A0A077ZQ14_TRITR Loading...

DNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZQ14, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 915 aa.

						>A0A077ZQ14_TRITR|A0A077ZQ14
MAKKRPTKAKKKPAKKRQKMTPNQTAFAKQQQRIRRFIKSAEKRGYSFPANAVPERPARVTKRDIARITAIKPETLYEQATFIYEGSTFTGTEGRMIERSLAAQKGALHKREKDPRYHTKAGSPPAEATDVADRLGEVIDRIADTGYKINQGTAAYNAAQQEIDSWSGSPYWNDWFTQRRYEEVERMQRMIQSSIRTYGFGGAMKAIGTQAEDFARAVDIICYDSNQERIRVAFNTLAEILKGSALTAEEGADMDVLMDATVGYSPDWYDDDFETTVYKGQDHTEVWAAACVELFTEDVLLFHSIGEMWDYLKGMRENVICYFHNLKFDGSFWLSYFLVNLGYKQAFEQFGENDFVRMKNKEMPNNSVSYSISGMGQWYDITVKVNGQIIEFRDSLKLLPFSVSAIGKSFETKHKKLDMEYTGLRYAGCPITPEEQDYIKNDVLVVKEALEIMFTEGHKKLTIGSCCLAEYKKSIGKKAYATMFPDLYQMPLDKSFDAENAGQYVNRSYRGGWCYLARGKEQKLFHNGTTADVNSLYPSMMSSESLNKYPIGEPHFWSGDFIPDEAKRATAYYFVRFKTRFYIRPGKLPFIQLKNSMSYRANEMLETSDHYNKEDGKYYPVYYDLDGNLKPATVELTMTMTDFALFKEHYELVDFRILDGCWFDSAVGIFDQYIEKYKKIKMESKGAKRQLAKLFLNNLYGKMASSPNSDFKIAFTKEDKTIGFRTIRANDKTPGYIPVGSAITSYARNFTIRAAQANYYGPDKPGFIYADTDSIHCDLAPDQLKGIKVHNKNFCCWDLESTWDEGWFVRQKTYIEHVIAEELEPVEAPYYNVKCAGMPKQCKDLFLMTVNGFTDEEAQAHTEMEQAFLYTDKEHTQHRSLTVKDFTVGLAIPGKLLPKRIPGGVLLVDSVYEMR
					

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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	41.2	Very low	46.8	Very low	249 Å²	249	184 Å²	184	100%	1.227	92%	0.918	S	S	*	*				0	129.5	0	-75.3	-179.8	175.2	0	0	110.2
2	A	48.4	Very low	47.2	Very low	100 Å²	100	185.1 Å²	185.1	83%	0.826	91%	0.913	S	S	*	*			trans	35.6	103	165.4	0	0	0	0	0	121.9
3	K	43.3	Very low	47	Very low	220 Å²	220	180.3 Å²	180.3	96%	0.957	90%	0.904	S	S	*	*	P	Polyproline II helix	trans	-73.5	122.7	149.9	-77.4	175.7	175.4	172.4	0	109.5
4	K	53.9	Low	46.6	Very low	213 Å²	213	175 Å²	175	93%	0.926	90%	0.902	S	S	*	*	P	Polyproline II helix	trans	-98.4	119.1	163.4	-92.7	-178.6	176.3	175.4	0	109.9
5	R	47.2	Very low	47	Very low	241 Å²	241	176.5 Å²	176.5	91%	0.909	90%	0.9	S	S	*	*	P	Polyproline II helix	trans	-93.6	161.9	165.1	-108.9	-171.8	163.2	-177.9	-3.6	110
6	P	44.2	Very low	47	Very low	117 Å²	117	178.6 Å²	178.6	76%	0.76	90%	0.9	S	S	*	*	P	Polyproline II helix	trans	-97.6	156.6	-140.7	37.4	-38.1	0	0	0	115.6
7	T	50.9	Low	47.1	Very low	140 Å²	140	182.5 Å²	182.5	86%	0.859	90%	0.902	S	S	*	*	P	Polyproline II helix	trans	-83.7	126	171.9	40	0	0	0	0	112.3
8	K	44.4	Very low	47.8	Very low	216 Å²	216	182.7 Å²	182.7	94%	0.939	90%	0.9	S	S	*	*	P	Polyproline II helix	trans	-62.5	124.1	168.8	-78.9	174	173.9	171.7	0	110.8
9	A	49.4	Very low	48.8	Very low	103 Å²	103	183.8 Å²	183.8	85%	0.851	90%	0.899	S	S	*	*	P	Polyproline II helix	trans	-97.1	143.1	168.2	0	0	0	0	0	111.6
10	K	47.6	Very low	50.3	Low	208 Å²	208	178.5 Å²	178.5	90%	0.904	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-53.2	138.6	-167.6	-69.1	171.9	174	176.2	0	115.2	K12	K10-K12 PolarHBondContact O-N 3.45Å
11	K	44.3	Very low	51.9	Low	217 Å²	217	173.2 Å²	173.2	94%	0.943	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-62.1	124.4	166.6	-82	178.6	173	177.2	0	110.4
12	K	51.3	Low	54	Low	197 Å²	197	166.6 Å²	166.6	86%	0.857	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-78.1	151.5	166.9	-88.5	-180	175.3	176.4	0	111	K10	K10-K12 PolarHBondContact O-N 3.45Å
13	P	45.3	Very low	55.9	Low	123 Å²	123	164.7 Å²	164.7	80%	0.799	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-65.8	139.7	-178.8	27.1	-33.1	0	0	0	111.6	K15	P13-K15 PolarHBondContact O-N 3.12Å
14	A	41.6	Very low	58	Low	106 Å²	106	156.3 Å²	156.3	88%	0.876	77%	0.767	S	S	*	*			trans	-67.5	109.4	179.7	0	0	0	0	0	111	K16	A14-K16 PolarHBondContact O-N 2.89Å
15	K	51.9	Low	59.6	Low	198 Å²	198	149.7 Å²	149.7	86%	0.861	75%	0.745	S	S	*	*			trans	-64.8	124.6	164.4	-83.1	-177.1	173.2	-177.9	0	108.8	P13 R17	P13-K15 PolarHBondContact O-N 3.12Å; K15-R17 PolarHBondContact O-N 3.15Å
16	K	46.6	Very low	61.6	Low	210 Å²	210	140 Å²	140	91%	0.913	72%	0.716	S	S	*	*			trans	-48.3	108.6	164.5	-90.5	180	174.8	175.8	0	108.1	A14 Q18	A14-K16 PolarHBondContact O-N 2.89Å; K16-Q18 PolarHBondContact O-N 3.19Å; K16-Q18 VanDerWaalsContact O-N 3.1Å
17	R	49.2	Very low	64	Low	244 Å²	244	134.7 Å²	134.7	92%	0.921	68%	0.681	S	S	*	*			trans	-64.6	108.9	170.8	-90.2	177.4	148.6	-174.2	-5.9	107.3	K15 K19	K15-R17 PolarHBondContact O-N 3.15Å; R17-K19 PolarHBondContact O-N 2.66Å; R17-K19 VanDerWaalsContact O-N 3.14Å
18	Q	59.9	Low	65.9	Low	186 Å²	186	129.4 Å²	129.4	87%	0.869	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-51.6	120.3	163.3	-105	175.2	-12.5	0	0	107.7	K16 M20	K16-Q18 PolarHBondContact O-N 3.19Å; K16-Q18 VanDerWaalsContact O-N 3.1Å; Q18-M20 PolarHBondContact O-N 2.86Å; Q18-M20 VanDerWaalsContact O-N 3.17Å
19	K	67.4	Low	68.2	Low	204 Å²	204	126.4 Å²	126.4	89%	0.887	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-59.7	120.1	172.2	-92.2	-176.1	174.5	179.4	0	107.3	R17	R17-K19 PolarHBondContact O-N 2.66Å; R17-K19 VanDerWaalsContact O-N 3.14Å
20	M	77.6	Confident	70.2	Confident	77 Å²	77	123.3 Å²	123.3	38%	0.379	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-62.4	138.1	174.1	-69.7	175.8	67.8	0	0	108.9	Q18 Q24 T25 A28	Q18-M20 PolarHBondContact O-N 2.86Å; Q18-M20 VanDerWaalsContact O-N 3.17Å; M20-Q24 HydrophobicContact CB-CB 3.94Å; M20-Q24 HydrophobicContact CE-CB 3.88Å; M20-Q24 WeakPolarHBondContact CE-O 3.49Å; M20-Q24 HydrophobicContact CG-CB 4.46Å; M20-T25 WeakPolarHBondContact CB-OG1 3.5Å; M20-A28 HydrophobicContact CE-CB 3.62Å
21	T	83.6	Confident	72.4	Confident	69 Å²	69	114.5 Å²	114.5	42%	0.423	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-61.6	159.3	171.6	66.8	0	0	0	0	110.1	N23 Q24 T25	T21-N23 PolarHBondContact O-N 3.44Å; T21-Q24 PolarHBondContact O-N 3.22Å; T21-Q24 WeakPolarHBondContact OG1-CB 3.44Å; T21-Q24 VanDerWaalsContact OG1-CG 3.3Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.5Å; T21-Q24 PolarHBondContact OG1-N 3.43Å; T21-T25 PolarHBondContact O-N 3.02Å; T21-T25 PolarHBondContact O-OG1 3.24Å
22	P	85.4	Confident	74.7	Confident	110 Å²	110	109.1 Å²	109.1	71%	0.714	55%	0.547	S	S	*	.	H	α-helix	trans	-52.3	-40.9	175.2	-28.4	35.6	0	0	0	112.5	T25 A26	P22-T25 PolarHBondContact O-N 3.23Å; P22-A26 WeakPolarHBondContact O-CB 3.39Å; P22-A26 PolarHBondContact O-N 2.71Å
23	N	87.9	Confident	76.8	Confident	59 Å²	59	104.6 Å²	104.6	32%	0.316	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-46.2	175.7	-72.5	-0.6	0	0	0	112.6	T21 T25 A26 F27 V60 I65	T21-N23 PolarHBondContact O-N 3.44Å; N23-T25 VanDerWaalsContact C-N 3.27Å; N23-T25 PolarHBondContact O-N 3.09Å; N23-A26 PolarHBondContact O-N 3.45Å; N23-F27 PolarHBondContact O-N 3.1Å; N23-V60 HydrophobicContact CB-CB 4.28Å; N23-V60 HydrophobicContact CB-CG1 4.07Å; N23-V60 PolarHBondContact ND2-O 3.23Å; N23-I65 HydrophobicContact CB-CD1 3.82Å
24	Q	88	Confident	79.1	Confident	45 Å²	45	98.9 Å²	98.9	21%	0.21	49%	0.487	C	S	.	.	H	α-helix	trans	-61	-38.7	176.2	-76.6	174.1	-20.3	0	0	111.5	M20 T21 A28 V60	M20-Q24 HydrophobicContact CB-CB 3.94Å; M20-Q24 HydrophobicContact CE-CB 3.88Å; M20-Q24 WeakPolarHBondContact CE-O 3.49Å; M20-Q24 HydrophobicContact CG-CB 4.46Å; T21-Q24 PolarHBondContact O-N 3.22Å; T21-Q24 WeakPolarHBondContact OG1-CB 3.44Å; T21-Q24 VanDerWaalsContact OG1-CG 3.3Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.5Å; T21-Q24 PolarHBondContact OG1-N 3.43Å; Q24-A28 WeakPolarHBondContact O-CB 3.38Å; Q24-A28 PolarHBondContact O-N 2.91Å; Q24-V60 HydrophobicContact CG-CB 4.28Å; Q24-V60 HydrophobicContact CG-CG2 3.91Å
25	T	88.2	Confident	81.5	Confident	74 Å²	74	100.9 Å²	100.9	45%	0.454	47%	0.472	S	S	.	.	H	α-helix	trans	-66.1	-43.9	177.1	-55	0	0	0	0	111.2	M20 T21 P22 N23 A28 K29	M20-T25 WeakPolarHBondContact CB-OG1 3.5Å; T21-T25 PolarHBondContact O-N 3.02Å; T21-T25 PolarHBondContact O-OG1 3.24Å; P22-T25 PolarHBondContact O-N 3.23Å; N23-T25 VanDerWaalsContact C-N 3.27Å; N23-T25 PolarHBondContact O-N 3.09Å; T25-A28 PolarHBondContact O-N 2.99Å; T25-K29 PolarHBondContact O-N 2.93Å
26	A	89.6	Confident	83.5	Confident	37 Å²	37	99.5 Å²	99.5	31%	0.306	46%	0.461	S	S	.	.	H	α-helix	trans	-62	-45.7	176.3	0	0	0	0	0	112.3	P22 N23 K29 Q30 I65	P22-A26 WeakPolarHBondContact O-CB 3.39Å; P22-A26 PolarHBondContact O-N 2.71Å; N23-A26 PolarHBondContact O-N 3.45Å; A26-K29 WeakPolarHBondContact O-CB 3.44Å; A26-K29 PolarHBondContact O-N 2.9Å; A26-Q30 PolarHBondContact O-N 3.23Å; A26-I65 HydrophobicContact CB-CD1 3.99Å; A26-I65 HydrophobicContact CB-CG1 4.39Å; A26-I65 HydrophobicContact CB-CG2 4.35Å
27	F	93.9	Very high	85.8	Confident	6 Å²	6	91.7 Å²	91.7	3%	0.026	43%	0.427	C	S	.	.	H	α-helix	trans	-62.9	-43.9	176.9	-169.6	-82.7	0	0	0	111.9	N23 K29 Q30 Q31 R56 V60 D64 I65 I68	N23-F27 PolarHBondContact O-N 3.1Å; F27-K29 VanDerWaalsContact C-N 3.3Å; F27-K29 PolarHBondContact O-N 3.39Å; F27-Q30 PolarHBondContact O-N 2.93Å; F27-Q30 VanDerWaalsContact O-N 3.16Å; F27-Q31 HydrophobicContact CD1-CG 3.87Å; F27-Q31 VanDerWaalsContact CE1-CD 3.43Å; F27-Q31 HydrophobicContact CE1-CG 3.62Å; F27-Q31 PolarHBondContact O-N 3.27Å; F27-R56 HydrophobicContact CD1-CB 4Å; F27-R56 HydrophobicContact CD1-CG 3.79Å; F27-R56 VanDerWaalsContact CE1-CA 3.46Å; F27-R56 HydrophobicContact CE1-CB 3.75Å; F27-R56 HydrophobicContact CE1-CG 3.99Å; F27-V60 HydrophobicContact CB-CG1 3.69Å; F27-V60 HydrophobicContact CB-CG2 4.33Å; F27-V60 HydrophobicContact CD2-CG1 4.02Å; F27-V60 HydrophobicContact CG-CG1 4.1Å; F27-V60 HydrophobicContact CG-CG2 4.42Å; F27-D64 HydrophobicContact CD2-CB 4.14Å; F27-D64 HydrophobicContact CE2-CB 4.02Å; F27-I65 HydrophobicContact CB-CG1 4.39Å; F27-I68 HydrophobicContact CD1-CD1 4.29Å; F27-I68 HydrophobicContact CD2-CB 4.38Å; F27-I68 HydrophobicContact CD2-CD1 4.45Å; F27-I68 HydrophobicContact CD2-CG2 3.74Å; F27-I68 HydrophobicContact CE1-CD1 3.89Å; F27-I68 HydrophobicContact CE2-CB 3.99Å; F27-I68 HydrophobicContact CE2-CD1 4.07Å; F27-I68 HydrophobicContact CE2-CG2 3.86Å; F27-I68 HydrophobicContact CG-CG2 4.42Å; F27-I68 HydrophobicContact CZ-CB 4.46Å; F27-I68 HydrophobicContact CZ-CD1 3.78Å
28	A	90.8	Very high	88	Confident	28 Å²	28	80.8 Å²	80.8	23%	0.231	39%	0.387	C	S	.	.	H	α-helix	trans	-63.4	-34.9	177.1	0	0	0	0	0	112.8	M20 Q24 T25 Q31 Q32	M20-A28 HydrophobicContact CE-CB 3.62Å; Q24-A28 WeakPolarHBondContact O-CB 3.38Å; Q24-A28 PolarHBondContact O-N 2.91Å; T25-A28 PolarHBondContact O-N 2.99Å; A28-Q31 PolarHBondContact O-N 2.87Å; A28-Q32 WeakPolarHBondContact O-CB 3.45Å; A28-Q32 PolarHBondContact O-N 2.96Å
29	K	91.8	Very high	89.6	Confident	153 Å²	153	78.5 Å²	78.5	67%	0.665	37%	0.374	S	S	*	.	H	α-helix	trans	-63.2	-41	173.9	-167.2	177.8	-179.7	-178.5	0	111.5	T25 A26 F27 Q32 R33	T25-K29 PolarHBondContact O-N 2.93Å; A26-K29 WeakPolarHBondContact O-CB 3.44Å; A26-K29 PolarHBondContact O-N 2.9Å; F27-K29 VanDerWaalsContact C-N 3.3Å; F27-K29 PolarHBondContact O-N 3.39Å; K29-Q32 PolarHBondContact O-N 2.8Å; K29-R33 PolarHBondContact O-N 3.39Å
30	Q	93.2	Very high	90.8	Very high	39 Å²	39	72 Å²	72	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-71	-40.4	175.9	-60.1	-58.2	-14.4	0	0	112.5	A26 F27 Q32 R33 I34 I68	A26-Q30 PolarHBondContact O-N 3.23Å; F27-Q30 PolarHBondContact O-N 2.93Å; F27-Q30 VanDerWaalsContact O-N 3.16Å; Q30-Q32 PolarHBondContact O-N 3.48Å; Q30-R33 WeakPolarHBondContact O-CB 3.48Å; Q30-R33 PolarHBondContact O-N 3.28Å; Q30-R33 VanDerWaalsContact O-N 3.12Å; Q30-I34 WeakPolarHBondContact O-CG1 3.33Å; Q30-I34 PolarHBondContact O-N 3.36Å; Q30-I68 HydrophobicContact CB-CB 4.39Å; Q30-I68 HydrophobicContact CB-CD1 4.06Å; Q30-I68 HydrophobicContact CB-CG1 3.94Å; Q30-I68 HydrophobicContact CB-CG2 3.66Å; Q30-I68 HydrophobicContact CG-CG2 4.03Å
31	Q	93.6	Very high	91.5	Very high	22 Å²	22	68.3 Å²	68.3	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-56.6	-41.5	170.6	-76.4	-174.5	-56.4	0	0	111.5	F27 A28 I34 R35 V53 P54 I68	F27-Q31 HydrophobicContact CD1-CG 3.87Å; F27-Q31 VanDerWaalsContact CE1-CD 3.43Å; F27-Q31 HydrophobicContact CE1-CG 3.62Å; F27-Q31 PolarHBondContact O-N 3.27Å; A28-Q31 PolarHBondContact O-N 2.87Å; Q31-I34 PolarHBondContact O-N 2.79Å; Q31-R35 WeakPolarHBondContact O-CG 3.31Å; Q31-R35 PolarHBondContact O-N 3.38Å; Q31-V53 HydrophobicContact CB-CG1 4.3Å; Q31-V53 HydrophobicContact CG-CG1 4.23Å; Q31-P54 PolarHBondContact NE2-O 3.13Å; Q31-I68 HydrophobicContact CB-CD1 4.21Å; Q31-I68 HydrophobicContact CG-CD1 3.38Å
32	Q	92.6	Very high	92	Very high	105 Å²	105	69.6 Å²	69.6	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-67.5	-35.4	177.8	-165.4	176.5	11.4	0	0	112.3	A28 K29 Q30 R36	A28-Q32 WeakPolarHBondContact O-CB 3.45Å; A28-Q32 PolarHBondContact O-N 2.96Å; K29-Q32 PolarHBondContact O-N 2.8Å; Q30-Q32 PolarHBondContact O-N 3.48Å; Q32-R36 WeakPolarHBondContact O-CG 3.2Å; Q32-R36 PolarHBondContact O-N 3.18Å
33	R	93.7	Very high	92.2	Very high	102 Å²	102	72.5 Å²	72.5	39%	0.385	34%	0.339	S	S	.	.	H	α-helix	trans	-58.7	-51.5	172	-174.7	-171	86	-171.7	11.1	111	K29 Q30 R36 F37 T69 I71	K29-R33 PolarHBondContact O-N 3.39Å; Q30-R33 WeakPolarHBondContact O-CB 3.48Å; Q30-R33 PolarHBondContact O-N 3.28Å; Q30-R33 VanDerWaalsContact O-N 3.12Å; R33-R36 PolarHBondContact O-N 2.9Å; R33-F37 PolarHBondContact O-N 2.91Å; R33-F37 VanDerWaalsContact O-N 3.08Å; R33-T69 PolarHBondContact NH2-O 3.48Å; R33-T69 VanDerWaalsContact NH2-O 3.07Å; R33-I71 PolarHBondContact NH2-O 2.73Å
34	I	93.8	Very high	92.3	Very high	2 Å²	2	74.2 Å²	74.2	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-45.2	-179.4	-62.2	171.3	0	0	0	110.6	Q30 Q31 R36 F37 I38 V53 I68 I71 L76	Q30-I34 WeakPolarHBondContact O-CG1 3.33Å; Q30-I34 PolarHBondContact O-N 3.36Å; Q31-I34 PolarHBondContact O-N 2.79Å; I34-R36 VanDerWaalsContact C-N 3.32Å; I34-R36 PolarHBondContact O-N 3.02Å; I34-F37 WeakPolarHBondContact O-CB 3.48Å; I34-F37 PolarHBondContact O-N 3.32Å; I34-F37 VanDerWaalsContact O-N 3.14Å; I34-I38 HydrophobicContact CG2-CD1 3.88Å; I34-I38 HydrophobicContact CG2-CG1 4.37Å; I34-I38 PolarHBondContact O-N 2.87Å; I34-V53 HydrophobicContact CG2-CG2 3.96Å; I34-I68 HydrophobicContact CD1-CD1 4.19Å; I34-I68 HydrophobicContact CD1-CG1 3.65Å; I34-I71 HydrophobicContact CD1-CB 4.08Å; I34-I71 HydrophobicContact CD1-CD1 3.89Å; I34-I71 HydrophobicContact CD1-CG2 4.12Å; I34-L76 HydrophobicContact CG2-CD1 3.92Å; I34-L76 HydrophobicContact CG2-CD2 4.06Å
35	R	93.6	Very high	92.4	Very high	149 Å²	149	73.5 Å²	73.5	56%	0.562	35%	0.345	S	S	*	.	H	α-helix	trans	-60.5	-37.6	176.6	-75.9	178.7	179	165.5	1.2	113.5	Q31 K39 V53	Q31-R35 WeakPolarHBondContact O-CG 3.31Å; Q31-R35 PolarHBondContact O-N 3.38Å; R35-K39 WeakPolarHBondContact O-CB 3.25Å; R35-K39 PolarHBondContact O-N 3.41Å; R35-V53 HydrophobicContact CG-CG1 4.16Å; R35-V53 HydrophobicContact CG-CG2 3.82Å
36	R	93.7	Very high	92.7	Very high	169 Å²	169	70.3 Å²	70.3	64%	0.638	33%	0.325	S	S	*	.	H	α-helix	trans	-66.5	-40.6	175.4	-75.7	178.3	-171.1	-177.6	4.6	111.5	Q32 R33 I34 S40	Q32-R36 WeakPolarHBondContact O-CG 3.2Å; Q32-R36 PolarHBondContact O-N 3.18Å; R33-R36 PolarHBondContact O-N 2.9Å; I34-R36 VanDerWaalsContact C-N 3.32Å; I34-R36 PolarHBondContact O-N 3.02Å; R36-S40 WeakPolarHBondContact O-CB 3.37Å; R36-S40 PolarHBondContact O-N 3.42Å; R36-S40 VanDerWaalsContact O-N 3.14Å
37	F	94.9	Very high	92.9	Very high	45 Å²	45	71.5 Å²	71.5	20%	0.197	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-52.1	175.8	173.2	-91.3	0	0	0	111.6	R33 I34 K39 S40 A41 F48 P73 L76 Y77	R33-F37 PolarHBondContact O-N 2.91Å; R33-F37 VanDerWaalsContact O-N 3.08Å; I34-F37 WeakPolarHBondContact O-CB 3.48Å; I34-F37 PolarHBondContact O-N 3.32Å; I34-F37 VanDerWaalsContact O-N 3.14Å; F37-K39 PolarHBondContact O-N 2.89Å; F37-S40 WeakPolarHBondContact O-CA 3.38Å; F37-S40 WeakPolarHBondContact O-CB 3.25Å; F37-S40 PolarHBondContact O-N 2.88Å; F37-A41 PolarHBondContact O-N 3.49Å; F37-F48 HydrophobicContact CE1-CE1 4.25Å; F37-F48 HydrophobicContact CE1-CZ 4.15Å; F37-P73 HydrophobicContact CD2-CB 4.28Å; F37-P73 HydrophobicContact CD2-CG 4.3Å; F37-P73 HydrophobicContact CE2-CB 3.5Å; F37-P73 HydrophobicContact CE2-CG 3.99Å; F37-P73 HydrophobicContact CZ-CB 3.63Å; F37-P73 HydrophobicContact CZ-CG 4.47Å; F37-L76 HydrophobicContact CD1-CB 4.27Å; F37-L76 HydrophobicContact CD1-CD1 3.41Å; F37-L76 VanDerWaalsContact CD1-CD1 3.41Å; F37-L76 HydrophobicContact CD1-CG 4.47Å; F37-L76 HydrophobicContact CE1-CB 3.68Å; F37-L76 HydrophobicContact CE1-CD1 3.65Å; F37-L76 HydrophobicContact CE1-CG 4.32Å; F37-L76 HydrophobicContact CG-CD1 4.26Å; F37-Y77 HydrophobicContact CE1-CE2 4.45Å; F37-Y77 HydrophobicContact CE2-CE2 4.01Å; F37-Y77 AromaticContact CZ-CD2 3.92Å; F37-Y77 HydrophobicContact CZ-CD2 3.92Å; F37-Y77 HydrophobicContact CZ-CE1 4.24Å; F37-Y77 AromaticContact CZ-CE2 3.39Å; F37-Y77 HydrophobicContact CZ-CE2 3.39Å; F37-Y77 AromaticContact CZ-CZ 3.56Å
38	I	94.3	Very high	93	Very high	15 Å²	15	72.2 Å²	72.2	8%	0.077	33%	0.334	C	S	.	.	H	α-helix	trans	-55.2	-50.6	178	-72.2	174.6	0	0	0	110.3	I34 S40 A41 E42 F48 A52 V53	I34-I38 HydrophobicContact CG2-CD1 3.88Å; I34-I38 HydrophobicContact CG2-CG1 4.37Å; I34-I38 PolarHBondContact O-N 2.87Å; I38-S40 PolarHBondContact O-N 3.24Å; I38-S40 VanDerWaalsContact O-N 3.13Å; I38-A41 CarbonylContact O-C 3.22Å; I38-A41 PolarHBondContact O-N 2.87Å; I38-E42 HydrophobicContact CG2-CG 4.09Å; I38-E42 WeakPolarHBondContact CG2-OE1 3.45Å; I38-E42 WeakPolarHBondContact O-CG 3.46Å; I38-E42 PolarHBondContact O-N 2.78Å; I38-F48 HydrophobicContact CB-CD2 4.31Å; I38-F48 HydrophobicContact CD1-CB 4.42Å; I38-F48 HydrophobicContact CD1-CG 4.39Å; I38-F48 HydrophobicContact CG1-CD1 4.16Å; I38-F48 HydrophobicContact CG1-CD2 4.18Å; I38-F48 HydrophobicContact CG1-CE1 4.4Å; I38-F48 HydrophobicContact CG1-CE2 4.44Å; I38-F48 HydrophobicContact CG1-CG 4.04Å; I38-F48 HydrophobicContact CG2-CB 4.36Å; I38-F48 HydrophobicContact CG2-CD2 3.72Å; I38-F48 HydrophobicContact CG2-CE2 4.28Å; I38-F48 HydrophobicContact CG2-CG 4.15Å; I38-A52 HydrophobicContact CD1-CB 3.88Å; I38-V53 HydrophobicContact CD1-CG2 3.65Å
39	K	93.6	Very high	93	Very high	138 Å²	138	73.4 Å²	73.4	60%	0.6	34%	0.34	S	S	*	.	H	α-helix	trans	-59.5	-29.4	178.2	-170.6	173.7	-176.5	175.8	0	113.6	R35 F37 K43	R35-K39 WeakPolarHBondContact O-CB 3.25Å; R35-K39 PolarHBondContact O-N 3.41Å; F37-K39 PolarHBondContact O-N 2.89Å; K39-K43 WeakPolarHBondContact O-CG 3.49Å
40	S	92.8	Very high	92.9	Very high	67 Å²	67	71.4 Å²	71.4	47%	0.469	35%	0.352	S	S	.	.	H	α-helix	trans	-80.2	-30	176.3	-168.3	0	0	0	0	112.9	R36 F37 I38 R44	R36-S40 WeakPolarHBondContact O-CB 3.37Å; R36-S40 PolarHBondContact O-N 3.42Å; R36-S40 VanDerWaalsContact O-N 3.14Å; F37-S40 WeakPolarHBondContact O-CA 3.38Å; F37-S40 WeakPolarHBondContact O-CB 3.25Å; F37-S40 PolarHBondContact O-N 2.88Å; I38-S40 PolarHBondContact O-N 3.24Å; I38-S40 VanDerWaalsContact O-N 3.13Å; S40-R44 PolarHBondContact O-NE 3.3Å
41	A	92.7	Very high	92.7	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-78.1	-38.5	174.1	0	0	0	0	0	111.5	F37 I38 K43 R44 G45 Y46 F48 Y77	F37-A41 PolarHBondContact O-N 3.49Å; I38-A41 CarbonylContact O-C 3.22Å; I38-A41 PolarHBondContact O-N 2.87Å; A41-K43 PolarHBondContact O-N 3.24Å; A41-R44 WeakPolarHBondContact O-CA 3.26Å; A41-R44 PolarHBondContact O-N 3.44Å; A41-G45 PolarHBondContact O-N 3.32Å; A41-Y46 HydrophobicContact CB-CD2 4.07Å; A41-Y46 HydrophobicContact CB-CG 4.21Å; A41-Y46 VanDerWaalsContact O-CD2 3.31Å; A41-Y46 WeakPolarHBondContact O-CD2 3.37Å; A41-Y46 PolarHBondContact O-N 3.17Å; A41-F48 HydrophobicContact CB-CE2 3.53Å; A41-F48 HydrophobicContact CB-CZ 3.56Å; A41-Y77 HydrophobicContact CB-CE1 4.14Å
42	E	93.1	Very high	92.6	Very high	97 Å²	97	74.5 Å²	74.5	45%	0.453	37%	0.371	S	S	.	.	H	α-helix	trans	-57.3	-37.1	174.4	-71.9	170.2	159.1	0	0	112.7	I38 R44 G45 Y46 F48	I38-E42 HydrophobicContact CG2-CG 4.09Å; I38-E42 WeakPolarHBondContact CG2-OE1 3.45Å; I38-E42 WeakPolarHBondContact O-CG 3.46Å; I38-E42 PolarHBondContact O-N 2.78Å; E42-R44 PolarHBondContact O-N 3.15Å; E42-R44 VanDerWaalsContact O-N 3.13Å; E42-G45 PolarHBondContact O-N 3Å; E42-G45 VanDerWaalsContact O-N 3.14Å; E42-Y46 VanDerWaalsContact CA-O 3.26Å; E42-Y46 WeakPolarHBondContact CA-O 3.41Å; E42-Y46 WeakPolarHBondContact CG-O 3.44Å; E42-F48 HydrophobicContact CG-CD2 4.27Å
43	K	90.9	Very high	92.5	Very high	171 Å²	171	70.7 Å²	70.7	74%	0.743	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.1	172.8	-76.1	-179.3	177.1	-167.8	0	114.7	K39 A41	K39-K43 WeakPolarHBondContact O-CG 3.49Å; A41-K43 PolarHBondContact O-N 3.24Å
44	R	89.4	Confident	92.3	Very high	95 Å²	95	67.8 Å²	67.8	36%	0.358	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	7	-179.1	-64.5	176.4	-62	124.7	5.6	112.3	S40 A41 E42 Y46 Y77 F82 E98	S40-R44 PolarHBondContact O-NE 3.3Å; A41-R44 WeakPolarHBondContact O-CA 3.26Å; A41-R44 PolarHBondContact O-N 3.44Å; E42-R44 PolarHBondContact O-N 3.15Å; E42-R44 VanDerWaalsContact O-N 3.13Å; R44-Y46 HydrophobicContact CB-CD2 4.26Å; R44-Y46 HydrophobicContact CB-CE2 4.37Å; R44-Y77 PolarHBondContact NH2-OH 2.76Å; R44-F82 WeakPolarHBondContact O-CE2 3.07Å; R44-E98 WeakPolarHBondContact CB-OE1 3.25Å; R44-E98 VanDerWaalsContact CD-OE1 3.24Å; R44-E98 WeakPolarHBondContact CD-OE1 3.4Å; R44-E98 IonicContact CZ-OE1 3.05Å; R44-E98 IonicContact CZ-OE2 2.87Å; R44-E98 IonicContact NE-OE1 3.96Å; R44-E98 IonicContact NH1-OE1 2.97Å; R44-E98 PolarHBondContact NH1-OE1 3.38Å; R44-E98 IonicContact NH1-OE2 3.64Å; R44-E98 PolarHBondContact NH1-OE2 3.07Å
45	G	90	Very high	92.1	Very high	29 Å²	29	76.2 Å²	76.2	30%	0.299	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.7	7.7	176.2	0	0	0	0	0	115.2	A41 E42 F82 I83	A41-G45 PolarHBondContact O-N 3.32Å; E42-G45 PolarHBondContact O-N 3Å; E42-G45 VanDerWaalsContact O-N 3.14Å; G45-F82 WeakPolarHBondContact O-CA 3.47Å; G45-I83 PolarHBondContact O-N 3.18Å
46	Y	95.3	Very high	91.9	Very high	7 Å²	7	74.9 Å²	74.9	3%	0.027	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	148.4	175.8	-66.3	-92	0	0	0	112.4	A41 E42 R44 Y77 A80 T81 F82 G91 G94 R95 E98	A41-Y46 HydrophobicContact CB-CD2 4.07Å; A41-Y46 HydrophobicContact CB-CG 4.21Å; A41-Y46 VanDerWaalsContact O-CD2 3.31Å; A41-Y46 WeakPolarHBondContact O-CD2 3.37Å; A41-Y46 PolarHBondContact O-N 3.17Å; E42-Y46 VanDerWaalsContact CA-O 3.26Å; E42-Y46 WeakPolarHBondContact CA-O 3.41Å; E42-Y46 WeakPolarHBondContact CG-O 3.44Å; R44-Y46 HydrophobicContact CB-CD2 4.26Å; R44-Y46 HydrophobicContact CB-CE2 4.37Å; Y46-Y77 AromaticContact CD1-CD1 3.71Å; Y46-Y77 HydrophobicContact CD1-CD1 3.71Å; Y46-Y77 AromaticContact CD1-CE1 3.86Å; Y46-Y77 HydrophobicContact CD1-CE1 3.86Å; Y46-Y77 HydrophobicContact CD2-CE1 4.12Å; Y46-Y77 AromaticContact CE1-CD1 3.46Å; Y46-Y77 HydrophobicContact CE1-CD1 3.46Å; Y46-Y77 VanDerWaalsContact CE1-CD1 3.46Å; Y46-Y77 AromaticContact CE1-CE1 3.6Å; Y46-Y77 HydrophobicContact CE1-CE1 3.6Å; Y46-Y77 AromaticContact CE2-CE1 3.87Å; Y46-Y77 HydrophobicContact CE2-CE1 3.87Å; Y46-Y77 HydrophobicContact CG-CD1 4.36Å; Y46-Y77 HydrophobicContact CG-CE1 4.1Å; Y46-Y77 AromaticContact CZ-CD1 3.92Å; Y46-Y77 AromaticContact CZ-CE1 3.58Å; Y46-A80 HydrophobicContact CD1-CB 4.22Å; Y46-T81 CarbonylContact C-O 3.48Å; Y46-T81 VanDerWaalsContact CA-O 3.23Å; Y46-T81 WeakPolarHBondContact CA-O 3.48Å; Y46-F82 HydrophobicContact CD1-CB 3.87Å; Y46-F82 AromaticContact CD1-CD2 3.89Å; Y46-F82 HydrophobicContact CD1-CD2 3.89Å; Y46-F82 HydrophobicContact CD1-CG 4.32Å; Y46-F82 AromaticContact CD2-CD2 3.74Å; Y46-F82 HydrophobicContact CD2-CD2 3.74Å; Y46-F82 HydrophobicContact CD2-CE2 4.17Å; Y46-F82 HydrophobicContact CE1-CB 3.84Å; Y46-F82 AromaticContact CE1-CD2 3.72Å; Y46-F82 HydrophobicContact CE1-CD2 3.72Å; Y46-F82 HydrophobicContact CE1-CG 4.06Å; Y46-F82 AromaticContact CE2-CD2 3.59Å; Y46-F82 HydrophobicContact CE2-CD2 3.59Å; Y46-F82 AromaticContact CE2-CE2 3.76Å; Y46-F82 HydrophobicContact CE2-CE2 3.76Å; Y46-F82 AromaticContact CG-CD2 3.91Å; Y46-F82 HydrophobicContact CG-CD2 3.91Å; Y46-F82 AromaticContact CZ-CD2 3.58Å; Y46-F82 AromaticContact CZ-CE2 3.99Å; Y46-G91 WeakPolarHBondContact CE1-O 3.39Å; Y46-G94 PolarHBondContact OH-O 2.75Å; Y46-R95 VanDerWaalsContact OH-CA 3.25Å; Y46-R95 WeakPolarHBondContact OH-CA 3.35Å; Y46-R95 WeakPolarHBondContact OH-CG 3.24Å; Y46-R95 PolarHBondContact OH-N 3.34Å; Y46-E98 PolarHBondContact OH-OE2 3.13Å
47	S	93.9	Very high	91.5	Very high	62 Å²	62	69 Å²	69	43%	0.434	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135	170.4	-175.1	0	0	0	0	109.2	A80 T81	S47-A80 CarbonylContact O-C 3.59Å; S47-A80 WeakPolarHBondContact O-CA 3.35Å; S47-A80 WeakPolarHBondContact O-CB 3.38Å; S47-T81 PolarHBondContact N-O 3.24Å; S47-T81 PolarHBondContact O-N 3.23Å
48	F	95	Very high	91	Very high	21 Å²	21	71.9 Å²	71.9	9%	0.092	40%	0.399	C	S	.	.			trans	-117	147	-176.5	-63.6	-100.1	0	0	0	110	F37 I38 A41 E42 A52 L76 Y77 A80	F37-F48 HydrophobicContact CE1-CE1 4.25Å; F37-F48 HydrophobicContact CE1-CZ 4.15Å; I38-F48 HydrophobicContact CB-CD2 4.31Å; I38-F48 HydrophobicContact CD1-CB 4.42Å; I38-F48 HydrophobicContact CD1-CG 4.39Å; I38-F48 HydrophobicContact CG1-CD1 4.16Å; I38-F48 HydrophobicContact CG1-CD2 4.18Å; I38-F48 HydrophobicContact CG1-CE1 4.4Å; I38-F48 HydrophobicContact CG1-CE2 4.44Å; I38-F48 HydrophobicContact CG1-CG 4.04Å; I38-F48 HydrophobicContact CG2-CB 4.36Å; I38-F48 HydrophobicContact CG2-CD2 3.72Å; I38-F48 HydrophobicContact CG2-CE2 4.28Å; I38-F48 HydrophobicContact CG2-CG 4.15Å; A41-F48 HydrophobicContact CB-CE2 3.53Å; A41-F48 HydrophobicContact CB-CZ 3.56Å; E42-F48 HydrophobicContact CG-CD2 4.27Å; F48-A52 HydrophobicContact CB-CB 4Å; F48-L76 HydrophobicContact CD1-CB 4.4Å; F48-L76 WeakPolarHBondContact CD1-O 3.32Å; F48-L76 HydrophobicContact CE1-CB 3.9Å; F48-L76 VanDerWaalsContact CE1-O 3.25Å; F48-L76 WeakPolarHBondContact CE1-O 3.47Å; F48-Y77 HydrophobicContact CZ-CD1 4.39Å; F48-Y77 HydrophobicContact CZ-CE1 4.5Å; F48-A80 HydrophobicContact CD1-CB 3.69Å; F48-A80 HydrophobicContact CD2-CB 4.48Å; F48-A80 HydrophobicContact CE1-CB 3.58Å; F48-A80 HydrophobicContact CE2-CB 4.38Å; F48-A80 HydrophobicContact CG-CB 4.16Å; F48-A80 HydrophobicContact CZ-CB 3.94Å
49	P	91.9	Very high	90.6	Very high	53 Å²	53	81.3 Å²	81.3	34%	0.344	43%	0.434	S	S	.	.			trans	-66	151.8	176.8	28.4	-35.6	0	0	0	110.6	N51 A52 Q79	P49-N51 WeakPolarHBondContact CB-OD1 3.46Å; P49-N51 PolarHBondContact O-N 2.86Å; P49-A52 HydrophobicContact CG-CB 4.27Å; P49-A52 WeakPolarHBondContact O-CB 3.3Å; P49-A52 PolarHBondContact O-N 3.28Å; P49-Q79 WeakPolarHBondContact CD-O 3.24Å; P49-Q79 HydrophobicContact CG-CB 4.16Å
50	A	88	Confident	90.3	Very high	111 Å²	111	75.2 Å²	75.2	92%	0.917	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.3	-173.9	0	0	0	0	0	114
51	N	90.8	Very high	90.1	Very high	122 Å²	122	74.7 Å²	74.7	65%	0.652	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	1.7	178.1	66.2	-15	0	0	0	114.4	P49 V53	P49-N51 WeakPolarHBondContact CB-OD1 3.46Å; P49-N51 PolarHBondContact O-N 2.86Å; N51-V53 PolarHBondContact O-N 3.5Å; N51-V53 VanDerWaalsContact O-N 3.11Å
52	A	89.6	Confident	89.8	Confident	4 Å²	4	83 Å²	83	3%	0.033	44%	0.438	C	S	.	.	S	Bend	trans	-60.4	-21.9	178.6	0	0	0	0	0	113.1	I38 F48 P49 L76	I38-A52 HydrophobicContact CD1-CB 3.88Å; F48-A52 HydrophobicContact CB-CB 4Å; P49-A52 HydrophobicContact CG-CB 4.27Å; P49-A52 WeakPolarHBondContact O-CB 3.3Å; P49-A52 PolarHBondContact O-N 3.28Å; A52-L76 HydrophobicContact CB-CD2 4.37Å
53	V	91.6	Very high	89.7	Confident	25 Å²	25	88.3 Å²	88.3	15%	0.152	45%	0.454	C	S	.	.	S	Bend	trans	-102.2	109.6	168.1	-173.1	0	0	0	0	108.6	Q31 I34 R35 I38 N51 E55	Q31-V53 HydrophobicContact CB-CG1 4.3Å; Q31-V53 HydrophobicContact CG-CG1 4.23Å; I34-V53 HydrophobicContact CG2-CG2 3.96Å; R35-V53 HydrophobicContact CG-CG1 4.16Å; R35-V53 HydrophobicContact CG-CG2 3.82Å; I38-V53 HydrophobicContact CD1-CG2 3.65Å; N51-V53 PolarHBondContact O-N 3.5Å; N51-V53 VanDerWaalsContact O-N 3.11Å; V53-E55 PolarHBondContact O-N 3.03Å
54	P	89.5	Confident	89.7	Confident	42 Å²	42	81.7 Å²	81.7	27%	0.273	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-56.7	133.2	179.6	-24.3	32.2	0	0	0	111.5	Q31 I68 I71	Q31-P54 PolarHBondContact NE2-O 3.13Å; P54-I68 HydrophobicContact CG-CD1 4.44Å; P54-I68 HydrophobicContact CG-CG1 4.29Å; P54-I71 HydrophobicContact CG-CD1 3.4Å
55	E	90.1	Very high	89.7	Confident	179 Å²	179	78.6 Å²	78.6	84%	0.836	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-65.5	150.6	173.6	-68.3	-162.3	157.1	0	0	111.3	V53 P57	V53-E55 PolarHBondContact O-N 3.03Å; E55-P57 VanDerWaalsContact O-CD 3.31Å; E55-P57 WeakPolarHBondContact O-CD 3.3Å
56	R	88.7	Confident	89.6	Confident	121 Å²	121	80.1 Å²	80.1	46%	0.457	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-78.7	117.8	-179.7	-175.5	-177.7	69.4	-179.7	1.7	109.4	F27 V60	F27-R56 HydrophobicContact CD1-CB 4Å; F27-R56 HydrophobicContact CD1-CG 3.79Å; F27-R56 VanDerWaalsContact CE1-CA 3.46Å; F27-R56 HydrophobicContact CE1-CB 3.75Å; F27-R56 HydrophobicContact CE1-CG 3.99Å; R56-V60 HydrophobicContact CG-CG2 3.76Å
57	P	86.1	Confident	89.4	Confident	44 Å²	44	88.9 Å²	88.9	29%	0.286	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-64	154.7	176.8	24.6	-31.2	0	0	0	111.3	E55 R59 V60 D64	E55-P57 VanDerWaalsContact O-CD 3.31Å; E55-P57 WeakPolarHBondContact O-CD 3.3Å; P57-R59 PolarHBondContact O-N 2.89Å; P57-V60 HydrophobicContact CG-CG2 4.35Å; P57-D64 HydrophobicContact CG-CB 4.15Å
58	A	83	Confident	89.4	Confident	107 Å²	107	86 Å²	86	88%	0.884	44%	0.44	S	S	*	.	S	Bend	trans	-55.5	-38.2	-178.5	0	0	0	0	0	112.6
59	R	86.3	Confident	89.1	Confident	213 Å²	213	87.7 Å²	87.7	80%	0.804	45%	0.452	S	S	*	.	S	Bend	trans	-121.8	113	172.2	-171.2	177.7	-176.9	-176.7	1	109.3	P57 T61	P57-R59 PolarHBondContact O-N 2.89Å; R59-T61 PolarHBondContact O-N 3.23Å
60	V	87.2	Confident	89.1	Confident	9 Å²	9	88.4 Å²	88.4	6%	0.055	46%	0.462	C	S	.	.			trans	-82.3	114.6	-180	-178.9	0	0	0	0	110.5	N23 Q24 F27 R56 P57 D64 I65	N23-V60 HydrophobicContact CB-CB 4.28Å; N23-V60 HydrophobicContact CB-CG1 4.07Å; N23-V60 PolarHBondContact ND2-O 3.23Å; Q24-V60 HydrophobicContact CG-CB 4.28Å; Q24-V60 HydrophobicContact CG-CG2 3.91Å; F27-V60 HydrophobicContact CB-CG1 3.69Å; F27-V60 HydrophobicContact CB-CG2 4.33Å; F27-V60 HydrophobicContact CD2-CG1 4.02Å; F27-V60 HydrophobicContact CG-CG1 4.1Å; F27-V60 HydrophobicContact CG-CG2 4.42Å; R56-V60 HydrophobicContact CG-CG2 3.76Å; P57-V60 HydrophobicContact CG-CG2 4.35Å; V60-D64 HydrophobicContact CG1-CB 4.36Å; V60-I65 HydrophobicContact CG1-CD1 4.22Å; V60-I65 HydrophobicContact CG1-CG1 3.85Å
61	T	88.8	Confident	89.3	Confident	57 Å²	57	84.9 Å²	84.9	35%	0.35	43%	0.427	S	S	.	.			trans	-93.5	167.3	175.7	71.6	0	0	0	0	111.7	R59 R63 D64 I65	R59-T61 PolarHBondContact O-N 3.23Å; T61-R63 PolarHBondContact O-N 2.94Å; T61-R63 PolarHBondContact OG1-N 3.17Å; T61-D64 WeakPolarHBondContact CB-OD2 3.29Å; T61-D64 PolarHBondContact N-OD2 3.3Å; T61-D64 PolarHBondContact O-N 3.43Å; T61-D64 PolarHBondContact OG1-N 3.49Å; T61-D64 VanDerWaalsContact OG1-N 3.17Å; T61-D64 PolarHBondContact OG1-OD2 3.37Å; T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 2.94Å
62	K	86.7	Confident	89.3	Confident	174 Å²	174	85.3 Å²	85.3	76%	0.757	42%	0.424	S	S	*	.	H	α-helix	trans	-60.8	-31.7	170.7	-72.7	-174.1	178.7	-179.5	0	112.1	I65 A66	K62-I65 PolarHBondContact O-N 2.97Å; K62-A66 PolarHBondContact O-N 3.09Å
63	R	90	Very high	89.3	Confident	209 Å²	209	87.7 Å²	87.7	79%	0.789	44%	0.438	S	S	*	.	H	α-helix	trans	-66.4	-39	175.6	-72.8	-175.9	179	171.6	-0.6	111.7	T61 I65 A66 R67	T61-R63 PolarHBondContact O-N 2.94Å; T61-R63 PolarHBondContact OG1-N 3.17Å; R63-I65 VanDerWaalsContact C-N 3.34Å; R63-A66 PolarHBondContact O-N 2.73Å; R63-R67 WeakPolarHBondContact O-CG 3.36Å; R63-R67 PolarHBondContact O-N 3.35Å
64	D	91.2	Very high	89.1	Confident	32 Å²	32	90.5 Å²	90.5	17%	0.171	45%	0.45	C	S	.	.	H	α-helix	trans	-65.5	-40.2	176.9	-56.4	-47	0	0	0	111.4	F27 P57 V60 T61 R67 I68	F27-D64 HydrophobicContact CD2-CB 4.14Å; F27-D64 HydrophobicContact CE2-CB 4.02Å; P57-D64 HydrophobicContact CG-CB 4.15Å; V60-D64 HydrophobicContact CG1-CB 4.36Å; T61-D64 WeakPolarHBondContact CB-OD2 3.29Å; T61-D64 PolarHBondContact N-OD2 3.3Å; T61-D64 PolarHBondContact O-N 3.43Å; T61-D64 PolarHBondContact OG1-N 3.49Å; T61-D64 VanDerWaalsContact OG1-N 3.17Å; T61-D64 PolarHBondContact OG1-OD2 3.37Å; D64-R67 PolarHBondContact O-N 3.01Å; D64-I68 WeakPolarHBondContact O-CG2 3.36Å; D64-I68 PolarHBondContact O-N 3.23Å; D64-I68 VanDerWaalsContact O-N 3.07Å
