481-Q616 VanDerWaalsContact O-CA 3.28Å; I481-Q616 WeakPolarHBondContact O-CA 3.29Å; I481-A617 PolarHBondContact N-O 2.95Å; I481-A617 PolarHBondContact O-N 3.24Å; I481-F619 HydrophobicContact CD1-CD2 4.34Å; I481-F619 HydrophobicContact CD1-CE2 3.69Å; I481-F619 HydrophobicContact CD1-CZ 4.44Å; I481-F619 HydrophobicContact CG1-CD2 4.41Å; I481-F619 HydrophobicContact CG1-CE2 3.94Å; I481-L650 HydrophobicContact CD1-CD1 4.32Å; I481-L650 HydrophobicContact CD1-CD2 3.58Å
482	T	97.6	Very high	96	Very high	8 Å²	8	25.9 Å²	25.9	5%	0.049	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	104.2	169.5	-61	0	0	0	0	109.2	L459 R484 Q616	L459-T482 PolarHBondContact N-O 3.16Å; L459-T482 PolarHBondContact O-N 3.22Å; T482-R484 HydrophobicContact CG2-CG 4.11Å; T482-R484 PolarHBondContact O-N 2.99Å; T482-Q616 HydrophobicContact CG2-CG 3.95Å; T482-Q616 PolarHBondContact OG1-NE2 2.86Å
483	N	97.1	Very high	96.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	96.2	-178	179	19.5	0	0	0	111.2	I458 S485 R487 I489 V610 P611 G614 G615	I458-N483 WeakPolarHBondContact CG1-OD1 3.46Å; N483-S485 VanDerWaalsContact C-N 3.31Å; N483-S485 VanDerWaalsContact OD1-CB 3.31Å; N483-S485 WeakPolarHBondContact OD1-CB 3.31Å; N483-S485 PolarHBondContact OD1-N 2.84Å; N483-S485 PolarHBondContact OD1-OG 3.3Å; N483-R487 PolarHBondContact ND2-O 3.24Å; N483-I489 HydrophobicContact CB-CD1 4.16Å; N483-V610 HydrophobicContact CB-CB 4.41Å; N483-V610 HydrophobicContact CB-CG1 3.88Å; N483-P611 WeakPolarHBondContact CB-O 3.32Å; N483-P611 PolarHBondContact ND2-O 2.72Å; N483-G614 WeakPolarHBondContact O-CA 3.31Å; N483-G614 PolarHBondContact O-N 2.97Å; N483-G615 PolarHBondContact N-O 3Å; N483-G615 PolarHBondContact O-N 2.86Å
484	R	95.2	Very high	96.5	Very high	147 Å²	147	26.5 Å²	26.5	56%	0.555	13%	0.128	S	C	*	.			trans	-93.9	20.9	170.3	-51.2	-179.5	178.5	162.1	0.5	112.3	G456 L457 T482	G456-R484 WeakPolarHBondContact CA-O 3.36Å; L457-R484 CarbonylContact O-C 3.5Å; L457-R484 VanDerWaalsContact O-CA 3.27Å; L457-R484 WeakPolarHBondContact O-CA 3.42Å; L457-R484 VanDerWaalsContact O-CB 3.26Å; L457-R484 WeakPolarHBondContact O-CB 3.35Å; L457-R484 PolarHBondContact O-N 3.1Å; T482-R484 HydrophobicContact CG2-CG 4.11Å; T482-R484 PolarHBondContact O-N 2.99Å
485	S	94.6	Very high	96.6	Very high	1 Å²	1	26 Å²	26	1%	0.007	12%	0.124	C	C	.	.	S	Bend	trans	-88.4	157.8	172	82.9	0	0	0	0	112.2	N483 R487 D612 Q613	N483-S485 VanDerWaalsContact C-N 3.31Å; N483-S485 VanDerWaalsContact OD1-CB 3.31Å; N483-S485 WeakPolarHBondContact OD1-CB 3.31Å; N483-S485 PolarHBondContact OD1-N 2.84Å; N483-S485 PolarHBondContact OD1-OG 3.3Å; S485-R487 PolarHBondContact O-N 2.96Å; S485-R487 PolarHBondContact OG-N 3.03Å; S485-R487 PolarHBondContact OG-O 3.26Å; S485-D612 WeakPolarHBondContact O-CB 3.37Å; S485-Q613 PolarHBondContact O-N 2.97Å
486	G	92.7	Very high	96.7	Very high	34 Å²	34	26 Å²	26	35%	0.351	12%	0.124	S	C	.	.	S	Bend	trans	-80.3	25.5	173	0	0	0	0	0	114.2
487	R	94.1	Very high	96.7	Very high	89 Å²	89	23.3 Å²	23.3	34%	0.336	11%	0.111	S	C	.	.	S	Bend	trans	-139.1	135.4	172.9	-61.8	-173.2	-166.4	-172.3	7.9	108.6	L448 N483 S485 M652	L448-R487 PolarHBondContact O-NH2 2.98Å; N483-R487 PolarHBondContact ND2-O 3.24Å; S485-R487 PolarHBondContact O-N 2.96Å; S485-R487 PolarHBondContact OG-N 3.03Å; S485-R487 PolarHBondContact OG-O 3.26Å; R487-M652 HydrophobicContact CB-CE 3.76Å; R487-M652 WeakPolarHBondContact O-CE 3.47Å
488	A	95.4	Very high	96.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.			trans	-74.5	158.1	177.3	0	0	0	0	0	111	I608 D612 Q653	A488-I608 HydrophobicContact CB-CD1 3.92Å; A488-I608 HydrophobicContact CB-CG1 4.1Å; A488-I608 HydrophobicContact CB-CG2 3.68Å; A488-D612 HydrophobicContact CB-CB 4.4Å; A488-Q653 HydrophobicContact CB-CB 4.28Å; A488-Q653 VanDerWaalsContact O-CB 3.23Å; A488-Q653 WeakPolarHBondContact O-CB 3.28Å; A488-Q653 PolarHBondContact O-N 3.04Å
489	I	96.9	Very high	96.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.6	171.4	-60.1	175	0	0	0	107.4	I458 I481 N483 T491 V492 A609 V610 L650 R651 M652	I458-I489 HydrophobicContact CD1-CD1 4.46Å; I458-I489 HydrophobicContact CG2-CD1 4Å; I481-I489 HydrophobicContact CG2-CD1 3.78Å; N483-I489 HydrophobicContact CB-CD1 4.16Å; I489-T491 WeakPolarHBondContact CG2-O 3.48Å; I489-V492 HydrophobicContact CG2-CG2 3.94Å; I489-A609 PolarHBondContact O-N 2.7Å; I489-V610 HydrophobicContact CB-CB 3.96Å; I489-V610 HydrophobicContact CB-CG2 4.04Å; I489-V610 HydrophobicContact CD1-CB 4.05Å; I489-V610 HydrophobicContact CD1-CG2 3.93Å; I489-V610 HydrophobicContact CG1-CB 4.27Å; I489-V610 HydrophobicContact CG1-CG2 4.46Å; I489-V610 HydrophobicContact CG2-CG2 4.43Å; I489-V610 PolarHBondContact N-O 2.75Å; I489-V610 PolarHBondContact O-N 3.29Å; I489-L650 HydrophobicContact CD1-CD1 4.34Å; I489-L650 HydrophobicContact CG2-CB 4.33Å; I489-R651 CarbonylContact C-O 3.24Å; I489-M652 HydrophobicContact CG1-CE 4.15Å; I489-M652 HydrophobicContact CG1-SD 3.89Å
490	Q	95.8	Very high	96.2	Very high	43 Å²	43	23.1 Å²	23.1	20%	0.201	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-45.2	-177.7	-172.3	-177.4	1.8	0	0	111.3	R520 N606 I607 R651	Q490-R520 PolarHBondContact O-NH2 2.77Å; Q490-N606 PolarHBondContact NE2-OD1 3.39Å; Q490-I607 VanDerWaalsContact O-O 3.08Å; Q490-R651 PolarHBondContact N-O 3.29Å
491	T	95.9	Very high	96	Very high	13 Å²	13	23.2 Å²	23.2	8%	0.08	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.2	178.3	73.4	0	0	0	0	111.5	I489 H493 R651	I489-T491 WeakPolarHBondContact CG2-O 3.48Å; T491-H493 WeakPolarHBondContact CB-NE2 3.36Å; T491-H493 PolarHBondContact OG1-CD2 3.14Å; T491-H493 PolarHBondContact OG1-NE2 2.88Å; T491-R651 PolarHBondContact N-O 3.23Å; T491-R651 PolarHBondContact O-N 3.45Å; T491-R651 VanDerWaalsContact OG1-CB 3.31Å; T491-R651 WeakPolarHBondContact OG1-CB 3.32Å
492	V	97.7	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114	168.2	179	0	0	0	0	105.8	I481 I489 R520 L521 A609 V610 F619 L648 L650	I481-V492 HydrophobicContact CD1-CG1 4.2Å; I481-V492 HydrophobicContact CD1-CG2 3.76Å; I489-V492 HydrophobicContact CG2-CG2 3.94Å; V492-R520 CarbonylContact O-C 3.42Å; V492-R520 WeakPolarHBondContact O-CA 3.32Å; V492-L521 HydrophobicContact CB-CB 4.37Å; V492-L521 HydrophobicContact CG1-CB 4.18Å; V492-L521 HydrophobicContact CG1-CD1 3.94Å; V492-L521 HydrophobicContact CG1-CG 4.32Å; V492-L521 PolarHBondContact O-N 2.95Å; V492-A609 HydrophobicContact CG2-CB 3.93Å; V492-V610 HydrophobicContact CG2-CG2 4.46Å; V492-F619 HydrophobicContact CB-CE1 4.19Å; V492-F619 HydrophobicContact CB-CZ 4.19Å; V492-F619 HydrophobicContact CG2-CE1 4.11Å; V492-F619 HydrophobicContact CG2-CE2 4.11Å; V492-F619 HydrophobicContact CG2-CZ 3.64Å; V492-L648 HydrophobicContact CG1-CD1 3.68Å; V492-L650 HydrophobicContact CB-CD2 4.47Å; V492-L650 HydrophobicContact CG1-CD2 3.91Å; V492-L650 HydrophobicContact CG2-CD2 4.11Å
493	H	97	Very high	95.4	Very high	62 Å²	62	26.4 Å²	26.4	29%	0.287	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.4	177.8	-70.6	-79.6	0	0	0	110.1	T491 T519 L648 R649	T491-H493 WeakPolarHBondContact CB-NE2 3.36Å; T491-H493 PolarHBondContact OG1-CD2 3.14Å; T491-H493 PolarHBondContact OG1-NE2 2.88Å; H493-T519 WeakPolarHBondContact CA-O 3.26Å; H493-T519 PolarHBondContact ND1-O 3.04Å; H493-L648 CarbonylContact O-C 3.6Å; H493-L648 WeakPolarHBondContact O-CA 3.46Å; H493-R649 HydrophobicContact CB-CB 4.36Å; H493-R649 PolarHBondContact N-O 3.3Å; H493-R649 PolarHBondContact O-N 3.22Å
494	L	97.7	Very high	94.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.6	170.5	-168.9	66.4	0	0	0	108.1	L462 P477 A518 T519 L521 I623 L646 I647 L648	L462-L494 HydrophobicContact CD1-CD1 4.41Å; P477-L494 HydrophobicContact CB-CD2 3.51Å; P477-L494 HydrophobicContact CG-CD2 3.49Å; P477-L494 VanDerWaalsContact CG-CD2 3.49Å; L494-A518 WeakPolarHBondContact O-CA 3.36Å; L494-T519 HydrophobicContact CB-CG2 3.69Å; L494-T519 PolarHBondContact N-O 3.42Å; L494-T519 VanDerWaalsContact N-O 3.07Å; L494-T519 PolarHBondContact O-N 2.98Å; L494-L521 HydrophobicContact CB-CD1 4.08Å; L494-L521 HydrophobicContact CB-CD2 4.03Å; L494-L521 HydrophobicContact CB-CG 4.01Å; L494-L521 HydrophobicContact CD2-CD1 4.35Å; L494-L521 HydrophobicContact CD2-CD2 4.21Å; L494-I623 HydrophobicContact CD2-CD1 3.99Å; L494-L646 HydrophobicContact CD1-CD1 3.82Å; L494-L646 HydrophobicContact CD1-CD2 4.19Å; L494-L646 HydrophobicContact CD1-CG 3.82Å; L494-L646 HydrophobicContact CD2-CD1 4.09Å; L494-L646 HydrophobicContact CG-CD1 3.81Å; L494-L646 HydrophobicContact CG-CG 4.37Å; L494-I647 CarbonylContact C-O 3.54Å; L494-I647 WeakPolarHBondContact CA-O 3.33Å; L494-L648 HydrophobicContact CD1-CB 4.07Å; L494-L648 HydrophobicContact CD1-CD1 4.01Å
495	T	97.1	Very high	94.1	Very high	22 Å²	22	24.8 Å²	24.8	14%	0.135	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	124.4	-175.6	-61.3	0	0	0	0	109.4	A497 R515 F517 A518 I647	T495-A497 HydrophobicContact CG2-CB 4.39Å; T495-R515 HydrophobicContact CG2-CB 4.36Å; T495-R515 HydrophobicContact CG2-CG 3.93Å; T495-F517 CarbonylContact C-O 3.58Å; T495-F517 WeakPolarHBondContact CA-O 3.49Å; T495-A518 HydrophobicContact CG2-CB 4.34Å; T495-I647 PolarHBondContact N-O 3.05Å; T495-I647 PolarHBondContact O-N 3.34Å
496	F	97.8	Very high	93.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.4	168.7	178.4	-131.7	0	0	0	107.8	I475 I516 F517 I623 L628 Y644 S645 L646 I668 I670	I475-F496 HydrophobicContact CD1-CD2 4.15Å; I475-F496 HydrophobicContact CD1-CE2 4.08Å; I475-F496 HydrophobicContact CD1-CG 4.46Å; I475-F496 HydrophobicContact CD1-CZ 4.3Å; F496-I516 HydrophobicContact CD1-CB 3.99Å; F496-I516 HydrophobicContact CD1-CD1 3.89Å; F496-I516 HydrophobicContact CD1-CG2 3.92Å; F496-I516 HydrophobicContact CE1-CB 4.46Å; F496-I516 HydrophobicContact CE1-CD1 3.69Å; F496-I516 HydrophobicContact CE1-CG2 4.2Å; F496-I516 HydrophobicContact CG-CD1 4.42Å; F496-I516 HydrophobicContact CZ-CD1 4.03Å; F496-I516 WeakPolarHBondContact O-CB 3.48Å; F496-I516 PolarHBondContact O-N 3.48Å; F496-F517 HydrophobicContact CB-CB 4.29Å; F496-F517 PolarHBondContact N-O 3.33Å; F496-F517 PolarHBondContact O-N 3.48Å; F496-F517 VanDerWaalsContact O-N 3.1Å; F496-I623 HydrophobicContact CB-CD1 4.45Å; F496-I623 HydrophobicContact CB-CG2 4.35Å; F496-I623 HydrophobicContact CD1-CG2 4.29Å; F496-L628 HydrophobicContact CE1-CD1 3.63Å; F496-L628 HydrophobicContact CZ-CD1 3.85Å; F496-Y644 HydrophobicContact CZ-CD1 4.18Å; F496-S645 WeakPolarHBondContact CD2-O 3.42Å; F496-L646 HydrophobicContact CB-CD1 4.31Å; F496-I668 HydrophobicContact CE2-CB 4.09Å; F496-I668 HydrophobicContact CE2-CG1 4.19Å; F496-I668 HydrophobicContact CE2-CG2 3.91Å; F496-I668 HydrophobicContact CZ-CG2 4.38Å; F496-I670 HydrophobicContact CZ-CD1 4.19Å
497	A	96.6	Very high	93	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.3	-169	0	0	0	0	0	112.9	T495 V513 L514 Y644 S645 I647	T495-A497 HydrophobicContact CG2-CB 4.39Å; A497-V513 HydrophobicContact CB-CG1 3.79Å; A497-L514 CarbonylContact C-O 3.55Å; A497-L514 WeakPolarHBondContact CA-O 3.41Å; A497-L514 WeakPolarHBondContact CB-O 3.36Å; A497-Y644 CarbonylContact O-C 3.59Å; A497-Y644 WeakPolarHBondContact O-CA 3.2Å; A497-S645 PolarHBondContact N-O 2.94Å; A497-S645 PolarHBondContact O-N 2.88Å; A497-I647 HydrophobicContact CB-CD1 4.17Å
498	Q	96.1	Very high	92.6	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.023	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.4	169.9	176.4	177.9	-45.5	0	0	108.5	V500 L514 I516 L642 E643 Y644	Q498-V500 HydrophobicContact CG-CG2 4.08Å; Q498-L514 HydrophobicContact CB-CB 4.26Å; Q498-L514 PolarHBondContact N-O 3.3Å; Q498-L514 PolarHBondContact O-N 3.19Å; Q498-I516 HydrophobicContact CB-CD1 3.94Å; Q498-I516 HydrophobicContact CB-CG1 4.37Å; Q498-L642 HydrophobicContact CG-CD2 4.43Å; Q498-E643 CarbonylContact C-O 3.54Å; Q498-E643 WeakPolarHBondContact CA-O 3.47Å; Q498-Y644 HydrophobicContact CB-CD1 3.83Å; Q498-Y644 HydrophobicContact CB-CE1 3.53Å; Q498-Y644 VanDerWaalsContact CD-OH 3.24Å; Q498-Y644 HydrophobicContact CG-CD1 4.2Å; Q498-Y644 HydrophobicContact CG-CE1 3.57Å; Q498-Y644 PolarHBondContact OE1-OH 3.37Å
499	T	95	Very high	92.3	Very high	12 Å²	12	37.4 Å²	37.4	7%	0.074	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.2	171.1	-49.9	0	0	0	0	109	F501 I511 E512 V513 L642 E643	T499-F501 HydrophobicContact CG2-CD2 3.99Å; T499-F501 HydrophobicContact CG2-CE1 4.19Å; T499-F501 HydrophobicContact CG2-CE2 3.4Å; T499-F501 HydrophobicContact CG2-CZ 3.52Å; T499-I511 HydrophobicContact CG2-CG2 3.77Å; T499-E512 CarbonylContact C-O 3.55Å; T499-E512 WeakPolarHBondContact CA-O 3.3Å; T499-V513 HydrophobicContact CG2-CG2 4.12Å; T499-L642 WeakPolarHBondContact O-CA 3.28Å; T499-E643 PolarHBondContact N-O 3.18Å; T499-E643 PolarHBondContact O-N 2.86Å
500	V	93.7	Very high	92	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.6	179.3	-174.5	0	0	0	0	108.1	L385 Q498 L502 I511 E512 L514 L642	L385-V500 HydrophobicContact CD2-CB 4.29Å; L385-V500 HydrophobicContact CD2-CG1 3.67Å; L385-V500 HydrophobicContact CD2-CG2 3.83Å; Q498-V500 HydrophobicContact CG-CG2 4.08Å; V500-L502 HydrophobicContact CG1-CD2 3.59Å; V500-L502 HydrophobicContact CG1-CG 4.06Å; V500-I511 WeakPolarHBondContact O-CA 3.41Å; V500-E512 PolarHBondContact N-O 2.78Å; V500-E512 PolarHBondContact O-N 2.79Å; V500-L514 HydrophobicContact CG2-CD1 3.94Å; V500-L514 HydrophobicContact CG2-CG 4.37Å; V500-L642 HydrophobicContact CB-CD2 4.24Å; V500-L642 HydrophobicContact CG1-CD2 4.05Å; V500-L642 HydrophobicContact CG2-CD2 3.81Å
501	F	93.7	Very high	91.9	Very high	51 Å²	51	41.7 Å²	41.7	22%	0.224	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.2	175.4	-57.2	-102.1	0	0	0	108.3	T499 I511 I640 Y641 E643	T499-F501 HydrophobicContact CG2-CD2 3.99Å; T499-F501 HydrophobicContact CG2-CE1 4.19Å; T499-F501 HydrophobicContact CG2-CE2 3.4Å; T499-F501 HydrophobicContact CG2-CZ 3.52Å; F501-I511 HydrophobicContact CD1-CB 4.44Å; F501-I511 HydrophobicContact CD1-CD1 3.8Å; F501-I511 HydrophobicContact CD1-CG1 3.8Å; F501-I511 HydrophobicContact CD1-CG2 3.88Å; F501-I511 HydrophobicContact CE1-CD1 3.99Å; F501-I511 HydrophobicContact CE1-CG1 4.36Å; F501-I511 HydrophobicContact CE1-CG2 3.91Å; F501-I511 HydrophobicContact CG-CG2 4.47Å; F501-I640 CarbonylContact O-C 3.6Å; F501-I640 WeakPolarHBondContact O-CA 3.21Å; F501-Y641 HydrophobicContact CB-CD1 4.31Å; F501-Y641 AromaticContact CD2-CD1 3.57Å; F501-Y641 HydrophobicContact CD2-CD1 3.57Å; F501-Y641 HydrophobicContact CD2-CE1 4.18Å; F501-Y641 HydrophobicContact CE2-CD1 4.05Å; F501-Y641 HydrophobicContact CE2-CE1 4.19Å; F501-Y641 HydrophobicContact CG-CD1 4.08Å; F501-Y641 PolarHBondContact N-O 2.95Å; F501-Y641 PolarHBondContact O-N 3.17Å; F501-E643 HydrophobicContact CE2-CB 4.16Å; F501-E643 HydrophobicContact CE2-CG 3.84Å
502	L	93.2	Very high	91.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.4	175.6	-51.1	-176.7	0	0	0	109.6	T55 W57 L390 A394 A396 V500 N509 H510 L639 I640	T55-L502 HydrophobicContact CG2-CB 4.2Å; T55-L502 HydrophobicContact CG2-CD2 4.17Å; W57-L502 HydrophobicContact CE3-CB 4.4Å; W57-L502 HydrophobicContact CE3-CD1 4.42Å; W57-L502 HydrophobicContact CZ3-CB 3.96Å; L390-L502 HydrophobicContact CD1-CD1 4.25Å; A394-L502 HydrophobicContact CB-CD1 4.42Å; A396-L502 HydrophobicContact CB-CD1 4.21Å; A396-L502 HydrophobicContact CB-CD2 3.48Å; A396-L502 VanDerWaalsContact CB-CD2 3.48Å; V500-L502 HydrophobicContact CG1-CD2 3.59Å; V500-L502 HydrophobicContact CG1-CG 4.06Å; L502-N509 CarbonylContact O-C 3.5Å; L502-N509 WeakPolarHBondContact O-CA 3.26Å; L502-H510 HydrophobicContact CB-CB 4.26Å; L502-H510 PolarHBondContact N-O 3.38Å; L502-H510 PolarHBondContact O-N 3.31Å; L502-L639 CarbonylContact C-O 3.43Å; L502-L639 VanDerWaalsContact CA-O 3.3Å; L502-L639 WeakPolarHBondContact CA-O 3.44Å; L502-I640 HydrophobicContact CD2-CB 4.46Å; L502-I640 HydrophobicContact CD2-CG1 4.19Å; L502-I640 HydrophobicContact CD2-CG2 4.07Å
503	K	90.7	Very high	91.4	Very high	73 Å²	73	44.9 Å²	44.9	32%	0.317	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.6	174.1	-175.4	166.4	-177.4	172	0	110.7	T55 N509 L639	T55-K503 PolarHBondContact OG1-O 2.64Å; K503-N509 WeakPolarHBondContact CG-OD1 3.48Å; K503-L639 PolarHBondContact N-O 2.59Å
504	G	86.8	Confident	91.2	Very high	4 Å²	4	42.8 Å²	42.8	4%	0.041	22%	0.218	C	C	.	.			trans	-129.1	172.7	179.1	0	0	0	0	0	113.1	N506 E507 Q508	G504-N506 VanDerWaalsContact C-N 3.27Å; G504-N506 PolarHBondContact O-N 2.87Å; G504-E507 PolarHBondContact O-N 3.28Å; G504-Q508 PolarHBondContact N-O 3.04Å
505	I	77.5	Confident	90.9	Very high	110 Å²	110	48.9 Å²	48.9	56%	0.564	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-46.1	-174.6	-59.7	169.7	0	0	0	112	D254 E507	D254-I505 HydrophobicContact CB-CG1 3.75Å; D254-I505 VanDerWaalsContact OD1-CG1 3.29Å; D254-I505 WeakPolarHBondContact OD1-CG1 3.45Å; I505-E507 PolarHBondContact O-N 2.68Å
506	N	82.5	Confident	90.7	Very high	118 Å²	118	48.1 Å²	48.1	63%	0.631	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	28	-171.7	-61.7	-13.4	0	0	0	113.1	G504 Q508	G504-N506 VanDerWaalsContact C-N 3.27Å; G504-N506 PolarHBondContact O-N 2.87Å; N506-Q508 HydrophobicContact CB-CG 4.27Å; N506-Q508 PolarHBondContact O-N 2.88Å
507	E	82.3	Confident	90.5	Very high	96 Å²	96	51.1 Å²	51.1	45%	0.449	25%	0.249	S	C	.	.	S	Bend	trans	57.5	8.1	-174.6	-50.9	-161.7	140.7	0	0	115.7	K111 G504 I505 N509	K111-E507 IonicContact NZ-OE1 2.74Å; K111-E507 PolarHBondContact NZ-OE1 3.18Å; K111-E507 IonicContact NZ-OE2 3.14Å; G504-E507 PolarHBondContact O-N 3.28Å; I505-E507 PolarHBondContact O-N 2.68Å; E507-N509 PolarHBondContact O-ND2 2.92Å
508	Q	85.5	Confident	90.4	Very high	70 Å²	70	54 Å²	54	33%	0.327	27%	0.273	S	S	.	.			trans	-59.4	134.9	167.3	-66.9	176.2	-24.8	0	0	109.9	W57 H252 G504 N506	W57-Q508 HydrophobicContact CZ2-CB 4.05Å; H252-Q508 PolarHBondContact ND1-NE2 2.88Å; H252-Q508 PolarHBondContact ND1-OE1 3.18Å; G504-Q508 PolarHBondContact N-O 3.04Å; N506-Q508 HydrophobicContact CB-CG 4.27Å; N506-Q508 PolarHBondContact O-N 2.88Å
509	N	89.9	Confident	90.3	Very high	104 Å²	104	55.2 Å²	55.2	56%	0.556	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	130.5	178.2	-47.6	-77.4	0	0	0	109	L502 K503 E507	L502-N509 CarbonylContact O-C 3.5Å; L502-N509 WeakPolarHBondContact O-CA 3.26Å; K503-N509 WeakPolarHBondContact CG-OD1 3.48Å; E507-N509 PolarHBondContact O-ND2 2.92Å
510	H	89.9	Confident	90.3	Very high	32 Å²	32	59.4 Å²	59.4	15%	0.148	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.2	173	-179	-81.4	0	0	0	108.1	W57 L502 E512	W57-H510 HydrophobicContact CD2-CB 4.04Å; W57-H510 HydrophobicContact CE3-CB 4.12Å; W57-H510 HydrophobicContact CG-CB 4.46Å; W57-H510 HydrophobicContact CZ3-CB 4.42Å; L502-H510 HydrophobicContact CB-CB 4.26Å; L502-H510 PolarHBondContact N-O 3.38Å; L502-H510 PolarHBondContact O-N 3.31Å; H510-E512 IonicContact CE1-OE2 2.66Å; H510-E512 PolarHBondContact CE1-OE2 2.91Å
511	I	92.4	Very high	90.4	Very high	101 Å²	101	59.7 Å²	59.7	52%	0.518	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.3	-177.5	-52.9	176.7	0	0	0	108.3	T499 V500 F501	T499-I511 HydrophobicContact CG2-CG2 3.77Å; V500-I511 WeakPolarHBondContact O-CA 3.41Å; F501-I511 HydrophobicContact CD1-CB 4.44Å; F501-I511 HydrophobicContact CD1-CD1 3.8Å; F501-I511 HydrophobicContact CD1-CG1 3.8Å; F501-I511 HydrophobicContact CD1-CG2 3.88Å; F501-I511 HydrophobicContact CE1-CD1 3.99Å; F501-I511 HydrophobicContact CE1-CG1 4.36Å; F501-I511 HydrophobicContact CE1-CG2 3.91Å; F501-I511 HydrophobicContact CG-CG2 4.47Å
512	E	91.3	Very high	90.5	Very high	18 Å²	18	63.3 Å²	63.3	8%	0.084	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.7	179.1	-174.3	149.6	-171.1	0	0	112	L390 A391 T499 V500 H510 L514	L390-E512 WeakPolarHBondContact CA-OE2 3.46Å; L390-E512 VanDerWaalsContact CB-OE2 3.23Å; L390-E512 WeakPolarHBondContact CB-OE2 3.5Å; L390-E512 HydrophobicContact CD2-CB 3.92Å; L390-E512 HydrophobicContact CD2-CG 3.75Å; L390-E512 WeakPolarHBondContact CD2-OE2 3.32Å; A391-E512 WeakPolarHBondContact CB-OE1 3.45Å; A391-E512 VanDerWaalsContact N-CD 3.29Å; A391-E512 PolarHBondContact N-OE1 3.01Å; A391-E512 PolarHBondContact N-OE2 2.92Å; T499-E512 CarbonylContact C-O 3.55Å; T499-E512 WeakPolarHBondContact CA-O 3.3Å; V500-E512 PolarHBondContact N-O 2.78Å; V500-E512 PolarHBondContact O-N 2.79Å; H510-E512 IonicContact CE1-OE2 2.66Å; H510-E512 PolarHBondContact CE1-OE2 2.91Å; E512-L514 HydrophobicContact CG-CD2 4.39Å
513	V	93.1	Very high	90.5	Very high	63 Å²	63	65.5 Å²	65.5	38%	0.382	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	91.9	-177	-177	0	0	0	0	109.1	A497 T499 R515	A497-V513 HydrophobicContact CB-CG1 3.79Å; T499-V513 HydrophobicContact CG2-CG2 4.12Å; V513-R515 PolarHBondContact O-N 3.43Å
514	L	92.1	Very high	90.5	Very high	18 Å²	18	66.1 Å²	66.1	9%	0.094	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.7	174.9	-59.9	177.1	0	0	0	109.4	L385 C389 L390 A497 Q498 V500 E512 I516	L385-L514 HydrophobicContact CD1-CD1 4.09Å; C389-L514 WeakPolarHBondContact O-CD2 3.11Å; L390-L514 HydrophobicContact CD2-CD1 4.41Å; L390-L514 HydrophobicContact CD2-CD2 3.89Å; L390-L514 HydrophobicContact CD2-CG 4.33Å; A497-L514 CarbonylContact C-O 3.55Å; A497-L514 WeakPolarHBondContact CA-O 3.41Å; A497-L514 WeakPolarHBondContact CB-O 3.36Å; Q498-L514 HydrophobicContact CB-CB 4.26Å; Q498-L514 PolarHBondContact N-O 3.3Å; Q498-L514 PolarHBondContact O-N 3.19Å; V500-L514 HydrophobicContact CG2-CD1 3.94Å; V500-L514 HydrophobicContact CG2-CG 4.37Å; E512-L514 HydrophobicContact CG-CD2 4.39Å; L514-I516 PolarHBondContact O-N 2.92Å
515	R	92.7	Very high	90.1	Very high	127 Å²	127	70.9 Å²	70.9	48%	0.479	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	118.7	169.6	-62.6	-175.3	-174.8	161.7	2.2	108.6	T495 V513	T495-R515 HydrophobicContact CG2-CB 4.36Å; T495-R515 HydrophobicContact CG2-CG 3.93Å; V513-R515 PolarHBondContact O-N 3.43Å
516	I	93	Very high	89.7	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.036	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-50.4	171.2	-61.4	155.5	0	0	0	108.2	F496 Q498 L514 P626 L628 Y644 F693	F496-I516 HydrophobicContact CD1-CB 3.99Å; F496-I516 HydrophobicContact CD1-CD1 3.89Å; F496-I516 HydrophobicContact CD1-CG2 3.92Å; F496-I516 HydrophobicContact CE1-CB 4.46Å; F496-I516 HydrophobicContact CE1-CD1 3.69Å; F496-I516 HydrophobicContact CE1-CG2 4.2Å; F496-I516 HydrophobicContact CG-CD1 4.42Å; F496-I516 HydrophobicContact CZ-CD1 4.03Å; F496-I516 WeakPolarHBondContact O-CB 3.48Å; F496-I516 PolarHBondContact O-N 3.48Å; Q498-I516 HydrophobicContact CB-CD1 3.94Å; Q498-I516 HydrophobicContact CB-CG1 4.37Å; L514-I516 PolarHBondContact O-N 2.92Å; I516-P626 HydrophobicContact CG2-CG 3.46Å; I516-P626 VanDerWaalsContact CG2-CG 3.46Å; I516-L628 HydrophobicContact CD1-CD1 3.65Å; I516-L628 HydrophobicContact CD1-CD2 3.91Å; I516-L628 HydrophobicContact CD1-CG 4.45Å; I516-L628 HydrophobicContact CG1-CD2 4.17Å; I516-Y644 HydrophobicContact CD1-CD1 3.76Å; I516-Y644 HydrophobicContact CD1-CE1 3.95Å; I516-F693 HydrophobicContact CG2-CE1 4.08Å; I516-F693 HydrophobicContact CG2-CE2 4.29Å; I516-F693 HydrophobicContact CG2-CZ 3.67Å; I516-F693 WeakPolarHBondContact O-CZ 3.4Å
517	F	92.6	Very high	88.6	Confident	63 Å²	63	72 Å²	72	28%	0.276	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.3	-179.1	167.3	-92.4	0	0	0	109.8	T495 F496 T519 I623	T495-F517 CarbonylContact C-O 3.58Å; T495-F517 WeakPolarHBondContact CA-O 3.49Å; F496-F517 HydrophobicContact CB-CB 4.29Å; F496-F517 PolarHBondContact N-O 3.33Å; F496-F517 PolarHBondContact O-N 3.48Å; F496-F517 VanDerWaalsContact O-N 3.1Å; F517-T519 HydrophobicContact CD1-CG2 4.43Å; F517-T519 HydrophobicContact CE1-CG2 3.42Å; F517-T519 VanDerWaalsContact CE1-CG2 3.42Å; F517-T519 HydrophobicContact CZ-CG2 3.79Å; F517-I623 HydrophobicContact CB-CG2 4.23Å; F517-I623 HydrophobicContact CD1-CB 4.49Å; F517-I623 HydrophobicContact CD1-CD1 3.74Å; F517-I623 HydrophobicContact CD1-CG1 3.9Å; F517-I623 HydrophobicContact CD1-CG2 3.84Å; F517-I623 HydrophobicContact CE1-CB 4.49Å; F517-I623 HydrophobicContact CE1-CD1 3.69Å; F517-I623 HydrophobicContact CE1-CG1 3.58Å; F517-I623 HydrophobicContact CE1-CG2 4.3Å; F517-I623 HydrophobicContact CG-CG2 4.01Å; F517-I623 HydrophobicContact CZ-CG1 4.23Å
518	A	94.1	Very high	87.2	Confident	61 Å²	61	73.4 Å²	73.4	50%	0.504	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	124.6	176.1	0	0	0	0	0	111	L494 T495	L494-A518 WeakPolarHBondContact O-CA 3.36Å; T495-A518 HydrophobicContact CG2-CB 4.34Å
519	T	94.5	Very high	85.5	Confident	30 Å²	30	72.7 Å²	72.7	18%	0.184	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.3	-176.2	179.8	0	0	0	0	110.7	H493 L494 F517 L521 D621	H493-T519 WeakPolarHBondContact CA-O 3.26Å; H493-T519 PolarHBondContact ND1-O 3.04Å; L494-T519 HydrophobicContact CB-CG2 3.69Å; L494-T519 PolarHBondContact N-O 3.42Å; L494-T519 VanDerWaalsContact N-O 3.07Å; L494-T519 PolarHBondContact O-N 2.98Å; F517-T519 HydrophobicContact CD1-CG2 4.43Å; F517-T519 HydrophobicContact CE1-CG2 3.42Å; F517-T519 VanDerWaalsContact CE1-CG2 3.42Å; F517-T519 HydrophobicContact CZ-CG2 3.79Å; T519-L521 HydrophobicContact CG2-CD2 3.71Å; T519-D621 WeakPolarHBondContact CG2-OD2 3.26Å; T519-D621 PolarHBondContact OG1-OD2 2.81Å
520	R	95.7	Very high	83.4	Confident	99 Å²	99	78.1 Å²	78.1	37%	0.374	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.4	163.2	179.7	-176.6	173.8	-177.8	1.4	107.1	Q490 V492 N522 I607	Q490-R520 PolarHBondContact O-NH2 2.77Å; V492-R520 CarbonylContact O-C 3.42Å; V492-R520 WeakPolarHBondContact O-CA 3.32Å; R520-N522 PolarHBondContact O-N 2.83Å; R520-I607 PolarHBondContact NH2-O 3.38Å
521	L	96.1	Very high	81.7	Confident	6 Å²	6	81.2 Å²	81.2	3%	0.031	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-66.5	130.9	-179.4	-57.8	-174.1	0	0	0	110.2	V479 V492 L494 T519 F619 D621 L648	V479-L521 HydrophobicContact CB-CD1 4.41Å; V479-L521 HydrophobicContact CG2-CD1 3.71Å; V492-L521 HydrophobicContact CB-CB 4.37Å; V492-L521 HydrophobicContact CG1-CB 4.18Å; V492-L521 HydrophobicContact CG1-CD1 3.94Å; V492-L521 HydrophobicContact CG1-CG 4.32Å; V492-L521 PolarHBondContact O-N 2.95Å; L494-L521 HydrophobicContact CB-CD1 4.08Å; L494-L521 HydrophobicContact CB-CD2 4.03Å; L494-L521 HydrophobicContact CB-CG 4.01Å; L494-L521 HydrophobicContact CD2-CD1 4.35Å; L494-L521 HydrophobicContact CD2-CD2 4.21Å; T519-L521 HydrophobicContact CG2-CD2 3.71Å; L521-F619 HydrophobicContact CB-CB 4.01Å; L521-F619 HydrophobicContact CB-CD1 3.5Å; L521-F619 VanDerWaalsContact CB-CD1 3.5Å; L521-F619 HydrophobicContact CB-CE1 4.25Å; L521-F619 HydrophobicContact CB-CG 4Å; L521-F619 HydrophobicContact CD1-CB 3.81Å; L521-F619 HydrophobicContact CD1-CG 4.27Å; L521-F619 HydrophobicContact CG-CB 4.49Å; L521-D621 HydrophobicContact CD2-CB 3.81Å; L521-D621 WeakPolarHBondContact CD2-OD2 3.46Å; L521-L648 HydrophobicContact CD1-CD1 4.29Å
522	N	94.3	Very high	79.9	Confident	127 Å²	127	80.2 Å²	80.2	68%	0.679	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-94	130.4	172.2	-66.1	-70.1	0	0	0	108.6	R520 Q524 F619	R520-N522 PolarHBondContact O-N 2.83Å; N522-Q524 PolarHBondContact O-N 3.08Å; N522-F619 VanDerWaalsContact C-CD1 3.47Å; N522-F619 WeakPolarHBondContact O-CD1 3.16Å
523	A	93.9	Very high	78	Confident	49 Å²	49	85.2 Å²	85.2	41%	0.405	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-62.2	127.8	178.4	0	0	0	0	0	109.6	S525 A617 F619	A523-S525 PolarHBondContact O-N 3.48Å; A523-A617 HydrophobicContact CB-CB 4.05Å; A523-F619 VanDerWaalsContact CA-CE1 3.48Å; A523-F619 HydrophobicContact CB-CD1 4.28Å; A523-F619 HydrophobicContact CB-CE1 3.72Å; A523-F619 HydrophobicContact CB-CZ 4.08Å
524	Q	90.8	Very high	76.1	Confident	86 Å²	86	89.3 Å²	89.3	40%	0.402	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-64.6	133.5	168.6	-67.5	-163.5	-21.3	0	0	108.6	N522 T526 Y618	N522-Q524 PolarHBondContact O-N 3.08Å; Q524-T526 PolarHBondContact O-N 3.1Å; Q524-Y618 HydrophobicContact CB-CD1 4.46Å; Q524-Y618 HydrophobicContact CG-CD1 4.43Å; Q524-Y618 PolarHBondContact N-O 3Å
525	S	78.9	Confident	74.1	Confident	104 Å²	104	96.2 Å²	96.2	73%	0.727	51%	0.512	S	S	*	.			trans	-64.9	102.1	174.8	55.9	0	0	0	0	109.2	A523 L527	A523-S525 PolarHBondContact O-N 3.48Å; S525-L527 PolarHBondContact O-N 3.35Å