65	I	89.3	Confident	89.1	Confident	30 Å²	30	91 Å²	91	15%	0.154	45%	0.452	C	S	.	.	H	α-helix	trans	-63.4	-42.7	174.4	-61.9	165.2	0	0	0	110.5	N23 A26 F27 V60 T61 K62 R63 I68 T69	N23-I65 HydrophobicContact CB-CD1 3.82Å; A26-I65 HydrophobicContact CB-CD1 3.99Å; A26-I65 HydrophobicContact CB-CG1 4.39Å; A26-I65 HydrophobicContact CB-CG2 4.35Å; F27-I65 HydrophobicContact CB-CG1 4.39Å; V60-I65 HydrophobicContact CG1-CD1 4.22Å; V60-I65 HydrophobicContact CG1-CG1 3.85Å; T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 2.94Å; K62-I65 PolarHBondContact O-N 2.97Å; R63-I65 VanDerWaalsContact C-N 3.34Å; I65-I68 WeakPolarHBondContact O-CG2 3.2Å; I65-T69 VanDerWaalsContact O-CB 3.23Å; I65-T69 WeakPolarHBondContact O-CB 3.44Å; I65-T69 PolarHBondContact O-N 2.83Å; I65-T69 PolarHBondContact O-OG1 2.82Å
66	A	89.3	Confident	89.2	Confident	60 Å²	60	82.7 Å²	82.7	50%	0.496	41%	0.413	S	S	.	.	H	α-helix	trans	-62.8	-45.5	176.7	0	0	0	0	0	111.9	K62 R63 T69 A70	K62-A66 PolarHBondContact O-N 3.09Å; R63-A66 PolarHBondContact O-N 2.73Å; A66-T69 PolarHBondContact O-N 3.3Å; A66-A70 WeakPolarHBondContact O-CB 3.27Å; A66-A70 PolarHBondContact O-N 3.33Å
67	R	91	Very high	89.5	Confident	191 Å²	191	77.7 Å²	77.7	72%	0.721	40%	0.395	S	S	*	.	H	α-helix	trans	-58.5	-50.9	177.7	-79.6	-179.6	174.3	178.4	-3.6	112.5	R63 D64 T69 A70	R63-R67 WeakPolarHBondContact O-CG 3.36Å; R63-R67 PolarHBondContact O-N 3.35Å; D64-R67 PolarHBondContact O-N 3.01Å; R67-T69 VanDerWaalsContact C-N 3.3Å; R67-T69 PolarHBondContact O-N 2.89Å; R67-A70 PolarHBondContact O-N 3.13Å
68	I	92.6	Very high	89.7	Confident	2 Å²	2	81.6 Å²	81.6	1%	0.01	41%	0.409	C	S	.	.	H	α-helix	trans	-69.1	-30.4	179.7	-165.4	169.6	0	0	0	112.3	F27 Q30 Q31 I34 P54 D64 I65 A70 I71	F27-I68 HydrophobicContact CD1-CD1 4.29Å; F27-I68 HydrophobicContact CD2-CB 4.38Å; F27-I68 HydrophobicContact CD2-CD1 4.45Å; F27-I68 HydrophobicContact CD2-CG2 3.74Å; F27-I68 HydrophobicContact CE1-CD1 3.89Å; F27-I68 HydrophobicContact CE2-CB 3.99Å; F27-I68 HydrophobicContact CE2-CD1 4.07Å; F27-I68 HydrophobicContact CE2-CG2 3.86Å; F27-I68 HydrophobicContact CG-CG2 4.42Å; F27-I68 HydrophobicContact CZ-CB 4.46Å; F27-I68 HydrophobicContact CZ-CD1 3.78Å; Q30-I68 HydrophobicContact CB-CB 4.39Å; Q30-I68 HydrophobicContact CB-CD1 4.06Å; Q30-I68 HydrophobicContact CB-CG1 3.94Å; Q30-I68 HydrophobicContact CB-CG2 3.66Å; Q30-I68 HydrophobicContact CG-CG2 4.03Å; Q31-I68 HydrophobicContact CB-CD1 4.21Å; Q31-I68 HydrophobicContact CG-CD1 3.38Å; I34-I68 HydrophobicContact CD1-CD1 4.19Å; I34-I68 HydrophobicContact CD1-CG1 3.65Å; P54-I68 HydrophobicContact CG-CD1 4.44Å; P54-I68 HydrophobicContact CG-CG1 4.29Å; D64-I68 WeakPolarHBondContact O-CG2 3.36Å; D64-I68 PolarHBondContact O-N 3.23Å; D64-I68 VanDerWaalsContact O-N 3.07Å; I65-I68 WeakPolarHBondContact O-CG2 3.2Å; I68-A70 VanDerWaalsContact C-N 3.31Å; I68-I71 HydrophobicContact CG1-CD1 4.45Å; I68-I71 PolarHBondContact O-N 3.49Å
69	T	90.5	Very high	90	Very high	57 Å²	57	81 Å²	81	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-68	-34.4	177.1	-59.3	0	0	0	0	111.5	R33 I65 A66 R67 I71	R33-T69 PolarHBondContact NH2-O 3.48Å; R33-T69 VanDerWaalsContact NH2-O 3.07Å; I65-T69 VanDerWaalsContact O-CB 3.23Å; I65-T69 WeakPolarHBondContact O-CB 3.44Å; I65-T69 PolarHBondContact O-N 2.83Å; I65-T69 PolarHBondContact O-OG1 2.82Å; A66-T69 PolarHBondContact O-N 3.3Å; R67-T69 VanDerWaalsContact C-N 3.3Å; R67-T69 PolarHBondContact O-N 2.89Å; T69-I71 VanDerWaalsContact C-N 3.26Å; T69-I71 PolarHBondContact O-N 2.91Å
70	A	91.5	Very high	90.4	Very high	68 Å²	68	71 Å²	71	56%	0.562	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.7	-179.9	0	0	0	0	0	114.5	A66 R67 I68 K72	A66-A70 WeakPolarHBondContact O-CB 3.27Å; A66-A70 PolarHBondContact O-N 3.33Å; R67-A70 PolarHBondContact O-N 3.13Å; I68-A70 VanDerWaalsContact C-N 3.31Å; A70-K72 PolarHBondContact O-N 3.4Å; A70-K72 VanDerWaalsContact O-N 3.08Å
71	I	91	Very high	90.7	Very high	36 Å²	36	73.6 Å²	73.6	19%	0.185	37%	0.367	C	S	.	.			trans	-69.5	105.9	176.2	-61	175.3	0	0	0	109.4	R33 I34 P54 I68 T69 L76	R33-I71 PolarHBondContact NH2-O 2.73Å; I34-I71 HydrophobicContact CD1-CB 4.08Å; I34-I71 HydrophobicContact CD1-CD1 3.89Å; I34-I71 HydrophobicContact CD1-CG2 4.12Å; P54-I71 HydrophobicContact CG-CD1 3.4Å; I68-I71 HydrophobicContact CG1-CD1 4.45Å; I68-I71 PolarHBondContact O-N 3.49Å; T69-I71 VanDerWaalsContact C-N 3.26Å; T69-I71 PolarHBondContact O-N 2.91Å; I71-L76 HydrophobicContact CG2-CD1 4.01Å; I71-L76 HydrophobicContact CG2-CD2 3.73Å; I71-L76 HydrophobicContact CG2-CG 3.67Å
72	K	90.5	Very high	90.9	Very high	132 Å²	132	71 Å²	71	57%	0.574	35%	0.351	S	S	*	.			trans	-89.4	156.3	177.6	-65	-176.6	-178.3	177.6	0	111.1	A70 E74 T75 L76	A70-K72 PolarHBondContact O-N 3.4Å; A70-K72 VanDerWaalsContact O-N 3.08Å; K72-E74 WeakPolarHBondContact CB-OE2 3.5Å; K72-E74 PolarHBondContact O-N 2.8Å; K72-T75 PolarHBondContact O-N 3.45Å; K72-L76 PolarHBondContact O-N 2.82Å
73	P	89.9	Confident	90.9	Very high	53 Å²	53	67.5 Å²	67.5	34%	0.344	34%	0.339	S	S	.	.	H	α-helix	trans	-46.4	-41.5	170.7	-33.9	40.7	0	0	0	114.2	F37 L76 Y77	F37-P73 HydrophobicContact CD2-CB 4.28Å; F37-P73 HydrophobicContact CD2-CG 4.3Å; F37-P73 HydrophobicContact CE2-CB 3.5Å; F37-P73 HydrophobicContact CE2-CG 3.99Å; F37-P73 HydrophobicContact CZ-CB 3.63Å; F37-P73 HydrophobicContact CZ-CG 4.47Å; P73-L76 WeakPolarHBondContact O-CB 3.25Å; P73-L76 PolarHBondContact O-N 3.37Å; P73-Y77 WeakPolarHBondContact O-CD2 3.41Å; P73-Y77 PolarHBondContact O-N 3.45Å
74	E	88.9	Confident	90.7	Very high	85 Å²	85	60.6 Å²	60.6	40%	0.397	31%	0.314	S	S	.	.	H	α-helix	trans	-57.4	-51.4	179.3	-68.1	62.7	-135.4	0	0	111.2	K72 L76 Y77 E78 R95	K72-E74 WeakPolarHBondContact CB-OE2 3.5Å; K72-E74 PolarHBondContact O-N 2.8Å; E74-L76 PolarHBondContact O-N 3.06Å; E74-Y77 PolarHBondContact O-N 3.45Å; E74-Y77 VanDerWaalsContact O-N 3.08Å; E74-E78 WeakPolarHBondContact O-CG 3.44Å; E74-E78 PolarHBondContact O-N 2.79Å; E74-R95 IonicContact OE1-NH1 2.62Å; E74-R95 PolarHBondContact OE1-NH1 2.84Å; E74-R95 VanDerWaalsContact OE1-NH1 3.14Å
75	T	89.3	Confident	90.3	Very high	52 Å²	52	66.2 Å²	66.2	32%	0.319	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-27.9	179.3	-38.9	0	0	0	0	112.6	K72 Q79	K72-T75 PolarHBondContact O-N 3.45Å; T75-Q79 WeakPolarHBondContact O-CG 3.44Å
76	L	92.4	Very high	90	Very high	4 Å²	4	68.3 Å²	68.3	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-73.7	-41.1	174.5	-69.1	168.2	0	0	0	111.3	I34 F37 F48 A52 I71 K72 P73 E74 E78 Q79 A80	I34-L76 HydrophobicContact CG2-CD1 3.92Å; I34-L76 HydrophobicContact CG2-CD2 4.06Å; F37-L76 HydrophobicContact CD1-CB 4.27Å; F37-L76 HydrophobicContact CD1-CD1 3.41Å; F37-L76 VanDerWaalsContact CD1-CD1 3.41Å; F37-L76 HydrophobicContact CD1-CG 4.47Å; F37-L76 HydrophobicContact CE1-CB 3.68Å; F37-L76 HydrophobicContact CE1-CD1 3.65Å; F37-L76 HydrophobicContact CE1-CG 4.32Å; F37-L76 HydrophobicContact CG-CD1 4.26Å; F48-L76 HydrophobicContact CD1-CB 4.4Å; F48-L76 WeakPolarHBondContact CD1-O 3.32Å; F48-L76 HydrophobicContact CE1-CB 3.9Å; F48-L76 VanDerWaalsContact CE1-O 3.25Å; F48-L76 WeakPolarHBondContact CE1-O 3.47Å; A52-L76 HydrophobicContact CB-CD2 4.37Å; I71-L76 HydrophobicContact CG2-CD1 4.01Å; I71-L76 HydrophobicContact CG2-CD2 3.73Å; I71-L76 HydrophobicContact CG2-CG 3.67Å; K72-L76 PolarHBondContact O-N 2.82Å; P73-L76 WeakPolarHBondContact O-CB 3.25Å; P73-L76 PolarHBondContact O-N 3.37Å; E74-L76 PolarHBondContact O-N 3.06Å; L76-E78 VanDerWaalsContact C-N 3.32Å; L76-Q79 PolarHBondContact O-N 2.95Å; L76-A80 PolarHBondContact O-N 3.2Å
77	Y	93.6	Very high	89.5	Confident	16 Å²	16	68.7 Å²	68.7	6%	0.063	37%	0.367	C	S	.	.	H	α-helix	trans	-66.9	-32.9	176.4	-72.7	-66	0	0	0	112.9	F37 A41 R44 Y46 F48 P73 E74 Q79 A80 G91 R95	F37-Y77 HydrophobicContact CE1-CE2 4.45Å; F37-Y77 HydrophobicContact CE2-CE2 4.01Å; F37-Y77 AromaticContact CZ-CD2 3.92Å; F37-Y77 HydrophobicContact CZ-CD2 3.92Å; F37-Y77 HydrophobicContact CZ-CE1 4.24Å; F37-Y77 AromaticContact CZ-CE2 3.39Å; F37-Y77 HydrophobicContact CZ-CE2 3.39Å; F37-Y77 AromaticContact CZ-CZ 3.56Å; A41-Y77 HydrophobicContact CB-CE1 4.14Å; R44-Y77 PolarHBondContact NH2-OH 2.76Å; Y46-Y77 AromaticContact CD1-CD1 3.71Å; Y46-Y77 HydrophobicContact CD1-CD1 3.71Å; Y46-Y77 AromaticContact CD1-CE1 3.86Å; Y46-Y77 HydrophobicContact CD1-CE1 3.86Å; Y46-Y77 HydrophobicContact CD2-CE1 4.12Å; Y46-Y77 AromaticContact CE1-CD1 3.46Å; Y46-Y77 HydrophobicContact CE1-CD1 3.46Å; Y46-Y77 VanDerWaalsContact CE1-CD1 3.46Å; Y46-Y77 AromaticContact CE1-CE1 3.6Å; Y46-Y77 HydrophobicContact CE1-CE1 3.6Å; Y46-Y77 AromaticContact CE2-CE1 3.87Å; Y46-Y77 HydrophobicContact CE2-CE1 3.87Å; Y46-Y77 HydrophobicContact CG-CD1 4.36Å; Y46-Y77 HydrophobicContact CG-CE1 4.1Å; Y46-Y77 AromaticContact CZ-CD1 3.92Å; Y46-Y77 AromaticContact CZ-CE1 3.58Å; F48-Y77 HydrophobicContact CZ-CD1 4.39Å; F48-Y77 HydrophobicContact CZ-CE1 4.5Å; P73-Y77 WeakPolarHBondContact O-CD2 3.41Å; P73-Y77 PolarHBondContact O-N 3.45Å; E74-Y77 PolarHBondContact O-N 3.45Å; E74-Y77 VanDerWaalsContact O-N 3.08Å; Y77-Q79 PolarHBondContact O-N 3.12Å; Y77-A80 PolarHBondContact O-N 3.45Å; Y77-G91 CarbonylContact O-C 3.59Å; Y77-G91 WeakPolarHBondContact O-CA 3.24Å; Y77-R95 HydrophobicContact CD1-CG 4.18Å; Y77-R95 HydrophobicContact CD2-CG 4.1Å; Y77-R95 HydrophobicContact CE1-CG 4.22Å; Y77-R95 HydrophobicContact CE2-CG 4.08Å; Y77-R95 HydrophobicContact CG-CG 4.12Å
78	E	90.3	Very high	89.3	Confident	126 Å²	126	64.2 Å²	64.2	59%	0.589	36%	0.361	S	S	*	.	H	α-helix	trans	-59.4	-27.4	173.5	-72.6	165.6	-169.8	0	0	112.5	E74 L76	E74-E78 WeakPolarHBondContact O-CG 3.44Å; E74-E78 PolarHBondContact O-N 2.79Å; L76-E78 VanDerWaalsContact C-N 3.32Å
79	Q	90.5	Very high	89.1	Confident	95 Å²	95	65.9 Å²	65.9	44%	0.444	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-7	177.3	-61.8	175	11.6	0	0	112.9	P49 T75 L76 Y77	P49-Q79 WeakPolarHBondContact CD-O 3.24Å; P49-Q79 HydrophobicContact CG-CB 4.16Å; T75-Q79 WeakPolarHBondContact O-CG 3.44Å; L76-Q79 PolarHBondContact O-N 2.95Å; Y77-Q79 PolarHBondContact O-N 3.12Å
80	A	93.7	Very high	89.1	Confident	4 Å²	4	66.5 Å²	66.5	3%	0.033	37%	0.372	C	S	.	.			trans	-91.5	158.3	-174.9	0	0	0	0	0	112.1	Y46 S47 F48 L76 Y77 G91	Y46-A80 HydrophobicContact CD1-CB 4.22Å; S47-A80 CarbonylContact O-C 3.59Å; S47-A80 WeakPolarHBondContact O-CA 3.35Å; S47-A80 WeakPolarHBondContact O-CB 3.38Å; F48-A80 HydrophobicContact CD1-CB 3.69Å; F48-A80 HydrophobicContact CD2-CB 4.48Å; F48-A80 HydrophobicContact CE1-CB 3.58Å; F48-A80 HydrophobicContact CE2-CB 4.38Å; F48-A80 HydrophobicContact CG-CB 4.16Å; F48-A80 HydrophobicContact CZ-CB 3.94Å; L76-A80 PolarHBondContact O-N 3.2Å; Y77-A80 PolarHBondContact O-N 3.45Å; A80-G91 PolarHBondContact O-N 2.81Å
81	T	93.3	Very high	89	Confident	62 Å²	62	63.3 Å²	63.3	38%	0.38	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	154.7	159.5	55.1	0	0	0	0	109.4	Y46 S47 T88 F89	Y46-T81 CarbonylContact C-O 3.48Å; Y46-T81 VanDerWaalsContact CA-O 3.23Å; Y46-T81 WeakPolarHBondContact CA-O 3.48Å; S47-T81 PolarHBondContact N-O 3.24Å; S47-T81 PolarHBondContact O-N 3.23Å; T81-T88 HydrophobicContact CG2-CG2 4.26Å; T81-F89 CarbonylContact C-O 3.55Å; T81-F89 WeakPolarHBondContact CA-O 3.46Å
82	F	94.6	Very high	88.8	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.9	179.9	174.5	-107	0	0	0	109	R44 G45 Y46 Y84 T88 F89 G94 I97 E98	R44-F82 WeakPolarHBondContact O-CE2 3.07Å; G45-F82 WeakPolarHBondContact O-CA 3.47Å; Y46-F82 HydrophobicContact CD1-CB 3.87Å; Y46-F82 AromaticContact CD1-CD2 3.89Å; Y46-F82 HydrophobicContact CD1-CD2 3.89Å; Y46-F82 HydrophobicContact CD1-CG 4.32Å; Y46-F82 AromaticContact CD2-CD2 3.74Å; Y46-F82 HydrophobicContact CD2-CD2 3.74Å; Y46-F82 HydrophobicContact CD2-CE2 4.17Å; Y46-F82 HydrophobicContact CE1-CB 3.84Å; Y46-F82 AromaticContact CE1-CD2 3.72Å; Y46-F82 HydrophobicContact CE1-CD2 3.72Å; Y46-F82 HydrophobicContact CE1-CG 4.06Å; Y46-F82 AromaticContact CE2-CD2 3.59Å; Y46-F82 HydrophobicContact CE2-CD2 3.59Å; Y46-F82 AromaticContact CE2-CE2 3.76Å; Y46-F82 HydrophobicContact CE2-CE2 3.76Å; Y46-F82 AromaticContact CG-CD2 3.91Å; Y46-F82 HydrophobicContact CG-CD2 3.91Å; Y46-F82 AromaticContact CZ-CD2 3.58Å; Y46-F82 AromaticContact CZ-CE2 3.99Å; F82-Y84 HydrophobicContact CE1-CD2 4.33Å; F82-Y84 HydrophobicContact CE1-CG 4.03Å; F82-Y84 HydrophobicContact CZ-CD2 4.24Å; F82-Y84 HydrophobicContact CZ-CG 4.39Å; F82-T88 CarbonylContact O-C 3.46Å; F82-T88 WeakPolarHBondContact O-CA 3.5Å; F82-F89 HydrophobicContact CB-CB 4.37Å; F82-F89 HydrophobicContact CD1-CB 4.28Å; F82-F89 AromaticContact CD1-CD2 3.99Å; F82-F89 HydrophobicContact CD1-CD2 3.99Å; F82-F89 HydrophobicContact CD1-CG 4.48Å; F82-F89 PolarHBondContact N-O 3.06Å; F82-F89 PolarHBondContact O-N 3.24Å; F82-G94 VanDerWaalsContact CG-CA 3.49Å; F82-I97 HydrophobicContact CD1-CD1 4.21Å; F82-I97 HydrophobicContact CE1-CB 4.09Å; F82-I97 HydrophobicContact CE1-CD1 3.95Å; F82-I97 HydrophobicContact CE1-CG2 4.04Å; F82-I97 HydrophobicContact CZ-CG2 4.49Å; F82-E98 HydrophobicContact CE2-CG 4.47Å; F82-E98 HydrophobicContact CZ-CG 4.35Å
83	I	86.7	Confident	88.5	Confident	99 Å²	99	62.8 Å²	62.8	51%	0.508	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.3	178.6	-58.3	176.3	0	0	0	108.3	G45 S87	G45-I83 PolarHBondContact O-N 3.18Å; I83-S87 WeakPolarHBondContact CA-O 3.39Å
84	Y	85.3	Confident	88.5	Confident	65 Å²	65	60.3 Å²	60.3	26%	0.255	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	127.7	175.9	-178.5	-95.8	0	0	0	109.7	F82 G86 S87 I97 L101	F82-Y84 HydrophobicContact CE1-CD2 4.33Å; F82-Y84 HydrophobicContact CE1-CG 4.03Å; F82-Y84 HydrophobicContact CZ-CD2 4.24Å; F82-Y84 HydrophobicContact CZ-CG 4.39Å; Y84-G86 PolarHBondContact O-N 3.47Å; Y84-G86 VanDerWaalsContact O-N 3.08Å; Y84-S87 PolarHBondContact N-O 3.4Å; Y84-S87 PolarHBondContact O-N 3.09Å; Y84-I97 HydrophobicContact CD1-CG2 4.05Å; Y84-I97 HydrophobicContact CD2-CG2 4.33Å; Y84-I97 HydrophobicContact CE1-CG2 4.28Å; Y84-I97 HydrophobicContact CG-CG2 4.1Å; Y84-L101 HydrophobicContact CD2-CD1 4.4Å; Y84-L101 HydrophobicContact CE2-CD1 3.6Å
85	E	82.7	Confident	88.6	Confident	150 Å²	150	58.9 Å²	58.9	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	35	-178.3	-66.8	-177.6	-167.1	0	0	114.8	S87	E85-S87 VanDerWaalsContact C-N 3.29Å; E85-S87 PolarHBondContact O-N 3Å
86	G	82.4	Confident	88.4	Confident	73 Å²	73	60.8 Å²	60.8	75%	0.753	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-10.3	178.4	0	0	0	0	0	114.8	Y84	Y84-G86 PolarHBondContact O-N 3.47Å; Y84-G86 VanDerWaalsContact O-N 3.08Å
87	S	79.1	Confident	87.9	Confident	68 Å²	68	61.7 Å²	61.7	48%	0.476	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	143.5	173.9	-63	0	0	0	0	111.2	I83 Y84 E85	I83-S87 WeakPolarHBondContact CA-O 3.39Å; Y84-S87 PolarHBondContact N-O 3.4Å; Y84-S87 PolarHBondContact O-N 3.09Å; E85-S87 VanDerWaalsContact C-N 3.29Å; E85-S87 PolarHBondContact O-N 3Å
88	T	86.9	Confident	87.6	Confident	98 Å²	98	63 Å²	63	60%	0.601	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.2	175.1	-56.6	0	0	0	0	109.3	T81 F82	T81-T88 HydrophobicContact CG2-CG2 4.26Å; F82-T88 CarbonylContact O-C 3.46Å; F82-T88 WeakPolarHBondContact O-CA 3.5Å
89	F	87.2	Confident	87.3	Confident	36 Å²	36	64.9 Å²	64.9	16%	0.158	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	161.1	177.8	-57.5	-87.5	0	0	0	109.7	T81 F82 E93 I97 L546	T81-F89 CarbonylContact C-O 3.55Å; T81-F89 WeakPolarHBondContact CA-O 3.46Å; F82-F89 HydrophobicContact CB-CB 4.37Å; F82-F89 HydrophobicContact CD1-CB 4.28Å; F82-F89 AromaticContact CD1-CD2 3.99Å; F82-F89 HydrophobicContact CD1-CD2 3.99Å; F82-F89 HydrophobicContact CD1-CG 4.48Å; F82-F89 PolarHBondContact N-O 3.06Å; F82-F89 PolarHBondContact O-N 3.24Å; F89-E93 HydrophobicContact CB-CB 3.89Å; F89-E93 HydrophobicContact CD1-CB 4.37Å; F89-I97 HydrophobicContact CD1-CD1 3.83Å; F89-I97 HydrophobicContact CD2-CD1 3.7Å; F89-I97 HydrophobicContact CE1-CD1 3.86Å; F89-I97 HydrophobicContact CE2-CD1 3.73Å; F89-I97 HydrophobicContact CG-CD1 3.74Å; F89-I97 HydrophobicContact CZ-CD1 3.81Å; F89-L546 HydrophobicContact CE1-CD1 4.03Å; F89-L546 HydrophobicContact CZ-CD1 3.86Å
90	T	91.1	Very high	86.6	Confident	71 Å²	71	63.3 Å²	63.3	44%	0.436	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	154.6	162.8	63.7	0	0	0	0	109.7	T92 E93 G94	T90-T92 PolarHBondContact O-N 2.88Å; T90-E93 WeakPolarHBondContact CB-OE2 3.49Å; T90-E93 WeakPolarHBondContact CG2-OE2 3.19Å; T90-E93 PolarHBondContact N-OE2 2.73Å; T90-E93 PolarHBondContact O-N 3.31Å; T90-E93 VanDerWaalsContact O-N 3.14Å; T90-E93 VanDerWaalsContact OG1-CD 3.26Å; T90-E93 VanDerWaalsContact OG1-CG 3.27Å; T90-E93 WeakPolarHBondContact OG1-CG 3.36Å; T90-E93 PolarHBondContact OG1-N 2.84Å; T90-E93 PolarHBondContact OG1-OE2 3.36Å; T90-G94 PolarHBondContact O-N 3.03Å
91	G	89.3	Confident	85.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-26.6	178.8	0	0	0	0	0	113	Y46 Y77 A80 R95	Y46-G91 WeakPolarHBondContact CE1-O 3.39Å; Y77-G91 CarbonylContact O-C 3.59Å; Y77-G91 WeakPolarHBondContact O-CA 3.24Å; A80-G91 PolarHBondContact O-N 2.81Å; G91-R95 PolarHBondContact O-N 3.15Å; G91-R95 VanDerWaalsContact O-N 3.12Å
92	T	86.4	Confident	85	Confident	69 Å²	69	65.8 Å²	65.8	42%	0.423	36%	0.362	S	S	.	.	H	α-helix	trans	-66.5	-46.8	172.9	-53.9	0	0	0	0	111.7	T90 R95 M96	T90-T92 PolarHBondContact O-N 2.88Å; T92-R95 WeakPolarHBondContact O-CB 3.39Å; T92-R95 PolarHBondContact O-N 3.3Å; T92-M96 PolarHBondContact O-N 2.88Å
93	E	85.8	Confident	83.9	Confident	89 Å²	89	68.8 Å²	68.8	42%	0.416	39%	0.387	S	S	.	.	H	α-helix	trans	-62.9	-42.3	174.2	-73.3	163.9	143.2	0	0	111.4	F89 T90 R95 M96 I97	F89-E93 HydrophobicContact CB-CB 3.89Å; F89-E93 HydrophobicContact CD1-CB 4.37Å; T90-E93 WeakPolarHBondContact CB-OE2 3.49Å; T90-E93 WeakPolarHBondContact CG2-OE2 3.19Å; T90-E93 PolarHBondContact N-OE2 2.73Å; T90-E93 PolarHBondContact O-N 3.31Å; T90-E93 VanDerWaalsContact O-N 3.14Å; T90-E93 VanDerWaalsContact OG1-CD 3.26Å; T90-E93 VanDerWaalsContact OG1-CG 3.27Å; T90-E93 WeakPolarHBondContact OG1-CG 3.36Å; T90-E93 PolarHBondContact OG1-N 2.84Å; T90-E93 PolarHBondContact OG1-OE2 3.36Å; E93-R95 PolarHBondContact O-N 3.05Å; E93-M96 WeakPolarHBondContact O-CA 3.21Å; E93-M96 WeakPolarHBondContact O-CB 3.47Å; E93-M96 PolarHBondContact O-N 3.47Å; E93-I97 PolarHBondContact O-N 3.5Å
94	G	90.1	Very high	82.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-56.1	-37.1	175.4	0	0	0	0	0	113.2	Y46 F82 T90 M96 I97 E98	Y46-G94 PolarHBondContact OH-O 2.75Å; F82-G94 VanDerWaalsContact CG-CA 3.49Å; T90-G94 PolarHBondContact O-N 3.03Å; G94-M96 VanDerWaalsContact C-N 3.3Å; G94-M96 PolarHBondContact O-N 2.75Å; G94-I97 PolarHBondContact O-N 2.71Å; G94-E98 PolarHBondContact O-N 3.41Å
95	R	90.9	Very high	82.2	Confident	56 Å²	56	73.1 Å²	73.1	21%	0.211	41%	0.405	C	S	.	.	H	α-helix	trans	-66.5	-33	175.3	-86.3	-171	63.8	165.6	-1.3	112.7	Y46 E74 Y77 G91 T92 E93 R99	Y46-R95 VanDerWaalsContact OH-CA 3.25Å; Y46-R95 WeakPolarHBondContact OH-CA 3.35Å; Y46-R95 WeakPolarHBondContact OH-CG 3.24Å; Y46-R95 PolarHBondContact OH-N 3.34Å; E74-R95 IonicContact OE1-NH1 2.62Å; E74-R95 PolarHBondContact OE1-NH1 2.84Å; E74-R95 VanDerWaalsContact OE1-NH1 3.14Å; Y77-R95 HydrophobicContact CD1-CG 4.18Å; Y77-R95 HydrophobicContact CD2-CG 4.1Å; Y77-R95 HydrophobicContact CE1-CG 4.22Å; Y77-R95 HydrophobicContact CE2-CG 4.08Å; Y77-R95 HydrophobicContact CG-CG 4.12Å; G91-R95 PolarHBondContact O-N 3.15Å; G91-R95 VanDerWaalsContact O-N 3.12Å; T92-R95 WeakPolarHBondContact O-CB 3.39Å; T92-R95 PolarHBondContact O-N 3.3Å; E93-R95 PolarHBondContact O-N 3.05Å; R95-R99 WeakPolarHBondContact O-CB 3.17Å; R95-R99 VanDerWaalsContact O-CG 3.29Å; R95-R99 WeakPolarHBondContact O-CG 3.22Å; R95-R99 PolarHBondContact O-N 2.83Å; R95-R99 VanDerWaalsContact O-N 3.11Å
96	M	83.5	Confident	81.5	Confident	92 Å²	92	67.8 Å²	67.8	45%	0.453	39%	0.39	S	S	.	.	H	α-helix	trans	-70.2	-42.1	176.2	-61.5	-178.8	77	0	0	110	T92 E93 G94 R99 S100 A569	T92-M96 PolarHBondContact O-N 2.88Å; E93-M96 WeakPolarHBondContact O-CA 3.21Å; E93-M96 WeakPolarHBondContact O-CB 3.47Å; E93-M96 PolarHBondContact O-N 3.47Å; G94-M96 VanDerWaalsContact C-N 3.3Å; G94-M96 PolarHBondContact O-N 2.75Å; M96-R99 PolarHBondContact O-N 3.2Å; M96-S100 WeakPolarHBondContact O-CB 3.35Å; M96-S100 PolarHBondContact O-N 3.47Å; M96-A569 HydrophobicContact CE-CB 4.2Å; M96-A569 HydrophobicContact SD-CB 4.3Å
97	I	83.5	Confident	80.3	Confident	22 Å²	22	67 Å²	67	11%	0.113	38%	0.377	C	S	.	.	H	α-helix	trans	-58.1	-51.8	174.1	-64.8	169.1	0	0	0	110.4	F82 Y84 F89 E93 G94 R99 S100 L101	F82-I97 HydrophobicContact CD1-CD1 4.21Å; F82-I97 HydrophobicContact CE1-CB 4.09Å; F82-I97 HydrophobicContact CE1-CD1 3.95Å; F82-I97 HydrophobicContact CE1-CG2 4.04Å; F82-I97 HydrophobicContact CZ-CG2 4.49Å; Y84-I97 HydrophobicContact CD1-CG2 4.05Å; Y84-I97 HydrophobicContact CD2-CG2 4.33Å; Y84-I97 HydrophobicContact CE1-CG2 4.28Å; Y84-I97 HydrophobicContact CG-CG2 4.1Å; F89-I97 HydrophobicContact CD1-CD1 3.83Å; F89-I97 HydrophobicContact CD2-CD1 3.7Å; F89-I97 HydrophobicContact CE1-CD1 3.86Å; F89-I97 HydrophobicContact CE2-CD1 3.73Å; F89-I97 HydrophobicContact CG-CD1 3.74Å; F89-I97 HydrophobicContact CZ-CD1 3.81Å; E93-I97 PolarHBondContact O-N 3.5Å; G94-I97 PolarHBondContact O-N 2.71Å; I97-R99 VanDerWaalsContact C-N 3.31Å; I97-R99 PolarHBondContact O-N 3.43Å; I97-S100 WeakPolarHBondContact O-CB 3.25Å; I97-S100 PolarHBondContact O-N 2.98Å; I97-L101 HydrophobicContact CG2-CD1 3.77Å; I97-L101 HydrophobicContact CG2-CG 4.37Å; I97-L101 WeakPolarHBondContact O-CG 2.98Å; I97-L101 PolarHBondContact O-N 3.41Å
98	E	86.9	Confident	79.2	Confident	45 Å²	45	68.9 Å²	68.9	21%	0.21	38%	0.381	C	S	.	.	H	α-helix	trans	-58.3	-40.9	177.6	-81.6	-168.9	132.9	0	0	113.1	R44 Y46 F82 G94 A102	R44-E98 WeakPolarHBondContact CB-OE1 3.25Å; R44-E98 VanDerWaalsContact CD-OE1 3.24Å; R44-E98 WeakPolarHBondContact CD-OE1 3.4Å; R44-E98 IonicContact CZ-OE1 3.05Å; R44-E98 IonicContact CZ-OE2 2.87Å; R44-E98 IonicContact NE-OE1 3.96Å; R44-E98 IonicContact NH1-OE1 2.97Å; R44-E98 PolarHBondContact NH1-OE1 3.38Å; R44-E98 IonicContact NH1-OE2 3.64Å; R44-E98 PolarHBondContact NH1-OE2 3.07Å; Y46-E98 PolarHBondContact OH-OE2 3.13Å; F82-E98 HydrophobicContact CE2-CG 4.47Å; F82-E98 HydrophobicContact CZ-CG 4.35Å; G94-E98 PolarHBondContact O-N 3.41Å; E98-A102 VanDerWaalsContact O-CB 3.26Å; E98-A102 WeakPolarHBondContact O-CB 3.41Å; E98-A102 PolarHBondContact O-N 2.95Å
99	R	83	Confident	77.9	Confident	164 Å²	164	68.9 Å²	68.9	62%	0.619	37%	0.374	S	S	*	.	H	α-helix	trans	-66	-40.6	177.8	-79.3	175.4	171	-171.2	-5.6	111.9	R95 M96 I97 A102 A103	R95-R99 WeakPolarHBondContact O-CB 3.17Å; R95-R99 VanDerWaalsContact O-CG 3.29Å; R95-R99 WeakPolarHBondContact O-CG 3.22Å; R95-R99 PolarHBondContact O-N 2.83Å; R95-R99 VanDerWaalsContact O-N 3.11Å; M96-R99 PolarHBondContact O-N 3.2Å; I97-R99 VanDerWaalsContact C-N 3.31Å; I97-R99 PolarHBondContact O-N 3.43Å; R99-A102 PolarHBondContact O-N 3.22Å; R99-A103 WeakPolarHBondContact O-CB 3.4Å; R99-A103 PolarHBondContact O-N 3.37Å
100	S	76.2	Confident	76.6	Confident	63 Å²	63	75.1 Å²	75.1	44%	0.441	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-48.9	176.2	-169.8	0	0	0	0	111	M96 I97 A102 A103 Q104	M96-S100 WeakPolarHBondContact O-CB 3.35Å; M96-S100 PolarHBondContact O-N 3.47Å; I97-S100 WeakPolarHBondContact O-CB 3.25Å; I97-S100 PolarHBondContact O-N 2.98Å; S100-A102 VanDerWaalsContact C-N 3.32Å; S100-A102 PolarHBondContact O-N 2.91Å; S100-A103 WeakPolarHBondContact O-CB 3.48Å; S100-A103 PolarHBondContact O-N 3.18Å; S100-A103 VanDerWaalsContact O-N 3.11Å; S100-Q104 WeakPolarHBondContact O-CG 3.19Å; S100-Q104 PolarHBondContact O-N 3.48Å
101	L	78.4	Confident	74.7	Confident	55 Å²	55	78.9 Å²	78.9	29%	0.288	41%	0.407	S	S	.	.	H	α-helix	trans	-61.2	-39.3	176.9	-70.9	169.1	0	0	0	112.3	Y84 I97 Q104 K105	Y84-L101 HydrophobicContact CD2-CD1 4.4Å; Y84-L101 HydrophobicContact CE2-CD1 3.6Å; I97-L101 HydrophobicContact CG2-CD1 3.77Å; I97-L101 HydrophobicContact CG2-CG 4.37Å; I97-L101 WeakPolarHBondContact O-CG 2.98Å; I97-L101 PolarHBondContact O-N 3.41Å; L101-Q104 PolarHBondContact O-N 3.35Å; L101-K105 WeakPolarHBondContact O-CB 3.43Å; L101-K105 PolarHBondContact O-N 2.91Å
102	A	76.1	Confident	72.9	Confident	63 Å²	63	84.1 Å²	84.1	52%	0.521	43%	0.432	S	S	.	.	H	α-helix	trans	-66.7	-38	175.3	0	0	0	0	0	112.1	E98 R99 S100 G106	E98-A102 VanDerWaalsContact O-CB 3.26Å; E98-A102 WeakPolarHBondContact O-CB 3.41Å; E98-A102 PolarHBondContact O-N 2.95Å; R99-A102 PolarHBondContact O-N 3.22Å; S100-A102 VanDerWaalsContact C-N 3.32Å; S100-A102 PolarHBondContact O-N 2.91Å; A102-G106 PolarHBondContact O-N 3.45Å
103	A	70.9	Confident	71.4	Confident	66 Å²	66	88 Å²	88	55%	0.545	44%	0.442	S	S	.	.	H	α-helix	trans	-66.2	-43.3	175	0	0	0	0	0	111.5	R99 S100 G106 A107	R99-A103 WeakPolarHBondContact O-CB 3.4Å; R99-A103 PolarHBondContact O-N 3.37Å; S100-A103 WeakPolarHBondContact O-CB 3.48Å; S100-A103 PolarHBondContact O-N 3.18Å; S100-A103 VanDerWaalsContact O-N 3.11Å; A103-G106 PolarHBondContact O-N 3.05Å; A103-A107 WeakPolarHBondContact O-CB 3.06Å; A103-A107 PolarHBondContact O-N 2.91Å
104	Q	66.4	Low	69.5	Low	91 Å²	91	85.1 Å²	85.1	43%	0.425	43%	0.43	S	S	.	.	H	α-helix	trans	-60.8	-49.3	174.2	-73.9	179.1	-12.7	0	0	111.6	S100 L101 G106 A107 L108	S100-Q104 WeakPolarHBondContact O-CG 3.19Å; S100-Q104 PolarHBondContact O-N 3.48Å; L101-Q104 PolarHBondContact O-N 3.35Å; Q104-G106 VanDerWaalsContact C-N 3.32Å; Q104-G106 PolarHBondContact O-N 3.45Å; Q104-A107 PolarHBondContact O-N 3.4Å; Q104-L108 WeakPolarHBondContact O-CB 3.42Å; Q104-L108 PolarHBondContact O-N 2.92Å
105	K	69.7	Low	67.3	Low	165 Å²	165	89.4 Å²	89.4	72%	0.717	46%	0.458	S	S	*	.	H	α-helix	trans	-61	-39.7	175	-84.6	-175.3	175.7	177.7	0	112.3	L101 A107 L108 H109	L101-K105 WeakPolarHBondContact O-CB 3.43Å; L101-K105 PolarHBondContact O-N 2.91Å; K105-A107 VanDerWaalsContact C-N 3.34Å; K105-L108 PolarHBondContact O-N 3.02Å; K105-H109 VanDerWaalsContact O-CB 3.25Å; K105-H109 WeakPolarHBondContact O-CB 3.41Å; K105-H109 PolarHBondContact O-N 2.77Å
106	G	67.1	Low	65.2	Low	38 Å²	38	92.8 Å²	92.8	39%	0.392	47%	0.471	S	S	.	.	H	α-helix	trans	-63.2	-39.5	176.5	0	0	0	0	0	112.7	A102 A103 Q104 K110	A102-G106 PolarHBondContact O-N 3.45Å; A103-G106 PolarHBondContact O-N 3.05Å; Q104-G106 VanDerWaalsContact C-N 3.32Å; Q104-G106 PolarHBondContact O-N 3.45Å; G106-K110 WeakPolarHBondContact O-CB 3.5Å; G106-K110 PolarHBondContact O-N 3.19Å; G106-K110 VanDerWaalsContact O-N 3.08Å
107	A	58.6	Low	63.4	Low	57 Å²	57	92.7 Å²	92.7	47%	0.471	47%	0.466	S	S	.	.	H	α-helix	trans	-69.1	-42.4	174.8	0	0	0	0	0	111.9	A103 Q104 K105 K110 R111	A103-A107 WeakPolarHBondContact O-CB 3.06Å; A103-A107 PolarHBondContact O-N 2.91Å; Q104-A107 PolarHBondContact O-N 3.4Å; K105-A107 VanDerWaalsContact C-N 3.34Å; A107-K110 PolarHBondContact O-N 2.87Å; A107-R111 PolarHBondContact O-N 2.59Å
108	L	55.5	Low	61.6	Low	106 Å²	106	97.3 Å²	97.3	56%	0.555	49%	0.487	S	S	*	.	H	α-helix	trans	-64.8	-45.3	177.6	-141.8	102.8	0	0	0	111.4	Q104 K105 K110 R111 E112	Q104-L108 WeakPolarHBondContact O-CB 3.42Å; Q104-L108 PolarHBondContact O-N 2.92Å; K105-L108 PolarHBondContact O-N 3.02Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 2.6Å; L108-R111 CarbonylContact O-C 3.54Å; L108-R111 WeakPolarHBondContact O-CB 3.49Å; L108-R111 PolarHBondContact O-N 2.95Å; L108-R111 VanDerWaalsContact O-N 3.07Å; L108-E112 PolarHBondContact O-N 3.41Å
109	H	59.5	Low	59.6	Low	99 Å²	99	98 Å²	98	46%	0.458	49%	0.494	S	S	.	.	H	α-helix	trans	-70.8	-27.8	-179.3	-146.4	53.6	0	0	0	112.5	K105 E112 K113	K105-H109 VanDerWaalsContact O-CB 3.25Å; K105-H109 WeakPolarHBondContact O-CB 3.41Å; K105-H109 PolarHBondContact O-N 2.77Å; H109-E112 IonicContact ND1-OE2 3.63Å; H109-K113 WeakPolarHBondContact NE2-CE 3.32Å; H109-K113 PolarHBondContact NE2-NZ 2.87Å; H109-K113 WeakPolarHBondContact O-CB 3.4Å; H109-K113 PolarHBondContact O-N 2.86Å
110	K	59.5	Low	57.6	Low	166 Å²	166	98.5 Å²	98.5	72%	0.722	50%	0.501	S	S	*	.	H	α-helix	trans	-67.3	-40.4	167.1	-87.7	-175.9	175.2	-177	0	111.6	G106 A107 L108 D114	G106-K110 WeakPolarHBondContact O-CB 3.5Å; G106-K110 PolarHBondContact O-N 3.19Å; G106-K110 VanDerWaalsContact O-N 3.08Å; A107-K110 PolarHBondContact O-N 2.87Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 2.6Å; K110-D114 WeakPolarHBondContact O-CB 3.27Å; K110-D114 PolarHBondContact O-N 3.38Å
111	R	52.4	Low	55.8	Low	151 Å²	151	100.7 Å²	100.7	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-68.5	-42.5	175.5	-81.2	-177.4	171.1	177.3	-1.3	112.9	A107 L108 K113 D114 Y117	A107-R111 PolarHBondContact O-N 2.59Å; L108-R111 CarbonylContact O-C 3.54Å; L108-R111 WeakPolarHBondContact O-CB 3.49Å; L108-R111 PolarHBondContact O-N 2.95Å; L108-R111 VanDerWaalsContact O-N 3.07Å; R111-K113 VanDerWaalsContact C-N 3.29Å; R111-K113 PolarHBondContact O-N 3.38Å; R111-D114 PolarHBondContact O-N 2.82Å; R111-Y117 HydrophobicContact CB-CD2 4.26Å; R111-Y117 HydrophobicContact CG-CD2 4.17Å; R111-Y117 HydrophobicContact CG-CE2 3.98Å
112	E	51.5	Low	54.1	Low	110 Å²	110	102.2 Å²	102.2	51%	0.514	55%	0.552	S	S	.	*	H	α-helix	trans	-69.5	-20.8	178.9	-81	-176.9	157.9	0	0	114.1	L108 H109 H118	L108-E112 PolarHBondContact O-N 3.41Å; H109-E112 IonicContact ND1-OE2 3.63Å; E112-H118 PolarHBondContact O-CE1 2.82Å; E112-H118 PolarHBondContact O-NE2 3.47Å
113	K	53.3	Low	52.6	Low	149 Å²	149	102.3 Å²	102.3	65%	0.648	55%	0.548	S	S	*	.	H	α-helix	trans	-102.3	-8.4	177.2	-74.1	-173.3	174.9	175.8	0	113.9	H109 R111 P115	H109-K113 WeakPolarHBondContact NE2-CE 3.32Å; H109-K113 PolarHBondContact NE2-NZ 2.87Å; H109-K113 WeakPolarHBondContact O-CB 3.4Å; H109-K113 PolarHBondContact O-N 2.86Å; R111-K113 VanDerWaalsContact C-N 3.29Å; R111-K113 PolarHBondContact O-N 3.38Å; K113-P115 WeakPolarHBondContact O-CD 3.31Å
114	D	46.5	Very low	51.1	Low	30 Å²	30	103.2 Å²	103.2	16%	0.16	55%	0.549	C	S	.	.			trans	-86.8	112.8	-179.5	-178.6	-10.9	0	0	0	108.7	K110 R111 R116 Y117 H118	K110-D114 WeakPolarHBondContact O-CB 3.27Å; K110-D114 PolarHBondContact O-N 3.38Å; R111-D114 PolarHBondContact O-N 2.82Å; D114-R116 VanDerWaalsContact CG-NE 3.35Å; D114-R116 PolarHBondContact O-N 3.28Å; D114-R116 VanDerWaalsContact OD1-CB 3.24Å; D114-R116 WeakPolarHBondContact OD1-CB 3.43Å; D114-R116 VanDerWaalsContact OD1-CG 3.25Å; D114-R116 WeakPolarHBondContact OD1-CG 3.13Å; D114-R116 IonicContact OD1-CZ 3.63Å; D114-R116 PolarHBondContact OD1-N 3.46Å; D114-R116 VanDerWaalsContact OD1-N 3.13Å; D114-R116 IonicContact OD1-NE 3.84Å; D114-R116 PolarHBondContact OD1-NE 3.13Å; D114-R116 IonicContact OD1-NH2 2.69Å; D114-R116 IonicContact OD2-CZ 2.82Å; D114-R116 VanDerWaalsContact OD2-CZ 3.24Å; D114-R116 IonicContact OD2-NE 3.41Å; D114-R116 PolarHBondContact OD2-NE 3.38Å; D114-R116 IonicContact OD2-NH2 2.83Å; D114-R116 PolarHBondContact OD2-NH2 3.2Å; D114-Y117 HydrophobicContact CB-CD2 3.75Å; D114-Y117 HydrophobicContact CB-CE2 3.96Å; D114-Y117 PolarHBondContact O-N 2.8Å; D114-Y117 WeakPolarHBondContact OD2-CE2 3.34Å; D114-H118 PolarHBondContact O-CD2 2.72Å
115	P	43.7	Very low	50	Low	89 Å²	89	100.7 Å²	100.7	58%	0.578	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-53.1	-25.8	-177.9	-23.7	33.4	0	0	0	113	K113 Y117 H118	K113-P115 WeakPolarHBondContact O-CD 3.31Å; P115-Y117 PolarHBondContact O-N 3.37Å; P115-Y117 VanDerWaalsContact O-N 3.09Å; P115-H118 PolarHBondContact O-N 2.7Å
116	R	46.8	Very low	48.8	Very low	128 Å²	128	97.3 Å²	97.3	48%	0.483	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-64	-13	179.8	-60.2	178.4	-67.9	177.5	0.8	114.4	D114	D114-R116 VanDerWaalsContact CG-NE 3.35Å; D114-R116 PolarHBondContact O-N 3.28Å; D114-R116 VanDerWaalsContact OD1-CB 3.24Å; D114-R116 WeakPolarHBondContact OD1-CB 3.43Å; D114-R116 VanDerWaalsContact OD1-CG 3.25Å; D114-R116 WeakPolarHBondContact OD1-CG 3.13Å; D114-R116 IonicContact OD1-CZ 3.63Å; D114-R116 PolarHBondContact OD1-N 3.46Å; D114-R116 VanDerWaalsContact OD1-N 3.13Å; D114-R116 IonicContact OD1-NE 3.84Å; D114-R116 PolarHBondContact OD1-NE 3.13Å; D114-R116 IonicContact OD1-NH2 2.69Å; D114-R116 IonicContact OD2-CZ 2.82Å; D114-R116 VanDerWaalsContact OD2-CZ 3.24Å; D114-R116 IonicContact OD2-NE 3.41Å; D114-R116 PolarHBondContact OD2-NE 3.38Å; D114-R116 IonicContact OD2-NH2 2.83Å; D114-R116 PolarHBondContact OD2-NH2 3.2Å
117	Y	45.9	Very low	47.9	Very low	89 Å²	89	101.2 Å²	101.2	35%	0.349	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-107.8	1.4	176.5	-57.9	-73.6	0	0	0	113.6	R111 D114 P115	R111-Y117 HydrophobicContact CB-CD2 4.26Å; R111-Y117 HydrophobicContact CG-CD2 4.17Å; R111-Y117 HydrophobicContact CG-CE2 3.98Å; D114-Y117 HydrophobicContact CB-CD2 3.75Å; D114-Y117 HydrophobicContact CB-CE2 3.96Å; D114-Y117 PolarHBondContact O-N 2.8Å; D114-Y117 WeakPolarHBondContact OD2-CE2 3.34Å; P115-Y117 PolarHBondContact O-N 3.37Å; P115-Y117 VanDerWaalsContact O-N 3.09Å
118	H	46.6	Very low	47.2	Very low	119 Å²	119	99.2 Å²	99.2	55%	0.551	54%	0.535	S	S	*	.			trans	-103.5	74.9	179	-69.2	-71.5	0	0	0	111.3	E112 D114 P115	E112-H118 PolarHBondContact O-CE1 2.82Å; E112-H118 PolarHBondContact O-NE2 3.47Å; D114-H118 PolarHBondContact O-CD2 2.72Å; P115-H118 PolarHBondContact O-N 2.7Å
119	T	43.2	Very low	46.7	Very low	59 Å²	59	99 Å²	99	36%	0.362	54%	0.538	S	S	.	.			trans	-134.1	131.6	164.4	52.5	0	0	0	0	109.3	A121 P125	T119-A121 PolarHBondContact O-N 2.62Å; T119-P125 HydrophobicContact CG2-CB 3.88Å; T119-P125 HydrophobicContact CG2-CG 3.96Å
120	K	40.9	Very low	46.4	Very low	175 Å²	175	98.6 Å²	98.6	76%	0.761	54%	0.539	S	S	*	.			trans	-51.9	134.5	165.3	-90.3	-179.6	173.1	178.8	0	108.3	G122 S123	K120-G122 PolarHBondContact O-N 2.74Å; K120-S123 PolarHBondContact O-N 3.41Å; K120-S123 VanDerWaalsContact O-N 3.13Å
121	A	39	Very low	45.9	Very low	109 Å²	109	92.1 Å²	92.1	90%	0.901	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	126.8	168.5	0	0	0	0	0	109.2	T119	T119-A121 PolarHBondContact O-N 2.62Å
122	G	44	Very low	45.5	Very low	88 Å²	88	87.8 Å²	87.8	91%	0.907	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	3.5	178.8	0	0	0	0	0	116.6	K120	K120-G122 PolarHBondContact O-N 2.74Å
123	S	42.8	Very low	45.7	Very low	64 Å²	64	88 Å²	88	45%	0.448	52%	0.515	S	S	.	.			trans	-116	131.7	172.1	-56.4	0	0	0	0	110.7	K120	K120-S123 PolarHBondContact O-N 3.41Å; K120-S123 VanDerWaalsContact O-N 3.13Å
124	P	39.6	Very low	45.7	Very low	86 Å²	86	86.5 Å²	86.5	56%	0.558	51%	0.505	S	S	*	.			trans	-61.5	145	170.8	26.6	-31.9	0	0	0	109.4	A128	P124-A128 HydrophobicContact CB-CB 3.65Å
125	P	43.9	Very low	45.9	Very low	37 Å²	37	86.9 Å²	86.9	24%	0.24	51%	0.507	C	S	.	.			trans	-52.2	147.9	169	-9	11.5	0	0	0	109.7	T119 E127 A128 W172	T119-P125 HydrophobicContact CG2-CB 3.88Å; T119-P125 HydrophobicContact CG2-CG 3.96Å; P125-E127 HydrophobicContact CB-CB 4.47Å; P125-E127 PolarHBondContact O-N 3.47Å; P125-A128 HydrophobicContact CG-CB 4.41Å; P125-A128 WeakPolarHBondContact O-CA 3.23Å; P125-A128 WeakPolarHBondContact O-CB 3.38Å; P125-A128 PolarHBondContact O-N 2.92Å; P125-W172 HydrophobicContact CG-CZ2 4.04Å
126	A	45.4	Very low	46.5	Very low	94 Å²	94	83.9 Å²	83.9	78%	0.777	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.3	175.8	0	0	0	0	0	112.6	A128 T129	A126-A128 VanDerWaalsContact C-N 3.26Å; A126-A128 PolarHBondContact O-N 3.11Å; A126-T129 PolarHBondContact O-OG1 3.47Å; A126-T129 VanDerWaalsContact O-OG1 3.09Å
127	E	47.8	Very low	47.2	Very low	120 Å²	120	83.6 Å²	83.6	56%	0.561	50%	0.496	S	S	*	.	H	α-helix	trans	-70.4	-17.5	172.7	-61.3	165.5	-174.5	0	0	112.7	P125 T129 D130 V131	P125-E127 HydrophobicContact CB-CB 4.47Å; P125-E127 PolarHBondContact O-N 3.47Å; E127-T129 PolarHBondContact O-N 3.41Å; E127-D130 WeakPolarHBondContact O-CB 3.25Å; E127-D130 PolarHBondContact O-N 2.85Å; E127-D130 VanDerWaalsContact O-N 3.17Å; E127-V131 WeakPolarHBondContact O-CG2 3.27Å; E127-V131 PolarHBondContact O-N 2.69Å
128	A	43.8	Very low	47.5	Very low	16 Å²	16	79.7 Å²	79.7	13%	0.132	48%	0.481	C	S	.	.	H	α-helix	trans	-73.7	-26.9	-175	0	0	0	0	0	114	P124 P125 A126 D130 V131 A132 W172	P124-A128 HydrophobicContact CB-CB 3.65Å; P125-A128 HydrophobicContact CG-CB 4.41Å; P125-A128 WeakPolarHBondContact O-CA 3.23Å; P125-A128 WeakPolarHBondContact O-CB 3.38Å; P125-A128 PolarHBondContact O-N 2.92Å; A126-A128 VanDerWaalsContact C-N 3.26Å; A126-A128 PolarHBondContact O-N 3.11Å; A128-D130 VanDerWaalsContact C-N 3.3Å; A128-V131 PolarHBondContact O-N 2.66Å; A128-A132 WeakPolarHBondContact O-CB 2.81Å; A128-A132 PolarHBondContact O-N 3.24Å; A128-W172 HydrophobicContact CB-CH2 4.08Å
129	T	43.8	Very low	47.8	Very low	100 Å²	100	77.6 Å²	77.6	61%	0.613	47%	0.473	S	S	*	.	H	α-helix	trans	-63.3	-40.9	168.3	13.9	0	0	0	0	110.5	A126 E127 A132 D133	A126-T129 PolarHBondContact O-OG1 3.47Å; A126-T129 VanDerWaalsContact O-OG1 3.09Å; E127-T129 PolarHBondContact O-N 3.41Å; T129-A132 PolarHBondContact O-N 2.71Å; T129-D133 PolarHBondContact O-N 3.05Å
130	D	54.1	Low	48.6	Very low	91 Å²	91	79.6 Å²	79.6	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-70.2	-33	176.4	-165.5	36.5	0	0	0	111.8	E127 A128 R134	E127-D130 WeakPolarHBondContact O-CB 3.25Å; E127-D130 PolarHBondContact O-N 2.85Å; E127-D130 VanDerWaalsContact O-N 3.17Å; A128-D130 VanDerWaalsContact C-N 3.3Å; D130-R134 WeakPolarHBondContact O-CB 3.05Å; D130-R134 VanDerWaalsContact O-CG 3.24Å; D130-R134 WeakPolarHBondContact O-CG 3.29Å; D130-R134 PolarHBondContact O-N 3.48Å
131	V	48.1	Very low	49.3	Very low	30 Å²	30	77.8 Å²	77.8	18%	0.182	47%	0.47	C	S	.	.	H	α-helix	trans	-70.4	-37.7	173.2	175.6	0	0	0	0	111.7	E127 A128 R134 L135 W166 W172	E127-V131 WeakPolarHBondContact O-CG2 3.27Å; E127-V131 PolarHBondContact O-N 2.69Å; A128-V131 PolarHBondContact O-N 2.66Å; V131-R134 PolarHBondContact O-N 3.26Å; V131-L135 WeakPolarHBondContact O-CB 3.06Å; V131-L135 PolarHBondContact O-N 3.02Å; V131-W166 HydrophobicContact CG1-CE3 4.14Å; V131-W166 HydrophobicContact CG1-CZ3 4.13Å; V131-W172 HydrophobicContact CB-CH2 4.39Å; V131-W172 HydrophobicContact CG1-CH2 4.33Å; V131-W172 HydrophobicContact CG2-CH2 4.34Å; V131-W172 HydrophobicContact CG2-CZ2 4.49Å
132	A	45.4	Very low	49.8	Very low	60 Å²	60	76.3 Å²	76.3	50%	0.496	45%	0.447	S	S	.	.	H	α-helix	trans	-65.9	-44	175.9	0	0	0	0	0	111.3	A128 T129 L135 G136	A128-A132 WeakPolarHBondContact O-CB 2.81Å; A128-A132 PolarHBondContact O-N 3.24Å; T129-A132 PolarHBondContact O-N 2.71Å; A132-L135 PolarHBondContact O-N 3.3Å; A132-G136 PolarHBondContact O-N 2.92Å
133	D	54.6	Low	50.2	Low	115 Å²	115	75.5 Å²	75.5	62%	0.615	43%	0.431	S	S	*	.	H	α-helix	trans	-64.3	-42.1	175.1	-69.4	-19.5	0	0	0	111.2	T129 G136 E137	T129-D133 PolarHBondContact O-N 3.05Å; D133-G136 CarbonylContact O-C 3.56Å; D133-G136 WeakPolarHBondContact O-CA 3.18Å; D133-G136 PolarHBondContact O-N 2.93Å; D133-E137 PolarHBondContact O-N 3.46Å
134	R	53.8	Low	50.9	Low	118 Å²	118	79.5 Å²	79.5	45%	0.445	45%	0.447	S	S	.	.	H	α-helix	trans	-65.6	-36.3	173.1	-81.3	176.4	160.6	-160.3	-5.1	113.4	D130 V131 G136 E137 V138 W166	D130-R134 WeakPolarHBondContact O-CB 3.05Å; D130-R134 VanDerWaalsContact O-CG 3.24Å; D130-R134 WeakPolarHBondContact O-CG 3.29Å; D130-R134 PolarHBondContact O-N 3.48Å; V131-R134 PolarHBondContact O-N 3.26Å; R134-G136 VanDerWaalsContact C-N 3.27Å; R134-E137 PolarHBondContact O-N 3.35Å; R134-V138 VanDerWaalsContact O-CG2 3.24Å; R134-V138 WeakPolarHBondContact O-CG2 3.47Å; R134-V138 PolarHBondContact O-N 2.86Å; R134-W166 HydrophobicContact CB-CH2 4.06Å
135	L	51	Low	51.5	Low	37 Å²	37	79.5 Å²	79.5	19%	0.194	45%	0.446	C	S	.	.	H	α-helix	trans	-65.4	-39	173.6	-160.4	79.2	0	0	0	109.3	V131 A132 V138 I139 I163 W166	V131-L135 WeakPolarHBondContact O-CB 3.06Å; V131-L135 PolarHBondContact O-N 3.02Å; A132-L135 PolarHBondContact O-N 3.3Å; L135-V138 PolarHBondContact O-N 3.11Å; L135-I139 HydrophobicContact CD2-CD1 4.35Å; L135-I139 HydrophobicContact CG-CD1 4.11Å; L135-I139 WeakPolarHBondContact O-CB 3.3Å; L135-I139 WeakPolarHBondContact O-CD1 3.36Å; L135-I139 WeakPolarHBondContact O-CG1 2.76Å; L135-I139 PolarHBondContact O-N 3.35Å; L135-I163 HydrophobicContact CD1-CD1 4.26Å; L135-W166 HydrophobicContact CD1-CZ3 4.44Å
136	G	55.8	Low	51.2	Low	26 Å²	26	79.9 Å²	79.9	27%	0.268	46%	0.457	S	S	.	.	H	α-helix	trans	-54.2	-53.5	167.6	0	0	0	0	0	112.1	A132 D133 R134 V138 I139 D140	A132-G136 PolarHBondContact O-N 2.92Å; D133-G136 CarbonylContact O-C 3.56Å; D133-G136 WeakPolarHBondContact O-CA 3.18Å; D133-G136 PolarHBondContact O-N 2.93Å; R134-G136 VanDerWaalsContact C-N 3.27Å; G136-V138 VanDerWaalsContact C-N 3.31Å; G136-V138 PolarHBondContact O-N 3.34Å; G136-I139 PolarHBondContact O-N 3.41Å; G136-I139 VanDerWaalsContact O-N 3.17Å; G136-D140 WeakPolarHBondContact O-CB 3.49Å; G136-D140 VanDerWaalsContact O-CG 3.3Å; G136-D140 PolarHBondContact O-N 2.97Å
137	E	61.1	Low	50.7	Low	123 Å²	123	86.6 Å²	86.6	58%	0.575	46%	0.464	S	S	*	.	H	α-helix	trans	-62.9	-32.2	177.5	-74.5	-172.5	161.6	0	0	113.8	D133 R134 R141	D133-E137 PolarHBondContact O-N 3.46Å; R134-E137 PolarHBondContact O-N 3.35Å; E137-R141 WeakPolarHBondContact O-CB 3.47Å; E137-R141 WeakPolarHBondContact O-CG 3.46Å; E137-R141 PolarHBondContact O-N 3.44Å; E137-R141 PolarHBondContact O-NE 2.99Å
138	V	53.3	Low	50.1	Low	6 Å²	6	88 Å²	88	4%	0.036	47%	0.468	C	S	.	.	H	α-helix	trans	-70.7	-44.3	174.2	171.5	0	0	0	0	110.2	R134 L135 G136 R141 I142 A159 W166	R134-V138 VanDerWaalsContact O-CG2 3.24Å; R134-V138 WeakPolarHBondContact O-CG2 3.47Å; R134-V138 PolarHBondContact O-N 2.86Å; L135-V138 PolarHBondContact O-N 3.11Å; G136-V138 VanDerWaalsContact C-N 3.31Å; G136-V138 PolarHBondContact O-N 3.34Å; V138-R141 VanDerWaalsContact CG2-NH2 3.28Å; V138-R141 PolarHBondContact O-N 2.8Å; V138-I142 HydrophobicContact CG1-CD1 4.02Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.37Å; V138-I142 PolarHBondContact O-N 2.71Å; V138-A159 HydrophobicContact CG1-CB 3.95Å; V138-W166 HydrophobicContact CG2-CH2 4.27Å
139	I	51.6	Low	49.9	Very low	75 Å²	75	94.6 Å²	94.6	39%	0.385	50%	0.5	S	S	.	.	H	α-helix	trans	-63.8	-44.1	176.5	-70.1	166.1	0	0	0	110.5	L135 G136 R141 I142 A143	L135-I139 HydrophobicContact CD2-CD1 4.35Å; L135-I139 HydrophobicContact CG-CD1 4.11Å; L135-I139 WeakPolarHBondContact O-CB 3.3Å; L135-I139 WeakPolarHBondContact O-CD1 3.36Å; L135-I139 WeakPolarHBondContact O-CG1 2.76Å; L135-I139 PolarHBondContact O-N 3.35Å; G136-I139 PolarHBondContact O-N 3.41Å; G136-I139 VanDerWaalsContact O-N 3.17Å; I139-R141 PolarHBondContact O-N 2.88Å; I139-I142 CarbonylContact O-C 3.6Å; I139-I142 WeakPolarHBondContact O-CA 3.13Å; I139-I142 WeakPolarHBondContact O-CB 3.28Å; I139-I142 PolarHBondContact O-N 3.27Å; I139-I142 VanDerWaalsContact O-N 3.09Å; I139-A143 WeakPolarHBondContact O-CB 3.31Å; I139-A143 PolarHBondContact O-N 3.12Å
140	D	60.7	Low	49.8	Very low	101 Å²	101	97 Å²	97	54%	0.54	51%	0.509	S	S	.	.	H	α-helix	trans	-63.1	-41.2	177.4	-73.1	-18.4	0	0	0	111.3	G136 I142 A143 D144	G136-D140 WeakPolarHBondContact O-CB 3.49Å; G136-D140 VanDerWaalsContact O-CG 3.3Å; G136-D140 PolarHBondContact O-N 2.97Å; D140-I142 VanDerWaalsContact C-N 3.3Å; D140-I142 PolarHBondContact O-N 3.21Å; D140-A143 PolarHBondContact O-N 2.91Å; D140-D144 WeakPolarHBondContact O-CB 3.5Å; D140-D144 PolarHBondContact O-N 3.28Å
141	R	56.3	Low	49.4	Very low	137 Å²	137	99.8 Å²	99.8	52%	0.517	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-34.3	172.6	-81.9	-177.3	-65.8	172.4	2.8	112.8	E137 V138 I139 T145	E137-R141 WeakPolarHBondContact O-CB 3.47Å; E137-R141 WeakPolarHBondContact O-CG 3.46Å; E137-R141 PolarHBondContact O-N 3.44Å; E137-R141 PolarHBondContact O-NE 2.99Å; V138-R141 VanDerWaalsContact CG2-NH2 3.28Å; V138-R141 PolarHBondContact O-N 2.8Å; I139-R141 PolarHBondContact O-N 2.88Å; R141-T145 WeakPolarHBondContact O-CG2 3.5Å
142	I	49.4	Very low	49.2	Very low	79 Å²	79	100 Å²	100	41%	0.405	53%	0.527	S	S	.	.	H	α-helix	trans	-70.4	-42.4	174.6	-69	166.3	0	0	0	109.8	V138 I139 D140 D144 T145 A159	V138-I142 HydrophobicContact CG1-CD1 4.02Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.37Å; V138-I142 PolarHBondContact O-N 2.71Å; I139-I142 CarbonylContact O-C 3.6Å; I139-I142 WeakPolarHBondContact O-CA 3.13Å; I139-I142 WeakPolarHBondContact O-CB 3.28Å; I139-I142 PolarHBondContact O-N 3.27Å; I139-I142 VanDerWaalsContact O-N 3.09Å; D140-I142 VanDerWaalsContact C-N 3.3Å; D140-I142 PolarHBondContact O-N 3.21Å; I142-D144 PolarHBondContact O-N 3.21Å; I142-T145 PolarHBondContact O-N 3.28Å; I142-T145 PolarHBondContact O-OG1 3.13Å; I142-A159 HydrophobicContact CD1-CB 4.47Å
143	A	52	Low	49.3	Very low	70 Å²	70	101.1 Å²	101.1	58%	0.579	53%	0.528	S	S	*	.	H	α-helix	trans	-62.8	-41	177.8	0	0	0	0	0	112.5	I139 D140 T145 G146	I139-A143 WeakPolarHBondContact O-CB 3.31Å; I139-A143 PolarHBondContact O-N 3.12Å; D140-A143 PolarHBondContact O-N 2.91Å; A143-T145 PolarHBondContact O-N 3.07Å; A143-G146 PolarHBondContact O-N 2.93Å
144	D	56.5	Low	49.3	Very low	148 Å²	148	99.1 Å²	99.1	79%	0.791	53%	0.527	S	S	*	.	H	α-helix	trans	-67	-18.6	178.3	-92.5	-8	0	0	0	113.5	D140 I142 G146	D140-D144 WeakPolarHBondContact O-CB 3.5Å; D140-D144 PolarHBondContact O-N 3.28Å; I142-D144 PolarHBondContact O-N 3.21Å; D144-G146 PolarHBondContact O-N 3.35Å
145	T	52.6	Low	49.1	Very low	86 Å²	86	95.7 Å²	95.7	53%	0.528	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	7.5	179.9	56.3	0	0	0	0	115.4	R141 I142 A143	R141-T145 WeakPolarHBondContact O-CG2 3.5Å; I142-T145 PolarHBondContact O-N 3.28Å; I142-T145 PolarHBondContact O-OG1 3.13Å; A143-T145 PolarHBondContact O-N 3.07Å
146	G	37.2	Very low	48.9	Very low	46 Å²	46	97.6 Å²	97.6	47%	0.474	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	36.5	93	152.8	0	0	0	0	0	116.6	A143 D144 K148	A143-G146 PolarHBondContact O-N 2.93Å; D144-G146 PolarHBondContact O-N 3.35Å; G146-K148 PolarHBondContact O-N 3.23Å; G146-K148 VanDerWaalsContact O-N 3.12Å
147	Y	35.3	Very low	48.9	Very low	234 Å²	234	100.4 Å²	100.4	92%	0.918	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	15	147.4	-102.7	-89.4	0	0	0	120.2
148	K	36.2	Very low	48.8	Very low	150 Å²	150	97.2 Å²	97.2	65%	0.652	53%	0.533	S	S	*	.			trans	-112.6	90.6	173.5	-69.7	-172.3	179.8	177	0	113	G146 N150 Q151	G146-K148 PolarHBondContact O-N 3.23Å; G146-K148 VanDerWaalsContact O-N 3.12Å; K148-N150 PolarHBondContact O-N 3.34Å; K148-Q151 PolarHBondContact O-N 3.47Å
149	I	38.3	Very low	48.8	Very low	155 Å²	155	97.6 Å²	97.6	80%	0.795	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-15.2	-175.3	-69.6	168.5	0	0	0	116.2
150	N	42.3	Very low	48.8	Very low	150 Å²	150	96.4 Å²	96.4	80%	0.802	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-7.2	178.2	-71.3	-24.1	0	0	0	115.2	K148	K148-N150 PolarHBondContact O-N 3.34Å
151	Q	45.9	Very low	48.8	Very low	149 Å²	149	98.5 Å²	98.5	70%	0.696	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-19	176.6	-71.6	-176	-10.9	0	0	112.7	K148 T153 A154	K148-Q151 PolarHBondContact O-N 3.47Å; Q151-T153 VanDerWaalsContact C-N 3.29Å; Q151-T153 PolarHBondContact O-N 2.9Å; Q151-A154 PolarHBondContact O-N 2.97Å
152	G	43.9	Very low	49	Very low	34 Å²	34	95.4 Å²	95.4	35%	0.351	53%	0.527	S	S	.	.	H	α-helix	trans	-60.8	-31.9	179.7	0	0	0	0	0	114	A154 A155 Y156	G152-A154 VanDerWaalsContact C-N 3.32Å; G152-A154 PolarHBondContact O-N 2.91Å; G152-A155 PolarHBondContact O-N 3.25Å; G152-Y156 WeakPolarHBondContact O-CB 3.3Å; G152-Y156 PolarHBondContact O-N 3.16Å
153	T	48	Very low	49.1	Very low	84 Å²	84	93.4 Å²	93.4	52%	0.515	52%	0.517	S	S	.	.	H	α-helix	trans	-64.4	-33.7	-176.6	-37.9	0	0	0	0	113.1	Q151 N157	Q151-T153 VanDerWaalsContact C-N 3.29Å; Q151-T153 PolarHBondContact O-N 2.9Å; T153-N157 VanDerWaalsContact O-CB 3.24Å; T153-N157 WeakPolarHBondContact O-CB 3.35Å; T153-N157 PolarHBondContact O-N 3.19Å; T153-N157 PolarHBondContact O-ND2 3.33Å
154	A	53.1	Low	49.3	Very low	73 Å²	73	94.5 Å²	94.5	60%	0.603	51%	0.513	S	S	*	.	H	α-helix	trans	-75.8	-43.8	179.1	0	0	0	0	0	112	Q151 G152 Y156 N157 A158	Q151-A154 PolarHBondContact O-N 2.97Å; G152-A154 VanDerWaalsContact C-N 3.32Å; G152-A154 PolarHBondContact O-N 2.91Å; A154-Y156 VanDerWaalsContact C-N 3.34Å; A154-N157 PolarHBondContact O-N 3.4Å; A154-A158 WeakPolarHBondContact O-CB 3.45Å; A154-A158 PolarHBondContact O-N 2.83Å
155	A	50	Low	49.4	Very low	46 Å²	46	91.6 Å²	91.6	38%	0.38	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-41	175	0	0	0	0	0	111.2	G152 A158 A159	G152-A155 PolarHBondContact O-N 3.25Å; A155-A158 PolarHBondContact O-N 3.27Å; A155-A159 WeakPolarHBondContact O-CB 3.28Å; A155-A159 PolarHBondContact O-N 3.3Å
156	Y	47.8	Very low	49.6	Very low	77 Å²	77	90.9 Å²	90.9	30%	0.302	49%	0.492	S	S	.	.	H	α-helix	trans	-59.8	-50.6	171.9	176.9	-91.6	0	0	0	111.8	G152 A154 A158 A159 Q160	G152-Y156 WeakPolarHBondContact O-CB 3.3Å; G152-Y156 PolarHBondContact O-N 3.16Å; A154-Y156 VanDerWaalsContact C-N 3.34Å; Y156-A158 VanDerWaalsContact C-N 3.27Å; Y156-A158 PolarHBondContact O-N 3.4Å; Y156-A159 PolarHBondContact O-N 2.85Å; Y156-Q160 VanDerWaalsContact O-CB 3.32Å; Y156-Q160 WeakPolarHBondContact O-CB 3.46Å; Y156-Q160 PolarHBondContact O-N 3.09Å
157	N	55.1	Low	50.1	Low	86 Å²	86	90.1 Å²	90.1	46%	0.46	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-33.8	178.7	-75.1	-21.1	0	0	0	112.4	T153 A154 Q161	T153-N157 VanDerWaalsContact O-CB 3.24Å; T153-N157 WeakPolarHBondContact O-CB 3.35Å; T153-N157 PolarHBondContact O-N 3.19Å; T153-N157 PolarHBondContact O-ND2 3.33Å; A154-N157 PolarHBondContact O-N 3.4Å; N157-Q161 WeakPolarHBondContact O-CB 3.38Å; N157-Q161 WeakPolarHBondContact O-CG 3.24Å; N157-Q161 PolarHBondContact O-N 2.89Å
158	A	59.9	Low	51	Low	56 Å²	56	81.5 Å²	81.5	46%	0.463	46%	0.462	S	S	.	.	H	α-helix	trans	-69.3	-44.5	174.4	0	0	0	0	0	111.8	A154 A155 Y156 Q161 E162	A154-A158 WeakPolarHBondContact O-CB 3.45Å; A154-A158 PolarHBondContact O-N 2.83Å; A155-A158 PolarHBondContact O-N 3.27Å; Y156-A158 VanDerWaalsContact C-N 3.27Å; Y156-A158 PolarHBondContact O-N 3.4Å; A158-Q161 PolarHBondContact O-N 3.42Å; A158-E162 WeakPolarHBondContact O-CB 3.44Å; A158-E162 PolarHBondContact O-N 3.04Å
159	A	52.9	Low	51.7	Low	13 Å²	13	74.5 Å²	74.5	11%	0.107	43%	0.432	C	S	.	.	H	α-helix	trans	-64.4	-39.6	174.9	0	0	0	0	0	111.7	V138 I142 A155 Y156 E162 I163	V138-A159 HydrophobicContact CG1-CB 3.95Å; I142-A159 HydrophobicContact CD1-CB 4.47Å; A155-A159 WeakPolarHBondContact O-CB 3.28Å; A155-A159 PolarHBondContact O-N 3.3Å; Y156-A159 PolarHBondContact O-N 2.85Å; A159-E162 WeakPolarHBondContact O-CB 3.45Å; A159-E162 PolarHBondContact O-N 2.98Å; A159-I163 WeakPolarHBondContact O-CG1 3.5Å; A159-I163 PolarHBondContact O-N 2.8Å
160	Q	51.1	Low	52.3	Low	50 Å²	50	71.3 Å²	71.3	23%	0.234	42%	0.421	C	S	.	.	H	α-helix	trans	-66.8	-41.8	175.2	-164.9	65.1	53.8	0	0	111.2	Y156 E162 I163 D164	Y156-Q160 VanDerWaalsContact O-CB 3.32Å; Y156-Q160 WeakPolarHBondContact O-CB 3.46Å; Y156-Q160 PolarHBondContact O-N 3.09Å; Q160-E162 VanDerWaalsContact C-N 3.27Å; Q160-E162 PolarHBondContact O-N 2.91Å; Q160-I163 PolarHBondContact O-N 2.87Å; Q160-D164 PolarHBondContact NE2-OD1 3.06Å; Q160-D164 VanDerWaalsContact NE2-OD1 3.14Å; Q160-D164 WeakPolarHBondContact O-CB 3.19Å; Q160-D164 PolarHBondContact O-N 2.73Å
161	Q	61.5	Low	52.7	Low	146 Å²	146	71.5 Å²	71.5	68%	0.682	41%	0.412	S	S	*	.	H	α-helix	trans	-62.6	-35	171.3	-82.7	-176.9	-3.8	0	0	112.2	N157 A158 S165	N157-Q161 WeakPolarHBondContact O-CB 3.38Å; N157-Q161 WeakPolarHBondContact O-CG 3.24Å; N157-Q161 PolarHBondContact O-N 2.89Å; A158-Q161 PolarHBondContact O-N 3.42Å; Q161-S165 VanDerWaalsContact O-CB 3.22Å; Q161-S165 WeakPolarHBondContact O-CB 3.48Å; Q161-S165 PolarHBondContact O-N 3.37Å
162	E	59.6	Low	52.8	Low	72 Å²	72	66.9 Å²	66.9	34%	0.336	39%	0.388	S	S	.	.	H	α-helix	trans	-66.5	-49.3	175.1	-166.2	175.2	177.3	0	0	110.6	A158 A159 Q160 D164 S165 W166	A158-E162 WeakPolarHBondContact O-CB 3.44Å; A158-E162 PolarHBondContact O-N 3.04Å; A159-E162 WeakPolarHBondContact O-CB 3.45Å; A159-E162 PolarHBondContact O-N 2.98Å; Q160-E162 VanDerWaalsContact C-N 3.27Å; Q160-E162 PolarHBondContact O-N 2.91Å; E162-D164 PolarHBondContact O-N 3.39Å; E162-S165 WeakPolarHBondContact O-CA 3.49Å; E162-S165 WeakPolarHBondContact O-CB 3.23Å; E162-S165 PolarHBondContact O-N 3.29Å; E162-S165 VanDerWaalsContact O-N 3.12Å; E162-S165 PolarHBondContact O-OG 2.86Å; E162-W166 HydrophobicContact CG-CZ2 3.72Å; E162-W166 VanDerWaalsContact O-CG 3.28Å; E162-W166 PolarHBondContact O-N 2.85Å; E162-W166 VanDerWaalsContact O-N 3.08Å; E162-W166 PolarHBondContact O-NE1 3.21Å
163	I	52.5	Low	53.2	Low	36 Å²	36	69.4 Å²	69.4	19%	0.185	39%	0.393	C	S	.	.	H	α-helix	trans	-62.9	-42.8	175.7	-67.6	167.4	0	0	0	111.8	L135 A159 Q160 S165 W166 S167 Y223	L135-I163 HydrophobicContact CD1-CD1 4.26Å; A159-I163 WeakPolarHBondContact O-CG1 3.5Å; A159-I163 PolarHBondContact O-N 2.8Å; Q160-I163 PolarHBondContact O-N 2.87Å; I163-S165 PolarHBondContact O-N 3.29Å; I163-W166 HydrophobicContact CG1-CE3 4.36Å; I163-W166 HydrophobicContact CG1-CZ3 4.31Å; I163-W166 WeakPolarHBondContact O-CB 3.24Å; I163-W166 PolarHBondContact O-N 3.3Å; I163-S167 PolarHBondContact O-N 3.5Å; I163-S167 VanDerWaalsContact O-N 3.15Å; I163-S167 PolarHBondContact O-OG 3.44Å; I163-Y223 HydrophobicContact CD1-CE1 4.23Å
164	D	56.1	Low	53.4	Low	94 Å²	94	69 Å²	69	50%	0.503	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-30.9	176.2	-71.4	-6.3	0	0	0	110.9	Q160 E162 W166 S167	Q160-D164 PolarHBondContact NE2-OD1 3.06Å; Q160-D164 VanDerWaalsContact NE2-OD1 3.14Å; Q160-D164 WeakPolarHBondContact O-CB 3.19Å; Q160-D164 PolarHBondContact O-N 2.73Å; E162-D164 PolarHBondContact O-N 3.39Å; D164-W166 VanDerWaalsContact C-N 3.31Å; D164-S167 WeakPolarHBondContact CA-OG 3.38Å; D164-S167 PolarHBondContact O-N 2.82Å; D164-S167 PolarHBondContact O-OG 3.31Å
165	S	57.6	Low	53.3	Low	87 Å²	87	71.5 Å²	71.5	61%	0.608	38%	0.382	S	S	*	.	H	α-helix	trans	-70.8	-27.4	172.4	83.7	0	0	0	0	112.8	Q161 E162 I163 S167	Q161-S165 VanDerWaalsContact O-CB 3.22Å; Q161-S165 WeakPolarHBondContact O-CB 3.48Å; Q161-S165 PolarHBondContact O-N 3.37Å; E162-S165 WeakPolarHBondContact O-CA 3.49Å; E162-S165 WeakPolarHBondContact O-CB 3.23Å; E162-S165 PolarHBondContact O-N 3.29Å; E162-S165 VanDerWaalsContact O-N 3.12Å; E162-S165 PolarHBondContact O-OG 2.86Å; I163-S165 PolarHBondContact O-N 3.29Å; S165-S167 VanDerWaalsContact C-N 3.35Å
166	W	56.7	Low	53.4	Low	71 Å²	71	72.9 Å²	72.9	27%	0.269	38%	0.38	S	S	.	.	H	α-helix	trans	-74.9	-27.6	174.7	-56.3	-8.8	0	0	0	111.5	V131 R134 L135 V138 E162 I163 D164 G168	V131-W166 HydrophobicContact CG1-CE3 4.14Å; V131-W166 HydrophobicContact CG1-CZ3 4.13Å; R134-W166 HydrophobicContact CB-CH2 4.06Å; L135-W166 HydrophobicContact CD1-CZ3 4.44Å; V138-W166 HydrophobicContact CG2-CH2 4.27Å; E162-W166 HydrophobicContact CG-CZ2 3.72Å; E162-W166 VanDerWaalsContact O-CG 3.28Å; E162-W166 PolarHBondContact O-N 2.85Å; E162-W166 VanDerWaalsContact O-N 3.08Å; E162-W166 PolarHBondContact O-NE1 3.21Å; I163-W166 HydrophobicContact CG1-CE3 4.36Å; I163-W166 HydrophobicContact CG1-CZ3 4.31Å; I163-W166 WeakPolarHBondContact O-CB 3.24Å; I163-W166 PolarHBondContact O-N 3.3Å; D164-W166 VanDerWaalsContact C-N 3.31Å; W166-G168 PolarHBondContact O-N 2.81Å
167	S	48.9	Very low	53.6	Low	29 Å²	29	71.8 Å²	71.8	20%	0.203	38%	0.381	C	S	.	.			trans	-95.7	37.9	-167.4	67.9	0	0	0	0	115.7	I163 D164 S165 S169	I163-S167 PolarHBondContact O-N 3.5Å; I163-S167 VanDerWaalsContact O-N 3.15Å; I163-S167 PolarHBondContact O-OG 3.44Å; D164-S167 WeakPolarHBondContact CA-OG 3.38Å; D164-S167 PolarHBondContact O-N 2.82Å; D164-S167 PolarHBondContact O-OG 3.31Å; S165-S167 VanDerWaalsContact C-N 3.35Å; S167-S169 PolarHBondContact O-N 2.88Å
168	G	53	Low	53.7	Low	54 Å²	54	73.4 Å²	73.4	56%	0.557	39%	0.386	S	S	*	.			trans	-65.4	0.2	169.1	0	0	0	0	0	115.3	W166	W166-G168 PolarHBondContact O-N 2.81Å
169	S	50.8	Low	53.4	Low	3 Å²	3	77.2 Å²	77.2	2%	0.021	39%	0.388	C	S	.	.	S	Bend	trans	-111.2	124.5	178.8	-172.4	0	0	0	0	111.2	S167 Y171 W172	S167-S169 PolarHBondContact O-N 2.88Å; S169-Y171 PolarHBondContact O-N 3.39Å; S169-Y171 PolarHBondContact OG-N 2.86Å; S169-W172 PolarHBondContact O-N 3.42Å
170	P	52.6	Low	53.3	Low	87 Å²	87	81.3 Å²	81.3	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-52.7	-27.7	170.9	-24	32.1	0	0	0	113.4	W172 N173 D174	P170-W172 PolarHBondContact O-N 3.41Å; P170-N173 PolarHBondContact O-N 2.66Å; P170-D174 PolarHBondContact O-N 3.49Å
171	Y	49.3	Very low	53.3	Low	155 Å²	155	87.1 Å²	87.1	61%	0.608	42%	0.422	S	S	*	.	H	α-helix	trans	-64.5	-36.3	178.3	-101.4	-88.2	0	0	0	113.3	S169 W175	S169-Y171 PolarHBondContact O-N 3.39Å; S169-Y171 PolarHBondContact OG-N 2.86Å; Y171-W175 VanDerWaalsContact O-CB 3.31Å; Y171-W175 WeakPolarHBondContact O-CB 3.21Å; Y171-W175 PolarHBondContact O-N 3.33Å
172	W	47.5	Very low	53.1	Low	52 Å²	52	83.4 Å²	83.4	20%	0.197	40%	0.404	C	S	.	.	H	α-helix	trans	-67.1	-43.9	179.5	-85.4	114.5	0	0	0	111	P125 A128 V131 S169 P170 W175 F176	P125-W172 HydrophobicContact CG-CZ2 4.04Å; A128-W172 HydrophobicContact CB-CH2 4.08Å; V131-W172 HydrophobicContact CB-CH2 4.39Å; V131-W172 HydrophobicContact CG1-CH2 4.33Å; V131-W172 HydrophobicContact CG2-CH2 4.34Å; V131-W172 HydrophobicContact CG2-CZ2 4.49Å; S169-W172 PolarHBondContact O-N 3.42Å; P170-W172 PolarHBondContact O-N 3.41Å; W172-W175 PolarHBondContact O-N 3.42Å; W172-F176 AromaticContact CE3-CD2 3.85Å; W172-F176 HydrophobicContact CE3-CD2 3.85Å; W172-F176 AromaticContact CE3-CE2 3.56Å; W172-F176 HydrophobicContact CE3-CE2 3.56Å; W172-F176 HydrophobicContact CZ3-CD2 4.39Å; W172-F176 AromaticContact CZ3-CE2 3.72Å; W172-F176 HydrophobicContact CZ3-CE2 3.72Å; W172-F176 WeakPolarHBondContact O-CB 3.32Å; W172-F176 WeakPolarHBondContact O-CD2 3.34Å; W172-F176 PolarHBondContact O-N 2.94Å
173	N	52.5	Low	52.7	Low	87 Å²	87	82.9 Å²	82.9	47%	0.465	40%	0.402	S	S	.	.	H	α-helix	trans	-65.7	-42.8	176.5	-87.9	-24.2	0	0	0	112.1	P170 T177	P170-N173 PolarHBondContact O-N 2.66Å; N173-T177 WeakPolarHBondContact O-CB 3.42Å; N173-T177 PolarHBondContact O-N 3.42Å; N173-T177 PolarHBondContact O-OG1 3.23Å
174	D	52.6	Low	52.5	Low	75 Å²	75	83.6 Å²	83.6	40%	0.401	41%	0.408	S	S	.	.	H	α-helix	trans	-65.5	-42.5	175.9	-86.1	-22.1	0	0	0	111.1	P170 T177 Q178 K473	P170-D174 PolarHBondContact O-N 3.49Å; D174-T177 PolarHBondContact O-N 2.73Å; D174-Q178 WeakPolarHBondContact O-CB 3.21Å; D174-Q178 PolarHBondContact O-N 3.26Å; D174-K473 IonicContact OD1-NZ 3.65Å; D174-K473 PolarHBondContact OD1-NZ 3.34Å; D174-K473 IonicContact OD2-NZ 3.87Å
175	W	52.4	Low	52.3	Low	125 Å²	125	83 Å²	83	47%	0.473	40%	0.402	S	S	.	.	H	α-helix	trans	-64.2	-49.4	177.9	-173.5	87.8	0	0	0	112.3	Y171 W172 T177 Q178 R179	Y171-W175 VanDerWaalsContact O-CB 3.31Å; Y171-W175 WeakPolarHBondContact O-CB 3.21Å; Y171-W175 PolarHBondContact O-N 3.33Å; W172-W175 PolarHBondContact O-N 3.42Å; W175-T177 VanDerWaalsContact C-N 3.31Å; W175-T177 PolarHBondContact O-N 3.42Å; W175-Q178 PolarHBondContact O-N 3.49Å; W175-R179 HydrophobicContact CH2-CG 4.42Å; W175-R179 HydrophobicContact CZ2-CG 4.38Å; W175-R179 WeakPolarHBondContact O-CB 3.47Å; W175-R179 PolarHBondContact O-N 2.9Å
176	F	50.1	Low	52.2	Low	76 Å²	76	86.3 Å²	86.3	33%	0.333	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-35.4	176.1	-93.1	-74	0	0	0	112.3	W172 R180	W172-F176 AromaticContact CE3-CD2 3.85Å; W172-F176 HydrophobicContact CE3-CD2 3.85Å; W172-F176 AromaticContact CE3-CE2 3.56Å; W172-F176 HydrophobicContact CE3-CE2 3.56Å; W172-F176 HydrophobicContact CZ3-CD2 4.39Å; W172-F176 AromaticContact CZ3-CE2 3.72Å; W172-F176 HydrophobicContact CZ3-CE2 3.72Å; W172-F176 WeakPolarHBondContact O-CB 3.32Å; W172-F176 WeakPolarHBondContact O-CD2 3.34Å; W172-F176 PolarHBondContact O-N 2.94Å; F176-R180 VanDerWaalsContact O-CB 3.24Å; F176-R180 WeakPolarHBondContact O-CB 3.15Å; F176-R180 VanDerWaalsContact O-CG 3.23Å; F176-R180 WeakPolarHBondContact O-CG 3.03Å; F176-R180 PolarHBondContact O-N 3.26Å; F176-R180 PolarHBondContact O-NE 2.95Å
177	T	53.2	Low	51.9	Low	53 Å²	53	83.8 Å²	83.8	33%	0.325	39%	0.393	S	S	.	.	H	α-helix	trans	-68.9	-42.6	176.3	-59.2	0	0	0	0	110.7	N173 D174 W175 R180 Y181	N173-T177 WeakPolarHBondContact O-CB 3.42Å; N173-T177 PolarHBondContact O-N 3.42Å; N173-T177 PolarHBondContact O-OG1 3.23Å; D174-T177 PolarHBondContact O-N 2.73Å; W175-T177 VanDerWaalsContact C-N 3.31Å; W175-T177 PolarHBondContact O-N 3.42Å; T177-R180 PolarHBondContact O-N 3.5Å; T177-R180 PolarHBondContact OG1-NH2 3.01Å; T177-Y181 HydrophobicContact CG2-CD2 3.93Å; T177-Y181 HydrophobicContact CG2-CE2 4.14Å; T177-Y181 WeakPolarHBondContact O-CB 3.02Å; T177-Y181 WeakPolarHBondContact O-CD2 3.31Å; T177-Y181 PolarHBondContact O-N 2.94Å
178	Q	56.6	Low	52	Low	120 Å²	120	86 Å²	86	56%	0.561	40%	0.4	S	S	*	.	H	α-helix	trans	-67.1	-43.5	178.5	-169.8	163.2	4.2	0	0	111.5	D174 W175 R180 Y181 E182	D174-Q178 WeakPolarHBondContact O-CB 3.21Å; D174-Q178 PolarHBondContact O-N 3.26Å; W175-Q178 PolarHBondContact O-N 3.49Å; Q178-R180 PolarHBondContact O-N 2.81Å; Q178-Y181 WeakPolarHBondContact O-CB 2.85Å; Q178-Y181 PolarHBondContact O-N 3.43Å; Q178-E182 WeakPolarHBondContact O-CG 3.47Å; Q178-E182 PolarHBondContact O-N 3.22Å
179	R	54.1	Low	52.1	Low	136 Å²	136	90.6 Å²	90.6	51%	0.513	40%	0.4	S	S	.	.	H	α-helix	trans	-66.2	-37.1	175.8	-137.2	66.8	-179.6	157.7	-1.3	112.7	W175 E182 E183	W175-R179 HydrophobicContact CH2-CG 4.42Å; W175-R179 HydrophobicContact CZ2-CG 4.38Å; W175-R179 WeakPolarHBondContact O-CB 3.47Å; W175-R179 PolarHBondContact O-N 2.9Å; R179-E182 WeakPolarHBondContact CD-OE2 3.3Å; R179-E182 IonicContact CZ-OE2 2.74Å; R179-E182 IonicContact NE-OE2 3.87Å; R179-E182 IonicContact NH1-OE1 4Å; R179-E182 IonicContact NH1-OE2 3.73Å; R179-E182 PolarHBondContact NH1-OE2 2.59Å; R179-E182 PolarHBondContact O-N 3.47Å; R179-E183 WeakPolarHBondContact O-CB 3.37Å; R179-E183 PolarHBondContact O-N 3.29Å
180	R	50.9	Low	52.3	Low	100 Å²	100	93 Å²	93	38%	0.377	41%	0.412	S	S	.	.	H	α-helix	trans	-62.2	-45	170.2	-82.3	-179.9	-72.8	-179	-3.8	111.8	F176 T177 Q178 E183 V184	F176-R180 VanDerWaalsContact O-CB 3.24Å; F176-R180 WeakPolarHBondContact O-CB 3.15Å; F176-R180 VanDerWaalsContact O-CG 3.23Å; F176-R180 WeakPolarHBondContact O-CG 3.03Å; F176-R180 PolarHBondContact O-N 3.26Å; F176-R180 PolarHBondContact O-NE 2.95Å; T177-R180 PolarHBondContact O-N 3.5Å; T177-R180 PolarHBondContact OG1-NH2 3.01Å; Q178-R180 PolarHBondContact O-N 2.81Å; R180-E183 PolarHBondContact O-N 2.81Å; R180-V184 VanDerWaalsContact O-CB 3.32Å; R180-V184 WeakPolarHBondContact O-CB 3.34Å; R180-V184 WeakPolarHBondContact O-CG2 3.42Å; R180-V184 PolarHBondContact O-N 3.39Å
181	Y	51.8	Low	52.2	Low	171 Å²	171	90.9 Å²	90.9	67%	0.671	40%	0.395	S	S	*	.	H	α-helix	trans	-59.9	-48.6	175.9	-102.5	-73.7	0	0	0	111.6	T177 Q178 E183 V184 E185	T177-Y181 HydrophobicContact CG2-CD2 3.93Å; T177-Y181 HydrophobicContact CG2-CE2 4.14Å; T177-Y181 WeakPolarHBondContact O-CB 3.02Å; T177-Y181 WeakPolarHBondContact O-CD2 3.31Å; T177-Y181 PolarHBondContact O-N 2.94Å; Q178-Y181 WeakPolarHBondContact O-CB 2.85Å; Q178-Y181 PolarHBondContact O-N 3.43Å; Y181-E183 VanDerWaalsContact C-N 3.32Å; Y181-E183 PolarHBondContact O-N 2.91Å; Y181-V184 PolarHBondContact O-N 3.31Å; Y181-E185 WeakPolarHBondContact O-CB 3.47Å; Y181-E185 PolarHBondContact O-N 3.47Å
182	E	55.5	Low	52.2	Low	69 Å²	69	88.3 Å²	88.3	32%	0.322	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-39	179.3	-72.6	168.9	179.4	0	0	112	Q178 R179 R186	Q178-E182 WeakPolarHBondContact O-CG 3.47Å; Q178-E182 PolarHBondContact O-N 3.22Å; R179-E182 WeakPolarHBondContact CD-OE2 3.3Å; R179-E182 IonicContact CZ-OE2 2.74Å; R179-E182 IonicContact NE-OE2 3.87Å; R179-E182 IonicContact NH1-OE1 4Å; R179-E182 IonicContact NH1-OE2 3.73Å; R179-E182 PolarHBondContact NH1-OE2 2.59Å; R179-E182 PolarHBondContact O-N 3.47Å; E182-R186 WeakPolarHBondContact O-CB 3.21Å; E182-R186 PolarHBondContact O-N 3.02Å
183	E	51.1	Low	52.4	Low	60 Å²	60	89 Å²	89	28%	0.28	40%	0.402	S	S	.	.	H	α-helix	trans	-77.2	-38.1	-179.6	-147.4	62.2	-174.5	0	0	112.6	R179 R180 Y181 E185 R186 M187	R179-E183 WeakPolarHBondContact O-CB 3.37Å; R179-E183 PolarHBondContact O-N 3.29Å; R180-E183 PolarHBondContact O-N 2.81Å; Y181-E183 VanDerWaalsContact C-N 3.32Å; Y181-E183 PolarHBondContact O-N 2.91Å; E183-E185 VanDerWaalsContact C-N 3.33Å; E183-R186 PolarHBondContact O-N 3.13Å; E183-R186 IonicContact OE1-CZ 2.63Å; E183-R186 IonicContact OE1-NH1 3.52Å; E183-R186 PolarHBondContact OE1-NH1 3.44Å; E183-R186 IonicContact OE2-NH1 2.73Å; E183-M187 WeakPolarHBondContact O-CB 3.31Å; E183-M187 WeakPolarHBondContact O-CG 3.21Å; E183-M187 PolarHBondContact O-N 2.9Å
184	V	49.3	Very low	52.3	Low	51 Å²	51	85.7 Å²	85.7	31%	0.309	39%	0.385	S	S	.	.	H	α-helix	trans	-61	-44.9	170.1	168.9	0	0	0	0	110.2	R180 Y181 M187 Q188 I221	R180-V184 VanDerWaalsContact O-CB 3.32Å; R180-V184 WeakPolarHBondContact O-CB 3.34Å; R180-V184 WeakPolarHBondContact O-CG2 3.42Å; R180-V184 PolarHBondContact O-N 3.39Å; Y181-V184 PolarHBondContact O-N 3.31Å; V184-M187 PolarHBondContact O-N 3.06Å; V184-Q188 HydrophobicContact CG1-CG 4.37Å; V184-Q188 WeakPolarHBondContact O-CB 3.37Å; V184-Q188 WeakPolarHBondContact O-CG 3.36Å; V184-Q188 PolarHBondContact O-N 3.14Å; V184-I221 HydrophobicContact CG2-CD1 4.26Å; V184-I221 HydrophobicContact CG2-CG1 4Å