526	T	68.2	Low	72.2	Confident	102 Å²	102	93.3 Å²	93.3	63%	0.626	51%	0.505	S	S	*	.			trans	-66.8	83.4	172.4	53.6	0	0	0	0	108.8	Q524 S528	Q524-T526 PolarHBondContact O-N 3.1Å; T526-S528 PolarHBondContact O-N 3.4Å
527	L	60.2	Low	70.1	Confident	148 Å²	148	95.6 Å²	95.6	78%	0.775	52%	0.518	S	S	*	.			trans	-50.7	125.1	164.5	-119	69.8	0	0	0	106.5	S525 G529	S525-L527 PolarHBondContact O-N 3.35Å; L527-G529 PolarHBondContact O-N 3.39Å
528	S	52	Low	68.3	Low	127 Å²	127	96.6 Å²	96.6	89%	0.888	53%	0.525	S	S	*	.	S	Bend	trans	-70.7	81.7	-170	58.7	0	0	0	0	110.9	T526	T526-S528 PolarHBondContact O-N 3.4Å
529	G	49.5	Very low	66	Low	55 Å²	55	100.8 Å²	100.8	57%	0.567	54%	0.539	S	S	*	.			trans	-159.8	119.4	-173.4	0	0	0	0	0	108.9	L527	L527-G529 PolarHBondContact O-N 3.39Å
530	Y	47	Very low	63.7	Low	218 Å²	218	106.7 Å²	106.7	86%	0.855	56%	0.562	S	S	*	*	S	Bend	trans	-67.3	156.4	-165.6	-48.2	-89.3	0	0	0	113.3
531	N	53.9	Low	61.3	Low	96 Å²	96	107.3 Å²	107.3	51%	0.513	57%	0.571	S	S	.	*			trans	77.1	37.2	164.4	-57.3	13.4	0	0	0	119	F533 E534 Q535	N531-F533 PolarHBondContact O-N 3Å; N531-E534 HydrophobicContact CB-CB 4.25Å; N531-E534 HydrophobicContact CB-CG 4.26Å; N531-E534 PolarHBondContact ND2-OE2 3.41Å; N531-E534 PolarHBondContact O-N 2.93Å; N531-E534 VanDerWaalsContact O-N 3.07Å; N531-Q535 PolarHBondContact O-N 3.26Å
532	L	54.6	Low	58.2	Low	81 Å²	81	111.7 Å²	111.7	42%	0.424	60%	0.6	S	S	.	*	H	α-helix	trans	-52.8	-36.3	169.5	-160.8	80.6	0	0	0	113.2	E534 Q535 L536 Y618	L532-E534 PolarHBondContact O-N 2.77Å; L532-Q535 PolarHBondContact O-N 3.08Å; L532-L536 HydrophobicContact CD2-CD1 4.1Å; L532-L536 HydrophobicContact CG-CD1 4.04Å; L532-L536 HydrophobicContact CG-CG 4.37Å; L532-L536 WeakPolarHBondContact O-CG 3.24Å; L532-L536 PolarHBondContact O-N 2.96Å; L532-Y618 HydrophobicContact CD2-CD1 4.06Å; L532-Y618 HydrophobicContact CD2-CE1 4.06Å
533	F	50.6	Low	55.6	Low	122 Å²	122	109.9 Å²	109.9	54%	0.535	60%	0.597	S	S	.	*	H	α-helix	trans	-70.5	-23	178.7	-81.1	-75.9	0	0	0	114.9	N531 Y618	N531-F533 PolarHBondContact O-N 3Å; F533-Y618 HydrophobicContact CE1-CE2 4.3Å; F533-Y618 HydrophobicContact CE2-CE2 4.47Å; F533-Y618 HydrophobicContact CZ-CD2 4.18Å; F533-Y618 AromaticContact CZ-CE2 3.78Å; F533-Y618 HydrophobicContact CZ-CE2 3.78Å
534	E	52.8	Low	53	Low	149 Å²	149	113.4 Å²	113.4	70%	0.696	61%	0.614	S	S	*	*	H	α-helix	trans	-85.1	-25.2	170.6	-64.3	-173.1	143.1	0	0	111.7	N531 L532	N531-E534 HydrophobicContact CB-CB 4.25Å; N531-E534 HydrophobicContact CB-CG 4.26Å; N531-E534 PolarHBondContact ND2-OE2 3.41Å; N531-E534 PolarHBondContact O-N 2.93Å; N531-E534 VanDerWaalsContact O-N 3.07Å; L532-E534 PolarHBondContact O-N 2.77Å
535	Q	49.9	Very low	50.2	Low	164 Å²	164	116.5 Å²	116.5	77%	0.766	63%	0.626	S	S	*	*	H	α-helix	trans	-88.9	-24.8	-175.2	-152.9	165.1	49.7	0	0	112.6	N531 L532 D537	N531-Q535 PolarHBondContact O-N 3.26Å; L532-Q535 PolarHBondContact O-N 3.08Å; Q535-D537 PolarHBondContact O-N 3.18Å
536	L	53.2	Low	47.8	Very low	66 Å²	66	116.3 Å²	116.3	35%	0.346	63%	0.625	S	S	.	*			trans	-79.5	57.8	166.9	-68.8	174.8	0	0	0	111.6	L532 I538	L532-L536 HydrophobicContact CD2-CD1 4.1Å; L532-L536 HydrophobicContact CG-CD1 4.04Å; L532-L536 HydrophobicContact CG-CG 4.37Å; L532-L536 WeakPolarHBondContact O-CG 3.24Å; L532-L536 PolarHBondContact O-N 2.96Å; L536-I538 VanDerWaalsContact C-N 3.35Å; L536-I538 PolarHBondContact O-N 3Å
537	D	49.7	Very low	45.9	Very low	55 Å²	55	117 Å²	117	29%	0.294	63%	0.631	S	S	.	*			trans	-67.5	95.6	163.9	-177.4	3.2	0	0	0	108.2	Q535 N539 K540	Q535-D537 PolarHBondContact O-N 3.18Å; D537-N539 PolarHBondContact O-N 3.36Å; D537-N539 PolarHBondContact OD1-N 3.08Å; D537-N539 PolarHBondContact OD1-ND2 3.02Å; D537-K540 HydrophobicContact CB-CG 4.49Å; D537-K540 PolarHBondContact O-N 2.99Å; D537-K540 IonicContact OD2-NZ 2.59Å; D537-K540 PolarHBondContact OD2-NZ 3.42Å
538	I	53.8	Low	44.4	Very low	83 Å²	83	113.9 Å²	113.9	43%	0.426	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-55.8	-27.5	-171.9	-61.9	177	0	0	0	111.5	L536 K540	L536-I538 VanDerWaalsContact C-N 3.35Å; L536-I538 PolarHBondContact O-N 3Å; I538-K540 PolarHBondContact O-N 3.4Å; I538-K540 VanDerWaalsContact O-N 3.16Å
539	N	46.1	Very low	43.3	Very low	149 Å²	149	115 Å²	115	80%	0.797	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-71.4	-2.4	176.5	-48.4	-66.1	0	0	0	113.9	D537	D537-N539 PolarHBondContact O-N 3.36Å; D537-N539 PolarHBondContact OD1-N 3.08Å; D537-N539 PolarHBondContact OD1-ND2 3.02Å
540	K	46.3	Very low	42.2	Very low	155 Å²	155	117.9 Å²	117.9	67%	0.674	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-120.7	27.3	179.9	-65.8	-161.9	-177.1	81.2	0	114.1	D537 I538 P542	D537-K540 HydrophobicContact CB-CG 4.49Å; D537-K540 PolarHBondContact O-N 2.99Å; D537-K540 IonicContact OD2-NZ 2.59Å; D537-K540 PolarHBondContact OD2-NZ 3.42Å; I538-K540 PolarHBondContact O-N 3.4Å; I538-K540 VanDerWaalsContact O-N 3.16Å; K540-P542 WeakPolarHBondContact O-CD 3.15Å
541	I	44.9	Very low	41.5	Very low	112 Å²	112	117.6 Å²	117.6	57%	0.574	63%	0.633	S	S	*	*			trans	-106.8	74.9	170.7	-48.5	-179.8	0	0	0	110.6
542	P	32.6	Very low	40.3	Very low	98 Å²	98	116.9 Å²	116.9	64%	0.636	64%	0.635	S	S	*	*			trans	-76.2	145.3	171.1	33.2	-34.7	0	0	0	111.5	K540	K540-P542 WeakPolarHBondContact O-CD 3.15Å
543	S	38.9	Very low	39.4	Very low	88 Å²	88	116.1 Å²	116.1	62%	0.615	64%	0.637	S	S	*	*			trans	47.7	90.5	158	61.4	0	0	0	0	117.9
544	V	39.5	Very low	38.5	Very low	124 Å²	124	120.8 Å²	120.8	75%	0.752	65%	0.651	S	S	*	*			trans	-124.5	21	157.4	-155.6	0	0	0	0	111.6
545	F	31	Very low	37.6	Very low	150 Å²	150	118 Å²	118	66%	0.658	65%	0.648	S	S	*	*			trans	-101.6	92.4	176.2	-72	-73.9	0	0	0	111.1
546	S	30	Very low	36.9	Very low	101 Å²	101	116 Å²	116	71%	0.706	65%	0.652	S	S	*	*			trans	-99.8	122.6	166.8	-68.2	0	0	0	0	109.3	S548	S546-S548 VanDerWaalsContact C-N 3.3Å; S546-S548 PolarHBondContact O-N 3.14Å
547	P	28.3	Very low	36.1	Very low	115 Å²	115	117.5 Å²	117.5	75%	0.747	66%	0.664	S	S	*	*	S	Bend	trans	-79.2	73.1	-176.4	32.3	-36.1	0	0	0	111.9	P725	P547-P725 HydrophobicContact CG-CB 4.19Å
548	S	28.2	Very low	35.4	Very low	83 Å²	83	120.2 Å²	120.2	58%	0.58	68%	0.679	S	S	*	*			trans	-160.2	145.3	167.2	44.8	0	0	0	0	112.6	S546	S546-S548 VanDerWaalsContact C-N 3.3Å; S546-S548 PolarHBondContact O-N 3.14Å
549	N	28.2	Very low	34.6	Very low	151 Å²	151	126.2 Å²	126.2	81%	0.807	70%	0.696	S	S	*	*	S	Bend	trans	76.1	127.4	-173.1	-45.4	-68.1	0	0	0	114.5	F551	N549-F551 PolarHBondContact O-N 3.1Å
550	S	27.5	Very low	34.3	Very low	116 Å²	116	126.6 Å²	126.6	81%	0.811	69%	0.69	S	S	*	*			trans	-63.9	124.3	174.6	37	0	0	0	0	111.2	S552	S550-S552 PolarHBondContact O-N 2.97Å
551	F	31.7	Very low	34.3	Very low	211 Å²	211	124.5 Å²	124.5	93%	0.925	68%	0.683	S	S	*	*			trans	-76.5	70	169.1	-98	-90.4	0	0	0	110.4	N549 S553	N549-F551 PolarHBondContact O-N 3.1Å; F551-S553 PolarHBondContact O-N 3.24Å
552	S	29.1	Very low	34.1	Very low	82 Å²	82	128.8 Å²	128.8	57%	0.573	69%	0.692	S	S	*	*			trans	-53.7	127.4	159.9	168.9	0	0	0	0	108.6	S550 R554	S550-S552 PolarHBondContact O-N 2.97Å; S552-R554 PolarHBondContact O-N 2.74Å
553	S	34.2	Very low	34.8	Very low	64 Å²	64	128.9 Å²	128.9	45%	0.448	69%	0.686	S	S	.	*			trans	-67.2	69.8	-175.5	39.2	0	0	0	0	111.8	F551 S555 D699	F551-S553 PolarHBondContact O-N 3.24Å; S553-S555 PolarHBondContact O-N 3.5Å; S553-D699 WeakPolarHBondContact CB-OD1 3.45Å; S553-D699 PolarHBondContact OG-OD1 2.82Å; S553-D699 PolarHBondContact OG-OD2 2.87Å
554	R	32.3	Very low	35	Very low	220 Å²	220	130.8 Å²	130.8	83%	0.83	69%	0.685	S	S	*	*			trans	-69.2	54.5	-177.7	-85.2	-172.3	162.5	-177.4	-0.2	114.6	S552	S552-R554 PolarHBondContact O-N 2.74Å
555	S	33.5	Very low	35.4	Very low	91 Å²	91	131.7 Å²	131.7	64%	0.636	68%	0.682	S	S	*	*			trans	-54.1	149.8	140.4	73.1	0	0	0	0	109.4	S553 T557	S553-S555 PolarHBondContact O-N 3.5Å; S555-T557 PolarHBondContact O-N 3.43Å
556	S	36.4	Very low	36.1	Very low	121 Å²	121	132 Å²	132	85%	0.846	69%	0.685	S	S	*	*	S	Bend	trans	-87.5	76.6	-157.4	63.2	0	0	0	0	114.6
557	T	36.4	Very low	37	Very low	99 Å²	99	134 Å²	134	61%	0.607	68%	0.683	S	S	*	*			trans	-98.3	-49.2	174	47.1	0	0	0	0	113.5	S555 R559	S555-T557 PolarHBondContact O-N 3.43Å; T557-R559 PolarHBondContact O-N 2.98Å
558	N	34.8	Very low	37.9	Very low	112 Å²	112	135.7 Å²	135.7	60%	0.599	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	53.5	-174.7	-65	51.7	0	0	0	114.8	E561	N558-E561 PolarHBondContact ND2-OE2 2.98Å
559	R	37.7	Very low	38.7	Very low	209 Å²	209	140 Å²	140	79%	0.789	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-11.4	170.4	-153.3	175.7	-172.1	176.5	4.6	113.7	T557	T557-R559 PolarHBondContact O-N 2.98Å
560	F	39.8	Very low	39.4	Very low	156 Å²	156	141.2 Å²	141.2	68%	0.684	69%	0.693	S	S	*	*	S	Bend	trans	-82.9	-50.2	-177.2	-89.8	-93.6	0	0	0	114	R562 I563	F560-R562 VanDerWaalsContact C-N 3.26Å; F560-R562 PolarHBondContact O-N 2.82Å; F560-I563 WeakPolarHBondContact O-CB 3.38Å; F560-I563 PolarHBondContact O-N 2.84Å
561	E	44.9	Very low	39.7	Very low	111 Å²	111	145.3 Å²	145.3	52%	0.519	70%	0.696	S	S	.	*	H	α-helix	trans	-52	-38.5	-173.6	-59.9	172.6	95	0	0	114.3	N558 I563 E564 Q565	N558-E561 PolarHBondContact ND2-OE2 2.98Å; E561-I563 PolarHBondContact O-N 3.1Å; E561-E564 PolarHBondContact O-N 2.9Å; E561-Q565 PolarHBondContact O-N 2.68Å
562	R	41.1	Very low	40	Very low	202 Å²	202	141.2 Å²	141.2	76%	0.762	69%	0.688	S	S	*	*	H	α-helix	trans	-67.5	-15.8	179.8	-78.4	-171.5	174.6	-173.2	-1.5	114.6	F560	F560-R562 VanDerWaalsContact C-N 3.26Å; F560-R562 PolarHBondContact O-N 2.82Å
563	I	46.9	Very low	40.6	Very low	101 Å²	101	145.3 Å²	145.3	52%	0.518	70%	0.698	S	S	.	*	H	α-helix	trans	-87	-23.4	178	-62.4	175.6	0	0	0	110.8	F560 E561 Q567	F560-I563 WeakPolarHBondContact O-CB 3.38Å; F560-I563 PolarHBondContact O-N 2.84Å; E561-I563 PolarHBondContact O-N 3.1Å; I563-Q567 PolarHBondContact O-NE2 2.85Å
564	E	44.3	Very low	40.9	Very low	127 Å²	127	154.3 Å²	154.3	59%	0.593	72%	0.722	S	S	*	*	H	α-helix	trans	-83.9	-47.3	-177.2	-169.9	154.8	-146.8	0	0	112	E561 Q566 Q567	E561-E564 PolarHBondContact O-N 2.9Å; E564-Q566 PolarHBondContact O-N 2.84Å; E564-Q566 VanDerWaalsContact O-N 3.07Å; E564-Q567 PolarHBondContact O-N 3.47Å
565	Q	47	Very low	41.6	Very low	144 Å²	144	151.4 Å²	151.4	67%	0.673	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-19.9	177.8	-66.1	-175.9	-4	0	0	113.9	E561	E561-Q565 PolarHBondContact O-N 2.68Å
566	Q	46.1	Very low	41.9	Very low	157 Å²	157	153.5 Å²	153.5	73%	0.734	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-10.3	175.1	-68.3	-165.5	-5.9	0	0	114.6	E564	E564-Q566 PolarHBondContact O-N 2.84Å; E564-Q566 VanDerWaalsContact O-N 3.07Å
567	Q	48.9	Very low	42.2	Very low	142 Å²	142	154.5 Å²	154.5	66%	0.664	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-14.9	-177.9	-73.5	179.9	86.1	0	0	114.1	I563 E564	I563-Q567 PolarHBondContact O-NE2 2.85Å; E564-Q567 PolarHBondContact O-N 3.47Å
568	Q	47.3	Very low	42.6	Very low	150 Å²	150	154.9 Å²	154.9	70%	0.701	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-9.8	-177.3	-63.1	-173.6	-0.3	0	0	114.8
569	Q	44.4	Very low	43	Very low	174 Å²	174	156.3 Å²	156.3	81%	0.813	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	13.8	-173.3	-62.8	-167.9	2.6	0	0	116.2
570	Q	42.5	Very low	43.4	Very low	177 Å²	177	151.8 Å²	151.8	83%	0.827	73%	0.728	S	S	*	*			trans	-125.7	62.4	-179.9	-64.6	-169.3	24	0	0	113.4
571	K	35.6	Very low	43.6	Very low	201 Å²	201	152.4 Å²	152.4	87%	0.874	73%	0.73	S	S	*	*			trans	-148.4	34.2	-176.9	-136.5	173.5	-174.7	178.4	0	118
572	T	37.7	Very low	43.7	Very low	125 Å²	125	153.8 Å²	153.8	77%	0.767	74%	0.741	S	S	*	*			trans	-131.8	151.5	170.6	47.8	0	0	0	0	113.7
573	H	41.3	Very low	44	Very low	168 Å²	168	149.7 Å²	149.7	78%	0.778	73%	0.734	S	S	*	*			trans	57.3	101	171.4	-56.3	-57.5	0	0	0	119.9
574	R	41.2	Very low	43.9	Very low	253 Å²	253	153.3 Å²	153.3	96%	0.955	75%	0.746	S	S	*	*				-158.1	142.3	104.3	-106.8	169.7	-175.8	-168.6	0.2	112.2
575	H	45.2	Very low	44	Very low	159 Å²	159	154.9 Å²	154.9	74%	0.736	75%	0.754	S	S	*	*			trans	-96.4	153	-176.8	-98	-68.7	0	0	0	112.4
576	N	41.2	Very low	44	Very low	135 Å²	135	154.2 Å²	154.2	72%	0.722	75%	0.753	S	S	*	*			trans	49.1	136.6	143.1	-48.1	-5.3	0	0	0	117.9
577	N	43	Very low	43.9	Very low	143 Å²	143	155.6 Å²	155.6	77%	0.765	76%	0.757	S	S	*	*				-166.3	118.5	56.1	-154.7	16.6	0	0	0	114.7
578	V	43.7	Very low	43.4	Very low	106 Å²	106	153.7 Å²	153.7	64%	0.642	76%	0.759	S	S	*	*			trans	31.6	123.5	133.6	-173.9	0	0	0	0	122.1
579	N	43.3	Very low	43.2	Very low	143 Å²	143	155.4 Å²	155.4	77%	0.765	77%	0.767	S	S	*	*			trans	67.5	156.3	155	-66.8	-21.6	0	0	0	118.9
580	S	47.1	Very low	43.1	Very low	113 Å²	113	153 Å²	153	79%	0.79	77%	0.77	S	S	*	*			cis	-140.1	176.7	17.5	-162.7	0	0	0	0	115
581	K	43.1	Very low	42.9	Very low	169 Å²	169	153.7 Å²	153.7	74%	0.735	77%	0.77	S	S	*	*			trans	-91	152.3	-170.4	-50.2	163.7	-176.1	173	0	112.8
582	N	46.9	Very low	43.4	Very low	141 Å²	141	152.8 Å²	152.8	75%	0.754	77%	0.769	S	S	*	*				171.8	146.4	104.2	-90.4	-35.3	0	0	0	117
583	N	47.6	Very low	43.6	Very low	115 Å²	115	156.6 Å²	156.6	62%	0.615	77%	0.774	S	S	*	*			trans	61	119.2	149	-81.6	-35.3	0	0	0	122.8
584	K	43.7	Very low	43.9	Very low	177 Å²	177	157.7 Å²	157.7	77%	0.77	78%	0.779	S	S	*	*				58	139.8	119.5	-64.7	174.4	-171.8	173.1	0	118.7
585	Q	47	Very low	44.2	Very low	161 Å²	161	157.6 Å²	157.6	75%	0.752	78%	0.779	S	S	*	*			cis	-163.6	170	23.2	-137.2	178.3	-19.1	0	0	112.3
586	I	47.6	Very low	44.6	Very low	129 Å²	129	159.1 Å²	159.1	66%	0.662	79%	0.787	S	S	*	*			trans	78.5	108.5	150.4	-72.6	160.7	0	0	0	120
587	K	42.7	Very low	44.9	Very low	187 Å²	187	162.4 Å²	162.4	81%	0.813	79%	0.794	S	S	*	*			trans	68.8	108.1	138.9	-68.3	-176.9	-177.1	-177.1	0	122.8
588	S	39.6	Very low	45.2	Very low	102 Å²	102	163.1 Å²	163.1	71%	0.713	80%	0.798	S	S	*	*				54.8	108.8	129.2	64	0	0	0	0	121.2
589	Q	43.6	Very low	45.5	Very low	185 Å²	185	169 Å²	169	86%	0.864	81%	0.81	S	S	*	*				-173.5	159.9	102.4	-98.1	175.5	8.8	0	0	111.3
590	S	41.9	Very low	45.8	Very low	124 Å²	124	171.2 Å²	171.2	87%	0.867	81%	0.813	S	S	*	*			trans	63.8	131.8	178.2	76.2	0	0	0	0	118.2
591	K	38.8	Very low	46	Very low	191 Å²	191	171.8 Å²	171.8	83%	0.83	81%	0.807	S	S	*	*			trans	-145.7	163.7	165.4	-94.3	-168.9	174	-174.6	0	108.8
592	H	44.7	Very low	46.2	Very low	183 Å²	183	168.8 Å²	168.8	85%	0.847	81%	0.807	S	S	*	*			trans	76.8	79.3	-179.1	-59.2	-84.2	0	0	0	116.6
593	K	42.1	Very low	46.6	Very low	204 Å²	204	168.1 Å²	168.1	89%	0.887	80%	0.803	S	S	*	*			trans	-155.7	59.9	164.1	-158.1	166.1	-170.6	167	0	113.8
594	H	47.4	Very low	47	Very low	191 Å²	191	167.5 Å²	167.5	88%	0.884	81%	0.807	S	S	*	*			trans	-154.3	50.6	-178.9	-135.6	65.3	0	0	0	118.8
595	R	48.3	Very low	47.8	Very low	252 Å²	252	164.3 Å²	164.3	95%	0.951	80%	0.803	S	S	*	*	S	Bend	trans	-152.3	28.6	161.5	-138.4	179.3	178.2	-168.2	-4.4	118
596	Q	52.4	Low	49.1	Very low	191 Å²	191	162.1 Å²	162.1	89%	0.893	80%	0.796	S	S	*	*			trans	-133.8	93.8	171.6	-76.3	-178	-12.5	0	0	111.4
597	K	47.9	Very low	51	Low	203 Å²	203	161 Å²	161	88%	0.883	79%	0.791	S	S	*	*			trans	-161.1	89.7	167.3	-85.5	-165.3	177.7	179.5	0	110
598	L	50.2	Low	53.4	Low	159 Å²	159	155.4 Å²	155.4	83%	0.832	77%	0.769	S	S	*	*			trans	-176.1	-4.7	144.3	-104.5	163.4	0	0	0	116.1	K600	L598-K600 PolarHBondContact O-N 2.91Å
599	Y	49.4	Very low	56.1	Low	228 Å²	228	151 Å²	151	89%	0.894	74%	0.739	S	S	*	*			trans	-67.3	100	161.4	-90.8	-88.3	0	0	0	109.6
600	K	50.6	Low	58.7	Low	190 Å²	190	142.2 Å²	142.2	83%	0.826	70%	0.698	S	S	*	*			trans	-124.3	69.5	-174.1	-142.6	-170.6	-174.8	-165.2	0	112.1	L598 S602	L598-K600 PolarHBondContact O-N 2.91Å; K600-S602 PolarHBondContact O-N 3.35Å
601	N	49.5	Very low	61.2	Low	126 Å²	126	139.4 Å²	139.4	67%	0.674	68%	0.677	S	S	*	*			trans	48.7	67.8	153.9	-59.4	8.4	0	0	0	116	L603	N601-L603 HydrophobicContact CB-CB 4.43Å; N601-L603 HydrophobicContact CB-CD1 4.17Å; N601-L603 HydrophobicContact CB-CG 4.48Å; N601-L603 PolarHBondContact O-N 2.79Å
602	S	49.2	Very low	63.9	Low	105 Å²	105	133.6 Å²	133.6	73%	0.734	66%	0.655	S	S	*	*			trans	-70.4	41.7	144.4	48.4	0	0	0	0	111.1	K600 S604	K600-S602 PolarHBondContact O-N 3.35Å; S602-S604 PolarHBondContact O-N 2.95Å
603	L	53.8	Low	66.1	Low	128 Å²	128	129.8 Å²	129.8	67%	0.67	64%	0.637	S	S	*	*			trans	-62.3	101.9	167.6	-92.7	161.6	0	0	0	106.4	N601 T605	N601-L603 HydrophobicContact CB-CB 4.43Å; N601-L603 HydrophobicContact CB-CD1 4.17Å; N601-L603 HydrophobicContact CB-CG 4.48Å; N601-L603 PolarHBondContact O-N 2.79Å; L603-T605 VanDerWaalsContact C-N 3.32Å; L603-T605 PolarHBondContact O-N 2.89Å
604	S	57.1	Low	68.5	Low	101 Å²	101	121.8 Å²	121.8	71%	0.706	61%	0.613	S	S	*	*			trans	-56.8	100.8	167.5	40.8	0	0	0	0	106.9	S602 N606	S602-S604 PolarHBondContact O-N 2.95Å; S604-N606 PolarHBondContact O-N 3.25Å; S604-N606 VanDerWaalsContact O-N 3.09Å
605	T	60.9	Low	70.8	Confident	110 Å²	110	113.2 Å²	113.2	68%	0.675	58%	0.576	S	S	*	*			trans	-56.9	123.8	177	40.3	0	0	0	0	106.6	L603 I607	L603-T605 VanDerWaalsContact C-N 3.32Å; L603-T605 PolarHBondContact O-N 2.89Å; T605-I607 PolarHBondContact O-N 3.49Å
606	N	73.2	Confident	73.2	Confident	115 Å²	115	107 Å²	107	62%	0.615	56%	0.558	S	S	*	*			trans	-70.9	79.4	176.1	-86.6	-69.7	0	0	0	107.6	Q490 S604 I608	Q490-N606 PolarHBondContact NE2-OD1 3.39Å; S604-N606 PolarHBondContact O-N 3.25Å; S604-N606 VanDerWaalsContact O-N 3.09Å; N606-I608 PolarHBondContact O-N 3.32Å
607	I	87.1	Confident	75.3	Confident	107 Å²	107	98.1 Å²	98.1	55%	0.549	52%	0.517	S	S	.	.			trans	-60.1	104.7	177.3	-65.2	168.2	0	0	0	106.1	Q490 R520 T605 A609	Q490-I607 VanDerWaalsContact O-O 3.08Å; R520-I607 PolarHBondContact NH2-O 3.38Å; T605-I607 PolarHBondContact O-N 3.49Å; I607-A609 PolarHBondContact O-N 3.47Å
608	I	94.1	Very high	77.6	Confident	69 Å²	69	89.1 Å²	89.1	35%	0.354	48%	0.478	S	S	.	.			trans	-61.8	124.2	169.7	-73.9	168.3	0	0	0	107	A488 N606 V610	A488-I608 HydrophobicContact CB-CD1 3.92Å; A488-I608 HydrophobicContact CB-CG1 4.1Å; A488-I608 HydrophobicContact CB-CG2 3.68Å; N606-I608 PolarHBondContact O-N 3.32Å; I608-V610 VanDerWaalsContact CG2-O 3.22Å; I608-V610 WeakPolarHBondContact CG2-O 3.29Å
609	A	96.2	Very high	79.9	Confident	10 Å²	10	81.5 Å²	81.5	8%	0.083	44%	0.438	C	S	.	.	S	Bend	trans	-78.3	-34.1	179.2	0	0	0	0	0	111.8	I489 V492 I607 F619	I489-A609 PolarHBondContact O-N 2.7Å; V492-A609 HydrophobicContact CG2-CB 3.93Å; I607-A609 PolarHBondContact O-N 3.47Å; A609-F619 HydrophobicContact CB-CZ 4.43Å
610	V	96.9	Very high	82.1	Confident	0 Å²	0	73 Å²	73	0%	0	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-141.6	122.7	171.4	-160.3	0	0	0	0	109	I481 N483 I489 V492 I608 G615 A617 F619	I481-V610 HydrophobicContact CB-CG2 4.2Å; I481-V610 HydrophobicContact CD1-CG2 4.26Å; I481-V610 HydrophobicContact CG2-CG2 4.2Å; N483-V610 HydrophobicContact CB-CB 4.41Å; N483-V610 HydrophobicContact CB-CG1 3.88Å; I489-V610 HydrophobicContact CB-CB 3.96Å; I489-V610 HydrophobicContact CB-CG2 4.04Å; I489-V610 HydrophobicContact CD1-CB 4.05Å; I489-V610 HydrophobicContact CD1-CG2 3.93Å; I489-V610 HydrophobicContact CG1-CB 4.27Å; I489-V610 HydrophobicContact CG1-CG2 4.46Å; I489-V610 HydrophobicContact CG2-CG2 4.43Å; I489-V610 PolarHBondContact N-O 2.75Å; I489-V610 PolarHBondContact O-N 3.29Å; V492-V610 HydrophobicContact CG2-CG2 4.46Å; I608-V610 VanDerWaalsContact CG2-O 3.22Å; I608-V610 WeakPolarHBondContact CG2-O 3.29Å; V610-G615 WeakPolarHBondContact CG1-O 3.43Å; V610-A617 HydrophobicContact CB-CB 4.49Å; V610-A617 HydrophobicContact CG1-CB 4.2Å; V610-A617 HydrophobicContact CG2-CB 3.87Å; V610-F619 HydrophobicContact CG2-CE2 4.29Å; V610-F619 HydrophobicContact CG2-CZ 4.03Å
611	P	96.3	Very high	84.2	Confident	65 Å²	65	66 Å²	66	42%	0.422	38%	0.381	S	S	.	.			trans	-57.2	163.5	173.7	-24.6	34.7	0	0	0	113.1	N483	N483-P611 WeakPolarHBondContact CB-O 3.32Å; N483-P611 PolarHBondContact ND2-O 2.72Å
612	D	94.3	Very high	86.4	Confident	69 Å²	69	64.8 Å²	64.8	37%	0.369	37%	0.374	S	S	.	.	S	Bend	trans	-75.6	-178.6	169.1	58.2	-43	0	0	0	112.4	S485 A488 G614 G615	S485-D612 WeakPolarHBondContact O-CB 3.37Å; A488-D612 HydrophobicContact CB-CB 4.4Å; D612-G614 VanDerWaalsContact C-N 3.28Å; D612-G614 PolarHBondContact O-N 2.87Å; D612-G615 PolarHBondContact O-N 2.9Å
613	Q	91.3	Very high	88.7	Confident	102 Å²	102	59.9 Å²	59.9	48%	0.477	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	32.9	164.5	-55.7	-68.9	2.8	0	0	116	H453 S485	H453-Q613 PolarHBondContact CD2-NE2 3.32Å; H453-Q613 PolarHBondContact CE1-NE2 2.91Å; H453-Q613 PolarHBondContact NE2-NE2 3.35Å; S485-Q613 PolarHBondContact O-N 2.97Å
614	G	93	Very high	90.6	Very high	37 Å²	37	58.2 Å²	58.2	38%	0.381	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.3	5.7	-179.7	0	0	0	0	0	114.5	N483 D612 Q616	N483-G614 WeakPolarHBondContact O-CA 3.31Å; N483-G614 PolarHBondContact O-N 2.97Å; D612-G614 VanDerWaalsContact C-N 3.28Å; D612-G614 PolarHBondContact O-N 2.87Å; G614-Q616 PolarHBondContact O-N 3.36Å
615	G	95.7	Very high	92.4	Very high	11 Å²	11	53.4 Å²	53.4	11%	0.113	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	135.1	172.7	0	0	0	0	0	112.8	N483 V610 D612	N483-G615 PolarHBondContact N-O 3Å; N483-G615 PolarHBondContact O-N 2.86Å; V610-G615 WeakPolarHBondContact CG1-O 3.43Å; D612-G615 PolarHBondContact O-N 2.9Å
616	Q	97.2	Very high	93.8	Very high	120 Å²	120	48.2 Å²	48.2	56%	0.561	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.9	176.5	-65.4	-171.1	-54.9	0	0	110.9	I481 T482 G614	I481-Q616 VanDerWaalsContact O-CA 3.28Å; I481-Q616 WeakPolarHBondContact O-CA 3.29Å; T482-Q616 HydrophobicContact CG2-CG 3.95Å; T482-Q616 PolarHBondContact OG1-NE2 2.86Å; G614-Q616 PolarHBondContact O-N 3.36Å
617	A	97.4	Very high	94.6	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	147.4	173	0	0	0	0	0	111.2	I481 A523 V610 F619	I481-A617 PolarHBondContact N-O 2.95Å; I481-A617 PolarHBondContact O-N 3.24Å; A523-A617 HydrophobicContact CB-CB 4.05Å; V610-A617 HydrophobicContact CB-CB 4.49Å; V610-A617 HydrophobicContact CG1-CB 4.2Å; V610-A617 HydrophobicContact CG2-CB 3.87Å; A617-F619 HydrophobicContact CB-CD2 4.39Å; A617-F619 HydrophobicContact CB-CE2 3.48Å; A617-F619 VanDerWaalsContact CB-CE2 3.48Å; A617-F619 HydrophobicContact CB-CZ 3.59Å
618	Y	97.2	Very high	94.7	Very high	14 Å²	14	38.8 Å²	38.8	6%	0.055	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.6	169.9	-179.8	-102	0	0	0	109.4	Q478 V479 H480 Q524 L532 F533	Q478-Y618 HydrophobicContact CB-CE2 4.28Å; Q478-Y618 WeakPolarHBondContact CG-OH 3.43Å; V479-Y618 CarbonylContact O-C 3.58Å; V479-Y618 WeakPolarHBondContact O-CA 3.49Å; V479-Y618 WeakPolarHBondContact O-CD2 3.34Å; H480-Y618 HydrophobicContact CB-CD2 4.27Å; Q524-Y618 HydrophobicContact CB-CD1 4.46Å; Q524-Y618 HydrophobicContact CG-CD1 4.43Å; Q524-Y618 PolarHBondContact N-O 3Å; L532-Y618 HydrophobicContact CD2-CD1 4.06Å; L532-Y618 HydrophobicContact CD2-CE1 4.06Å; F533-Y618 HydrophobicContact CE1-CE2 4.3Å; F533-Y618 HydrophobicContact CE2-CE2 4.47Å; F533-Y618 HydrophobicContact CZ-CD2 4.18Å; F533-Y618 AromaticContact CZ-CE2 3.78Å; F533-Y618 HydrophobicContact CZ-CE2 3.78Å
619	F	97.3	Very high	94.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.6	180	-46.8	-102.7	0	0	0	109.2	V479 I481 V492 L521 N522 A523 A609 V610 A617	V479-F619 HydrophobicContact CB-CB 4.14Å; V479-F619 HydrophobicContact CB-CD2 4.15Å; V479-F619 HydrophobicContact CG1-CD2 4.38Å; V479-F619 PolarHBondContact N-O 3.4Å; V479-F619 PolarHBondContact O-N 3.25Å; I481-F619 HydrophobicContact CD1-CD2 4.34Å; I481-F619 HydrophobicContact CD1-CE2 3.69Å; I481-F619 HydrophobicContact CD1-CZ 4.44Å; I481-F619 HydrophobicContact CG1-CD2 4.41Å; I481-F619 HydrophobicContact CG1-CE2 3.94Å; V492-F619 HydrophobicContact CB-CE1 4.19Å; V492-F619 HydrophobicContact CB-CZ 4.19Å; V492-F619 HydrophobicContact CG2-CE1 4.11Å; V492-F619 HydrophobicContact CG2-CE2 4.11Å; V492-F619 HydrophobicContact CG2-CZ 3.64Å; L521-F619 HydrophobicContact CB-CB 4.01Å; L521-F619 HydrophobicContact CB-CD1 3.5Å; L521-F619 VanDerWaalsContact CB-CD1 3.5Å; L521-F619 HydrophobicContact CB-CE1 4.25Å; L521-F619 HydrophobicContact CB-CG 4Å; L521-F619 HydrophobicContact CD1-CB 3.81Å; L521-F619 HydrophobicContact CD1-CG 4.27Å; L521-F619 HydrophobicContact CG-CB 4.49Å; N522-F619 VanDerWaalsContact C-CD1 3.47Å; N522-F619 WeakPolarHBondContact O-CD1 3.16Å; A523-F619 VanDerWaalsContact CA-CE1 3.48Å; A523-F619 HydrophobicContact CB-CD1 4.28Å; A523-F619 HydrophobicContact CB-CE1 3.72Å; A523-F619 HydrophobicContact CB-CZ 4.08Å; A609-F619 HydrophobicContact CB-CZ 4.43Å; V610-F619 HydrophobicContact CG2-CE2 4.29Å; V610-F619 HydrophobicContact CG2-CZ 4.03Å; A617-F619 HydrophobicContact CB-CD2 4.39Å; A617-F619 HydrophobicContact CB-CE2 3.48Å; A617-F619 VanDerWaalsContact CB-CE2 3.48Å; A617-F619 HydrophobicContact CB-CZ 3.59Å
620	T	96.3	Very high	94.4	Very high	48 Å²	48	37.8 Å²	37.8	29%	0.294	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.7	165.7	-151.7	0	0	0	0	108.2	P477	P477-T620 VanDerWaalsContact O-CA 3.27Å; P477-T620 WeakPolarHBondContact O-CA 3.12Å; P477-T620 PolarHBondContact O-OG1 2.85Å
621	D	95.3	Very high	94.1	Very high	44 Å²	44	38.4 Å²	38.4	24%	0.235	22%	0.215	C	C	.	.			trans	-143.2	175.8	173.6	-144.3	-29.5	0	0	0	108.9	P477 T519 L521	P477-D621 VanDerWaalsContact CD-O 3.31Å; P477-D621 WeakPolarHBondContact CD-O 3.46Å; P477-D621 HydrophobicContact CG-CB 3.88Å; P477-D621 PolarHBondContact O-N 2.67Å; T519-D621 WeakPolarHBondContact CG2-OD2 3.26Å; T519-D621 PolarHBondContact OG1-OD2 2.81Å; L521-D621 HydrophobicContact CD2-CB 3.81Å; L521-D621 WeakPolarHBondContact CD2-OD2 3.46Å
622	L	95.6	Very high	93.4	Very high	101 Å²	101	35.7 Å²	35.7	53%	0.529	20%	0.2	S	C	.	.			trans	-129.2	114.2	174	-65	176.3	0	0	0	109.1	T474 I476	T474-L622 HydrophobicContact CG2-CB 3.99Å; T474-L622 HydrophobicContact CG2-CD2 4.13Å; I476-L622 HydrophobicContact CB-CD2 4.43Å; I476-L622 HydrophobicContact CD1-CD2 4.3Å; I476-L622 HydrophobicContact CG1-CD2 3.85Å; I476-L622 HydrophobicContact CG2-CD2 4.15Å
623	I	95.7	Very high	92.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	107.8	179.9	-47.2	178.6	0	0	0	108.1	T474 I475 P477 L494 F496 F517 L646	T474-I623 CarbonylContact C-O 3.56Å; T474-I623 WeakPolarHBondContact CA-O 3Å; I475-I623 HydrophobicContact CB-CB 4.24Å; I475-I623 PolarHBondContact N-O 2.72Å; I475-I623 PolarHBondContact O-N 2.93Å; P477-I623 HydrophobicContact CG-CD1 4.24Å; P477-I623 HydrophobicContact CG-CG1 4.32Å; L494-I623 HydrophobicContact CD2-CD1 3.99Å; F496-I623 HydrophobicContact CB-CD1 4.45Å; F496-I623 HydrophobicContact CB-CG2 4.35Å; F496-I623 HydrophobicContact CD1-CG2 4.29Å; F517-I623 HydrophobicContact CB-CG2 4.23Å; F517-I623 HydrophobicContact CD1-CB 4.49Å; F517-I623 HydrophobicContact CD1-CD1 3.74Å; F517-I623 HydrophobicContact CD1-CG1 3.9Å; F517-I623 HydrophobicContact CD1-CG2 3.84Å; F517-I623 HydrophobicContact CE1-CB 4.49Å; F517-I623 HydrophobicContact CE1-CD1 3.69Å; F517-I623 HydrophobicContact CE1-CG1 3.58Å; F517-I623 HydrophobicContact CE1-CG2 4.3Å; F517-I623 HydrophobicContact CG-CG2 4.01Å; F517-I623 HydrophobicContact CZ-CG1 4.23Å; I623-L646 HydrophobicContact CD1-CD1 3.61Å
624	H	94.1	Very high	91.7	Very high	92 Å²	92	31.3 Å²	31.3	43%	0.426	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.2	169.6	-70.6	-88.2	0	0	0	109.7	T474 P626	T474-H624 PolarHBondContact OG1-CE1 2.85Å; T474-H624 VanDerWaalsContact OG1-CE1 3.26Å; T474-H624 PolarHBondContact OG1-ND1 2.79Å; H624-P626 VanDerWaalsContact O-CD 3.3Å; H624-P626 WeakPolarHBondContact O-CD 3.08Å
625	V	95	Very high	91	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.			trans	-84.4	113	178	-180	0	0	0	0	108.4	F469 G472 E473 I475 L628 I670	F469-V625 HydrophobicContact CB-CG2 3.95Å; F469-V625 HydrophobicContact CD1-CG2 4.46Å; F469-V625 HydrophobicContact CG-CG2 4.28Å; G472-V625 PolarHBondContact N-O 3.34Å; E473-V625 PolarHBondContact O-N 3.06Å; I475-V625 HydrophobicContact CD1-CG2 4.17Å; I475-V625 HydrophobicContact CG1-CG2 3.81Å; V625-L628 HydrophobicContact CG1-CD1 4.23Å; V625-I670 HydrophobicContact CG1-CD1 3.75Å
626	P	91.5	Very high	90.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.013	19%	0.185	C	C	.	.			trans	-72.2	177.5	178.2	27.8	-30.5	0	0	0	112	I516 H624 L628 F693 I700	I516-P626 HydrophobicContact CG2-CG 3.46Å; I516-P626 VanDerWaalsContact CG2-CG 3.46Å; H624-P626 VanDerWaalsContact O-CD 3.3Å; H624-P626 WeakPolarHBondContact O-CD 3.08Å; P626-L628 HydrophobicContact CG-CD1 3.99Å; P626-L628 HydrophobicContact CG-CD2 4.15Å; P626-L628 HydrophobicContact CG-CG 3.94Å; P626-L628 PolarHBondContact O-N 2.7Å; P626-F693 HydrophobicContact CB-CB 4.26Å; P626-F693 HydrophobicContact CB-CD2 3.4Å; P626-F693 HydrophobicContact CB-CE2 3.86Å; P626-F693 HydrophobicContact CB-CG 3.87Å; P626-F693 HydrophobicContact CG-CD2 3.87Å; P626-F693 HydrophobicContact CG-CE2 3.85Å; P626-F693 HydrophobicContact CG-CG 4.3Å; P626-F693 HydrophobicContact CG-CZ 4.3Å; P626-I700 HydrophobicContact CB-CD1 4.05Å; P626-I700 HydrophobicContact CB-CG1 4.12Å
627	P	88.4	Confident	90	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.058	16%	0.16	C	C	.	.	S	Bend	trans	-56.8	105.9	165.8	18.1	-28.3	0	0	0	111.3	F693 V717 Y718	P627-F693 HydrophobicContact CG-CB 4.07Å; P627-V717 HydrophobicContact CB-CG1 4.47Å; P627-Y718 HydrophobicContact CB-CD1 3.58Å; P627-Y718 HydrophobicContact CB-CE1 3.42Å; P627-Y718 VanDerWaalsContact CB-CE1 3.42Å; P627-Y718 HydrophobicContact CB-CG 4.25Å; P627-Y718 HydrophobicContact CG-CD1 4.25Å; P627-Y718 HydrophobicContact CG-CE1 3.62Å
628	L	90.3	Very high	89.5	Confident	14 Å²	14	35.1 Å²	35.1	7%	0.073	19%	0.188	C	C	.	.			trans	-128.8	140.4	178.4	-63.7	171.2	0	0	0	108.8	F496 I516 V625 P626 Y644 I670	F496-L628 HydrophobicContact CE1-CD1 3.63Å; F496-L628 HydrophobicContact CZ-CD1 3.85Å; I516-L628 HydrophobicContact CD1-CD1 3.65Å; I516-L628 HydrophobicContact CD1-CD2 3.91Å; I516-L628 HydrophobicContact CD1-CG 4.45Å; I516-L628 HydrophobicContact CG1-CD2 4.17Å; V625-L628 HydrophobicContact CG1-CD1 4.23Å; P626-L628 HydrophobicContact CG-CD1 3.99Å; P626-L628 HydrophobicContact CG-CD2 4.15Å; P626-L628 HydrophobicContact CG-CG 3.94Å; P626-L628 PolarHBondContact O-N 2.7Å; L628-Y644 HydrophobicContact CB-CE1 3.92Å; L628-Y644 HydrophobicContact CD1-CD1 4.01Å; L628-Y644 HydrophobicContact CD1-CE1 3.77Å; L628-Y644 HydrophobicContact CD2-CE1 4.04Å; L628-Y644 HydrophobicContact CG-CE1 4.11Å; L628-I670 HydrophobicContact CB-CG2 4.21Å; L628-I670 HydrophobicContact CD1-CG1 4.43Å
629	P	91.1	Very high	89.2	Confident	45 Å²	45	35 Å²	35	29%	0.292	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-51.4	152.5	169.7	-27.1	32.7	0	0	0	113.1	F383 S631 L642 Y644	F383-P629 HydrophobicContact CD2-CB 4.45Å; F383-P629 HydrophobicContact CD2-CG 3.95Å; F383-P629 HydrophobicContact CE2-CG 3.83Å; P629-S631 PolarHBondContact O-N 3.31Å; P629-L642 HydrophobicContact CB-CD1 3.73Å; P629-L642 HydrophobicContact CG-CD1 4.16Å; P629-Y644 WeakPolarHBondContact CD-OH 3.21Å; P629-Y644 WeakPolarHBondContact O-CE2 3.35Å; P629-Y644 PolarHBondContact O-OH 2.82Å
630	T	91.6	Very high	89	Confident	13 Å²	13	35.1 Å²	35.1	8%	0.08	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-59	134.8	172.3	50.4	0	0	0	0	111.2	L427 G632 I670	L427-T630 HydrophobicContact CB-CG2 3.86Å; T630-G632 PolarHBondContact O-N 2.85Å; T630-I670 CarbonylContact C-O 3.56Å; T630-I670 WeakPolarHBondContact CA-O 3.4Å
631	S	92.1	Very high	88.8	Confident	13 Å²	13	35.3 Å²	35.3	9%	0.091	19%	0.185	C	C	.	.	S	Bend	trans	-57.2	130.1	176.7	-77.3	0	0	0	0	112.1	P629 Y644 T669 I670	P629-S631 PolarHBondContact O-N 3.31Å; S631-Y644 VanDerWaalsContact OG-CD2 3.29Å; S631-Y644 WeakPolarHBondContact OG-CD2 3.38Å; S631-T669 WeakPolarHBondContact OG-CA 3.18Å; S631-I670 PolarHBondContact N-O 2.89Å; S631-I670 PolarHBondContact OG-N 3.18Å
632	G	81	Confident	88.8	Confident	9 Å²	9	33.2 Å²	33.2	9%	0.093	17%	0.174	C	C	.	.			trans	66.8	101.7	-176.8	0	0	0	0	0	112.8	T630 F634 L642	T630-G632 PolarHBondContact O-N 2.85Å; G632-F634 VanDerWaalsContact O-CD2 3.26Å; G632-F634 WeakPolarHBondContact O-CD2 3.24Å; G632-F634 PolarHBondContact O-N 2.99Å; G632-L642 PolarHBondContact N-O 3.22Å
633	L	76.8	Confident	88.8	Confident	5 Å²	5	30.7 Å²	30.7	3%	0.026	16%	0.159	C	C	.	.			trans	-75.3	51.1	172.6	-62.6	175.7	0	0	0	111.6	F383 I398 Q637 I640 L642	F383-L633 HydrophobicContact CB-CD1 4.02Å; F383-L633 HydrophobicContact CD1-CD1 3.78Å; F383-L633 HydrophobicContact CD2-CD1 4.27Å; F383-L633 HydrophobicContact CE1-CD1 4.27Å; F383-L633 HydrophobicContact CG-CD1 3.76Å; I398-L633 HydrophobicContact CD1-CB 4.29Å; I398-L633 HydrophobicContact CD1-CD1 3.97Å; L633-Q637 PolarHBondContact O-NE2 2.82Å; L633-I640 HydrophobicContact CD1-CG2 3.88Å; L633-L642 HydrophobicContact CD1-CD1 3.72Å; L633-L642 HydrophobicContact CD1-CG 3.94Å; L633-L642 HydrophobicContact CD2-CD1 4.33Å; L633-L642 HydrophobicContact CG-CD1 3.89Å; L633-L642 HydrophobicContact CG-CG 4.13Å
634	F	72.6	Confident	88.9	Confident	73 Å²	73	30.7 Å²	30.7	32%	0.32	16%	0.159	S	C	.	.			trans	-65.4	139.4	-174.5	-62	-70.8	0	0	0	112.2	L180 R425 G632 Y641	L180-F634 HydrophobicContact CB-CE2 4.48Å; L180-F634 HydrophobicContact CB-CZ 4.42Å; L180-F634 HydrophobicContact CD1-CE2 4.25Å; L180-F634 HydrophobicContact CD1-CZ 4.36Å; L180-F634 HydrophobicContact CD2-CE2 4.3Å; R425-F634 PolarHBondContact NH1-O 2.97Å; G632-F634 VanDerWaalsContact O-CD2 3.26Å; G632-F634 WeakPolarHBondContact O-CD2 3.24Å; G632-F634 PolarHBondContact O-N 2.99Å; F634-Y641 HydrophobicContact CE1-CD2 4.46Å; F634-Y641 AromaticContact CE1-CE2 3.87Å; F634-Y641 HydrophobicContact CE1-CE2 3.87Å; F634-Y641 AromaticContact CZ-CE2 3.8Å; F634-Y641 HydrophobicContact CZ-CE2 3.8Å
635	G	79.9	Confident	89.1	Confident	32 Å²	32	26.5 Å²	26.5	33%	0.33	14%	0.14	S	C	.	.	S	Bend	trans	155.5	-148.6	179	0	0	0	0	0	111.5	D378 Q637	D378-G635 CarbonylContact O-C 3.46Å; D378-G635 WeakPolarHBondContact O-CA 3.42Å; G635-Q637 PolarHBondContact O-N 3.39Å; G635-Q637 VanDerWaalsContact O-N 3.09Å
636	R	82.3	Confident	89.2	Confident	96 Å²	96	26.5 Å²	26.5	36%	0.362	14%	0.14	S	C	.	.	S	Bend	trans	-68.3	1.6	-179.4	-71.7	-176.1	-176.8	-180	6.5	116.7	Q256 I258 D378	Q256-R636 PolarHBondContact NE2-O 2.83Å; I258-R636 HydrophobicContact CG2-CB 3.54Å; I258-R636 WeakPolarHBondContact O-CD 3.37Å; D378-R636 PolarHBondContact O-N 3.07Å; D378-R636 IonicContact OD1-CZ 2.71Å; D378-R636 IonicContact OD1-NE 2.71Å; D378-R636 PolarHBondContact OD1-NE 2.96Å; D378-R636 VanDerWaalsContact OD1-NE 3.09Å; D378-R636 IonicContact OD1-NH2 3.67Å; D378-R636 PolarHBondContact OD1-NH2 3.1Å; D378-R636 WeakPolarHBondContact OD2-CG 3.22Å; D378-R636 IonicContact OD2-CZ 2.72Å; D378-R636 IonicContact OD2-NE 2.76Å; D378-R636 PolarHBondContact OD2-NE 2.86Å; D378-R636 IonicContact OD2-NH2 3.89Å; D378-R636 PolarHBondContact OD2-NH2 3.26Å; D378-R636 VanDerWaalsContact OD2-NH2 3.15Å
637	Q	87.7	Confident	89.5	Confident	6 Å²	6	28.4 Å²	28.4	3%	0.028	15%	0.15	C	C	.	.			trans	-119.4	143.2	-178.1	73.4	80	26.6	0	0	111.6	A53 I258 P380 I398 L633 G635 I640	A53-Q637 HydrophobicContact CB-CB 3.98Å; A53-Q637 HydrophobicContact CB-CG 4.4Å; I258-Q637 HydrophobicContact CD1-CB 4.07Å; I258-Q637 HydrophobicContact CD1-CG 4.31Å; I258-Q637 HydrophobicContact CG1-CB 4.07Å; P380-Q637 HydrophobicContact CB-CG 4.23Å; P380-Q637 HydrophobicContact CG-CG 3.7Å; I398-Q637 HydrophobicContact CD1-CG 3.95Å; L633-Q637 PolarHBondContact O-NE2 2.82Å; G635-Q637 PolarHBondContact O-N 3.39Å; G635-Q637 VanDerWaalsContact O-N 3.09Å; Q637-I640 PolarHBondContact NE2-O 3.18Å
638	N	88.4	Confident	90	Very high	120 Å²	120	28 Å²	28	64%	0.642	15%	0.147	S	C	*	.			trans	-127.9	24.5	178.6	-69.5	-46.2	0	0	0	111.6
639	L	90.8	Very high	90.3	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.052	16%	0.156	C	C	.	.	S	Bend	trans	-96	-27	-179.5	-65.2	-170	0	0	0	113.3	A53 T55 D254 Q256 L502 K503	A53-L639 HydrophobicContact CB-CB 4.38Å; A53-L639 HydrophobicContact CB-CD1 4.03Å; A53-L639 HydrophobicContact CB-CG 4.48Å; T55-L639 HydrophobicContact CG2-CB 3.95Å; D254-L639 HydrophobicContact CB-CD1 3.79Å; D254-L639 HydrophobicContact CB-CD2 3.87Å; Q256-L639 HydrophobicContact CB-CD1 3.49Å; Q256-L639 VanDerWaalsContact CB-CD1 3.49Å; Q256-L639 HydrophobicContact CB-CG 3.93Å; L502-L639 CarbonylContact C-O 3.43Å; L502-L639 VanDerWaalsContact CA-O 3.3Å; L502-L639 WeakPolarHBondContact CA-O 3.44Å; K503-L639 PolarHBondContact N-O 2.59Å
640	I	92.7	Very high	90.6	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125	-171.1	-53.6	166.1	0	0	0	108.6	T55 F383 A396 S397 I398 F501 L502 L633 Q637	T55-I640 HydrophobicContact CG2-CD1 4.26Å; T55-I640 HydrophobicContact CG2-CG1 3.64Å; F383-I640 HydrophobicContact CD1-CD1 4.43Å; F383-I640 HydrophobicContact CD1-CG2 3.94Å; F383-I640 HydrophobicContact CE1-CG2 3.68Å; A396-I640 HydrophobicContact CB-CD1 3.86Å; A396-I640 HydrophobicContact CB-CG1 4.06Å; A396-I640 HydrophobicContact CB-CG2 4.35Å; S397-I640 WeakPolarHBondContact O-CD1 3.41Å; I398-I640 HydrophobicContact CD1-CD1 4.4Å; I398-I640 HydrophobicContact CG1-CD1 3.79Å; F501-I640 CarbonylContact O-C 3.6Å; F501-I640 WeakPolarHBondContact O-CA 3.21Å; L502-I640 HydrophobicContact CD2-CB 4.46Å; L502-I640 HydrophobicContact CD2-CG1 4.19Å; L502-I640 HydrophobicContact CD2-CG2 4.07Å; L633-I640 HydrophobicContact CD1-CG2 3.88Å; Q637-I640 PolarHBondContact NE2-O 3.18Å
641	Y	93	Very high	90.8	Very high	51 Å²	51	30.1 Å²	30.1	20%	0.2	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.8	176.5	174.6	-111	0	0	0	110.4	F501 F634 E643	F501-Y641 HydrophobicContact CB-CD1 4.31Å; F501-Y641 AromaticContact CD2-CD1 3.57Å; F501-Y641 HydrophobicContact CD2-CD1 3.57Å; F501-Y641 HydrophobicContact CD2-CE1 4.18Å; F501-Y641 HydrophobicContact CE2-CD1 4.05Å; F501-Y641 HydrophobicContact CE2-CE1 4.19Å; F501-Y641 HydrophobicContact CG-CD1 4.08Å; F501-Y641 PolarHBondContact N-O 2.95Å; F501-Y641 PolarHBondContact O-N 3.17Å; F634-Y641 HydrophobicContact CE1-CD2 4.46Å; F634-Y641 AromaticContact CE1-CE2 3.87Å; F634-Y641 HydrophobicContact CE1-CE2 3.87Å; F634-Y641 AromaticContact CZ-CE2 3.8Å; F634-Y641 HydrophobicContact CZ-CE2 3.8Å; Y641-E643 HydrophobicContact CD1-CG 4.25Å; Y641-E643 HydrophobicContact CE1-CG 3.37Å; Y641-E643 WeakPolarHBondContact CE1-OE1 3.32Å; Y641-E643 WeakPolarHBondContact OH-CG 3.4Å; Y641-E643 PolarHBondContact OH-OE1 2.97Å
642	L	94.1	Very high	91	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.3	-171.5	-63.3	-177.3	0	0	0	110.3	F383 Q498 T499 V500 P629 G632 L633 Y644	F383-L642 HydrophobicContact CD2-CD1 4.28Å; F383-L642 HydrophobicContact CE2-CD1 3.79Å; F383-L642 HydrophobicContact CZ-CD1 3.97Å; F383-L642 HydrophobicContact CZ-CD2 3.98Å; F383-L642 HydrophobicContact CZ-CG 4.47Å; Q498-L642 HydrophobicContact CG-CD2 4.43Å; T499-L642 WeakPolarHBondContact O-CA 3.28Å; V500-L642 HydrophobicContact CB-CD2 4.24Å; V500-L642 HydrophobicContact CG1-CD2 4.05Å; V500-L642 HydrophobicContact CG2-CD2 3.81Å; P629-L642 HydrophobicContact CB-CD1 3.73Å; P629-L642 HydrophobicContact CG-CD1 4.16Å; G632-L642 PolarHBondContact N-O 3.22Å; L633-L642 HydrophobicContact CD1-CD1 3.72Å; L633-L642 HydrophobicContact CD1-CG 3.94Å; L633-L642 HydrophobicContact CD2-CD1 4.33Å; L633-L642 HydrophobicContact CG-CD1 3.89Å; L633-L642 HydrophobicContact CG-CG 4.13Å; L642-Y644 HydrophobicContact CB-CE2 4.43Å
643	E	95.6	Very high	91.6	Very high	47 Å²	47	33.4 Å²	33.4	22%	0.22	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152.1	167.9	-63.7	-171.7	148.3	0	0	110.2	Q498 T499 F501 Y641	Q498-E643 CarbonylContact C-O 3.54Å; Q498-E643 WeakPolarHBondContact CA-O 3.47Å; T499-E643 PolarHBondContact N-O 3.18Å; T499-E643 PolarHBondContact O-N 2.86Å; F501-E643 HydrophobicContact CE2-CB 4.16Å; F501-E643 HydrophobicContact CE2-CG 3.84Å; Y641-E643 HydrophobicContact CD1-CG 4.25Å; Y641-E643 HydrophobicContact CE1-CG 3.37Å; Y641-E643 WeakPolarHBondContact CE1-OE1 3.32Å; Y641-E643 WeakPolarHBondContact OH-CG 3.4Å; Y641-E643 PolarHBondContact OH-OE1 2.97Å
644	Y	97.7	Very high	92.3	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	147.6	171.5	-62.6	-95.4	0	0	0	109	F496 A497 Q498 I516 L628 P629 S631 L642 I668 I670	F496-Y644 HydrophobicContact CZ-CD1 4.18Å; A497-Y644 CarbonylContact O-C 3.59Å; A497-Y644 WeakPolarHBondContact O-CA 3.2Å; Q498-Y644 HydrophobicContact CB-CD1 3.83Å; Q498-Y644 HydrophobicContact CB-CE1 3.53Å; Q498-Y644 VanDerWaalsContact CD-OH 3.24Å; Q498-Y644 HydrophobicContact CG-CD1 4.2Å; Q498-Y644 HydrophobicContact CG-CE1 3.57Å; Q498-Y644 PolarHBondContact OE1-OH 3.37Å; I516-Y644 HydrophobicContact CD1-CD1 3.76Å; I516-Y644 HydrophobicContact CD1-CE1 3.95Å; L628-Y644 HydrophobicContact CB-CE1 3.92Å; L628-Y644 HydrophobicContact CD1-CD1 4.01Å; L628-Y644 HydrophobicContact CD1-CE1 3.77Å; L628-Y644 HydrophobicContact CD2-CE1 4.04Å; L628-Y644 HydrophobicContact CG-CE1 4.11Å; P629-Y644 WeakPolarHBondContact CD-OH 3.21Å; P629-Y644 WeakPolarHBondContact O-CE2 3.35Å; P629-Y644 PolarHBondContact O-OH 2.82Å; S631-Y644 VanDerWaalsContact OG-CD2 3.29Å; S631-Y644 WeakPolarHBondContact OG-CD2 3.38Å; L642-Y644 HydrophobicContact CB-CE2 4.43Å; Y644-I668 PolarHBondContact O-N 2.77Å; Y644-I668 VanDerWaalsContact O-O 3.12Å; Y644-I670 HydrophobicContact CD1-CG1 4.15Å; Y644-I670 HydrophobicContact CD2-CB 4.31Å; Y644-I670 HydrophobicContact CD2-CG1 3.79Å; Y644-I670 HydrophobicContact CE2-CB 4.38Å; Y644-I670 HydrophobicContact CE2-CG1 4.17Å; Y644-I670 HydrophobicContact CG-CG1 3.8Å
645	S	97.8	Very high	93.2	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	151.2	178.3	65.7	0	0	0	0	113.3	F496 A497 Q665 I666	F496-S645 WeakPolarHBondContact CD2-O 3.42Å; A497-S645 PolarHBondContact N-O 2.94Å; A497-S645 PolarHBondContact O-N 2.88Å; S645-Q665 PolarHBondContact OG-NE2 3.25Å; S645-I666 CarbonylContact C-O 3.57Å; S645-I666 VanDerWaalsContact CA-O 3.32Å; S645-I666 WeakPolarHBondContact CA-O 3.46Å; S645-I666 WeakPolarHBondContact CB-O 3.34Å
646	L	98.1	Very high	93.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.4	171.8	-174.6	71.5	0	0	0	108.9	L462 V464 P477 L494 F496 I623 Q665 I666 I668	L462-L646 HydrophobicContact CD1-CD2 4.35Å; V464-L646 HydrophobicContact CG1-CD2 3.45Å; V464-L646 VanDerWaalsContact CG1-CD2 3.45Å; P477-L646 HydrophobicContact CB-CD2 4.12Å; L494-L646 HydrophobicContact CD1-CD1 3.82Å; L494-L646 HydrophobicContact CD1-CD2 4.19Å; L494-L646 HydrophobicContact CD1-CG 3.82Å; L494-L646 HydrophobicContact CD2-CD1 4.09Å; L494-L646 HydrophobicContact CG-CD1 3.81Å; L494-L646 HydrophobicContact CG-CG 4.37Å; F496-L646 HydrophobicContact CB-CD1 4.31Å; I623-L646 HydrophobicContact CD1-CD1 3.61Å; L646-Q665 CarbonylContact O-C 3.6Å; L646-Q665 WeakPolarHBondContact O-CA 3.37Å; L646-I666 PolarHBondContact N-O 3.23Å; L646-I666 PolarHBondContact O-N 2.94Å; L646-I668 HydrophobicContact CB-CD1 4.35Å; L646-I668 HydrophobicContact CB-CG1 4.15Å
647	I	97.9	Very high	93.9	Very high	42 Å²	42	41.7 Å²	41.7	22%	0.215	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.8	-176.1	-56.8	166.7	0	0	0	109.2	L494 T495 A497 M664 Q665	L494-I647 CarbonylContact C-O 3.54Å; L494-I647 WeakPolarHBondContact CA-O 3.33Å; T495-I647 PolarHBondContact N-O 3.05Å; T495-I647 PolarHBondContact O-N 3.34Å; A497-I647 HydrophobicContact CB-CD1 4.17Å; I647-M664 CarbonylContact C-O 3.43Å; I647-M664 WeakPolarHBondContact CA-O 3.47Å; I647-Q665 HydrophobicContact CG1-CG 3.98Å
648	L	98.3	Very high	93.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.9	169.8	-179.2	73.9	0	0	0	108.9	L462 V479 V492 H493 L494 L521 L650 C663 M664	L462-L648 HydrophobicContact CB-CD2 4.25Å; L462-L648 HydrophobicContact CD1-CD2 4.43Å; L462-L648 HydrophobicContact CD2-CB 3.97Å; V479-L648 HydrophobicContact CG1-CD1 4.1Å; V479-L648 HydrophobicContact CG1-CD2 3.6Å; V479-L648 HydrophobicContact CG2-CD1 3.99Å; V479-L648 HydrophobicContact CG2-CD2 4.44Å; V492-L648 HydrophobicContact CG1-CD1 3.68Å; H493-L648 CarbonylContact O-C 3.6Å; H493-L648 WeakPolarHBondContact O-CA 3.46Å; L494-L648 HydrophobicContact CD1-CB 4.07Å; L494-L648 HydrophobicContact CD1-CD1 4.01Å; L521-L648 HydrophobicContact CD1-CD1 4.29Å; L648-L650 HydrophobicContact CD1-CD2 4.38Å; L648-L650 HydrophobicContact CD2-CD2 4.16Å; L648-L650 HydrophobicContact CG-CD2 4.03Å; L648-C663 CarbonylContact O-C 3.58Å; L648-C663 VanDerWaalsContact O-CA 3.27Å; L648-C663 WeakPolarHBondContact O-CA 3.3Å; L648-M664 HydrophobicContact CB-CB 4.28Å; L648-M664 HydrophobicContact CD2-SD 4.03Å; L648-M664 PolarHBondContact N-O 3.1Å; L648-M664 PolarHBondContact O-N 2.84Å
649	R	97.4	Very high	93.9	Very high	67 Å²	67	42.2 Å²	42.2	25%	0.253	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	118.2	-179.9	-179.4	175.7	175.3	158.5	1.5	110.4	H493 D661 H662	H493-R649 HydrophobicContact CB-CB 4.36Å; H493-R649 PolarHBondContact N-O 3.3Å; H493-R649 PolarHBondContact O-N 3.22Å; R649-D661 HydrophobicContact CG-CB 4.11Å; R649-D661 IonicContact CZ-OD2 3.09Å; R649-D661 IonicContact NE-OD2 3.43Å; R649-D661 PolarHBondContact NE-OD2 3.37Å; R649-D661 IonicContact NH2-OD2 3.15Å; R649-D661 PolarHBondContact NH2-OD2 3.41Å; R649-H662 WeakPolarHBondContact CA-O 3.22Å
650	L	97.7	Very high	93.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.6	178.2	-42	-177.6	0	0	0	108.7	F445 I458 C460 I481 I489 V492 L648 D661 H662	F445-L650 HydrophobicContact CE2-CD1 4.19Å; I458-L650 HydrophobicContact CG2-CD1 4.1Å; C460-L650 HydrophobicContact CB-CD1 4.34Å; I481-L650 HydrophobicContact CD1-CD1 4.32Å; I481-L650 HydrophobicContact CD1-CD2 3.58Å; I489-L650 HydrophobicContact CD1-CD1 4.34Å; I489-L650 HydrophobicContact CG2-CB 4.33Å; V492-L650 HydrophobicContact CB-CD2 4.47Å; V492-L650 HydrophobicContact CG1-CD2 3.91Å; V492-L650 HydrophobicContact CG2-CD2 4.11Å; L648-L650 HydrophobicContact CD1-CD2 4.38Å; L648-L650 HydrophobicContact CD2-CD2 4.16Å; L648-L650 HydrophobicContact CG-CD2 4.03Å; L650-D661 WeakPolarHBondContact O-CA 3.34Å; L650-H662 HydrophobicContact CB-CB 4.24Å; L650-H662 HydrophobicContact CD1-CB 4.42Å; L650-H662 HydrophobicContact CG-CB 4.48Å; L650-H662 PolarHBondContact N-O 2.81Å; L650-H662 PolarHBondContact O-N 2.98Å
651	R	95.8	Very high	93.7	Very high	49 Å²	49	48 Å²	48	19%	0.185	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.6	-179.7	-176.8	160.6	-171.3	171.7	6.9	111.7	I489 Q490 T491 D655 R656 D661	I489-R651 CarbonylContact C-O 3.24Å; Q490-R651 PolarHBondContact N-O 3.29Å; T491-R651 PolarHBondContact N-O 3.23Å; T491-R651 PolarHBondContact O-N 3.45Å; T491-R651 VanDerWaalsContact OG1-CB 3.31Å; T491-R651 WeakPolarHBondContact OG1-CB 3.32Å; R651-D655 PolarHBondContact NE-O 3.06Å; R651-D655 PolarHBondContact NH2-O 2.98Å; R651-R656 PolarHBondContact NH2-O 2.92Å; R651-D661 VanDerWaalsContact CA-OD1 3.31Å; R651-D661 WeakPolarHBondContact CA-OD1 3.31Å; R651-D661 WeakPolarHBondContact CG-OD1 3.33Å
652	M	95.2	Very high	93.8	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	142.1	-176.3	-59.4	-50.8	-63.2	0	0	112.1	I458 R487 I489 G654 D655	I458-M652 HydrophobicContact CD1-CE 3.69Å; I458-M652 HydrophobicContact CD1-SD 3.62Å; R487-M652 HydrophobicContact CB-CE 3.76Å; R487-M652 WeakPolarHBondContact O-CE 3.47Å; I489-M652 HydrophobicContact CG1-CE 4.15Å; I489-M652 HydrophobicContact CG1-SD 3.89Å; M652-G654 PolarHBondContact O-N 3.21Å; M652-D655 WeakPolarHBondContact O-CB 3.34Å; M652-D655 PolarHBondContact O-N 2.81Å
653	Q	94.4	Very high	93.9	Very high	90 Å²	90	50.2 Å²	50.2	42%	0.421	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	133.3	176.2	-173.1	-177	13.9	0	0	110.7	A488 D655	A488-Q653 HydrophobicContact CB-CB 4.28Å; A488-Q653 VanDerWaalsContact O-CB 3.23Å; A488-Q653 WeakPolarHBondContact O-CB 3.28Å; A488-Q653 PolarHBondContact O-N 3.04Å; Q653-D655 VanDerWaalsContact C-N 3.31Å
654	G	91.8	Very high	94	Very high	64 Å²	64	48.1 Å²	48.1	66%	0.66	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.5	-19	-174.9	0	0	0	0	0	113.6	M652 R656	M652-G654 PolarHBondContact O-N 3.21Å; G654-R656 PolarHBondContact O-N 2.86Å
655	D	89.8	Confident	93.9	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.048	26%	0.26	C	S	.	.			trans	-80.8	83.4	179.2	-167.5	-2	0	0	0	112.1	R651 M652 Q653 E657 G658 K659 H660	R651-D655 PolarHBondContact NE-O 3.06Å; R651-D655 PolarHBondContact NH2-O 2.98Å; M652-D655 WeakPolarHBondContact O-CB 3.34Å; M652-D655 PolarHBondContact O-N 2.81Å; Q653-D655 VanDerWaalsContact C-N 3.31Å; D655-E657 PolarHBondContact O-N 2.86Å; D655-E657 PolarHBondContact OD1-N 2.83Å; D655-G658 VanDerWaalsContact CG-N 3.3Å; D655-G658 PolarHBondContact OD1-N 2.76Å; D655-G658 WeakPolarHBondContact OD2-CA 3.41Å; D655-K659 PolarHBondContact OD1-N 2.84Å; D655-K659 PolarHBondContact OD2-N 2.77Å; D655-H660 WeakPolarHBondContact OD2-CA 3.43Å; D655-H660 WeakPolarHBondContact OD2-CB 3.44Å; D655-H660 IonicContact OD2-CD2 3.19Å; D655-H660 IonicContact OD2-CG 2.73Å; D655-H660 PolarHBondContact OD2-N 3.46Å
656	R	87.4	Confident	93.9	Very high	220 Å²	220	52.7 Å²	52.7	83%	0.83	26%	0.26	S	S	*	.	S	Bend	trans	-66.8	-17.7	174.3	-64.8	-173.5	-179	-170.2	1.3	113.3	R651 G654	R651-R656 PolarHBondContact NH2-O 2.92Å; G654-R656 PolarHBondContact O-N 2.86Å
657	E	89.8	Confident	93.9	Very high	87 Å²	87	55.9 Å²	55.9	41%	0.407	28%	0.28	S	S	.	.	S	Bend	trans	-109.7	-6.2	-174.1	-65.5	-174.4	-108.7	0	0	113.9	T82 D655 K659	T82-E657 WeakPolarHBondContact CB-O 3.27Å; T82-E657 WeakPolarHBondContact CG2-O 3.41Å; D655-E657 PolarHBondContact O-N 2.86Å; D655-E657 PolarHBondContact OD1-N 2.83Å; E657-K659 HydrophobicContact CB-CD 3.99Å; E657-K659 HydrophobicContact CB-CG 3.94Å; E657-K659 PolarHBondContact O-N 2.94Å; E657-K659 IonicContact OE1-NZ 3.38Å; E657-K659 PolarHBondContact OE1-NZ 3.24Å; E657-K659 WeakPolarHBondContact OE2-CE 3.46Å; E657-K659 IonicContact OE2-NZ 2.64Å; E657-K659 PolarHBondContact OE2-NZ 2.73Å
658	G	88.5	Confident	93.9	Very high	14 Å²	14	54.1 Å²	54.1	14%	0.144	27%	0.271	C	S	.	.			trans	65.3	20.8	-177.4	0	0	0	0	0	114	D655 H660 D661	D655-G658 VanDerWaalsContact CG-N 3.3Å; D655-G658 PolarHBondContact OD1-N 2.76Å; D655-G658 WeakPolarHBondContact OD2-CA 3.41Å; G658-H660 PolarHBondContact O-N 2.86Å; G658-D661 WeakPolarHBondContact CA-OD2 3.44Å; G658-D661 PolarHBondContact O-N 2.85Å
659	K	88.6	Confident	93.8	Very high	123 Å²	123	55.1 Å²	55.1	54%	0.535	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.7	-178.1	-79.5	172.5	170.6	161	0	113.7	D655 E657	D655-K659 PolarHBondContact OD1-N 2.84Å; D655-K659 PolarHBondContact OD2-N 2.77Å; E657-K659 HydrophobicContact CB-CD 3.99Å; E657-K659 HydrophobicContact CB-CG 3.94Å; E657-K659 PolarHBondContact O-N 2.94Å; E657-K659 IonicContact OE1-NZ 3.38Å; E657-K659 PolarHBondContact OE1-NZ 3.24Å; E657-K659 WeakPolarHBondContact OE2-CE 3.46Å; E657-K659 IonicContact OE2-NZ 2.64Å; E657-K659 PolarHBondContact OE2-NZ 2.73Å
660	H	87.2	Confident	93.7	Very high	107 Å²	107	52 Å²	52	50%	0.495	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	19.2	-177.1	-52.9	-55.7	0	0	0	111.7	D655 G658 H662	D655-H660 WeakPolarHBondContact OD2-CA 3.43Å; D655-H660 WeakPolarHBondContact OD2-CB 3.44Å; D655-H660 IonicContact OD2-CD2 3.19Å; D655-H660 IonicContact OD2-CG 2.73Å; D655-H660 PolarHBondContact OD2-N 3.46Å; G658-H660 PolarHBondContact O-N 2.86Å; H660-H662 PolarHBondContact O-N 2.74Å
661	D	91.9	Very high	93.5	Very high	28 Å²	28	52 Å²	52	15%	0.15	27%	0.266	C	S	.	.			trans	-68.8	129.1	177.9	-75	-2.6	0	0	0	110.9	R649 L650 R651 G658	R649-D661 HydrophobicContact CG-CB 4.11Å; R649-D661 IonicContact CZ-OD2 3.09Å; R649-D661 IonicContact NE-OD2 3.43Å; R649-D661 PolarHBondContact NE-OD2 3.37Å; R649-D661 IonicContact NH2-OD2 3.15Å; R649-D661 PolarHBondContact NH2-OD2 3.41Å; L650-D661 WeakPolarHBondContact O-CA 3.34Å; R651-D661 VanDerWaalsContact CA-OD1 3.31Å; R651-D661 WeakPolarHBondContact CA-OD1 3.31Å; R651-D661 WeakPolarHBondContact CG-OD1 3.33Å; G658-D661 WeakPolarHBondContact CA-OD2 3.44Å; G658-D661 PolarHBondContact O-N 2.85Å
662	H	95.8	Very high	93.1	Very high	31 Å²	31	50.8 Å²	50.8	14%	0.144	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130	-178.2	-64.8	-49.7	0	0	0	110.4	F445 R649 L650 H660	F445-H662 HydrophobicContact CD1-CB 3.66Å; F445-H662 AromaticContact CD1-CG 3.74Å; F445-H662 AromaticContact CD1-ND1 3.65Å; F445-H662 HydrophobicContact CD2-CB 4.01Å; F445-H662 HydrophobicContact CE1-CB 3.66Å; F445-H662 HydrophobicContact CE2-CB 4.01Å; F445-H662 HydrophobicContact CG-CB 3.81Å; F445-H662 AromaticContact CG-CG 3.74Å; F445-H662 AromaticContact CG-ND1 3.94Å; F445-H662 HydrophobicContact CZ-CB 3.82Å; R649-H662 WeakPolarHBondContact CA-O 3.22Å; L650-H662 HydrophobicContact CB-CB 4.24Å; L650-H662 HydrophobicContact CD1-CB 4.42Å; L650-H662 HydrophobicContact CG-CB 4.48Å; L650-H662 PolarHBondContact N-O 2.81Å; L650-H662 PolarHBondContact O-N 2.98Å; H660-H662 PolarHBondContact O-N 2.74Å
663	C	96.2	Very high	92.5	Very high	67 Å²	67	54 Å²	54	45%	0.453	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.7	-174.1	65.5	0	0	0	0	114.4	R443 F445 L648	R443-C663 PolarHBondContact NH1-O 2.9Å; F445-C663 VanDerWaalsContact CZ-O 3.31Å; F445-C663 WeakPolarHBondContact CZ-O 3.34Å; L648-C663 CarbonylContact O-C 3.58Å; L648-C663 VanDerWaalsContact O-CA 3.27Å; L648-C663 WeakPolarHBondContact O-CA 3.3Å
664	M	96.6	Very high	91.3	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.02	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.9	168.2	-57.7	173.6	66.6	0	0	108.7	L441 R443 F445 C460 L462 I647 L648	L441-M664 HydrophobicContact CB-CE 4.15Å; L441-M664 HydrophobicContact CD2-CB 4.13Å; L441-M664 HydrophobicContact CD2-CE 3.97Å; L441-M664 HydrophobicContact CG-CE 3.74Å; L441-M664 WeakPolarHBondContact O-CE 3.34Å; R443-M664 HydrophobicContact CB-CE 3.71Å; R443-M664 HydrophobicContact CB-CG 4.14Å; R443-M664 HydrophobicContact CB-SD 3.98Å; F445-M664 HydrophobicContact CE2-CG 4.14Å; F445-M664 HydrophobicContact CE2-SD 4.19Å; F445-M664 HydrophobicContact CZ-CG 3.7Å; F445-M664 HydrophobicContact CZ-SD 4.35Å; C460-M664 HydrophobicContact CB-SD 3.63Å; C460-M664 WeakPolarHBondContact O-CE 3.24Å; C460-M664 PolarHBondContact SG-SD 2.84Å; L462-M664 HydrophobicContact CB-CE 3.83Å; L462-M664 HydrophobicContact CB-SD 4.4Å; L462-M664 HydrophobicContact CD2-CB 4.2Å; I647-M664 CarbonylContact C-O 3.43Å; I647-M664 WeakPolarHBondContact CA-O 3.47Å; L648-M664 HydrophobicContact CB-CB 4.28Å; L648-M664 HydrophobicContact CD2-SD 4.03Å; L648-M664 PolarHBondContact N-O 3.1Å; L648-M664 PolarHBondContact O-N 2.84Å
665	Q	97	Very high	89.8	Confident	100 Å²	100	47.4 Å²	47.4	47%	0.467	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	132	-177	-172.8	175.8	13.9	0	0	109.7	L441 S645 L646 I647	L441-Q665 WeakPolarHBondContact CD2-O 3.5Å; S645-Q665 PolarHBondContact OG-NE2 3.25Å; L646-Q665 CarbonylContact O-C 3.6Å; L646-Q665 WeakPolarHBondContact O-CA 3.37Å; I647-Q665 HydrophobicContact CG1-CG 3.98Å
666	I	97.8	Very high	88.3	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.8	169.5	-67.2	-179.9	0	0	0	107.8	I439 L441 L462 V464 T467 S645 L646 I668	I439-I666 HydrophobicContact CG2-CD1 4.41Å; L441-I666 HydrophobicContact CB-CD1 4.11Å; L441-I666 HydrophobicContact CB-CG1 4.13Å; L441-I666 HydrophobicContact CD2-CG1 4.22Å; L462-I666 HydrophobicContact CD2-CD1 3.93Å; L462-I666 HydrophobicContact CD2-CG1 3.97Å; L462-I666 HydrophobicContact CG-CD1 3.79Å; L462-I666 HydrophobicContact CG-CG1 4.39Å; V464-I666 HydrophobicContact CG1-CD1 4.39Å; V464-I666 HydrophobicContact CG2-CD1 4.11Å; V464-I666 HydrophobicContact CG2-CG2 4.08Å; T467-I666 HydrophobicContact CG2-CG2 3.68Å; S645-I666 CarbonylContact C-O 3.57Å; S645-I666 VanDerWaalsContact CA-O 3.32Å; S645-I666 WeakPolarHBondContact CA-O 3.46Å; S645-I666 WeakPolarHBondContact CB-O 3.34Å; L646-I666 PolarHBondContact N-O 3.23Å; L646-I666 PolarHBondContact O-N 2.94Å; I666-I668 HydrophobicContact CG2-CD1 4.32Å
667	P	97.2	Very high	86.7	Confident	67 Å²	67	53 Å²	53	44%	0.435	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	140.7	173.2	29.9	-34.2	0	0	0	110.2	T467	T467-P667 WeakPolarHBondContact CG2-O 3.5Å
668	I	97.5	Very high	84.9	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.4	-179.6	-59.7	-63.3	0	0	0	107.9	T467 F469 I475 F496 Y644 L646 I666 I670	T467-I668 HydrophobicContact CG2-CD1 4.38Å; F469-I668 HydrophobicContact CD2-CG2 3.94Å; F469-I668 HydrophobicContact CE2-CD1 4.17Å; I475-I668 HydrophobicContact CD1-CG2 4.43Å; F496-I668 HydrophobicContact CE2-CB 4.09Å; F496-I668 HydrophobicContact CE2-CG1 4.19Å; F496-I668 HydrophobicContact CE2-CG2 3.91Å; F496-I668 HydrophobicContact CZ-CG2 4.38Å; Y644-I668 PolarHBondContact O-N 2.77Å; Y644-I668 VanDerWaalsContact O-O 3.12Å; L646-I668 HydrophobicContact CB-CD1 4.35Å; L646-I668 HydrophobicContact CB-CG1 4.15Å; I666-I668 HydrophobicContact CG2-CD1 4.32Å; I668-I670 HydrophobicContact CG2-CD1 3.86Å