185	E	51.7	Low	52.1	Low	83 Å²	83	85.2 Å²	85.2	39%	0.388	38%	0.382	S	S	.	.	H	α-helix	trans	-66.8	-40.2	179.1	-166	-177.8	-179.3	0	0	111.1	Y181 E183 M187 Q188 R189	Y181-E185 WeakPolarHBondContact O-CB 3.47Å; Y181-E185 PolarHBondContact O-N 3.47Å; E183-E185 VanDerWaalsContact C-N 3.33Å; E185-M187 PolarHBondContact O-N 3Å; E185-Q188 PolarHBondContact O-N 3.4Å; E185-R189 WeakPolarHBondContact O-CB 3.22Å; E185-R189 VanDerWaalsContact O-CG 3.27Å; E185-R189 WeakPolarHBondContact O-CG 3.4Å; E185-R189 PolarHBondContact O-N 2.99Å; E185-R189 IonicContact OE1-CZ 2.76Å; E185-R189 IonicContact OE1-NE 3.66Å; E185-R189 IonicContact OE1-NH2 2.59Å; E185-R189 PolarHBondContact OE1-NH2 3.09Å; E185-R189 IonicContact OE2-NH2 3.39Å
186	R	55.1	Low	51.8	Low	156 Å²	156	88.2 Å²	88.2	59%	0.589	39%	0.393	S	S	*	.	H	α-helix	trans	-59.8	-45.3	172.8	-179.3	-173	167.1	-158.4	-4	111.2	E182 E183 R189 M190	E182-R186 WeakPolarHBondContact O-CB 3.21Å; E182-R186 PolarHBondContact O-N 3.02Å; E183-R186 PolarHBondContact O-N 3.13Å; E183-R186 IonicContact OE1-CZ 2.63Å; E183-R186 IonicContact OE1-NH1 3.52Å; E183-R186 PolarHBondContact OE1-NH1 3.44Å; E183-R186 IonicContact OE2-NH1 2.73Å; R186-R189 PolarHBondContact O-N 2.93Å; R186-M190 WeakPolarHBondContact O-CB 3.34Å; R186-M190 PolarHBondContact O-N 2.92Å
187	M	52	Low	51.9	Low	18 Å²	18	88.7 Å²	88.7	9%	0.089	40%	0.403	C	S	.	.	H	α-helix	trans	-66	-44.3	176.7	-74.6	-172.2	93.8	0	0	112	E183 V184 E185 R189 M190 I191 F214 A217 I221	E183-M187 WeakPolarHBondContact O-CB 3.31Å; E183-M187 WeakPolarHBondContact O-CG 3.21Å; E183-M187 PolarHBondContact O-N 2.9Å; V184-M187 PolarHBondContact O-N 3.06Å; E185-M187 PolarHBondContact O-N 3Å; M187-R189 VanDerWaalsContact C-N 3.33Å; M187-R189 PolarHBondContact O-N 3.26Å; M187-M190 PolarHBondContact O-N 3.31Å; M187-M190 VanDerWaalsContact O-N 3.13Å; M187-I191 WeakPolarHBondContact O-CB 3.43Å; M187-I191 VanDerWaalsContact O-CG1 3.27Å; M187-I191 WeakPolarHBondContact O-CG1 3.47Å; M187-I191 PolarHBondContact O-N 3.34Å; M187-F214 HydrophobicContact CE-CD2 3.64Å; M187-F214 HydrophobicContact CE-CE1 4.45Å; M187-F214 HydrophobicContact CE-CE2 3.53Å; M187-F214 HydrophobicContact CE-CG 4.16Å; M187-F214 HydrophobicContact CE-CZ 3.97Å; M187-A217 HydrophobicContact CE-CB 3.37Å; M187-A217 HydrophobicContact CG-CB 4.4Å; M187-A217 HydrophobicContact SD-CB 3.3Å; M187-A217 WeakPolarHBondContact SD-CB 3.39Å; M187-I221 HydrophobicContact SD-CD1 3.49Å; M187-I221 WeakPolarHBondContact SD-CD1 3.32Å
188	Q	50.6	Low	51.7	Low	75 Å²	75	92.9 Å²	92.9	35%	0.35	41%	0.414	S	S	.	.	H	α-helix	trans	-57.1	-48.3	175.5	-79.9	-179.4	-35.1	0	0	110.4	V184 E185 M190 I191 Q192	V184-Q188 HydrophobicContact CG1-CG 4.37Å; V184-Q188 WeakPolarHBondContact O-CB 3.37Å; V184-Q188 WeakPolarHBondContact O-CG 3.36Å; V184-Q188 PolarHBondContact O-N 3.14Å; E185-Q188 PolarHBondContact O-N 3.4Å; Q188-M190 VanDerWaalsContact C-N 3.33Å; Q188-M190 PolarHBondContact O-N 3.33Å; Q188-I191 PolarHBondContact O-N 3.33Å; Q188-Q192 VanDerWaalsContact O-CB 3.25Å; Q188-Q192 WeakPolarHBondContact O-CB 3.47Å; Q188-Q192 VanDerWaalsContact O-CG 3.23Å; Q188-Q192 WeakPolarHBondContact O-CG 3.32Å; Q188-Q192 PolarHBondContact O-N 3.48Å
189	R	54	Low	51.2	Low	150 Å²	150	88.9 Å²	88.9	57%	0.566	40%	0.404	S	S	*	.	H	α-helix	trans	-61.4	-39.3	175.1	-70.3	179.8	-159.5	-154.9	8.2	112.4	E185 R186 M187 S193	E185-R189 WeakPolarHBondContact O-CB 3.22Å; E185-R189 VanDerWaalsContact O-CG 3.27Å; E185-R189 WeakPolarHBondContact O-CG 3.4Å; E185-R189 PolarHBondContact O-N 2.99Å; E185-R189 IonicContact OE1-CZ 2.76Å; E185-R189 IonicContact OE1-NE 3.66Å; E185-R189 IonicContact OE1-NH2 2.59Å; E185-R189 PolarHBondContact OE1-NH2 3.09Å; E185-R189 IonicContact OE2-NH2 3.39Å; R186-R189 PolarHBondContact O-N 2.93Å; M187-R189 VanDerWaalsContact C-N 3.33Å; M187-R189 PolarHBondContact O-N 3.26Å; R189-S193 WeakPolarHBondContact O-CA 3.45Å; R189-S193 WeakPolarHBondContact O-CB 3.13Å; R189-S193 PolarHBondContact O-N 3.49Å
190	M	54.9	Low	50.7	Low	53 Å²	53	86.8 Å²	86.8	26%	0.261	40%	0.399	S	S	.	.	H	α-helix	trans	-67.5	-42	178.9	-166.2	178.7	78.3	0	0	111.8	R186 M187 Q188 S194	R186-M190 WeakPolarHBondContact O-CB 3.34Å; R186-M190 PolarHBondContact O-N 2.92Å; M187-M190 PolarHBondContact O-N 3.31Å; M187-M190 VanDerWaalsContact O-N 3.13Å; Q188-M190 VanDerWaalsContact C-N 3.33Å; Q188-M190 PolarHBondContact O-N 3.33Å; M190-S194 VanDerWaalsContact O-CB 3.25Å; M190-S194 WeakPolarHBondContact O-CB 3.49Å; M190-S194 PolarHBondContact O-N 3.48Å; M190-S194 PolarHBondContact O-OG 3.13Å
191	I	50.3	Low	50.5	Low	43 Å²	43	84.7 Å²	84.7	22%	0.221	41%	0.408	C	S	.	.	H	α-helix	trans	-66.6	-50.4	175.8	-67.4	166.5	0	0	0	109.7	M187 Q188 S193 S194 I195 I207 F214	M187-I191 WeakPolarHBondContact O-CB 3.43Å; M187-I191 VanDerWaalsContact O-CG1 3.27Å; M187-I191 WeakPolarHBondContact O-CG1 3.47Å; M187-I191 PolarHBondContact O-N 3.34Å; Q188-I191 PolarHBondContact O-N 3.33Å; I191-S193 PolarHBondContact O-N 3.33Å; I191-S194 PolarHBondContact O-N 3.36Å; I191-I195 HydrophobicContact CG2-CD1 3.64Å; I191-I195 HydrophobicContact CG2-CG1 4.35Å; I191-I195 WeakPolarHBondContact O-CB 3.33Å; I191-I195 VanDerWaalsContact O-CG1 3.25Å; I191-I195 WeakPolarHBondContact O-CG1 3.23Å; I191-I195 PolarHBondContact O-N 2.95Å; I191-I207 HydrophobicContact CG1-CD1 4.05Å; I191-F214 HydrophobicContact CD1-CE2 4.15Å; I191-F214 HydrophobicContact CD1-CZ 4.09Å; I191-F214 HydrophobicContact CG1-CE2 4.36Å
192	Q	50.3	Low	50.6	Low	102 Å²	102	77.8 Å²	77.8	48%	0.477	39%	0.39	S	S	.	.	H	α-helix	trans	-59.8	-44.9	177.7	-75	174.3	-26.9	0	0	111.8	Q188 I195 R196	Q188-Q192 VanDerWaalsContact O-CB 3.25Å; Q188-Q192 WeakPolarHBondContact O-CB 3.47Å; Q188-Q192 VanDerWaalsContact O-CG 3.23Å; Q188-Q192 WeakPolarHBondContact O-CG 3.32Å; Q188-Q192 PolarHBondContact O-N 3.48Å; Q192-I195 PolarHBondContact O-N 2.81Å; Q192-R196 WeakPolarHBondContact O-CB 3.49Å; Q192-R196 PolarHBondContact O-N 3.38Å
193	S	50.5	Low	50.6	Low	67 Å²	67	74.5 Å²	74.5	47%	0.469	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-46	174.4	179.5	0	0	0	0	110.9	R189 I191 I195 R196 T197	R189-S193 WeakPolarHBondContact O-CA 3.45Å; R189-S193 WeakPolarHBondContact O-CB 3.13Å; R189-S193 PolarHBondContact O-N 3.49Å; I191-S193 PolarHBondContact O-N 3.33Å; S193-I195 VanDerWaalsContact C-N 3.33Å; S193-I195 PolarHBondContact O-N 3.27Å; S193-R196 PolarHBondContact O-N 2.99Å; S193-T197 WeakPolarHBondContact O-CB 3.39Å; S193-T197 PolarHBondContact O-N 3.02Å; S193-T197 PolarHBondContact O-OG1 2.88Å
194	S	50.4	Low	50.6	Low	16 Å²	16	73.2 Å²	73.2	11%	0.112	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-40.5	179.6	-61.5	0	0	0	0	111.3	M190 I191 T197 Y198 A203	M190-S194 VanDerWaalsContact O-CB 3.25Å; M190-S194 WeakPolarHBondContact O-CB 3.49Å; M190-S194 PolarHBondContact O-N 3.48Å; M190-S194 PolarHBondContact O-OG 3.13Å; I191-S194 PolarHBondContact O-N 3.36Å; S194-T197 PolarHBondContact O-N 3.45Å; S194-Y198 WeakPolarHBondContact O-CB 2.96Å; S194-Y198 WeakPolarHBondContact O-CD2 3.06Å; S194-Y198 PolarHBondContact O-N 3.46Å; S194-A203 WeakPolarHBondContact O-CB 3.43Å
195	I	48.3	Very low	50.9	Low	65 Å²	65	79 Å²	79	33%	0.333	39%	0.39	S	S	.	.	H	α-helix	trans	-64.9	-45.5	176	-69	170.7	0	0	0	110.5	I191 Q192 S193 T197 G199 F200 A203	I191-I195 HydrophobicContact CG2-CD1 3.64Å; I191-I195 HydrophobicContact CG2-CG1 4.35Å; I191-I195 WeakPolarHBondContact O-CB 3.33Å; I191-I195 VanDerWaalsContact O-CG1 3.25Å; I191-I195 WeakPolarHBondContact O-CG1 3.23Å; I191-I195 PolarHBondContact O-N 2.95Å; Q192-I195 PolarHBondContact O-N 2.81Å; S193-I195 VanDerWaalsContact C-N 3.33Å; S193-I195 PolarHBondContact O-N 3.27Å; I195-T197 VanDerWaalsContact C-N 3.31Å; I195-T197 PolarHBondContact O-N 2.83Å; I195-G199 VanDerWaalsContact O-CA 3.25Å; I195-G199 WeakPolarHBondContact O-CA 3.41Å; I195-G199 PolarHBondContact O-N 3.34Å; I195-F200 HydrophobicContact CD1-CD2 4.14Å; I195-F200 HydrophobicContact CG1-CD2 4.35Å; I195-A203 HydrophobicContact CB-CB 4.4Å; I195-A203 HydrophobicContact CG1-CB 3.78Å
196	R	48.1	Very low	51.3	Low	188 Å²	188	76.7 Å²	76.7	71%	0.709	38%	0.384	S	S	*	.	H	α-helix	trans	-59.9	-40	174.7	-82.4	-172.7	-173.1	-176.9	4	111.8	Q192 S193	Q192-R196 WeakPolarHBondContact O-CB 3.49Å; Q192-R196 PolarHBondContact O-N 3.38Å; S193-R196 PolarHBondContact O-N 2.99Å
197	T	50.3	Low	51.3	Low	87 Å²	87	69.7 Å²	69.7	53%	0.534	36%	0.358	S	S	.	.	H	α-helix	trans	-81.7	-42.1	-174.5	-55.4	0	0	0	0	113.7	S193 S194 I195	S193-T197 WeakPolarHBondContact O-CB 3.39Å; S193-T197 PolarHBondContact O-N 3.02Å; S193-T197 PolarHBondContact O-OG1 2.88Å; S194-T197 PolarHBondContact O-N 3.45Å; I195-T197 VanDerWaalsContact C-N 3.31Å; I195-T197 PolarHBondContact O-N 2.83Å
198	Y	50.1	Low	51.5	Low	141 Å²	141	70.3 Å²	70.3	55%	0.553	37%	0.37	S	S	*	.	H	α-helix	trans	-115.8	-1.2	-167.9	-54.4	-68	0	0	0	113.9	S194 G202 A206	S194-Y198 WeakPolarHBondContact O-CB 2.96Å; S194-Y198 WeakPolarHBondContact O-CD2 3.06Å; S194-Y198 PolarHBondContact O-N 3.46Å; Y198-G202 WeakPolarHBondContact O-CA 3.42Å; Y198-G202 PolarHBondContact O-N 2.64Å; Y198-A206 HydrophobicContact CD2-CB 4.09Å; Y198-A206 HydrophobicContact CE2-CB 4.11Å
199	G	45.3	Very low	51.9	Low	36 Å²	36	72.5 Å²	72.5	37%	0.371	39%	0.389	S	S	.	.	H	α-helix	trans	65.7	165.5	-163	0	0	0	0	0	111.4	I195 G201 G202 A203	I195-G199 VanDerWaalsContact O-CA 3.25Å; I195-G199 WeakPolarHBondContact O-CA 3.41Å; I195-G199 PolarHBondContact O-N 3.34Å; G199-G201 PolarHBondContact O-N 3.23Å; G199-G202 PolarHBondContact O-N 2.71Å; G199-G202 VanDerWaalsContact O-N 3.13Å; G199-A203 VanDerWaalsContact O-CB 3.26Å; G199-A203 WeakPolarHBondContact O-CB 3.32Å; G199-A203 PolarHBondContact O-N 3.31Å
200	F	44.7	Very low	52	Low	92 Å²	92	69.3 Å²	69.3	40%	0.404	38%	0.38	S	S	.	.	H	α-helix	trans	-53.9	-48.9	-174.8	-172.5	-97.1	0	0	0	113	I195 G202 A203 M204 M258	I195-F200 HydrophobicContact CD1-CD2 4.14Å; I195-F200 HydrophobicContact CG1-CD2 4.35Å; F200-G202 PolarHBondContact O-N 3.19Å; F200-A203 WeakPolarHBondContact O-CB 3.34Å; F200-A203 PolarHBondContact O-N 3.31Å; F200-M204 HydrophobicContact CD1-CG 4.12Å; F200-M204 HydrophobicContact CE1-CG 3.8Å; F200-M204 HydrophobicContact CE2-CG 4.34Å; F200-M204 HydrophobicContact CE2-SD 4.35Å; F200-M204 HydrophobicContact CZ-CG 3.91Å; F200-M204 HydrophobicContact CZ-SD 4.12Å; F200-M204 WeakPolarHBondContact O-CB 3.09Å; F200-M204 VanDerWaalsContact O-CG 3.25Å; F200-M204 WeakPolarHBondContact O-CG 3.23Å; F200-M204 PolarHBondContact O-N 3.42Å; F200-M258 HydrophobicContact CD2-CE 4.11Å; F200-M258 HydrophobicContact CE1-CE 3.99Å; F200-M258 HydrophobicContact CE2-CE 3.4Å; F200-M258 HydrophobicContact CZ-CE 3.32Å
201	G	46.1	Very low	51.8	Low	55 Å²	55	69.8 Å²	69.8	57%	0.567	39%	0.392	S	S	*	.	H	α-helix	trans	-62.2	-38.2	179.3	0	0	0	0	0	113.9	G199 K205	G199-G201 PolarHBondContact O-N 3.23Å; G201-K205 PolarHBondContact O-N 3.22Å
202	G	54.4	Low	52	Low	27 Å²	27	75 Å²	75	28%	0.278	42%	0.416	S	S	.	.	H	α-helix	trans	-76.1	-34.3	176.5	0	0	0	0	0	112.8	Y198 G199 F200 K205 A206	Y198-G202 WeakPolarHBondContact O-CA 3.42Å; Y198-G202 PolarHBondContact O-N 2.64Å; G199-G202 PolarHBondContact O-N 2.71Å; G199-G202 VanDerWaalsContact O-N 3.13Å; F200-G202 PolarHBondContact O-N 3.19Å; G202-K205 WeakPolarHBondContact O-CB 3.37Å; G202-K205 PolarHBondContact O-N 2.58Å; G202-A206 WeakPolarHBondContact O-CB 3.12Å; G202-A206 PolarHBondContact O-N 3.43Å
203	A	54.1	Low	52.1	Low	0 Å²	0	74 Å²	74	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-62.6	-46.5	175	0	0	0	0	0	110.7	S194 I195 G199 F200 K205 A206 I207	S194-A203 WeakPolarHBondContact O-CB 3.43Å; I195-A203 HydrophobicContact CB-CB 4.4Å; I195-A203 HydrophobicContact CG1-CB 3.78Å; G199-A203 VanDerWaalsContact O-CB 3.26Å; G199-A203 WeakPolarHBondContact O-CB 3.32Å; G199-A203 PolarHBondContact O-N 3.31Å; F200-A203 WeakPolarHBondContact O-CB 3.34Å; F200-A203 PolarHBondContact O-N 3.31Å; A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 3.17Å; A203-A206 PolarHBondContact O-N 2.95Å; A203-I207 WeakPolarHBondContact O-CB 3.43Å; A203-I207 WeakPolarHBondContact O-CD1 3.4Å; A203-I207 WeakPolarHBondContact O-CG1 3.48Å; A203-I207 PolarHBondContact O-N 2.85Å
204	M	52.6	Low	52.1	Low	32 Å²	32	72.1 Å²	72.1	16%	0.158	40%	0.397	C	S	.	.	H	α-helix	trans	-62.9	-36.3	175.8	-67.8	-51.7	-65.4	0	0	111.8	F200 G208 L237 L241	F200-M204 HydrophobicContact CD1-CG 4.12Å; F200-M204 HydrophobicContact CE1-CG 3.8Å; F200-M204 HydrophobicContact CE2-CG 4.34Å; F200-M204 HydrophobicContact CE2-SD 4.35Å; F200-M204 HydrophobicContact CZ-CG 3.91Å; F200-M204 HydrophobicContact CZ-SD 4.12Å; F200-M204 WeakPolarHBondContact O-CB 3.09Å; F200-M204 VanDerWaalsContact O-CG 3.25Å; F200-M204 WeakPolarHBondContact O-CG 3.23Å; F200-M204 PolarHBondContact O-N 3.42Å; M204-G208 PolarHBondContact O-N 3.23Å; M204-L237 HydrophobicContact CE-CD1 3.9Å; M204-L237 HydrophobicContact CE-CD2 3.58Å; M204-L237 HydrophobicContact CE-CG 3.77Å; M204-L241 HydrophobicContact CE-CD1 4.38Å; M204-L241 HydrophobicContact CE-CD2 4.43Å
205	K	55.3	Low	52.2	Low	174 Å²	174	73.8 Å²	73.8	76%	0.757	41%	0.412	S	S	*	.	H	α-helix	trans	-68.5	-38.1	174.6	-142.2	177.2	-171.5	179.9	0	112.5	G201 G202 A203	G201-K205 PolarHBondContact O-N 3.22Å; G202-K205 WeakPolarHBondContact O-CB 3.37Å; G202-K205 PolarHBondContact O-N 2.58Å; A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 3.17Å
206	A	58.9	Low	52.3	Low	33 Å²	33	77.6 Å²	77.6	27%	0.273	42%	0.422	S	S	.	.	H	α-helix	trans	-69.5	-47.5	175.9	0	0	0	0	0	111.5	Y198 G202 A203 G208 T209	Y198-A206 HydrophobicContact CD2-CB 4.09Å; Y198-A206 HydrophobicContact CE2-CB 4.11Å; G202-A206 WeakPolarHBondContact O-CB 3.12Å; G202-A206 PolarHBondContact O-N 3.43Å; A203-A206 PolarHBondContact O-N 2.95Å; A206-G208 VanDerWaalsContact C-N 3.28Å; A206-G208 PolarHBondContact O-N 3.17Å; A206-T209 PolarHBondContact O-N 2.98Å; A206-T209 VanDerWaalsContact O-N 3.15Å; A206-T209 PolarHBondContact O-OG1 2.85Å
207	I	56.4	Low	52.4	Low	9 Å²	9	69.2 Å²	69.2	5%	0.046	39%	0.393	C	S	.	.	H	α-helix	trans	-63	-35.9	176.7	-66	163.4	0	0	0	110.8	I191 A203 T209 Q210 F214	I191-I207 HydrophobicContact CG1-CD1 4.05Å; A203-I207 WeakPolarHBondContact O-CB 3.43Å; A203-I207 WeakPolarHBondContact O-CD1 3.4Å; A203-I207 WeakPolarHBondContact O-CG1 3.48Å; A203-I207 PolarHBondContact O-N 2.85Å; I207-T209 PolarHBondContact O-N 2.77Å; I207-T209 VanDerWaalsContact O-N 3.12Å; I207-Q210 WeakPolarHBondContact O-CA 3.5Å; I207-Q210 PolarHBondContact O-N 2.82Å; I207-F214 HydrophobicContact CG2-CD2 3.5Å; I207-F214 HydrophobicContact CG2-CE2 3.56Å; I207-F214 HydrophobicContact CG2-CG 4.15Å; I207-F214 HydrophobicContact CG2-CZ 4.23Å
208	G	55.9	Low	52.3	Low	32 Å²	32	65.9 Å²	65.9	33%	0.33	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-58.5	-22.8	175.9	0	0	0	0	0	114.5	M204 A206 Q210	M204-G208 PolarHBondContact O-N 3.23Å; A206-G208 VanDerWaalsContact C-N 3.28Å; A206-G208 PolarHBondContact O-N 3.17Å; G208-Q210 VanDerWaalsContact C-N 3.26Å; G208-Q210 PolarHBondContact O-N 3.43Å
209	T	59.2	Low	52.3	Low	121 Å²	121	64.4 Å²	64.4	74%	0.742	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-75.8	-12.6	173.5	63.5	0	0	0	0	113.8	A206 I207	A206-T209 PolarHBondContact O-N 2.98Å; A206-T209 VanDerWaalsContact O-N 3.15Å; A206-T209 PolarHBondContact O-OG1 2.85Å; I207-T209 PolarHBondContact O-N 2.77Å; I207-T209 VanDerWaalsContact O-N 3.12Å
210	Q	56.1	Low	52.4	Low	83 Å²	83	66.7 Å²	66.7	39%	0.388	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-110.2	30	177.2	-65	-169.9	-15.2	0	0	112.2	I207 G208 E212 D213 F214	I207-Q210 WeakPolarHBondContact O-CA 3.5Å; I207-Q210 PolarHBondContact O-N 2.82Å; G208-Q210 VanDerWaalsContact C-N 3.26Å; G208-Q210 PolarHBondContact O-N 3.43Å; Q210-E212 PolarHBondContact O-N 3.36Å; Q210-E212 VanDerWaalsContact O-N 3.1Å; Q210-D213 HydrophobicContact CB-CB 4.36Å; Q210-D213 PolarHBondContact O-N 2.95Å; Q210-F214 PolarHBondContact O-N 3.33Å
211	A	50.7	Low	52.6	Low	62 Å²	62	64.7 Å²	64.7	51%	0.512	37%	0.37	S	S	.	.	H	α-helix	trans	-51	-38.1	-173.9	0	0	0	0	0	114.1	A215	A211-A215 WeakPolarHBondContact O-CB 3.18Å; A211-A215 PolarHBondContact O-N 3.29Å
212	E	53.6	Low	52.7	Low	153 Å²	153	63.7 Å²	63.7	72%	0.715	35%	0.354	S	S	*	.	H	α-helix	trans	-68.7	-36.9	176.3	-74.6	-177.4	167.5	0	0	113.5	Q210 R216	Q210-E212 PolarHBondContact O-N 3.36Å; Q210-E212 VanDerWaalsContact O-N 3.1Å; E212-R216 WeakPolarHBondContact O-CB 3.36Å; E212-R216 PolarHBondContact O-N 3.4Å
213	D	52.9	Low	52.4	Low	80 Å²	80	66.2 Å²	66.2	43%	0.428	36%	0.356	S	S	.	.	H	α-helix	trans	-73.4	-35.2	177.7	-68	-19.4	0	0	0	110.7	Q210 R216 A217	Q210-D213 HydrophobicContact CB-CB 4.36Å; Q210-D213 PolarHBondContact O-N 2.95Å; D213-R216 PolarHBondContact O-N 3.31Å; D213-R216 IonicContact OD1-CZ 3.67Å; D213-R216 IonicContact OD1-NE 3.77Å; D213-R216 IonicContact OD1-NH2 2.87Å; D213-R216 PolarHBondContact OD1-NH2 3.2Å; D213-A217 VanDerWaalsContact O-CB 3.3Å; D213-A217 WeakPolarHBondContact O-CB 3.37Å; D213-A217 PolarHBondContact O-N 2.87Å
214	F	50.3	Low	52.1	Low	28 Å²	28	70.2 Å²	70.2	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-69.7	-41.5	175.8	-146.5	-95.1	0	0	0	111.7	M187 I191 I207 Q210 A217 V218 F234	M187-F214 HydrophobicContact CE-CD2 3.64Å; M187-F214 HydrophobicContact CE-CE1 4.45Å; M187-F214 HydrophobicContact CE-CE2 3.53Å; M187-F214 HydrophobicContact CE-CG 4.16Å; M187-F214 HydrophobicContact CE-CZ 3.97Å; I191-F214 HydrophobicContact CD1-CE2 4.15Å; I191-F214 HydrophobicContact CD1-CZ 4.09Å; I191-F214 HydrophobicContact CG1-CE2 4.36Å; I207-F214 HydrophobicContact CG2-CD2 3.5Å; I207-F214 HydrophobicContact CG2-CE2 3.56Å; I207-F214 HydrophobicContact CG2-CG 4.15Å; I207-F214 HydrophobicContact CG2-CZ 4.23Å; Q210-F214 PolarHBondContact O-N 3.33Å; F214-A217 PolarHBondContact O-N 3.42Å; F214-V218 HydrophobicContact CD1-CG2 4.17Å; F214-V218 HydrophobicContact CE1-CG2 4.38Å; F214-V218 VanDerWaalsContact O-CG2 3.29Å; F214-V218 WeakPolarHBondContact O-CG2 3.45Å; F214-V218 PolarHBondContact O-N 3.39Å; F214-F234 HydrophobicContact CD1-CE1 4.4Å; F214-F234 AromaticContact CE1-CD1 3.73Å; F214-F234 HydrophobicContact CE1-CD1 3.73Å; F214-F234 AromaticContact CE1-CE1 3.31Å; F214-F234 HydrophobicContact CE1-CE1 3.31Å; F214-F234 HydrophobicContact CE1-CZ 4.27Å; F214-F234 AromaticContact CZ-CE1 3.79Å; F214-F234 HydrophobicContact CZ-CE1 3.79Å
215	A	52.1	Low	51.5	Low	52 Å²	52	72.3 Å²	72.3	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-47.6	172.4	0	0	0	0	0	111.5	A211 A217 V218 D219	A211-A215 WeakPolarHBondContact O-CB 3.18Å; A211-A215 PolarHBondContact O-N 3.29Å; A215-A217 VanDerWaalsContact C-N 3.26Å; A215-A217 PolarHBondContact O-N 2.9Å; A215-V218 PolarHBondContact O-N 2.8Å; A215-D219 PolarHBondContact O-N 2.87Å
216	R	51.6	Low	51.1	Low	145 Å²	145	70.6 Å²	70.6	55%	0.547	39%	0.394	S	S	.	.	H	α-helix	trans	-57.9	-39.2	174.4	-87.4	-174.3	-78.1	-150.4	-1	112.5	E212 D213 D219 I220	E212-R216 WeakPolarHBondContact O-CB 3.36Å; E212-R216 PolarHBondContact O-N 3.4Å; D213-R216 PolarHBondContact O-N 3.31Å; D213-R216 IonicContact OD1-CZ 3.67Å; D213-R216 IonicContact OD1-NE 3.77Å; D213-R216 IonicContact OD1-NH2 2.87Å; D213-R216 PolarHBondContact OD1-NH2 3.2Å; R216-D219 PolarHBondContact O-N 3.23Å; R216-I220 WeakPolarHBondContact O-CD1 3.41Å; R216-I220 VanDerWaalsContact O-CG1 3.24Å; R216-I220 WeakPolarHBondContact O-CG1 3.28Å; R216-I220 PolarHBondContact O-N 3.18Å
217	A	48.9	Very low	50.9	Low	11 Å²	11	73.5 Å²	73.5	9%	0.091	40%	0.402	C	S	.	.	H	α-helix	trans	-75.4	-35.3	-179.7	0	0	0	0	0	112.6	M187 D213 F214 A215 D219 I220 I221	M187-A217 HydrophobicContact CE-CB 3.37Å; M187-A217 HydrophobicContact CG-CB 4.4Å; M187-A217 HydrophobicContact SD-CB 3.3Å; M187-A217 WeakPolarHBondContact SD-CB 3.39Å; D213-A217 VanDerWaalsContact O-CB 3.3Å; D213-A217 WeakPolarHBondContact O-CB 3.37Å; D213-A217 PolarHBondContact O-N 2.87Å; F214-A217 PolarHBondContact O-N 3.42Å; A215-A217 VanDerWaalsContact C-N 3.26Å; A215-A217 PolarHBondContact O-N 2.9Å; A217-D219 VanDerWaalsContact C-N 3.31Å; A217-D219 PolarHBondContact O-N 2.76Å; A217-I220 PolarHBondContact O-N 3.08Å; A217-I221 WeakPolarHBondContact O-CB 3.22Å; A217-I221 WeakPolarHBondContact O-CD1 3.05Å; A217-I221 WeakPolarHBondContact O-CG1 3.33Å; A217-I221 PolarHBondContact O-N 3.04Å
218	V	49.1	Very low	50.6	Low	17 Å²	17	77.8 Å²	77.8	10%	0.103	42%	0.422	C	S	.	.	H	α-helix	trans	-60.4	-42.1	168.5	170.3	0	0	0	0	110.3	F214 A215 I220 I221 C222 F234	F214-V218 HydrophobicContact CD1-CG2 4.17Å; F214-V218 HydrophobicContact CE1-CG2 4.38Å; F214-V218 VanDerWaalsContact O-CG2 3.29Å; F214-V218 WeakPolarHBondContact O-CG2 3.45Å; F214-V218 PolarHBondContact O-N 3.39Å; A215-V218 PolarHBondContact O-N 2.8Å; V218-I220 VanDerWaalsContact C-N 3.31Å; V218-I220 PolarHBondContact O-N 2.89Å; V218-I221 PolarHBondContact O-N 3.34Å; V218-C222 VanDerWaalsContact O-CB 3.25Å; V218-C222 WeakPolarHBondContact O-CB 3.24Å; V218-C222 PolarHBondContact O-N 2.9Å; V218-C222 PolarHBondContact O-SG 2.83Å; V218-F234 HydrophobicContact CG1-CB 4.33Å; V218-F234 HydrophobicContact CG1-CD2 4.45Å; V218-F234 HydrophobicContact CG1-CG 4.46Å; V218-F234 HydrophobicContact CG2-CB 4.28Å; V218-F234 HydrophobicContact CG2-CD1 3.87Å; V218-F234 HydrophobicContact CG2-CD2 4Å; V218-F234 HydrophobicContact CG2-CE1 4.21Å; V218-F234 HydrophobicContact CG2-CE2 4.29Å; V218-F234 HydrophobicContact CG2-CG 3.78Å; V218-F234 HydrophobicContact CG2-CZ 4.39Å
219	D	50.5	Low	50.1	Low	111 Å²	111	85.6 Å²	85.6	59%	0.594	44%	0.441	S	S	*	.	H	α-helix	trans	-63.5	-35.5	175	-73.9	-25.3	0	0	0	112.3	A215 R216 A217 Y223	A215-D219 PolarHBondContact O-N 2.87Å; R216-D219 PolarHBondContact O-N 3.23Å; A217-D219 VanDerWaalsContact C-N 3.31Å; A217-D219 PolarHBondContact O-N 2.76Å; D219-Y223 WeakPolarHBondContact O-CD2 3.42Å
220	I	47.3	Very low	49.7	Very low	83 Å²	83	81.8 Å²	81.8	43%	0.426	42%	0.416	S	S	.	.	H	α-helix	trans	-70.5	-36.1	174.4	-69	163.5	0	0	0	111.7	R216 A217 V218	R216-I220 WeakPolarHBondContact O-CD1 3.41Å; R216-I220 VanDerWaalsContact O-CG1 3.24Å; R216-I220 WeakPolarHBondContact O-CG1 3.28Å; R216-I220 PolarHBondContact O-N 3.18Å; A217-I220 PolarHBondContact O-N 3.08Å; V218-I220 VanDerWaalsContact C-N 3.31Å; V218-I220 PolarHBondContact O-N 2.89Å
221	I	48.3	Very low	49.4	Very low	50 Å²	50	83.4 Å²	83.4	26%	0.256	42%	0.418	S	S	.	.	H	α-helix	trans	-77.8	-39.2	-178.5	-69.1	166.7	0	0	0	111.8	V184 M187 A217 V218 Y223	V184-I221 HydrophobicContact CG2-CD1 4.26Å; V184-I221 HydrophobicContact CG2-CG1 4Å; M187-I221 HydrophobicContact SD-CD1 3.49Å; M187-I221 WeakPolarHBondContact SD-CD1 3.32Å; A217-I221 WeakPolarHBondContact O-CB 3.22Å; A217-I221 WeakPolarHBondContact O-CD1 3.05Å; A217-I221 WeakPolarHBondContact O-CG1 3.33Å; A217-I221 PolarHBondContact O-N 3.04Å; V218-I221 PolarHBondContact O-N 3.34Å; I221-Y223 PolarHBondContact O-N 3.12Å
222	C	49.1	Very low	49.5	Very low	35 Å²	35	83.1 Å²	83.1	24%	0.236	41%	0.41	C	S	.	.			trans	-82.3	22	-169.4	-64	0	0	0	0	115	V218 D224	V218-C222 VanDerWaalsContact O-CB 3.25Å; V218-C222 WeakPolarHBondContact O-CB 3.24Å; V218-C222 PolarHBondContact O-N 2.9Å; V218-C222 PolarHBondContact O-SG 2.83Å; C222-D224 PolarHBondContact O-N 2.6Å; C222-D224 VanDerWaalsContact O-N 3.13Å
223	Y	47.6	Very low	49.4	Very low	80 Å²	80	76.1 Å²	76.1	31%	0.314	38%	0.378	S	S	.	.			trans	-73	3.1	-176.2	-115.2	-87.6	0	0	0	115.4	I163 D219 I221	I163-Y223 HydrophobicContact CD1-CE1 4.23Å; D219-Y223 WeakPolarHBondContact O-CD2 3.42Å; I221-Y223 PolarHBondContact O-N 3.12Å
224	D	46.8	Very low	49.4	Very low	83 Å²	83	73.8 Å²	73.8	44%	0.444	36%	0.364	S	S	.	.	S	Bend	trans	-123.8	122.8	178.2	-168.9	-14.5	0	0	0	111.2	C222 N226 Q227	C222-D224 PolarHBondContact O-N 2.6Å; C222-D224 VanDerWaalsContact O-N 3.13Å; D224-N226 PolarHBondContact O-N 3.49Å; D224-N226 PolarHBondContact OD1-N 3.37Å; D224-Q227 PolarHBondContact O-N 2.76Å; D224-Q227 VanDerWaalsContact O-N 3.11Å
225	S	40.6	Very low	49.7	Very low	77 Å²	77	76.5 Å²	76.5	54%	0.538	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-46	-18.3	169.9	55	0	0	0	0	115.8	Q227	S225-Q227 VanDerWaalsContact C-N 3.31Å; S225-Q227 PolarHBondContact O-N 3.39Å
226	N	46.9	Very low	49.8	Very low	137 Å²	137	74.7 Å²	74.7	73%	0.733	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-81.7	2.9	177.7	-77.8	-51.4	0	0	0	115.5	D224	D224-N226 PolarHBondContact O-N 3.49Å; D224-N226 PolarHBondContact OD1-N 3.37Å
227	Q	55.4	Low	49.8	Very low	95 Å²	95	68.6 Å²	68.6	44%	0.444	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-127.9	36.8	-178.5	-62.8	-153	-26.4	0	0	114.9	D224 S225 R229 I230 R231	D224-Q227 PolarHBondContact O-N 2.76Å; D224-Q227 VanDerWaalsContact O-N 3.11Å; S225-Q227 VanDerWaalsContact C-N 3.31Å; S225-Q227 PolarHBondContact O-N 3.39Å; Q227-R229 PolarHBondContact O-N 3.15Å; Q227-R229 VanDerWaalsContact O-N 3.09Å; Q227-I230 HydrophobicContact CB-CB 4.26Å; Q227-I230 HydrophobicContact CB-CD1 4.45Å; Q227-I230 HydrophobicContact CB-CG1 4.21Å; Q227-I230 PolarHBondContact O-N 3.37Å; Q227-R231 PolarHBondContact O-N 3.44Å
228	E	49.1	Very low	50	Low	98 Å²	98	70 Å²	70	46%	0.458	35%	0.353	S	S	.	.	H	α-helix	trans	-49.4	-36	171.4	-163.6	63.8	-151.9	0	0	112.5	I230 R231 V232	E228-I230 PolarHBondContact O-N 3.14Å; E228-R231 PolarHBondContact O-N 3.11Å; E228-R231 IonicContact OE1-CZ 2.7Å; E228-R231 IonicContact OE1-NE 2.72Å; E228-R231 PolarHBondContact OE1-NE 2.87Å; E228-R231 IonicContact OE1-NH2 3.66Å; E228-R231 PolarHBondContact OE1-NH2 3.13Å; E228-R231 IonicContact OE2-NE 2.92Å; E228-V232 VanDerWaalsContact O-CG2 3.3Å; E228-V232 WeakPolarHBondContact O-CG2 3.36Å; E228-V232 PolarHBondContact O-N 3.19Å
229	R	46.6	Very low	50.2	Low	196 Å²	196	72.8 Å²	72.8	74%	0.74	37%	0.365	S	S	*	.	H	α-helix	trans	-62.6	-39.2	175.7	-79.3	-174.6	166.3	-165.6	-6.7	113.5	Q227 A233	Q227-R229 PolarHBondContact O-N 3.15Å; Q227-R229 VanDerWaalsContact O-N 3.09Å; R229-A233 VanDerWaalsContact O-CB 3.24Å; R229-A233 WeakPolarHBondContact O-CB 3.38Å; R229-A233 PolarHBondContact O-N 3.43Å
230	I	49.3	Very low	50.3	Low	41 Å²	41	70.1 Å²	70.1	21%	0.21	35%	0.351	C	S	.	.	H	α-helix	trans	-70.5	-39	179	-60.8	-161.3	0	0	0	110.1	Q227 E228 A233 F234	Q227-I230 HydrophobicContact CB-CB 4.26Å; Q227-I230 HydrophobicContact CB-CD1 4.45Å; Q227-I230 HydrophobicContact CB-CG1 4.21Å; Q227-I230 PolarHBondContact O-N 3.37Å; E228-I230 PolarHBondContact O-N 3.14Å; I230-A233 PolarHBondContact O-N 3.04Å; I230-F234 HydrophobicContact CG2-CD2 3.65Å; I230-F234 HydrophobicContact CG2-CE2 3.65Å; I230-F234 WeakPolarHBondContact O-CD2 3.37Å; I230-F234 PolarHBondContact O-N 3.05Å
231	R	49.9	Very low	50.3	Low	118 Å²	118	70.6 Å²	70.6	45%	0.445	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-46.8	175	-165.9	-179.7	77.5	125.8	0.3	112.1	Q227 E228 A233 F234 N235	Q227-R231 PolarHBondContact O-N 3.44Å; E228-R231 PolarHBondContact O-N 3.11Å; E228-R231 IonicContact OE1-CZ 2.7Å; E228-R231 IonicContact OE1-NE 2.72Å; E228-R231 PolarHBondContact OE1-NE 2.87Å; E228-R231 IonicContact OE1-NH2 3.66Å; E228-R231 PolarHBondContact OE1-NH2 3.13Å; E228-R231 IonicContact OE2-NE 2.92Å; R231-A233 VanDerWaalsContact C-N 3.31Å; R231-A233 PolarHBondContact O-N 2.91Å; R231-F234 PolarHBondContact O-N 3.09Å; R231-N235 WeakPolarHBondContact O-CB 3.49Å; R231-N235 PolarHBondContact O-N 3.31Å; R231-N235 PolarHBondContact O-ND2 3.42Å
232	V	54.3	Low	50.5	Low	56 Å²	56	75.3 Å²	75.3	34%	0.339	37%	0.372	S	S	.	.	H	α-helix	trans	-58.5	-46.4	174.9	170.1	0	0	0	0	110.1	E228 F234 N235 T236	E228-V232 VanDerWaalsContact O-CG2 3.3Å; E228-V232 WeakPolarHBondContact O-CG2 3.36Å; E228-V232 PolarHBondContact O-N 3.19Å; V232-F234 PolarHBondContact O-N 2.98Å; V232-N235 PolarHBondContact O-N 3.42Å; V232-T236 PolarHBondContact O-N 3.5Å; V232-T236 PolarHBondContact O-OG1 2.6Å
233	A	51.3	Low	50.4	Low	5 Å²	5	77 Å²	77	4%	0.041	40%	0.395	C	S	.	.	H	α-helix	trans	-61	-48.2	180	0	0	0	0	0	111.6	R229 I230 R231 N235 T236 L237 L257	R229-A233 VanDerWaalsContact O-CB 3.24Å; R229-A233 WeakPolarHBondContact O-CB 3.38Å; R229-A233 PolarHBondContact O-N 3.43Å; I230-A233 PolarHBondContact O-N 3.04Å; R231-A233 VanDerWaalsContact C-N 3.31Å; R231-A233 PolarHBondContact O-N 2.91Å; A233-N235 VanDerWaalsContact C-N 3.32Å; A233-N235 PolarHBondContact O-N 3.06Å; A233-T236 PolarHBondContact O-N 3.47Å; A233-L237 PolarHBondContact O-N 3.19Å; A233-L257 HydrophobicContact CB-CB 3.91Å; A233-L257 HydrophobicContact CB-CD1 3.42Å; A233-L257 VanDerWaalsContact CB-CD1 3.42Å; A233-L257 HydrophobicContact CB-CG 3.48Å; A233-L257 VanDerWaalsContact CB-CG 3.48Å; A233-L257 WeakPolarHBondContact O-CD1 3.39Å
234	F	52.9	Low	50.6	Low	31 Å²	31	75.8 Å²	75.8	14%	0.136	40%	0.399	C	S	.	.	H	α-helix	trans	-62.1	-35.6	175.1	-86.4	-63.4	0	0	0	113.4	F214 V218 I230 R231 V232 L237 A238	F214-F234 HydrophobicContact CD1-CE1 4.4Å; F214-F234 AromaticContact CE1-CD1 3.73Å; F214-F234 HydrophobicContact CE1-CD1 3.73Å; F214-F234 AromaticContact CE1-CE1 3.31Å; F214-F234 HydrophobicContact CE1-CE1 3.31Å; F214-F234 HydrophobicContact CE1-CZ 4.27Å; F214-F234 AromaticContact CZ-CE1 3.79Å; F214-F234 HydrophobicContact CZ-CE1 3.79Å; V218-F234 HydrophobicContact CG1-CB 4.33Å; V218-F234 HydrophobicContact CG1-CD2 4.45Å; V218-F234 HydrophobicContact CG1-CG 4.46Å; V218-F234 HydrophobicContact CG2-CB 4.28Å; V218-F234 HydrophobicContact CG2-CD1 3.87Å; V218-F234 HydrophobicContact CG2-CD2 4Å; V218-F234 HydrophobicContact CG2-CE1 4.21Å; V218-F234 HydrophobicContact CG2-CE2 4.29Å; V218-F234 HydrophobicContact CG2-CG 3.78Å; V218-F234 HydrophobicContact CG2-CZ 4.39Å; I230-F234 HydrophobicContact CG2-CD2 3.65Å; I230-F234 HydrophobicContact CG2-CE2 3.65Å; I230-F234 WeakPolarHBondContact O-CD2 3.37Å; I230-F234 PolarHBondContact O-N 3.05Å; R231-F234 PolarHBondContact O-N 3.09Å; V232-F234 PolarHBondContact O-N 2.98Å; F234-L237 HydrophobicContact CD1-CD2 4.24Å; F234-L237 HydrophobicContact CE1-CD2 4.49Å; F234-L237 WeakPolarHBondContact O-CB 3.17Å; F234-L237 PolarHBondContact O-N 3.23Å; F234-A238 PolarHBondContact O-N 2.69Å
235	N	56	Low	50.9	Low	85 Å²	85	76.3 Å²	76.3	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-66.3	-42.2	174.5	-75.4	-26.1	0	0	0	112	R231 V232 A233 L237 A238 E239	R231-N235 WeakPolarHBondContact O-CB 3.49Å; R231-N235 PolarHBondContact O-N 3.31Å; R231-N235 PolarHBondContact O-ND2 3.42Å; V232-N235 PolarHBondContact O-N 3.42Å; A233-N235 VanDerWaalsContact C-N 3.32Å; A233-N235 PolarHBondContact O-N 3.06Å; N235-L237 VanDerWaalsContact C-N 3.29Å; N235-L237 PolarHBondContact O-N 3.06Å; N235-A238 WeakPolarHBondContact O-CB 3.42Å; N235-A238 PolarHBondContact O-N 3.48Å; N235-A238 VanDerWaalsContact O-N 3.15Å; N235-E239 PolarHBondContact O-N 3.06Å
236	T	54.4	Low	51.6	Low	14 Å²	14	77 Å²	77	9%	0.086	41%	0.412	C	S	.	.	H	α-helix	trans	-60.3	-41.8	173.6	-53.9	0	0	0	0	110.7	V232 A233 A238 E239 I240 E250	V232-T236 PolarHBondContact O-N 3.5Å; V232-T236 PolarHBondContact O-OG1 2.6Å; A233-T236 PolarHBondContact O-N 3.47Å; T236-A238 VanDerWaalsContact C-N 3.33Å; T236-A238 PolarHBondContact O-N 3.39Å; T236-E239 PolarHBondContact O-N 2.97Å; T236-I240 HydrophobicContact CG2-CD1 4.31Å; T236-I240 VanDerWaalsContact O-CG1 3.32Å; T236-I240 WeakPolarHBondContact O-CG1 3.25Å; T236-I240 PolarHBondContact O-N 3.3Å; T236-E250 HydrophobicContact CG2-CB 3.84Å; T236-E250 HydrophobicContact CG2-CG 3.94Å
237	L	50.9	Low	52.1	Low	18 Å²	18	74.1 Å²	74.1	9%	0.094	40%	0.399	C	S	.	.	H	α-helix	trans	-60.8	-40.8	174.3	-155.9	82.2	0	0	0	112.1	M204 A233 F234 N235 I240 L241 M254 L257	M204-L237 HydrophobicContact CE-CD1 3.9Å; M204-L237 HydrophobicContact CE-CD2 3.58Å; M204-L237 HydrophobicContact CE-CG 3.77Å; A233-L237 PolarHBondContact O-N 3.19Å; F234-L237 HydrophobicContact CD1-CD2 4.24Å; F234-L237 HydrophobicContact CE1-CD2 4.49Å; F234-L237 WeakPolarHBondContact O-CB 3.17Å; F234-L237 PolarHBondContact O-N 3.23Å; N235-L237 VanDerWaalsContact C-N 3.29Å; N235-L237 PolarHBondContact O-N 3.06Å; L237-I240 PolarHBondContact O-N 3.38Å; L237-L241 VanDerWaalsContact O-CG 3.31Å; L237-L241 WeakPolarHBondContact O-CG 3.24Å; L237-L241 PolarHBondContact O-N 2.82Å; L237-M254 HydrophobicContact CD1-SD 3.76Å; L237-L257 HydrophobicContact CB-CD1 4.1Å; L237-L257 HydrophobicContact CD1-CD1 4.03Å
238	A	53.2	Low	51.9	Low	40 Å²	40	74.3 Å²	74.3	33%	0.331	42%	0.417	S	S	.	.	H	α-helix	trans	-65.6	-36.4	176.9	0	0	0	0	0	112.4	F234 N235 T236 L241 K242	F234-A238 PolarHBondContact O-N 2.69Å; N235-A238 WeakPolarHBondContact O-CB 3.42Å; N235-A238 PolarHBondContact O-N 3.48Å; N235-A238 VanDerWaalsContact O-N 3.15Å; T236-A238 VanDerWaalsContact C-N 3.33Å; T236-A238 PolarHBondContact O-N 3.39Å; A238-L241 PolarHBondContact O-N 3.47Å; A238-K242 WeakPolarHBondContact O-CG 3.45Å; A238-K242 PolarHBondContact O-N 3.06Å