669	T	96.4	Very high	82.9	Confident	21 Å²	21	52.1 Å²	52.1	13%	0.129	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.1	176.1	-54.4	0	0	0	0	109.1	L427 L429 L435 T467 G468 F469 S631	L427-T669 HydrophobicContact CD2-CG2 4.07Å; L429-T669 HydrophobicContact CD2-CG2 4Å; L435-T669 HydrophobicContact CD1-CG2 3.73Å; T467-T669 PolarHBondContact O-N 2.98Å; G468-T669 CarbonylContact C-O 3.56Å; G468-T669 WeakPolarHBondContact CA-O 3.42Å; F469-T669 PolarHBondContact N-O 2.8Å; S631-T669 WeakPolarHBondContact OG-CA 3.18Å
670	I	95.6	Very high	81.1	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.1	173.8	-56.2	-50.7	0	0	0	108.7	F469 P471 F496 V625 L628 T630 S631 Y644 I668	F469-I670 HydrophobicContact CB-CD1 4.2Å; F469-I670 CarbonylContact O-C 3.55Å; F469-I670 VanDerWaalsContact O-CA 3.28Å; F469-I670 WeakPolarHBondContact O-CA 3.46Å; P471-I670 HydrophobicContact CG-CG2 4.36Å; F496-I670 HydrophobicContact CZ-CD1 4.19Å; V625-I670 HydrophobicContact CG1-CD1 3.75Å; L628-I670 HydrophobicContact CB-CG2 4.21Å; L628-I670 HydrophobicContact CD1-CG1 4.43Å; T630-I670 CarbonylContact C-O 3.56Å; T630-I670 WeakPolarHBondContact CA-O 3.4Å; S631-I670 PolarHBondContact N-O 2.89Å; S631-I670 PolarHBondContact OG-N 3.18Å; Y644-I670 HydrophobicContact CD1-CG1 4.15Å; Y644-I670 HydrophobicContact CD2-CB 4.31Å; Y644-I670 HydrophobicContact CD2-CG1 3.79Å; Y644-I670 HydrophobicContact CE2-CB 4.38Å; Y644-I670 HydrophobicContact CE2-CG1 4.17Å; Y644-I670 HydrophobicContact CG-CG1 3.8Å; I668-I670 HydrophobicContact CG2-CD1 3.86Å
671	G	93.9	Very high	79.2	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.01	27%	0.269	C	S	.	.			trans	-100.4	174.2	173.2	0	0	0	0	0	112.7	L427 F469 P471	L427-G671 WeakPolarHBondContact O-CA 3.19Å; F469-G671 PolarHBondContact O-N 2.97Å; P471-G671 WeakPolarHBondContact CD-O 3.46Å
672	S	87.7	Confident	77.3	Confident	25 Å²	25	53.3 Å²	53.3	18%	0.175	28%	0.282	C	S	.	.	S	Bend	trans	-85.3	-45.2	168.5	51	0	0	0	0	111.3	P426 L427	P426-S672 WeakPolarHBondContact CA-OG 3.45Å; P426-S672 VanDerWaalsContact CB-OG 3.24Å; P426-S672 WeakPolarHBondContact CB-OG 3.49Å; L427-S672 PolarHBondContact N-OG 3.33Å; L427-S672 PolarHBondContact O-N 2.88Å
673	D	81.9	Confident	75.2	Confident	69 Å²	69	53.2 Å²	53.2	37%	0.369	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-113.9	126.8	-166.8	-65.3	-84.5	0	0	0	110.9	E428	E428-D673 HydrophobicContact CG-CB 4.34Å
674	P	69.2	Low	73.2	Confident	12 Å²	12	55.3 Å²	55.3	8%	0.078	29%	0.289	C	S	.	.			trans	-63.9	147.5	179.6	28.4	-34.8	0	0	0	109.2	V470 R676 F680 F721	V470-P674 HydrophobicContact CG2-CB 3.99Å; P674-R676 PolarHBondContact O-N 2.63Å; P674-F680 HydrophobicContact CB-CE2 4.33Å; P674-F680 HydrophobicContact CG-CE2 4.46Å; P674-F721 HydrophobicContact CG-CD2 3.81Å; P674-F721 HydrophobicContact CG-CE1 4.26Å; P674-F721 HydrophobicContact CG-CE2 3.44Å; P674-F721 VanDerWaalsContact CG-CE2 3.44Å; P674-F721 HydrophobicContact CG-CG 4.39Å; P674-F721 HydrophobicContact CG-CZ 3.68Å
675	T	60.3	Low	71.5	Confident	2 Å²	2	60 Å²	60	1%	0.012	31%	0.311	C	S	.	.			trans	-62.5	137.8	174.3	76.2	0	0	0	0	109.4	L429 I430 R436 E677 T678 S679	L429-T675 HydrophobicContact CB-CG2 3.49Å; L429-T675 VanDerWaalsContact CB-CG2 3.49Å; I430-T675 HydrophobicContact CG2-CG2 4.47Å; R436-T675 HydrophobicContact CG-CG2 3.94Å; T675-E677 PolarHBondContact O-N 2.96Å; T675-T678 CarbonylContact O-C 3.5Å; T675-T678 PolarHBondContact O-N 3.37Å; T675-T678 PolarHBondContact O-OG1 2.76Å; T675-T678 WeakPolarHBondContact OG1-CB 3.43Å; T675-T678 WeakPolarHBondContact OG1-CG2 3.43Å; T675-T678 PolarHBondContact OG1-N 2.82Å; T675-T678 VanDerWaalsContact OG1-N 3.11Å; T675-T678 PolarHBondContact OG1-OG1 3.19Å; T675-S679 WeakPolarHBondContact O-CB 3.3Å; T675-S679 PolarHBondContact O-N 3.37Å; T675-S679 PolarHBondContact O-OG 3.29Å
676	R	57.2	Low	69.7	Low	207 Å²	207	58.4 Å²	58.4	78%	0.781	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	1.2	-177.9	-68.8	-172	177.9	-157.9	1.6	115.7	I430 P674 S679	I430-R676 HydrophobicContact CG2-CG 4.45Å; P674-R676 PolarHBondContact O-N 2.63Å; R676-S679 VanDerWaalsContact CA-OG 3.29Å; R676-S679 WeakPolarHBondContact CA-OG 3.32Å; R676-S679 PolarHBondContact O-OG 3.38Å; R676-S679 VanDerWaalsContact O-OG 3.14Å
677	E	54.9	Low	67.9	Low	140 Å²	140	59.2 Å²	59.2	65%	0.654	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-27.2	177.9	-67.8	152.2	-104.3	0	0	112.3	R436 T675 S679	R436-E677 IonicContact CZ-OE1 2.95Å; R436-E677 VanDerWaalsContact CZ-OE1 3.24Å; R436-E677 IonicContact CZ-OE2 3.83Å; R436-E677 IonicContact NH1-OE1 2.64Å; R436-E677 PolarHBondContact NH1-OE1 3.17Å; R436-E677 IonicContact NH1-OE2 2.78Å; R436-E677 PolarHBondContact NH1-OE2 3.19Å; R436-E677 IonicContact NH2-OE1 3.74Å; R436-E677 PolarHBondContact NH2-OE1 2.71Å; T675-E677 PolarHBondContact O-N 2.96Å; E677-S679 VanDerWaalsContact C-N 3.29Å
678	T	51.8	Low	66	Low	43 Å²	43	58.4 Å²	58.4	26%	0.264	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.9	162.9	64	0	0	0	0	112.4	K466 T675 F680	K466-T678 HydrophobicContact CD-CG2 4.27Å; T675-T678 CarbonylContact O-C 3.5Å; T675-T678 PolarHBondContact O-N 3.37Å; T675-T678 PolarHBondContact O-OG1 2.76Å; T675-T678 WeakPolarHBondContact OG1-CB 3.43Å; T675-T678 WeakPolarHBondContact OG1-CG2 3.43Å; T675-T678 PolarHBondContact OG1-N 2.82Å; T675-T678 VanDerWaalsContact OG1-N 3.11Å; T675-T678 PolarHBondContact OG1-OG1 3.19Å; T678-F680 VanDerWaalsContact C-N 3.26Å; T678-F680 PolarHBondContact O-N 2.75Å
679	S	46.7	Very low	64.3	Low	39 Å²	39	58.3 Å²	58.3	27%	0.273	31%	0.307	S	S	.	.	S	Bend	trans	-69.4	81	174.8	61.6	0	0	0	0	111.4	T675 R676 E677 I681	T675-S679 WeakPolarHBondContact O-CB 3.3Å; T675-S679 PolarHBondContact O-N 3.37Å; T675-S679 PolarHBondContact O-OG 3.29Å; R676-S679 VanDerWaalsContact CA-OG 3.29Å; R676-S679 WeakPolarHBondContact CA-OG 3.32Å; R676-S679 PolarHBondContact O-OG 3.38Å; R676-S679 VanDerWaalsContact O-OG 3.14Å; E677-S679 VanDerWaalsContact C-N 3.29Å; S679-I681 PolarHBondContact O-N 2.94Å
680	F	50.7	Low	62.8	Low	59 Å²	59	59.7 Å²	59.7	26%	0.259	31%	0.311	S	S	.	.			trans	40.1	76.5	139.1	-46	-72.5	0	0	0	116.4	E473 P674 T678 G682 N683 F721	E473-F680 HydrophobicContact CG-CZ 3.96Å; P674-F680 HydrophobicContact CB-CE2 4.33Å; P674-F680 HydrophobicContact CG-CE2 4.46Å; T678-F680 VanDerWaalsContact C-N 3.26Å; T678-F680 PolarHBondContact O-N 2.75Å; F680-G682 PolarHBondContact O-N 3.14Å; F680-N683 HydrophobicContact CB-CB 3.5Å; F680-N683 VanDerWaalsContact CB-CB 3.5Å; F680-N683 WeakPolarHBondContact CB-ND2 3.16Å; F680-N683 WeakPolarHBondContact CD1-ND2 3.04Å; F680-N683 HydrophobicContact CG-CB 4.04Å; F680-N683 WeakPolarHBondContact CG-ND2 3.16Å; F680-N683 PolarHBondContact O-N 2.87Å; F680-F721 HydrophobicContact CD2-CB 3.65Å; F680-F721 HydrophobicContact CD2-CD1 4.13Å; F680-F721 AromaticContact CD2-CG 4Å; F680-F721 HydrophobicContact CD2-CG 4Å; F680-F721 HydrophobicContact CE2-CB 3.35Å; F680-F721 HydrophobicContact CE2-CD1 4.35Å; F680-F721 HydrophobicContact CE2-CD2 4.33Å; F680-F721 AromaticContact CE2-CG 3.78Å; F680-F721 HydrophobicContact CE2-CG 3.78Å; F680-F721 HydrophobicContact CZ-CB 4.04Å
681	I	47.2	Very low	61.3	Low	184 Å²	184	59.7 Å²	59.7	94%	0.944	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	85.2	170.7	-54.9	175.2	0	0	0	108.7	S679	S679-I681 PolarHBondContact O-N 2.94Å
682	G	50.9	Low	59.8	Low	40 Å²	40	60.1 Å²	60.1	41%	0.412	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	136.3	-14.3	-173.5	0	0	0	0	0	116.4	F680 K724	F680-G682 PolarHBondContact O-N 3.14Å; G682-K724 WeakPolarHBondContact O-CB 3.46Å; G682-K724 VanDerWaalsContact O-CD 3.28Å; G682-K724 WeakPolarHBondContact O-CD 3.18Å
683	N	52.6	Low	58.4	Low	29 Å²	29	59.4 Å²	59.4	16%	0.155	31%	0.308	C	S	.	.			trans	-109.8	82.8	-179.3	-50.6	-22.8	0	0	0	111.8	F680 E685 K722 P723 K724	F680-N683 HydrophobicContact CB-CB 3.5Å; F680-N683 VanDerWaalsContact CB-CB 3.5Å; F680-N683 WeakPolarHBondContact CB-ND2 3.16Å; F680-N683 WeakPolarHBondContact CD1-ND2 3.04Å; F680-N683 HydrophobicContact CG-CB 4.04Å; F680-N683 WeakPolarHBondContact CG-ND2 3.16Å; F680-N683 PolarHBondContact O-N 2.87Å; N683-E685 PolarHBondContact O-N 3.49Å; N683-K722 WeakPolarHBondContact CB-O 3.28Å; N683-P723 WeakPolarHBondContact ND2-CA 3.22Å; N683-P723 WeakPolarHBondContact OD1-CA 3.31Å; N683-K724 PolarHBondContact OD1-N 3.08Å
684	D	53.8	Low	57.6	Low	112 Å²	112	58.9 Å²	58.9	60%	0.599	31%	0.305	S	S	*	.			trans	-75.3	-10.6	177	-34.1	-68.4	0	0	0	113	V686 K724	D684-V686 PolarHBondContact O-N 3.04Å; D684-K724 IonicContact OD2-NZ 3.42Å; D684-K724 PolarHBondContact OD2-NZ 2.85Å
685	E	60.9	Low	56.8	Low	102 Å²	102	61.8 Å²	61.8	48%	0.477	32%	0.316	S	S	.	.			trans	-95.3	99.8	-167.5	-156	-176.2	161	0	0	112.5	N683 V687 K722	N683-E685 PolarHBondContact O-N 3.49Å; E685-V687 HydrophobicContact CB-CG2 4.29Å; E685-V687 HydrophobicContact CG-CG2 3.65Å; E685-V687 PolarHBondContact O-N 2.9Å; E685-V687 WeakPolarHBondContact OE1-CG2 3.45Å; E685-K722 PolarHBondContact O-N 2.86Å
686	V	58.6	Low	56.3	Low	67 Å²	67	64.8 Å²	64.8	41%	0.406	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	99.2	164.8	-179.4	0	0	0	0	108.4	D684 R719 F721	D684-V686 PolarHBondContact O-N 3.04Å; V686-R719 HydrophobicContact CG1-CB 3.77Å; V686-R719 HydrophobicContact CG1-CG 4.31Å; V686-F721 HydrophobicContact CG2-CD1 3.91Å; V686-F721 HydrophobicContact CG2-CE1 3.46Å; V686-F721 VanDerWaalsContact CG2-CE1 3.46Å; V686-F721 HydrophobicContact CG2-CE2 4.3Å; V686-F721 HydrophobicContact CG2-CZ 3.67Å
687	V	60.6	Low	56.4	Low	20 Å²	20	58.1 Å²	58.1	12%	0.121	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.6	-178.9	178.9	0	0	0	0	109.8	E685 C689 Y720 K722	E685-V687 HydrophobicContact CB-CG2 4.29Å; E685-V687 HydrophobicContact CG-CG2 3.65Å; E685-V687 PolarHBondContact O-N 2.9Å; E685-V687 WeakPolarHBondContact OE1-CG2 3.45Å; V687-C689 PolarHBondContact O-N 3.43Å; V687-Y720 HydrophobicContact CB-CD1 3.98Å; V687-Y720 HydrophobicContact CB-CE1 3.72Å; V687-Y720 HydrophobicContact CG1-CD1 4.28Å; V687-Y720 HydrophobicContact CG1-CE1 3.61Å; V687-Y720 PolarHBondContact N-O 2.98Å; V687-Y720 WeakPolarHBondContact O-CD1 3.27Å; V687-Y720 PolarHBondContact O-N 2.83Å; V687-K722 HydrophobicContact CB-CB 4.03Å; V687-K722 HydrophobicContact CG2-CB 3.42Å; V687-K722 VanDerWaalsContact CG2-CB 3.42Å; V687-K722 HydrophobicContact CG2-CD 3.84Å; V687-K722 HydrophobicContact CG2-CG 4.28Å
688	P	58.4	Low	56.2	Low	50 Å²	50	52.7 Å²	52.7	33%	0.325	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	116.5	166.2	25.2	-32.2	0	0	0	109.4	Y690 P716	P688-Y690 HydrophobicContact CB-CE2 3.97Å; P688-Y690 HydrophobicContact CG-CE2 3.91Å; P688-Y690 WeakPolarHBondContact O-CD2 3.47Å; P688-Y690 WeakPolarHBondContact O-CE2 3.39Å; P688-P716 HydrophobicContact CB-CB 3.62Å; P688-P716 HydrophobicContact CB-CG 3.93Å
689	C	60.8	Low	56.5	Low	2 Å²	2	53.8 Å²	53.8	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.1	174.6	-154.5	0	0	0	0	109.9	V687 A691 P716 V717 Y718 Y720	V687-C689 PolarHBondContact O-N 3.43Å; C689-A691 VanDerWaalsContact C-N 3.34Å; C689-A691 VanDerWaalsContact SG-CB 3.55Å; C689-P716 CarbonylContact O-C 3.48Å; C689-P716 VanDerWaalsContact O-CA 3.22Å; C689-P716 WeakPolarHBondContact O-CA 3.48Å; C689-P716 WeakPolarHBondContact O-CB 3.43Å; C689-V717 PolarHBondContact O-N 3.06Å; C689-Y718 HydrophobicContact CB-CD1 3.64Å; C689-Y718 HydrophobicContact CB-CD2 4.12Å; C689-Y718 HydrophobicContact CB-CE1 3.31Å; C689-Y718 HydrophobicContact CB-CE2 3.85Å; C689-Y718 HydrophobicContact CB-CG 4.04Å; C689-Y718 VanDerWaalsContact CB-CZ 3.45Å; C689-Y718 PolarHBondContact N-O 2.79Å; C689-Y718 WeakPolarHBondContact SG-CE1 3.14Å; C689-Y718 PolarHBondContact SG-OH 3.46Å; C689-Y720 HydrophobicContact CB-CD1 3.41Å; C689-Y720 VanDerWaalsContact CB-CD1 3.41Å; C689-Y720 HydrophobicContact CB-CE1 3.76Å; C689-Y720 HydrophobicContact CB-CG 4.14Å
690	Y	65.5	Low	57.1	Low	50 Å²	50	55.1 Å²	55.1	20%	0.196	32%	0.315	C	S	.	.			trans	-91	-2.4	173.6	-58.7	-76.3	0	0	0	112.4	P688 Y703 P705 L714 P716	P688-Y690 HydrophobicContact CB-CE2 3.97Å; P688-Y690 HydrophobicContact CG-CE2 3.91Å; P688-Y690 WeakPolarHBondContact O-CD2 3.47Å; P688-Y690 WeakPolarHBondContact O-CE2 3.39Å; Y690-Y703 VanDerWaalsContact O-CD2 3.24Å; Y690-Y703 WeakPolarHBondContact O-CD2 3.45Å; Y690-P705 HydrophobicContact CD2-CB 4.25Å; Y690-P705 HydrophobicContact CD2-CG 3.97Å; Y690-P705 HydrophobicContact CE2-CB 3.95Å; Y690-P705 HydrophobicContact CE2-CG 3.63Å; Y690-L714 HydrophobicContact CD1-CB 3.5Å; Y690-L714 HydrophobicContact CD1-CD1 4.4Å; Y690-L714 HydrophobicContact CE1-CB 3.97Å; Y690-L714 WeakPolarHBondContact CE1-O 3.44Å; Y690-L714 HydrophobicContact CG-CB 4.17Å; Y690-L714 HydrophobicContact CG-CD1 4.25Å; Y690-P716 HydrophobicContact CD1-CB 4.15Å; Y690-P716 HydrophobicContact CE1-CB 3.96Å; Y690-P716 HydrophobicContact CE1-CG 4.27Å
691	A	63	Low	57.9	Low	1 Å²	1	55.8 Å²	55.8	1%	0.008	32%	0.321	C	S	.	.			trans	-67.4	134.5	-169	0	0	0	0	0	113	C689 I700 I701 E702	C689-A691 VanDerWaalsContact C-N 3.34Å; C689-A691 VanDerWaalsContact SG-CB 3.55Å; A691-I700 HydrophobicContact CB-CG2 3.68Å; A691-I701 WeakPolarHBondContact CA-O 3.38Å; A691-I701 WeakPolarHBondContact CB-O 3.45Å; A691-E702 HydrophobicContact CB-CB 4.46Å; A691-E702 HydrophobicContact CB-CG 4.08Å
692	S	62.6	Low	59	Low	10 Å²	10	52.9 Å²	52.9	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	153.7	164.4	66.5	0	0	0	0	109.6	I701 Y703	S692-I701 PolarHBondContact N-O 3.48Å; S692-I701 PolarHBondContact O-N 2.82Å; S692-Y703 VanDerWaalsContact OG-CE2 3.32Å; S692-Y703 WeakPolarHBondContact OG-CE2 3.31Å; S692-Y703 PolarHBondContact OG-OH 2.92Å
693	F	59.6	Low	60	Low	10 Å²	10	53.6 Å²	53.6	4%	0.044	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.8	170.2	-179.5	-104.1	0	0	0	108.3	I516 P626 P627 F695 G698 I700	I516-F693 HydrophobicContact CG2-CE1 4.08Å; I516-F693 HydrophobicContact CG2-CE2 4.29Å; I516-F693 HydrophobicContact CG2-CZ 3.67Å; I516-F693 WeakPolarHBondContact O-CZ 3.4Å; P626-F693 HydrophobicContact CB-CB 4.26Å; P626-F693 HydrophobicContact CB-CD2 3.4Å; P626-F693 HydrophobicContact CB-CE2 3.86Å; P626-F693 HydrophobicContact CB-CG 3.87Å; P626-F693 HydrophobicContact CG-CD2 3.87Å; P626-F693 HydrophobicContact CG-CE2 3.85Å; P626-F693 HydrophobicContact CG-CG 4.3Å; P626-F693 HydrophobicContact CG-CZ 4.3Å; P627-F693 HydrophobicContact CG-CB 4.07Å; F693-F695 AromaticContact CD1-CD1 3.77Å; F693-F695 HydrophobicContact CD1-CD1 3.77Å; F693-F695 HydrophobicContact CD1-CD2 4.05Å; F693-F695 AromaticContact CD1-CE1 3.77Å; F693-F695 HydrophobicContact CD1-CE1 3.77Å; F693-F695 HydrophobicContact CD1-CE2 4.05Å; F693-F695 AromaticContact CD1-CG 3.91Å; F693-F695 HydrophobicContact CD1-CG 3.91Å; F693-F695 AromaticContact CD1-CZ 3.91Å; F693-F695 HydrophobicContact CD1-CZ 3.91Å; F693-F695 AromaticContact CE1-CD1 3.69Å; F693-F695 HydrophobicContact CE1-CD1 3.69Å; F693-F695 AromaticContact CE1-CE1 3.98Å; F693-F695 HydrophobicContact CE1-CE1 3.98Å; F693-F695 HydrophobicContact CE1-CG 4.05Å; F693-F695 WeakPolarHBondContact O-CD2 3.37Å; F693-F695 PolarHBondContact O-N 3.37Å; F693-G698 WeakPolarHBondContact CE2-O 3.42Å; F693-I700 HydrophobicContact CD2-CG1 4.01Å
694	D	63.5	Low	61.1	Low	57 Å²	57	55.9 Å²	55.9	31%	0.305	31%	0.306	S	S	.	.			trans	-83.3	104.5	174.8	171.3	32.5	0	0	0	109.8	A696 S697 G698 D699 I701	D694-A696 PolarHBondContact O-N 2.78Å; D694-A696 VanDerWaalsContact O-N 3.1Å; D694-A696 WeakPolarHBondContact OD1-CB 3.37Å; D694-A696 PolarHBondContact OD1-N 2.72Å; D694-S697 WeakPolarHBondContact CB-OG 3.42Å; D694-S697 VanDerWaalsContact CG-OG 3.32Å; D694-S697 PolarHBondContact O-N 3.35Å; D694-S697 WeakPolarHBondContact OD2-CB 3.27Å; D694-S697 PolarHBondContact OD2-N 3.44Å; D694-S697 PolarHBondContact OD2-OG 2.98Å; D694-G698 WeakPolarHBondContact O-CA 3.48Å; D694-G698 PolarHBondContact O-N 2.91Å; D694-D699 PolarHBondContact N-O 2.83Å; D694-I701 HydrophobicContact CB-CD1 4.1Å
695	F	52.9	Low	61.8	Low	74 Å²	74	54 Å²	54	33%	0.325	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.4	177.2	-66.2	-89.7	0	0	0	114.1	F693	F693-F695 AromaticContact CD1-CD1 3.77Å; F693-F695 HydrophobicContact CD1-CD1 3.77Å; F693-F695 HydrophobicContact CD1-CD2 4.05Å; F693-F695 AromaticContact CD1-CE1 3.77Å; F693-F695 HydrophobicContact CD1-CE1 3.77Å; F693-F695 HydrophobicContact CD1-CE2 4.05Å; F693-F695 AromaticContact CD1-CG 3.91Å; F693-F695 HydrophobicContact CD1-CG 3.91Å; F693-F695 AromaticContact CD1-CZ 3.91Å; F693-F695 HydrophobicContact CD1-CZ 3.91Å; F693-F695 AromaticContact CE1-CD1 3.69Å; F693-F695 HydrophobicContact CE1-CD1 3.69Å; F693-F695 AromaticContact CE1-CE1 3.98Å; F693-F695 HydrophobicContact CE1-CE1 3.98Å; F693-F695 HydrophobicContact CE1-CG 4.05Å; F693-F695 WeakPolarHBondContact O-CD2 3.37Å; F693-F695 PolarHBondContact O-N 3.37Å
696	A	50.7	Low	62.6	Low	65 Å²	65	53.6 Å²	53.6	54%	0.537	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-42.4	177	0	0	0	0	0	113.3	D694	D694-A696 PolarHBondContact O-N 2.78Å; D694-A696 VanDerWaalsContact O-N 3.1Å; D694-A696 WeakPolarHBondContact OD1-CB 3.37Å; D694-A696 PolarHBondContact OD1-N 2.72Å
697	S	58.5	Low	63.3	Low	66 Å²	66	56.5 Å²	56.5	46%	0.462	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-34.2	175.3	56.1	0	0	0	0	113.7	D694 D699	D694-S697 WeakPolarHBondContact CB-OG 3.42Å; D694-S697 VanDerWaalsContact CG-OG 3.32Å; D694-S697 PolarHBondContact O-N 3.35Å; D694-S697 WeakPolarHBondContact OD2-CB 3.27Å; D694-S697 PolarHBondContact OD2-N 3.44Å; D694-S697 PolarHBondContact OD2-OG 2.98Å; S697-D699 VanDerWaalsContact C-N 3.33Å; S697-D699 PolarHBondContact OG-N 3.5Å
698	G	51.4	Low	63.4	Low	26 Å²	26	58 Å²	58	27%	0.268	33%	0.328	S	S	.	.			trans	81.6	8	-166.1	0	0	0	0	0	114	F693 D694	F693-G698 WeakPolarHBondContact CE2-O 3.42Å; D694-G698 WeakPolarHBondContact O-CA 3.48Å; D694-G698 PolarHBondContact O-N 2.91Å
699	D	57.3	Low	63.6	Low	66 Å²	66	58.5 Å²	58.5	35%	0.353	33%	0.332	S	S	.	.			trans	-88.3	151.4	177.7	-69	-43.3	0	0	0	111.9	S553 D694 S697	S553-D699 WeakPolarHBondContact CB-OD1 3.45Å; S553-D699 PolarHBondContact OG-OD1 2.82Å; S553-D699 PolarHBondContact OG-OD2 2.87Å; D694-D699 PolarHBondContact N-O 2.83Å; S697-D699 VanDerWaalsContact C-N 3.33Å; S697-D699 PolarHBondContact OG-N 3.5Å
700	I	59.6	Low	63.8	Low	67 Å²	67	65.1 Å²	65.1	34%	0.344	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.3	173.6	-62.8	171.3	0	0	0	108.5	P626 A691 F693 E702	P626-I700 HydrophobicContact CB-CD1 4.05Å; P626-I700 HydrophobicContact CB-CG1 4.12Å; A691-I700 HydrophobicContact CB-CG2 3.68Å; F693-I700 HydrophobicContact CD2-CG1 4.01Å; I700-E702 HydrophobicContact CG2-CG 4.3Å; I700-E702 PolarHBondContact O-N 3.05Å
701	I	68.5	Low	63	Low	73 Å²	73	66.8 Å²	66.8	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	88	-179.9	-54.6	177.2	0	0	0	108.3	A691 S692 D694 Y703	A691-I701 WeakPolarHBondContact CA-O 3.38Å; A691-I701 WeakPolarHBondContact CB-O 3.45Å; S692-I701 PolarHBondContact N-O 3.48Å; S692-I701 PolarHBondContact O-N 2.82Å; D694-I701 HydrophobicContact CB-CD1 4.1Å; I701-Y703 HydrophobicContact CB-CE2 4.4Å; I701-Y703 HydrophobicContact CG2-CD1 4.47Å; I701-Y703 HydrophobicContact CG2-CD2 4.48Å; I701-Y703 HydrophobicContact CG2-CE1 4.03Å; I701-Y703 HydrophobicContact CG2-CE2 4.04Å; I701-Y703 VanDerWaalsContact O-CD2 3.28Å; I701-Y703 WeakPolarHBondContact O-CD2 3.42Å; I701-Y703 WeakPolarHBondContact O-CE2 3.29Å; I701-Y703 PolarHBondContact O-N 3.35Å
702	E	69.1	Low	62.6	Low	124 Å²	124	69.5 Å²	69.5	58%	0.579	41%	0.408	S	S	*	.			trans	-69.4	113.9	171.9	-67.2	-160.6	156.6	0	0	110.6	A691 I700 Y720	A691-E702 HydrophobicContact CB-CB 4.46Å; A691-E702 HydrophobicContact CB-CG 4.08Å; I700-E702 HydrophobicContact CG2-CG 4.3Å; I700-E702 PolarHBondContact O-N 3.05Å; E702-Y720 PolarHBondContact OE1-OH 3.47Å
703	Y	73.2	Confident	62.1	Low	54 Å²	54	71.6 Å²	71.6	21%	0.212	42%	0.423	C	S	.	.			trans	-90.4	123.6	170.4	-50.9	-98.5	0	0	0	110.2	Y690 S692 I701 P705 L714 N1296	Y690-Y703 VanDerWaalsContact O-CD2 3.24Å; Y690-Y703 WeakPolarHBondContact O-CD2 3.45Å; S692-Y703 VanDerWaalsContact OG-CE2 3.32Å; S692-Y703 WeakPolarHBondContact OG-CE2 3.31Å; S692-Y703 PolarHBondContact OG-OH 2.92Å; I701-Y703 HydrophobicContact CB-CE2 4.4Å; I701-Y703 HydrophobicContact CG2-CD1 4.47Å; I701-Y703 HydrophobicContact CG2-CD2 4.48Å; I701-Y703 HydrophobicContact CG2-CE1 4.03Å; I701-Y703 HydrophobicContact CG2-CE2 4.04Å; I701-Y703 VanDerWaalsContact O-CD2 3.28Å; I701-Y703 WeakPolarHBondContact O-CD2 3.42Å; I701-Y703 WeakPolarHBondContact O-CE2 3.29Å; I701-Y703 PolarHBondContact O-N 3.35Å; Y703-P705 WeakPolarHBondContact O-CD 3.35Å; Y703-L714 HydrophobicContact CG-CD2 4.47Å; Y703-N1296 PolarHBondContact OH-OD1 2.82Å
704	D	75.5	Confident	61.9	Low	78 Å²	78	72.6 Å²	72.6	42%	0.417	43%	0.428	S	S	.	.			trans	-79.2	117.4	173.1	-175.1	-22.8	0	0	0	110.2	S706 N707	D704-S706 VanDerWaalsContact CG-OG 3.23Å; D704-S706 PolarHBondContact O-N 2.86Å; D704-S706 VanDerWaalsContact OD1-CB 3.3Å; D704-S706 WeakPolarHBondContact OD1-CB 3.41Å; D704-S706 PolarHBondContact OD1-N 2.83Å; D704-S706 PolarHBondContact OD1-OG 3.24Å; D704-S706 PolarHBondContact OD2-OG 2.91Å; D704-N707 HydrophobicContact CB-CB 4.32Å; D704-N707 WeakPolarHBondContact CB-ND2 3.43Å; D704-N707 VanDerWaalsContact CG-ND2 3.29Å; D704-N707 PolarHBondContact O-N 3.47Å; D704-N707 PolarHBondContact OD2-ND2 3.07Å
705	P	68.5	Low	61.4	Low	72 Å²	72	73.7 Å²	73.7	47%	0.468	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.3	-179.4	31.3	-38.7	0	0	0	113.6	Y690 Y703 L714	Y690-P705 HydrophobicContact CD2-CB 4.25Å; Y690-P705 HydrophobicContact CD2-CG 3.97Å; Y690-P705 HydrophobicContact CE2-CB 3.95Å; Y690-P705 HydrophobicContact CE2-CG 3.63Å; Y703-P705 WeakPolarHBondContact O-CD 3.35Å; P705-L714 HydrophobicContact CB-CD1 4.5Å
706	S	77.2	Confident	61.2	Low	93 Å²	93	72.6 Å²	72.6	65%	0.65	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-21.2	176	73.3	0	0	0	0	113.7	D704	D704-S706 VanDerWaalsContact CG-OG 3.23Å; D704-S706 PolarHBondContact O-N 2.86Å; D704-S706 VanDerWaalsContact OD1-CB 3.3Å; D704-S706 WeakPolarHBondContact OD1-CB 3.41Å; D704-S706 PolarHBondContact OD1-N 2.83Å; D704-S706 PolarHBondContact OD1-OG 3.24Å; D704-S706 PolarHBondContact OD2-OG 2.91Å
707	N	72.6	Confident	61.2	Low	128 Å²	128	71.7 Å²	71.7	68%	0.684	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-9.9	-178.5	-69.9	-48.1	0	0	0	113.7	D704	D704-N707 HydrophobicContact CB-CB 4.32Å; D704-N707 WeakPolarHBondContact CB-ND2 3.43Å; D704-N707 VanDerWaalsContact CG-ND2 3.29Å; D704-N707 PolarHBondContact O-N 3.47Å; D704-N707 PolarHBondContact OD2-ND2 3.07Å
708	Q	62.8	Low	60.8	Low	53 Å²	53	70.3 Å²	70.3	25%	0.248	41%	0.41	C	S	.	.	S	Bend	trans	-83.2	146.7	-179.8	-65.2	-138.3	-6.1	0	0	113	L714	Q708-L714 HydrophobicContact CG-CD1 3.91Å; Q708-L714 HydrophobicContact CG-CG 4.41Å
709	S	62.4	Low	60.7	Low	59 Å²	59	77.8 Å²	77.8	41%	0.413	43%	0.43	S	S	.	.			trans	-63.1	144.4	174.4	79.8	0	0	0	0	110.7	S711 L712	S709-S711 PolarHBondContact O-N 2.86Å; S709-S711 PolarHBondContact OG-OG 3.36Å; S709-L712 PolarHBondContact O-N 3.04Å
710	P	65.2	Low	60.6	Low	142 Å²	142	75.9 Å²	75.9	92%	0.922	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	14.9	-176.8	29.1	-37	0	0	0	115
711	S	48.4	Very low	60.3	Low	85 Å²	85	75.2 Å²	75.2	59%	0.594	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-8.8	169.2	68.9	0	0	0	0	113.5	S709	S709-S711 PolarHBondContact O-N 2.86Å; S709-S711 PolarHBondContact OG-OG 3.36Å
712	L	55.1	Low	59.7	Low	57 Å²	57	76 Å²	76	30%	0.298	41%	0.414	S	S	.	.			trans	-119.4	91	-178.6	-69.9	168.6	0	0	0	109.6	S709 L714 C1297	S709-L712 PolarHBondContact O-N 3.04Å; L712-L714 PolarHBondContact O-N 2.81Å; L712-L714 VanDerWaalsContact O-N 3.08Å; L712-C1297 HydrophobicContact CD2-CB 4.38Å; L712-C1297 WeakPolarHBondContact CD2-SG 3.47Å
713	S	53.3	Low	58.8	Low	55 Å²	55	73 Å²	73	39%	0.385	41%	0.405	S	S	.	.			trans	-78.8	87.8	172.3	54.1	0	0	0	0	109.7	T715 P1298	S713-T715 PolarHBondContact O-N 3.24Å; S713-P1298 WeakPolarHBondContact O-CD 3.04Å; S713-P1298 WeakPolarHBondContact O-CG 3.47Å; S713-P1298 PolarHBondContact OG-O 2.81Å
714	L	54	Low	58	Low	30 Å²	30	75.4 Å²	75.4	16%	0.157	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-52.1	128.3	168.4	-67.5	173.2	0	0	0	109.5	Y690 Y703 P705 Q708 L712	Y690-L714 HydrophobicContact CD1-CB 3.5Å; Y690-L714 HydrophobicContact CD1-CD1 4.4Å; Y690-L714 HydrophobicContact CE1-CB 3.97Å; Y690-L714 WeakPolarHBondContact CE1-O 3.44Å; Y690-L714 HydrophobicContact CG-CB 4.17Å; Y690-L714 HydrophobicContact CG-CD1 4.25Å; Y703-L714 HydrophobicContact CG-CD2 4.47Å; P705-L714 HydrophobicContact CB-CD1 4.5Å; Q708-L714 HydrophobicContact CG-CD1 3.91Å; Q708-L714 HydrophobicContact CG-CG 4.41Å; L712-L714 PolarHBondContact O-N 2.81Å; L712-L714 VanDerWaalsContact O-N 3.08Å
715	T	53.9	Low	56.9	Low	80 Å²	80	75.5 Å²	75.5	49%	0.491	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-101.4	134.7	171.2	-55.2	0	0	0	0	106.9	S713 V717	S713-T715 PolarHBondContact O-N 3.24Å; T715-V717 PolarHBondContact O-N 3.4Å
716	P	47.5	Very low	56.1	Low	51 Å²	51	78.5 Å²	78.5	33%	0.331	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-69.4	122.6	-179.5	27.2	-31.2	0	0	0	109.8	P688 C689 Y690 Y718	P688-P716 HydrophobicContact CB-CB 3.62Å; P688-P716 HydrophobicContact CB-CG 3.93Å; C689-P716 CarbonylContact O-C 3.48Å; C689-P716 VanDerWaalsContact O-CA 3.22Å; C689-P716 WeakPolarHBondContact O-CA 3.48Å; C689-P716 WeakPolarHBondContact O-CB 3.43Å; Y690-P716 HydrophobicContact CD1-CB 4.15Å; Y690-P716 HydrophobicContact CE1-CB 3.96Å; Y690-P716 HydrophobicContact CE1-CG 4.27Å; P716-Y718 PolarHBondContact O-N 2.79Å
717	V	51.8	Low	54.9	Low	47 Å²	47	82.2 Å²	82.2	29%	0.285	44%	0.439	S	S	.	.	S	Bend	trans	-64.3	-31.1	178.9	176.2	0	0	0	0	110.4	P627 C689 T715 W1295	P627-V717 HydrophobicContact CB-CG1 4.47Å; C689-V717 PolarHBondContact O-N 3.06Å; T715-V717 PolarHBondContact O-N 3.4Å; V717-W1295 HydrophobicContact CG1-CE3 4.22Å; V717-W1295 HydrophobicContact CG1-CH2 4.16Å; V717-W1295 HydrophobicContact CG1-CZ3 3.69Å; V717-W1295 HydrophobicContact CG2-CE3 4.34Å
718	Y	49.7	Very low	53.7	Low	37 Å²	37	81.8 Å²	81.8	15%	0.145	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	173.7	177.6	66.3	-66.6	0	0	0	110.1	P471 P627 C689 P716	P471-Y718 HydrophobicContact CB-CD2 3.62Å; P471-Y718 HydrophobicContact CB-CE2 3.43Å; P471-Y718 VanDerWaalsContact CB-CE2 3.43Å; P471-Y718 HydrophobicContact CG-CD2 4.44Å; P627-Y718 HydrophobicContact CB-CD1 3.58Å; P627-Y718 HydrophobicContact CB-CE1 3.42Å; P627-Y718 VanDerWaalsContact CB-CE1 3.42Å; P627-Y718 HydrophobicContact CB-CG 4.25Å; P627-Y718 HydrophobicContact CG-CD1 4.25Å; P627-Y718 HydrophobicContact CG-CE1 3.62Å; C689-Y718 HydrophobicContact CB-CD1 3.64Å; C689-Y718 HydrophobicContact CB-CD2 4.12Å; C689-Y718 HydrophobicContact CB-CE1 3.31Å; C689-Y718 HydrophobicContact CB-CE2 3.85Å; C689-Y718 HydrophobicContact CB-CG 4.04Å; C689-Y718 VanDerWaalsContact CB-CZ 3.45Å; C689-Y718 PolarHBondContact N-O 2.79Å; C689-Y718 WeakPolarHBondContact SG-CE1 3.14Å; C689-Y718 PolarHBondContact SG-OH 3.46Å; P716-Y718 PolarHBondContact O-N 2.79Å
719	R	50	Low	52.9	Low	182 Å²	182	83.6 Å²	83.6	69%	0.687	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.1	168.1	-63.8	-177.6	-175.7	179.7	2.9	109	V686	V686-R719 HydrophobicContact CG1-CB 3.77Å; V686-R719 HydrophobicContact CG1-CG 4.31Å
720	Y	53.8	Low	52.3	Low	26 Å²	26	88.1 Å²	88.1	10%	0.102	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.4	177.1	81	-58.1	0	0	0	111.1	V687 C689 E702 K722	V687-Y720 HydrophobicContact CB-CD1 3.98Å; V687-Y720 HydrophobicContact CB-CE1 3.72Å; V687-Y720 HydrophobicContact CG1-CD1 4.28Å; V687-Y720 HydrophobicContact CG1-CE1 3.61Å; V687-Y720 PolarHBondContact N-O 2.98Å; V687-Y720 WeakPolarHBondContact O-CD1 3.27Å; V687-Y720 PolarHBondContact O-N 2.83Å; C689-Y720 HydrophobicContact CB-CD1 3.41Å; C689-Y720 VanDerWaalsContact CB-CD1 3.41Å; C689-Y720 HydrophobicContact CB-CE1 3.76Å; C689-Y720 HydrophobicContact CB-CG 4.14Å; E702-Y720 PolarHBondContact OE1-OH 3.47Å; Y720-K722 HydrophobicContact CE2-CB 4.48Å; Y720-K722 PolarHBondContact O-N 3.15Å