239	E	54.2	Low	52.1	Low	76 Å²	76	77.3 Å²	77.3	36%	0.355	43%	0.431	S	S	.	.	H	α-helix	trans	-71.4	-36.7	174.5	-70.8	-58.6	132.1	0	0	112.4	N235 T236 L241 K242 S244	N235-E239 PolarHBondContact O-N 3.06Å; T236-E239 PolarHBondContact O-N 2.97Å; E239-L241 VanDerWaalsContact C-N 3.31Å; E239-L241 PolarHBondContact O-N 2.81Å; E239-K242 WeakPolarHBondContact O-CB 3.1Å; E239-K242 PolarHBondContact O-N 2.99Å; E239-K242 VanDerWaalsContact O-N 3.09Å; E239-K242 IonicContact OE1-NZ 2.71Å; E239-K242 PolarHBondContact OE1-NZ 3.25Å; E239-S244 WeakPolarHBondContact O-CB 3.33Å; E239-S244 PolarHBondContact O-N 3.33Å; E239-S244 PolarHBondContact O-OG 3.47Å
240	I	51.6	Low	52.2	Low	55 Å²	55	70.4 Å²	70.4	28%	0.282	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-43	171.3	-67	165.3	0	0	0	110.4	T236 L237 K242 G243 L246 M254	T236-I240 HydrophobicContact CG2-CD1 4.31Å; T236-I240 VanDerWaalsContact O-CG1 3.32Å; T236-I240 WeakPolarHBondContact O-CG1 3.25Å; T236-I240 PolarHBondContact O-N 3.3Å; L237-I240 PolarHBondContact O-N 3.38Å; I240-K242 PolarHBondContact O-N 2.94Å; I240-G243 PolarHBondContact O-N 2.99Å; I240-L246 HydrophobicContact CD1-CD1 4.16Å; I240-L246 HydrophobicContact CD1-CD2 3.94Å; I240-L246 HydrophobicContact CD1-CG 4.04Å; I240-L246 HydrophobicContact CG1-CG 4.23Å; I240-M254 HydrophobicContact CD1-CG 3.96Å; I240-M254 HydrophobicContact CD1-SD 4.23Å
241	L	47.4	Very low	52.4	Low	92 Å²	92	69.7 Å²	69.7	48%	0.482	41%	0.41	S	S	.	.	H	α-helix	trans	-65.6	-19.3	176.9	-71.5	170	0	0	0	113.2	M204 L237 A238 E239 G243	M204-L241 HydrophobicContact CE-CD1 4.38Å; M204-L241 HydrophobicContact CE-CD2 4.43Å; L237-L241 VanDerWaalsContact O-CG 3.31Å; L237-L241 WeakPolarHBondContact O-CG 3.24Å; L237-L241 PolarHBondContact O-N 2.82Å; A238-L241 PolarHBondContact O-N 3.47Å; E239-L241 VanDerWaalsContact C-N 3.31Å; E239-L241 PolarHBondContact O-N 2.81Å; L241-G243 VanDerWaalsContact C-N 3.33Å
242	K	53.1	Low	52.5	Low	149 Å²	149	66.7 Å²	66.7	65%	0.648	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.2	172.2	-69.6	172.2	-169.1	170.2	0	114	A238 E239 I240	A238-K242 WeakPolarHBondContact O-CG 3.45Å; A238-K242 PolarHBondContact O-N 3.06Å; E239-K242 WeakPolarHBondContact O-CB 3.1Å; E239-K242 PolarHBondContact O-N 2.99Å; E239-K242 VanDerWaalsContact O-N 3.09Å; E239-K242 IonicContact OE1-NZ 2.71Å; E239-K242 PolarHBondContact OE1-NZ 3.25Å; I240-K242 PolarHBondContact O-N 2.94Å
243	G	46.1	Very low	52.3	Low	70 Å²	70	67 Å²	67	72%	0.722	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	15.3	176.2	0	0	0	0	0	115.2	I240 L241	I240-G243 PolarHBondContact O-N 2.99Å; L241-G243 VanDerWaalsContact C-N 3.33Å
244	S	53.2	Low	52.2	Low	56 Å²	56	68.3 Å²	68.3	39%	0.392	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-76.5	137.2	175.6	-51.3	0	0	0	0	111	E239	E239-S244 WeakPolarHBondContact O-CB 3.33Å; E239-S244 PolarHBondContact O-N 3.33Å; E239-S244 PolarHBondContact O-OG 3.47Å
245	A	52.9	Low	52	Low	93 Å²	93	72.1 Å²	72.1	77%	0.769	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-76.1	135.1	172.7	0	0	0	0	0	110.6	T247	A245-T247 PolarHBondContact O-N 3.33Å
246	L	54.3	Low	51.7	Low	92 Å²	92	70.5 Å²	70.5	48%	0.482	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-59.4	123.8	176	-84.3	137.9	0	0	0	111.6	I240 E250 M254	I240-L246 HydrophobicContact CD1-CD1 4.16Å; I240-L246 HydrophobicContact CD1-CD2 3.94Å; I240-L246 HydrophobicContact CD1-CG 4.04Å; I240-L246 HydrophobicContact CG1-CG 4.23Å; L246-E250 VanDerWaalsContact CD2-C 3.41Å; L246-E250 HydrophobicContact CD2-CB 3.7Å; L246-E250 WeakPolarHBondContact CD2-O 3.15Å; L246-M254 HydrophobicContact CD2-CG 4.14Å
247	T	57.2	Low	51.1	Low	76 Å²	76	70.5 Å²	70.5	47%	0.466	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-70.8	160.5	157.4	63.7	0	0	0	0	110.1	A245 E249 E250 G251	A245-T247 PolarHBondContact O-N 3.33Å; T247-E249 PolarHBondContact O-N 3.14Å; T247-E250 WeakPolarHBondContact CB-OE2 3.22Å; T247-E250 WeakPolarHBondContact CG2-OE2 3.22Å; T247-E250 PolarHBondContact N-OE2 2.77Å; T247-E250 PolarHBondContact O-N 2.88Å; T247-E250 VanDerWaalsContact O-N 3.15Å; T247-E250 WeakPolarHBondContact OG1-CG 3.47Å; T247-E250 PolarHBondContact OG1-N 2.85Å; T247-E250 PolarHBondContact OG1-OE2 3.05Å; T247-G251 PolarHBondContact O-N 2.95Å
248	A	51.5	Low	50.7	Low	100 Å²	100	72.4 Å²	72.4	83%	0.826	44%	0.439	S	S	*	.	H	α-helix	trans	-62.2	-29.7	178.9	0	0	0	0	0	113.3
249	E	52.7	Low	50.3	Low	160 Å²	160	76.6 Å²	76.6	75%	0.748	46%	0.456	S	S	*	.	H	α-helix	trans	-68.3	-44.4	172.1	-94.3	176.7	151.9	0	0	111.5	T247 G251 A252 D253	T247-E249 PolarHBondContact O-N 3.14Å; E249-G251 PolarHBondContact O-N 3.39Å; E249-A252 PolarHBondContact O-N 2.83Å; E249-A252 VanDerWaalsContact O-N 3.12Å; E249-D253 PolarHBondContact O-N 3.17Å
250	E	49.5	Very low	49.7	Very low	52 Å²	52	74.9 Å²	74.9	24%	0.243	46%	0.455	C	S	.	.	H	α-helix	trans	-65.7	-26.2	177.8	-67.7	164.4	141.8	0	0	112.4	T236 L246 T247 D253 M254	T236-E250 HydrophobicContact CG2-CB 3.84Å; T236-E250 HydrophobicContact CG2-CG 3.94Å; L246-E250 VanDerWaalsContact CD2-C 3.41Å; L246-E250 HydrophobicContact CD2-CB 3.7Å; L246-E250 WeakPolarHBondContact CD2-O 3.15Å; T247-E250 WeakPolarHBondContact CB-OE2 3.22Å; T247-E250 WeakPolarHBondContact CG2-OE2 3.22Å; T247-E250 PolarHBondContact N-OE2 2.77Å; T247-E250 PolarHBondContact O-N 2.88Å; T247-E250 VanDerWaalsContact O-N 3.15Å; T247-E250 WeakPolarHBondContact OG1-CG 3.47Å; T247-E250 PolarHBondContact OG1-N 2.85Å; T247-E250 PolarHBondContact OG1-OE2 3.05Å; E250-D253 PolarHBondContact O-N 3.18Å; E250-M254 PolarHBondContact O-N 2.77Å
251	G	52.9	Low	49	Very low	26 Å²	26	75.8 Å²	75.8	27%	0.268	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-41.2	171.1	0	0	0	0	0	113.5	T247 E249 M254 D255	T247-G251 PolarHBondContact O-N 2.95Å; E249-G251 PolarHBondContact O-N 3.39Å; G251-M254 WeakPolarHBondContact O-CB 2.97Å; G251-M254 PolarHBondContact O-N 3.15Å; G251-D255 PolarHBondContact O-N 2.92Å
252	A	53	Low	48.6	Very low	55 Å²	55	76.8 Å²	76.8	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-69.7	-33.7	176.1	0	0	0	0	0	112.1	E249 M254 D255 V256	E249-A252 PolarHBondContact O-N 2.83Å; E249-A252 VanDerWaalsContact O-N 3.12Å; A252-M254 VanDerWaalsContact C-N 3.34Å; A252-D255 WeakPolarHBondContact O-CB 3.2Å; A252-D255 PolarHBondContact O-N 3.42Å; A252-V256 PolarHBondContact O-N 2.92Å; A252-V256 VanDerWaalsContact O-N 3.16Å
253	D	50.9	Low	47.6	Very low	62 Å²	62	70.8 Å²	70.8	33%	0.332	45%	0.453	S	S	.	.	H	α-helix	trans	-70.4	-30.9	174.1	-73.9	-28.2	0	0	0	112.3	E249 E250 V256 L257	E249-D253 PolarHBondContact O-N 3.17Å; E250-D253 PolarHBondContact O-N 3.18Å; D253-V256 WeakPolarHBondContact O-CB 3.4Å; D253-V256 PolarHBondContact O-N 3.36Å; D253-L257 PolarHBondContact O-N 2.94Å
254	M	49.3	Very low	47.3	Very low	33 Å²	33	76.9 Å²	76.9	16%	0.163	46%	0.456	C	S	.	.	H	α-helix	trans	-65.3	-36.2	169.7	-96.4	-62	-62.4	0	0	112.8	L237 I240 L246 E250 G251 A252 V256 L257 M258	L237-M254 HydrophobicContact CD1-SD 3.76Å; I240-M254 HydrophobicContact CD1-CG 3.96Å; I240-M254 HydrophobicContact CD1-SD 4.23Å; L246-M254 HydrophobicContact CD2-CG 4.14Å; E250-M254 PolarHBondContact O-N 2.77Å; G251-M254 WeakPolarHBondContact O-CB 2.97Å; G251-M254 PolarHBondContact O-N 3.15Å; A252-M254 VanDerWaalsContact C-N 3.34Å; M254-V256 VanDerWaalsContact C-N 3.31Å; M254-L257 WeakPolarHBondContact O-CB 3.39Å; M254-L257 PolarHBondContact O-N 2.84Å; M254-L257 HydrophobicContact SD-CB 4.41Å; M254-L257 HydrophobicContact SD-CD1 4.2Å; M254-M258 HydrophobicContact CE-CE 3.95Å; M254-M258 HydrophobicContact CE-CG 4.46Å; M254-M258 WeakPolarHBondContact O-CB 3.46Å; M254-M258 WeakPolarHBondContact O-CG 3.48Å; M254-M258 PolarHBondContact O-N 3Å
255	D	48.7	Very low	47	Very low	111 Å²	111	77 Å²	77	59%	0.594	46%	0.456	S	S	*	.	H	α-helix	trans	-64.8	-36.9	171.8	-75.6	-21	0	0	0	111.2	G251 A252 M258 D259	G251-D255 PolarHBondContact O-N 2.92Å; A252-D255 WeakPolarHBondContact O-CB 3.2Å; A252-D255 PolarHBondContact O-N 3.42Å; D255-M258 PolarHBondContact O-N 2.93Å; D255-D259 WeakPolarHBondContact O-CB 3.33Å; D255-D259 PolarHBondContact O-N 3.25Å
256	V	48	Very low	47.2	Very low	51 Å²	51	74.3 Å²	74.3	31%	0.309	43%	0.431	S	S	.	.	H	α-helix	trans	-66.5	-37.9	173	174.7	0	0	0	0	111.7	A252 D253 M254 D259 A260	A252-V256 PolarHBondContact O-N 2.92Å; A252-V256 VanDerWaalsContact O-N 3.16Å; D253-V256 WeakPolarHBondContact O-CB 3.4Å; D253-V256 PolarHBondContact O-N 3.36Å; M254-V256 VanDerWaalsContact C-N 3.31Å; V256-D259 PolarHBondContact O-N 3.06Å; V256-A260 WeakPolarHBondContact O-CB 3.44Å; V256-A260 PolarHBondContact O-N 3.31Å
257	L	43.1	Very low	48.2	Very low	13 Å²	13	71 Å²	71	7%	0.068	41%	0.414	C	S	.	.	H	α-helix	trans	-67.1	-41.3	175.6	-143.8	161.4	0	0	0	110.7	A233 L237 D253 M254 A260 T261	A233-L257 HydrophobicContact CB-CB 3.91Å; A233-L257 HydrophobicContact CB-CD1 3.42Å; A233-L257 VanDerWaalsContact CB-CD1 3.42Å; A233-L257 HydrophobicContact CB-CG 3.48Å; A233-L257 VanDerWaalsContact CB-CG 3.48Å; A233-L257 WeakPolarHBondContact O-CD1 3.39Å; L237-L257 HydrophobicContact CB-CD1 4.1Å; L237-L257 HydrophobicContact CD1-CD1 4.03Å; D253-L257 PolarHBondContact O-N 2.94Å; M254-L257 WeakPolarHBondContact O-CB 3.39Å; M254-L257 PolarHBondContact O-N 2.84Å; M254-L257 HydrophobicContact SD-CB 4.41Å; M254-L257 HydrophobicContact SD-CD1 4.2Å; L257-A260 CarbonylContact O-C 3.59Å; L257-A260 PolarHBondContact O-N 2.93Å; L257-T261 HydrophobicContact CD2-CG2 3.73Å; L257-T261 VanDerWaalsContact O-CB 3.31Å; L257-T261 WeakPolarHBondContact O-CB 3.42Å; L257-T261 WeakPolarHBondContact O-CG2 2.99Å; L257-T261 PolarHBondContact O-N 3.37Å; L257-T261 PolarHBondContact O-OG1 2.83Å
258	M	42.4	Very low	49.7	Very low	59 Å²	59	69.8 Å²	69.8	29%	0.291	40%	0.401	S	S	.	.	H	α-helix	trans	-62.4	-46.1	170.8	-76.7	-74.7	168.9	0	0	110.9	F200 M254 D255 A260 T261 V262	F200-M258 HydrophobicContact CD2-CE 4.11Å; F200-M258 HydrophobicContact CE1-CE 3.99Å; F200-M258 HydrophobicContact CE2-CE 3.4Å; F200-M258 HydrophobicContact CZ-CE 3.32Å; M254-M258 HydrophobicContact CE-CE 3.95Å; M254-M258 HydrophobicContact CE-CG 4.46Å; M254-M258 WeakPolarHBondContact O-CB 3.46Å; M254-M258 WeakPolarHBondContact O-CG 3.48Å; M254-M258 PolarHBondContact O-N 3Å; D255-M258 PolarHBondContact O-N 2.93Å; M258-A260 VanDerWaalsContact C-N 3.26Å; M258-A260 PolarHBondContact O-N 3.16Å; M258-T261 PolarHBondContact O-N 3.24Å; M258-V262 HydrophobicContact CB-CG2 4.38Å; M258-V262 WeakPolarHBondContact O-CA 3.39Å; M258-V262 WeakPolarHBondContact O-CB 3.33Å; M258-V262 WeakPolarHBondContact O-CG2 3.41Å; M258-V262 PolarHBondContact O-N 3.42Å; M258-V262 HydrophobicContact SD-CG2 3.75Å
259	D	43.9	Very low	51.8	Low	127 Å²	127	65.5 Å²	65.5	68%	0.679	36%	0.363	S	S	*	.	H	α-helix	trans	-62.9	-32.5	174.8	-87.8	-7	0	0	0	112.6	D255 V256 G263	D255-D259 WeakPolarHBondContact O-CB 3.33Å; D255-D259 PolarHBondContact O-N 3.25Å; V256-D259 PolarHBondContact O-N 3.06Å; D259-G263 PolarHBondContact O-N 2.79Å
260	A	41.4	Very low	53.9	Low	41 Å²	41	58 Å²	58	34%	0.339	33%	0.329	S	S	.	.	H	α-helix	trans	-83	-23.7	179.2	0	0	0	0	0	114.3	V256 L257 M258	V256-A260 WeakPolarHBondContact O-CB 3.44Å; V256-A260 PolarHBondContact O-N 3.31Å; L257-A260 CarbonylContact O-C 3.59Å; L257-A260 PolarHBondContact O-N 2.93Å; M258-A260 VanDerWaalsContact C-N 3.26Å; M258-A260 PolarHBondContact O-N 3.16Å
261	T	38.4	Very low	56.1	Low	73 Å²	73	55.6 Å²	55.6	45%	0.448	32%	0.317	S	S	.	.	H	α-helix	trans	-107.2	-21.6	-178.8	54.3	0	0	0	0	113.9	L257 M258	L257-T261 HydrophobicContact CD2-CG2 3.73Å; L257-T261 VanDerWaalsContact O-CB 3.31Å; L257-T261 WeakPolarHBondContact O-CB 3.42Å; L257-T261 WeakPolarHBondContact O-CG2 2.99Å; L257-T261 PolarHBondContact O-N 3.37Å; L257-T261 PolarHBondContact O-OG1 2.83Å; M258-T261 PolarHBondContact O-N 3.24Å
262	V	38.1	Very low	58.2	Low	113 Å²	113	55.6 Å²	55.6	69%	0.685	31%	0.311	S	S	*	.	H	α-helix	trans	-100.5	-17.5	176	-169.5	0	0	0	0	110.9	M258	M258-V262 HydrophobicContact CB-CG2 4.38Å; M258-V262 WeakPolarHBondContact O-CA 3.39Å; M258-V262 WeakPolarHBondContact O-CB 3.33Å; M258-V262 WeakPolarHBondContact O-CG2 3.41Å; M258-V262 PolarHBondContact O-N 3.42Å; M258-V262 HydrophobicContact SD-CG2 3.75Å
263	G	31.8	Very low	60.3	Low	23 Å²	23	53.2 Å²	53.2	24%	0.237	29%	0.291	C	S	.	.	S	Bend	trans	-81	151.4	157.5	0	0	0	0	0	110.8	D259	D259-G263 PolarHBondContact O-N 2.79Å
264	Y	39.5	Very low	62.4	Low	198 Å²	198	51 Å²	51	78%	0.776	28%	0.278	S	S	*	.	S	Bend	trans	103	35	159.1	-59.4	-85.2	0	0	0	119.8
265	S	48.3	Very low	64.6	Low	58 Å²	58	50.2 Å²	50.2	41%	0.406	28%	0.275	S	S	.	.				-167.4	129.1	118.1	-167.9	0	0	0	0	108	W268	S265-W268 WeakPolarHBondContact OG-CH2 3.07Å; S265-W268 WeakPolarHBondContact OG-CZ2 3.42Å
266	P	57.4	Low	66.7	Low	37 Å²	37	45 Å²	45	24%	0.24	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-64.1	145.2	169.3	28.7	-33.1	0	0	0	109.3	N318 I320	P266-N318 WeakPolarHBondContact CA-O 3.43Å; P266-N318 HydrophobicContact CB-CB 4.34Å; P266-N318 WeakPolarHBondContact CB-O 3.47Å; P266-I320 HydrophobicContact CB-CD1 4.06Å; P266-I320 HydrophobicContact CB-CG1 3.83Å; P266-I320 HydrophobicContact CG-CD1 3.27Å; P266-I320 HydrophobicContact CG-CG1 3.64Å
267	D	75.2	Confident	68.6	Low	24 Å²	24	44.6 Å²	44.6	13%	0.128	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.5	165.9	-71.8	-23.2	0	0	0	108.5	Y269 E317 N318 I320	D267-Y269 HydrophobicContact CB-CD2 4.32Å; D267-Y269 HydrophobicContact CB-CE2 3.53Å; D267-E317 VanDerWaalsContact OD2-CD 3.32Å; D267-N318 PolarHBondContact N-O 3.15Å; D267-I320 PolarHBondContact O-N 3.18Å
268	W	88.3	Confident	70.7	Confident	50 Å²	50	47.9 Å²	47.9	19%	0.189	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.9	-180	-58.2	-76.1	0	0	0	108.9	S265 L294 I320 F454	S265-W268 WeakPolarHBondContact OG-CH2 3.07Å; S265-W268 WeakPolarHBondContact OG-CZ2 3.42Å; W268-L294 HydrophobicContact CB-CB 4.06Å; W268-L294 HydrophobicContact CB-CD1 4.03Å; W268-L294 HydrophobicContact CB-CD2 3.67Å; W268-L294 HydrophobicContact CB-CG 4.11Å; W268-L294 HydrophobicContact CG-CD2 4.38Å; W268-L294 WeakPolarHBondContact O-CD1 3.44Å; W268-L294 PolarHBondContact O-N 3.07Å; W268-I320 CarbonylContact C-O 3.59Å; W268-I320 WeakPolarHBondContact CA-O 3.36Å; W268-F454 HydrophobicContact CB-CE2 4.32Å; W268-F454 AromaticContact CD1-CE2 3.77Å; W268-F454 HydrophobicContact CD2-CD2 4.35Å; W268-F454 AromaticContact CD2-CE2 3.95Å; W268-F454 HydrophobicContact CD2-CE2 3.95Å; W268-F454 AromaticContact CG-CE2 3.75Å; W268-F454 HydrophobicContact CG-CE2 3.75Å; W268-F454 AromaticContact NE1-CE2 3.95Å
269	Y	95	Very high	72.6	Confident	9 Å²	9	54 Å²	54	4%	0.035	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.6	174.7	-64.8	-95.6	0	0	0	110.2	D267 D271 C291 V292 E293 M315 V319 I320 C321 Y322	D267-Y269 HydrophobicContact CB-CD2 4.32Å; D267-Y269 HydrophobicContact CB-CE2 3.53Å; Y269-D271 WeakPolarHBondContact CB-OD1 3.5Å; Y269-C291 WeakPolarHBondContact CD1-SG 3.03Å; Y269-V292 CarbonylContact C-O 3.4Å; Y269-V292 WeakPolarHBondContact CA-O 3.23Å; Y269-E293 VanDerWaalsContact CD1-CA 3.45Å; Y269-E293 HydrophobicContact CD1-CB 3.85Å; Y269-E293 HydrophobicContact CD1-CG 4.4Å; Y269-E293 HydrophobicContact CE1-CB 3.46Å; Y269-E293 VanDerWaalsContact CE1-CB 3.46Å; Y269-E293 HydrophobicContact CE1-CG 3.87Å; Y269-M315 HydrophobicContact CE1-CE 3.97Å; Y269-M315 HydrophobicContact CE2-CE 3.84Å; Y269-M315 HydrophobicContact CE2-SD 4.01Å; Y269-M315 VanDerWaalsContact CZ-CE 3.44Å; Y269-M315 VanDerWaalsContact OH-CE 3.31Å; Y269-M315 WeakPolarHBondContact OH-CE 3.35Å; Y269-V319 HydrophobicContact CD2-CG1 3.43Å; Y269-V319 VanDerWaalsContact CD2-CG1 3.43Å; Y269-V319 HydrophobicContact CE2-CG1 3.69Å; Y269-I320 PolarHBondContact N-O 3.28Å; Y269-C321 CarbonylContact O-C 3.51Å; Y269-Y322 PolarHBondContact O-N 2.94Å
270	D	96.8	Very high	74.5	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.1	162	-169	75.6	0	0	0	109.1	V292 L294 V443 V446 K447 L450	D270-V292 HydrophobicContact CB-CG1 4.12Å; D270-V292 PolarHBondContact N-O 2.9Å; D270-V292 WeakPolarHBondContact O-CG1 3.29Å; D270-V292 PolarHBondContact O-N 3.16Å; D270-L294 HydrophobicContact CB-CD1 4.31Å; D270-V443 VanDerWaalsContact OD2-CA 3.32Å; D270-V443 WeakPolarHBondContact OD2-CA 3.39Å; D270-V446 WeakPolarHBondContact OD1-CG1 3.42Å; D270-V446 WeakPolarHBondContact OD2-CB 3.43Å; D270-K447 HydrophobicContact CB-CB 3.87Å; D270-L450 HydrophobicContact CB-CD1 4.43Å
271	D	97.1	Very high	76.7	Confident	1 Å²	1	50 Å²	50	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.7	-164	-61.6	-8.7	0	0	0	110.5	Y269 A290 C291 M308 C321 Y322 F323	Y269-D271 WeakPolarHBondContact CB-OD1 3.5Å; D271-A290 WeakPolarHBondContact CA-O 3.42Å; D271-C291 WeakPolarHBondContact OD1-CA 3.49Å; D271-C291 PolarHBondContact OD1-SG 3.49Å; D271-M308 HydrophobicContact CB-CE 3.74Å; D271-M308 WeakPolarHBondContact OD2-CE 3.4Å; D271-C321 WeakPolarHBondContact OD2-CB 3.19Å; D271-C321 PolarHBondContact OD2-SG 3.48Å; D271-Y322 PolarHBondContact N-O 3.09Å; D271-F323 HydrophobicContact CB-CD1 4.21Å; D271-F323 HydrophobicContact CB-CD2 3.92Å; D271-F323 HydrophobicContact CB-CE1 3.76Å; D271-F323 HydrophobicContact CB-CE2 3.39Å; D271-F323 HydrophobicContact CB-CG 4.3Å; D271-F323 HydrophobicContact CB-CZ 3.32Å; D271-F323 WeakPolarHBondContact O-CD1 3.11Å; D271-F323 WeakPolarHBondContact OD2-CE2 3.45Å
272	D	96.7	Very high	79.2	Confident	26 Å²	26	52 Å²	52	14%	0.139	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	156.8	177	-163.1	30	0	0	0	112	A289 A290 V443	D272-A289 WeakPolarHBondContact O-CA 3.48Å; D272-A290 PolarHBondContact N-O 3.22Å; D272-A290 VanDerWaalsContact N-O 3.13Å; D272-A290 PolarHBondContact O-N 2.89Å; D272-V443 HydrophobicContact CB-CG1 3.5Å
273	F	96.5	Very high	81.8	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.6	177.7	-72.3	-25.3	0	0	0	112.5	T275 V286 A289 I305 M308 F323 D329 F332 W333	F273-T275 HydrophobicContact CB-CG2 4.4Å; F273-V286 HydrophobicContact CB-CG1 4.15Å; F273-V286 HydrophobicContact CB-CG2 4.28Å; F273-V286 HydrophobicContact CD1-CG1 3.68Å; F273-V286 HydrophobicContact CD1-CG2 4.32Å; F273-V286 HydrophobicContact CD2-CG2 3.76Å; F273-V286 HydrophobicContact CE1-CG1 4.1Å; F273-V286 HydrophobicContact CE2-CG2 4.02Å; F273-V286 HydrophobicContact CG-CG1 3.91Å; F273-V286 HydrophobicContact CG-CG2 3.9Å; F273-V286 HydrophobicContact CZ-CG2 4.37Å; F273-A289 HydrophobicContact CD1-CB 3.5Å; F273-A289 HydrophobicContact CE1-CB 3.54Å; F273-I305 HydrophobicContact CE1-CG1 4.49Å; F273-I305 HydrophobicContact CE2-CD1 3.88Å; F273-I305 HydrophobicContact CE2-CG1 4.43Å; F273-I305 HydrophobicContact CZ-CB 4.4Å; F273-I305 HydrophobicContact CZ-CD1 3.74Å; F273-I305 HydrophobicContact CZ-CG1 3.79Å; F273-M308 HydrophobicContact CE1-SD 3.69Å; F273-M308 HydrophobicContact CZ-SD 4.43Å; F273-F323 HydrophobicContact CD1-CE1 4.02Å; F273-F323 HydrophobicContact CD1-CZ 4.45Å; F273-F323 HydrophobicContact CD2-CE1 4.02Å; F273-F323 HydrophobicContact CE1-CE1 4.1Å; F273-F323 HydrophobicContact CE1-CZ 4.09Å; F273-F323 HydrophobicContact CE2-CE1 4.1Å; F273-F323 HydrophobicContact CE2-CZ 4.32Å; F273-F323 HydrophobicContact CG-CE1 4.01Å; F273-F323 HydrophobicContact CZ-CE1 4.16Å; F273-F323 HydrophobicContact CZ-CZ 4.04Å; F273-D329 HydrophobicContact CD2-CB 3.8Å; F273-D329 HydrophobicContact CE2-CB 4.35Å; F273-F332 HydrophobicContact CD2-CB 4.34Å; F273-F332 HydrophobicContact CE2-CB 4.19Å; F273-W333 HydrophobicContact CE1-CZ2 4.09Å; F273-W333 AromaticContact CE2-CD1 3.66Å; F273-W333 HydrophobicContact CE2-CD2 4.26Å; F273-W333 AromaticContact CE2-CE2 3.84Å; F273-W333 HydrophobicContact CE2-CG 4.18Å; F273-W333 HydrophobicContact CE2-CZ2 4.42Å; F273-W333 AromaticContact CE2-NE1 3.43Å; F273-W333 AromaticContact CZ-CD1 3.95Å; F273-W333 HydrophobicContact CZ-CD2 4.01Å; F273-W333 AromaticContact CZ-CE2 3.29Å; F273-W333 HydrophobicContact CZ-CG 4.39Å; F273-W333 HydrophobicContact CZ-CH2 4.25Å; F273-W333 AromaticContact CZ-CZ2 3.45Å; F273-W333 HydrophobicContact CZ-CZ2 3.45Å; F273-W333 VanDerWaalsContact CZ-CZ2 3.45Å; F273-W333 AromaticContact CZ-NE1 3.26Å; F273-W333 VanDerWaalsContact CZ-NE1 3.26Å
274	E	95.2	Very high	84.8	Confident	14 Å²	14	49.9 Å²	49.9	7%	0.065	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.1	161.4	-61.9	-58.5	150.2	0	0	110.9	V286 W287 A288 M419 Y438 I439	E274-V286 WeakPolarHBondContact O-CA 3.2Å; E274-W287 HydrophobicContact CB-CD2 4.16Å; E274-W287 HydrophobicContact CB-CH2 4.14Å; E274-W287 HydrophobicContact CB-CZ2 3.31Å; E274-W287 HydrophobicContact CG-CH2 4.39Å; E274-W287 HydrophobicContact CG-CZ2 3.85Å; E274-W287 PolarHBondContact O-N 3.47Å; E274-A288 HydrophobicContact CB-CB 4.18Å; E274-A288 PolarHBondContact N-O 2.86Å; E274-A288 PolarHBondContact O-N 2.95Å; E274-M419 HydrophobicContact CG-CE 4.18Å; E274-M419 WeakPolarHBondContact OE2-CE 3.38Å; E274-Y438 VanDerWaalsContact OE1-CE1 3.32Å; E274-Y438 WeakPolarHBondContact OE1-CE1 3.37Å; E274-I439 HydrophobicContact CG-CD1 3.75Å; E274-I439 HydrophobicContact CG-CG1 3.66Å
275	T	94.6	Very high	87.4	Confident	17 Å²	17	43.6 Å²	43.6	10%	0.104	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.4	-168.1	63.2	0	0	0	0	111.5	F273 E285 V286 W287 F328 F332	F273-T275 HydrophobicContact CB-CG2 4.4Å; T275-E285 WeakPolarHBondContact CA-O 3.38Å; T275-V286 HydrophobicContact CG2-CG2 4.31Å; T275-W287 PolarHBondContact O-NE1 2.99Å; T275-F328 HydrophobicContact CG2-CE1 3.99Å; T275-F328 HydrophobicContact CG2-CZ 4.28Å; T275-F332 HydrophobicContact CG2-CD1 4.21Å; T275-F332 HydrophobicContact CG2-CD2 4.21Å; T275-F332 HydrophobicContact CG2-CE1 3.59Å; T275-F332 HydrophobicContact CG2-CE2 3.65Å; T275-F332 HydrophobicContact CG2-CG 4.49Å; T275-F332 HydrophobicContact CG2-CZ 3.3Å
276	T	92.9	Very high	89.7	Confident	2 Å²	2	41 Å²	41	1%	0.012	22%	0.216	C	C	.	.			trans	-72.3	132.9	-176.6	55	0	0	0	0	111.6	Q281 T284 E285 W287 R425	T276-Q281 PolarHBondContact O-NE2 3.5Å; T276-Q281 PolarHBondContact O-OE1 3.05Å; T276-Q281 PolarHBondContact OG1-NE2 3.39Å; T276-T284 PolarHBondContact OG1-OG1 2.88Å; T276-E285 HydrophobicContact CG2-CG 3.7Å; T276-E285 PolarHBondContact N-O 2.88Å; T276-E285 PolarHBondContact OG1-N 2.61Å; T276-W287 HydrophobicContact CG2-CB 4.32Å; T276-R425 VanDerWaalsContact CG2-O 3.22Å; T276-R425 WeakPolarHBondContact CG2-O 3.45Å
277	V	88.5	Confident	91.6	Very high	43 Å²	43	39.3 Å²	39.3	26%	0.261	21%	0.205	S	C	.	.			trans	-136.6	109.1	177.5	-175.6	0	0	0	0	110.5	Q281 T422 G423 L906	V277-Q281 VanDerWaalsContact CA-OE1 3.29Å; V277-T422 HydrophobicContact CG1-CG2 4.37Å; V277-G423 PolarHBondContact O-N 3.43Å; V277-L906 HydrophobicContact CG1-CD1 4.45Å; V277-L906 HydrophobicContact CG2-CD1 4.36Å
278	Y	86.8	Confident	92.5	Very high	82 Å²	82	38.2 Å²	38.2	32%	0.322	20%	0.199	S	C	.	.			trans	-148.4	161.6	174.2	59.5	-89.8	0	0	0	113	Q281 H283	Y278-Q281 HydrophobicContact CD1-CB 4.41Å; Y278-Q281 HydrophobicContact CD1-CG 4.28Å; Y278-Q281 HydrophobicContact CD2-CB 3.89Å; Y278-Q281 HydrophobicContact CD2-CG 4.48Å; Y278-Q281 HydrophobicContact CE1-CB 4.21Å; Y278-Q281 HydrophobicContact CE1-CG 3.76Å; Y278-Q281 HydrophobicContact CE2-CB 3.67Å; Y278-Q281 HydrophobicContact CE2-CG 3.99Å; Y278-Q281 HydrophobicContact CG-CB 4.25Å; Y278-Q281 VanDerWaalsContact O-CB 3.23Å; Y278-Q281 WeakPolarHBondContact O-CB 3.46Å; Y278-Q281 PolarHBondContact O-N 2.89Å; Y278-H283 PolarHBondContact OH-CE1 3.36Å
279	K	81.7	Confident	93	Very high	186 Å²	186	35.8 Å²	35.8	81%	0.809	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	133.7	-177.8	-170.8	173.3	-176.3	169.8	0	111	Q281 E863	K279-Q281 VanDerWaalsContact C-N 3.29Å; K279-Q281 PolarHBondContact O-N 2.81Å; K279-E863 IonicContact NZ-OE2 3.32Å
280	G	84.3	Confident	93.1	Very high	75 Å²	75	35.4 Å²	35.4	77%	0.773	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	10.8	177.5	0	0	0	0	0	115	D282	G280-D282 PolarHBondContact O-N 3.2Å
281	Q	88	Confident	93	Very high	11 Å²	11	35.2 Å²	35.2	5%	0.051	19%	0.188	C	C	.	.			trans	-58.6	125.2	-178.6	-177.2	171.8	-13.7	0	0	113.3	T276 V277 Y278 K279 H283 T284 I901 L906	T276-Q281 PolarHBondContact O-NE2 3.5Å; T276-Q281 PolarHBondContact O-OE1 3.05Å; T276-Q281 PolarHBondContact OG1-NE2 3.39Å; V277-Q281 VanDerWaalsContact CA-OE1 3.29Å; Y278-Q281 HydrophobicContact CD1-CB 4.41Å; Y278-Q281 HydrophobicContact CD1-CG 4.28Å; Y278-Q281 HydrophobicContact CD2-CB 3.89Å; Y278-Q281 HydrophobicContact CD2-CG 4.48Å; Y278-Q281 HydrophobicContact CE1-CB 4.21Å; Y278-Q281 HydrophobicContact CE1-CG 3.76Å; Y278-Q281 HydrophobicContact CE2-CB 3.67Å; Y278-Q281 HydrophobicContact CE2-CG 3.99Å; Y278-Q281 HydrophobicContact CG-CB 4.25Å; Y278-Q281 VanDerWaalsContact O-CB 3.23Å; Y278-Q281 WeakPolarHBondContact O-CB 3.46Å; Y278-Q281 PolarHBondContact O-N 2.89Å; K279-Q281 VanDerWaalsContact C-N 3.29Å; K279-Q281 PolarHBondContact O-N 2.81Å; Q281-H283 VanDerWaalsContact CD-O 3.31Å; Q281-H283 WeakPolarHBondContact CG-O 3.18Å; Q281-H283 PolarHBondContact NE2-O 3.25Å; Q281-T284 PolarHBondContact NE2-OG1 3.06Å; Q281-I901 HydrophobicContact CG-CD1 4.09Å; Q281-L906 HydrophobicContact CB-CD2 4.1Å; Q281-L906 HydrophobicContact CG-CD2 4.28Å
282	D	91.3	Very high	92.9	Very high	113 Å²	113	35.2 Å²	35.2	60%	0.604	19%	0.188	S	C	*	.	S	Bend	trans	-109.3	-10.4	-179.9	65.4	-8.5	0	0	0	113.5	G280 P902	G280-D282 PolarHBondContact O-N 3.2Å; D282-P902 VanDerWaalsContact O-CD 3.3Å; D282-P902 WeakPolarHBondContact O-CD 3.45Å
283	H	92.2	Very high	92.7	Very high	87 Å²	87	36.3 Å²	36.3	40%	0.403	19%	0.192	S	C	.	.			trans	-142.9	156.6	171.3	65	-75.9	0	0	0	110.2	Y278 Q281 P902	Y278-H283 PolarHBondContact OH-CE1 3.36Å; Q281-H283 VanDerWaalsContact CD-O 3.31Å; Q281-H283 WeakPolarHBondContact CG-O 3.18Å; Q281-H283 PolarHBondContact NE2-O 3.25Å; H283-P902 CarbonylContact C-O 3.52Å; H283-P902 WeakPolarHBondContact CA-O 3.19Å; H283-P902 HydrophobicContact CB-CB 4.32Å
284	T	94.8	Very high	92.4	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.031	19%	0.192	C	C	.	.			trans	-130.8	154	175.5	-174.3	0	0	0	0	110.5	T276 Q281 F332 I901 P902 G903	T276-T284 PolarHBondContact OG1-OG1 2.88Å; Q281-T284 PolarHBondContact NE2-OG1 3.06Å; T284-F332 HydrophobicContact CG2-CD1 4.43Å; T284-F332 HydrophobicContact CG2-CE1 3.49Å; T284-F332 VanDerWaalsContact CG2-CE1 3.49Å; T284-F332 HydrophobicContact CG2-CZ 3.83Å; T284-F332 WeakPolarHBondContact OG1-CE1 3.17Å; T284-I901 HydrophobicContact CG2-CD1 4.15Å; T284-I901 HydrophobicContact CG2-CG1 3.8Å; T284-P902 PolarHBondContact N-O 3.05Å; T284-G903 WeakPolarHBondContact O-CA 3.46Å
285	E	94.6	Very high	92	Very high	67 Å²	67	41 Å²	41	31%	0.313	21%	0.212	S	C	.	.			trans	-147.4	163.3	176.8	62.3	179.7	176.9	0	0	110.9	T275 T276 Y426 A427	T275-E285 WeakPolarHBondContact CA-O 3.38Å; T276-E285 HydrophobicContact CG2-CG 3.7Å; T276-E285 PolarHBondContact N-O 2.88Å; T276-E285 PolarHBondContact OG1-N 2.61Å; E285-Y426 WeakPolarHBondContact OE1-CA 3.32Å; E285-A427 PolarHBondContact OE1-N 3.13Å; E285-A427 WeakPolarHBondContact OE2-CB 3.29Å
286	V	96.7	Very high	91.7	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.8	172.1	177.5	0	0	0	0	107.7	F273 E274 T275 A288 A289 I305 F332	F273-V286 HydrophobicContact CB-CG1 4.15Å; F273-V286 HydrophobicContact CB-CG2 4.28Å; F273-V286 HydrophobicContact CD1-CG1 3.68Å; F273-V286 HydrophobicContact CD1-CG2 4.32Å; F273-V286 HydrophobicContact CD2-CG2 3.76Å; F273-V286 HydrophobicContact CE1-CG1 4.1Å; F273-V286 HydrophobicContact CE2-CG2 4.02Å; F273-V286 HydrophobicContact CG-CG1 3.91Å; F273-V286 HydrophobicContact CG-CG2 3.9Å; F273-V286 HydrophobicContact CZ-CG2 4.37Å; E274-V286 WeakPolarHBondContact O-CA 3.2Å; T275-V286 HydrophobicContact CG2-CG2 4.31Å; V286-A288 WeakPolarHBondContact CG1-O 3Å; V286-A289 HydrophobicContact CG1-CB 4.19Å; V286-I305 HydrophobicContact CB-CB 4Å; V286-I305 HydrophobicContact CB-CG2 4.5Å; V286-I305 HydrophobicContact CG1-CB 4.42Å; V286-I305 HydrophobicContact CG2-CB 4.12Å; V286-I305 HydrophobicContact CG2-CD1 4.33Å; V286-F332 HydrophobicContact CG2-CB 4.02Å; V286-F332 HydrophobicContact CG2-CD1 3.78Å; V286-F332 HydrophobicContact CG2-CG 4.02Å
287	W	95.4	Very high	91.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-21.5	178.1	65.7	-92.9	0	0	0	112.6	E274 T275 T276 H303 M419 R425 I431 E435 I439	E274-W287 HydrophobicContact CB-CD2 4.16Å; E274-W287 HydrophobicContact CB-CH2 4.14Å; E274-W287 HydrophobicContact CB-CZ2 3.31Å; E274-W287 HydrophobicContact CG-CH2 4.39Å; E274-W287 HydrophobicContact CG-CZ2 3.85Å; E274-W287 PolarHBondContact O-N 3.47Å; T275-W287 PolarHBondContact O-NE1 2.99Å; T276-W287 HydrophobicContact CG2-CB 4.32Å; W287-H303 CarbonylContact O-C 3.57Å; W287-H303 VanDerWaalsContact O-C 3.28Å; W287-M419 HydrophobicContact CH2-SD 4.44Å; W287-M419 HydrophobicContact CZ2-CE 4.1Å; W287-R425 HydrophobicContact CB-CB 4.21Å; W287-R425 HydrophobicContact CD2-CB 3.92Å; W287-R425 HydrophobicContact CD2-CG 4.3Å; W287-R425 HydrophobicContact CE3-CB 4.47Å; W287-R425 HydrophobicContact CG-CB 3.74Å; W287-I431 HydrophobicContact CE3-CG1 4.38Å; W287-I431 HydrophobicContact CZ3-CG1 4.01Å; W287-I431 HydrophobicContact CZ3-CG2 4.16Å; W287-E435 HydrophobicContact CH2-CB 4.4Å; W287-E435 HydrophobicContact CH2-CG 4.47Å; W287-I439 HydrophobicContact CH2-CD1 4.17Å
288	A	96.1	Very high	91.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.4	167.8	0	0	0	0	0	110.8	E274 V286 F302 I431 I439	E274-A288 HydrophobicContact CB-CB 4.18Å; E274-A288 PolarHBondContact N-O 2.86Å; E274-A288 PolarHBondContact O-N 2.95Å; V286-A288 WeakPolarHBondContact CG1-O 3Å; A288-F302 CarbonylContact C-O 3.54Å; A288-F302 VanDerWaalsContact CA-O 3.32Å; A288-F302 WeakPolarHBondContact CA-O 3.31Å; A288-I431 HydrophobicContact CB-CD1 3.59Å; A288-I431 HydrophobicContact CB-CG1 4.24Å; A288-I439 HydrophobicContact CB-CD1 3.68Å
289	A	97.2	Very high	91.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.7	172.4	0	0	0	0	0	109.6	D272 F273 V286 L301 F302 M308	D272-A289 WeakPolarHBondContact O-CA 3.48Å; F273-A289 HydrophobicContact CD1-CB 3.5Å; F273-A289 HydrophobicContact CE1-CB 3.54Å; V286-A289 HydrophobicContact CG1-CB 4.19Å; A289-L301 WeakPolarHBondContact O-CA 3.13Å; A289-F302 HydrophobicContact CB-CB 4.27Å; A289-F302 HydrophobicContact CB-CD2 4.45Å; A289-F302 PolarHBondContact N-O 3.43Å; A289-F302 PolarHBondContact O-N 2.92Å; A289-M308 HydrophobicContact CB-CB 4.18Å; A289-M308 HydrophobicContact CB-SD 3.75Å
290	A	97	Very high	92.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.1	176.2	0	0	0	0	0	111.5	D271 D272 V299 L300 L301 I439 V443	D271-A290 WeakPolarHBondContact CA-O 3.42Å; D272-A290 PolarHBondContact N-O 3.22Å; D272-A290 VanDerWaalsContact N-O 3.13Å; D272-A290 PolarHBondContact O-N 2.89Å; A290-V299 HydrophobicContact CB-CG1 4.31Å; A290-L300 VanDerWaalsContact CA-O 3.3Å; A290-L300 WeakPolarHBondContact CA-O 3.49Å; A290-L301 HydrophobicContact CB-CD2 3.66Å; A290-I439 HydrophobicContact CB-CG2 3.41Å; A290-I439 VanDerWaalsContact CB-CG2 3.41Å; A290-V443 HydrophobicContact CB-CG1 3.88Å; A290-V443 HydrophobicContact CB-CG2 4.24Å
291	C	95.5	Very high	93.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	130.5	179.4	-175.9	0	0	0	0	108.4	Y269 D271 L300 F302 M308	Y269-C291 WeakPolarHBondContact CD1-SG 3.03Å; D271-C291 WeakPolarHBondContact OD1-CA 3.49Å; D271-C291 PolarHBondContact OD1-SG 3.49Å; C291-L300 PolarHBondContact N-O 3.27Å; C291-L300 PolarHBondContact O-N 3.08Å; C291-F302 HydrophobicContact CB-CE2 3.84Å; C291-M308 HydrophobicContact CB-CE 3.9Å
292	V	94.8	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.1	174.4	62.8	0	0	0	0	110.3	Y269 D270 L294 V299 V443 L444 K447	Y269-V292 CarbonylContact C-O 3.4Å; Y269-V292 WeakPolarHBondContact CA-O 3.23Å; D270-V292 HydrophobicContact CB-CG1 4.12Å; D270-V292 PolarHBondContact N-O 2.9Å; D270-V292 WeakPolarHBondContact O-CG1 3.29Å; D270-V292 PolarHBondContact O-N 3.16Å; V292-L294 PolarHBondContact O-N 3.47Å; V292-V299 HydrophobicContact CB-CG2 4.07Å; V292-V299 HydrophobicContact CG2-CG2 4Å; V292-V443 HydrophobicContact CB-CG2 4.35Å; V292-V443 HydrophobicContact CG1-CB 3.89Å; V292-V443 HydrophobicContact CG1-CG2 3.9Å; V292-L444 HydrophobicContact CG2-CD2 4.14Å; V292-K447 HydrophobicContact CG1-CB 3.86Å; V292-K447 HydrophobicContact CG1-CG 3.94Å
293	E	92.6	Very high	93.8	Very high	49 Å²	49	37.9 Å²	37.9	23%	0.229	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	130.4	176.1	-166.7	-174.1	151.6	0	0	109.2	Y269 F295 T296	Y269-E293 VanDerWaalsContact CD1-CA 3.45Å; Y269-E293 HydrophobicContact CD1-CB 3.85Å; Y269-E293 HydrophobicContact CD1-CG 4.4Å; Y269-E293 HydrophobicContact CE1-CB 3.46Å; Y269-E293 VanDerWaalsContact CE1-CB 3.46Å; Y269-E293 HydrophobicContact CE1-CG 3.87Å; E293-F295 PolarHBondContact O-N 2.73Å; E293-T296 HydrophobicContact CB-CG2 3.84Å; E293-T296 WeakPolarHBondContact CB-OG1 3.49Å; E293-T296 HydrophobicContact CG-CG2 4.08Å; E293-T296 PolarHBondContact O-N 3.16Å; E293-T296 VanDerWaalsContact O-N 3.11Å; E293-T296 PolarHBondContact O-OG1 3Å