721	F	53.8	Low	51.3	Low	54 Å²	54	88 Å²	88	24%	0.237	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	103.9	178.6	-70.5	-104.1	0	0	0	108.1	P674 F680 V686	P674-F721 HydrophobicContact CG-CD2 3.81Å; P674-F721 HydrophobicContact CG-CE1 4.26Å; P674-F721 HydrophobicContact CG-CE2 3.44Å; P674-F721 VanDerWaalsContact CG-CE2 3.44Å; P674-F721 HydrophobicContact CG-CG 4.39Å; P674-F721 HydrophobicContact CG-CZ 3.68Å; F680-F721 HydrophobicContact CD2-CB 3.65Å; F680-F721 HydrophobicContact CD2-CD1 4.13Å; F680-F721 AromaticContact CD2-CG 4Å; F680-F721 HydrophobicContact CD2-CG 4Å; F680-F721 HydrophobicContact CE2-CB 3.35Å; F680-F721 HydrophobicContact CE2-CD1 4.35Å; F680-F721 HydrophobicContact CE2-CD2 4.33Å; F680-F721 AromaticContact CE2-CG 3.78Å; F680-F721 HydrophobicContact CE2-CG 3.78Å; F680-F721 HydrophobicContact CZ-CB 4.04Å; V686-F721 HydrophobicContact CG2-CD1 3.91Å; V686-F721 HydrophobicContact CG2-CE1 3.46Å; V686-F721 VanDerWaalsContact CG2-CE1 3.46Å; V686-F721 HydrophobicContact CG2-CE2 4.3Å; V686-F721 HydrophobicContact CG2-CZ 3.67Å
722	K	57.1	Low	51.2	Low	90 Å²	90	92 Å²	92	39%	0.391	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-78.1	131.3	-175.2	-173	170.3	-175.4	165.6	0	110	N683 E685 V687 Y720 K724	N683-K722 WeakPolarHBondContact CB-O 3.28Å; E685-K722 PolarHBondContact O-N 2.86Å; V687-K722 HydrophobicContact CB-CB 4.03Å; V687-K722 HydrophobicContact CG2-CB 3.42Å; V687-K722 VanDerWaalsContact CG2-CB 3.42Å; V687-K722 HydrophobicContact CG2-CD 3.84Å; V687-K722 HydrophobicContact CG2-CG 4.28Å; Y720-K722 HydrophobicContact CE2-CB 4.48Å; Y720-K722 PolarHBondContact O-N 3.15Å; K722-K724 PolarHBondContact O-N 2.91Å; K722-K724 VanDerWaalsContact O-N 3.08Å
723	P	49.4	Very low	50.5	Low	60 Å²	60	97.3 Å²	97.3	39%	0.39	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-55	116.4	171.1	-28.3	37.1	0	0	0	111.8	N683 P725	N683-P723 WeakPolarHBondContact ND2-CA 3.22Å; N683-P723 WeakPolarHBondContact OD1-CA 3.31Å; P723-P725 WeakPolarHBondContact O-CD 3.21Å
724	K	56.3	Low	50	Low	105 Å²	105	101 Å²	101	46%	0.457	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-67.3	118.5	176	-158.9	175.1	-162.4	172.9	0	106.6	G682 N683 D684 K722 I726	G682-K724 WeakPolarHBondContact O-CB 3.46Å; G682-K724 VanDerWaalsContact O-CD 3.28Å; G682-K724 WeakPolarHBondContact O-CD 3.18Å; N683-K724 PolarHBondContact OD1-N 3.08Å; D684-K724 IonicContact OD2-NZ 3.42Å; D684-K724 PolarHBondContact OD2-NZ 2.85Å; K722-K724 PolarHBondContact O-N 2.91Å; K722-K724 VanDerWaalsContact O-N 3.08Å; K724-I726 PolarHBondContact O-N 3.17Å
725	P	51.5	Low	49.3	Very low	79 Å²	79	107.8 Å²	107.8	51%	0.513	55%	0.55	S	S	.	*			trans	-63.8	115.6	-177.3	25.3	-32.8	0	0	0	108.3	P547 P723 E727	P547-P725 HydrophobicContact CG-CB 4.19Å; P723-P725 WeakPolarHBondContact O-CD 3.21Å; P725-E727 PolarHBondContact O-N 3.29Å
726	I	51.6	Low	48.7	Very low	135 Å²	135	110.7 Å²	110.7	69%	0.692	56%	0.561	S	S	*	*			trans	-65.3	105.4	172.9	-60.3	174.4	0	0	0	105.9	K724 P728	K724-I726 PolarHBondContact O-N 3.17Å; I726-P728 VanDerWaalsContact O-N 3.17Å
727	E	53.1	Low	48.1	Very low	172 Å²	172	114 Å²	114	80%	0.804	58%	0.581	S	S	*	*			trans	-52.7	125.2	172.3	-72.6	-165.3	151.3	0	0	108.1	P725 S729	P725-E727 PolarHBondContact O-N 3.29Å; E727-S729 PolarHBondContact O-N 2.73Å
728	P	47.4	Very low	47.4	Very low	118 Å²	118	119.1 Å²	119.1	77%	0.766	61%	0.606	S	S	*	*			trans	-64.8	102.3	-180	25.7	-32.9	0	0	0	107.7	I726 L730	I726-P728 VanDerWaalsContact O-N 3.17Å; P728-L730 PolarHBondContact O-N 3Å
729	S	45.6	Very low	46.9	Very low	92 Å²	92	123 Å²	123	64%	0.643	64%	0.638	S	S	*	*			trans	-52.6	109.6	-172.5	59.2	0	0	0	0	108.9	E727 N731	E727-S729 PolarHBondContact O-N 2.73Å; S729-N731 PolarHBondContact O-N 3.26Å
730	L	49.5	Very low	46.2	Very low	154 Å²	154	119.2 Å²	119.2	81%	0.806	64%	0.64	S	S	*	*			trans	-72.6	81	-166.7	-166	90.1	0	0	0	109.7	P728 K732	P728-L730 PolarHBondContact O-N 3Å; L730-K732 PolarHBondContact O-N 2.76Å
731	N	45.6	Very low	45.8	Very low	139 Å²	139	125.9 Å²	125.9	74%	0.743	68%	0.677	S	S	*	*			trans	-58.7	97.9	179.6	-85.9	-38	0	0	0	108.7	S729 M733	S729-N731 PolarHBondContact O-N 3.26Å; N731-M733 PolarHBondContact O-N 2.91Å
732	K	45.8	Very low	45	Very low	170 Å²	170	128.4 Å²	128.4	74%	0.739	70%	0.701	S	S	*	*			trans	-66.4	81	172	-73.6	-175.6	176.2	175.8	0	108.6	L730 N734	L730-K732 PolarHBondContact O-N 2.76Å; K732-N734 PolarHBondContact O-N 3.23Å
733	M	40.1	Very low	44.3	Very low	168 Å²	168	129.4 Å²	129.4	83%	0.828	72%	0.717	S	S	*	*			trans	-71.1	78.6	176.4	-167.8	168.6	-177.1	0	0	108.3	N731 H735	N731-M733 PolarHBondContact O-N 2.91Å; M733-H735 PolarHBondContact O-N 2.86Å
734	N	43.5	Very low	43.8	Very low	132 Å²	132	132 Å²	132	71%	0.706	74%	0.736	S	S	*	*			trans	-59.1	107.2	-178.1	-74.1	-24.6	0	0	0	109.5	K732 I736	K732-N734 PolarHBondContact O-N 3.23Å; N734-I736 VanDerWaalsContact C-N 3.33Å; N734-I736 PolarHBondContact O-N 3.34Å
735	H	37.9	Very low	43	Very low	173 Å²	173	133.3 Å²	133.3	80%	0.801	75%	0.748	S	S	*	*			trans	-64.6	91	171.2	-96.5	-97.5	0	0	0	110	M733 T737	M733-H735 PolarHBondContact O-N 2.86Å; H735-T737 PolarHBondContact O-N 3.1Å
736	I	41.1	Very low	42.5	Very low	140 Å²	140	135.4 Å²	135.4	72%	0.718	76%	0.756	S	S	*	*			trans	-82	91	167.1	-61.3	-179.9	0	0	0	107.6	N734 L738	N734-I736 VanDerWaalsContact C-N 3.33Å; N734-I736 PolarHBondContact O-N 3.34Å; I736-L738 HydrophobicContact CG2-CD1 4.24Å; I736-L738 HydrophobicContact CG2-CG 4.16Å; I736-L738 PolarHBondContact O-N 2.92Å
737	T	35	Very low	42	Very low	121 Å²	121	135.3 Å²	135.3	74%	0.742	76%	0.756	S	S	*	*			trans	-71.5	110.3	173.3	-46.4	0	0	0	0	109.3	H735	H735-T737 PolarHBondContact O-N 3.1Å
738	L	37.4	Very low	41.5	Very low	154 Å²	154	133.7 Å²	133.7	81%	0.806	75%	0.753	S	S	*	*			trans	-109.4	120.7	173.1	-85.5	166.3	0	0	0	110.6	I736	I736-L738 HydrophobicContact CG2-CD1 4.24Å; I736-L738 HydrophobicContact CG2-CG 4.16Å; I736-L738 PolarHBondContact O-N 2.92Å
739	S	39.2	Very low	41.1	Very low	118 Å²	118	134.7 Å²	134.7	83%	0.825	75%	0.752	S	S	*	*			trans	-69.2	143.2	-179.2	-50.8	0	0	0	0	112.2
740	S	36.1	Very low	40.8	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	76%	0.759	S	S	*	*			trans	-76.7	141.3	172.1	54.9	0	0	0	0	112.6
741	D	44.8	Very low	40.2	Very low	167 Å²	167	135.4 Å²	135.4	89%	0.893	76%	0.758	S	S	*	*			trans	-153.7	163.3	139.5	-100.4	-36.4	0	0	0	109.8
742	S	37.1	Very low	39.8	Very low	106 Å²	106	133.7 Å²	133.7	74%	0.741	76%	0.758	S	S	*	*			trans	-148.6	-169.4	-165.5	-50.5	0	0	0	0	110.4
743	P	42.2	Very low	39.3	Very low	112 Å²	112	130.3 Å²	130.3	73%	0.727	76%	0.755	S	S	*	*			cis	-136.5	-175.6	-11	41.1	-23.7	0	0	0	115.5
744	S	38.6	Very low	39.1	Very low	113 Å²	113	129.5 Å²	129.5	79%	0.79	75%	0.752	S	S	*	*			trans	74.8	156.9	162.4	82.5	0	0	0	0	117.5
745	N	41	Very low	38.9	Very low	133 Å²	133	132.5 Å²	132.5	71%	0.711	76%	0.759	S	S	*	*			cis	-151.3	140.4	12.6	-165.1	9.7	0	0	0	114.1
746	N	41.1	Very low	38.6	Very low	124 Å²	124	130 Å²	130	66%	0.663	76%	0.761	S	S	*	*			trans	31.8	123.4	156.5	-75.4	-4.8	0	0	0	125.2
747	N	40.3	Very low	38.3	Very low	132 Å²	132	131.5 Å²	131.5	71%	0.706	77%	0.77	S	S	*	*				91.2	139.5	123.5	-68.9	-3.5	0	0	0	124.6
748	N	42.5	Very low	38.2	Very low	138 Å²	138	132.9 Å²	132.9	74%	0.738	77%	0.768	S	S	*	*			trans	83.2	93.2	150.5	-65.6	-4.3	0	0	0	121.8
749	N	38.8	Very low	38.1	Very low	140 Å²	140	133.6 Å²	133.6	75%	0.749	77%	0.771	S	S	*	*				34.3	105.1	121.1	-56.9	3.5	0	0	0	119.7
750	N	40	Very low	37.8	Very low	147 Å²	147	133.1 Å²	133.1	79%	0.786	76%	0.758	S	S	*	*				168	153.7	100.7	-90	-23.5	0	0	0	112.6
751	S	35.8	Very low	37.7	Very low	113 Å²	113	136.1 Å²	136.1	79%	0.79	77%	0.766	S	S	*	*			trans	43.6	123.7	155.8	60.1	0	0	0	0	118.6
752	S	37.8	Very low	37.1	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	76%	0.763	S	S	*	*			cis	-176.5	160.1	44.4	44.1	0	0	0	0	112.2
753	S	34.9	Very low	36.9	Very low	98 Å²	98	138 Å²	138	69%	0.685	77%	0.768	S	S	*	*			trans	27.1	129.7	153.6	60.8	0	0	0	0	121.5
754	I	37.1	Very low	36.3	Very low	151 Å²	151	138.4 Å²	138.4	77%	0.774	77%	0.774	S	S	*	*				-165.3	125	107.9	-100.1	156.3	0	0	0	112.6
755	K	37.4	Very low	36.3	Very low	195 Å²	195	139.3 Å²	139.3	85%	0.848	78%	0.777	S	S	*	*			trans	38.7	102.2	152	-55	177.2	-176.4	179.5	0	119.6
756	S	31.7	Very low	35.9	Very low	120 Å²	120	138 Å²	138	84%	0.839	78%	0.778	S	S	*	*			trans	-80.8	159.2	146.1	48	0	0	0	0	111.1
757	L	35	Very low	35.6	Very low	173 Å²	173	139 Å²	139	91%	0.906	78%	0.782	S	S	*	*			trans	-108.3	135.5	175.4	-122.5	166.3	0	0	0	109.5
758	Q	32.7	Very low	35.2	Very low	150 Å²	150	139.6 Å²	139.6	70%	0.701	78%	0.784	S	S	*	*			trans	-95.1	137.8	177.8	-63.2	172.7	-67.5	0	0	110.7
759	I	37	Very low	35	Very low	168 Å²	168	143 Å²	143	86%	0.862	79%	0.792	S	S	*	*			trans	-129.6	129.6	140.3	-61.5	-176.4	0	0	0	106.3
760	I	31.9	Very low	35	Very low	109 Å²	109	145.1 Å²	145.1	56%	0.559	80%	0.798	S	S	*	*			trans	-123.1	139.8	177.1	-64.6	171.3	0	0	0	106.5	K762	I760-K762 HydrophobicContact CG2-CG 4.43Å
761	N	33.9	Very low	35.3	Very low	165 Å²	165	143.3 Å²	143.3	88%	0.882	79%	0.794	S	S	*	*			trans	-140.8	136.6	147.8	-99.4	-27	0	0	0	109.3
762	K	31.5	Very low	35.3	Very low	191 Å²	191	145.3 Å²	145.3	83%	0.83	80%	0.796	S	S	*	*			trans	-149	134.4	178.5	-76.6	-172.8	174.8	-172.3	0	108.3	I760	I760-K762 HydrophobicContact CG2-CG 4.43Å
763	S	33.1	Very low	35.3	Very low	122 Å²	122	147.2 Å²	147.2	85%	0.853	80%	0.795	S	S	*	*			trans	-159.9	99.4	158.9	35.2	0	0	0	0	113
764	S	31.2	Very low	35.6	Very low	121 Å²	121	148.9 Å²	148.9	85%	0.846	80%	0.795	S	S	*	*			trans	-132.8	152.9	142.6	-42.8	0	0	0	0	104.8
765	P	37	Very low	35.6	Very low	131 Å²	131	148 Å²	148	85%	0.851	79%	0.792	S	S	*	*				-153.5	-158.7	77.7	41.6	-20.8	0	0	0	113.5
766	S	32.6	Very low	35.7	Very low	105 Å²	105	143.8 Å²	143.8	73%	0.734	78%	0.782	S	S	*	*			trans	-141.6	175.7	-179.4	55.5	0	0	0	0	112.7
767	I	36.1	Very low	36.1	Very low	147 Å²	147	144.1 Å²	144.1	75%	0.754	78%	0.78	S	S	*	*			trans	82.4	83	165.6	-49	178.6	0	0	0	118.3
768	L	32.3	Very low	36.3	Very low	144 Å²	144	140.4 Å²	140.4	75%	0.754	77%	0.768	S	S	*	*				49.8	121.5	102	-159.6	148.2	0	0	0	120.7
769	K	36.4	Very low	36.6	Very low	209 Å²	209	139 Å²	139	91%	0.909	77%	0.77	S	S	*	*			trans	-163.8	143.7	135.4	-109.5	165.3	-172	179.3	0	115.4
770	Q	40.2	Very low	36.8	Very low	185 Å²	185	136.1 Å²	136.1	86%	0.864	76%	0.76	S	S	*	*			trans	-81.4	-178.3	-156.2	-97	-168.3	-22.7	0	0	117.8
771	P	45.8	Very low	37	Very low	109 Å²	109	137.3 Å²	137.3	71%	0.708	77%	0.768	S	S	*	*			trans	-127.6	-166.4	-145.3	48.2	-36.3	0	0	0	116.3
772	N	36.2	Very low	37.3	Very low	155 Å²	155	136.8 Å²	136.8	83%	0.829	76%	0.764	S	S	*	*			trans	-176	155	157.8	-98.4	-26.3	0	0	0	109
773	M	37.9	Very low	37.3	Very low	144 Å²	144	132.5 Å²	132.5	71%	0.709	75%	0.753	S	S	*	*			cis	-172.2	165.7	-17.5	-127.2	-86.8	108	0	0	108.9
774	I	40.5	Very low	37.4	Very low	132 Å²	132	133.8 Å²	133.8	68%	0.677	75%	0.748	S	S	*	*			trans	79	99.9	158.9	-60.2	160.3	0	0	0	120.3
775	N	37.9	Very low	37.4	Very low	133 Å²	133	133.4 Å²	133.4	71%	0.711	74%	0.741	S	S	*	*				55.7	152.9	115.2	-59.8	7	0	0	0	122.6
776	T	38.6	Very low	37.4	Very low	106 Å²	106	137.2 Å²	137.2	65%	0.65	74%	0.738	S	S	*	*			cis	-170.2	160.3	-1.1	18.9	0	0	0	0	112.1
777	T	39.6	Very low	37.6	Very low	128 Å²	128	138 Å²	138	79%	0.785	73%	0.734	S	S	*	*			trans	62.7	157.8	151.4	49.4	0	0	0	0	118.8
778	S	40.4	Very low	37.9	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	74%	0.738	S	S	*	*			cis	-178.2	159.1	-7.4	46.5	0	0	0	0	108.8
779	T	39	Very low	38	Very low	119 Å²	119	140.2 Å²	140.2	73%	0.73	74%	0.742	S	S	*	*			cis	-172.2	172.1	-12.1	32.2	0	0	0	0	109.5
780	T	40.3	Very low	38.5	Very low	108 Å²	108	134.4 Å²	134.4	66%	0.663	73%	0.726	S	S	*	*			trans	66	113.7	147.6	46.4	0	0	0	0	123.1
781	N	37.3	Very low	38.3	Very low	134 Å²	134	132.6 Å²	132.6	72%	0.717	72%	0.722	S	S	*	*				92.5	139	115.5	-70.6	-0.2	0	0	0	124.5
782	I	38.9	Very low	37.8	Very low	155 Å²	155	131.6 Å²	131.6	80%	0.795	72%	0.718	S	S	*	*			trans	75.3	146.3	142.5	-72.9	160	0	0	0	119.1
783	T	32	Very low	37.5	Very low	100 Å²	100	133.1 Å²	133.1	61%	0.613	72%	0.717	S	S	*	*			cis	-166.7	175.1	-44.4	-43.2	0	0	0	0	105.8
784	M	34.7	Very low	37.4	Very low	149 Å²	149	135.3 Å²	135.3	73%	0.734	72%	0.723	S	S	*	*			trans	77.9	101	149.9	-67	-62.9	167.9	0	0	120.9
785	T	32.5	Very low	36.9	Very low	114 Å²	114	133.5 Å²	133.5	70%	0.699	72%	0.722	S	S	*	*				88.7	142.6	118.1	61	0	0	0	0	124.2
786	R	36.4	Very low	36.7	Very low	211 Å²	211	134.1 Å²	134.1	80%	0.796	72%	0.722	S	S	*	*			trans	96.5	105.5	132	-96.9	176.2	169.7	159.2	-0.1	120.3
787	N	36.9	Very low	36.2	Very low	122 Å²	122	137.2 Å²	137.2	65%	0.652	73%	0.727	S	S	*	*				53.2	122	122.4	-57.4	22.6	0	0	0	119.2
788	N	41.5	Very low	35.7	Very low	157 Å²	157	135.6 Å²	135.6	84%	0.84	72%	0.72	S	S	*	*				-170.4	146.9	82.8	-94.2	-53.3	0	0	0	115
789	H	35.5	Very low	35.3	Very low	179 Å²	179	138.8 Å²	138.8	83%	0.829	73%	0.729	S	S	*	*			trans	-77.8	-172.6	164.4	-113.6	-26.6	0	0	0	110.6
790	P	46.3	Very low	34.9	Very low	88 Å²	88	138 Å²	138	57%	0.571	73%	0.729	S	S	*	*			cis	-137.5	-161	-11.4	27.3	-1.8	0	0	0	113.4
791	N	37.2	Very low	34.5	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	73%	0.727	S	S	*	*			trans	76.3	150.3	148.1	-70.9	-14.5	0	0	0	119.4
792	S	33.8	Very low	34.6	Very low	89 Å²	89	134.8 Å²	134.8	62%	0.622	72%	0.721	S	S	*	*			cis	-172.4	142.4	-13.7	50.3	0	0	0	0	113.4
793	F	30.6	Very low	34.5	Very low	186 Å²	186	136.6 Å²	136.6	82%	0.816	72%	0.723	S	S	*	*			trans	62.7	146.6	146.5	-88.2	-108.4	0	0	0	122
794	K	34.9	Very low	34.7	Very low	191 Å²	191	137 Å²	137	83%	0.83	73%	0.729	S	S	*	*			trans	71.1	152.3	155.4	-70.6	159.9	-175.1	173.8	0	116.8
795	S	31	Very low	35.3	Very low	94 Å²	94	134.7 Å²	134.7	66%	0.657	73%	0.725	S	S	*	*			cis	-168.7	159.6	-19.3	-172.6	0	0	0	0	110.5
796	M	33.3	Very low	35.6	Very low	145 Å²	145	135.6 Å²	135.6	71%	0.714	73%	0.726	S	S	*	*			trans	60.4	119.4	152.6	-79.7	166.1	74.7	0	0	122
797	K	29	Very low	35.7	Very low	172 Å²	172	131.6 Å²	131.6	75%	0.748	72%	0.72	S	S	*	*				60.2	112.1	124.9	-64.9	-172.5	178	-174.8	0	121.1
798	S	28.4	Very low	35.8	Very low	94 Å²	94	133.8 Å²	133.8	66%	0.657	73%	0.726	S	S	*	*				82.5	155.9	114.7	77.6	0	0	0	0	121.3
799	L	31.1	Very low	35.8	Very low	161 Å²	161	131.1 Å²	131.1	84%	0.843	72%	0.718	S	S	*	*			trans	66.5	139.6	166.4	-60.8	164	0	0	0	114.2
800	S	31	Very low	35.8	Very low	104 Å²	104	128.5 Å²	128.5	73%	0.727	71%	0.709	S	S	*	*			cis	172.2	-174.2	-0.5	55	0	0	0	0	104.1
801	S	33	Very low	35.5	Very low	90 Å²	90	133.1 Å²	133.1	63%	0.629	72%	0.722	S	S	*	*			cis	-164.6	-178.5	16.5	57	0	0	0	0	111.5
802	S	38.6	Very low	35.6	Very low	83 Å²	83	133 Å²	133	58%	0.58	72%	0.717	S	S	*	*			trans	68.7	152.9	155	36.2	0	0	0	0	118.1
803	F	36	Very low	35.8	Very low	193 Å²	193	137 Å²	137	85%	0.846	72%	0.724	S	S	*	*			cis	-165.5	158.8	-16.5	-86.2	-31.5	0	0	0	106.1
804	C	36.3	Very low	36.1	Very low	108 Å²	108	133.6 Å²	133.6	73%	0.73	72%	0.72	S	S	*	*			cis	-156.4	171	-9.8	-113.5	0	0	0	0	109.4
805	P	47.6	Very low	36.2	Very low	102 Å²	102	131.8 Å²	131.8	66%	0.662	72%	0.719	S	S	*	*			trans	-113.4	-173.8	-167.3	42.4	-33.9	0	0	0	114.9
806	N	39.4	Very low	36.5	Very low	133 Å²	133	133.8 Å²	133.8	71%	0.711	72%	0.722	S	S	*	*				175.5	130.8	128.5	-86.9	-15	0	0	0	115
807	N	38.8	Very low	36.7	Very low	126 Å²	126	132.8 Å²	132.8	67%	0.674	72%	0.72	S	S	*	*				62.2	150.4	128.6	-60.5	20.9	0	0	0	122
808	E	37.7	Very low	36.9	Very low	168 Å²	168	129.6 Å²	129.6	79%	0.785	72%	0.715	S	S	*	*			cis	-161.8	174.2	-9.4	-108	-167.4	119.4	0	0	111
809	P	41.5	Very low	37.2	Very low	102 Å²	102	132.2 Å²	132.2	66%	0.662	72%	0.721	S	S	*	*			trans	-140	-157.3	-149.5	31.9	-5	0	0	0	118.1
810	I	37	Very low	37.1	Very low	123 Å²	123	128.8 Å²	128.8	63%	0.631	71%	0.711	S	S	*	*			trans	92.8	118.9	151.9	-41.1	178.7	0	0	0	121.3
811	Q	40.1	Very low	37.2	Very low	185 Å²	185	134.5 Å²	134.5	86%	0.864	72%	0.717	S	S	*	*				169.2	119.6	126.5	-91.4	165.9	83.8	0	0	109.1
812	Q	38.6	Very low	37	Very low	144 Å²	144	136.2 Å²	136.2	67%	0.673	72%	0.718	S	S	*	*				65.3	138.6	59.8	-64.2	-158.2	38.6	0	0	113.6
813	K	37.4	Very low	36.8	Very low	174 Å²	174	138.2 Å²	138.2	76%	0.757	72%	0.722	S	S	*	*			cis	-173.6	-170.5	3.7	-118.5	-173.8	-178.3	179.3	0	108.1
814	P	38.1	Very low	36.8	Very low	114 Å²	114	134.6 Å²	134.6	74%	0.74	71%	0.712	S	S	*	*			cis	-132.1	-159.4	-36.6	40.6	-21.8	0	0	0	113.2
815	L	36.9	Very low	36.7	Very low	152 Å²	152	137.6 Å²	137.6	80%	0.796	71%	0.712	S	S	*	*			trans	-124.4	162	175.4	-149.6	96.4	0	0	0	110.8
816	D	37.8	Very low	36.1	Very low	137 Å²	137	140 Å²	140	73%	0.733	72%	0.717	S	S	*	*			trans	-165.2	133.2	156.4	-92.2	-42.8	0	0	0	108.4
817	N	35.6	Very low	36	Very low	124 Å²	124	139.3 Å²	139.3	66%	0.663	71%	0.713	S	S	*	*				78	140.9	60.8	-67.3	-35.2	0	0	0	113.7
818	T	34.1	Very low	35.8	Very low	105 Å²	105	139.8 Å²	139.8	64%	0.644	72%	0.715	S	S	*	*			cis	-171.8	159.2	-7.4	21.4	0	0	0	0	109.8
819	N	33.6	Very low	35.5	Very low	148 Å²	148	136 Å²	136	79%	0.791	71%	0.713	S	S	*	*			trans	64.6	162	150.6	-68.2	-11	0	0	0	119.1
820	S	29.3	Very low	35.1	Very low	90 Å²	90	139.8 Å²	139.8	63%	0.629	72%	0.724	S	S	*	*			cis	-172.6	171.5	-22.3	56.5	0	0	0	0	111.7
821	W	33	Very low	34.8	Very low	224 Å²	224	139.4 Å²	139.4	85%	0.848	73%	0.727	S	S	*	*			trans	84.3	120.4	153.9	-83.9	32.2	0	0	0	123.1
822	L	30.2	Very low	34.3	Very low	125 Å²	125	135.9 Å²	135.9	65%	0.654	72%	0.718	S	S	*	*			trans	54.3	138.2	133	-84.4	82.4	0	0	0	124.7
823	N	34.4	Very low	33.9	Very low	125 Å²	125	135 Å²	135	67%	0.668	72%	0.723	S	S	*	*			trans	97.5	113	134.9	-83	-19.7	0	0	0	123
824	N	36.2	Very low	33.9	Very low	118 Å²	118	133.6 Å²	133.6	63%	0.631	72%	0.722	S	S	*	*			trans	78.8	106.6	130.6	-74.7	-47.7	0	0	0	122.2
825	K	33.7	Very low	33.9	Very low	170 Å²	170	133.1 Å²	133.1	74%	0.739	72%	0.72	S	S	*	*				79.8	121.7	119.9	-75.9	-175.2	176.6	-175	0	121.3
826	M	35.8	Very low	33.9	Very low	153 Å²	153	132.8 Å²	132.8	75%	0.754	72%	0.718	S	S	*	*				85.8	115.5	125.8	-74.3	179.2	129.4	0	0	120.4
827	N	37.2	Very low	33.9	Very low	119 Å²	119	133.3 Å²	133.3	64%	0.636	72%	0.72	S	S	*	*				98.5	124.3	129.6	-76	46.5	0	0	0	120.6
828	D	33.4	Very low	33.9	Very low	135 Å²	135	130.9 Å²	130.9	72%	0.722	71%	0.712	S	S	*	*			trans	68.8	93	133	-54.3	-26.6	0	0	0	121.2
829	A	31.6	Very low	34.1	Very low	90 Å²	90	134.1 Å²	134.1	74%	0.744	72%	0.72	S	S	*	*				81.6	159.7	113.6	0	0	0	0	0	120.5
830	M	33.5	Very low	34.3	Very low	181 Å²	181	131.3 Å²	131.3	89%	0.892	71%	0.712	S	S	*	*			trans	66.2	154.9	167.8	-72.5	-164.4	175.5	0	0	117.7
831	V	29.7	Very low	34.9	Very low	114 Å²	114	134.2 Å²	134.2	69%	0.691	72%	0.72	S	S	*	*			cis	-166.7	149	-36.2	98	0	0	0	0	108.4
832	T	29.3	Very low	35.2	Very low	111 Å²	111	129.4 Å²	129.4	68%	0.681	71%	0.711	S	S	*	*			trans	60.6	114.3	160.9	56.5	0	0	0	0	125
833	T	32.1	Very low	35.7	Very low	125 Å²	125	129.8 Å²	129.8	77%	0.767	71%	0.713	S	S	*	*				61	164.2	107	-21.1	0	0	0	0	123.9
834	I	36.5	Very low	35.7	Very low	145 Å²	145	131 Å²	131	74%	0.744	71%	0.712	S	S	*	*			trans	85.6	132.1	160	-72.5	174.2	0	0	0	114
835	P	38.8	Very low	35.6	Very low	105 Å²	105	130.1 Å²	130.1	68%	0.682	72%	0.716	S	S	*	*				-146.6	151.9	60.3	31.6	-7.9	0	0	0	122.2
836	L	37.1	Very low	35.9	Very low	145 Å²	145	130.2 Å²	130.2	76%	0.759	72%	0.719	S	S	*	*			trans	66.5	150.2	142	-78.8	37.9	0	0	0	118.3
837	L	37	Very low	35.7	Very low	148 Å²	148	126.9 Å²	126.9	78%	0.775	71%	0.71	S	S	*	*			cis	-166.2	169.1	-7.4	-90.7	158.7	0	0	0	106.7
838	S	35.1	Very low	35.7	Very low	72 Å²	72	131.3 Å²	131.3	50%	0.503	72%	0.72	S	S	.	*			cis	-171.7	177.4	-25.6	52.9	0	0	0	0	110.6
839	H	38	Very low	35.6	Very low	174 Å²	174	128.8 Å²	128.8	81%	0.806	71%	0.712	S	S	*	*			trans	74.2	142.8	170	-56.9	-65.4	0	0	0	118.1
840	S	39.3	Very low	35.6	Very low	89 Å²	89	134.9 Å²	134.9	62%	0.622	72%	0.716	S	S	*	*			cis	-167	147.1	-17.5	47.5	0	0	0	0	113.3
841	D	40.5	Very low	35.7	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	71%	0.71	S	S	*	*			trans	72.3	90.9	142.7	-56.1	-5.2	0	0	0	123.2
842	D	39	Very low	35.9	Very low	123 Å²	123	137.7 Å²	137.7	66%	0.658	71%	0.714	S	S	*	*				76.4	157.9	108.4	-156.3	23.6	0	0	0	121.8	K844	D842-K844 IonicContact OD1-NZ 3.37Å; D842-K844 IonicContact OD2-NZ 3.4Å; D842-K844 PolarHBondContact OD2-NZ 2.76Å
843	L	42.1	Very low	36.3	Very low	134 Å²	134	138 Å²	138	70%	0.702	72%	0.721	S	S	*	*			trans	82.3	134.2	165.2	-49.8	178.6	0	0	0	118.8
844	K	34.7	Very low	36.4	Very low	149 Å²	149	140.4 Å²	140.4	65%	0.648	72%	0.724	S	S	*	*			cis	-175	158.9	-31.5	-121.9	-174.7	-163	82.2	0	108.9	D842	D842-K844 IonicContact OD1-NZ 3.37Å; D842-K844 IonicContact OD2-NZ 3.4Å; D842-K844 PolarHBondContact OD2-NZ 2.76Å
845	S	34	Very low	36.3	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	73%	0.726	S	S	*	*			trans	60.8	157.2	158.7	42	0	0	0	0	117.8
846	E	39.2	Very low	36.3	Very low	172 Å²	172	142.4 Å²	142.4	80%	0.804	74%	0.738	S	S	*	*			cis	-158.1	131.4	-13.4	-109.9	169.3	-156.3	0	0	105.6
847	S	31.2	Very low	36	Very low	82 Å²	82	141.5 Å²	141.5	57%	0.573	74%	0.739	S	S	*	*				103.3	170	65.1	88.3	0	0	0	0	113.3
848	Y	38.2	Very low	36	Very low	213 Å²	213	143.7 Å²	143.7	84%	0.835	75%	0.747	S	S	*	*			trans	70.9	150.9	-173.7	-66.9	-95.7	0	0	0	118.6
849	S	31.1	Very low	35.9	Very low	81 Å²	81	147.5 Å²	147.5	57%	0.566	76%	0.755	S	S	*	*			cis	-179.5	134.3	-49.8	-115	0	0	0	0	112.7
850	R	31.5	Very low	35.7	Very low	218 Å²	218	148.1 Å²	148.1	82%	0.823	76%	0.758	S	S	*	*			trans	68.3	166.4	147.9	-60.5	168.9	171.3	-174.6	-4.1	114.8
851	K	36.5	Very low	35.3	Very low	177 Å²	177	148.8 Å²	148.8	77%	0.77	76%	0.762	S	S	*	*			cis	-157.5	133.9	12.7	-144.8	164.7	-174	-175.5	0	112.9
852	K	32.8	Very low	35	Very low	177 Å²	177	146.3 Å²	146.3	77%	0.77	76%	0.757	S	S	*	*			trans	8.6	133.7	149.6	-56.5	-179.9	175.8	-171.7	0	120.5
853	S	37.4	Very low	34.8	Very low	119 Å²	119	147.5 Å²	147.5	83%	0.832	76%	0.763	S	S	*	*				-170.3	178.7	106.2	57.9	0	0	0	0	110.7
854	Q	33.8	Very low	34.6	Very low	175 Å²	175	148.7 Å²	148.7	82%	0.818	77%	0.769	S	S	*	*				-174.8	122.6	-78.5	-110.5	-165.6	-53.2	0	0	108.2
855	G	36.1	Very low	34.6	Very low	77 Å²	77	150.7 Å²	150.7	79%	0.794	78%	0.778	S	S	*	*			trans	118.7	147.1	169.9	0	0	0	0	0	114
856	K	38.2	Very low	34.7	Very low	215 Å²	215	153.1 Å²	153.1	94%	0.935	78%	0.783	S	S	*	*			cis	-149.6	164.3	-2.9	-116.7	178.2	-176.3	176.2	0	111.3
857	T	29.9	Very low	34.4	Very low	126 Å²	126	152.9 Å²	152.9	77%	0.773	78%	0.779	S	S	*	*			trans	-96.3	139.1	-168.5	50.3	0	0	0	0	115.3
858	M	37.6	Very low	34.8	Very low	193 Å²	193	160 Å²	160	95%	0.951	79%	0.793	S	S	*	*			trans	-168.6	118.2	143.4	-103.5	173.5	179.9	0	0	106.9
859	K	32.3	Very low	34.6	Very low	152 Å²	152	156.9 Å²	156.9	66%	0.661	79%	0.786	S	S	*	*			cis	96.6	118.5	10.7	-152.8	-165.7	-177.2	-164.9	0	114.8
860	H	33.6	Very low	34.9	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.866	80%	0.798	S	S	*	*			trans	72.5	156.1	175.1	-58.8	-52	0	0	0	114.9
861	S	32	Very low	35	Very low	104 Å²	104	154.2 Å²	154.2	73%	0.727	79%	0.791	S	S	*	*			cis	-175.6	158.4	-13.8	44.5	0	0	0	0	109.9
862	S	34.5	Very low	35.2	Very low	98 Å²	98	155.9 Å²	155.9	69%	0.685	80%	0.798	S	S	*	*			cis	179.2	152	-24.4	57.4	0	0	0	0	109.6
863	L	34	Very low	35.2	Very low	148 Å²	148	155.6 Å²	155.6	78%	0.775	80%	0.8	S	S	*	*			trans	66	139.3	171.5	-97.1	75	0	0	0	117.8
864	N	37.3	Very low	35.1	Very low	158 Å²	158	158.4 Å²	158.4	85%	0.845	80%	0.8	S	S	*	*				-159.7	138.1	105.3	-105.9	-34	0	0	0	113.9
865	K	35.1	Very low	35.4	Very low	192 Å²	192	157.1 Å²	157.1	84%	0.835	80%	0.797	S	S	*	*			trans	-107	139.6	164.3	-68	176.9	177.9	177.4	0	107.1
866	L	36.1	Very low	35.2	Very low	152 Å²	152	159.2 Å²	159.2	80%	0.796	80%	0.795	S	S	*	*			trans	-116.7	85.7	170.1	-107	162.2	0	0	0	111.2	R868	L866-R868 HydrophobicContact CD2-CG 4.26Å
867	K	34	Very low	35.3	Very low	166 Å²	166	154.6 Å²	154.6	72%	0.722	79%	0.787	S	S	*	*			trans	-67.2	138.2	148.1	-82.2	-174.2	166.6	-166.1	0	107.6
868	R	39.1	Very low	35.5	Very low	233 Å²	233	154 Å²	154	88%	0.879	78%	0.783	S	S	*	*			trans	-122.9	112.9	144.8	-82.3	-170.6	170	-174.8	-2.4	108.8	L866	L866-R868 HydrophobicContact CD2-CG 4.26Å
869	Q	33.3	Very low	35.6	Very low	146 Å²	146	153.7 Å²	153.7	68%	0.682	78%	0.778	S	S	*	*			trans	-91.4	136.4	156.8	-68.8	171.2	-110	0	0	106.4
870	S	37.5	Very low	35.6	Very low	117 Å²	117	154.8 Å²	154.8	82%	0.818	78%	0.783	S	S	*	*			trans	-134.9	101.8	163.9	51.8	0	0	0	0	107.6
871	N	33.8	Very low	35.7	Very low	127 Å²	127	152.2 Å²	152.2	68%	0.679	78%	0.781	S	S	*	*			trans	-66.1	135	169.3	-72.1	-8.8	0	0	0	108.6
872	F	40.2	Very low	35.7	Very low	211 Å²	211	154.4 Å²	154.4	93%	0.925	78%	0.784	S	S	*	*			trans	-129.6	127.4	138.3	-105.8	-86.5	0	0	0	107.6
873	Q	33.1	Very low	35.7	Very low	172 Å²	172	157.4 Å²	157.4	80%	0.804	79%	0.791	S	S	*	*			trans	-100.5	125.4	169.8	-64.6	171.4	-92.6	0	0	106.7
874	E	36.1	Very low	35.6	Very low	177 Å²	177	157.1 Å²	157.1	83%	0.827	79%	0.79	S	S	*	*			trans	-155.4	108.6	143.1	-121.7	164.2	-174.2	0	0	113.1
875	I	38.6	Very low	35.3	Very low	148 Å²	148	155.5 Å²	155.5	76%	0.759	79%	0.786	S	S	*	*			trans	45.9	104.1	136.5	-54.7	176.2	0	0	0	117.6
876	T	33	Very low	35.3	Very low	121 Å²	121	152.4 Å²	152.4	74%	0.742	78%	0.777	S	S	*	*			trans	-61.2	155.3	155.8	-6.6	0	0	0	0	111.6
877	P	40.7	Very low	35.1	Very low	118 Å²	118	152.6 Å²	152.6	77%	0.766	78%	0.776	S	S	*	*				-122.7	148.4	119.5	34.9	-32.5	0	0	0	113.1
878	V	33.3	Very low	35.1	Very low	115 Å²	115	151.7 Å²	151.7	70%	0.697	78%	0.779	S	S	*	*			trans	-73.8	134	176	173.7	0	0	0	0	110.1
879	H	39.8	Very low	34.8	Very low	185 Å²	185	149 Å²	149	86%	0.856	78%	0.776	S	S	*	*			trans	-136.4	135.8	147.7	-111.4	-87.7	0	0	0	110.6
880	K	32.3	Very low	34.8	Very low	175 Å²	175	147.3 Å²	147.3	76%	0.761	78%	0.781	S	S	*	*			trans	-84.7	140.9	173.2	-63.1	179.5	176.5	-174.9	0	109.6
881	T	36.8	Very low	34.8	Very low	134 Å²	134	147 Å²	147	82%	0.822	78%	0.776	S	S	*	*			trans	-150.9	124.4	154.6	7.2	0	0	0	0	108.3
882	D	30.5	Very low	34.5	Very low	149 Å²	149	150.2 Å²	150.2	80%	0.797	79%	0.786	S	S	*	*			trans	-81.3	134.1	-174.7	-48.5	-89	0	0	0	111
883	I	35.6	Very low	34.1	Very low	161 Å²	161	147.1 Å²	147.1	83%	0.826	78%	0.779	S	S	*	*			trans	-133.9	131.8	165.4	-61.9	-176.6	0	0	0	107.6	T885	I883-T885 PolarHBondContact O-N 2.92Å
884	L	32	Very low	33.8	Very low	143 Å²	143	150.2 Å²	150.2	75%	0.749	78%	0.783	S	S	*	*			trans	-73.9	119.3	-169.3	-76	69.7	0	0	0	112.3	I886	L884-I886 HydrophobicContact CB-CG1 4.11Å; L884-I886 PolarHBondContact O-N 3.22Å
885	T	31.1	Very low	33.6	Very low	124 Å²	124	149 Å²	149	76%	0.761	78%	0.782	S	S	*	*			trans	-77.8	96.3	154.4	-56	0	0	0	0	108.3	I883 M887	I883-T885 PolarHBondContact O-N 2.92Å; T885-M887 HydrophobicContact CG2-CG 4.25Å; T885-M887 PolarHBondContact O-N 2.72Å
886	I	35.3	Very low	33	Very low	126 Å²	126	147 Å²	147	65%	0.646	78%	0.781	S	S	*	*			trans	-72.6	91.8	175.3	-58.8	-179.8	0	0	0	109.1	L884 N888	L884-I886 HydrophobicContact CB-CG1 4.11Å; L884-I886 PolarHBondContact O-N 3.22Å; I886-N888 WeakPolarHBondContact CG2-OD1 3.44Å; I886-N888 PolarHBondContact O-N 2.8Å; I886-N888 VanDerWaalsContact O-N 3.11Å
887	M	31	Very low	33.1	Very low	156 Å²	156	148.6 Å²	148.6	77%	0.768	79%	0.785	S	S	*	*			trans	-74.8	90	167	-72.5	-172.4	-78	0	0	109.5	T885 Q889	T885-M887 HydrophobicContact CG2-CG 4.25Å; T885-M887 PolarHBondContact O-N 2.72Å; M887-Q889 PolarHBondContact O-N 3.31Å; M887-Q889 VanDerWaalsContact O-N 3.08Å
888	N	34.2	Very low	32.5	Very low	147 Å²	147	150.6 Å²	150.6	79%	0.786	78%	0.784	S	S	*	*			trans	-69.6	103	166.5	-84	-8.8	0	0	0	109.2	I886	I886-N888 WeakPolarHBondContact CG2-OD1 3.44Å; I886-N888 PolarHBondContact O-N 2.8Å; I886-N888 VanDerWaalsContact O-N 3.11Å
889	Q	32.7	Very low	32.5	Very low	178 Å²	178	152.9 Å²	152.9	83%	0.832	79%	0.787	S	S	*	*			trans	-69.9	134.1	174	-64.4	174.1	-13.9	0	0	110	M887	M887-Q889 PolarHBondContact O-N 3.31Å; M887-Q889 VanDerWaalsContact O-N 3.08Å
890	S	32.5	Very low	32	Very low	110 Å²	110	151.4 Å²	151.4	77%	0.769	78%	0.775	S	S	*	*			trans	-63.8	127.1	173.6	-51.7	0	0	0	0	110.5	Q892	S890-Q892 PolarHBondContact O-N 2.99Å
891	P	37.3	Very low	32.1	Very low	110 Å²	110	152 Å²	152	71%	0.714	78%	0.778	S	S	*	*			trans	-71.1	112.4	174.6	28.4	-32.6	0	0	0	110	L893	P891-L893 PolarHBondContact O-N 3.11Å
892	Q	28.7	Very low	32.1	Very low	194 Å²	194	152.2 Å²	152.2	91%	0.907	77%	0.774	S	S	*	*			trans	-67.1	100.9	164.8	-72.6	-173.7	-4	0	0	109.2	S890	S890-Q892 PolarHBondContact O-N 2.99Å
893	L	30.6	Very low	32.2	Very low	146 Å²	146	153.4 Å²	153.4	76%	0.764	78%	0.78	S	S	*	*			trans	-102.2	94.7	167.3	-75.9	175.3	0	0	0	110.1	P891 L895	P891-L893 PolarHBondContact O-N 3.11Å; L893-L895 PolarHBondContact O-N 2.79Å
894	R	27.7	Very low	32.2	Very low	237 Å²	237	148.8 Å²	148.8	89%	0.894	77%	0.773	S	S	*	*			trans	-64.9	110.5	154.5	-81.7	-178.8	166.6	-174.1	-4.4	108.2
895	L	31.5	Very low	32.1	Very low	152 Å²	152	150 Å²	150	80%	0.796	78%	0.78	S	S	*	*			trans	-128.4	84.8	153	-75.7	178.7	0	0	0	108.6	L893	L893-L895 PolarHBondContact O-N 2.79Å
896	S	27.2	Very low	32.3	Very low	106 Å²	106	151.2 Å²	151.2	74%	0.741	78%	0.78	S	S	*	*			trans	-71.2	117.8	151.5	51.3	0	0	0	0	107.9
897	D	33.9	Very low	32	Very low	155 Å²	155	152.6 Å²	152.6	83%	0.829	79%	0.787	S	S	*	*			trans	-144.9	132.8	148.6	-101.9	-41.1	0	0	0	108.9
898	Q	29.3	Very low	32.2	Very low	160 Å²	160	152.5 Å²	152.5	75%	0.748	79%	0.789	S	S	*	*			trans	-129.5	85.4	-163.7	-176.7	177	-1.1	0	0	108.4
899	Q	32.2	Very low	32.3	Very low	163 Å²	163	156.3 Å²	156.3	76%	0.762	79%	0.792	S	S	*	*			trans	-94	105.4	177.9	-72.8	-168.8	-25.1	0	0	111	F901	Q899-F901 HydrophobicContact CB-CE2 4.4Å
900	Y	29.9	Very low	32.5	Very low	154 Å²	154	155.2 Å²	155.2	60%	0.604	79%	0.792	S	S	*	*			trans	-52.5	144.1	153.3	-82.6	-116.9	0	0	0	109.6
901	F	34.2	Very low	32.9	Very low	188 Å²	188	156.4 Å²	156.4	83%	0.825	79%	0.789	S	S	*	*			trans	-121.7	111.8	149.6	-85.8	-84.1	0	0	0	107.4	Q899	Q899-F901 HydrophobicContact CB-CE2 4.4Å
902	D	37.3	Very low	33.4	Very low	138 Å²	138	154.8 Å²	154.8	74%	0.738	78%	0.776	S	S	*	*			trans	-66.5	164.5	174.1	-75.7	-50.3	0	0	0	111.5
903	D	32.6	Very low	34.3	Very low	174 Å²	174	151.5 Å²	151.5	93%	0.93	76%	0.764	S	S	*	*			trans	-54.7	135.4	174.1	-60.6	-64.2	0	0	0	112.3
904	G	33.7	Very low	35.4	Very low	64 Å²	64	150.2 Å²	150.2	66%	0.66	76%	0.755	S	S	*	*			trans	-146.5	111.8	178.8	0	0	0	0	0	112.1	I906	G904-I906 PolarHBondContact O-N 3.14Å
905	D	31.8	Very low	37	Very low	168 Å²	168	143 Å²	143	90%	0.898	74%	0.735	S	S	*	*			trans	-57.4	118	-178.3	-68.9	-61.3	0	0	0	112.7
906	I	34.3	Very low	38.5	Very low	149 Å²	149	140.7 Å²	140.7	76%	0.764	72%	0.722	S	S	*	*			trans	-112	106.5	167.1	-62.4	-176.9	0	0	0	109.3	G904 L908	G904-I906 PolarHBondContact O-N 3.14Å; I906-L908 PolarHBondContact O-N 3.42Å
907	I	30.2	Very low	40.2	Very low	156 Å²	156	140.6 Å²	140.6	80%	0.8	71%	0.71	S	S	*	*			trans	-69.4	92.4	174.8	-56	172.3	0	0	0	108.9	R909	I907-R909 PolarHBondContact O-N 2.84Å
908	L	34.1	Very low	42	Very low	154 Å²	154	138 Å²	138	81%	0.806	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-67.1	121.5	166.9	-78.1	168.5	0	0	0	109.2	I906	I906-L908 PolarHBondContact O-N 3.42Å
909	R	36.9	Very low	44.1	Very low	226 Å²	226	137 Å²	137	85%	0.853	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-79.3	137.9	167.3	-72.2	-178.5	173.9	178.1	-1.9	109.3	I907 I911	I907-R909 PolarHBondContact O-N 2.84Å; R909-I911 PolarHBondContact O-N 3.38Å
910	D	36.3	Very low	46.1	Very low	156 Å²	156	134 Å²	134	83%	0.834	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-57.2	120.8	175.5	-58.4	-73.5	0	0	0	111.8
911	I	40.9	Very low	48.3	Very low	135 Å²	135	131.3 Å²	131.3	69%	0.692	68%	0.676	S	S	*	*			trans	-99.3	105.5	156.4	-62.5	178.4	0	0	0	105.3	R909 D915	R909-I911 PolarHBondContact O-N 3.38Å; I911-D915 HydrophobicContact CG2-CB 4.5Å
912	T	47.8	Very low	50.2	Low	75 Å²	75	124.7 Å²	124.7	46%	0.46	65%	0.653	S	S	.	*			trans	-63.6	139.4	-174.3	48	0	0	0	0	111.9	M914 D915	T912-M914 PolarHBondContact O-N 2.86Å; T912-D915 PolarHBondContact O-N 2.86Å
913	I	47.4	Very low	52	Low	125 Å²	125	123.7 Å²	123.7	64%	0.641	65%	0.647	S	S	*	*	H	α-helix	trans	-48	-34.9	-176.6	-66.5	170.6	0	0	0	113.1	D915 I916 E917	I913-D915 PolarHBondContact O-N 2.86Å; I913-D915 VanDerWaalsContact O-N 3.14Å; I913-I916 PolarHBondContact O-N 2.88Å; I913-E917 HydrophobicContact CG2-CG 4.1Å; I913-E917 PolarHBondContact O-N 2.95Å; I913-E917 VanDerWaalsContact O-N 3.08Å
914	M	53.4	Low	53.9	Low	119 Å²	119	118 Å²	118	59%	0.586	62%	0.621	S	S	*	*	H	α-helix	trans	-52.5	-32.9	177.1	-67.1	-174.4	-70	0	0	114.5	T912 N918	T912-M914 PolarHBondContact O-N 2.86Å; M914-N918 VanDerWaalsContact O-CB 3.29Å; M914-N918 WeakPolarHBondContact O-CB 3.33Å; M914-N918 VanDerWaalsContact O-CG 3.27Å; M914-N918 PolarHBondContact O-N 2.9Å; M914-N918 PolarHBondContact O-ND2 3.32Å
915	D	61.1	Low	55.7	Low	87 Å²	87	118.1 Å²	118.1	47%	0.465	61%	0.611	S	S	.	*	H	α-helix	trans	-72.2	-31.3	179.3	-85.4	-19.8	0	0	0	112.4	I911 T912 I913 Q919	I911-D915 HydrophobicContact CG2-CB 4.5Å; T912-D915 PolarHBondContact O-N 2.86Å; I913-D915 PolarHBondContact O-N 2.86Å; I913-D915 VanDerWaalsContact O-N 3.14Å; D915-Q919 WeakPolarHBondContact O-CG 3.31Å; D915-Q919 PolarHBondContact O-N 2.83Å
916	I	63.3	Low	57.9	Low	102 Å²	102	116.1 Å²	116.1	52%	0.523	60%	0.595	S	S	.	*	H	α-helix	trans	-74.1	-44.7	174.3	-61.5	178.2	0	0	0	109.4	I913 N918 Q919 I920	I913-I916 PolarHBondContact O-N 2.88Å; I916-N918 VanDerWaalsContact C-N 3.33Å; I916-N918 PolarHBondContact O-N 2.83Å; I916-Q919 PolarHBondContact O-N 3.33Å; I916-I920 HydrophobicContact CG2-CD1 3.83Å; I916-I920 HydrophobicContact CG2-CG1 4.42Å; I916-I920 WeakPolarHBondContact O-CG1 3.32Å; I916-I920 PolarHBondContact O-N 3.16Å
917	E	63.5	Low	59.6	Low	105 Å²	105	114.5 Å²	114.5	49%	0.491	59%	0.587	S	S	.	*	H	α-helix	trans	-60.1	-41.3	175.4	-67.4	-176.4	139.8	0	0	112	I913 Q919 I920 N921	I913-E917 HydrophobicContact CG2-CG 4.1Å; I913-E917 PolarHBondContact O-N 2.95Å; I913-E917 VanDerWaalsContact O-N 3.08Å; E917-Q919 PolarHBondContact O-N 2.79Å; E917-I920 PolarHBondContact O-N 2.88Å; E917-N921 VanDerWaalsContact O-CB 3.31Å; E917-N921 WeakPolarHBondContact O-CB 3.44Å; E917-N921 VanDerWaalsContact O-CG 3.28Å; E917-N921 PolarHBondContact O-N 3.2Å; E917-N921 PolarHBondContact O-ND2 2.93Å; E917-N921 VanDerWaalsContact O-ND2 3.14Å
918	N	71.2	Confident	61.6	Low	101 Å²	101	114 Å²	114	54%	0.54	58%	0.579	S	S	.	*	H	α-helix	trans	-64.5	-37.5	175.3	-79.8	-41.5	0	0	0	112.8	M914 I916 S922	M914-N918 VanDerWaalsContact O-CB 3.29Å; M914-N918 WeakPolarHBondContact O-CB 3.33Å; M914-N918 VanDerWaalsContact O-CG 3.27Å; M914-N918 PolarHBondContact O-N 2.9Å; M914-N918 PolarHBondContact O-ND2 3.32Å; I916-N918 VanDerWaalsContact C-N 3.33Å; I916-N918 PolarHBondContact O-N 2.83Å; N918-S922 WeakPolarHBondContact O-CB 3.32Å; N918-S922 PolarHBondContact O-N 2.95Å
919	Q	73.8	Confident	63	Low	137 Å²	137	109.8 Å²	109.8	64%	0.64	56%	0.563	S	S	*	*	H	α-helix	trans	-70.2	-39.9	173.7	-72.9	-172.8	42.3	0	0	112.3	D915 I916 E917 S922 L923	D915-Q919 WeakPolarHBondContact O-CG 3.31Å; D915-Q919 PolarHBondContact O-N 2.83Å; I916-Q919 PolarHBondContact O-N 3.33Å; E917-Q919 PolarHBondContact O-N 2.79Å; Q919-S922 PolarHBondContact O-N 2.85Å; Q919-L923 WeakPolarHBondContact O-CB 3.45Å; Q919-L923 WeakPolarHBondContact O-CG 3.42Å; Q919-L923 PolarHBondContact O-N 2.88Å
920	I	74.5	Confident	63.9	Low	102 Å²	102	105 Å²	105	52%	0.523	55%	0.553	S	S	.	*	H	α-helix	trans	-62.6	-43	174.3	-69.9	171.4	0	0	0	110.5	I916 E917 L923 S924	I916-I920 HydrophobicContact CG2-CD1 3.83Å; I916-I920 HydrophobicContact CG2-CG1 4.42Å; I916-I920 WeakPolarHBondContact O-CG1 3.32Å; I916-I920 PolarHBondContact O-N 3.16Å; E917-I920 PolarHBondContact O-N 2.88Å; I920-L923 PolarHBondContact O-N 2.86Å; I920-S924 VanDerWaalsContact O-CB 3.22Å; I920-S924 WeakPolarHBondContact O-CB 3.46Å; I920-S924 PolarHBondContact O-N 2.82Å
921	N	75	Confident	64.7	Low	97 Å²	97	104.9 Å²	104.9	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-68.1	-34.5	175.5	-73.2	-35	0	0	0	112.6	E917 S925	E917-N921 VanDerWaalsContact O-CB 3.31Å; E917-N921 WeakPolarHBondContact O-CB 3.44Å; E917-N921 VanDerWaalsContact O-CG 3.28Å; E917-N921 PolarHBondContact O-N 3.2Å; E917-N921 PolarHBondContact O-ND2 2.93Å; E917-N921 VanDerWaalsContact O-ND2 3.14Å; N921-S925 WeakPolarHBondContact O-CB 3.42Å; N921-S925 PolarHBondContact O-N 3.17Å; N921-S925 PolarHBondContact O-OG 3.39Å
922	S	75.1	Confident	65.2	Low	49 Å²	49	104.9 Å²	104.9	34%	0.343	54%	0.542	S	S	.	.	H	α-helix	trans	-67.3	-36	171.9	-167.2	0	0	0	0	112.6	N918 Q919 S925 K926	N918-S922 WeakPolarHBondContact O-CB 3.32Å; N918-S922 PolarHBondContact O-N 2.95Å; Q919-S922 PolarHBondContact O-N 2.85Å; S922-S925 WeakPolarHBondContact CA-OG 3.48Å; S922-S925 PolarHBondContact O-OG 2.86Å; S922-S925 VanDerWaalsContact O-OG 3.1Å; S922-K926 WeakPolarHBondContact O-CB 3.49Å; S922-K926 WeakPolarHBondContact O-CD 3.33Å; S922-K926 VanDerWaalsContact O-CG 3.29Å; S922-K926 WeakPolarHBondContact O-CG 3.35Å; S922-K926 PolarHBondContact O-N 3.2Å
923	L	74.9	Confident	65	Low	116 Å²	116	106.7 Å²	106.7	61%	0.607	55%	0.553	S	S	*	*	H	α-helix	trans	-74.9	-41.4	175.2	-75.4	166.8	0	0	0	111.7	Q919 I920 K926 L927	Q919-L923 WeakPolarHBondContact O-CB 3.45Å; Q919-L923 WeakPolarHBondContact O-CG 3.42Å; Q919-L923 PolarHBondContact O-N 2.88Å; I920-L923 PolarHBondContact O-N 2.86Å; L923-K926 PolarHBondContact O-N 3.43Å; L923-L927 WeakPolarHBondContact O-CB 3.16Å; L923-L927 PolarHBondContact O-N 2.96Å
924	S	71.7	Confident	64.8	Low	55 Å²	55	109.3 Å²	109.3	39%	0.385	56%	0.563	S	S	.	*	H	α-helix	trans	-61.7	-45.2	176.3	-176.6	0	0	0	0	112	I920 L927 K928	I920-S924 VanDerWaalsContact O-CB 3.22Å; I920-S924 WeakPolarHBondContact O-CB 3.46Å; I920-S924 PolarHBondContact O-N 2.82Å; S924-L927 PolarHBondContact O-N 2.85Å; S924-K928 WeakPolarHBondContact O-CG 3.27Å; S924-K928 PolarHBondContact O-N 2.69Å
925	S	72.1	Confident	64.2	Low	67 Å²	67	107.2 Å²	107.2	47%	0.469	56%	0.56	S	S	.	*	H	α-helix	trans	-64.5	-40.6	175.2	51.4	0	0	0	0	112.4	N921 S922 K928 S929	N921-S925 WeakPolarHBondContact O-CB 3.42Å; N921-S925 PolarHBondContact O-N 3.17Å; N921-S925 PolarHBondContact O-OG 3.39Å; S922-S925 WeakPolarHBondContact CA-OG 3.48Å; S922-S925 PolarHBondContact O-OG 2.86Å; S922-S925 VanDerWaalsContact O-OG 3.1Å; S925-K928 PolarHBondContact O-N 3.32Å; S925-S929 PolarHBondContact O-N 2.98Å; S925-S929 PolarHBondContact O-OG 3.2Å
926	K	78.7	Confident	63.1	Low	125 Å²	125	109.8 Å²	109.8	54%	0.543	57%	0.573	S	S	.	*	H	α-helix	trans	-62.9	-42.7	171.6	-76.8	168	-178.3	157	0	112.6	S922 L923 K928 S929 L930	S922-K926 WeakPolarHBondContact O-CB 3.49Å; S922-K926 WeakPolarHBondContact O-CD 3.33Å; S922-K926 VanDerWaalsContact O-CG 3.29Å; S922-K926 WeakPolarHBondContact O-CG 3.35Å; S922-K926 PolarHBondContact O-N 3.2Å; L923-K926 PolarHBondContact O-N 3.43Å; K926-K928 VanDerWaalsContact C-N 3.33Å; K926-K928 PolarHBondContact O-N 2.81Å; K926-S929 WeakPolarHBondContact CA-OG 3.31Å; K926-S929 PolarHBondContact O-N 3.26Å; K926-S929 PolarHBondContact O-OG 2.81Å; K926-L930 PolarHBondContact O-N 2.83Å
927	L	70.2	Confident	62	Low	116 Å²	116	111.3 Å²	111.3	61%	0.607	59%	0.588	S	S	*	*	H	α-helix	trans	-66.1	-36.1	178.2	-149.3	79.3	0	0	0	111.7	L923 S924 K931	L923-L927 WeakPolarHBondContact O-CB 3.16Å; L923-L927 PolarHBondContact O-N 2.96Å; S924-L927 PolarHBondContact O-N 2.85Å; L927-K931 PolarHBondContact O-N 3.42Å
928	K	71.4	Confident	60.7	Low	144 Å²	144	114 Å²	114	63%	0.626	61%	0.605	S	S	*	*	H	α-helix	trans	-63.6	-48.4	170.1	-75	-177	176.9	-172.6	0	111.6	S924 S925 K926 L930 K931 Q932	S924-K928 WeakPolarHBondContact O-CG 3.27Å; S924-K928 PolarHBondContact O-N 2.69Å; S925-K928 PolarHBondContact O-N 3.32Å; K926-K928 VanDerWaalsContact C-N 3.33Å; K926-K928 PolarHBondContact O-N 2.81Å; K928-L930 VanDerWaalsContact C-N 3.26Å; K928-L930 PolarHBondContact O-N 3.4Å; K928-K931 PolarHBondContact O-N 2.92Å; K928-K931 VanDerWaalsContact O-N 3.1Å; K928-Q932 PolarHBondContact O-N 2.72Å
929	S	64.2	Low	59	Low	67 Å²	67	116.7 Å²	116.7	47%	0.469	62%	0.619	S	S	.	*	H	α-helix	trans	-61.7	-31.8	177.7	66.1	0	0	0	0	113.7	S925 K926 Q932 T933	S925-S929 PolarHBondContact O-N 2.98Å; S925-S929 PolarHBondContact O-OG 3.2Å; K926-S929 WeakPolarHBondContact CA-OG 3.31Å; K926-S929 PolarHBondContact O-N 3.26Å; K926-S929 PolarHBondContact O-OG 2.81Å; S929-Q932 PolarHBondContact O-N 3.27Å; S929-T933 PolarHBondContact O-N 3.08Å; S929-T933 PolarHBondContact O-OG1 3.09Å
930	L	56.2	Low	57.4	Low	124 Å²	124	118.3 Å²	118.3	65%	0.649	63%	0.631	S	S	*	*	H	α-helix	trans	-75.6	-25.5	177.4	-147.9	77.7	0	0	0	112.7	K926 K928	K926-L930 PolarHBondContact O-N 2.83Å; K928-L930 VanDerWaalsContact C-N 3.26Å; K928-L930 PolarHBondContact O-N 3.4Å
931	K	52.3	Low	55.6	Low	155 Å²	155	119 Å²	119	67%	0.674	65%	0.645	S	S	*	*	H	α-helix	trans	-77.1	-40.4	168.6	-73.9	-171.3	173.4	-169	0	111.8	L927 K928 T933 Q934	L927-K931 PolarHBondContact O-N 3.42Å; K928-K931 PolarHBondContact O-N 2.92Å; K928-K931 VanDerWaalsContact O-N 3.1Å; K931-T933 PolarHBondContact O-N 2.83Å; K931-T933 VanDerWaalsContact O-N 3.13Å; K931-Q934 PolarHBondContact O-N 3Å; K931-Q934 VanDerWaalsContact O-N 3.13Å
932	Q	51.4	Low	53.6	Low	135 Å²	135	120 Å²	120	63%	0.631	66%	0.66	S	S	*	*	H	α-helix	trans	-62.5	-17.7	177.4	-151.1	76.7	41.4	0	0	113.5	K928 S929	K928-Q932 PolarHBondContact O-N 2.72Å; S929-Q932 PolarHBondContact O-N 3.27Å
933	T	43.2	Very low	51.9	Low	112 Å²	112	122.2 Å²	122.2	69%	0.687	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	15.7	177.4	34.4	0	0	0	0	114.2	S929 K931	S929-T933 PolarHBondContact O-N 3.08Å; S929-T933 PolarHBondContact O-OG1 3.09Å; K931-T933 PolarHBondContact O-N 2.83Å; K931-T933 VanDerWaalsContact O-N 3.13Å
934	Q	44	Very low	50.2	Low	181 Å²	181	126.9 Å²	126.9	85%	0.846	70%	0.696	S	S	*	*	S	Bend	trans	-127.8	7	168.7	-70.1	-165.3	-30.7	0	0	114	K931	K931-Q934 PolarHBondContact O-N 3Å; K931-Q934 VanDerWaalsContact O-N 3.13Å
935	S	40.1	Very low	48.5	Very low	74 Å²	74	134.3 Å²	134.3	52%	0.517	72%	0.722	S	S	.	*			trans	-115.9	50.5	-175.4	60.3	0	0	0	0	112.6
936	D	38.6	Very low	47	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	74%	0.738	S	S	*	*			trans	-152	65.5	177.5	-96.1	-42.3	0	0	0	111.1
937	T	40	Very low	44.9	Very low	135 Å²	135	139.4 Å²	139.4	83%	0.828	74%	0.744	S	S	*	*	S	Bend	trans	-167.4	128.6	155.5	1.7	0	0	0	0	113.7
938	L	35.5	Very low	43.2	Very low	161 Å²	161	142.2 Å²	142.2	84%	0.843	75%	0.748	S	S	*	*			trans	66.5	80.1	157.3	-55	179.4	0	0	0	119
939	N	36.5	Very low	41.4	Very low	158 Å²	158	143.2 Å²	143.2	85%	0.845	75%	0.752	S	S	*	*				-67.6	137.3	129.4	-76.2	-25.3	0	0	0	109.3
940	L	39.5	Very low	40.2	Very low	171 Å²	171	147.2 Å²	147.2	90%	0.895	76%	0.763	S	S	*	*				-167	166.3	122.2	-128.5	69.9	0	0	0	111.5
941	S	37.7	Very low	39.3	Very low	115 Å²	115	148.8 Å²	148.8	80%	0.804	77%	0.768	S	S	*	*			trans	-98.8	172.5	-154.2	54.9	0	0	0	0	115.8
942	S	33.1	Very low	38.6	Very low	120 Å²	120	146.8 Å²	146.8	84%	0.839	77%	0.773	S	S	*	*			trans	-99.9	130.8	179.8	48.7	0	0	0	0	112.2
943	A	39.1	Very low	37.7	Very low	95 Å²	95	148 Å²	148	79%	0.785	78%	0.781	S	S	*	*			trans	-133.9	115.2	174.9	0	0	0	0	0	113
944	K	38.8	Very low	37.9	Very low	213 Å²	213	147.8 Å²	147.8	93%	0.926	78%	0.781	S	S	*	*			trans	8.3	121.4	156.2	-60.6	167.9	-176	170.8	0	117.9
945	K	36.1	Very low	37.8	Very low	212 Å²	212	143.7 Å²	143.7	92%	0.922	77%	0.768	S	S	*	*			trans	-92	131.6	154.6	-82.8	-174.8	176.6	176.2	0	110.7
946	Q	40.5	Very low	37.7	Very low	173 Å²	173	149.5 Å²	149.5	81%	0.808	78%	0.781	S	S	*	*			trans	-132.5	130.8	154	-86.2	-156	10.2	0	0	111.9
947	N	35	Very low	37.8	Very low	125 Å²	125	149.6 Å²	149.6	67%	0.668	78%	0.776	S	S	*	*			trans	72.6	152.5	142.2	-87.2	-45.8	0	0	0	124.1
948	Y	35.3	Very low	37.7	Very low	175 Å²	175	150.1 Å²	150.1	69%	0.686	77%	0.769	S	S	*	*			trans	61.3	93.3	157.5	-71.7	-59.2	0	0	0	123.5
949	K	33.4	Very low	37.9	Very low	165 Å²	165	150.3 Å²	150.3	72%	0.717	76%	0.763	S	S	*	*				62.1	136.1	116.2	-84	-174.5	-166.7	169.9	0	121.6
950	Q	38.3	Very low	38	Very low	151 Å²	151	153.5 Å²	153.5	71%	0.706	77%	0.765	S	S	*	*			trans	108.1	120.6	134.1	-86.4	178.9	105.9	0	0	122.1
951	Q	37.9	Very low	37.9	Very low	158 Å²	158	150.3 Å²	150.3	74%	0.738	76%	0.757	S	S	*	*			trans	90.6	146.6	140	-66.9	179.1	38.4	0	0	122.7
952	S	37.6	Very low	38	Very low	113 Å²	113	152 Å²	152	79%	0.79	75%	0.752	S	S	*	*			trans	64.7	75.1	159.7	42.2	0	0	0	0	122
953	M	32.7	Very low	38.3	Very low	161 Å²	161	154 Å²	154	79%	0.793	75%	0.746	S	S	*	*				-11.1	151.3	117.7	-81.3	-74.7	-85	0	0	117.5
954	P	47.1	Very low	38.3	Very low	107 Å²	107	156.7 Å²	156.7	70%	0.695	75%	0.747	S	S	*	*				-154.6	137.8	84.8	38.6	-18.4	0	0	0	120.5
955	T	41.9	Very low	38.5	Very low	94 Å²	94	153.5 Å²	153.5	58%	0.577	74%	0.736	S	S	*	*			trans	62.3	156.2	142.3	62.9	0	0	0	0	120.2
956	Y	37.4	Very low	38.7	Very low	197 Å²	197	151 Å²	151	77%	0.773	73%	0.725	S	S	*	*			cis	-122.7	143.8	8.1	-92.2	-108	0	0	0	109.8
957	H	40	Very low	38.9	Very low	142 Å²	142	148.8 Å²	148.8	66%	0.657	72%	0.723	S	S	*	*				61.9	140.8	74.7	-81.4	-22.5	0	0	0	115
958	Q	38.9	Very low	39.1	Very low	147 Å²	147	151 Å²	151	69%	0.687	73%	0.729	S	S	*	*			cis	-153.7	142.5	17.2	-160.3	148.4	-51	0	0	116
959	K	39	Very low	39.4	Very low	164 Å²	164	150.1 Å²	150.1	71%	0.713	74%	0.735	S	S	*	*			trans	1.1	153.9	151.8	-53.4	172.6	175.7	-177.8	0	121.8
960	Y	38.2	Very low	39.9	Very low	225 Å²	225	149.9 Å²	149.9	88%	0.882	74%	0.741	S	S	*	*				-144	176.1	106.3	-116.3	-81.3	0	0	0	111.3
961	S	38	Very low	39.8	Very low	105 Å²	105	147.3 Å²	147.3	73%	0.734	74%	0.74	S	S	*	*			trans	-167.6	-165.2	-174.8	-159.2	0	0	0	0	112.2
962	E	39.6	Very low	40.1	Very low	149 Å²	149	146.9 Å²	146.9	70%	0.696	74%	0.742	S	S	*	*			trans	80.6	150.2	175.8	-50.4	-178.6	176.8	0	0	116
963	K	40.5	Very low	40.4	Very low	163 Å²	163	149.2 Å²	149.2	71%	0.709	74%	0.74	S	S	*	*			cis	-139.7	141	3.9	-107.1	124.4	178.9	157.4	0	108.7
964	N	39.4	Very low	40.6	Very low	151 Å²	151	146 Å²	146	81%	0.807	73%	0.734	S	S	*	*				56.9	122.8	81.2	-73.4	0	0	0	0	117
965	E	42.8	Very low	40.1	Very low	147 Å²	147	145.8 Å²	145.8	69%	0.687	74%	0.735	S	S	*	*				-179.3	136.7	108.2	-89.2	-145.4	142	0	0	114.7
966	K	40.4	Very low	39.8	Very low	159 Å²	159	146.1 Å²	146.1	69%	0.691	74%	0.741	S	S	*	*			trans	60.2	153.7	144.3	-63.3	171.4	-174.1	148.2	0	119.9
967	T	42.7	Very low	39.7	Very low	126 Å²	126	143.5 Å²	143.5	77%	0.773	75%	0.746	S	S	*	*			cis	-146.3	164.8	5.5	-16.9	0	0	0	0	112.5
968	H	39.6	Very low	39.6	Very low	173 Å²	173	142 Å²	142	80%	0.801	75%	0.751	S	S	*	*			trans	-55.9	155.4	175.1	-59.7	-106.2	0	0	0	115.5
969	L	43.2	Very low	39.5	Very low	155 Å²	155	142.6 Å²	142.6	81%	0.812	76%	0.758	S	S	*	*				-168.4	126.1	106.7	-100.9	168.3	0	0	0	114.3
970	L	42.7	Very low	40	Very low	161 Å²	161	140.5 Å²	140.5	84%	0.843	76%	0.761	S	S	*	*			trans	49.7	159.5	154.5	-75.4	168.8	0	0	0	122.6
971	S	36.3	Very low	40.1	Very low	97 Å²	97	136.9 Å²	136.9	68%	0.678	75%	0.752	S	S	*	*			trans	-142.7	141.3	-170	55.5	0	0	0	0	109.9
972	D	44.1	Very low	40.2	Very low	148 Å²	148	140.3 Å²	140.3	79%	0.791	76%	0.757	S	S	*	*			trans	-137.3	124.7	163.2	-82.5	-55.4	0	0	0	110.7
973	H	43.3	Very low	40.1	Very low	162 Å²	162	139.3 Å²	139.3	75%	0.75	75%	0.752	S	S	*	*				27.2	113	122.3	-61.4	-66.1	0	0	0	118.2
974	S	37.4	Very low	40.2	Very low	95 Å²	95	142.1 Å²	142.1	66%	0.664	76%	0.76	S	S	*	*				94.7	135.2	50.7	70.9	0	0	0	0	115.2
975	S	37.4	Very low	40.2	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	75%	0.754	S	S	*	*			trans	66.1	105.7	157.5	60.6	0	0	0	0	122
976	S	35.7	Very low	40.1	Very low	100 Å²	100	141.9 Å²	141.9	70%	0.699	75%	0.753	S	S	*	*				62.7	153.8	127.9	62.3	0	0	0	0	123.4
977	T	35	Very low	40	Very low	142 Å²	142	140.4 Å²	140.4	87%	0.871	75%	0.753	S	S	*	*			trans	66.1	151.4	170.9	41.7	0	0	0	0	116.3
978	S	36.9	Very low	39.7	Very low	110 Å²	110	141.7 Å²	141.7	77%	0.769	75%	0.75	S	S	*	*			cis	-147.4	169	5.8	54.3	0	0	0	0	113.3
979	L	37.3	Very low	39.4	Very low	160 Å²	160	143.9 Å²	143.9	84%	0.838	75%	0.751	S	S	*	*			trans	-62.5	161.4	166.6	-76.6	154.4	0	0	0	113.2
980	P	48.8	Very low	39.2	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	75%	0.752	S	S	*	*				-145.7	179.8	102.3	37.9	-22.6	0	0	0	115.3
981	H	41.7	Very low	38.9	Very low	149 Å²	149	143.8 Å²	143.8	69%	0.69	75%	0.747	S	S	*	*			cis	172.2	120.8	-36.6	-170.5	65.5	0	0	0	110.6
982	Q	38.8	Very low	38.8	Very low	178 Å²	178	144.8 Å²	144.8	83%	0.832	74%	0.744	S	S	*	*			trans	175.1	119.3	159.4	-99.9	156.2	16.7	0	0	106.7
983	Q	38.7	Very low	38.3	Very low	127 Å²	127	146.5 Å²	146.5	59%	0.593	74%	0.741	S	S	*	*				68.4	124.8	61.7	-64.6	-170.9	-55.2	0	0	112.6
984	Y	42.5	Very low	37.9	Very low	222 Å²	222	147 Å²	147	87%	0.871	74%	0.738	S	S	*	*				-134.6	171.9	54.9	-96.5	-99.8	0	0	0	117.8
985	H	39.2	Very low	37.8	Very low	147 Å²	147	151.6 Å²	151.6	68%	0.681	74%	0.74	S	S	*	*			trans	-89.3	-179.2	169.8	-75.2	-108.6	0	0	0	110.9
986	H	40.5	Very low	37.9	Very low	146 Å²	146	153 Å²	153	68%	0.676	74%	0.735	S	S	*	*			cis	-167.1	159.7	33.9	-121	-61.6	0	0	0	113.2
987	D	38.1	Very low	38	Very low	129 Å²	129	157.1 Å²	157.1	69%	0.69	74%	0.743	S	S	*	*			trans	47.1	138.6	146.4	-68.8	8	0	0	0	122.7
988	H	37.1	Very low	38.1	Very low	153 Å²	153	156.4 Å²	156.4	71%	0.708	73%	0.729	S	S	*	*			cis	112.7	122.6	29.9	-126.7	-9.7	0	0	0	111.2
989	R	33.2	Very low	38.1	Very low	218 Å²	218	157.8 Å²	157.8	82%	0.823	72%	0.724	S	S	*	*			trans	52.1	120.4	152.6	-74.8	173.7	158.1	178.3	-4.2	120.2
990	L	38.1	Very low	38.2	Very low	160 Å²	160	158.7 Å²	158.7	84%	0.838	72%	0.723	S	S	*	*				-170.2	118	116.2	-93.2	150.2	0	0	0	106.8
991	Q	36.8	Very low	37.6	Very low	155 Å²	155	158.9 Å²	158.9	72%	0.724	71%	0.713	S	S	*	*				58.2	118.2	75.7	-100	-168.8	5.1	0	0	116.7
992	N	33.4	Very low	37.4	Very low	118 Å²	118	159.6 Å²	159.6	63%	0.631	72%	0.717	S	S	*	*			trans	86.6	117.4	134.7	-70.3	-26.6	0	0	0	122.5
993	Y	33.9	Very low	37.3	Very low	183 Å²	183	157.4 Å²	157.4	72%	0.718	71%	0.706	S	S	*	*				96.7	145.2	128	-96.6	-113.3	0	0	0	122
994	Y	36.3	Very low	37.1	Very low	174 Å²	174	156.5 Å²	156.5	68%	0.682	71%	0.714	S	S	*	*			trans	75.2	138	160.8	-69.7	-50.1	0	0	0	118.4
995	R	35.5	Very low	36.7	Very low	191 Å²	191	150.4 Å²	150.4	72%	0.721	70%	0.704	S	S	*	*			cis	-160.8	152.3	-4.6	-156.5	161.1	-164	166.2	2.3	113.9
996	H	37.7	Very low	36.6	Very low	130 Å²	130	149.3 Å²	149.3	60%	0.602	71%	0.707	S	S	*	*			trans	-7.7	141.3	168.9	-53.6	-64.5	0	0	0	121.5
997	H	39.1	Very low	36.2	Very low	188 Å²	188	147 Å²	147	87%	0.87	71%	0.707	S	S	*	*				-152.1	99.7	110.7	-107.1	-77.8	0	0	0	113.8
998	H	37.1	Very low	36.2	Very low	126 Å²	126	146.1 Å²	146.1	58%	0.583	71%	0.709	S	S	*	*			trans	22.4	126.5	141.1	-75	-66.9	0	0	0	125.1
999	H	35.9	Very low	36	Very low	140 Å²	140	144.6 Å²	144.6	65%	0.648	71%	0.713	S	S	*	*				42.4	136.3	129.3	-59.7	-33.7	0	0	0	121.1
1000	H	39.3	Very low	36.1	Very low	179 Å²	179	139.9 Å²	139.9	83%	0.829	71%	0.712	S	S	*	*				-142.6	164.6	52.8	-104.8	-95.9	0	0	0	116.7
1001	H	36.1	Very low	35.9	Very low	124 Å²	124	140.1 Å²	140.1	57%	0.574	71%	0.713	S	S	*	*			trans	-66	154.5	167.4	-72.6	-109.9	0	0	0	111.2	H1003	H1001-H1003 AromaticContact ND1-CD2 3.64Å; H1001-H1003 AromaticContact ND1-NE2 3.28Å; H1001-H1003 PolarHBondContact ND1-NE2 2.75Å
1002	H	37.7	Very low	35.8	Very low	163 Å²	163	141 Å²	141	76%	0.755	72%	0.718	S	S	*	*				-157.8	135	70.1	-90.4	-91.5	0	0	0	111
1003	H	38.2	Very low	35.8	Very low	133 Å²	133	143.1 Å²	143.1	62%	0.616	73%	0.729	S	S	*	*				53.3	95.6	90.6	-66.7	-74.1	0	0	0	112.5	H1001	H1001-H1003 AromaticContact ND1-CD2 3.64Å; H1001-H1003 AromaticContact ND1-NE2 3.28Å; H1001-H1003 PolarHBondContact ND1-NE2 2.75Å
1004	S	33.7	Very low	35.9	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	72%	0.721	S	S	*	*				86.1	152	87.6	73	0	0	0	0	112.3
1005	S	34.8	Very low	35.8	Very low	94 Å²	94	140.2 Å²	140.2	66%	0.657	73%	0.733	S	S	*	*			cis	-159.8	-176.2	16.5	56.3	0	0	0	0	112.6
1006	T	36.5	Very low	35.7	Very low	123 Å²	123	137.2 Å²	137.2	76%	0.755	73%	0.731	S	S	*	*			trans	60.1	106.8	146.7	45.6	0	0	0	0	120.8
1007	S	31.2	Very low	35.5	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	73%	0.732	S	S	*	*			trans	-37.6	152.4	145.6	52.9	0	0	0	0	117.4
1008	P	38.6	Very low	35.2	Very low	112 Å²	112	138.4 Å²	138.4	73%	0.727	73%	0.73	S	S	*	*			trans	-100.7	117.2	150	33.8	-25.1	0	0	0	111.9
1009	P	33.2	Very low	35	Very low	120 Å²	120	140.9 Å²	140.9	78%	0.779	73%	0.734	S	S	*	*			trans	-84.4	123.4	164.3	32.1	-29.6	0	0	0	110.1
1010	C	35	Very low	35	Very low	120 Å²	120	140 Å²	140	81%	0.811	74%	0.742	S	S	*	*			trans	-117	77	178.2	-68.5	0	0	0	0	112
1011	L	34.1	Very low	34.7	Very low	165 Å²	165	140.1 Å²	140.1	86%	0.864	74%	0.74	S	S	*	*			trans	-65.6	123	150.7	-90.9	160.1	0	0	0	108.4
1012	E	35	Very low	34.7	Very low	174 Å²	174	139.6 Å²	139.6	81%	0.813	75%	0.751	S	S	*	*			trans	-149.4	106.2	153.7	-148.8	171.5	-147.4	0	0	113.2
1013	N	33.5	Very low	34.5	Very low	162 Å²	162	140.6 Å²	140.6	87%	0.866	76%	0.756	S	S	*	*			trans	-79.4	114.4	163.7	-84	-56.3	0	0	0	109
1014	S	36.2	Very low	34.4	Very low	80 Å²	80	139 Å²	139	56%	0.559	77%	0.766	S	S	*	*			trans	-127.8	83.2	170.8	51.4	0	0	0	0	112.9	L1016	S1014-L1016 VanDerWaalsContact C-N 3.32Å; S1014-L1016 PolarHBondContact O-N 2.89Å
1015	K	32.9	Very low	34.5	Very low	215 Å²	215	140.7 Å²	140.7	94%	0.935	77%	0.766	S	S	*	*			trans	-62.2	94.8	152.5	-84.2	-176.9	175.1	176	0	108.4	E1017	K1015-E1017 PolarHBondContact O-N 3.44Å
1016	L	34.4	Very low	34.6	Very low	129 Å²	129	144 Å²	144	68%	0.675	78%	0.775	S	S	*	*			trans	-96.8	86.8	172.9	-97.4	164.5	0	0	0	111.3	S1014 Y1018	S1014-L1016 VanDerWaalsContact C-N 3.32Å; S1014-L1016 PolarHBondContact O-N 2.89Å; L1016-Y1018 HydrophobicContact CB-CD2 4.43Å; L1016-Y1018 HydrophobicContact CB-CE2 4.48Å; L1016-Y1018 HydrophobicContact CD2-CE2 4.45Å; L1016-Y1018 PolarHBondContact O-N 2.9Å
1017	E	32.5	Very low	34.6	Very low	135 Å²	135	143.3 Å²	143.3	63%	0.631	77%	0.773	S	S	*	*			trans	-68.5	87.9	174.2	-171.5	-168.7	161.8	0	0	110.5	K1015 R1019	K1015-E1017 PolarHBondContact O-N 3.44Å; E1017-R1019 VanDerWaalsContact C-N 3.27Å; E1017-R1019 HydrophobicContact CG-CG 4.19Å; E1017-R1019 PolarHBondContact O-N 3.49Å; E1017-R1019 IonicContact OE1-CZ 3.86Å; E1017-R1019 VanDerWaalsContact OE1-CZ 3.26Å; E1017-R1019 IonicContact OE1-NE 2.72Å; E1017-R1019 PolarHBondContact OE1-NE 2.86Å; E1017-R1019 IonicContact OE1-NH2 2.58Å; E1017-R1019 PolarHBondContact OE1-NH2 2.97Å
1018	Y	33.1	Very low	34.6	Very low	207 Å²	207	146.2 Å²	146.2	81%	0.812	78%	0.779	S	S	*	*			trans	-71.3	76.8	177.6	-99.5	-83.9	0	0	0	112.7	L1016 C1020	L1016-Y1018 HydrophobicContact CB-CD2 4.43Å; L1016-Y1018 HydrophobicContact CB-CE2 4.48Å; L1016-Y1018 HydrophobicContact CD2-CE2 4.45Å; L1016-Y1018 PolarHBondContact O-N 2.9Å; Y1018-C1020 PolarHBondContact O-N 2.98Å
1019	R	33.6	Very low	34.4	Very low	179 Å²	179	148.9 Å²	148.9	68%	0.675	78%	0.781	S	S	*	*			trans	-69.7	93.5	167.2	-73.7	-170.7	178	-176.8	4.9	111.3	E1017	E1017-R1019 VanDerWaalsContact C-N 3.27Å; E1017-R1019 HydrophobicContact CG-CG 4.19Å; E1017-R1019 PolarHBondContact O-N 3.49Å; E1017-R1019 IonicContact OE1-CZ 3.86Å; E1017-R1019 VanDerWaalsContact OE1-CZ 3.26Å; E1017-R1019 IonicContact OE1-NE 2.72Å; E1017-R1019 PolarHBondContact OE1-NE 2.86Å; E1017-R1019 IonicContact OE1-NH2 2.58Å; E1017-R1019 PolarHBondContact OE1-NH2 2.97Å
1020	C	34.7	Very low	34.4	Very low	121 Å²	121	150.3 Å²	150.3	82%	0.818	78%	0.777	S	S	*	*			trans	-98	95.7	161.4	-152.1	0	0	0	0	109.7	Y1018	Y1018-C1020 PolarHBondContact O-N 2.98Å
1021	K	33.2	Very low	34.5	Very low	181 Å²	181	155.5 Å²	155.5	79%	0.787	78%	0.782	S	S	*	*			trans	-97.9	111.6	174.5	-76.6	-170.1	176.2	-172.5	0	110.8
1022	S	36.5	Very low	34.5	Very low	114 Å²	114	156.2 Å²	156.2	80%	0.797	78%	0.778	S	S	*	*			trans	-143.2	126.3	154.9	52.6	0	0	0	0	109.5
1023	Q	33.7	Very low	34.3	Very low	183 Å²	183	154 Å²	154	86%	0.855	77%	0.772	S	S	*	*			trans	-96.4	137.7	-176.9	-67.1	170.2	-74.9	0	0	110.6
1024	A	36.4	Very low	34.3	Very low	101 Å²	101	153.2 Å²	153.2	84%	0.835	77%	0.768	S	S	*	*			trans	-146.6	86.2	164.8	0	0	0	0	0	109.5
1025	N	35.4	Very low	34.3	Very low	142 Å²	142	157.1 Å²	157.1	76%	0.759	78%	0.782	S	S	*	*			trans	-78.9	121.1	179.9	-69.6	-9.3	0	0	0	111.5
1026	I	37.1	Very low	34.4	Very low	164 Å²	164	154 Å²	154	84%	0.841	77%	0.774	S	S	*	*			trans	-140.5	125.2	149.6	-56.2	-176.9	0	0	0	107.9
1027	P	36.3	Very low	34.5	Very low	109 Å²	109	155.1 Å²	155.1	71%	0.708	78%	0.78	S	S	*	*			trans	-97.5	151.1	-172.8	36.5	-35	0	0	0	115.1