294	L	89.1	Confident	94	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	141.9	171.8	-88.3	63.4	0	0	0	109.4	W268 D270 V292 T296 K447 L450 E451 F454	W268-L294 HydrophobicContact CB-CB 4.06Å; W268-L294 HydrophobicContact CB-CD1 4.03Å; W268-L294 HydrophobicContact CB-CD2 3.67Å; W268-L294 HydrophobicContact CB-CG 4.11Å; W268-L294 HydrophobicContact CG-CD2 4.38Å; W268-L294 WeakPolarHBondContact O-CD1 3.44Å; W268-L294 PolarHBondContact O-N 3.07Å; D270-L294 HydrophobicContact CB-CD1 4.31Å; V292-L294 PolarHBondContact O-N 3.47Å; L294-T296 PolarHBondContact O-N 3.35Å; L294-K447 HydrophobicContact CD1-CG 4.32Å; L294-K447 HydrophobicContact CG-CG 4.41Å; L294-L450 HydrophobicContact CD2-CB 4.15Å; L294-E451 HydrophobicContact CB-CG 4.42Å; L294-E451 HydrophobicContact CG-CG 4.26Å; L294-F454 HydrophobicContact CD2-CD2 3.71Å; L294-F454 HydrophobicContact CD2-CE2 3.6Å; L294-F454 HydrophobicContact CD2-CZ 4.32Å
295	F	86.9	Confident	94.1	Very high	113 Å²	113	35.5 Å²	35.5	50%	0.496	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	12.5	-174.5	-48.1	-76.2	0	0	0	115.5	E293 E451 F454	E293-F295 PolarHBondContact O-N 2.73Å; F295-E451 WeakPolarHBondContact CA-OE1 3.21Å; F295-E451 HydrophobicContact CD1-CB 4.27Å; F295-E451 HydrophobicContact CD1-CG 3.82Å; F295-E451 HydrophobicContact CE1-CB 3.77Å; F295-E451 HydrophobicContact CE1-CG 3.72Å; F295-E451 HydrophobicContact CG-CG 4.34Å; F295-E451 HydrophobicContact CZ-CB 4.27Å; F295-E451 HydrophobicContact CZ-CG 4.14Å; F295-E451 PolarHBondContact N-OE1 3.42Å; F295-F454 HydrophobicContact CZ-CB 4.29Å
296	T	88.2	Confident	94.2	Very high	32 Å²	32	33 Å²	33	20%	0.196	17%	0.17	C	C	.	.			trans	-120.8	172.6	169.3	80	0	0	0	0	110.6	E293 L294 K447	E293-T296 HydrophobicContact CB-CG2 3.84Å; E293-T296 WeakPolarHBondContact CB-OG1 3.49Å; E293-T296 HydrophobicContact CG-CG2 4.08Å; E293-T296 PolarHBondContact O-N 3.16Å; E293-T296 VanDerWaalsContact O-N 3.11Å; E293-T296 PolarHBondContact O-OG1 3Å; L294-T296 PolarHBondContact O-N 3.35Å; T296-K447 WeakPolarHBondContact O-CE 3.23Å; T296-K447 PolarHBondContact O-NZ 3.44Å
297	E	87.7	Confident	94.3	Very high	83 Å²	83	36.7 Å²	36.7	39%	0.388	19%	0.187	S	C	.	.			trans	-117.4	10.7	171	-61.3	-87.1	117.9	0	0	110.9	V299 K413 H414 K447	E297-V299 PolarHBondContact O-N 2.66Å; E297-K413 IonicContact OE2-NZ 3.7Å; E297-K413 PolarHBondContact OE2-NZ 3.31Å; E297-H414 IonicContact OE2-CE1 3.96Å; E297-H414 PolarHBondContact OE2-CE1 2.89Å; E297-H414 VanDerWaalsContact OE2-CE1 3.3Å; E297-K447 IonicContact OE1-NZ 3.98Å; E297-K447 PolarHBondContact OE1-NZ 3.09Å
298	D	91.1	Very high	94.3	Very high	128 Å²	128	36.6 Å²	36.6	68%	0.684	19%	0.187	S	C	*	.			trans	-85.5	84.2	-170.6	-65.8	-30.4	0	0	0	109.6	L300	D298-L300 PolarHBondContact O-N 3.28Å
299	V	94.9	Very high	94.4	Very high	26 Å²	26	36.8 Å²	36.8	16%	0.158	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.2	176.9	-171.9	0	0	0	0	110.4	A290 V292 E297 L301 K440 V443 L444	A290-V299 HydrophobicContact CB-CG1 4.31Å; V292-V299 HydrophobicContact CB-CG2 4.07Å; V292-V299 HydrophobicContact CG2-CG2 4Å; E297-V299 PolarHBondContact O-N 2.66Å; V299-L301 HydrophobicContact CG1-CD2 4.35Å; V299-K440 HydrophobicContact CB-CG 3.91Å; V299-K440 HydrophobicContact CG1-CB 4.35Å; V299-K440 HydrophobicContact CG1-CG 3.73Å; V299-K440 HydrophobicContact CG2-CB 4.33Å; V299-K440 HydrophobicContact CG2-CG 4.24Å; V299-V443 HydrophobicContact CG1-CG2 3.81Å; V299-V443 HydrophobicContact CG2-CG2 4.25Å; V299-L444 HydrophobicContact CG2-CD1 3.83Å; V299-L444 HydrophobicContact CG2-CD2 3.81Å; V299-L444 HydrophobicContact CG2-CG 3.7Å
300	L	95.8	Very high	94.3	Very high	63 Å²	63	40.9 Å²	40.9	33%	0.33	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.7	173	-58.9	174.6	0	0	0	109.6	A290 C291 D298 F302 Y311	A290-L300 VanDerWaalsContact CA-O 3.3Å; A290-L300 WeakPolarHBondContact CA-O 3.49Å; C291-L300 PolarHBondContact N-O 3.27Å; C291-L300 PolarHBondContact O-N 3.08Å; D298-L300 PolarHBondContact O-N 3.28Å; L300-F302 HydrophobicContact CB-CE2 3.88Å; L300-F302 HydrophobicContact CB-CZ 3.76Å; L300-F302 HydrophobicContact CD1-CZ 4.27Å; L300-Y311 HydrophobicContact CD1-CD1 4.36Å; L300-Y311 HydrophobicContact CD1-CE1 3.46Å; L300-Y311 VanDerWaalsContact CD1-CE1 3.46Å; L300-Y311 HydrophobicContact CD1-CE2 3.75Å; L300-Y311 WeakPolarHBondContact CD1-OH 3.15Å
301	L	96.3	Very high	94.2	Very high	43 Å²	43	44.7 Å²	44.7	23%	0.225	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.3	175.9	-65.8	-178.5	0	0	0	110	A289 A290 V299 Q436 I439 K440	A289-L301 WeakPolarHBondContact O-CA 3.13Å; A290-L301 HydrophobicContact CB-CD2 3.66Å; V299-L301 HydrophobicContact CG1-CD2 4.35Å; L301-Q436 HydrophobicContact CD1-CB 3.72Å; L301-Q436 HydrophobicContact CD1-CG 3.57Å; L301-I439 HydrophobicContact CD2-CB 4.36Å; L301-I439 HydrophobicContact CD2-CG2 3.77Å; L301-K440 HydrophobicContact CD1-CG 4.39Å; L301-K440 HydrophobicContact CD2-CG 4.37Å
302	F	96.9	Very high	94.1	Very high	21 Å²	21	44.7 Å²	44.7	9%	0.092	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.9	178.8	-51.7	-81.6	0	0	0	109.4	A288 A289 C291 L300 S304 E307 M308 Y311	A288-F302 CarbonylContact C-O 3.54Å; A288-F302 VanDerWaalsContact CA-O 3.32Å; A288-F302 WeakPolarHBondContact CA-O 3.31Å; A289-F302 HydrophobicContact CB-CB 4.27Å; A289-F302 HydrophobicContact CB-CD2 4.45Å; A289-F302 PolarHBondContact N-O 3.43Å; A289-F302 PolarHBondContact O-N 2.92Å; C291-F302 HydrophobicContact CB-CE2 3.84Å; L300-F302 HydrophobicContact CB-CE2 3.88Å; L300-F302 HydrophobicContact CB-CZ 3.76Å; L300-F302 HydrophobicContact CD1-CZ 4.27Å; F302-S304 VanDerWaalsContact C-N 3.34Å; F302-E307 HydrophobicContact CB-CB 3.93Å; F302-E307 HydrophobicContact CD1-CB 4.13Å; F302-E307 HydrophobicContact CG-CB 4.45Å; F302-M308 HydrophobicContact CB-CB 4.2Å; F302-M308 HydrophobicContact CD2-CB 3.73Å; F302-M308 HydrophobicContact CD2-CG 3.89Å; F302-M308 HydrophobicContact CE2-CB 4.25Å; F302-M308 HydrophobicContact CE2-CG 4.01Å; F302-M308 HydrophobicContact CG-CB 3.89Å; F302-Y311 HydrophobicContact CE1-CD1 4.09Å; F302-Y311 HydrophobicContact CE1-CD2 4.36Å; F302-Y311 AromaticContact CE1-CG 3.76Å; F302-Y311 HydrophobicContact CE1-CG 3.76Å; F302-Y311 HydrophobicContact CE2-CD1 4.2Å; F302-Y311 AromaticContact CZ-CD1 3.38Å; F302-Y311 HydrophobicContact CZ-CD1 3.38Å; F302-Y311 HydrophobicContact CZ-CD2 4.29Å; F302-Y311 AromaticContact CZ-CE1 3.99Å; F302-Y311 HydrophobicContact CZ-CE1 3.99Å; F302-Y311 AromaticContact CZ-CG 3.55Å; F302-Y311 HydrophobicContact CZ-CG 3.55Å
303	H	96.3	Very high	94	Very high	69 Å²	69	48 Å²	48	32%	0.319	24%	0.239	S	C	.	.	S	Bend	trans	-92.6	5.6	-178.6	-57.7	91.2	0	0	0	113.2	W287 E307 G428 C429	W287-H303 CarbonylContact O-C 3.57Å; W287-H303 VanDerWaalsContact O-C 3.28Å; H303-E307 IonicContact CG-OE2 3.14Å; H303-E307 PolarHBondContact N-OE2 3.43Å; H303-E307 IonicContact ND1-OE2 2.72Å; H303-G428 PolarHBondContact O-N 3.11Å; H303-C429 PolarHBondContact CD2-O 2.84Å; H303-C429 VanDerWaalsContact CD2-O 3.26Å
304	S	96.2	Very high	93.9	Very high	22 Å²	22	47.8 Å²	47.8	15%	0.154	25%	0.25	C	C	.	.	S	Bend	trans	-165.1	161.9	173.9	68.3	0	0	0	0	111.6	F302 G306 E307 M308	F302-S304 VanDerWaalsContact C-N 3.34Å; S304-G306 PolarHBondContact O-N 2.81Å; S304-G306 PolarHBondContact OG-N 3.04Å; S304-E307 PolarHBondContact O-N 2.78Å; S304-E307 PolarHBondContact OG-N 3.31Å; S304-E307 VanDerWaalsContact OG-N 3.09Å; S304-M308 PolarHBondContact O-N 2.98Å
305	I	97.4	Very high	93.7	Very high	20 Å²	20	49.1 Å²	49.1	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-57.7	-31	167.9	-170	163.3	0	0	0	112.7	F273 V286 W309 F332 W333 Y336	F273-I305 HydrophobicContact CE1-CG1 4.49Å; F273-I305 HydrophobicContact CE2-CD1 3.88Å; F273-I305 HydrophobicContact CE2-CG1 4.43Å; F273-I305 HydrophobicContact CZ-CB 4.4Å; F273-I305 HydrophobicContact CZ-CD1 3.74Å; F273-I305 HydrophobicContact CZ-CG1 3.79Å; V286-I305 HydrophobicContact CB-CB 4Å; V286-I305 HydrophobicContact CB-CG2 4.5Å; V286-I305 HydrophobicContact CG1-CB 4.42Å; V286-I305 HydrophobicContact CG2-CB 4.12Å; V286-I305 HydrophobicContact CG2-CD1 4.33Å; I305-W309 VanDerWaalsContact O-CB 3.29Å; I305-W309 WeakPolarHBondContact O-CB 3.38Å; I305-W309 PolarHBondContact O-N 2.62Å; I305-F332 HydrophobicContact CD1-CB 4.24Å; I305-W333 HydrophobicContact CD1-CD2 3.9Å; I305-W333 HydrophobicContact CD1-CE3 3.63Å; I305-W333 HydrophobicContact CD1-CG 4.44Å; I305-W333 HydrophobicContact CD1-CH2 4.41Å; I305-W333 HydrophobicContact CD1-CZ3 3.9Å; I305-W333 HydrophobicContact CG1-CD2 4.29Å; I305-W333 HydrophobicContact CG1-CE3 3.79Å; I305-W333 HydrophobicContact CG1-CH2 3.74Å; I305-W333 HydrophobicContact CG1-CZ2 4.27Å; I305-W333 HydrophobicContact CG1-CZ3 3.48Å; I305-W333 VanDerWaalsContact CG1-CZ3 3.48Å; I305-Y336 HydrophobicContact CD1-CG 4.11Å; I305-Y336 HydrophobicContact CG1-CD1 4.42Å; I305-Y336 HydrophobicContact CG1-CG 4.31Å; I305-Y336 HydrophobicContact CG2-CD2 3.78Å; I305-Y336 HydrophobicContact CG2-CE2 3.97Å; I305-Y336 HydrophobicContact CG2-CG 4.31Å
306	G	96.9	Very high	93.2	Very high	14 Å²	14	54.5 Å²	54.5	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-69.8	-41.9	179.1	0	0	0	0	0	112.8	S304 W309 D310 Y336	S304-G306 PolarHBondContact O-N 2.81Å; S304-G306 PolarHBondContact OG-N 3.04Å; G306-W309 PolarHBondContact O-N 3.07Å; G306-D310 WeakPolarHBondContact O-CB 3.45Å; G306-D310 VanDerWaalsContact O-CG 3.31Å; G306-D310 PolarHBondContact O-N 2.86Å; G306-Y336 WeakPolarHBondContact CA-OH 3.48Å
307	E	97.1	Very high	92.9	Very high	81 Å²	81	56.9 Å²	56.9	38%	0.379	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-45.2	175.2	-76.3	-179	-167.7	0	0	111.6	F302 H303 S304 W309 D310 Y311	F302-E307 HydrophobicContact CB-CB 3.93Å; F302-E307 HydrophobicContact CD1-CB 4.13Å; F302-E307 HydrophobicContact CG-CB 4.45Å; H303-E307 IonicContact CG-OE2 3.14Å; H303-E307 PolarHBondContact N-OE2 3.43Å; H303-E307 IonicContact ND1-OE2 2.72Å; S304-E307 PolarHBondContact O-N 2.78Å; S304-E307 PolarHBondContact OG-N 3.31Å; S304-E307 VanDerWaalsContact OG-N 3.09Å; E307-W309 VanDerWaalsContact C-N 3.35Å; E307-W309 PolarHBondContact O-N 2.94Å; E307-D310 PolarHBondContact O-N 3.23Å; E307-Y311 PolarHBondContact O-N 3.09Å
308	M	96.9	Very high	93	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-42.2	175.4	-175.8	179.2	-174.4	0	0	111.6	D271 F273 A289 C291 F302 S304 D310 Y311 L312 F323 W333	D271-M308 HydrophobicContact CB-CE 3.74Å; D271-M308 WeakPolarHBondContact OD2-CE 3.4Å; F273-M308 HydrophobicContact CE1-SD 3.69Å; F273-M308 HydrophobicContact CZ-SD 4.43Å; A289-M308 HydrophobicContact CB-CB 4.18Å; A289-M308 HydrophobicContact CB-SD 3.75Å; C291-M308 HydrophobicContact CB-CE 3.9Å; F302-M308 HydrophobicContact CB-CB 4.2Å; F302-M308 HydrophobicContact CD2-CB 3.73Å; F302-M308 HydrophobicContact CD2-CG 3.89Å; F302-M308 HydrophobicContact CE2-CB 4.25Å; F302-M308 HydrophobicContact CE2-CG 4.01Å; F302-M308 HydrophobicContact CG-CB 3.89Å; S304-M308 PolarHBondContact O-N 2.98Å; M308-D310 VanDerWaalsContact C-N 3.31Å; M308-D310 PolarHBondContact O-N 3.22Å; M308-Y311 WeakPolarHBondContact O-CB 3.41Å; M308-Y311 PolarHBondContact O-N 2.83Å; M308-L312 HydrophobicContact CE-CD1 4.1Å; M308-L312 HydrophobicContact CG-CD1 4.17Å; M308-L312 HydrophobicContact CG-CG 4.38Å; M308-L312 WeakPolarHBondContact O-CG 3.43Å; M308-L312 PolarHBondContact O-N 2.92Å; M308-F323 HydrophobicContact CE-CZ 4.21Å; M308-W333 HydrophobicContact CE-CZ2 4.46Å; M308-W333 HydrophobicContact CG-CH2 4.45Å; M308-W333 HydrophobicContact CG-CZ2 4.42Å; M308-W333 HydrophobicContact SD-CH2 4.43Å; M308-W333 HydrophobicContact SD-CZ2 3.88Å
309	W	96.7	Very high	93	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-41.1	176.4	179.8	-118.1	0	0	0	112.3	I305 G306 E307 Y311 L312 K313 W333 Y336 F337 Y343 V383 V385 I390 F392	I305-W309 VanDerWaalsContact O-CB 3.29Å; I305-W309 WeakPolarHBondContact O-CB 3.38Å; I305-W309 PolarHBondContact O-N 2.62Å; G306-W309 PolarHBondContact O-N 3.07Å; E307-W309 VanDerWaalsContact C-N 3.35Å; E307-W309 PolarHBondContact O-N 2.94Å; W309-Y311 VanDerWaalsContact C-N 3.29Å; W309-Y311 PolarHBondContact O-N 2.91Å; W309-L312 PolarHBondContact O-N 2.75Å; W309-K313 WeakPolarHBondContact O-CB 3.26Å; W309-K313 WeakPolarHBondContact O-CG 3.47Å; W309-K313 PolarHBondContact O-N 3.46Å; W309-W333 HydrophobicContact CB-CH2 4.19Å; W309-W333 HydrophobicContact CB-CZ3 4.05Å; W309-W333 HydrophobicContact CD2-CZ3 4.44Å; W309-W333 HydrophobicContact CE3-CH2 4.33Å; W309-W333 HydrophobicContact CE3-CZ3 4Å; W309-W333 HydrophobicContact CG-CZ3 4.49Å; W309-Y336 HydrophobicContact CB-CE1 4.01Å; W309-Y336 AromaticContact CD1-CE1 3.82Å; W309-Y336 AromaticContact CG-CE1 3.87Å; W309-Y336 HydrophobicContact CG-CE1 3.87Å; W309-F337 HydrophobicContact CD2-CE1 4.03Å; W309-F337 AromaticContact CE3-CE1 3.81Å; W309-F337 HydrophobicContact CE3-CE1 3.81Å; W309-F337 HydrophobicContact CE3-CZ 4.08Å; W309-F337 AromaticContact CH2-CE1 3.96Å; W309-F337 HydrophobicContact CH2-CE1 3.96Å; W309-F337 HydrophobicContact CH2-CZ 4.41Å; W309-F337 HydrophobicContact CZ2-CE1 4.14Å; W309-F337 AromaticContact CZ3-CE1 3.78Å; W309-F337 HydrophobicContact CZ3-CE1 3.78Å; W309-F337 AromaticContact CZ3-CZ 3.92Å; W309-F337 HydrophobicContact CZ3-CZ 3.92Å; W309-Y343 AromaticContact CZ2-CE2 3.92Å; W309-Y343 HydrophobicContact CZ2-CE2 3.92Å; W309-V383 HydrophobicContact CH2-CB 4.13Å; W309-V383 HydrophobicContact CH2-CG1 3.58Å; W309-V383 HydrophobicContact CZ2-CG1 4.2Å; W309-V383 HydrophobicContact CZ3-CG1 4.45Å; W309-V385 HydrophobicContact CH2-CB 4.39Å; W309-V385 HydrophobicContact CH2-CG1 3.79Å; W309-V385 HydrophobicContact CZ2-CB 4.2Å; W309-V385 HydrophobicContact CZ2-CG1 3.94Å; W309-V385 HydrophobicContact CZ2-CG2 4.31Å; W309-I390 HydrophobicContact CH2-CD1 3.87Å; W309-I390 HydrophobicContact CZ3-CD1 3.68Å; W309-F392 HydrophobicContact CZ3-CZ 4.33Å
310	D	95.8	Very high	93	Very high	85 Å²	85	49.7 Å²	49.7	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-64.6	-34.9	176.8	-76.2	-5.4	0	0	0	112.4	G306 E307 M308 K313 G314	G306-D310 WeakPolarHBondContact O-CB 3.45Å; G306-D310 VanDerWaalsContact O-CG 3.31Å; G306-D310 PolarHBondContact O-N 2.86Å; E307-D310 PolarHBondContact O-N 3.23Å; M308-D310 VanDerWaalsContact C-N 3.31Å; M308-D310 PolarHBondContact O-N 3.22Å; D310-K313 WeakPolarHBondContact O-CG 3.32Å; D310-K313 WeakPolarHBondContact OD1-CE 3.4Å; D310-K313 IonicContact OD1-NZ 2.77Å; D310-K313 PolarHBondContact OD1-NZ 2.69Å; D310-G314 PolarHBondContact O-N 3.48Å
311	Y	94.9	Very high	93	Very high	80 Å²	80	46.7 Å²	46.7	31%	0.314	23%	0.23	S	C	.	.	H	α-helix	trans	-66.5	-54.6	171.9	175	-109.6	0	0	0	112.1	L300 F302 E307 M308 W309 K313 G314 M315	L300-Y311 HydrophobicContact CD1-CD1 4.36Å; L300-Y311 HydrophobicContact CD1-CE1 3.46Å; L300-Y311 VanDerWaalsContact CD1-CE1 3.46Å; L300-Y311 HydrophobicContact CD1-CE2 3.75Å; L300-Y311 WeakPolarHBondContact CD1-OH 3.15Å; F302-Y311 HydrophobicContact CE1-CD1 4.09Å; F302-Y311 HydrophobicContact CE1-CD2 4.36Å; F302-Y311 AromaticContact CE1-CG 3.76Å; F302-Y311 HydrophobicContact CE1-CG 3.76Å; F302-Y311 HydrophobicContact CE2-CD1 4.2Å; F302-Y311 AromaticContact CZ-CD1 3.38Å; F302-Y311 HydrophobicContact CZ-CD1 3.38Å; F302-Y311 HydrophobicContact CZ-CD2 4.29Å; F302-Y311 AromaticContact CZ-CE1 3.99Å; F302-Y311 HydrophobicContact CZ-CE1 3.99Å; F302-Y311 AromaticContact CZ-CG 3.55Å; F302-Y311 HydrophobicContact CZ-CG 3.55Å; E307-Y311 PolarHBondContact O-N 3.09Å; M308-Y311 WeakPolarHBondContact O-CB 3.41Å; M308-Y311 PolarHBondContact O-N 2.83Å; W309-Y311 VanDerWaalsContact C-N 3.29Å; W309-Y311 PolarHBondContact O-N 2.91Å; Y311-K313 PolarHBondContact O-N 3.17Å; Y311-G314 WeakPolarHBondContact O-CA 3.46Å; Y311-G314 PolarHBondContact O-N 2.98Å; Y311-M315 HydrophobicContact CD1-CE 3.75Å; Y311-M315 HydrophobicContact CE1-CE 3.02Å; Y311-M315 HydrophobicContact CE2-CE 4.17Å; Y311-M315 PolarHBondContact O-N 3.17Å; Y311-M315 VanDerWaalsContact OH-CE 3.29Å; Y311-M315 WeakPolarHBondContact OH-CE 3.04Å
312	L	94	Very high	93.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-42.9	-177	-66.8	174.7	0	0	0	112.6	M308 W309 G314 M315 V319 W333 Q388 I390 F392	M308-L312 HydrophobicContact CE-CD1 4.1Å; M308-L312 HydrophobicContact CG-CD1 4.17Å; M308-L312 HydrophobicContact CG-CG 4.38Å; M308-L312 WeakPolarHBondContact O-CG 3.43Å; M308-L312 PolarHBondContact O-N 2.92Å; W309-L312 PolarHBondContact O-N 2.75Å; L312-G314 PolarHBondContact O-N 2.74Å; L312-M315 HydrophobicContact CD2-CE 4.07Å; L312-M315 HydrophobicContact CD2-SD 4.46Å; L312-M315 PolarHBondContact O-N 2.97Å; L312-V319 HydrophobicContact CD2-CG1 4.29Å; L312-W333 HydrophobicContact CD1-CH2 4.43Å; L312-W333 HydrophobicContact CD1-CZ2 4.41Å; L312-Q388 PolarHBondContact O-NE2 3.28Å; L312-I390 HydrophobicContact CB-CD1 4.03Å; L312-I390 HydrophobicContact CD1-CG2 4.49Å; L312-F392 HydrophobicContact CD1-CE1 3.91Å; L312-F392 HydrophobicContact CD1-CZ 4.12Å
313	K	91.7	Very high	93.2	Very high	70 Å²	70	43.8 Å²	43.8	30%	0.304	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-17.6	175.6	82.8	-171.1	-168.2	-169.9	0	112.8	W309 D310 Y311 V385 Q388	W309-K313 WeakPolarHBondContact O-CB 3.26Å; W309-K313 WeakPolarHBondContact O-CG 3.47Å; W309-K313 PolarHBondContact O-N 3.46Å; D310-K313 WeakPolarHBondContact O-CG 3.32Å; D310-K313 WeakPolarHBondContact OD1-CE 3.4Å; D310-K313 IonicContact OD1-NZ 2.77Å; D310-K313 PolarHBondContact OD1-NZ 2.69Å; Y311-K313 PolarHBondContact O-N 3.17Å; K313-V385 HydrophobicContact CB-CG1 4.22Å; K313-Q388 PolarHBondContact O-OE1 3.42Å
314	G	90.3	Very high	93.2	Very high	45 Å²	45	41.7 Å²	41.7	46%	0.464	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-20.9	-178.9	0	0	0	0	0	114	D310 Y311 L312 R316	D310-G314 PolarHBondContact O-N 3.48Å; Y311-G314 WeakPolarHBondContact O-CA 3.46Å; Y311-G314 PolarHBondContact O-N 2.98Å; L312-G314 PolarHBondContact O-N 2.74Å; G314-R316 VanDerWaalsContact C-N 3.29Å; G314-R316 PolarHBondContact O-N 2.77Å
315	M	85.5	Confident	93.1	Very high	33 Å²	33	43.7 Å²	43.7	16%	0.163	22%	0.215	C	C	.	.	S	Bend	trans	-65	-28.5	-179.8	-65.4	176.9	176	0	0	113.6	Y269 Y311 L312 E317 V319	Y269-M315 HydrophobicContact CE1-CE 3.97Å; Y269-M315 HydrophobicContact CE2-CE 3.84Å; Y269-M315 HydrophobicContact CE2-SD 4.01Å; Y269-M315 VanDerWaalsContact CZ-CE 3.44Å; Y269-M315 VanDerWaalsContact OH-CE 3.31Å; Y269-M315 WeakPolarHBondContact OH-CE 3.35Å; Y311-M315 HydrophobicContact CD1-CE 3.75Å; Y311-M315 HydrophobicContact CE1-CE 3.02Å; Y311-M315 HydrophobicContact CE2-CE 4.17Å; Y311-M315 PolarHBondContact O-N 3.17Å; Y311-M315 VanDerWaalsContact OH-CE 3.29Å; Y311-M315 WeakPolarHBondContact OH-CE 3.04Å; L312-M315 HydrophobicContact CD2-CE 4.07Å; L312-M315 HydrophobicContact CD2-SD 4.46Å; L312-M315 PolarHBondContact O-N 2.97Å; M315-E317 HydrophobicContact CB-CG 4.29Å; M315-E317 PolarHBondContact O-N 3.41Å; M315-V319 HydrophobicContact SD-CG1 4.48Å; M315-V319 HydrophobicContact SD-CG2 3.51Å; M315-V319 VanDerWaalsContact SD-CG2 3.51Å
316	R	76.8	Confident	93.1	Very high	225 Å²	225	42.8 Å²	42.8	85%	0.849	21%	0.21	S	C	*	.			trans	60.9	22.2	-179.2	-53.6	179.3	-179.2	-173	-0.3	115	G314	G314-R316 VanDerWaalsContact C-N 3.29Å; G314-R316 PolarHBondContact O-N 2.77Å
317	E	82.6	Confident	93.1	Very high	82 Å²	82	46.5 Å²	46.5	38%	0.383	22%	0.222	S	C	.	.	S	Bend	trans	-136.6	158.7	174.7	68.8	-163.3	125.3	0	0	111.7	D267 M315 V319 Q388	D267-E317 VanDerWaalsContact OD2-CD 3.32Å; M315-E317 HydrophobicContact CB-CG 4.29Å; M315-E317 PolarHBondContact O-N 3.41Å; E317-V319 WeakPolarHBondContact O-CG2 3.48Å; E317-V319 PolarHBondContact O-N 3.32Å; E317-Q388 WeakPolarHBondContact O-CG 3.47Å; E317-Q388 PolarHBondContact O-NE2 2.86Å
318	N	89.1	Confident	93	Very high	79 Å²	79	44.4 Å²	44.4	42%	0.422	21%	0.212	S	C	.	.			trans	-66.7	135.6	-177.9	-64.2	-35.7	0	0	0	111	P266 D267 I389	P266-N318 WeakPolarHBondContact CA-O 3.43Å; P266-N318 HydrophobicContact CB-CB 4.34Å; P266-N318 WeakPolarHBondContact CB-O 3.47Å; D267-N318 PolarHBondContact N-O 3.15Å; N318-I389 CarbonylContact C-O 3.59Å; N318-I389 WeakPolarHBondContact CA-O 3.08Å; N318-I389 WeakPolarHBondContact OD1-CB 3.45Å; N318-I389 PolarHBondContact OD1-N 3.07Å
319	V	91.2	Very high	93	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142	-174.5	-174.6	0	0	0	0	110.6	Y269 L312 M315 E317 I389 I390 E391	Y269-V319 HydrophobicContact CD2-CG1 3.43Å; Y269-V319 VanDerWaalsContact CD2-CG1 3.43Å; Y269-V319 HydrophobicContact CE2-CG1 3.69Å; L312-V319 HydrophobicContact CD2-CG1 4.29Å; M315-V319 HydrophobicContact SD-CG1 4.48Å; M315-V319 HydrophobicContact SD-CG2 3.51Å; M315-V319 VanDerWaalsContact SD-CG2 3.51Å; E317-V319 WeakPolarHBondContact O-CG2 3.48Å; E317-V319 PolarHBondContact O-N 3.32Å; V319-I389 PolarHBondContact N-O 3.43Å; V319-I390 HydrophobicContact CB-CG1 4.41Å; V319-I390 HydrophobicContact CB-CG2 4.45Å; V319-I390 WeakPolarHBondContact O-CA 3.22Å; V319-E391 PolarHBondContact O-N 3.3Å
320	I	94.5	Very high	93.1	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.6	166.2	-63.8	174.6	0	0	0	109.4	P266 D267 W268 Y269 Y322 E391 R393	P266-I320 HydrophobicContact CB-CD1 4.06Å; P266-I320 HydrophobicContact CB-CG1 3.83Å; P266-I320 HydrophobicContact CG-CD1 3.27Å; P266-I320 HydrophobicContact CG-CG1 3.64Å; D267-I320 PolarHBondContact O-N 3.18Å; W268-I320 CarbonylContact C-O 3.59Å; W268-I320 WeakPolarHBondContact CA-O 3.36Å; Y269-I320 PolarHBondContact N-O 3.28Å; I320-Y322 HydrophobicContact CG2-CD2 4.06Å; I320-Y322 HydrophobicContact CG2-CE2 3.57Å; I320-E391 CarbonylContact C-O 3.58Å; I320-E391 WeakPolarHBondContact CA-O 3.37Å; I320-E391 HydrophobicContact CG1-CB 4.23Å; I320-R393 HydrophobicContact CG2-CG 4.1Å
321	C	96.8	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.6	177.6	-71.5	0	0	0	0	110.1	Y269 D271 F323 E391 F392 R393	Y269-C321 CarbonylContact O-C 3.51Å; D271-C321 WeakPolarHBondContact OD2-CB 3.19Å; D271-C321 PolarHBondContact OD2-SG 3.48Å; C321-F323 HydrophobicContact CB-CE2 4.3Å; C321-E391 PolarHBondContact N-O 3.46Å; C321-F392 HydrophobicContact CB-CD1 3.56Å; C321-F392 HydrophobicContact CB-CE1 3.98Å; C321-F392 HydrophobicContact CB-CG 4.48Å; C321-F392 CarbonylContact O-C 3.58Å; C321-F392 VanDerWaalsContact O-CA 3.26Å; C321-F392 WeakPolarHBondContact O-CA 3.43Å; C321-R393 PolarHBondContact O-N 3.39Å
322	Y	97.7	Very high	93.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.1	174	-78.2	-85.9	0	0	0	110.2	Y269 D271 I320 R393 L398 L450 F454	Y269-Y322 PolarHBondContact O-N 2.94Å; D271-Y322 PolarHBondContact N-O 3.09Å; I320-Y322 HydrophobicContact CG2-CD2 4.06Å; I320-Y322 HydrophobicContact CG2-CE2 3.57Å; Y322-R393 CarbonylContact C-O 3.54Å; Y322-R393 WeakPolarHBondContact CA-O 3.21Å; Y322-R393 HydrophobicContact CD1-CB 3.9Å; Y322-R393 HydrophobicContact CE1-CB 3.81Å; Y322-L398 HydrophobicContact CE1-CD1 4.02Å; Y322-L450 HydrophobicContact CD1-CD1 4.27Å; Y322-L450 HydrophobicContact CD1-CD2 4.42Å; Y322-L450 HydrophobicContact CD2-CD1 4.07Å; Y322-L450 HydrophobicContact CG-CD1 3.76Å; Y322-F454 HydrophobicContact CE2-CE2 4.39Å; Y322-F454 AromaticContact CE2-CZ 3.77Å; Y322-F454 HydrophobicContact CE2-CZ 3.77Å; Y322-F454 AromaticContact CZ-CZ 3.81Å; Y322-F454 WeakPolarHBondContact OH-CZ 3.38Å
323	F	98.1	Very high	93.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.2	169.8	-80.1	-96.1	0	0	0	109.2	D271 F273 M308 C321 N325 L326 D329 W333 F392 R393 D394 S395	D271-F323 HydrophobicContact CB-CD1 4.21Å; D271-F323 HydrophobicContact CB-CD2 3.92Å; D271-F323 HydrophobicContact CB-CE1 3.76Å; D271-F323 HydrophobicContact CB-CE2 3.39Å; D271-F323 HydrophobicContact CB-CG 4.3Å; D271-F323 HydrophobicContact CB-CZ 3.32Å; D271-F323 WeakPolarHBondContact O-CD1 3.11Å; D271-F323 WeakPolarHBondContact OD2-CE2 3.45Å; F273-F323 HydrophobicContact CD1-CE1 4.02Å; F273-F323 HydrophobicContact CD1-CZ 4.45Å; F273-F323 HydrophobicContact CD2-CE1 4.02Å; F273-F323 HydrophobicContact CE1-CE1 4.1Å; F273-F323 HydrophobicContact CE1-CZ 4.09Å; F273-F323 HydrophobicContact CE2-CE1 4.1Å; F273-F323 HydrophobicContact CE2-CZ 4.32Å; F273-F323 HydrophobicContact CG-CE1 4.01Å; F273-F323 HydrophobicContact CZ-CE1 4.16Å; F273-F323 HydrophobicContact CZ-CZ 4.04Å; M308-F323 HydrophobicContact CE-CZ 4.21Å; C321-F323 HydrophobicContact CB-CE2 4.3Å; F323-N325 PolarHBondContact O-N 2.93Å; F323-L326 HydrophobicContact CB-CB 4.42Å; F323-L326 HydrophobicContact CB-CD1 4.04Å; F323-L326 HydrophobicContact CD2-CD1 4.38Å; F323-L326 HydrophobicContact CG-CD1 4.38Å; F323-D329 HydrophobicContact CB-CB 4.32Å; F323-D329 HydrophobicContact CD1-CB 3.35Å; F323-D329 HydrophobicContact CE1-CB 3.86Å; F323-D329 HydrophobicContact CG-CB 4Å; F323-W333 AromaticContact CE1-NE1 3.95Å; F323-W333 AromaticContact CE2-NE1 3.36Å; F323-W333 HydrophobicContact CZ-CZ2 4.38Å; F323-W333 AromaticContact CZ-NE1 3.16Å; F323-F392 HydrophobicContact CD2-CD1 4.1Å; F323-F392 AromaticContact CE2-CD1 3.59Å; F323-F392 HydrophobicContact CE2-CD1 3.59Å; F323-F392 HydrophobicContact CE2-CE1 4.13Å; F323-R393 PolarHBondContact N-O 3.14Å; F323-D394 WeakPolarHBondContact O-CA 3.11Å; F323-S395 PolarHBondContact O-N 2.77Å; F323-S395 PolarHBondContact O-OG 2.86Å
324	H	96.8	Very high	93.7	Very high	26 Å²	26	34 Å²	34	12%	0.12	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	95.7	179.6	-165.9	74.8	0	0	0	111.8	S395 F401 V403 I406 V446	H324-S395 WeakPolarHBondContact CA-OG 3.45Å; H324-S395 WeakPolarHBondContact CB-OG 3.48Å; H324-S395 PolarHBondContact ND1-OG 3.26Å; H324-F401 PolarHBondContact CE1-O 2.9Å; H324-F401 PolarHBondContact NE2-O 3.31Å; H324-V403 HydrophobicContact CB-CG2 4.36Å; H324-V403 VanDerWaalsContact CD2-CG2 3.45Å; H324-V403 WeakPolarHBondContact CD2-CG2 3.37Å; H324-I406 VanDerWaalsContact CE1-CD1 3.47Å; H324-I406 WeakPolarHBondContact CE1-CD1 3.34Å; H324-V446 HydrophobicContact CB-CG1 4.42Å; H324-V446 HydrophobicContact CB-CG2 4.09Å
325	N	95.4	Very high	94	Very high	64 Å²	64	32 Å²	32	34%	0.342	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	56	-165.8	-173.5	34.3	0	0	0	113.3	F323 K327 F328 D394 L396	F323-N325 PolarHBondContact O-N 2.93Å; N325-K327 PolarHBondContact O-N 3.16Å; N325-F328 PolarHBondContact O-N 2.82Å; N325-D394 WeakPolarHBondContact CA-OD1 3.32Å; N325-D394 PolarHBondContact N-OD1 2.73Å; N325-L396 HydrophobicContact CB-CD2 4.09Å
326	L	97.3	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-47.8	-21.1	176.8	-175.3	65.9	0	0	0	114.7	F323 F328 G330 I381 F392 D394	F323-L326 HydrophobicContact CB-CB 4.42Å; F323-L326 HydrophobicContact CB-CD1 4.04Å; F323-L326 HydrophobicContact CD2-CD1 4.38Å; F323-L326 HydrophobicContact CG-CD1 4.38Å; L326-F328 PolarHBondContact O-N 2.94Å; L326-G330 WeakPolarHBondContact O-CA 3.3Å; L326-G330 PolarHBondContact O-N 3.14Å; L326-I381 HydrophobicContact CD1-CD1 4.33Å; L326-I381 HydrophobicContact CD2-CG1 4.44Å; L326-F392 HydrophobicContact CD1-CB 3.99Å; L326-D394 HydrophobicContact CB-CB 3.58Å; L326-D394 HydrophobicContact CD2-CB 4.24Å; L326-D394 PolarHBondContact N-OD1 2.68Å
327	K	96.3	Very high	95.6	Very high	92 Å²	92	21.3 Å²	21.3	40%	0.4	10%	0.103	S	C	.	.	H	α-helix	trans	-58.8	-32.7	173.6	177.5	175.1	177.3	-174.5	0	113	N325 W378	N325-K327 PolarHBondContact O-N 3.16Å; K327-W378 HydrophobicContact CB-CB 4.27Å; K327-W378 HydrophobicContact CB-CG 3.91Å; K327-W378 HydrophobicContact CG-CG 4.32Å
328	F	95.6	Very high	96.2	Very high	38 Å²	38	18.3 Å²	18.3	17%	0.167	9%	0.089	C	C	.	.	H	α-helix	trans	-81.9	-64.1	176.5	-176.2	-100.8	0	0	0	109.9	T275 N325 L326 G330 S331 F332 V905 L907	T275-F328 HydrophobicContact CG2-CE1 3.99Å; T275-F328 HydrophobicContact CG2-CZ 4.28Å; N325-F328 PolarHBondContact O-N 2.82Å; L326-F328 PolarHBondContact O-N 2.94Å; F328-G330 PolarHBondContact O-N 3.46Å; F328-S331 WeakPolarHBondContact O-CB 3.25Å; F328-S331 PolarHBondContact O-N 2.92Å; F328-S331 PolarHBondContact O-OG 3.28Å; F328-F332 HydrophobicContact CD1-CE2 4.33Å; F328-F332 AromaticContact CE1-CE2 3.86Å; F328-F332 HydrophobicContact CE1-CE2 3.86Å; F328-F332 HydrophobicContact CE2-CE2 4.22Å; F328-F332 AromaticContact CZ-CE2 3.8Å; F328-F332 HydrophobicContact CZ-CE2 3.8Å; F328-F332 HydrophobicContact CZ-CZ 4.23Å; F328-F332 WeakPolarHBondContact O-CD2 3.49Å; F328-V905 HydrophobicContact CD2-CB 4.24Å; F328-V905 HydrophobicContact CD2-CG1 4.07Å; F328-V905 HydrophobicContact CE2-CB 4.23Å; F328-V905 HydrophobicContact CE2-CG1 4.07Å; F328-V905 WeakPolarHBondContact CE2-O 3.35Å; F328-L907 HydrophobicContact CE2-CD1 4.47Å; F328-L907 HydrophobicContact CE2-CD2 4.45Å; F328-L907 HydrophobicContact CE2-CG 4.08Å
329	D	96.9	Very high	96.6	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-64.7	-39.5	-175	-47.9	-70.7	0	0	0	112.6	F273 F323 S331 F332 W333	F273-D329 HydrophobicContact CD2-CB 3.8Å; F273-D329 HydrophobicContact CE2-CB 4.35Å; F323-D329 HydrophobicContact CB-CB 4.32Å; F323-D329 HydrophobicContact CD1-CB 3.35Å; F323-D329 HydrophobicContact CE1-CB 3.86Å; F323-D329 HydrophobicContact CG-CB 4Å; D329-S331 PolarHBondContact O-N 3.01Å; D329-S331 VanDerWaalsContact O-N 3.13Å; D329-F332 WeakPolarHBondContact O-CB 3.46Å; D329-F332 PolarHBondContact O-N 3.43Å; D329-W333 PolarHBondContact O-N 3.3Å
330	G	97.1	Very high	96.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.6	-20	174.1	0	0	0	0	0	113.4	L326 F328 L334 W378	L326-G330 WeakPolarHBondContact O-CA 3.3Å; L326-G330 PolarHBondContact O-N 3.14Å; F328-G330 PolarHBondContact O-N 3.46Å; G330-L334 WeakPolarHBondContact O-CB 3.34Å; G330-L334 PolarHBondContact O-N 2.67Å; G330-W378 WeakPolarHBondContact O-CZ3 3.48Å
331	S	96.6	Very high	96.9	Very high	12 Å²	12	24 Å²	24	8%	0.084	12%	0.121	C	C	.	.	H	α-helix	trans	-71.4	-35.5	171.9	79.8	0	0	0	0	112.4	F328 D329 S335 V905	F328-S331 WeakPolarHBondContact O-CB 3.25Å; F328-S331 PolarHBondContact O-N 2.92Å; F328-S331 PolarHBondContact O-OG 3.28Å; D329-S331 PolarHBondContact O-N 3.01Å; D329-S331 VanDerWaalsContact O-N 3.13Å; S331-S335 VanDerWaalsContact O-CB 3.26Å; S331-S335 WeakPolarHBondContact O-CB 3.27Å; S331-S335 PolarHBondContact O-N 3.03Å; S331-V905 VanDerWaalsContact OG-CG2 3.25Å; S331-V905 WeakPolarHBondContact OG-CG2 3.33Å; S331-V905 PolarHBondContact OG-N 2.86Å
332	F	97.8	Very high	96.8	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-70.6	-46.9	173.3	-67.2	-97.3	0	0	0	110.3	F273 T275 T284 V286 I305 F328 D329 L334 S335 Y336 G903 V905	F273-F332 HydrophobicContact CD2-CB 4.34Å; F273-F332 HydrophobicContact CE2-CB 4.19Å; T275-F332 HydrophobicContact CG2-CD1 4.21Å; T275-F332 HydrophobicContact CG2-CD2 4.21Å; T275-F332 HydrophobicContact CG2-CE1 3.59Å; T275-F332 HydrophobicContact CG2-CE2 3.65Å; T275-F332 HydrophobicContact CG2-CG 4.49Å; T275-F332 HydrophobicContact CG2-CZ 3.3Å; T284-F332 HydrophobicContact CG2-CD1 4.43Å; T284-F332 HydrophobicContact CG2-CE1 3.49Å; T284-F332 VanDerWaalsContact CG2-CE1 3.49Å; T284-F332 HydrophobicContact CG2-CZ 3.83Å; T284-F332 WeakPolarHBondContact OG1-CE1 3.17Å; V286-F332 HydrophobicContact CG2-CB 4.02Å; V286-F332 HydrophobicContact CG2-CD1 3.78Å; V286-F332 HydrophobicContact CG2-CG 4.02Å; I305-F332 HydrophobicContact CD1-CB 4.24Å; F328-F332 HydrophobicContact CD1-CE2 4.33Å; F328-F332 AromaticContact CE1-CE2 3.86Å; F328-F332 HydrophobicContact CE1-CE2 3.86Å; F328-F332 HydrophobicContact CE2-CE2 4.22Å; F328-F332 AromaticContact CZ-CE2 3.8Å; F328-F332 HydrophobicContact CZ-CE2 3.8Å; F328-F332 HydrophobicContact CZ-CZ 4.23Å; F328-F332 WeakPolarHBondContact O-CD2 3.49Å; D329-F332 WeakPolarHBondContact O-CB 3.46Å; D329-F332 PolarHBondContact O-N 3.43Å; F332-L334 PolarHBondContact O-N 2.83Å; F332-S335 PolarHBondContact O-N 2.81Å; F332-Y336 VanDerWaalsContact O-CB 3.28Å; F332-Y336 WeakPolarHBondContact O-CB 3.49Å; F332-Y336 PolarHBondContact O-N 2.97Å; F332-G903 VanDerWaalsContact CD1-O 3.28Å; F332-G903 WeakPolarHBondContact CD1-O 3.43Å; F332-V905 WeakPolarHBondContact CZ-O 3.42Å