1028	I	31.7	Very low	34.7	Very low	157 Å²	157	154.8 Å²	154.8	81%	0.805	78%	0.782	S	S	*	*			trans	28.5	119	141.2	-50.4	173.8	0	0	0	118.2
1029	H	33.9	Very low	34.9	Very low	168 Å²	168	152.4 Å²	152.4	78%	0.778	78%	0.779	S	S	*	*			trans	-145.8	161	132.9	-130	-87.6	0	0	0	112.1
1030	Q	34.2	Very low	35.4	Very low	150 Å²	150	148.3 Å²	148.3	70%	0.701	78%	0.775	S	S	*	*			trans	-69.1	158.7	-174.4	-52.1	135.9	-51.6	0	0	113
1031	Y	35.5	Very low	35.6	Very low	229 Å²	229	152.3 Å²	152.3	90%	0.898	78%	0.779	S	S	*	*				-157.1	149.4	128.6	-109.9	-72.7	0	0	0	111.7
1032	F	34.2	Very low	35.8	Very low	180 Å²	180	148 Å²	148	79%	0.789	77%	0.772	S	S	*	*			trans	-149.2	141.9	177.7	-151.9	-75.7	0	0	0	107.6
1033	N	30.7	Very low	35.9	Very low	128 Å²	128	153.7 Å²	153.7	68%	0.684	78%	0.778	S	S	*	*			trans	68.7	170.2	-176.3	-62.6	-31.6	0	0	0	117.8
1034	D	35.2	Very low	36.3	Very low	146 Å²	146	148.7 Å²	148.7	78%	0.781	78%	0.775	S	S	*	*			trans	75.4	136.8	171.8	-63.7	2	0	0	0	117.6
1035	L	35.8	Very low	36.5	Very low	162 Å²	162	151.4 Å²	151.4	85%	0.848	77%	0.771	S	S	*	*			cis	-155.3	-166.1	-17.1	-149.5	85.1	0	0	0	110.8
1036	L	33.9	Very low	36.8	Very low	149 Å²	149	150.9 Å²	150.9	78%	0.78	77%	0.768	S	S	*	*			trans	-104.1	167.5	-174.5	-113	161.6	0	0	0	113.2
1037	L	37.6	Very low	36.9	Very low	153 Å²	153	149 Å²	149	80%	0.801	76%	0.76	S	S	*	*			trans	72	136.5	160.2	-79.7	153.8	0	0	0	119.1
1038	D	36.8	Very low	37.1	Very low	127 Å²	127	151.7 Å²	151.7	68%	0.679	76%	0.763	S	S	*	*				-165.9	168.2	95.7	-161.3	24.6	0	0	0	114.3
1039	Q	36.8	Very low	37.5	Very low	157 Å²	157	152 Å²	152	73%	0.734	77%	0.766	S	S	*	*			trans	97.4	138	164.2	-56.8	-77.9	-60.9	0	0	119.1
1040	P	43.6	Very low	37.4	Very low	93 Å²	93	149.6 Å²	149.6	60%	0.604	76%	0.763	S	S	*	*			trans	-139.5	174.3	-145.4	39.9	-19.2	0	0	0	118.1
1041	F	40	Very low	37.8	Very low	205 Å²	205	152.6 Å²	152.6	90%	0.899	77%	0.774	S	S	*	*			trans	163.2	157.5	145.3	-82.7	-34.8	0	0	0	111
1042	S	35.9	Very low	37.6	Very low	91 Å²	91	148.1 Å²	148.1	64%	0.636	76%	0.764	S	S	*	*			cis	-169.5	135.4	-21.8	56.2	0	0	0	0	112.2
1043	Y	39.6	Very low	38	Very low	233 Å²	233	147.8 Å²	147.8	91%	0.914	77%	0.768	S	S	*	*			trans	53.2	133.9	158	-80.4	-73.9	0	0	0	123.2
1044	G	42.2	Very low	38.1	Very low	78 Å²	78	148.4 Å²	148.4	80%	0.804	77%	0.767	S	S	*	*			trans	158.7	76.2	162.3	0	0	0	0	0	115.8
1045	E	41.1	Very low	38.1	Very low	159 Å²	159	148.7 Å²	148.7	74%	0.743	77%	0.769	S	S	*	*			trans	-93.1	154.7	-178.2	-60.4	170.2	119.3	0	0	113.9
1046	N	41.8	Very low	38	Very low	131 Å²	131	148.3 Å²	148.3	70%	0.701	76%	0.762	S	S	*	*				168	123.8	112.7	-92.3	-77.1	0	0	0	114.9
1047	N	38.5	Very low	38.2	Very low	124 Å²	124	146.4 Å²	146.4	66%	0.663	76%	0.762	S	S	*	*			trans	50	109.4	133.6	-57.7	-3.7	0	0	0	120.3
1048	E	39.8	Very low	38.1	Very low	165 Å²	165	145.8 Å²	145.8	77%	0.771	76%	0.759	S	S	*	*				78.6	122.4	81.8	-79	-166.9	158.4	0	0	115.9
1049	N	40.4	Very low	38.1	Very low	163 Å²	163	145.2 Å²	145.2	87%	0.872	76%	0.756	S	S	*	*				-170.3	150.7	116	-110.4	-87.3	0	0	0	112.5
1050	V	32.8	Very low	38.1	Very low	118 Å²	118	145.4 Å²	145.4	72%	0.715	76%	0.757	S	S	*	*			trans	-113.5	145.1	-176	172.9	0	0	0	0	111	I1052	V1050-I1052 HydrophobicContact CG1-CG1 4.35Å
1051	K	41	Very low	37.5	Very low	214 Å²	214	144.8 Å²	144.8	93%	0.93	75%	0.754	S	S	*	*			trans	-151.8	141.6	152.4	-120.7	163.2	-171.4	171.1	0	113.9
1052	I	32.6	Very low	37.2	Very low	135 Å²	135	143.8 Å²	143.8	69%	0.692	75%	0.746	S	S	*	*			trans	-110.2	139.7	-171.7	-61.7	160	0	0	0	109.2	V1050 Q1054	V1050-I1052 HydrophobicContact CG1-CG1 4.35Å; I1052-Q1054 HydrophobicContact CG2-CG 4.43Å
1053	I	41.3	Very low	36.9	Very low	172 Å²	172	145.5 Å²	145.5	88%	0.882	76%	0.757	S	S	*	*			trans	-137	138.7	154	-63.6	-174	0	0	0	108.1
1054	Q	33.1	Very low	36.6	Very low	142 Å²	142	144.3 Å²	144.3	66%	0.664	75%	0.752	S	S	*	*			trans	-101.1	158	179.4	-60.7	166.8	-80.6	0	0	111.6	I1052	I1052-Q1054 HydrophobicContact CG2-CG 4.43Å
1055	N	35.8	Very low	36.1	Very low	151 Å²	151	147.1 Å²	147.1	81%	0.807	75%	0.749	S	S	*	*			trans	179.7	114.3	136.7	-85.8	-21.5	0	0	0	106.4
1056	Q	34.5	Very low	35.7	Very low	154 Å²	154	146.2 Å²	146.2	72%	0.72	75%	0.748	S	S	*	*				88.4	148.8	54.1	-74.4	-162.1	3.5	0	0	114.3
1057	S	37.8	Very low	35.3	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	75%	0.749	S	S	*	*			trans	71.5	123.1	-164.2	59.6	0	0	0	0	115.4
1058	N	35.4	Very low	35	Very low	140 Å²	140	144.6 Å²	144.6	75%	0.749	75%	0.746	S	S	*	*			cis	93.7	137.5	36	-75.6	61.8	0	0	0	111.6
1059	D	37.2	Very low	34.7	Very low	115 Å²	115	147 Å²	147	62%	0.615	76%	0.755	S	S	*	*			cis	-149.4	173.1	14.7	-89.4	-48.7	0	0	0	113.9
1060	H	35.6	Very low	34.5	Very low	162 Å²	162	147.6 Å²	147.6	75%	0.75	75%	0.752	S	S	*	*			trans	66.1	123.3	158.4	-59.8	-45.6	0	0	0	119.7
1061	S	31.5	Very low	34.6	Very low	79 Å²	79	146 Å²	146	55%	0.552	75%	0.751	S	S	*	*			cis	77.2	129.3	46.2	77.4	0	0	0	0	113.9
1062	Y	33	Very low	34.2	Very low	184 Å²	184	143.8 Å²	143.8	72%	0.722	75%	0.749	S	S	*	*			cis	-139.5	156.3	33.4	-77.6	-103.5	0	0	0	114.8	Y1064	Y1062-Y1064 HydrophobicContact CD1-CE2 4.01Å
1063	C	29.7	Very low	34.3	Very low	128 Å²	128	146.1 Å²	146.1	87%	0.865	76%	0.757	S	S	*	*			trans	-128.7	143	150.5	-69.6	0	0	0	0	108.1
1064	Y	34	Very low	34	Very low	208 Å²	208	146.2 Å²	146.2	82%	0.816	76%	0.756	S	S	*	*			trans	-100.9	150.1	166.1	-89.8	-85.9	0	0	0	110.5	Y1062	Y1062-Y1064 HydrophobicContact CD1-CE2 4.01Å
1065	N	30.9	Very low	34.1	Very low	137 Å²	137	146.6 Å²	146.6	73%	0.733	76%	0.763	S	S	*	*			trans	-147.8	-178.8	-170.1	-159.6	-4.4	0	0	0	106.5
1066	L	32.8	Very low	34	Very low	140 Å²	140	149 Å²	149	73%	0.733	76%	0.762	S	S	*	*			trans	73	149.5	172.3	-48.2	121.4	0	0	0	114.5
1067	D	32.9	Very low	34	Very low	135 Å²	135	148.6 Å²	148.6	72%	0.722	77%	0.77	S	S	*	*			cis	-147.6	169.6	-0.2	-136.5	-33.8	0	0	0	114.6
1068	S	33.2	Very low	33.9	Very low	86 Å²	86	147.8 Å²	147.8	60%	0.601	76%	0.761	S	S	*	*			trans	-59.5	160.2	174.1	57.7	0	0	0	0	115.8
1069	F	33.7	Very low	34	Very low	216 Å²	216	147.5 Å²	147.5	95%	0.947	76%	0.764	S	S	*	*			trans	-132.2	149.1	141.4	-111.1	-83	0	0	0	110.5
1070	Q	36	Very low	34	Very low	174 Å²	174	148 Å²	148	81%	0.813	77%	0.765	S	S	*	*			trans	-131.7	140.1	-167.6	-173.2	-177.1	28.2	0	0	110
1071	A	33.9	Very low	34.3	Very low	84 Å²	84	147.3 Å²	147.3	69%	0.694	76%	0.762	S	S	*	*			trans	53.7	125.5	164.1	0	0	0	0	0	119.2
1072	N	34	Very low	34.8	Very low	168 Å²	168	150.5 Å²	150.5	90%	0.898	77%	0.773	S	S	*	*				-152.5	149.8	117.4	-102.1	-36.1	0	0	0	110.9
1073	Q	34.8	Very low	35.2	Very low	184 Å²	184	147.8 Å²	147.8	86%	0.86	77%	0.771	S	S	*	*			trans	-84.9	142.1	173.2	-61.4	166.6	-53.9	0	0	109.7
1074	M	34.2	Very low	35.7	Very low	175 Å²	175	145.4 Å²	145.4	86%	0.862	77%	0.768	S	S	*	*			trans	-152.4	124.7	137.5	-79.2	-153.6	173.1	0	0	109.1
1075	D	34.9	Very low	36.5	Very low	150 Å²	150	141.3 Å²	141.3	80%	0.802	76%	0.761	S	S	*	*			trans	-68.4	143.5	156.5	-63	-70.8	0	0	0	109.1
1076	Y	34.3	Very low	37.3	Very low	200 Å²	200	142 Å²	142	78%	0.784	76%	0.764	S	S	*	*			trans	-157.2	97	145.7	-99.3	-64.1	0	0	0	111.2	T1078	Y1076-T1078 PolarHBondContact O-N 3.19Å
1077	T	33.2	Very low	38.3	Very low	146 Å²	146	141 Å²	141	90%	0.896	76%	0.759	S	S	*	*			trans	-74.8	104.7	156.2	39.9	0	0	0	0	108.9
1078	T	36.4	Very low	39.4	Very low	93 Å²	93	141 Å²	141	57%	0.571	76%	0.76	S	S	*	*			trans	-139	112.7	167.6	-30.4	0	0	0	0	110.7	Y1076 I1080	Y1076-T1078 PolarHBondContact O-N 3.19Å; T1078-I1080 HydrophobicContact CG2-CD1 3.92Å; T1078-I1080 HydrophobicContact CG2-CG1 3.69Å
1079	V	37.4	Very low	40.6	Very low	133 Å²	133	143.9 Å²	143.9	81%	0.806	77%	0.768	S	S	*	*			trans	-75.9	122.9	161.6	174.4	0	0	0	0	106.9
1080	I	38.2	Very low	41.9	Very low	125 Å²	125	140.8 Å²	140.8	64%	0.641	76%	0.761	S	S	*	*			trans	-131.3	100.1	171.4	-59.6	-176.3	0	0	0	107.6	T1078	T1078-I1080 HydrophobicContact CG2-CD1 3.92Å; T1078-I1080 HydrophobicContact CG2-CG1 3.69Å
1081	H	41.8	Very low	42.8	Very low	148 Å²	148	140.3 Å²	140.3	69%	0.685	77%	0.765	S	S	*	*			trans	-65.6	144	145.6	-79.2	-106.5	0	0	0	108
1082	N	41.3	Very low	43.9	Very low	147 Å²	147	143.5 Å²	143.5	79%	0.786	77%	0.77	S	S	*	*			trans	-157.5	133.9	145.9	-96.4	-41.2	0	0	0	107.8
1083	D	42.1	Very low	45	Very low	127 Å²	127	141.8 Å²	141.8	68%	0.679	77%	0.765	S	S	*	*			trans	-91.7	-176.6	-168.1	-49.1	-79.3	0	0	0	110.7
1084	G	39.6	Very low	46	Very low	78 Å²	78	140.8 Å²	140.8	80%	0.804	76%	0.76	S	S	*	*			trans	-161.4	47.5	-167.5	0	0	0	0	0	112.3
1085	D	50.2	Low	46.8	Very low	122 Å²	122	140.8 Å²	140.8	65%	0.652	76%	0.758	S	S	*	*			trans	-62.5	151.8	-178.8	-44.4	-75	0	0	0	112.2
1086	N	48.8	Very low	47.8	Very low	150 Å²	150	139.6 Å²	139.6	80%	0.802	76%	0.756	S	S	*	*			trans	-157	107.2	144.1	-88	-99.1	0	0	0	105.6
1087	D	53.3	Low	48.5	Very low	119 Å²	119	136.8 Å²	136.8	64%	0.636	76%	0.755	S	S	*	*				45	131.4	92.9	-46.9	5.3	0	0	0	114.8
1088	D	56.6	Low	49.6	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	75%	0.753	S	S	*	*			cis	-161.7	-162.8	7.6	-103.9	-20.8	0	0	0	109.5
1089	D	58.1	Low	50.2	Low	145 Å²	145	142.3 Å²	142.3	78%	0.775	77%	0.769	S	S	*	*			trans	82.4	75.7	161.7	-58.2	-27	0	0	0	118.3
1090	D	60.3	Low	51	Low	151 Å²	151	145.1 Å²	145.1	81%	0.807	77%	0.774	S	S	*	*				31.4	130.2	112.9	-56.9	-10.7	0	0	0	120.7
1091	D	56.3	Low	51.7	Low	165 Å²	165	148.7 Å²	148.7	88%	0.882	79%	0.787	S	S	*	*				-164.1	137.7	121	-115.8	-19.6	0	0	0	110.4
1092	D	56.9	Low	52.1	Low	151 Å²	151	150 Å²	150	81%	0.807	79%	0.794	S	S	*	*			trans	-71.1	164.3	-171.7	-61.2	-63.1	0	0	0	115.2
1093	V	57.5	Low	52.4	Low	131 Å²	131	150 Å²	150	79%	0.794	79%	0.794	S	S	*	*				176.7	116.9	110.1	155.3	0	0	0	0	111.7
1094	E	54.7	Low	52.9	Low	163 Å²	163	150.8 Å²	150.8	76%	0.762	80%	0.798	S	S	*	*			trans	22.4	121.6	144.3	-58.7	-178.9	174.8	0	0	120.1
1095	E	50.5	Low	53.4	Low	175 Å²	175	154.2 Å²	154.2	82%	0.818	79%	0.793	S	S	*	*				67.6	122.6	100.2	-60.4	-168.8	171.2	0	0	115.9
1096	V	56.9	Low	53.3	Low	126 Å²	126	155.2 Å²	155.2	76%	0.764	80%	0.799	S	S	*	*				-174.2	152.2	95.4	155.5	0	0	0	0	108.1
1097	D	49.1	Very low	53.2	Low	140 Å²	140	151.6 Å²	151.6	75%	0.749	80%	0.797	S	S	*	*			trans	-68.6	164.4	-179.3	-45.4	-89.2	0	0	0	113.9
1098	D	55.9	Low	53	Low	162 Å²	162	154.9 Å²	154.9	87%	0.866	81%	0.808	S	S	*	*				-175.5	141	118.6	-91	-28.7	0	0	0	110.2
1099	E	49.4	Very low	52.8	Low	194 Å²	194	157.3 Å²	157.3	91%	0.907	82%	0.815	S	S	*	*			trans	-100	126.2	175.5	-63.4	-179.7	150.5	0	0	110
1100	E	54.6	Low	52.5	Low	192 Å²	192	157.4 Å²	157.4	90%	0.897	82%	0.816	S	S	*	*			trans	-135.6	116.7	158.7	-72.3	-166.5	153.1	0	0	111
1101	E	51.6	Low	52.1	Low	199 Å²	199	154.8 Å²	154.8	93%	0.93	82%	0.815	S	S	*	*			trans	-82	125.5	153.8	-60.1	179.3	134.7	0	0	107.4
1102	E	51.6	Low	51.9	Low	176 Å²	176	154.4 Å²	154.4	82%	0.822	81%	0.813	S	S	*	*			trans	-141.8	140.4	153.4	-81.9	-148.9	151.6	0	0	111.4
1103	D	47.3	Very low	51.8	Low	148 Å²	148	155.7 Å²	155.7	79%	0.791	81%	0.814	S	S	*	*			trans	-69.9	155.5	165.5	-58.2	-76.9	0	0	0	110.9
1104	N	50.9	Low	51.5	Low	142 Å²	142	156.3 Å²	156.3	76%	0.759	81%	0.813	S	S	*	*			trans	-173.4	123.2	140.3	-93.5	-66.9	0	0	0	106
1105	E	50.3	Low	51.4	Low	151 Å²	151	156.5 Å²	156.5	71%	0.706	82%	0.819	S	S	*	*				68.6	121.3	56.4	-70.4	-145.9	-168.8	0	0	115.1
1106	N	48.2	Very low	51.7	Low	143 Å²	143	156.8 Å²	156.8	77%	0.765	82%	0.821	S	S	*	*			trans	56.4	103.1	148.5	-47.9	-30.9	0	0	0	118.7
1107	G	46.9	Very low	51.5	Low	74 Å²	74	158 Å²	158	76%	0.763	82%	0.823	S	S	*	*			trans	-149.5	75.2	165.3	0	0	0	0	0	110.2	E1109	G1107-E1109 PolarHBondContact O-N 3.21Å
1108	E	50.7	Low	51.9	Low	188 Å²	188	159.3 Å²	159.3	88%	0.879	83%	0.83	S	S	*	*			trans	-77.4	110.5	164.3	-67.6	179.6	144.6	0	0	107.2
1109	E	52.1	Low	51.7	Low	188 Å²	188	158.2 Å²	158.2	88%	0.879	82%	0.824	S	S	*	*			trans	-100.7	99.1	170.5	-71.4	-169.9	154.8	0	0	108.6	G1107 A1111	G1107-E1109 PolarHBondContact O-N 3.21Å; E1109-A1111 PolarHBondContact O-N 2.91Å
1110	D	50.4	Low	51.9	Low	146 Å²	146	155.7 Å²	155.7	78%	0.781	82%	0.817	S	S	*	*			trans	-63.2	123.5	167.9	-66.4	-51.7	0	0	0	109.3
1111	A	52.5	Low	51.7	Low	97 Å²	97	154.7 Å²	154.7	80%	0.802	81%	0.812	S	S	*	*			trans	-110.3	69.8	177	0	0	0	0	0	110.1	E1109 E1113	E1109-A1111 PolarHBondContact O-N 2.91Å; A1111-E1113 PolarHBondContact O-N 3.07Å; A1111-E1113 VanDerWaalsContact O-N 3.15Å
1112	D	51.4	Low	51.9	Low	156 Å²	156	153.5 Å²	153.5	83%	0.834	81%	0.806	S	S	*	*			trans	-70.9	94.2	168.3	-71.1	-29.8	0	0	0	109.6
1113	E	55.4	Low	51.8	Low	179 Å²	179	152.6 Å²	152.6	84%	0.836	81%	0.807	S	S	*	*			trans	-131.1	97.1	164	-73.7	-167	166.2	0	0	110.7	A1111	A1111-E1113 PolarHBondContact O-N 3.07Å; A1111-E1113 VanDerWaalsContact O-N 3.15Å
1114	D	51.4	Low	52.5	Low	143 Å²	143	153.3 Å²	153.3	77%	0.765	81%	0.811	S	S	*	*			trans	59.5	82.7	146.2	-51.6	-24.5	0	0	0	119.9	E1116	D1114-E1116 PolarHBondContact O-N 3.41Å
1115	D	53.4	Low	52.4	Low	167 Å²	167	154 Å²	154	89%	0.893	82%	0.815	S	S	*	*			trans	-75	101.4	147.7	-81.6	-43.4	0	0	0	109.1	D1117	D1115-D1117 PolarHBondContact O-N 2.93Å
1116	E	56	Low	52.2	Low	181 Å²	181	150.2 Å²	150.2	85%	0.846	82%	0.817	S	S	*	*			trans	-83.1	87.7	169.6	-72.9	-172.8	144.6	0	0	110.8	D1114 D1118	D1114-E1116 PolarHBondContact O-N 3.41Å; E1116-D1118 PolarHBondContact O-N 2.97Å
1117	D	52.8	Low	52.1	Low	153 Å²	153	152.2 Å²	152.2	82%	0.818	82%	0.822	S	S	*	*			trans	-75.3	104.1	159.5	-84	-36.1	0	0	0	109.1	D1115	D1115-D1117 PolarHBondContact O-N 2.93Å
1118	D	57.4	Low	51.9	Low	167 Å²	167	157.8 Å²	157.8	89%	0.893	83%	0.828	S	S	*	*			trans	-89.9	110.8	166.8	-108.8	-15	0	0	0	109	E1116	E1116-D1118 PolarHBondContact O-N 2.97Å
1119	D	52.1	Low	51.7	Low	138 Å²	138	157.5 Å²	157.5	74%	0.738	83%	0.827	S	S	*	*			trans	-75	179.9	175	-82.3	-52	0	0	0	112.9
1120	D	53.6	Low	51.4	Low	142 Å²	142	157.1 Å²	157.1	76%	0.759	83%	0.825	S	S	*	*			trans	71	146	158.4	-59.7	-21.5	0	0	0	118.7
1121	E	50.7	Low	50.8	Low	170 Å²	170	158.2 Å²	158.2	79%	0.794	83%	0.825	S	S	*	*			cis	-160.9	-167.7	-18.2	-120	-172.3	168.6	0	0	108.1
1122	E	55.2	Low	50.2	Low	174 Å²	174	157.3 Å²	157.3	81%	0.813	83%	0.825	S	S	*	*			trans	73.9	83.3	163.4	-54.2	-164.4	168.3	0	0	119.3
1123	D	49.7	Very low	49.5	Very low	157 Å²	157	155.6 Å²	155.6	84%	0.84	82%	0.816	S	S	*	*				21.7	130.8	114.2	-53	-18.3	0	0	0	120.4
1124	D	61.3	Low	48.6	Very low	164 Å²	164	154 Å²	154	88%	0.877	81%	0.811	S	S	*	*			trans	-153.1	139.7	133.3	-157.9	7.3	0	0	0	111.1
1125	D	49.8	Very low	48.2	Very low	155 Å²	155	152.6 Å²	152.6	83%	0.829	81%	0.81	S	S	*	*			trans	-109.3	151	-171.7	-68.8	-47.6	0	0	0	111.8
1126	G	45.6	Very low	47.2	Very low	73 Å²	73	150.6 Å²	150.6	75%	0.753	81%	0.809	S	S	*	*			trans	-176.6	81.3	177.6	0	0	0	0	0	118.9
1127	E	45.9	Very low	46.2	Very low	185 Å²	185	145.9 Å²	145.9	86%	0.864	81%	0.809	S	S	*	*			trans	21	114.4	143.3	-56.1	176.3	169.9	0	0	118.1
1128	E	43.6	Very low	45.2	Very low	191 Å²	191	143.5 Å²	143.5	89%	0.893	80%	0.804	S	S	*	*				78.2	166.4	64	-69.3	-145.6	154.7	0	0	116.4
1129	E	45.3	Very low	44	Very low	182 Å²	182	142.1 Å²	142.1	85%	0.85	80%	0.797	S	S	*	*			trans	70	136.8	178.2	-67	-169.5	-168.6	0	0	119.2
1130	E	45.1	Very low	43.1	Very low	180 Å²	180	142 Å²	142	84%	0.841	80%	0.796	S	S	*	*			cis	-158.6	-170.5	-20.2	-140	-164.4	-170.1	0	0	111.7
1131	E	39	Very low	42.2	Very low	169 Å²	169	144.5 Å²	144.5	79%	0.79	80%	0.796	S	S	*	*			trans	-78.4	166.2	-167.1	-55.2	-169.9	143.8	0	0	117.4
1132	G	39.4	Very low	41.6	Very low	77 Å²	77	144.1 Å²	144.1	79%	0.794	80%	0.8	S	S	*	*			trans	-155.9	13.3	-172.5	0	0	0	0	0	121.9
1133	N	36.2	Very low	40.8	Very low	120 Å²	120	141.8 Å²	141.8	64%	0.642	79%	0.793	S	S	*	*			trans	26.2	117.2	159.9	-80.5	-62.7	0	0	0	123.3
1134	I	38.3	Very low	40.2	Very low	146 Å²	146	142.5 Å²	142.5	75%	0.749	80%	0.795	S	S	*	*				68.5	155.6	125.7	-67.8	175.6	0	0	0	118.3
1135	P	41.1	Very low	39	Very low	114 Å²	114	140 Å²	140	74%	0.74	79%	0.786	S	S	*	*			cis	-128.2	175.8	7.3	25.2	-0.8	0	0	0	117.8
1136	S	32.8	Very low	38.5	Very low	124 Å²	124	137.4 Å²	137.4	87%	0.867	78%	0.78	S	S	*	*			trans	-64.3	148.3	163.4	56	0	0	0	0	115.5
1137	G	35.8	Very low	38.1	Very low	82 Å²	82	139.7 Å²	139.7	85%	0.845	78%	0.775	S	S	*	*			trans	-143.8	150.7	165.8	0	0	0	0	0	111.1
1138	S	31.4	Very low	38	Very low	103 Å²	103	139.3 Å²	139.3	72%	0.72	77%	0.773	S	S	*	*			trans	-137.5	158.9	-159.6	60.8	0	0	0	0	116.5
1139	N	32.1	Very low	37.7	Very low	138 Å²	138	135.1 Å²	135.1	74%	0.738	76%	0.756	S	S	*	*			trans	98.4	131.1	151.8	-59.7	-26.9	0	0	0	121.6
1140	N	33.5	Very low	37.5	Very low	135 Å²	135	133 Å²	133	72%	0.722	75%	0.751	S	S	*	*			trans	76.4	105.9	143	-63.1	8.4	0	0	0	122.1
1141	Y	34.6	Very low	37	Very low	195 Å²	195	131.9 Å²	131.9	77%	0.765	74%	0.743	S	S	*	*				32.6	135.9	103.5	-76.6	-84	0	0	0	120.1
1142	D	38.8	Very low	36.8	Very low	163 Å²	163	130.1 Å²	130.1	87%	0.872	75%	0.748	S	S	*	*				-158.8	157.9	103.9	-96.2	-20.6	0	0	0	112.2
1143	D	36.9	Very low	36.5	Very low	124 Å²	124	132.3 Å²	132.3	66%	0.663	75%	0.746	S	S	*	*			trans	-84.2	162	-172.4	-67.8	-60.8	0	0	0	115.3
1144	I	38.6	Very low	36.4	Very low	173 Å²	173	133.7 Å²	133.7	89%	0.887	75%	0.75	S	S	*	*			trans	-137	120.1	142.2	-58.8	-175.5	0	0	0	110.1
1145	T	36	Very low	36.3	Very low	110 Å²	110	135 Å²	135	68%	0.675	75%	0.751	S	S	*	*			trans	-105	167.6	173.6	57	0	0	0	0	112.2
1146	S	39	Very low	35.9	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	75%	0.75	S	S	*	*				155.5	172.5	108.4	-48.5	0	0	0	0	109.4
1147	D	37.9	Very low	35.8	Very low	120 Å²	120	136 Å²	136	64%	0.642	75%	0.748	S	S	*	*			cis	-149.4	-141	-5.5	-157.1	-94.3	0	0	0	109.2
1148	E	42.5	Very low	35.6	Very low	178 Å²	178	141.1 Å²	141.1	83%	0.832	75%	0.75	S	S	*	*			trans	51.6	91.4	164	-53.9	-151	142.8	0	0	116.8
1149	I	38.3	Very low	35.5	Very low	102 Å²	102	145.4 Å²	145.4	52%	0.523	76%	0.756	S	S	.	*			cis	64.4	99.5	21.4	-46.5	-177.4	0	0	0	111.8	K1151	I1149-K1151 VanDerWaalsContact CG2-NZ 3.31Å
1150	N	39.8	Very low	35.5	Very low	139 Å²	139	146.6 Å²	146.6	74%	0.743	76%	0.757	S	S	*	*				-166.9	171.9	86.2	-86.6	-76.4	0	0	0	112.6
1151	K	36.1	Very low	35.2	Very low	155 Å²	155	146.1 Å²	146.1	67%	0.674	76%	0.759	S	S	*	*			cis	169.4	102.2	-43.7	177.4	-177.5	-66.3	126.6	0	110.6	I1149	I1149-K1151 VanDerWaalsContact CG2-NZ 3.31Å
1152	C	34.8	Very low	35.1	Very low	132 Å²	132	147.2 Å²	147.2	89%	0.892	76%	0.763	S	S	*	*			trans	-152.3	134.6	166.1	-131	0	0	0	0	113.8
1153	T	31.3	Very low	34.8	Very low	123 Å²	123	144.6 Å²	144.6	76%	0.755	76%	0.755	S	S	*	*			trans	-149.4	-177.1	-171.5	52.6	0	0	0	0	112.5
1154	M	35.3	Very low	34.5	Very low	150 Å²	150	143.9 Å²	143.9	74%	0.739	76%	0.758	S	S	*	*			trans	91.1	147.6	178	-56.2	-162.9	-171.3	0	0	114.9
1155	K	34.6	Very low	34.2	Very low	174 Å²	174	142.2 Å²	142.2	76%	0.757	75%	0.752	S	S	*	*			cis	-168.6	161.3	-7.2	-108.3	167.5	-178	162.8	0	106.8
1156	S	34.1	Very low	34.3	Very low	104 Å²	104	143.3 Å²	143.3	73%	0.727	76%	0.763	S	S	*	*			cis	-173.4	167.4	-21.2	44.6	0	0	0	0	109.8
1157	N	29.9	Very low	34.2	Very low	155 Å²	155	146 Å²	146	83%	0.829	77%	0.769	S	S	*	*			trans	-53.3	143.9	179.5	-58.4	-21.8	0	0	0	115.1
1158	Q	32.8	Very low	34	Very low	189 Å²	189	148 Å²	148	88%	0.883	77%	0.772	S	S	*	*				-169.3	165.6	119.6	-106.1	171.5	10.9	0	0	114.1
1159	F	27.9	Very low	33.8	Very low	193 Å²	193	148.7 Å²	148.7	85%	0.846	77%	0.769	S	S	*	*			trans	-67.7	152.8	-174.2	-66.5	-110.4	0	0	0	113.6
1160	H	31.9	Very low	33.9	Very low	163 Å²	163	149.5 Å²	149.5	76%	0.755	78%	0.782	S	S	*	*				-162.2	133.9	119.6	-114.5	-74.4	0	0	0	113.8
1161	T	28.7	Very low	33.5	Very low	125 Å²	125	149.1 Å²	149.1	77%	0.767	78%	0.784	S	S	*	*			trans	-77.4	145.3	161.2	40.4	0	0	0	0	110.8
1162	Y	32.3	Very low	33.7	Very low	217 Å²	217	147.7 Å²	147.7	85%	0.851	78%	0.784	S	S	*	*			trans	-122.1	127.6	171.1	-90	-82.9	0	0	0	111.6
1163	P	32	Very low	34	Very low	109 Å²	109	149.3 Å²	149.3	71%	0.708	78%	0.776	S	S	*	*			trans	-106.5	157.7	173.5	38.9	-32.2	0	0	0	113.5
1164	C	30.2	Very low	34.1	Very low	108 Å²	108	151 Å²	151	73%	0.73	78%	0.777	S	S	*	*			trans	48.9	135.8	146.9	-91	0	0	0	0	124.1
1165	D	31.8	Very low	34.5	Very low	139 Å²	139	149.7 Å²	149.7	74%	0.743	78%	0.78	S	S	*	*			trans	79.2	115.3	138.1	-56.9	-6.5	0	0	0	121.7
1166	S	39.9	Very low	34.5	Very low	132 Å²	132	148.1 Å²	148.1	92%	0.923	78%	0.778	S	S	*	*			trans	-150.1	132.6	148.3	-79.1	0	0	0	0	109.8
1167	L	34.9	Very low	34.6	Very low	159 Å²	159	151.5 Å²	151.5	83%	0.832	78%	0.78	S	S	*	*			trans	-98.7	164	-152.4	-95	157.5	0	0	0	116.4
1168	K	35.4	Very low	34.9	Very low	163 Å²	163	151 Å²	151	71%	0.709	77%	0.773	S	S	*	*			trans	76	141.4	157.3	-72.7	166.6	176.4	179.4	0	117.2
1169	Y	38.5	Very low	35.2	Very low	192 Å²	192	151.1 Å²	151.1	75%	0.753	77%	0.773	S	S	*	*			cis	-148.5	152.2	38.3	-117.4	-77.2	0	0	0	115.7
1170	C	38.7	Very low	35.6	Very low	119 Å²	119	150.2 Å²	150.2	80%	0.804	77%	0.772	S	S	*	*			trans	64.4	146.5	159.7	-84.6	0	0	0	0	121.9
1171	T	32.8	Very low	35.9	Very low	130 Å²	130	145.7 Å²	145.7	80%	0.798	77%	0.769	S	S	*	*			trans	-142.7	154.5	-173.6	51.6	0	0	0	0	110.4
1172	D	40	Very low	36.4	Very low	125 Å²	125	149 Å²	149	67%	0.668	77%	0.773	S	S	*	*			trans	-159.5	130.8	143.1	-120.9	-12.3	0	0	0	116.6
1173	K	41.1	Very low	36.9	Very low	166 Å²	166	144.5 Å²	144.5	72%	0.722	76%	0.763	S	S	*	*			trans	53.3	93.9	147.1	-67.3	156.3	-171.6	124.6	0	122.6
1174	M	34.1	Very low	37.3	Very low	158 Å²	158	146.8 Å²	146.8	78%	0.778	76%	0.764	S	S	*	*				27.5	149.2	104.9	-130.3	-172.6	-177.7	0	0	120.5
1175	P	43.1	Very low	37.5	Very low	123 Å²	123	145.6 Å²	145.6	80%	0.799	76%	0.757	S	S	*	*				-147.8	149.3	93.3	39	-24.1	0	0	0	117
1176	I	34	Very low	37.9	Very low	141 Å²	141	150 Å²	150	72%	0.723	77%	0.765	S	S	*	*			trans	-145.2	125.4	153.6	-61	-179.5	0	0	0	108
1177	K	36.5	Very low	37.8	Very low	175 Å²	175	151.9 Å²	151.9	76%	0.761	76%	0.759	S	S	*	*			trans	-176.5	134.4	142.3	-108.8	-176.9	176.6	-155.5	0	114.5
1178	Q	36	Very low	38.1	Very low	145 Å²	145	149.7 Å²	149.7	68%	0.678	75%	0.752	S	S	*	*			trans	40	126.5	139.9	-63.5	173.8	-80.8	0	0	120.2
1179	H	39.2	Very low	38.3	Very low	192 Å²	192	148.4 Å²	148.4	89%	0.889	75%	0.753	S	S	*	*			trans	-133.1	131.6	150.3	-141.3	-68.3	0	0	0	109.1
1180	E	37.3	Very low	38.5	Very low	174 Å²	174	144.4 Å²	144.4	81%	0.813	75%	0.745	S	S	*	*			trans	-99.6	159.5	169.5	-66.5	177.5	155.2	0	0	109.4
1181	G	38.6	Very low	38.7	Very low	67 Å²	67	146.2 Å²	146.2	69%	0.691	74%	0.739	S	S	*	*			trans	173.9	105.1	178	0	0	0	0	0	113.9
1182	F	39.1	Very low	39.5	Very low	196 Å²	196	145.9 Å²	145.9	86%	0.86	74%	0.737	S	S	*	*			trans	8	136.1	139.1	-68.6	-105.9	0	0	0	117
1183	D	41.3	Very low	39.9	Very low	122 Å²	122	145.6 Å²	145.6	65%	0.652	74%	0.735	S	S	*	*			cis	-165.3	171.7	47	-119.6	-30.1	0	0	0	117.1
1184	H	40.9	Very low	40.4	Very low	157 Å²	157	144.6 Å²	144.6	73%	0.727	73%	0.731	S	S	*	*			trans	7	120.7	157.7	-66.3	-61	0	0	0	120.7
1185	S	33.8	Very low	41	Very low	83 Å²	83	143.1 Å²	143.1	58%	0.58	73%	0.726	S	S	*	*				84.8	104.7	51.8	77.7	0	0	0	0	117.1
1186	Y	41.2	Very low	41.5	Very low	231 Å²	231	141.2 Å²	141.2	91%	0.906	72%	0.715	S	S	*	*			trans	-177.2	116.9	149.9	-78.2	-60.9	0	0	0	106
1187	H	38	Very low	42.4	Very low	172 Å²	172	141 Å²	141	80%	0.796	72%	0.716	S	S	*	*			cis	89.6	143.9	31.1	-147.4	14.3	0	0	0	113.8
1188	T	40.6	Very low	43.2	Very low	113 Å²	113	139.9 Å²	139.9	69%	0.693	72%	0.718	S	S	*	*			trans	77.1	120.6	-169.5	70.9	0	0	0	0	115.1
1189	N	40.6	Very low	43.9	Very low	135 Å²	135	141.5 Å²	141.5	72%	0.722	73%	0.726	S	S	*	*				78.6	149.2	73	-54.8	-5.8	0	0	0	111.3
1190	D	42.8	Very low	44.6	Very low	109 Å²	109	138.5 Å²	138.5	58%	0.583	72%	0.716	S	S	*	*			cis	-165.5	164.9	-4.4	-131.6	-36.9	0	0	0	108.7
1191	K	42.9	Very low	45.2	Very low	157 Å²	157	136.7 Å²	136.7	68%	0.683	71%	0.712	S	S	*	*			trans	62.8	124.9	150.5	-71.2	163	-176.6	66	0	118.6
1192	V	48	Very low	45.8	Very low	123 Å²	123	138.9 Å²	138.9	75%	0.745	71%	0.708	S	S	*	*				89	147.4	55.8	162.1	0	0	0	0	112
1193	D	49.5	Very low	46.2	Very low	119 Å²	119	135.9 Å²	135.9	64%	0.636	70%	0.701	S	S	*	*			trans	84.8	132.9	177.5	-72.2	2.4	0	0	0	116.7
1194	K	50.1	Low	46.5	Very low	144 Å²	144	135.8 Å²	135.8	63%	0.626	70%	0.7	S	S	*	*			cis	-168.5	-178.8	-13.2	-133.9	-178.1	-160.6	80.9	0	111.3
1195	D	47.6	Very low	46.8	Very low	128 Å²	128	137 Å²	137	68%	0.684	71%	0.706	S	S	*	*			trans	63.6	116.4	158.9	-48	-26.4	0	0	0	116.5
1196	S	52.8	Low	47.4	Very low	82 Å²	82	142.2 Å²	142.2	57%	0.573	71%	0.713	S	S	*	*			cis	101.2	147.8	26.5	91.8	0	0	0	0	113.9
1197	D	53.3	Low	47.5	Very low	138 Å²	138	138 Å²	138	74%	0.738	71%	0.706	S	S	*	*			cis	-104.3	-103.4	3.4	-79.9	-90.1	0	0	0	113.7
1198	D	52.6	Low	47.7	Very low	151 Å²	151	136.5 Å²	136.5	81%	0.807	70%	0.704	S	S	*	*			cis	-141.7	176.5	3.5	-80.4	-92.2	0	0	0	110.5
1199	E	52.2	Low	47.7	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	71%	0.712	S	S	*	*			trans	-85.3	161.7	-166.6	-79.8	-177.8	-167.7	0	0	116.7
1200	D	53	Low	47.7	Very low	129 Å²	129	139.7 Å²	139.7	69%	0.69	72%	0.717	S	S	*	*			cis	-167.6	177.9	-26	-144.2	-23.5	0	0	0	110.6
1201	D	51.3	Low	47.4	Very low	135 Å²	135	140.5 Å²	140.5	72%	0.722	72%	0.717	S	S	*	*			trans	61.1	152.8	158.3	-87.6	-17.1	0	0	0	121.3
1202	N	51	Low	47.3	Very low	114 Å²	114	141 Å²	141	61%	0.61	73%	0.726	S	S	*	*				-171.2	157.7	-51.3	-117.8	-48.5	0	0	0	111.1
1203	N	47.2	Very low	46.9	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	73%	0.73	S	S	*	*			trans	66	112.7	154.8	-63.8	-42.4	0	0	0	123
1204	D	47.2	Very low	46.3	Very low	120 Å²	120	143.9 Å²	143.9	64%	0.642	73%	0.733	S	S	*	*				49.8	108.2	128	-82.5	-23.8	0	0	0	121.2
1205	H	47.4	Very low	45.7	Very low	182 Å²	182	146.9 Å²	146.9	84%	0.843	74%	0.741	S	S	*	*				-165.7	106.7	103.4	-93.2	31.6	0	0	0	107.2
1206	R	45.9	Very low	45.4	Very low	193 Å²	193	148.6 Å²	148.6	73%	0.728	75%	0.748	S	S	*	*				62.8	127.6	80.8	-77.1	-157.4	-175.9	-169.3	2.6	116.4
1207	D	44.2	Very low	44.6	Very low	143 Å²	143	150 Å²	150	77%	0.765	75%	0.75	S	S	*	*			trans	67.2	101	156.9	-50.2	-20.9	0	0	0	118.2
1208	N	40.8	Very low	43.8	Very low	140 Å²	140	151 Å²	151	75%	0.749	76%	0.755	S	S	*	*				159.5	46.6	97.3	-167.6	46.3	0	0	0	116.3	N1210	N1208-N1210 PolarHBondContact O-N 3.07Å
1209	D	41.8	Very low	43.3	Very low	161 Å²	161	152.4 Å²	152.4	86%	0.861	76%	0.761	S	S	*	*			trans	-80.5	96.6	174.3	-76.5	-48.3	0	0	0	113.3
1210	N	39.7	Very low	42.6	Very low	155 Å²	155	152.6 Å²	152.6	83%	0.829	76%	0.762	S	S	*	*			trans	-151.2	32.4	172	-96.6	-66	0	0	0	113.5	N1208	N1208-N1210 PolarHBondContact O-N 3.07Å
1211	E	37.9	Very low	42	Very low	125 Å²	125	153.6 Å²	153.6	58%	0.584	77%	0.767	S	S	*	*			trans	-136	38.2	-173.4	-148.3	-168.9	126.2	0	0	116.2	R1215	E1211-R1215 IonicContact OE1-CZ 3.5Å; E1211-R1215 IonicContact OE1-NE 2.74Å; E1211-R1215 PolarHBondContact OE1-NE 2.78Å; E1211-R1215 IonicContact OE1-NH2 3.39Å; E1211-R1215 PolarHBondContact OE1-NH2 2.73Å
1212	I	40.2	Very low	41.2	Very low	168 Å²	168	154.8 Å²	154.8	86%	0.862	77%	0.774	S	S	*	*	S	Bend	trans	-121.4	60.4	171.2	-44.7	-177.2	0	0	0	111.3
1213	M	39.1	Very low	40.3	Very low	170 Å²	170	155.1 Å²	155.1	84%	0.837	78%	0.784	S	S	*	*	S	Bend	trans	-149.1	-17	169.2	-105.4	-66.8	171.6	0	0	115.3
1214	D	36.7	Very low	39.7	Very low	133 Å²	133	158.2 Å²	158.2	71%	0.711	79%	0.794	S	S	*	*	S	Bend	trans	-109.5	11.9	-171	-82.2	-46.9	0	0	0	115.5
1215	R	38.7	Very low	39.1	Very low	207 Å²	207	160 Å²	160	78%	0.781	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	16.4	-177.1	-71.3	-165.4	-178.5	-159.3	2.2	116.8	E1211	E1211-R1215 IonicContact OE1-CZ 3.5Å; E1211-R1215 IonicContact OE1-NE 2.74Å; E1211-R1215 PolarHBondContact OE1-NE 2.78Å; E1211-R1215 IonicContact OE1-NH2 3.39Å; E1211-R1215 PolarHBondContact OE1-NH2 2.73Å
1216	I	40.9	Very low	38.5	Very low	164 Å²	164	154 Å²	154	84%	0.841	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	0.1	175.2	-64.8	178.7	0	0	0	112.3
1217	N	35.8	Very low	37.9	Very low	112 Å²	112	152.5 Å²	152.5	60%	0.599	80%	0.795	S	S	*	*	S	Bend	trans	-122.7	68.1	-177	-62.4	-61.1	0	0	0	112.8
1218	N	35.6	Very low	37.6	Very low	159 Å²	159	156.6 Å²	156.6	85%	0.85	80%	0.802	S	S	*	*			trans	-169.1	77.2	163.7	-90.9	-41	0	0	0	110.6
1219	L	41.9	Very low	37.3	Very low	179 Å²	179	158.8 Å²	158.8	94%	0.937	81%	0.807	S	S	*	*			trans	-159.6	50.8	166.8	-116.8	167.7	0	0	0	111.2
1220	E	38.4	Very low	36.9	Very low	184 Å²	184	159.6 Å²	159.6	86%	0.86	81%	0.806	S	S	*	*			trans	-110.9	170.4	162.4	-69.1	-177.5	134	0	0	108.6
1221	D	39.9	Very low	36.6	Very low	149 Å²	149	157.3 Å²	157.3	80%	0.797	80%	0.797	S	S	*	*			trans	64.1	80.9	-176.3	-61.7	-17.8	0	0	0	116.3
1222	N	34.5	Very low	36.5	Very low	160 Å²	160	159.6 Å²	159.6	86%	0.856	81%	0.81	S	S	*	*				166.9	103.2	110.4	-86.4	-61.2	0	0	0	113.7
1223	C	32.5	Very low	36	Very low	121 Å²	121	158.7 Å²	158.7	82%	0.818	81%	0.806	S	S	*	*			trans	-164.5	128.6	142.8	-117.3	0	0	0	0	111.1
1224	Q	34	Very low	35.8	Very low	197 Å²	197	159.3 Å²	159.3	92%	0.921	80%	0.804	S	S	*	*			trans	-104.5	104	175.7	-65.4	177.2	-73.6	0	0	110.3
1225	I	36.1	Very low	35.5	Very low	158 Å²	158	160.5 Å²	160.5	81%	0.81	81%	0.806	S	S	*	*			trans	-145.6	134.7	158.3	-65.8	95.4	0	0	0	105
1226	G	34.8	Very low	35.3	Very low	55 Å²	55	162.1 Å²	162.1	57%	0.567	81%	0.814	S	S	*	*			cis	152.5	103.8	0.1	0	0	0	0	0	108.9
1227	D	33.4	Very low	34.8	Very low	162 Å²	162	160.8 Å²	160.8	87%	0.866	81%	0.808	S	S	*	*			trans	-68	136.3	-168.4	-49.3	-68.9	0	0	0	112.9
1228	Y	37.3	Very low	34.8	Very low	229 Å²	229	160.6 Å²	160.6	90%	0.898	81%	0.811	S	S	*	*			trans	-141.9	90.5	168.6	-94.6	-73	0	0	0	112
1229	E	35.1	Very low	34.7	Very low	186 Å²	186	160.8 Å²	160.8	87%	0.869	81%	0.807	S	S	*	*			trans	-80.1	166.3	154.5	-76	-172.6	136.7	0	0	111.5
1230	E	32.1	Very low	34.3	Very low	178 Å²	178	158.2 Å²	158.2	83%	0.832	80%	0.804	S	S	*	*			trans	-11.4	165.7	161.6	-148	179.4	166.6	0	0	122.2
1231	V	33.3	Very low	34	Very low	107 Å²	107	157.3 Å²	157.3	65%	0.648	80%	0.797	S	S	*	*			trans	82.1	104.7	162.8	-164.3	0	0	0	0	117.6
1232	M	35.9	Very low	33.9	Very low	174 Å²	174	159.4 Å²	159.4	86%	0.857	80%	0.802	S	S	*	*				-169	147.4	111.3	-103.7	-56.4	164.2	0	0	115.2
1233	L	30.1	Very low	33.9	Very low	149 Å²	149	156.9 Å²	156.9	78%	0.78	79%	0.792	S	S	*	*			trans	-123.4	123.4	167.8	-92	164.4	0	0	0	108.6
1234	K	34.4	Very low	34	Very low	182 Å²	182	158.7 Å²	158.7	79%	0.791	79%	0.793	S	S	*	*			trans	163	142.3	130.3	-90.3	156.5	-172	168.9	0	114.5
1235	Q	30.4	Very low	33.7	Very low	159 Å²	159	154.6 Å²	154.6	74%	0.743	79%	0.785	S	S	*	*			trans	40	122.5	140.7	-58.3	174.2	-99.6	0	0	119.7
1236	Y	35.3	Very low	33.8	Very low	241 Å²	241	155 Å²	155	95%	0.945	79%	0.787	S	S	*	*				-143.3	155.1	110.8	-100.3	-72.2	0	0	0	110.8
1237	D	29.8	Very low	33.7	Very low	136 Å²	136	156.5 Å²	156.5	73%	0.727	79%	0.79	S	S	*	*			trans	-151	123.5	-178.6	169.2	22.3	0	0	0	107.5
1238	T	35.3	Very low	33.8	Very low	107 Å²	107	155.7 Å²	155.7	66%	0.656	78%	0.78	S	S	*	*			trans	176.2	135	132.3	26.1	0	0	0	0	114.4
1239	Q	33.4	Very low	33.8	Very low	164 Å²	164	151.8 Å²	151.8	77%	0.766	77%	0.771	S	S	*	*			trans	61.1	115.9	140	-64.2	174.5	91.1	0	0	121.1
1240	S	35	Very low	33.9	Very low	125 Å²	125	149.4 Å²	149.4	87%	0.874	76%	0.764	S	S	*	*				-133	154	110.7	-170.6	0	0	0	0	110.3
1241	K	31.9	Very low	34.3	Very low	164 Å²	164	146.4 Å²	146.4	71%	0.713	76%	0.762	S	S	*	*			trans	-132.5	138.7	173.8	-79.1	-179	176.6	175	0	108.3
1242	H	37.2	Very low	34.6	Very low	194 Å²	194	146.9 Å²	146.9	90%	0.898	77%	0.768	S	S	*	*			trans	-134.3	164.6	146	-127.9	-97.5	0	0	0	111.7
1243	V	34.2	Very low	34.8	Very low	107 Å²	107	145.7 Å²	145.7	65%	0.648	77%	0.765	S	S	*	*			trans	-131.3	138.7	-154.4	176.7	0	0	0	0	109.6
1244	L	35.1	Very low	35.3	Very low	159 Å²	159	146.4 Å²	146.4	83%	0.832	76%	0.764	S	S	*	*				-178.5	146.9	127.5	-96.7	162.9	0	0	0	111.7
1245	S	27.6	Very low	35.5	Very low	110 Å²	110	144.5 Å²	144.5	77%	0.769	76%	0.763	S	S	*	*			trans	-142.7	124.4	177	58.2	0	0	0	0	109.1
1246	I	37.8	Very low	36	Very low	166 Å²	166	143.3 Å²	143.3	85%	0.851	76%	0.761	S	S	*	*			trans	-131.8	153.6	172.3	-63.3	-177	0	0	0	107.7
1247	S	33.7	Very low	36.2	Very low	88 Å²	88	137.6 Å²	137.6	62%	0.615	75%	0.747	S	S	*	*			trans	-123.4	168.3	-159.2	53.4	0	0	0	0	114.5
1248	Q	34	Very low	36.5	Very low	144 Å²	144	138.7 Å²	138.7	67%	0.673	75%	0.752	S	S	*	*			trans	82.1	127	150.6	-79.8	161.2	-85.4	0	0	121.4
1249	E	37.1	Very low	36.6	Very low	148 Å²	148	138.6 Å²	138.6	69%	0.692	76%	0.755	S	S	*	*				101.4	134	125.9	-78.2	158.4	-161.4	0	0	122.5
1250	D	38.6	Very low	36.9	Very low	135 Å²	135	135.7 Å²	135.7	72%	0.722	75%	0.753	S	S	*	*			trans	74.9	81.1	145.3	-63.3	1.8	0	0	0	124
1251	S	39.2	Very low	37.5	Very low	115 Å²	115	134.9 Å²	134.9	80%	0.804	74%	0.739	S	S	*	*				84.3	152.7	121.1	77.6	0	0	0	0	120.5
1252	P	41.4	Very low	38.3	Very low	117 Å²	117	134.5 Å²	134.5	76%	0.76	74%	0.743	S	S	*	*			trans	-113.6	159.5	-172.5	41.2	-32.1	0	0	0	115
1253	N	38.6	Very low	38.8	Very low	149 Å²	149	129.5 Å²	129.5	80%	0.797	73%	0.726	S	S	*	*			trans	-165	166.8	143.7	-126.5	-5.3	0	0	0	113.8
1254	E	40.1	Very low	39.6	Very low	165 Å²	165	128.4 Å²	128.4	77%	0.771	72%	0.716	S	S	*	*			trans	67.1	114	169.2	-67.1	163.3	-153.9	0	0	116
1255	N	39.7	Very low	40.2	Very low	142 Å²	142	126.7 Å²	126.7	76%	0.759	71%	0.708	S	S	*	*				77.3	102.7	59.4	-76.9	13.3	0	0	0	114
1256	D	41.8	Very low	41.1	Very low	133 Å²	133	130.4 Å²	130.4	71%	0.711	71%	0.706	S	S	*	*				161.7	145.9	100.3	-98.4	-0.4	0	0	0	115.5
1257	N	39	Very low	41.8	Very low	122 Å²	122	128.9 Å²	128.9	65%	0.652	70%	0.695	S	S	*	*			trans	53	90.9	147.3	-61.1	-46.8	0	0	0	122.4
1258	I	36.5	Very low	42.9	Very low	159 Å²	159	130.2 Å²	130.2	82%	0.815	69%	0.69	S	S	*	*				34.5	114.8	109	-52	164	0	0	0	117.9
1259	S	37.2	Very low	43.7	Very low	104 Å²	104	128 Å²	128	73%	0.727	69%	0.686	S	S	*	*				172.9	150.7	119.2	-175	0	0	0	0	111.5
1260	S	39.8	Very low	44.1	Very low	103 Å²	103	125.2 Å²	125.2	72%	0.72	67%	0.673	S	S	*	*			trans	59.9	152.1	-179.4	30.5	0	0	0	0	115.4
1261	D	47.5	Very low	44.4	Very low	108 Å²	108	126.9 Å²	126.9	58%	0.578	67%	0.674	S	S	*	*			cis	-133.9	143.4	3.1	-110.2	-55.3	0	0	0	111.9	D1264	D1261-D1264 HydrophobicContact CB-CB 4.11Å
1262	I	47.5	Very low	44.7	Very low	157 Å²	157	126.7 Å²	126.7	81%	0.805	66%	0.662	S	S	*	*	S	Bend	trans	-79.2	-29.4	172.7	-79.2	168.1	0	0	0	111.2	D1264 L1265	I1262-D1264 VanDerWaalsContact C-N 3.31Å; I1262-D1264 PolarHBondContact O-N 3.01Å; I1262-L1265 PolarHBondContact O-N 2.73Å
1263	T	48.7	Very low	44.7	Very low	89 Å²	89	124.6 Å²	124.6	55%	0.546	65%	0.65	S	S	.	*	H	α-helix	trans	-61.4	-38.6	178.5	-35.6	0	0	0	0	112.2	L1265 Y1266 H1267	T1263-L1265 VanDerWaalsContact C-N 3.26Å; T1263-L1265 PolarHBondContact O-N 3.49Å; T1263-Y1266 WeakPolarHBondContact O-CB 3.23Å; T1263-Y1266 PolarHBondContact O-N 2.82Å; T1263-Y1266 VanDerWaalsContact O-N 3.1Å; T1263-H1267 PolarHBondContact O-N 3Å
1264	D	51.4	Low	45.1	Very low	83 Å²	83	122.5 Å²	122.5	44%	0.444	64%	0.639	S	S	.	*	H	α-helix	trans	-70.6	-24.2	-175.8	-157.1	53.9	0	0	0	112.4	D1261 I1262 K1268	D1261-D1264 HydrophobicContact CB-CB 4.11Å; I1262-D1264 VanDerWaalsContact C-N 3.31Å; I1262-D1264 PolarHBondContact O-N 3.01Å; D1264-K1268 WeakPolarHBondContact O-CB 3.08Å; D1264-K1268 WeakPolarHBondContact O-CG 3.41Å; D1264-K1268 PolarHBondContact O-N 2.79Å; D1264-K1268 VanDerWaalsContact O-N 3.11Å; D1264-K1268 IonicContact OD2-NZ 2.63Å; D1264-K1268 PolarHBondContact OD2-NZ 2.65Å
1265	L	47.9	Very low	45	Very low	124 Å²	124	121.4 Å²	121.4	65%	0.649	64%	0.639	S	S	*	*	H	α-helix	trans	-71.2	-34.1	171.9	-146.8	80	0	0	0	111.8	I1262 T1263 K1268 V1269	I1262-L1265 PolarHBondContact O-N 2.73Å; T1263-L1265 VanDerWaalsContact C-N 3.26Å; T1263-L1265 PolarHBondContact O-N 3.49Å; L1265-K1268 PolarHBondContact O-N 2.86Å; L1265-V1269 VanDerWaalsContact O-CG2 3.31Å; L1265-V1269 WeakPolarHBondContact O-CG2 3.41Å; L1265-V1269 PolarHBondContact O-N 3.08Å
1266	Y	46.3	Very low	45.1	Very low	188 Å²	188	121.3 Å²	121.3	74%	0.737	63%	0.632	S	S	*	*	H	α-helix	trans	-69.1	-47.9	179.8	-145.3	-90.7	0	0	0	110.8	T1263 K1268 V1269 Q1270	T1263-Y1266 WeakPolarHBondContact O-CB 3.23Å; T1263-Y1266 PolarHBondContact O-N 2.82Å; T1263-Y1266 VanDerWaalsContact O-N 3.1Å; Y1266-K1268 VanDerWaalsContact C-N 3.35Å; Y1266-K1268 PolarHBondContact O-N 2.87Å; Y1266-V1269 PolarHBondContact O-N 3Å; Y1266-Q1270 PolarHBondContact O-N 3.43Å
1267	H	52.3	Low	44.8	Very low	133 Å²	133	124.7 Å²	124.7	62%	0.616	64%	0.643	S	S	*	*	H	α-helix	trans	-66.5	-31.3	174.9	-81.4	-71.1	0	0	0	113.6	T1263 K1271	T1263-H1267 PolarHBondContact O-N 3Å; H1267-K1271 PolarHBondContact O-N 2.96Å
1268	K	57.2	Low	44.5	Very low	117 Å²	117	124.4 Å²	124.4	51%	0.509	64%	0.64	S	S	.	*	H	α-helix	trans	-70.8	-37.6	172.3	-82.3	168.7	175.3	146.8	0	113.1	D1264 L1265 Y1266 Q1270 I1272	D1264-K1268 WeakPolarHBondContact O-CB 3.08Å; D1264-K1268 WeakPolarHBondContact O-CG 3.41Å; D1264-K1268 PolarHBondContact O-N 2.79Å; D1264-K1268 VanDerWaalsContact O-N 3.11Å; D1264-K1268 IonicContact OD2-NZ 2.63Å; D1264-K1268 PolarHBondContact OD2-NZ 2.65Å; L1265-K1268 PolarHBondContact O-N 2.86Å; Y1266-K1268 VanDerWaalsContact C-N 3.35Å; Y1266-K1268 PolarHBondContact O-N 2.87Å; K1268-Q1270 VanDerWaalsContact C-N 3.35Å; K1268-I1272 WeakPolarHBondContact O-CB 3.38Å; K1268-I1272 WeakPolarHBondContact O-CD1 3.18Å; K1268-I1272 VanDerWaalsContact O-CG1 3.22Å; K1268-I1272 WeakPolarHBondContact O-CG1 3.42Å; K1268-I1272 PolarHBondContact O-N 2.99Å
1269	V	49.4	Very low	44.3	Very low	97 Å²	97	120.1 Å²	120.1	59%	0.588	62%	0.624	S	S	*	*	H	α-helix	trans	-64.7	-41.7	172.8	168.2	0	0	0	0	110.6	L1265 Y1266 I1272 S1273	L1265-V1269 VanDerWaalsContact O-CG2 3.31Å; L1265-V1269 WeakPolarHBondContact O-CG2 3.41Å; L1265-V1269 PolarHBondContact O-N 3.08Å; Y1266-V1269 PolarHBondContact O-N 3Å; V1269-I1272 PolarHBondContact O-N 3.24Å; V1269-I1272 VanDerWaalsContact O-N 3.13Å; V1269-S1273 PolarHBondContact O-N 2.82Å
1270	Q	45.3	Very low	44.2	Very low	89 Å²	89	122.8 Å²	122.8	42%	0.416	63%	0.63	S	S	.	*	H	α-helix	trans	-61.5	-50.1	175.6	-161.1	58.8	51.6	0	0	111.8	Y1266 K1268 I1272 S1273 D1274	Y1266-Q1270 PolarHBondContact O-N 3.43Å; K1268-Q1270 VanDerWaalsContact C-N 3.35Å; Q1270-I1272 PolarHBondContact O-N 2.98Å; Q1270-S1273 WeakPolarHBondContact O-CA 3.27Å; Q1270-S1273 VanDerWaalsContact O-CB 3.28Å; Q1270-S1273 WeakPolarHBondContact O-CB 3.28Å; Q1270-S1273 PolarHBondContact O-N 3.36Å; Q1270-D1274 WeakPolarHBondContact CG-OD2 3.26Å; Q1270-D1274 PolarHBondContact NE2-OD1 3.06Å; Q1270-D1274 PolarHBondContact NE2-OD2 2.83Å; Q1270-D1274 VanDerWaalsContact NE2-OD2 3.12Å; Q1270-D1274 PolarHBondContact O-N 3.07Å; Q1270-D1274 VanDerWaalsContact O-N 3.08Å; Q1270-D1274 VanDerWaalsContact O-OD2 3.12Å
1271	K	45	Very low	43.9	Very low	171 Å²	171	123.3 Å²	123.3	74%	0.743	63%	0.625	S	S	*	*	H	α-helix	trans	-65.1	-6.2	174.5	-83.7	-169.2	170.5	-175.9	0	115.6	H1267	H1267-K1271 PolarHBondContact O-N 2.96Å
1272	I	46.6	Very low	43.1	Very low	110 Å²	110	126.1 Å²	126.1	56%	0.564	63%	0.628	S	S	*	*	H	α-helix	trans	-101.2	-22.1	171.9	-69.3	167.5	0	0	0	112	K1268 V1269 Q1270	K1268-I1272 WeakPolarHBondContact O-CB 3.38Å; K1268-I1272 WeakPolarHBondContact O-CD1 3.18Å; K1268-I1272 VanDerWaalsContact O-CG1 3.22Å; K1268-I1272 WeakPolarHBondContact O-CG1 3.42Å; K1268-I1272 PolarHBondContact O-N 2.99Å; V1269-I1272 PolarHBondContact O-N 3.24Å; V1269-I1272 VanDerWaalsContact O-N 3.13Å; Q1270-I1272 PolarHBondContact O-N 2.98Å
1273	S	41.8	Very low	42.6	Very low	73 Å²	73	126.5 Å²	126.5	51%	0.51	62%	0.62	S	S	.	*	H	α-helix	trans	-63.9	-55.5	164	160.5	0	0	0	0	109.8	V1269 Q1270 N1275	V1269-S1273 PolarHBondContact O-N 2.82Å; Q1270-S1273 WeakPolarHBondContact O-CA 3.27Å; Q1270-S1273 VanDerWaalsContact O-CB 3.28Å; Q1270-S1273 WeakPolarHBondContact O-CB 3.28Å; Q1270-S1273 PolarHBondContact O-N 3.36Å; S1273-N1275 VanDerWaalsContact C-N 3.26Å; S1273-N1275 PolarHBondContact O-N 2.82Å
1274	D	45.3	Very low	41.9	Very low	106 Å²	106	129.7 Å²	129.7	57%	0.567	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-5.7	-158.7	-48	-23.9	0	0	0	112.9	Q1270	Q1270-D1274 WeakPolarHBondContact CG-OD2 3.26Å; Q1270-D1274 PolarHBondContact NE2-OD1 3.06Å; Q1270-D1274 PolarHBondContact NE2-OD2 2.83Å; Q1270-D1274 VanDerWaalsContact NE2-OD2 3.12Å; Q1270-D1274 PolarHBondContact O-N 3.07Å; Q1270-D1274 VanDerWaalsContact O-N 3.08Å; Q1270-D1274 VanDerWaalsContact O-OD2 3.12Å
1275	N	39.6	Very low	41.3	Very low	142 Å²	142	131.4 Å²	131.4	76%	0.759	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	32.2	-177.7	-140.9	-24.8	0	0	0	112.8	S1273	S1273-N1275 VanDerWaalsContact C-N 3.26Å; S1273-N1275 PolarHBondContact O-N 2.82Å
1276	K	41	Very low	40.9	Very low	139 Å²	139	131.3 Å²	131.3	60%	0.604	63%	0.626	S	S	*	*			trans	-120.1	82.2	176.7	-90	177	171.5	175.1	0	111.5	I1278	K1276-I1278 HydrophobicContact CB-CD1 4.32Å; K1276-I1278 HydrophobicContact CB-CG1 4.16Å; K1276-I1278 HydrophobicContact CD-CD1 3.91Å; K1276-I1278 HydrophobicContact CG-CD1 4.2Å; K1276-I1278 HydrophobicContact CG-CG1 4.31Å; K1276-I1278 PolarHBondContact O-N 2.85Å
1277	Q	35.7	Very low	40.6	Very low	204 Å²	204	125.2 Å²	125.2	95%	0.953	61%	0.611	S	S	*	*			trans	-67.8	61	156.2	-69.8	-169.3	-1.1	0	0	111.1	S1279	Q1277-S1279 PolarHBondContact O-N 3.01Å; Q1277-S1279 VanDerWaalsContact O-N 3.09Å
1278	I	32.9	Very low	40.1	Very low	116 Å²	116	125.5 Å²	125.5	60%	0.595	61%	0.61	S	S	*	*			trans	-74.7	99	165.7	-64.6	176.1	0	0	0	106.3	K1276 L1280	K1276-I1278 HydrophobicContact CB-CD1 4.32Å; K1276-I1278 HydrophobicContact CB-CG1 4.16Å; K1276-I1278 HydrophobicContact CD-CD1 3.91Å; K1276-I1278 HydrophobicContact CG-CD1 4.2Å; K1276-I1278 HydrophobicContact CG-CG1 4.31Å; K1276-I1278 PolarHBondContact O-N 2.85Å; I1278-L1280 PolarHBondContact O-N 2.88Å
1279	S	31.9	Very low	39.5	Very low	69 Å²	69	123.7 Å²	123.7	48%	0.483	61%	0.606	S	S	.	*			trans	-48.8	121.7	-176.8	-170.2	0	0	0	0	112	Q1277 N1281 Y1282	Q1277-S1279 PolarHBondContact O-N 3.01Å; Q1277-S1279 VanDerWaalsContact O-N 3.09Å; S1279-N1281 PolarHBondContact O-N 3.31Å; S1279-N1281 PolarHBondContact OG-ND2 3.48Å; S1279-Y1282 PolarHBondContact O-N 2.96Å; S1279-Y1282 VanDerWaalsContact O-N 3.07Å
1280	L	34.7	Very low	39.1	Very low	160 Å²	160	122 Å²	122	84%	0.838	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	-18.1	-179.3	-79.4	164.2	0	0	0	113.7	I1278 Y1282 R1283	I1278-L1280 PolarHBondContact O-N 2.88Å; L1280-Y1282 PolarHBondContact O-N 3.05Å; L1280-R1283 PolarHBondContact O-N 2.97Å
1281	N	33.3	Very low	39	Very low	115 Å²	115	121.4 Å²	121.4	62%	0.615	59%	0.588	S	S	*	*	H	α-helix	trans	-46.4	-27.2	167.9	-75.7	-50.7	0	0	0	114.3	S1279 R1283 F1284 K1285	S1279-N1281 PolarHBondContact O-N 3.31Å; S1279-N1281 PolarHBondContact OG-ND2 3.48Å; N1281-R1283 PolarHBondContact O-N 2.89Å; N1281-F1284 PolarHBondContact O-N 3.16Å; N1281-K1285 WeakPolarHBondContact O-CB 3.35Å; N1281-K1285 PolarHBondContact O-N 3.44Å
1282	Y	32.2	Very low	38.9	Very low	167 Å²	167	115.2 Å²	115.2	66%	0.655	56%	0.563	S	S	*	*	H	α-helix	trans	-65.7	-31.4	-177.2	-128	-81.2	0	0	0	114.5	S1279 L1280 Q1286	S1279-Y1282 PolarHBondContact O-N 2.96Å; S1279-Y1282 VanDerWaalsContact O-N 3.07Å; L1280-Y1282 PolarHBondContact O-N 3.05Å; Y1282-Q1286 PolarHBondContact O-N 3.02Å
1283	R	37.2	Very low	38.6	Very low	164 Å²	164	112.3 Å²	112.3	62%	0.619	56%	0.555	S	S	*	*	H	α-helix	trans	-80.2	-32.9	175.3	-105.4	-177.2	178.6	171.4	1.6	112.6	E241 L1280 N1281 K1285	E241-R1283 PolarHBondContact O-NH2 2.93Å; L1280-R1283 PolarHBondContact O-N 2.97Å; N1281-R1283 PolarHBondContact O-N 2.89Å; R1283-K1285 VanDerWaalsContact C-N 3.35Å
1284	F	33.1	Very low	38.4	Very low	156 Å²	156	112.6 Å²	112.6	68%	0.684	55%	0.546	S	S	*	.	H	α-helix	trans	-72.2	-28.8	170.8	-95.3	-81.4	0	0	0	112.8	N1281 S1287 K1288	N1281-F1284 PolarHBondContact O-N 3.16Å; F1284-S1287 PolarHBondContact O-OG 2.59Å; F1284-K1288 WeakPolarHBondContact O-CB 3.43Å; F1284-K1288 PolarHBondContact O-N 3.46Å; F1284-K1288 VanDerWaalsContact O-N 3.09Å
1285	K	38.9	Very low	38.3	Very low	119 Å²	119	110 Å²	110	52%	0.517	53%	0.528	S	S	.	.	H	α-helix	trans	-60.5	-51.8	172.3	-123.8	-173.3	177.5	175.3	0	110.7	N1281 R1283 S1287 K1288 D1289	N1281-K1285 WeakPolarHBondContact O-CB 3.35Å; N1281-K1285 PolarHBondContact O-N 3.44Å; R1283-K1285 VanDerWaalsContact C-N 3.35Å; K1285-S1287 VanDerWaalsContact C-N 3.33Å; K1285-S1287 PolarHBondContact O-N 3.48Å; K1285-K1288 CarbonylContact O-C 3.57Å; K1285-K1288 PolarHBondContact O-N 2.92Å; K1285-D1289 WeakPolarHBondContact CG-OD2 3.32Å; K1285-D1289 WeakPolarHBondContact O-CA 3.44Å; K1285-D1289 WeakPolarHBondContact O-CB 3.22Å; K1285-D1289 PolarHBondContact O-N 3.37Å
1286	Q	40.1	Very low	38.2	Very low	123 Å²	123	106 Å²	106	58%	0.575	51%	0.506	S	S	*	.	H	α-helix	trans	-58	-38.9	-177.3	-75.9	-176	-31.7	0	0	114.1	Y1282 L1290	Y1282-Q1286 PolarHBondContact O-N 3.02Å; Q1286-L1290 WeakPolarHBondContact O-CB 3.33Å; Q1286-L1290 PolarHBondContact O-N 3.21Å
1287	S	39.2	Very low	38	Very low	59 Å²	59	101.9 Å²	101.9	41%	0.413	50%	0.495	S	S	.	.	H	α-helix	trans	-72.9	-35.2	174.6	52.9	0	0	0	0	113.2	F1284 K1285 Y1291	F1284-S1287 PolarHBondContact O-OG 2.59Å; K1285-S1287 VanDerWaalsContact C-N 3.33Å; K1285-S1287 PolarHBondContact O-N 3.48Å; S1287-Y1291 VanDerWaalsContact O-CB 3.25Å; S1287-Y1291 WeakPolarHBondContact O-CB 3.28Å; S1287-Y1291 PolarHBondContact O-N 3.07Å
1288	K	42.1	Very low	38.1	Very low	140 Å²	140	93.8 Å²	93.8	61%	0.609	46%	0.46	S	S	*	.	H	α-helix	trans	-73.6	-29.9	174.4	-171	167.6	-176.9	171.2	0	112.2	F1284 K1285 N1292	F1284-K1288 WeakPolarHBondContact O-CB 3.43Å; F1284-K1288 PolarHBondContact O-N 3.46Å; F1284-K1288 VanDerWaalsContact O-N 3.09Å; K1285-K1288 CarbonylContact O-C 3.57Å; K1285-K1288 PolarHBondContact O-N 2.92Å; K1288-N1292 WeakPolarHBondContact O-CB 3.37Å; K1288-N1292 PolarHBondContact O-N 3.18Å; K1288-N1292 PolarHBondContact O-ND2 2.95Å; K1288-N1292 VanDerWaalsContact O-ND2 3.17Å
1289	D	43.9	Very low	37.9	Very low	79 Å²	79	97.1 Å²	97.1	42%	0.422	47%	0.47	S	S	.	.	H	α-helix	trans	-81.7	-28.1	177.4	-67.7	-26.5	0	0	0	111.1	K1285 A1293	K1285-D1289 WeakPolarHBondContact CG-OD2 3.32Å; K1285-D1289 WeakPolarHBondContact O-CA 3.44Å; K1285-D1289 WeakPolarHBondContact O-CB 3.22Å; K1285-D1289 PolarHBondContact O-N 3.37Å; D1289-A1293 WeakPolarHBondContact O-CB 3.22Å; D1289-A1293 PolarHBondContact O-N 3.24Å
1290	L	41.6	Very low	38	Very low	62 Å²	62	99.9 Å²	99.9	33%	0.325	48%	0.484	S	S	.	.	H	α-helix	trans	-71.6	-51.8	165.3	-100.1	157.1	0	0	0	111.1	Q1286 N1292 A1293 Y1294	Q1286-L1290 WeakPolarHBondContact O-CB 3.33Å; Q1286-L1290 PolarHBondContact O-N 3.21Å; L1290-N1292 PolarHBondContact O-N 3.04Å; L1290-A1293 PolarHBondContact O-N 2.83Å; L1290-Y1294 WeakPolarHBondContact O-CB 3.46Å; L1290-Y1294 PolarHBondContact O-N 2.72Å
1291	Y	42.2	Very low	37.7	Very low	76 Å²	76	96 Å²	96	30%	0.298	48%	0.475	S	S	.	.	H	α-helix	trans	-52.5	-43.8	172.5	-177.6	-96.4	0	0	0	111.2	P386 S1287 W1295	P386-Y1291 HydrophobicContact CG-CD2 4Å; P386-Y1291 HydrophobicContact CG-CE2 4.24Å; S1287-Y1291 VanDerWaalsContact O-CB 3.25Å; S1287-Y1291 WeakPolarHBondContact O-CB 3.28Å; S1287-Y1291 PolarHBondContact O-N 3.07Å; Y1291-W1295 AromaticContact CD2-CD1 3.87Å; Y1291-W1295 WeakPolarHBondContact O-CB 3.39Å; Y1291-W1295 VanDerWaalsContact O-CD1 3.3Å; Y1291-W1295 PolarHBondContact O-N 3.21Å
1292	N	44.1	Very low	37.6	Very low	40 Å²	40	96.5 Å²	96.5	21%	0.214	48%	0.484	C	S	.	.	H	α-helix	trans	-70.7	-41.4	173.9	-73.9	-21.4	0	0	0	112.9	K1288 L1290 Y1294 W1295 N1296 C1297	K1288-N1292 WeakPolarHBondContact O-CB 3.37Å; K1288-N1292 PolarHBondContact O-N 3.18Å; K1288-N1292 PolarHBondContact O-ND2 2.95Å; K1288-N1292 VanDerWaalsContact O-ND2 3.17Å; L1290-N1292 PolarHBondContact O-N 3.04Å; N1292-Y1294 PolarHBondContact O-N 2.72Å; N1292-W1295 PolarHBondContact O-N 2.71Å; N1292-N1296 HydrophobicContact CB-CB 4.25Å; N1292-N1296 CarbonylContact O-C 3.49Å; N1292-N1296 WeakPolarHBondContact O-CA 3.43Å; N1292-N1296 PolarHBondContact O-N 2.79Å; N1292-N1296 PolarHBondContact OD1-ND2 2.89Å; N1292-C1297 HydrophobicContact CB-CB 4.4Å; N1292-C1297 PolarHBondContact O-N 2.81Å
1293	A	39.8	Very low	37.6	Very low	49 Å²	49	96.3 Å²	96.3	41%	0.405	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-32.9	177.2	0	0	0	0	0	112.4	D1289 L1290	D1289-A1293 WeakPolarHBondContact O-CB 3.22Å; D1289-A1293 PolarHBondContact O-N 3.24Å; L1290-A1293 PolarHBondContact O-N 2.83Å
1294	Y	37.3	Very low	37.4	Very low	79 Å²	79	96.3 Å²	96.3	31%	0.31	50%	0.503	S	S	.	.	H	α-helix	trans	-82.9	-29.4	-179.6	-143.6	-82.7	0	0	0	113.3	L1290 N1292	L1290-Y1294 WeakPolarHBondContact O-CB 3.46Å; L1290-Y1294 PolarHBondContact O-N 2.72Å; N1292-Y1294 PolarHBondContact O-N 2.72Å
1295	W	43.5	Very low	37.4	Very low	53 Å²	53	92 Å²	92	20%	0.201	50%	0.503	C	S	.	.	H	α-helix	trans	-127.3	-13	-172.6	-58.4	104.2	0	0	0	116.8	V717 Y1291 N1292	V717-W1295 HydrophobicContact CG1-CE3 4.22Å; V717-W1295 HydrophobicContact CG1-CH2 4.16Å; V717-W1295 HydrophobicContact CG1-CZ3 3.69Å; V717-W1295 HydrophobicContact CG2-CE3 4.34Å; Y1291-W1295 AromaticContact CD2-CD1 3.87Å; Y1291-W1295 WeakPolarHBondContact O-CB 3.39Å; Y1291-W1295 VanDerWaalsContact O-CD1 3.3Å; Y1291-W1295 PolarHBondContact O-N 3.21Å; N1292-W1295 PolarHBondContact O-N 2.71Å
1296	N	38	Very low	37.2	Very low	56 Å²	56	98.1 Å²	98.1	30%	0.299	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.3	-38.6	-169.4	-65.8	-58.6	0	0	0	118.3	Y703 N1292	Y703-N1296 PolarHBondContact OH-OD1 2.82Å; N1292-N1296 HydrophobicContact CB-CB 4.25Å; N1292-N1296 CarbonylContact O-C 3.49Å; N1292-N1296 WeakPolarHBondContact O-CA 3.43Å; N1292-N1296 PolarHBondContact O-N 2.79Å; N1292-N1296 PolarHBondContact OD1-ND2 2.89Å
1297	C	36.9	Very low	36.9	Very low	54 Å²	54	101.5 Å²	101.5	37%	0.365	54%	0.536	S	S	.	.			trans	-165.1	99.2	-160.2	-81.1	0	0	0	0	115.2	L712 N1292	L712-C1297 HydrophobicContact CD2-CB 4.38Å; L712-C1297 WeakPolarHBondContact CD2-SG 3.47Å; N1292-C1297 HydrophobicContact CB-CB 4.4Å; N1292-C1297 PolarHBondContact O-N 2.81Å
1298	P	37.6	Very low	36.7	Very low	33 Å²	33	103.4 Å²	103.4	21%	0.214	55%	0.549	C	S	.	.			trans	-105.8	143.7	157.3	34.6	-26.7	0	0	0	111.9	S713	S713-P1298 WeakPolarHBondContact O-CD 3.04Å; S713-P1298 WeakPolarHBondContact O-CG 3.47Å; S713-P1298 PolarHBondContact OG-O 2.81Å
1299	K	28.8	Very low	36.5	Very low	186 Å²	186	104.2 Å²	104.2	81%	0.809	56%	0.56	S	S	*	*			trans	-115	111.2	-175.3	-68.5	178.6	-179.8	174.4	0	112.5
1300	V	33	Very low	36.4	Very low	128 Å²	128	105.7 Å²	105.7	78%	0.776	57%	0.572	S	S	*	*			trans	-138.3	142	168.2	-169.4	0	0	0	0	109.9
1301	A	28.8	Very low	36.1	Very low	78 Å²	78	111.4 Å²	111.4	65%	0.645	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-90	145.1	178.1	0	0	0	0	0	111.8	I1303	A1301-I1303 PolarHBondContact O-N 2.75Å
1302	P	30.5	Very low	35.9	Very low	125 Å²	125	110.3 Å²	110.3	81%	0.812	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-70.4	124.6	-178	28.1	-34.6	0	0	0	112
1303	I	33	Very low	35.3	Very low	163 Å²	163	118.8 Å²	118.8	84%	0.836	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-99.3	129.5	170.8	-62.6	179.8	0	0	0	109	A1301 G1305	A1301-I1303 PolarHBondContact O-N 2.75Å; I1303-G1305 PolarHBondContact O-N 2.98Å
1304	I	34.1	Very low	35	Very low	164 Å²	164	127.4 Å²	127.4	84%	0.841	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-70.6	116.8	-176.5	-61.5	172.3	0	0	0	109.9
1305	G	33	Very low	35	Very low	65 Å²	65	130 Å²	130	67%	0.67	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-60.8	145.8	180	0	0	0	0	0	113.9	I1303	I1303-G1305 PolarHBondContact O-N 2.98Å
1306	R	33.7	Very low	34.5	Very low	248 Å²	248	138.7 Å²	138.7	94%	0.936	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-69.9	134.2	172	-72.1	178.8	173.1	171.6	-2	109.9	S1308	R1306-S1308 PolarHBondContact O-N 2.87Å
1307	K	33.1	Very low	34.1	Very low	195 Å²	195	138.8 Å²	138.8	85%	0.848	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-69.2	122.9	171	-64.4	-174.5	176.5	-170.9	0	110.6
1308	S	36.2	Very low	34	Very low	98 Å²	98	145.8 Å²	145.8	69%	0.685	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-94.5	132.8	157.1	47.3	0	0	0	0	109.1	R1306 T1310	R1306-S1308 PolarHBondContact O-N 2.87Å; S1308-T1310 PolarHBondContact O-N 3.28Å
1309	N	37	Very low	33.7	Very low	157 Å²	157	147.9 Å²	147.9	84%	0.84	80%	0.8	S	S	*	*	S	Bend	trans	-83.8	52.8	-170.7	-66.8	-15.9	0	0	0	113.2
1310	T	42.4	Very low	33.9	Very low	111 Å²	111	143.2 Å²	143.2	68%	0.681	79%	0.791	S	S	*	*			trans	-143.6	106.3	177.1	49.8	0	0	0	0	109.9	S1308 G1312	S1308-T1310 PolarHBondContact O-N 3.28Å; T1310-G1312 PolarHBondContact O-N 3.19Å
1311	D	34.5	Very low	34.2	Very low	181 Å²	181	144.9 Å²	144.9	97%	0.968	79%	0.794	S	S	*	*			trans	-68.4	112.9	176.9	-61.8	-60.4	0	0	0	110.5
1312	G	38.1	Very low	34.5	Very low	54 Å²	54	147.8 Å²	147.8	56%	0.557	80%	0.798	S	S	*	*			trans	178	100.9	-179.7	0	0	0	0	0	112.8	T1310	T1310-G1312 PolarHBondContact O-N 3.19Å
1313	F	32	Very low	35	Very low	218 Å²	218	149.9 Å²	149.9	96%	0.956	80%	0.797	S	S	*	*			trans	-72.3	131.6	170	-65.3	-89.1	0	0	0	109.9
1314	W	33.3	Very low	35	Very low	229 Å²	229	149.5 Å²	149.5	87%	0.867	80%	0.797	S	S	*	*			trans	-113.4	108	171.4	-77.8	83.8	0	0	0	110.1
1315	T	37.2	Very low	35.4	Very low	135 Å²	135	147.8 Å²	147.8	83%	0.828	79%	0.788	S	S	*	*			trans	-96.1	119.5	164	49.5	0	0	0	0	108.5
1316	Y	34.1	Very low	35.5	Very low	235 Å²	235	152 Å²	152	92%	0.922	80%	0.795	S	S	*	*			trans	-86.4	115.6	-177.4	-133.4	-86.4	0	0	0	110.9
1317	G	29.5	Very low	35.7	Very low	58 Å²	58	146.3 Å²	146.3	60%	0.598	79%	0.788	S	S	*	*			trans	142.2	82.4	175.4	0	0	0	0	0	114.3
1318	H	33.7	Very low	35.8	Very low	200 Å²	200	142.9 Å²	142.9	93%	0.926	78%	0.784	S	S	*	*			trans	-167.6	135.4	149.7	-98.1	-54.8	0	0	0	111.2
1319	G	32.7	Very low	35.8	Very low	77 Å²	77	143.1 Å²	143.1	79%	0.794	78%	0.781	S	S	*	*			trans	171.3	124.5	173	0	0	0	0	0	108.5
1320	S	33.1	Very low	35.8	Very low	89 Å²	89	142.7 Å²	142.7	62%	0.622	78%	0.779	S	S	*	*			cis	-137.1	147.4	9.9	54.9	0	0	0	0	112.4
1321	I	39.2	Very low	35.6	Very low	163 Å²	163	141.7 Å²	141.7	84%	0.836	78%	0.776	S	S	*	*			trans	-121.8	129.5	158.8	-63.9	179.6	0	0	0	107.8
1322	N	33.8	Very low	35.7	Very low	138 Å²	138	139.5 Å²	139.5	74%	0.738	77%	0.765	S	S	*	*			trans	-81.9	124	175.4	-79.2	-36.6	0	0	0	110.4
1323	E	41.3	Very low	35.8	Very low	169 Å²	169	143.2 Å²	143.2	79%	0.79	77%	0.772	S	S	*	*			trans	-130.9	119.7	156.8	-72.4	-154.7	152.6	0	0	111.8	I1325	E1323-I1325 HydrophobicContact CB-CD1 4.31Å
1324	N	34.1	Very low	36.2	Very low	155 Å²	155	138 Å²	138	83%	0.829	76%	0.758	S	S	*	*			trans	-85.2	109	172.4	-82	-64.5	0	0	0	110.1
1325	I	41.8	Very low	36.5	Very low	129 Å²	129	134 Å²	134	66%	0.662	75%	0.754	S	S	*	*			trans	-126.5	116.8	156.2	-69.8	89	0	0	0	109.6	E1323	E1323-I1325 HydrophobicContact CB-CD1 4.31Å
1326	N	35	Very low	36.6	Very low	152 Å²	152	131.8 Å²	131.8	81%	0.813	74%	0.743	S	S	*	*			trans	-85.3	127.8	167.6	-74.6	-75.3	0	0	0	110
1327	T	37.4	Very low	36.9	Very low	129 Å²	129	130.1 Å²	130.1	79%	0.791	74%	0.737	S	S	*	*			trans	-151.3	107.8	152.1	3.4	0	0	0	0	113.5
1328	T	35.5	Very low	37.4	Very low	123 Å²	123	132.1 Å²	132.1	76%	0.755	74%	0.738	S	S	*	*			trans	-53	160.8	149.6	31.8	0	0	0	0	111.4
1329	T	36.3	Very low	37.8	Very low	104 Å²	104	129.1 Å²	129.1	64%	0.638	73%	0.729	S	S	*	*			cis	-167.8	158.8	27.6	-11.2	0	0	0	0	110.3
1330	N	36.3	Very low	38.3	Very low	148 Å²	148	137.1 Å²	137.1	79%	0.791	75%	0.753	S	S	*	*			trans	59.4	147.3	143.2	-69.9	-9.1	0	0	0	120.8
1331	S	38.4	Very low	38.6	Very low	89 Å²	89	139.5 Å²	139.5	62%	0.622	76%	0.759	S	S	*	*			cis	-170.1	153.2	-4.5	46.9	0	0	0	0	112.9
1332	N	37.5	Very low	38.5	Very low	135 Å²	135	138.3 Å²	138.3	72%	0.722	76%	0.755	S	S	*	*			trans	63.8	106.7	142.4	-62.7	-3	0	0	0	121.6
1333	N	39.7	Very low	38.8	Very low	132 Å²	132	138.3 Å²	138.3	71%	0.706	76%	0.756	S	S	*	*				93.1	120.7	115	-75	-4	0	0	0	123.1
1334	T	39.5	Very low	38.7	Very low	108 Å²	108	136.5 Å²	136.5	66%	0.663	75%	0.754	S	S	*	*			trans	84.2	118.7	130.2	52.1	0	0	0	0	121.5
1335	N	39.8	Very low	38.9	Very low	147 Å²	147	135.3 Å²	135.3	79%	0.786	75%	0.75	S	S	*	*			trans	76	143.5	138.9	-60.5	0.5	0	0	0	117.5
1336	S	39.6	Very low	38.8	Very low	87 Å²	87	135.7 Å²	135.7	61%	0.608	76%	0.756	S	S	*	*			cis	-177.9	172	-12.2	44.6	0	0	0	0	109.7
1337	Y	39.8	Very low	39	Very low	201 Å²	201	134.6 Å²	134.6	79%	0.788	75%	0.752	S	S	*	*			trans	81.3	112.6	163.2	-78.1	-78.2	0	0	0	119.7
1338	T	41.1	Very low	39.1	Very low	100 Å²	100	135 Å²	135	61%	0.613	75%	0.749	S	S	*	*				42.9	146.5	120.1	62.4	0	0	0	0	121.3
1339	D	42	Very low	39.5	Very low	137 Å²	137	136 Å²	136	73%	0.733	75%	0.748	S	S	*	*			cis	-161.9	144.4	-2.7	-97.2	-20.9	0	0	0	110
1340	N	43.5	Very low	39.7	Very low	244 Å²	244	138.9 Å²	138.9	100%	1.305	76%	0.758	S	S	*	*			trans	164.3	0	142.3	-90.7	-53.3	0	0	0	110.8

Retrieved 1,340 of 1,340 residues in 231.7 ms (Link to these results)

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