333	W	97.9	Very high	96.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57	-49.9	174	-82.2	123.3	0	0	0	112.7	F273 I305 M308 W309 L312 F323 D329 S335 Y336 F337 I381 F392	F273-W333 HydrophobicContact CE1-CZ2 4.09Å; F273-W333 AromaticContact CE2-CD1 3.66Å; F273-W333 HydrophobicContact CE2-CD2 4.26Å; F273-W333 AromaticContact CE2-CE2 3.84Å; F273-W333 HydrophobicContact CE2-CG 4.18Å; F273-W333 HydrophobicContact CE2-CZ2 4.42Å; F273-W333 AromaticContact CE2-NE1 3.43Å; F273-W333 AromaticContact CZ-CD1 3.95Å; F273-W333 HydrophobicContact CZ-CD2 4.01Å; F273-W333 AromaticContact CZ-CE2 3.29Å; F273-W333 HydrophobicContact CZ-CG 4.39Å; F273-W333 HydrophobicContact CZ-CH2 4.25Å; F273-W333 AromaticContact CZ-CZ2 3.45Å; F273-W333 HydrophobicContact CZ-CZ2 3.45Å; F273-W333 VanDerWaalsContact CZ-CZ2 3.45Å; F273-W333 AromaticContact CZ-NE1 3.26Å; F273-W333 VanDerWaalsContact CZ-NE1 3.26Å; I305-W333 HydrophobicContact CD1-CD2 3.9Å; I305-W333 HydrophobicContact CD1-CE3 3.63Å; I305-W333 HydrophobicContact CD1-CG 4.44Å; I305-W333 HydrophobicContact CD1-CH2 4.41Å; I305-W333 HydrophobicContact CD1-CZ3 3.9Å; I305-W333 HydrophobicContact CG1-CD2 4.29Å; I305-W333 HydrophobicContact CG1-CE3 3.79Å; I305-W333 HydrophobicContact CG1-CH2 3.74Å; I305-W333 HydrophobicContact CG1-CZ2 4.27Å; I305-W333 HydrophobicContact CG1-CZ3 3.48Å; I305-W333 VanDerWaalsContact CG1-CZ3 3.48Å; M308-W333 HydrophobicContact CE-CZ2 4.46Å; M308-W333 HydrophobicContact CG-CH2 4.45Å; M308-W333 HydrophobicContact CG-CZ2 4.42Å; M308-W333 HydrophobicContact SD-CH2 4.43Å; M308-W333 HydrophobicContact SD-CZ2 3.88Å; W309-W333 HydrophobicContact CB-CH2 4.19Å; W309-W333 HydrophobicContact CB-CZ3 4.05Å; W309-W333 HydrophobicContact CD2-CZ3 4.44Å; W309-W333 HydrophobicContact CE3-CH2 4.33Å; W309-W333 HydrophobicContact CE3-CZ3 4Å; W309-W333 HydrophobicContact CG-CZ3 4.49Å; L312-W333 HydrophobicContact CD1-CH2 4.43Å; L312-W333 HydrophobicContact CD1-CZ2 4.41Å; F323-W333 AromaticContact CE1-NE1 3.95Å; F323-W333 AromaticContact CE2-NE1 3.36Å; F323-W333 HydrophobicContact CZ-CZ2 4.38Å; F323-W333 AromaticContact CZ-NE1 3.16Å; D329-W333 PolarHBondContact O-N 3.3Å; W333-S335 VanDerWaalsContact C-N 3.33Å; W333-S335 PolarHBondContact O-N 3.06Å; W333-Y336 HydrophobicContact CE3-CD1 4.33Å; W333-Y336 HydrophobicContact CZ3-CD1 4.22Å; W333-Y336 WeakPolarHBondContact O-CB 3.45Å; W333-Y336 PolarHBondContact O-N 2.92Å; W333-F337 HydrophobicContact CB-CD2 4.36Å; W333-F337 HydrophobicContact CB-CE2 3.83Å; W333-F337 HydrophobicContact CB-CZ 4.47Å; W333-F337 HydrophobicContact CD2-CE2 4.22Å; W333-F337 AromaticContact CD2-CZ 3.99Å; W333-F337 HydrophobicContact CD2-CZ 3.99Å; W333-F337 AromaticContact CE3-CE1 3.84Å; W333-F337 HydrophobicContact CE3-CE1 3.84Å; W333-F337 AromaticContact CE3-CE2 3.82Å; W333-F337 HydrophobicContact CE3-CE2 3.82Å; W333-F337 AromaticContact CE3-CZ 3.25Å; W333-F337 HydrophobicContact CE3-CZ 3.25Å; W333-F337 HydrophobicContact CG-CE2 4.29Å; W333-F337 HydrophobicContact CZ3-CE1 4.11Å; W333-F337 AromaticContact CZ3-CZ 3.81Å; W333-F337 HydrophobicContact CZ3-CZ 3.81Å; W333-F337 WeakPolarHBondContact O-CD2 3.43Å; W333-F337 VanDerWaalsContact O-CG 3.29Å; W333-F337 WeakPolarHBondContact O-CG 3.37Å; W333-F337 PolarHBondContact O-N 2.77Å; W333-I381 HydrophobicContact CB-CD1 4.2Å; W333-F392 HydrophobicContact CD2-CE1 4.14Å; W333-F392 HydrophobicContact CD2-CE2 4.37Å; W333-F392 AromaticContact CD2-CZ 3.97Å; W333-F392 HydrophobicContact CD2-CZ 3.97Å; W333-F392 AromaticContact CE2-CE1 3.5Å; W333-F392 VanDerWaalsContact CE2-CE1 3.5Å; W333-F392 AromaticContact CE2-CZ 3.75Å; W333-F392 HydrophobicContact CE3-CZ 4.23Å; W333-F392 HydrophobicContact CH2-CE1 4.36Å; W333-F392 HydrophobicContact CH2-CZ 4.18Å; W333-F392 AromaticContact CZ2-CE1 3.63Å; W333-F392 HydrophobicContact CZ2-CE1 3.63Å; W333-F392 AromaticContact CZ2-CZ 3.87Å; W333-F392 HydrophobicContact CZ2-CZ 3.87Å; W333-F392 HydrophobicContact CZ3-CZ 4.34Å; W333-F392 AromaticContact NE1-CD1 3.76Å; W333-F392 AromaticContact NE1-CE1 3.66Å
334	L	96.9	Very high	96.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-36.8	-178.4	-168	62.2	0	0	0	111.9	G330 F332 L338 V368 Y370 W378 A714 I722 F724	G330-L334 WeakPolarHBondContact O-CB 3.34Å; G330-L334 PolarHBondContact O-N 2.67Å; F332-L334 PolarHBondContact O-N 2.83Å; L334-L338 HydrophobicContact CD1-CD1 3.8Å; L334-L338 HydrophobicContact CD1-CG 4.04Å; L334-L338 HydrophobicContact CG-CD1 3.88Å; L334-L338 HydrophobicContact CG-CG 4.37Å; L334-L338 WeakPolarHBondContact O-CB 3.47Å; L334-L338 VanDerWaalsContact O-CG 3.29Å; L334-L338 WeakPolarHBondContact O-CG 3.26Å; L334-L338 PolarHBondContact O-N 3.45Å; L334-V368 HydrophobicContact CD1-CG2 4.41Å; L334-Y370 HydrophobicContact CD1-CD1 3.63Å; L334-Y370 HydrophobicContact CD1-CE1 3.74Å; L334-Y370 HydrophobicContact CD2-CE1 4.48Å; L334-W378 HydrophobicContact CB-CH2 4.36Å; L334-W378 HydrophobicContact CB-CZ3 4.5Å; L334-W378 HydrophobicContact CD2-CH2 3.74Å; L334-W378 HydrophobicContact CD2-CZ3 4.2Å; L334-A714 HydrophobicContact CD2-CB 3.7Å; L334-A714 HydrophobicContact CG-CB 4.46Å; L334-I722 HydrophobicContact CD2-CG2 4.29Å; L334-F724 HydrophobicContact CD2-CE1 4.02Å; L334-F724 HydrophobicContact CD2-CZ 4.07Å
335	S	96.9	Very high	96.6	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-49.4	169.9	-173.5	0	0	0	0	110.5	S331 F332 W333 F337 L338 V339 G903	S331-S335 VanDerWaalsContact O-CB 3.26Å; S331-S335 WeakPolarHBondContact O-CB 3.27Å; S331-S335 PolarHBondContact O-N 3.03Å; F332-S335 PolarHBondContact O-N 2.81Å; W333-S335 VanDerWaalsContact C-N 3.33Å; W333-S335 PolarHBondContact O-N 3.06Å; S335-F337 PolarHBondContact O-N 2.91Å; S335-L338 PolarHBondContact O-N 3.2Å; S335-V339 WeakPolarHBondContact O-CA 3.33Å; S335-V339 WeakPolarHBondContact O-CB 3.45Å; S335-V339 WeakPolarHBondContact O-CG2 3.04Å; S335-V339 PolarHBondContact O-N 3.13Å; S335-G903 WeakPolarHBondContact OG-CA 3.39Å
336	Y	97.6	Very high	96.6	Very high	33 Å²	33	34.3 Å²	34.3	13%	0.129	18%	0.179	C	C	.	.	I	π-helix	trans	-58.9	-47.1	-179.7	-173.6	-106.1	0	0	0	112.3	I305 G306 W309 F332 W333 N340 L341	I305-Y336 HydrophobicContact CD1-CG 4.11Å; I305-Y336 HydrophobicContact CG1-CD1 4.42Å; I305-Y336 HydrophobicContact CG1-CG 4.31Å; I305-Y336 HydrophobicContact CG2-CD2 3.78Å; I305-Y336 HydrophobicContact CG2-CE2 3.97Å; I305-Y336 HydrophobicContact CG2-CG 4.31Å; G306-Y336 WeakPolarHBondContact CA-OH 3.48Å; W309-Y336 HydrophobicContact CB-CE1 4.01Å; W309-Y336 AromaticContact CD1-CE1 3.82Å; W309-Y336 AromaticContact CG-CE1 3.87Å; W309-Y336 HydrophobicContact CG-CE1 3.87Å; F332-Y336 VanDerWaalsContact O-CB 3.28Å; F332-Y336 WeakPolarHBondContact O-CB 3.49Å; F332-Y336 PolarHBondContact O-N 2.97Å; W333-Y336 HydrophobicContact CE3-CD1 4.33Å; W333-Y336 HydrophobicContact CZ3-CD1 4.22Å; W333-Y336 WeakPolarHBondContact O-CB 3.45Å; W333-Y336 PolarHBondContact O-N 2.92Å; Y336-N340 HydrophobicContact CD2-CB 3.78Å; Y336-N340 HydrophobicContact CE2-CB 4.06Å; Y336-N340 HydrophobicContact CG-CB 4.42Å; Y336-N340 WeakPolarHBondContact O-CA 3.35Å; Y336-N340 VanDerWaalsContact O-CB 3.29Å; Y336-N340 WeakPolarHBondContact O-CB 3.43Å; Y336-N340 PolarHBondContact O-N 3.35Å; Y336-L341 HydrophobicContact CD1-CD1 4.13Å; Y336-L341 HydrophobicContact CD1-CG 4.2Å; Y336-L341 HydrophobicContact CE1-CD1 3.69Å; Y336-L341 HydrophobicContact CE1-CD2 4.17Å; Y336-L341 HydrophobicContact CE1-CG 3.84Å; Y336-L341 PolarHBondContact O-N 3.16Å
337	F	97.7	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-66.1	-46.4	178.8	-61	-42.7	0	0	0	112.8	W309 W333 S335 L341 G342 Y343 V368 I381 V383 F392	W309-F337 HydrophobicContact CD2-CE1 4.03Å; W309-F337 AromaticContact CE3-CE1 3.81Å; W309-F337 HydrophobicContact CE3-CE1 3.81Å; W309-F337 HydrophobicContact CE3-CZ 4.08Å; W309-F337 AromaticContact CH2-CE1 3.96Å; W309-F337 HydrophobicContact CH2-CE1 3.96Å; W309-F337 HydrophobicContact CH2-CZ 4.41Å; W309-F337 HydrophobicContact CZ2-CE1 4.14Å; W309-F337 AromaticContact CZ3-CE1 3.78Å; W309-F337 HydrophobicContact CZ3-CE1 3.78Å; W309-F337 AromaticContact CZ3-CZ 3.92Å; W309-F337 HydrophobicContact CZ3-CZ 3.92Å; W333-F337 HydrophobicContact CB-CD2 4.36Å; W333-F337 HydrophobicContact CB-CE2 3.83Å; W333-F337 HydrophobicContact CB-CZ 4.47Å; W333-F337 HydrophobicContact CD2-CE2 4.22Å; W333-F337 AromaticContact CD2-CZ 3.99Å; W333-F337 HydrophobicContact CD2-CZ 3.99Å; W333-F337 AromaticContact CE3-CE1 3.84Å; W333-F337 HydrophobicContact CE3-CE1 3.84Å; W333-F337 AromaticContact CE3-CE2 3.82Å; W333-F337 HydrophobicContact CE3-CE2 3.82Å; W333-F337 AromaticContact CE3-CZ 3.25Å; W333-F337 HydrophobicContact CE3-CZ 3.25Å; W333-F337 HydrophobicContact CG-CE2 4.29Å; W333-F337 HydrophobicContact CZ3-CE1 4.11Å; W333-F337 AromaticContact CZ3-CZ 3.81Å; W333-F337 HydrophobicContact CZ3-CZ 3.81Å; W333-F337 WeakPolarHBondContact O-CD2 3.43Å; W333-F337 VanDerWaalsContact O-CG 3.29Å; W333-F337 WeakPolarHBondContact O-CG 3.37Å; W333-F337 PolarHBondContact O-N 2.77Å; S335-F337 PolarHBondContact O-N 2.91Å; F337-L341 HydrophobicContact CD1-CD1 4.06Å; F337-G342 PolarHBondContact O-N 3.01Å; F337-G342 VanDerWaalsContact O-N 3.09Å; F337-Y343 HydrophobicContact CB-CD2 4.4Å; F337-Y343 HydrophobicContact CD1-CD2 4.16Å; F337-Y343 HydrophobicContact CD1-CE2 4.3Å; F337-Y343 WeakPolarHBondContact O-CB 3.35Å; F337-Y343 PolarHBondContact O-N 3.39Å; F337-V368 HydrophobicContact CB-CB 4.5Å; F337-V368 HydrophobicContact CB-CG1 4.31Å; F337-V368 HydrophobicContact CD2-CG2 4.06Å; F337-I381 HydrophobicContact CD2-CG2 4.43Å; F337-I381 HydrophobicContact CE2-CG2 4.3Å; F337-V383 HydrophobicContact CD1-CG2 4.45Å; F337-V383 HydrophobicContact CD2-CG2 3.84Å; F337-V383 HydrophobicContact CE1-CG2 4.11Å; F337-V383 HydrophobicContact CE2-CG2 3.43Å; F337-V383 VanDerWaalsContact CE2-CG2 3.43Å; F337-V383 HydrophobicContact CG-CG2 4.36Å; F337-V383 HydrophobicContact CZ-CG2 3.6Å; F337-F392 HydrophobicContact CE2-CD2 4.32Å; F337-F392 AromaticContact CE2-CE2 3.77Å; F337-F392 HydrophobicContact CE2-CE2 3.77Å; F337-F392 AromaticContact CZ-CE2 3.6Å; F337-F392 HydrophobicContact CZ-CE2 3.6Å; F337-F392 HydrophobicContact CZ-CZ 4.04Å
338	L	97	Very high	96	Very high	18 Å²	18	34.6 Å²	34.6	9%	0.094	18%	0.181	C	C	.	.	I	π-helix	trans	-82.8	-31.9	-173.5	-61.5	-177.3	0	0	0	113.6	L334 S335 Q345 V368 A714 I722	L334-L338 HydrophobicContact CD1-CD1 3.8Å; L334-L338 HydrophobicContact CD1-CG 4.04Å; L334-L338 HydrophobicContact CG-CD1 3.88Å; L334-L338 HydrophobicContact CG-CG 4.37Å; L334-L338 WeakPolarHBondContact O-CB 3.47Å; L334-L338 VanDerWaalsContact O-CG 3.29Å; L334-L338 WeakPolarHBondContact O-CG 3.26Å; L334-L338 PolarHBondContact O-N 3.45Å; S335-L338 PolarHBondContact O-N 3.2Å; L338-Q345 HydrophobicContact CD2-CG 3.57Å; L338-V368 HydrophobicContact CD2-CG1 3.67Å; L338-A714 HydrophobicContact CD1-CB 4.05Å; L338-I722 HydrophobicContact CB-CD1 4.23Å; L338-I722 HydrophobicContact CD1-CD1 4.15Å
339	V	96.2	Very high	95.5	Very high	40 Å²	40	38.2 Å²	38.2	24%	0.242	20%	0.198	C	C	.	.	I	π-helix	trans	-100.6	-51.8	-174.2	-176.3	0	0	0	0	111.2	S335 T716 K720 I722	S335-V339 WeakPolarHBondContact O-CA 3.33Å; S335-V339 WeakPolarHBondContact O-CB 3.45Å; S335-V339 WeakPolarHBondContact O-CG2 3.04Å; S335-V339 PolarHBondContact O-N 3.13Å; V339-T716 HydrophobicContact CG2-CG2 3.88Å; V339-K720 HydrophobicContact CG1-CB 3.88Å; V339-K720 HydrophobicContact CG1-CD 4.01Å; V339-K720 HydrophobicContact CG1-CG 4.18Å; V339-I722 HydrophobicContact CG2-CD1 3.92Å
340	N	95.4	Very high	94.9	Very high	107 Å²	107	44.4 Å²	44.4	57%	0.572	23%	0.225	S	C	*	.	I	π-helix	trans	-81.5	-45.2	-173.6	-58.8	64.2	0	0	0	111.8	Y336	Y336-N340 HydrophobicContact CD2-CB 3.78Å; Y336-N340 HydrophobicContact CE2-CB 4.06Å; Y336-N340 HydrophobicContact CG-CB 4.42Å; Y336-N340 WeakPolarHBondContact O-CA 3.35Å; Y336-N340 VanDerWaalsContact O-CB 3.29Å; Y336-N340 WeakPolarHBondContact O-CB 3.43Å; Y336-N340 PolarHBondContact O-N 3.35Å
341	L	96.5	Very high	94	Very high	60 Å²	60	46 Å²	46	31%	0.314	24%	0.241	S	C	.	.	S	Bend	trans	-92.4	-16.7	-179.5	-58.7	-170.7	0	0	0	114	Y336 F337 Y343	Y336-L341 HydrophobicContact CD1-CD1 4.13Å; Y336-L341 HydrophobicContact CD1-CG 4.2Å; Y336-L341 HydrophobicContact CE1-CD1 3.69Å; Y336-L341 HydrophobicContact CE1-CD2 4.17Å; Y336-L341 HydrophobicContact CE1-CG 3.84Å; Y336-L341 PolarHBondContact O-N 3.16Å; F337-L341 HydrophobicContact CD1-CD1 4.06Å; L341-Y343 VanDerWaalsContact C-N 3.28Å; L341-Y343 HydrophobicContact CB-CD1 3.63Å; L341-Y343 HydrophobicContact CB-CE1 3.7Å; L341-Y343 HydrophobicContact CB-CG 4.25Å; L341-Y343 HydrophobicContact CD1-CD1 4.42Å; L341-Y343 HydrophobicContact CD1-CE1 3.88Å; L341-Y343 HydrophobicContact CD1-CE2 4.09Å; L341-Y343 HydrophobicContact CG-CE1 4.43Å; L341-Y343 PolarHBondContact O-N 2.87Å
342	G	95.6	Very high	92.9	Very high	54 Å²	54	52.9 Å²	52.9	56%	0.557	27%	0.273	S	S	*	.			trans	63.4	30.8	-179.1	0	0	0	0	0	114	F337	F337-G342 PolarHBondContact O-N 3.01Å; F337-G342 VanDerWaalsContact O-N 3.09Å
343	Y	96.7	Very high	91.8	Very high	30 Å²	30	57.7 Å²	57.7	12%	0.118	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-64.2	142.5	-180	-79.5	11	0	0	0	111.6	W309 F337 L341 N366 V383	W309-Y343 AromaticContact CZ2-CE2 3.92Å; W309-Y343 HydrophobicContact CZ2-CE2 3.92Å; F337-Y343 HydrophobicContact CB-CD2 4.4Å; F337-Y343 HydrophobicContact CD1-CD2 4.16Å; F337-Y343 HydrophobicContact CD1-CE2 4.3Å; F337-Y343 WeakPolarHBondContact O-CB 3.35Å; F337-Y343 PolarHBondContact O-N 3.39Å; L341-Y343 VanDerWaalsContact C-N 3.28Å; L341-Y343 HydrophobicContact CB-CD1 3.63Å; L341-Y343 HydrophobicContact CB-CE1 3.7Å; L341-Y343 HydrophobicContact CB-CG 4.25Å; L341-Y343 HydrophobicContact CD1-CD1 4.42Å; L341-Y343 HydrophobicContact CD1-CE1 3.88Å; L341-Y343 HydrophobicContact CD1-CE2 4.09Å; L341-Y343 HydrophobicContact CG-CE1 4.43Å; L341-Y343 PolarHBondContact O-N 2.87Å; Y343-N366 HydrophobicContact CD1-CB 3.98Å; Y343-N366 HydrophobicContact CE1-CB 3.75Å; Y343-N366 PolarHBondContact OH-OD1 3.19Å; Y343-V383 HydrophobicContact CD2-CG1 3.87Å; Y343-V383 HydrophobicContact CE2-CG1 3.61Å
344	K	94.8	Very high	90.9	Very high	159 Å²	159	61.7 Å²	61.7	69%	0.691	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	144.1	175.9	-67.2	-176.1	-179.5	179.6	0	110	N366 S367 V368	K344-N366 PolarHBondContact N-O 3.34Å; K344-S367 CarbonylContact O-C 3.55Å; K344-S367 WeakPolarHBondContact O-CA 3.28Å; K344-S367 VanDerWaalsContact O-CB 3.25Å; K344-S367 WeakPolarHBondContact O-CB 3.29Å; K344-V368 PolarHBondContact O-N 2.86Å
345	Q	96.3	Very high	90.4	Very high	64 Å²	64	62.4 Å²	62.4	30%	0.299	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.6	172.9	-61.3	-169.6	57.2	0	0	109.8	L338 F347 V368 Y370 A714	L338-Q345 HydrophobicContact CD2-CG 3.57Å; Q345-F347 VanDerWaalsContact C-N 3.25Å; Q345-F347 HydrophobicContact CB-CD2 4.08Å; Q345-F347 PolarHBondContact O-N 3.07Å; Q345-V368 CarbonylContact C-O 3.52Å; Q345-V368 VanDerWaalsContact CA-O 3.27Å; Q345-V368 WeakPolarHBondContact CA-O 3.47Å; Q345-Y370 PolarHBondContact OE1-OH 3.37Å; Q345-A714 PolarHBondContact NE2-O 3.42Å; Q345-A714 PolarHBondContact OE1-O 3.38Å
346	A	95.6	Very high	89.9	Confident	2 Å²	2	65.7 Å²	65.7	2%	0.017	34%	0.342	C	S	.	.			trans	-85.5	63.4	-177.1	0	0	0	0	0	111.9	M358 M363 V368	A346-M358 HydrophobicContact CB-CB 4.41Å; A346-M358 HydrophobicContact CB-SD 3.89Å; A346-M358 WeakPolarHBondContact O-CB 3.43Å; A346-M358 WeakPolarHBondContact O-CG 3.42Å; A346-M358 PolarHBondContact O-N 3Å; A346-M358 VanDerWaalsContact O-N 3.15Å; A346-M363 HydrophobicContact CB-CB 4.3Å; A346-M363 HydrophobicContact CB-CE 3.91Å; A346-M363 HydrophobicContact CB-CG 3.79Å; A346-M363 HydrophobicContact CB-SD 4.44Å; A346-V368 PolarHBondContact N-O 3.3Å
347	F	92.8	Very high	89.5	Confident	21 Å²	21	67.6 Å²	67.6	9%	0.092	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.3	170.6	-64.6	-96.8	0	0	0	108.9	Q345 F355 V356 R357 Y370 I713	Q345-F347 VanDerWaalsContact C-N 3.25Å; Q345-F347 HydrophobicContact CB-CD2 4.08Å; Q345-F347 PolarHBondContact O-N 3.07Å; F347-F355 HydrophobicContact CB-CD1 4.06Å; F347-V356 CarbonylContact C-O 3.54Å; F347-V356 VanDerWaalsContact CA-O 3.31Å; F347-V356 WeakPolarHBondContact CA-O 3.4Å; F347-R357 HydrophobicContact CD1-CB 4.01Å; F347-R357 HydrophobicContact CE1-CB 3.88Å; F347-R357 HydrophobicContact CE1-CG 4.18Å; F347-Y370 HydrophobicContact CE2-CD1 4.27Å; F347-Y370 AromaticContact CE2-CE1 3.81Å; F347-Y370 HydrophobicContact CE2-CE1 3.81Å; F347-Y370 HydrophobicContact CE2-CE2 4.21Å; F347-Y370 AromaticContact CE2-CZ 3.75Å; F347-Y370 HydrophobicContact CZ-CD2 4.21Å; F347-Y370 HydrophobicContact CZ-CE1 4.33Å; F347-Y370 HydrophobicContact CZ-CE2 4.01Å; F347-Y370 HydrophobicContact CZ-CG 4.45Å; F347-I713 HydrophobicContact CD1-CD1 3.61Å; F347-I713 HydrophobicContact CD2-CD1 3.94Å; F347-I713 HydrophobicContact CE1-CD1 3.48Å; F347-I713 VanDerWaalsContact CE1-CD1 3.48Å; F347-I713 HydrophobicContact CE2-CD1 3.83Å; F347-I713 HydrophobicContact CG-CD1 3.84Å; F347-I713 HydrophobicContact CZ-CD1 3.59Å
348	E	88.4	Confident	89.2	Confident	77 Å²	77	69.5 Å²	69.5	36%	0.36	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.8	168	-68.7	-179.5	173	0	0	108.7	F350 F355 V356 M358	E348-F350 HydrophobicContact CB-CE2 3.85Å; E348-F350 HydrophobicContact CB-CZ 3.89Å; E348-F350 VanDerWaalsContact OE2-CZ 3.28Å; E348-F350 WeakPolarHBondContact OE2-CZ 3.26Å; E348-F355 CarbonylContact O-C 3.43Å; E348-F355 VanDerWaalsContact O-CA 3.29Å; E348-F355 WeakPolarHBondContact O-CA 3.14Å; E348-V356 PolarHBondContact N-O 3.38Å; E348-V356 PolarHBondContact O-N 2.78Å; E348-M358 HydrophobicContact CB-CE 4.48Å; E348-M358 HydrophobicContact CG-CE 3.48Å; E348-M358 VanDerWaalsContact CG-CE 3.48Å; E348-M358 HydrophobicContact CG-CG 3.84Å
349	Q	85.4	Confident	88.8	Confident	114 Å²	114	74.9 Å²	74.9	53%	0.533	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.1	179	-175.4	177.7	-0.8	0	0	109.2	G351 D354 F355	Q349-G351 WeakPolarHBondContact CG-O 3.32Å; Q349-G351 PolarHBondContact NE2-O 3.36Å; Q349-D354 WeakPolarHBondContact CA-O 3.5Å; Q349-F355 HydrophobicContact CB-CD1 4.1Å; Q349-F355 HydrophobicContact CB-CE1 3.67Å; Q349-F355 HydrophobicContact CB-CZ 4.2Å; Q349-F355 HydrophobicContact CG-CD1 4.26Å; Q349-F355 HydrophobicContact CG-CE1 3.55Å; Q349-F355 HydrophobicContact CG-CE2 4.33Å; Q349-F355 HydrophobicContact CG-CZ 3.54Å
350	F	83.6	Confident	88.5	Confident	133 Å²	133	75.6 Å²	75.6	58%	0.583	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	-12.8	179.1	-59.9	-76	0	0	0	113.2	E348 D354 V356	E348-F350 HydrophobicContact CB-CE2 3.85Å; E348-F350 HydrophobicContact CB-CZ 3.89Å; E348-F350 VanDerWaalsContact OE2-CZ 3.28Å; E348-F350 WeakPolarHBondContact OE2-CZ 3.26Å; F350-D354 HydrophobicContact CB-CB 4.18Å; F350-D354 PolarHBondContact N-O 3.09Å; F350-V356 HydrophobicContact CD2-CG2 4.15Å; F350-V356 HydrophobicContact CE2-CB 4.02Å; F350-V356 HydrophobicContact CE2-CG2 3.69Å
351	G	78.5	Confident	88.2	Confident	33 Å²	33	78.1 Å²	78.1	34%	0.34	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	-171.2	178.5	0	0	0	0	0	110.9	Q349 N353	Q349-G351 WeakPolarHBondContact CG-O 3.32Å; Q349-G351 PolarHBondContact NE2-O 3.36Å; G351-N353 PolarHBondContact O-N 3.37Å
352	E	73.1	Confident	87.9	Confident	158 Å²	158	79.5 Å²	79.5	74%	0.738	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.3	-176.6	-165.4	177.8	177	0	0	113	F355 R725	E352-F355 WeakPolarHBondContact O-CE2 3.45Å; E352-R725 PolarHBondContact O-NH1 2.81Å
353	N	74.5	Confident	87.8	Confident	104 Å²	104	77 Å²	77	56%	0.556	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	17.8	-175.7	-67	-50.9	0	0	0	113.7	G351 I727	G351-N353 PolarHBondContact O-N 3.37Å; N353-I727 VanDerWaalsContact O-CG2 3.31Å; N353-I727 WeakPolarHBondContact O-CG2 3.27Å
354	D	80.2	Confident	87.7	Confident	85 Å²	85	78.7 Å²	78.7	46%	0.455	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	104.5	180	-166.1	-0.9	0	0	0	109.4	Q349 F350	Q349-D354 WeakPolarHBondContact CA-O 3.5Å; F350-D354 HydrophobicContact CB-CB 4.18Å; F350-D354 PolarHBondContact N-O 3.09Å
355	F	85.8	Confident	87.7	Confident	16 Å²	16	74.9 Å²	74.9	7%	0.07	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.6	-176.1	-70.3	-88.7	0	0	0	109.8	F347 E348 Q349 E352 F711 I713 R725 I727	F347-F355 HydrophobicContact CB-CD1 4.06Å; E348-F355 CarbonylContact O-C 3.43Å; E348-F355 VanDerWaalsContact O-CA 3.29Å; E348-F355 WeakPolarHBondContact O-CA 3.14Å; Q349-F355 HydrophobicContact CB-CD1 4.1Å; Q349-F355 HydrophobicContact CB-CE1 3.67Å; Q349-F355 HydrophobicContact CB-CZ 4.2Å; Q349-F355 HydrophobicContact CG-CD1 4.26Å; Q349-F355 HydrophobicContact CG-CE1 3.55Å; Q349-F355 HydrophobicContact CG-CE2 4.33Å; Q349-F355 HydrophobicContact CG-CZ 3.54Å; E352-F355 WeakPolarHBondContact O-CE2 3.45Å; F355-F711 HydrophobicContact CB-CE2 4.12Å; F355-F711 HydrophobicContact CB-CZ 3.93Å; F355-F711 WeakPolarHBondContact O-CZ 3.26Å; F355-I713 HydrophobicContact CB-CD1 4.49Å; F355-I713 HydrophobicContact CB-CG1 4.45Å; F355-I713 HydrophobicContact CD2-CG1 4.44Å; F355-I713 HydrophobicContact CG-CG1 4.2Å; F355-R725 VanDerWaalsContact CZ-CZ 3.41Å; F355-I727 HydrophobicContact CD2-CD1 3.77Å; F355-I727 HydrophobicContact CD2-CG1 3.96Å; F355-I727 HydrophobicContact CE2-CD1 4.06Å
356	V	85.8	Confident	87.7	Confident	71 Å²	71	75.5 Å²	75.5	43%	0.43	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.7	171.4	-179.8	0	0	0	0	108.4	F347 E348 F350 M358	F347-V356 CarbonylContact C-O 3.54Å; F347-V356 VanDerWaalsContact CA-O 3.31Å; F347-V356 WeakPolarHBondContact CA-O 3.4Å; E348-V356 PolarHBondContact N-O 3.38Å; E348-V356 PolarHBondContact O-N 2.78Å; F350-V356 HydrophobicContact CD2-CG2 4.15Å; F350-V356 HydrophobicContact CE2-CB 4.02Å; F350-V356 HydrophobicContact CE2-CG2 3.69Å; V356-M358 PolarHBondContact O-N 3.33Å
357	R	89.6	Confident	87.8	Confident	74 Å²	74	75.5 Å²	75.5	28%	0.279	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	125.5	174.7	-177.1	177	176.3	-176.7	2.2	109.3	F347 S369 D380 T382	F347-R357 HydrophobicContact CD1-CB 4.01Å; F347-R357 HydrophobicContact CE1-CB 3.88Å; F347-R357 HydrophobicContact CE1-CG 4.18Å; R357-S369 PolarHBondContact NE-OG 3.41Å; R357-S369 PolarHBondContact NH2-OG 2.92Å; R357-D380 IonicContact CZ-OD1 3.28Å; R357-D380 IonicContact NH1-OD1 3.4Å; R357-D380 PolarHBondContact NH1-OD1 3.22Å; R357-D380 IonicContact NH1-OD2 3Å; R357-D380 PolarHBondContact NH1-OD2 3.13Å; R357-D380 IonicContact NH2-OD1 2.86Å; R357-D380 PolarHBondContact NH2-OD1 2.88Å; R357-T382 PolarHBondContact NH2-OG1 3.47Å
358	M	91.9	Very high	88	Confident	39 Å²	39	74.5 Å²	74.5	19%	0.192	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-63.7	146	175.6	-67.9	172.8	176.1	0	0	110.5	A346 E348 V356 M363	A346-M358 HydrophobicContact CB-CB 4.41Å; A346-M358 HydrophobicContact CB-SD 3.89Å; A346-M358 WeakPolarHBondContact O-CB 3.43Å; A346-M358 WeakPolarHBondContact O-CG 3.42Å; A346-M358 PolarHBondContact O-N 3Å; A346-M358 VanDerWaalsContact O-N 3.15Å; E348-M358 HydrophobicContact CB-CE 4.48Å; E348-M358 HydrophobicContact CG-CE 3.48Å; E348-M358 VanDerWaalsContact CG-CE 3.48Å; E348-M358 HydrophobicContact CG-CG 3.84Å; V356-M358 PolarHBondContact O-N 3.33Å; M358-M363 HydrophobicContact CB-CG 4.18Å
359	K	89.1	Confident	88.4	Confident	132 Å²	132	70.8 Å²	70.8	57%	0.574	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-70.5	149.7	171.2	-62.1	172.7	-174.6	158.6	0	109.4	K361 E362 M363	K359-K361 HydrophobicContact CB-CG 4.21Å; K359-K361 PolarHBondContact O-N 3.26Å; K359-E362 WeakPolarHBondContact CB-OE2 3.41Å; K359-E362 PolarHBondContact N-OE2 3.23Å; K359-E362 WeakPolarHBondContact O-CA 3.36Å; K359-E362 WeakPolarHBondContact O-CB 3.2Å; K359-E362 PolarHBondContact O-N 3.47Å; K359-M363 PolarHBondContact O-N 3.15Å; K359-M363 VanDerWaalsContact O-N 3.13Å
360	N	90.1	Very high	89	Confident	55 Å²	55	65.6 Å²	65.6	29%	0.294	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-39.3	-177.6	-65.3	8.8	0	0	0	113.5	E362 M363 I389 E391	N360-E362 VanDerWaalsContact C-N 3.34Å; N360-E362 PolarHBondContact O-N 3.45Å; N360-M363 PolarHBondContact O-N 2.93Å; N360-I389 HydrophobicContact CB-CD1 4.08Å; N360-I389 HydrophobicContact CB-CG1 4.34Å; N360-E391 PolarHBondContact ND2-OE1 3.06Å
361	K	87.2	Confident	89.5	Confident	160 Å²	160	61.1 Å²	61.1	70%	0.696	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.7	177.3	62.8	174.1	-170.7	169.4	0	114.1	K359 K384	K359-K361 HydrophobicContact CB-CG 4.21Å; K359-K361 PolarHBondContact O-N 3.26Å; K361-K384 PolarHBondContact O-NZ 3.44Å
362	E	91.1	Very high	90.3	Very high	88 Å²	88	59.6 Å²	59.6	41%	0.411	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-17.7	-177	-73.7	145.8	-157.2	0	0	112.2	K359 N360	K359-E362 WeakPolarHBondContact CB-OE2 3.41Å; K359-E362 PolarHBondContact N-OE2 3.23Å; K359-E362 WeakPolarHBondContact O-CA 3.36Å; K359-E362 WeakPolarHBondContact O-CB 3.2Å; K359-E362 PolarHBondContact O-N 3.47Å; N360-E362 VanDerWaalsContact C-N 3.34Å; N360-E362 PolarHBondContact O-N 3.45Å
363	M	93.6	Very high	91.3	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.015	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-56.3	136.4	175.4	-66.7	178.6	59.8	0	0	110.2	A346 M358 K359 N360 T382 K384	A346-M363 HydrophobicContact CB-CB 4.3Å; A346-M363 HydrophobicContact CB-CE 3.91Å; A346-M363 HydrophobicContact CB-CG 3.79Å; A346-M363 HydrophobicContact CB-SD 4.44Å; M358-M363 HydrophobicContact CB-CG 4.18Å; K359-M363 PolarHBondContact O-N 3.15Å; K359-M363 VanDerWaalsContact O-N 3.13Å; N360-M363 PolarHBondContact O-N 2.93Å; M363-T382 HydrophobicContact CE-CG2 4.23Å; M363-T382 WeakPolarHBondContact CE-O 3.15Å; M363-T382 HydrophobicContact SD-CG2 3.88Å; M363-K384 HydrophobicContact CB-CB 4.06Å; M363-K384 HydrophobicContact CB-CD 3.84Å; M363-K384 HydrophobicContact CE-CB 4.02Å; M363-K384 WeakPolarHBondContact O-CD 3.45Å; M363-K384 WeakPolarHBondContact O-CE 3.43Å; M363-K384 PolarHBondContact O-NZ 3.36Å
364	P	94.5	Very high	92.1	Very high	65 Å²	65	49.2 Å²	49.2	42%	0.422	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-75.7	157.3	169.4	27.9	-30.1	0	0	0	111	S367	P364-S367 WeakPolarHBondContact CD-OG 3.44Å; P364-S367 WeakPolarHBondContact O-CB 3.47Å; P364-S367 PolarHBondContact O-OG 3.33Å
365	N	94.7	Very high	92.6	Very high	78 Å²	78	53.1 Å²	53.1	42%	0.417	27%	0.272	S	S	.	.	S	Bend	trans	-61.7	151.2	169.7	-78.4	-11.6	0	0	0	110.8	K384 G387	N365-K384 CarbonylContact C-O 3.53Å; N365-K384 WeakPolarHBondContact OD1-CG 3.19Å; N365-G387 PolarHBondContact ND2-N 2.88Å; N365-G387 WeakPolarHBondContact OD1-CA 3.48Å; N365-G387 PolarHBondContact OD1-N 3.22Å
366	N	96.3	Very high	93	Very high	78 Å²	78	52.6 Å²	52.6	42%	0.417	27%	0.272	S	S	.	.	S	Bend	trans	59.4	45.4	-174.3	-53.8	-39	0	0	0	112.3	Y343 K344 K384	Y343-N366 HydrophobicContact CD1-CB 3.98Å; Y343-N366 HydrophobicContact CE1-CB 3.75Å; Y343-N366 PolarHBondContact OH-OD1 3.19Å; K344-N366 PolarHBondContact N-O 3.34Å; N366-K384 WeakPolarHBondContact CA-O 3.34Å; N366-K384 PolarHBondContact N-O 2.58Å
367	S	97.5	Very high	93.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155	177.4	75.9	0	0	0	0	113.1	K344 P364 V383 K384	K344-S367 CarbonylContact O-C 3.55Å; K344-S367 WeakPolarHBondContact O-CA 3.28Å; K344-S367 VanDerWaalsContact O-CB 3.25Å; K344-S367 WeakPolarHBondContact O-CB 3.29Å; P364-S367 WeakPolarHBondContact CD-OG 3.44Å; P364-S367 WeakPolarHBondContact O-CB 3.47Å; P364-S367 PolarHBondContact O-OG 3.33Å; S367-V383 WeakPolarHBondContact O-CA 3.43Å; S367-K384 PolarHBondContact N-O 3.41Å; S367-K384 PolarHBondContact O-N 3.36Å
368	V	97.7	Very high	93.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.7	-177.6	60.6	0	0	0	0	111	L334 F337 L338 K344 Q345 A346 Y370 I381 T382 V383	L334-V368 HydrophobicContact CD1-CG2 4.41Å; F337-V368 HydrophobicContact CB-CB 4.5Å; F337-V368 HydrophobicContact CB-CG1 4.31Å; F337-V368 HydrophobicContact CD2-CG2 4.06Å; L338-V368 HydrophobicContact CD2-CG1 3.67Å; K344-V368 PolarHBondContact O-N 2.86Å; Q345-V368 CarbonylContact C-O 3.52Å; Q345-V368 VanDerWaalsContact CA-O 3.27Å; Q345-V368 WeakPolarHBondContact CA-O 3.47Å; A346-V368 PolarHBondContact N-O 3.3Å; V368-Y370 HydrophobicContact CG2-CD1 4.39Å; V368-I381 HydrophobicContact CG2-CG2 3.56Å; V368-T382 CarbonylContact C-O 3.57Å; V368-T382 WeakPolarHBondContact CA-O 3.49Å; V368-V383 HydrophobicContact CB-CG2 4.3Å; V368-V383 HydrophobicContact CG2-CG2 3.98Å
369	S	96.8	Very high	93.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	165.8	164.8	68.2	0	0	0	0	109.6	R357 I381 T382	R357-S369 PolarHBondContact NE-OG 3.41Å; R357-S369 PolarHBondContact NH2-OG 2.92Å; S369-I381 CarbonylContact O-C 3.54Å; S369-I381 WeakPolarHBondContact O-CA 3.43Å; S369-T382 PolarHBondContact N-O 3.42Å; S369-T382 PolarHBondContact O-N 2.89Å
370	Y	96.7	Very high	94.3	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	160.9	-179.8	45.7	-94.3	0	0	0	110.9	L334 Q345 F347 V368 I372 D380 K712 A714	L334-Y370 HydrophobicContact CD1-CD1 3.63Å; L334-Y370 HydrophobicContact CD1-CE1 3.74Å; L334-Y370 HydrophobicContact CD2-CE1 4.48Å; Q345-Y370 PolarHBondContact OE1-OH 3.37Å; F347-Y370 HydrophobicContact CE2-CD1 4.27Å; F347-Y370 AromaticContact CE2-CE1 3.81Å; F347-Y370 HydrophobicContact CE2-CE1 3.81Å; F347-Y370 HydrophobicContact CE2-CE2 4.21Å; F347-Y370 AromaticContact CE2-CZ 3.75Å; F347-Y370 HydrophobicContact CZ-CD2 4.21Å; F347-Y370 HydrophobicContact CZ-CE1 4.33Å; F347-Y370 HydrophobicContact CZ-CE2 4.01Å; F347-Y370 HydrophobicContact CZ-CG 4.45Å; V368-Y370 HydrophobicContact CG2-CD1 4.39Å; Y370-I372 HydrophobicContact CD2-CD1 3.6Å; Y370-I372 HydrophobicContact CD2-CG1 3.93Å; Y370-I372 HydrophobicContact CE2-CD1 4.08Å; Y370-I372 HydrophobicContact CG-CD1 4.35Å; Y370-D380 CarbonylContact C-O 3.54Å; Y370-D380 VanDerWaalsContact CA-O 3.24Å; Y370-D380 WeakPolarHBondContact CA-O 3.39Å; Y370-D380 WeakPolarHBondContact CB-O 3.48Å; Y370-K712 WeakPolarHBondContact CE2-O 3.47Å; Y370-A714 HydrophobicContact CE1-CB 4.4Å; Y370-A714 HydrophobicContact CE2-CB 4.38Å; Y370-A714 WeakPolarHBondContact OH-CB 3.45Å; Y370-A714 PolarHBondContact OH-N 3.01Å
371	S	95	Very high	94.6	Very high	39 Å²	39	43.1 Å²	43.1	27%	0.273	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	102.5	177.5	-177.3	0	0	0	0	110.2	Y379 D380	S371-Y379 PolarHBondContact O-N 3.38Å; S371-D380 WeakPolarHBondContact CB-OD2 3.5Å; S371-D380 PolarHBondContact N-O 2.9Å
372	I	96.1	Very high	95.1	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	117.7	177.9	-56.1	168.4	0	0	0	107.6	Y370 Q377 W378 F711 K712 F724	Y370-I372 HydrophobicContact CD2-CD1 3.6Å; Y370-I372 HydrophobicContact CD2-CG1 3.93Å; Y370-I372 HydrophobicContact CE2-CD1 4.08Å; Y370-I372 HydrophobicContact CG-CD1 4.35Å; I372-Q377 CarbonylContact C-O 3.59Å; I372-Q377 WeakPolarHBondContact CA-O 3.4Å; I372-W378 HydrophobicContact CD1-CD2 3.71Å; I372-W378 HydrophobicContact CD1-CE3 3.82Å; I372-W378 HydrophobicContact CD1-CG 4.47Å; I372-W378 HydrophobicContact CD1-CH2 3.69Å; I372-W378 HydrophobicContact CD1-CZ2 3.56Å; I372-W378 HydrophobicContact CD1-CZ3 3.8Å; I372-W378 HydrophobicContact CG1-CD2 3.68Å; I372-W378 HydrophobicContact CG1-CE3 3.97Å; I372-W378 HydrophobicContact CG1-CG 3.98Å; I372-W378 HydrophobicContact CG1-CZ2 4.43Å; I372-W378 HydrophobicContact CG1-CZ3 4.44Å; I372-W378 HydrophobicContact CG2-CG 4.33Å; I372-F711 CarbonylContact O-C 3.55Å; I372-F711 WeakPolarHBondContact O-CA 3.4Å; I372-F711 VanDerWaalsContact O-CB 3.29Å; I372-F711 WeakPolarHBondContact O-CB 3.43Å; I372-K712 HydrophobicContact CB-CB 4.22Å; I372-K712 HydrophobicContact CG2-CB 4.03Å; I372-K712 HydrophobicContact CG2-CD 4.16Å; I372-K712 HydrophobicContact CG2-CG 4.4Å; I372-K712 PolarHBondContact O-N 3.23Å; I372-F724 HydrophobicContact CD1-CD1 4.3Å; I372-F724 HydrophobicContact CD1-CE1 3.54Å; I372-F724 HydrophobicContact CD1-CZ 4.31Å
373	S	93.5	Very high	95.4	Very high	24 Å²	24	31.3 Å²	31.3	17%	0.168	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-65.8	162.7	179.9	75.5	0	0	0	0	112.5	M375 G376 Q377 D710	S373-M375 PolarHBondContact O-N 2.9Å; S373-M375 VanDerWaalsContact O-N 3.13Å; S373-M375 PolarHBondContact OG-N 3.01Å; S373-G376 WeakPolarHBondContact O-CA 3.49Å; S373-G376 PolarHBondContact O-N 3.13Å; S373-G376 PolarHBondContact OG-N 2.81Å; S373-Q377 PolarHBondContact N-O 3.04Å; S373-Q377 WeakPolarHBondContact OG-CB 3.35Å; S373-Q377 PolarHBondContact OG-N 3.45Å; S373-Q377 VanDerWaalsContact OG-N 3.11Å; S373-D710 CarbonylContact C-O 3.48Å
374	G	91.3	Very high	95.5	Very high	19 Å²	19	32.8 Å²	32.8	20%	0.196	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.9	174	0	0	0	0	0	112.7	G376 D710 K712	G374-G376 VanDerWaalsContact C-N 3.27Å; G374-G376 PolarHBondContact O-N 3.47Å; G374-D710 PolarHBondContact N-O 2.77Å; G374-K712 WeakPolarHBondContact O-CE 3.4Å
375	M	91.3	Very high	95.5	Very high	167 Å²	167	29.9 Å²	29.9	82%	0.823	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-0	173.2	-62.3	-59.2	-67.3	0	0	113.7	S373	S373-M375 PolarHBondContact O-N 2.9Å; S373-M375 VanDerWaalsContact O-N 3.13Å; S373-M375 PolarHBondContact OG-N 3.01Å
376	G	93	Very high	95.3	Very high	6 Å²	6	31.6 Å²	31.6	6%	0.062	17%	0.167	C	C	.	.			trans	77.4	27.3	178.7	0	0	0	0	0	114.6	S373 G374	S373-G376 WeakPolarHBondContact O-CA 3.49Å; S373-G376 PolarHBondContact O-N 3.13Å; S373-G376 PolarHBondContact OG-N 2.81Å; G374-G376 VanDerWaalsContact C-N 3.27Å; G374-G376 PolarHBondContact O-N 3.47Å
377	Q	93.5	Very high	94.8	Very high	87 Å²	87	30.1 Å²	30.1	41%	0.407	17%	0.17	S	C	.	.			trans	-86.6	123.4	169.8	-62.9	-64.1	-35.8	0	0	109.2	I372 S373 Y379	I372-Q377 CarbonylContact C-O 3.59Å; I372-Q377 WeakPolarHBondContact CA-O 3.4Å; S373-Q377 PolarHBondContact N-O 3.04Å; S373-Q377 WeakPolarHBondContact OG-CB 3.35Å; S373-Q377 PolarHBondContact OG-N 3.45Å; S373-Q377 VanDerWaalsContact OG-N 3.11Å; Q377-Y379 HydrophobicContact CB-CE2 4.26Å
378	W	96.7	Very high	94.5	Very high	6 Å²	6	30.4 Å²	30.4	2%	0.023	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	140.1	178.6	-67.3	55.4	0	0	0	109.2	K327 G330 L334 I372 I381 K397 F724	K327-W378 HydrophobicContact CB-CB 4.27Å; K327-W378 HydrophobicContact CB-CG 3.91Å; K327-W378 HydrophobicContact CG-CG 4.32Å; G330-W378 WeakPolarHBondContact O-CZ3 3.48Å; L334-W378 HydrophobicContact CB-CH2 4.36Å; L334-W378 HydrophobicContact CB-CZ3 4.5Å; L334-W378 HydrophobicContact CD2-CH2 3.74Å; L334-W378 HydrophobicContact CD2-CZ3 4.2Å; I372-W378 HydrophobicContact CD1-CD2 3.71Å; I372-W378 HydrophobicContact CD1-CE3 3.82Å; I372-W378 HydrophobicContact CD1-CG 4.47Å; I372-W378 HydrophobicContact CD1-CH2 3.69Å; I372-W378 HydrophobicContact CD1-CZ2 3.56Å; I372-W378 HydrophobicContact CD1-CZ3 3.8Å; I372-W378 HydrophobicContact CG1-CD2 3.68Å; I372-W378 HydrophobicContact CG1-CE3 3.97Å; I372-W378 HydrophobicContact CG1-CG 3.98Å; I372-W378 HydrophobicContact CG1-CZ2 4.43Å; I372-W378 HydrophobicContact CG1-CZ3 4.44Å; I372-W378 HydrophobicContact CG2-CG 4.33Å; W378-I381 HydrophobicContact CE3-CD1 4.21Å; W378-I381 HydrophobicContact CE3-CG1 4.36Å; W378-I381 HydrophobicContact CZ3-CD1 3.8Å; W378-I381 HydrophobicContact CZ3-CG1 4.25Å; W378-K397 WeakPolarHBondContact O-CE 3.38Å; W378-K397 PolarHBondContact O-NZ 3.1Å; W378-F724 HydrophobicContact CH2-CE1 4.34Å; W378-F724 AromaticContact CH2-CZ 3.87Å; W378-F724 HydrophobicContact CH2-CZ 3.87Å; W378-F724 HydrophobicContact CZ2-CE1 4.01Å; W378-F724 HydrophobicContact CZ2-CE2 4.33Å; W378-F724 AromaticContact CZ2-CZ 3.48Å; W378-F724 HydrophobicContact CZ2-CZ 3.48Å; W378-F724 VanDerWaalsContact CZ2-CZ 3.48Å
379	Y	96.1	Very high	94.3	Very high	66 Å²	66	31.2 Å²	31.2	26%	0.259	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-48.4	177.8	-64	-85	0	0	0	111.5	S371 Q377 D394 K397 L461 T462	S371-Y379 PolarHBondContact O-N 3.38Å; Q377-Y379 HydrophobicContact CB-CE2 4.26Å; Y379-D394 PolarHBondContact O-N 2.88Å; Y379-D394 VanDerWaalsContact O-N 3.08Å; Y379-K397 HydrophobicContact CD1-CD 4.29Å; Y379-K397 HydrophobicContact CD1-CG 4.16Å; Y379-K397 HydrophobicContact CE1-CD 4.14Å; Y379-K397 HydrophobicContact CE1-CG 4.49Å; Y379-L461 HydrophobicContact CD1-CD2 4.43Å; Y379-T462 HydrophobicContact CD1-CG2 3.97Å; Y379-T462 HydrophobicContact CE1-CG2 3.94Å
380	D	97	Very high	94.2	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.07	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	157.5	-179.2	65.8	89.4	0	0	0	113.2	R357 Y370 S371 F392 R393	R357-D380 IonicContact CZ-OD1 3.28Å; R357-D380 IonicContact NH1-OD1 3.4Å; R357-D380 PolarHBondContact NH1-OD1 3.22Å; R357-D380 IonicContact NH1-OD2 3Å; R357-D380 PolarHBondContact NH1-OD2 3.13Å; R357-D380 IonicContact NH2-OD1 2.86Å; R357-D380 PolarHBondContact NH2-OD1 2.88Å; Y370-D380 CarbonylContact C-O 3.54Å; Y370-D380 VanDerWaalsContact CA-O 3.24Å; Y370-D380 WeakPolarHBondContact CA-O 3.39Å; Y370-D380 WeakPolarHBondContact CB-O 3.48Å; S371-D380 WeakPolarHBondContact CB-OD2 3.5Å; S371-D380 PolarHBondContact N-O 2.9Å; D380-F392 CarbonylContact C-O 3.28Å; D380-F392 WeakPolarHBondContact CA-O 3.44Å; D380-F392 WeakPolarHBondContact CB-O 3.33Å; D380-R393 HydrophobicContact CB-CG 4.25Å
381	I	97.9	Very high	94.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.8	165.3	-54	170	0	0	0	106.5	L326 W333 F337 V368 S369 W378 V383 E391 F392	L326-I381 HydrophobicContact CD1-CD1 4.33Å; L326-I381 HydrophobicContact CD2-CG1 4.44Å; W333-I381 HydrophobicContact CB-CD1 4.2Å; F337-I381 HydrophobicContact CD2-CG2 4.43Å; F337-I381 HydrophobicContact CE2-CG2 4.3Å; V368-I381 HydrophobicContact CG2-CG2 3.56Å; S369-I381 CarbonylContact O-C 3.54Å; S369-I381 WeakPolarHBondContact O-CA 3.43Å; W378-I381 HydrophobicContact CE3-CD1 4.21Å; W378-I381 HydrophobicContact CE3-CG1 4.36Å; W378-I381 HydrophobicContact CZ3-CD1 3.8Å; W378-I381 HydrophobicContact CZ3-CG1 4.25Å; I381-V383 HydrophobicContact CG2-CG2 4.46Å; I381-E391 CarbonylContact O-C 3.51Å; I381-E391 WeakPolarHBondContact O-CA 3.33Å; I381-F392 HydrophobicContact CB-CB 4.23Å; I381-F392 HydrophobicContact CB-CD2 4.15Å; I381-F392 HydrophobicContact CG2-CD2 4.32Å; I381-F392 PolarHBondContact N-O 2.89Å; I381-F392 PolarHBondContact O-N 3.39Å
382	T	97.5	Very high	94.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.5	179.1	-57.1	0	0	0	0	109.7	R357 M363 V368 S369 I389 I390 E391	R357-T382 PolarHBondContact NH2-OG1 3.47Å; M363-T382 HydrophobicContact CE-CG2 4.23Å; M363-T382 WeakPolarHBondContact CE-O 3.15Å; M363-T382 HydrophobicContact SD-CG2 3.88Å; V368-T382 CarbonylContact C-O 3.57Å; V368-T382 WeakPolarHBondContact CA-O 3.49Å; S369-T382 PolarHBondContact N-O 3.42Å; S369-T382 PolarHBondContact O-N 2.89Å; T382-I389 HydrophobicContact CG2-CG2 3.66Å; T382-I390 WeakPolarHBondContact CA-O 3.43Å; T382-E391 HydrophobicContact CG2-CG 3.88Å
383	V	97.4	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.1	178	-173.7	0	0	0	0	109	W309 F337 Y343 S367 V368 I381 I389 I390 F392	W309-V383 HydrophobicContact CH2-CB 4.13Å; W309-V383 HydrophobicContact CH2-CG1 3.58Å; W309-V383 HydrophobicContact CZ2-CG1 4.2Å; W309-V383 HydrophobicContact CZ3-CG1 4.45Å; F337-V383 HydrophobicContact CD1-CG2 4.45Å; F337-V383 HydrophobicContact CD2-CG2 3.84Å; F337-V383 HydrophobicContact CE1-CG2 4.11Å; F337-V383 HydrophobicContact CE2-CG2 3.43Å; F337-V383 VanDerWaalsContact CE2-CG2 3.43Å; F337-V383 HydrophobicContact CG-CG2 4.36Å; F337-V383 HydrophobicContact CZ-CG2 3.6Å; Y343-V383 HydrophobicContact CD2-CG1 3.87Å; Y343-V383 HydrophobicContact CE2-CG1 3.61Å; S367-V383 WeakPolarHBondContact O-CA 3.43Å; V368-V383 HydrophobicContact CB-CG2 4.3Å; V368-V383 HydrophobicContact CG2-CG2 3.98Å; I381-V383 HydrophobicContact CG2-CG2 4.46Å; V383-I389 WeakPolarHBondContact O-CA 3.49Å; V383-I390 PolarHBondContact N-O 3.23Å; V383-I390 PolarHBondContact O-N 2.92Å; V383-F392 HydrophobicContact CG2-CE2 4.07Å
384	K	95.7	Very high	94.6	Very high	33 Å²	33	31.6 Å²	31.6	14%	0.143	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.2	168.6	-168.9	178.6	-175.3	169.7	0	109.9	K361 M363 N365 N366 S367 Q388 I389	K361-K384 PolarHBondContact O-NZ 3.44Å; M363-K384 HydrophobicContact CB-CB 4.06Å; M363-K384 HydrophobicContact CB-CD 3.84Å; M363-K384 HydrophobicContact CE-CB 4.02Å; M363-K384 WeakPolarHBondContact O-CD 3.45Å; M363-K384 WeakPolarHBondContact O-CE 3.43Å; M363-K384 PolarHBondContact O-NZ 3.36Å; N365-K384 CarbonylContact C-O 3.53Å; N365-K384 WeakPolarHBondContact OD1-CG 3.19Å; N366-K384 WeakPolarHBondContact CA-O 3.34Å; N366-K384 PolarHBondContact N-O 2.58Å; S367-K384 PolarHBondContact N-O 3.41Å; S367-K384 PolarHBondContact O-N 3.36Å; K384-Q388 VanDerWaalsContact CA-O 3.3Å; K384-Q388 WeakPolarHBondContact CA-O 2.99Å; K384-I389 HydrophobicContact CB-CD1 3.69Å; K384-I389 HydrophobicContact CD-CD1 3.89Å; K384-I389 HydrophobicContact CG-CD1 3.61Å
385	V	94.1	Very high	94.8	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.024	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.7	-179	61.2	0	0	0	0	108.5	W309 K313 G387 Q388 I390	W309-V385 HydrophobicContact CH2-CB 4.39Å; W309-V385 HydrophobicContact CH2-CG1 3.79Å; W309-V385 HydrophobicContact CZ2-CB 4.2Å; W309-V385 HydrophobicContact CZ2-CG1 3.94Å; W309-V385 HydrophobicContact CZ2-CG2 4.31Å; K313-V385 HydrophobicContact CB-CG1 4.22Å; V385-G387 PolarHBondContact O-N 2.91Å; V385-Q388 PolarHBondContact N-O 2.94Å; V385-Q388 WeakPolarHBondContact O-CA 3.48Å; V385-Q388 WeakPolarHBondContact O-CB 3.46Å; V385-Q388 PolarHBondContact O-N 2.83Å; V385-I390 HydrophobicContact CG1-CD1 3.97Å
386	N	89.8	Confident	95.1	Very high	115 Å²	115	25 Å²	25	62%	0.615	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	30	179.2	-57.5	-24.6	0	0	0	115.4	Q388	N386-Q388 PolarHBondContact O-N 3.32Å
387	G	86.3	Confident	95.1	Very high	46 Å²	46	26.1 Å²	26.1	47%	0.474	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-14.7	-174.6	0	0	0	0	0	114.8	N365 V385	N365-G387 PolarHBondContact ND2-N 2.88Å; N365-G387 WeakPolarHBondContact OD1-CA 3.48Å; N365-G387 PolarHBondContact OD1-N 3.22Å; V385-G387 PolarHBondContact O-N 2.91Å
388	Q	90.1	Very high	95.1	Very high	8 Å²	8	22 Å²	22	4%	0.037	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	144.8	177.1	-170.2	-173.4	-12.3	0	0	111.4	L312 K313 E317 K384 V385 N386 I390	L312-Q388 PolarHBondContact O-NE2 3.28Å; K313-Q388 PolarHBondContact O-OE1 3.42Å; E317-Q388 WeakPolarHBondContact O-CG 3.47Å; E317-Q388 PolarHBondContact O-NE2 2.86Å; K384-Q388 VanDerWaalsContact CA-O 3.3Å; K384-Q388 WeakPolarHBondContact CA-O 2.99Å; V385-Q388 PolarHBondContact N-O 2.94Å; V385-Q388 WeakPolarHBondContact O-CA 3.48Å; V385-Q388 WeakPolarHBondContact O-CB 3.46Å; V385-Q388 PolarHBondContact O-N 2.83Å; N386-Q388 PolarHBondContact O-N 3.32Å; Q388-I390 HydrophobicContact CG-CG1 4.27Å
389	I	93.6	Very high	94.9	Very high	17 Å²	17	21.7 Å²	21.7	9%	0.087	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.7	170.4	-60.5	-68	0	0	0	109.2	N318 V319 N360 T382 V383 K384 E391	N318-I389 CarbonylContact C-O 3.59Å; N318-I389 WeakPolarHBondContact CA-O 3.08Å; N318-I389 WeakPolarHBondContact OD1-CB 3.45Å; N318-I389 PolarHBondContact OD1-N 3.07Å; V319-I389 PolarHBondContact N-O 3.43Å; N360-I389 HydrophobicContact CB-CD1 4.08Å; N360-I389 HydrophobicContact CB-CG1 4.34Å; T382-I389 HydrophobicContact CG2-CG2 3.66Å; V383-I389 WeakPolarHBondContact O-CA 3.49Å; K384-I389 HydrophobicContact CB-CD1 3.69Å; K384-I389 HydrophobicContact CD-CD1 3.89Å; K384-I389 HydrophobicContact CG-CD1 3.61Å; I389-E391 HydrophobicContact CG2-CG 3.92Å
390	I	95.5	Very high	94.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121	173.1	-59.6	166	0	0	0	107.5	W309 L312 V319 T382 V383 V385 Q388 F392	W309-I390 HydrophobicContact CH2-CD1 3.87Å; W309-I390 HydrophobicContact CZ3-CD1 3.68Å; L312-I390 HydrophobicContact CB-CD1 4.03Å; L312-I390 HydrophobicContact CD1-CG2 4.49Å; V319-I390 HydrophobicContact CB-CG1 4.41Å; V319-I390 HydrophobicContact CB-CG2 4.45Å; V319-I390 WeakPolarHBondContact O-CA 3.22Å; T382-I390 WeakPolarHBondContact CA-O 3.43Å; V383-I390 PolarHBondContact N-O 3.23Å; V383-I390 PolarHBondContact O-N 2.92Å; V385-I390 HydrophobicContact CG1-CD1 3.97Å; Q388-I390 HydrophobicContact CG-CG1 4.27Å; I390-F392 HydrophobicContact CG2-CE1 4.25Å; I390-F392 HydrophobicContact CG2-CE2 4Å; I390-F392 HydrophobicContact CG2-CZ 3.76Å
391	E	96.3	Very high	94.4	Very high	30 Å²	30	23.5 Å²	23.5	14%	0.14	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.7	-179.6	-65.2	-174.2	-160.3	0	0	111.5	V319 I320 C321 N360 I381 T382 I389 R393	V319-E391 PolarHBondContact O-N 3.3Å; I320-E391 CarbonylContact C-O 3.58Å; I320-E391 WeakPolarHBondContact CA-O 3.37Å; I320-E391 HydrophobicContact CG1-CB 4.23Å; C321-E391 PolarHBondContact N-O 3.46Å; N360-E391 PolarHBondContact ND2-OE1 3.06Å; I381-E391 CarbonylContact O-C 3.51Å; I381-E391 WeakPolarHBondContact O-CA 3.33Å; T382-E391 HydrophobicContact CG2-CG 3.88Å; I389-E391 HydrophobicContact CG2-CG 3.92Å; E391-R393 IonicContact OE2-CZ 3.3Å; E391-R393 VanDerWaalsContact OE2-CZ 3.31Å; E391-R393 IonicContact OE2-NE 2.71Å; E391-R393 PolarHBondContact OE2-NE 3.04Å; E391-R393 VanDerWaalsContact OE2-NE 3.09Å; E391-R393 IonicContact OE2-NH2 3.4Å; E391-R393 PolarHBondContact OE2-NH2 3.4Å
392	F	97.9	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.1	168.8	-52.7	-79.2	0	0	0	109.4	W309 L312 C321 F323 L326 W333 F337 D380 I381 V383 I390	W309-F392 HydrophobicContact CZ3-CZ 4.33Å; L312-F392 HydrophobicContact CD1-CE1 3.91Å; L312-F392 HydrophobicContact CD1-CZ 4.12Å; C321-F392 HydrophobicContact CB-CD1 3.56Å; C321-F392 HydrophobicContact CB-CE1 3.98Å; C321-F392 HydrophobicContact CB-CG 4.48Å; C321-F392 CarbonylContact O-C 3.58Å; C321-F392 VanDerWaalsContact O-CA 3.26Å; C321-F392 WeakPolarHBondContact O-CA 3.43Å; F323-F392 HydrophobicContact CD2-CD1 4.1Å; F323-F392 AromaticContact CE2-CD1 3.59Å; F323-F392 HydrophobicContact CE2-CD1 3.59Å; F323-F392 HydrophobicContact CE2-CE1 4.13Å; L326-F392 HydrophobicContact CD1-CB 3.99Å; W333-F392 HydrophobicContact CD2-CE1 4.14Å; W333-F392 HydrophobicContact CD2-CE2 4.37Å; W333-F392 AromaticContact CD2-CZ 3.97Å; W333-F392 HydrophobicContact CD2-CZ 3.97Å; W333-F392 AromaticContact CE2-CE1 3.5Å; W333-F392 VanDerWaalsContact CE2-CE1 3.5Å; W333-F392 AromaticContact CE2-CZ 3.75Å; W333-F392 HydrophobicContact CE3-CZ 4.23Å; W333-F392 HydrophobicContact CH2-CE1 4.36Å; W333-F392 HydrophobicContact CH2-CZ 4.18Å; W333-F392 AromaticContact CZ2-CE1 3.63Å; W333-F392 HydrophobicContact CZ2-CE1 3.63Å; W333-F392 AromaticContact CZ2-CZ 3.87Å; W333-F392 HydrophobicContact CZ2-CZ 3.87Å; W333-F392 HydrophobicContact CZ3-CZ 4.34Å; W333-F392 AromaticContact NE1-CD1 3.76Å; W333-F392 AromaticContact NE1-CE1 3.66Å; F337-F392 HydrophobicContact CE2-CD2 4.32Å; F337-F392 AromaticContact CE2-CE2 3.77Å; F337-F392 HydrophobicContact CE2-CE2 3.77Å; F337-F392 AromaticContact CZ-CE2 3.6Å; F337-F392 HydrophobicContact CZ-CE2 3.6Å; F337-F392 HydrophobicContact CZ-CZ 4.04Å; D380-F392 CarbonylContact C-O 3.28Å; D380-F392 WeakPolarHBondContact CA-O 3.44Å; D380-F392 WeakPolarHBondContact CB-O 3.33Å; I381-F392 HydrophobicContact CB-CB 4.23Å; I381-F392 HydrophobicContact CB-CD2 4.15Å; I381-F392 HydrophobicContact CG2-CD2 4.32Å; I381-F392 PolarHBondContact N-O 2.89Å; I381-F392 PolarHBondContact O-N 3.39Å; V383-F392 HydrophobicContact CG2-CE2 4.07Å; I390-F392 HydrophobicContact CG2-CE1 4.25Å; I390-F392 HydrophobicContact CG2-CE2 4Å; I390-F392 HydrophobicContact CG2-CZ 3.76Å
393	R	97.5	Very high	93.9	Very high	45 Å²	45	27.9 Å²	27.9	17%	0.17	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.5	-175.4	-65.8	-174	178.6	178	0.5	111.4	I320 C321 Y322 F323 D380 E391 S395 L461	I320-R393 HydrophobicContact CG2-CG 4.1Å; C321-R393 PolarHBondContact O-N 3.39Å; Y322-R393 CarbonylContact C-O 3.54Å; Y322-R393 WeakPolarHBondContact CA-O 3.21Å; Y322-R393 HydrophobicContact CD1-CB 3.9Å; Y322-R393 HydrophobicContact CE1-CB 3.81Å; F323-R393 PolarHBondContact N-O 3.14Å; D380-R393 HydrophobicContact CB-CG 4.25Å; E391-R393 IonicContact OE2-CZ 3.3Å; E391-R393 VanDerWaalsContact OE2-CZ 3.31Å; E391-R393 IonicContact OE2-NE 2.71Å; E391-R393 PolarHBondContact OE2-NE 3.04Å; E391-R393 VanDerWaalsContact OE2-NE 3.09Å; E391-R393 IonicContact OE2-NH2 3.4Å; E391-R393 PolarHBondContact OE2-NH2 3.4Å; R393-S395 PolarHBondContact O-N 3.24Å; R393-L461 HydrophobicContact CB-CD1 4.29Å; R393-L461 HydrophobicContact CG-CD1 4.07Å
394	D	97.7	Very high	93.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	104.5	-179.7	-167.8	2.8	0	0	0	112.2	F323 N325 L326 Y379 L396 K397	F323-D394 WeakPolarHBondContact O-CA 3.11Å; N325-D394 WeakPolarHBondContact CA-OD1 3.32Å; N325-D394 PolarHBondContact N-OD1 2.73Å; L326-D394 HydrophobicContact CB-CB 3.58Å; L326-D394 HydrophobicContact CD2-CB 4.24Å; L326-D394 PolarHBondContact N-OD1 2.68Å; Y379-D394 PolarHBondContact O-N 2.88Å; Y379-D394 VanDerWaalsContact O-N 3.08Å; D394-L396 PolarHBondContact O-N 2.8Å; D394-L396 WeakPolarHBondContact OD1-CB 3.33Å; D394-L396 PolarHBondContact OD1-N 3.33Å; D394-L396 VanDerWaalsContact OD1-N 3.16Å; D394-K397 HydrophobicContact CB-CG 3.86Å; D394-K397 WeakPolarHBondContact O-CB 3.47Å; D394-K397 PolarHBondContact O-N 2.62Å; D394-K397 VanDerWaalsContact O-N 3.11Å; D394-K397 IonicContact OD2-NZ 3.66Å; D394-K397 PolarHBondContact OD2-NZ 2.82Å
395	S	96.5	Very high	93.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-64.9	-25	177.7	70.7	0	0	0	0	112.2	F323 H324 R393 K397 L398 L399 V446	F323-S395 PolarHBondContact O-N 2.77Å; F323-S395 PolarHBondContact O-OG 2.86Å; H324-S395 WeakPolarHBondContact CA-OG 3.45Å; H324-S395 WeakPolarHBondContact CB-OG 3.48Å; H324-S395 PolarHBondContact ND1-OG 3.26Å; R393-S395 PolarHBondContact O-N 3.24Å; S395-K397 PolarHBondContact O-N 3.06Å; S395-K397 VanDerWaalsContact O-N 3.14Å; S395-L398 PolarHBondContact O-N 2.79Å; S395-L399 PolarHBondContact O-N 3.27Å; S395-V446 WeakPolarHBondContact OG-CG1 3.39Å
396	L	96.2	Very high	93.2	Very high	47 Å²	47	29.9 Å²	29.9	25%	0.246	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-61	-24	174.7	-172.6	68.6	0	0	0	112.3	N325 D394 L398 L399 P400	N325-L396 HydrophobicContact CB-CD2 4.09Å; D394-L396 PolarHBondContact O-N 2.8Å; D394-L396 WeakPolarHBondContact OD1-CB 3.33Å; D394-L396 PolarHBondContact OD1-N 3.33Å; D394-L396 VanDerWaalsContact OD1-N 3.16Å; L396-L398 VanDerWaalsContact C-N 3.31Å; L396-L399 WeakPolarHBondContact CA-O 3.49Å; L396-L399 CarbonylContact O-C 3.59Å; L396-P400 VanDerWaalsContact O-CA 3.29Å; L396-P400 WeakPolarHBondContact O-CA 3.39Å
397	K	94.7	Very high	93.3	Very high	30 Å²	30	24.5 Å²	24.5	13%	0.13	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-75.9	-19.4	175.5	-61	-65.6	177.7	-68	0	113.1	W378 Y379 D394 S395 T462 I463	W378-K397 WeakPolarHBondContact O-CE 3.38Å; W378-K397 PolarHBondContact O-NZ 3.1Å; Y379-K397 HydrophobicContact CD1-CD 4.29Å; Y379-K397 HydrophobicContact CD1-CG 4.16Å; Y379-K397 HydrophobicContact CE1-CD 4.14Å; Y379-K397 HydrophobicContact CE1-CG 4.49Å; D394-K397 HydrophobicContact CB-CG 3.86Å; D394-K397 WeakPolarHBondContact O-CB 3.47Å; D394-K397 PolarHBondContact O-N 2.62Å; D394-K397 VanDerWaalsContact O-N 3.11Å; D394-K397 IonicContact OD2-NZ 3.66Å; D394-K397 PolarHBondContact OD2-NZ 2.82Å; S395-K397 PolarHBondContact O-N 3.06Å; S395-K397 VanDerWaalsContact O-N 3.14Å; K397-T462 HydrophobicContact CB-CG2 3.94Å; K397-T462 CarbonylContact O-C 3.48Å; K397-T462 VanDerWaalsContact O-CA 3.26Å; K397-T462 WeakPolarHBondContact O-CA 3.5Å; K397-I463 PolarHBondContact O-N 2.89Å
398	L	92.6	Very high	93.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-40	171.8	-80.1	168.5	0	0	0	112.1	Y322 S395 L396 P400 L450 M453 K460 I463	Y322-L398 HydrophobicContact CE1-CD1 4.02Å; S395-L398 PolarHBondContact O-N 2.79Å; L396-L398 VanDerWaalsContact C-N 3.31Å; L398-P400 WeakPolarHBondContact O-CD 3.08Å; L398-L450 HydrophobicContact CD1-CD2 4.22Å; L398-M453 HydrophobicContact CD2-CE 4.05Å; L398-K460 WeakPolarHBondContact CD1-O 3.41Å; L398-K460 WeakPolarHBondContact CD2-O 3.26Å; L398-K460 WeakPolarHBondContact CG-O 3.5Å; L398-I463 WeakPolarHBondContact O-CB 3.3Å
399	L	93.1	Very high	93.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-121.3	82.5	-177	-62.8	170.2	0	0	0	108.6	S395 L396 F401 I406 F410 A449 L450 M453	S395-L399 PolarHBondContact O-N 3.27Å; L396-L399 WeakPolarHBondContact CA-O 3.49Å; L396-L399 CarbonylContact O-C 3.59Å; L399-F401 PolarHBondContact O-N 2.88Å; L399-I406 HydrophobicContact CB-CD1 3.9Å; L399-I406 HydrophobicContact CB-CG1 4.47Å; L399-I406 HydrophobicContact CD1-CD1 4.2Å; L399-F410 HydrophobicContact CD2-CE1 4.22Å; L399-F410 HydrophobicContact CD2-CE2 4.03Å; L399-F410 HydrophobicContact CD2-CZ 3.55Å; L399-A449 HydrophobicContact CD1-CB 3.56Å; L399-A449 HydrophobicContact CD2-CB 4.47Å; L399-L450 HydrophobicContact CD1-CD2 4.17Å; L399-L450 HydrophobicContact CD1-CG 4.26Å; L399-M453 HydrophobicContact CD2-CG 4.2Å
400	P	91.4	Very high	93	Very high	60 Å²	60	29.7 Å²	29.7	39%	0.39	16%	0.162	S	C	.	.			trans	-78.3	51.5	-172	34.7	-38.5	0	0	0	112.9	L396 L398 L694	L396-P400 VanDerWaalsContact O-CA 3.29Å; L396-P400 WeakPolarHBondContact O-CA 3.39Å; L398-P400 WeakPolarHBondContact O-CD 3.08Å; P400-L694 HydrophobicContact CG-CD2 3.7Å
401	F	91.3	Very high	92.7	Very high	58 Å²	58	35.9 Å²	35.9	25%	0.254	19%	0.191	S	C	.	.	S	Bend	trans	-135.8	155.6	-179.3	-52.3	-65	0	0	0	108.8	H324 L399 A405 I406 F410 L694	H324-F401 PolarHBondContact CE1-O 2.9Å; H324-F401 PolarHBondContact NE2-O 3.31Å; L399-F401 PolarHBondContact O-N 2.88Å; F401-A405 HydrophobicContact CB-CB 4.01Å; F401-I406 HydrophobicContact CB-CG1 3.95Å; F401-F410 HydrophobicContact CD2-CE2 4.49Å; F401-F410 HydrophobicContact CE2-CE2 4.39Å; F401-L694 HydrophobicContact CE2-CD1 3.78Å; F401-L694 HydrophobicContact CE2-CD2 3.89Å; F401-L694 HydrophobicContact CE2-CG 3.98Å; F401-L694 HydrophobicContact CZ-CD1 4.27Å; F401-L694 HydrophobicContact CZ-CD2 3.58Å; F401-L694 HydrophobicContact CZ-CG 3.94Å
402	S	90.9	Very high	92.3	Very high	73 Å²	73	34.8 Å²	34.8	51%	0.51	19%	0.186	S	C	.	.			trans	-66.1	157.5	170.4	61.8	0	0	0	0	111.3	S404 A405 I406	S402-S404 VanDerWaalsContact C-N 3.29Å; S402-S404 PolarHBondContact O-N 3.08Å; S402-A405 CarbonylContact O-C 3.47Å; S402-A405 WeakPolarHBondContact O-CA 3.41Å; S402-A405 WeakPolarHBondContact O-CB 3.25Å; S402-A405 PolarHBondContact O-N 2.84Å; S402-A405 WeakPolarHBondContact OG-CB 3.11Å; S402-A405 PolarHBondContact OG-N 2.84Å; S402-I406 WeakPolarHBondContact O-CG1 3.38Å; S402-I406 PolarHBondContact O-N 3.09Å
403	V	92.9	Very high	92	Very high	18 Å²	18	42 Å²	42	11%	0.109	22%	0.217	C	C	.	.	H	α-helix	trans	-51.4	-45.7	176.4	-177.7	0	0	0	0	112	H324 A405 I406 G407 K416 V445 V446	H324-V403 HydrophobicContact CB-CG2 4.36Å; H324-V403 VanDerWaalsContact CD2-CG2 3.45Å; H324-V403 WeakPolarHBondContact CD2-CG2 3.37Å; V403-A405 VanDerWaalsContact C-N 3.33Å; V403-A405 PolarHBondContact O-N 2.84Å; V403-I406 WeakPolarHBondContact O-CB 3.15Å; V403-I406 PolarHBondContact O-N 3.37Å; V403-G407 PolarHBondContact O-N 3.49Å; V403-K416 HydrophobicContact CB-CD 4.19Å; V403-K416 HydrophobicContact CG1-CB 4.32Å; V403-K416 HydrophobicContact CG1-CD 4.39Å; V403-V445 HydrophobicContact CG1-CB 3.9Å; V403-V445 HydrophobicContact CG1-CG1 3.68Å; V403-V445 WeakPolarHBondContact O-CG1 3.49Å; V403-V446 HydrophobicContact CB-CG2 4.45Å; V403-V446 HydrophobicContact CG1-CG2 4.11Å; V403-V446 HydrophobicContact CG2-CG2 3.85Å
404	S	91.7	Very high	91.8	Very high	46 Å²	46	41.4 Å²	41.4	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-59	-41.7	174.8	-175.9	0	0	0	0	112.8	S402 G407 K408	S402-S404 VanDerWaalsContact C-N 3.29Å; S402-S404 PolarHBondContact O-N 3.08Å; S404-G407 PolarHBondContact O-N 3.4Å; S404-K408 WeakPolarHBondContact O-CG 3.34Å; S404-K408 PolarHBondContact O-N 3.39Å
405	A	90.2	Very high	91.5	Very high	34 Å²	34	45.5 Å²	45.5	28%	0.281	23%	0.234	S	C	.	.	H	α-helix	trans	-70.6	-36.2	177.5	0	0	0	0	0	112	F401 S402 V403 K408 S409	F401-A405 HydrophobicContact CB-CB 4.01Å; S402-A405 CarbonylContact O-C 3.47Å; S402-A405 WeakPolarHBondContact O-CA 3.41Å; S402-A405 WeakPolarHBondContact O-CB 3.25Å; S402-A405 PolarHBondContact O-N 2.84Å; S402-A405 WeakPolarHBondContact OG-CB 3.11Å; S402-A405 PolarHBondContact OG-N 2.84Å; V403-A405 VanDerWaalsContact C-N 3.33Å; V403-A405 PolarHBondContact O-N 2.84Å; A405-K408 PolarHBondContact O-N 3.49Å; A405-S409 WeakPolarHBondContact O-CB 3.29Å; A405-S409 PolarHBondContact O-N 3.1Å; A405-S409 PolarHBondContact O-OG 3.32Å
406	I	92.2	Very high	91.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-52.5	170.4	-67.3	172.5	0	0	0	108.6	H324 L399 F401 S402 V403 K408 S409 F410 V445 V446 A449	H324-I406 VanDerWaalsContact CE1-CD1 3.47Å; H324-I406 WeakPolarHBondContact CE1-CD1 3.34Å; L399-I406 HydrophobicContact CB-CD1 3.9Å; L399-I406 HydrophobicContact CB-CG1 4.47Å; L399-I406 HydrophobicContact CD1-CD1 4.2Å; F401-I406 HydrophobicContact CB-CG1 3.95Å; S402-I406 WeakPolarHBondContact O-CG1 3.38Å; S402-I406 PolarHBondContact O-N 3.09Å; V403-I406 WeakPolarHBondContact O-CB 3.15Å; V403-I406 PolarHBondContact O-N 3.37Å; I406-K408 VanDerWaalsContact C-N 3.32Å; I406-K408 PolarHBondContact O-N 2.97Å; I406-S409 PolarHBondContact O-N 2.63Å; I406-S409 VanDerWaalsContact O-N 3.15Å; I406-S409 PolarHBondContact O-OG 3.01Å; I406-F410 HydrophobicContact CG2-CD2 4.22Å; I406-F410 WeakPolarHBondContact O-CB 3.26Å; I406-F410 PolarHBondContact O-N 2.81Å; I406-V445 HydrophobicContact CB-CG1 4.19Å; I406-V445 HydrophobicContact CG2-CG1 3.98Å; I406-V446 HydrophobicContact CD1-CG2 4.27Å; I406-A449 HydrophobicContact CG2-CB 3.42Å; I406-A449 VanDerWaalsContact CG2-CB 3.42Å
407	G	91.5	Very high	90.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-42.3	-176.8	0	0	0	0	0	113.2	V403 S404 E411 T412 K415	V403-G407 PolarHBondContact O-N 3.49Å; S404-G407 PolarHBondContact O-N 3.4Å; G407-E411 PolarHBondContact O-N 3.04Å; G407-T412 WeakPolarHBondContact CA-OG1 3.34Å; G407-T412 PolarHBondContact O-N 3.11Å; G407-T412 PolarHBondContact O-OG1 3.05Å; G407-K415 PolarHBondContact O-NZ 2.86Å
408	K	90.5	Very high	90.2	Very high	155 Å²	155	55.6 Å²	55.6	67%	0.674	29%	0.287	S	S	*	.	H	α-helix	trans	-67.8	-45.6	175.1	-69.4	177.1	-175.1	-178.7	0	112.6	S404 A405 I406	S404-K408 WeakPolarHBondContact O-CG 3.34Å; S404-K408 PolarHBondContact O-N 3.39Å; A405-K408 PolarHBondContact O-N 3.49Å; I406-K408 VanDerWaalsContact C-N 3.32Å; I406-K408 PolarHBondContact O-N 2.97Å
409	S	86.6	Confident	89.8	Confident	18 Å²	18	56.9 Å²	56.9	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-81.9	-31.5	-167.8	71.8	0	0	0	0	113.3	A405 I406 G686 A687 Q690	A405-S409 WeakPolarHBondContact O-CB 3.29Å; A405-S409 PolarHBondContact O-N 3.1Å; A405-S409 PolarHBondContact O-OG 3.32Å; I406-S409 PolarHBondContact O-N 2.63Å; I406-S409 VanDerWaalsContact O-N 3.15Å; I406-S409 PolarHBondContact O-OG 3.01Å; S409-G686 CarbonylContact O-C 3.55Å; S409-A687 PolarHBondContact O-N 3.47Å; S409-Q690 VanDerWaalsContact O-CG 3.31Å; S409-Q690 WeakPolarHBondContact O-CG 3.48Å
410	F	87.1	Confident	89	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-89.2	-4.7	174.2	-77.5	-108.5	0	0	0	113.2	L399 F401 I406 T412 A449 I452 A687 Q690 L691	L399-F410 HydrophobicContact CD2-CE1 4.22Å; L399-F410 HydrophobicContact CD2-CE2 4.03Å; L399-F410 HydrophobicContact CD2-CZ 3.55Å; F401-F410 HydrophobicContact CD2-CE2 4.49Å; F401-F410 HydrophobicContact CE2-CE2 4.39Å; I406-F410 HydrophobicContact CG2-CD2 4.22Å; I406-F410 WeakPolarHBondContact O-CB 3.26Å; I406-F410 PolarHBondContact O-N 2.81Å; F410-T412 HydrophobicContact CB-CG2 4.02Å; F410-T412 PolarHBondContact O-N 2.63Å; F410-A449 HydrophobicContact CD1-CB 3.96Å; F410-A449 HydrophobicContact CE1-CB 4.31Å; F410-A449 HydrophobicContact CG-CB 4.09Å; F410-I452 HydrophobicContact CD1-CD1 4.05Å; F410-A687 HydrophobicContact CB-CB 3.93Å; F410-A687 HydrophobicContact CD1-CB 3.31Å; F410-A687 HydrophobicContact CE1-CB 4.03Å; F410-A687 HydrophobicContact CG-CB 3.84Å; F410-Q690 HydrophobicContact CE2-CB 4.31Å; F410-L691 HydrophobicContact CE1-CD1 4.27Å; F410-L691 HydrophobicContact CE1-CD2 3.63Å; F410-L691 HydrophobicContact CE1-CG 3.79Å; F410-L691 HydrophobicContact CZ-CD2 3.57Å; F410-L691 HydrophobicContact CZ-CG 4.04Å
411	E	88.1	Confident	88.2	Confident	130 Å²	130	66 Å²	66	61%	0.607	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	39.5	-177.6	-62.4	174	-165.3	0	0	111.9	G407 G686	G407-E411 PolarHBondContact O-N 3.04Å; E411-G686 WeakPolarHBondContact OE1-CA 3.4Å; E411-G686 PolarHBondContact OE1-N 3.47Å; E411-G686 VanDerWaalsContact OE1-N 3.16Å
412	T	89	Confident	87.5	Confident	8 Å²	8	67 Å²	67	5%	0.049	34%	0.338	C	S	.	.			trans	-54.6	151.6	178.4	55	0	0	0	0	112.4	G407 F410 H414 K415 V445 E448	G407-T412 WeakPolarHBondContact CA-OG1 3.34Å; G407-T412 PolarHBondContact O-N 3.11Å; G407-T412 PolarHBondContact O-OG1 3.05Å; F410-T412 HydrophobicContact CB-CG2 4.02Å; F410-T412 PolarHBondContact O-N 2.63Å; T412-H414 WeakPolarHBondContact CB-O 3.08Å; T412-H414 PolarHBondContact OG1-O 3.18Å; T412-K415 WeakPolarHBondContact O-CE 3.05Å; T412-K415 PolarHBondContact O-NZ 3.17Å; T412-K415 PolarHBondContact OG1-NZ 3.44Å; T412-V445 HydrophobicContact CG2-CG1 4.41Å; T412-E448 VanDerWaalsContact C-OE2 3.28Å; T412-E448 WeakPolarHBondContact CA-OE2 3.43Å; T412-E448 WeakPolarHBondContact CB-OE2 3.46Å; T412-E448 HydrophobicContact CG2-CB 4.07Å
413	K	90.8	Very high	86.8	Confident	150 Å²	150	65.1 Å²	65.1	65%	0.652	33%	0.329	S	S	*	.	S	Bend	trans	-62.4	-47.6	173.1	173.4	-173	162.4	-160.3	0	110.3	E297 E448	E297-K413 IonicContact OE2-NZ 3.7Å; E297-K413 PolarHBondContact OE2-NZ 3.31Å; K413-E448 PolarHBondContact N-OE2 2.75Å
414	H	92.7	Very high	86.2	Confident	34 Å²	34	71.8 Å²	71.8	16%	0.157	36%	0.364	C	S	.	.	S	Bend	trans	-86.7	158.9	175.8	-57.2	89.8	0	0	0	111.6	E297 T412 L444 V445 E448	E297-H414 IonicContact OE2-CE1 3.96Å; E297-H414 PolarHBondContact OE2-CE1 2.89Å; E297-H414 VanDerWaalsContact OE2-CE1 3.3Å; T412-H414 WeakPolarHBondContact CB-O 3.08Å; T412-H414 PolarHBondContact OG1-O 3.18Å; H414-L444 HydrophobicContact CB-CB 4.03Å; H414-V445 HydrophobicContact CB-CG2 4.04Å; H414-V445 WeakPolarHBondContact O-CG2 3.42Å; H414-E448 IonicContact CE1-OE1 3.55Å; H414-E448 IonicContact CG-OE1 3.71Å; H414-E448 PolarHBondContact N-OE1 2.92Å; H414-E448 IonicContact ND1-OE1 2.68Å; H414-E448 PolarHBondContact ND1-OE1 2.9Å
415	K	90.8	Very high	86	Confident	86 Å²	86	71.1 Å²	71.1	37%	0.374	35%	0.354	S	S	.	.			trans	-134.5	144.8	176.2	-59.6	-63.6	175.9	-145	0	109	G407 T412 L417 N441	G407-K415 PolarHBondContact O-NZ 2.86Å; T412-K415 WeakPolarHBondContact O-CE 3.05Å; T412-K415 PolarHBondContact O-NZ 3.17Å; T412-K415 PolarHBondContact OG1-NZ 3.44Å; K415-L417 PolarHBondContact O-N 3.46Å; K415-N441 WeakPolarHBondContact O-CB 3.24Å; K415-N441 PolarHBondContact O-ND2 2.9Å
416	K	89.4	Confident	86	Confident	61 Å²	61	75.3 Å²	75.3	27%	0.265	36%	0.363	S	S	.	.			trans	-54.5	128.9	171.2	178.8	163.4	-168.7	84	0	109.6	V403 Y438 D442	V403-K416 HydrophobicContact CB-CD 4.19Å; V403-K416 HydrophobicContact CG1-CB 4.32Å; V403-K416 HydrophobicContact CG1-CD 4.39Å; K416-Y438 PolarHBondContact NZ-OH 3.41Å; K416-D442 VanDerWaalsContact CG-OD1 3.26Å; K416-D442 WeakPolarHBondContact CG-OD1 3.28Å; K416-D442 IonicContact NZ-OD1 3.1Å; K416-D442 PolarHBondContact NZ-OD1 2.61Å; K416-D442 IonicContact NZ-OD2 3.27Å; K416-D442 PolarHBondContact NZ-OD2 2.98Å
417	L	89.2	Confident	86	Confident	70 Å²	70	77 Å²	77	37%	0.366	38%	0.378	S	S	.	.			trans	-95	179.9	172	-58	-179.6	0	0	0	109.2	K415 D437 Y438 N441	K415-L417 PolarHBondContact O-N 3.46Å; L417-D437 HydrophobicContact CD1-CB 4.27Å; L417-Y438 VanDerWaalsContact C-CD2 3.49Å; L417-Y438 HydrophobicContact CB-CD2 3.96Å; L417-Y438 WeakPolarHBondContact O-CD2 3.39Å; L417-Y438 WeakPolarHBondContact O-CE2 3.49Å; L417-N441 HydrophobicContact CG-CB 4.36Å; L417-N441 WeakPolarHBondContact CG-ND2 3.26Å
418	D	82.6	Confident	86	Confident	158 Å²	158	79 Å²	79	85%	0.845	40%	0.399	S	S	*	.			trans	-113.5	145	174	-65.5	-49.4	0	0	0	109.8
419	M	83.1	Confident	86.1	Confident	27 Å²	27	72 Å²	72	13%	0.133	37%	0.369	C	S	.	.			trans	-141.4	149.7	179	-179.2	-179.7	70.9	0	0	110.3	E274 W287 Y421 E435 Y438	E274-M419 HydrophobicContact CG-CE 4.18Å; E274-M419 WeakPolarHBondContact OE2-CE 3.38Å; W287-M419 HydrophobicContact CH2-SD 4.44Å; W287-M419 HydrophobicContact CZ2-CE 4.1Å; M419-Y421 WeakPolarHBondContact O-CD2 3.29Å; M419-Y421 WeakPolarHBondContact O-CE2 3.3Å; M419-Y421 PolarHBondContact O-N 3.05Å; M419-E435 HydrophobicContact CG-CG 4.42Å; M419-E435 HydrophobicContact SD-CB 3.98Å; M419-E435 HydrophobicContact SD-CG 3.71Å; M419-Y438 HydrophobicContact CB-CD1 3.96Å; M419-Y438 HydrophobicContact CB-CD2 3.54Å; M419-Y438 HydrophobicContact CB-CE1 4.26Å; M419-Y438 HydrophobicContact CB-CE2 3.82Å; M419-Y438 HydrophobicContact CB-CG 3.64Å; M419-Y438 HydrophobicContact CE-CD1 3.86Å; M419-Y438 HydrophobicContact CE-CE1 3.82Å; M419-Y438 HydrophobicContact CG-CG 4.46Å; M419-Y438 HydrophobicContact SD-CD1 3.82Å; M419-Y438 HydrophobicContact SD-CE1 4.38Å; M419-Y438 HydrophobicContact SD-CG 4.21Å
420	E	76.6	Confident	86.3	Confident	137 Å²	137	76.3 Å²	76.3	64%	0.64	40%	0.396	S	S	*	.			trans	-74.3	107.2	172	-170.2	-178.6	177.2	0	0	110.7	R425	E420-R425 VanDerWaalsContact O-CZ 3.26Å; E420-R425 PolarHBondContact O-NH1 2.8Å; E420-R425 PolarHBondContact O-NH2 3.02Å
421	Y	75.6	Confident	86.5	Confident	114 Å²	114	76.5 Å²	76.5	45%	0.447	40%	0.398	S	S	.	.			trans	-72.3	-31.3	-177.8	-64.2	-84.2	0	0	0	113.6	M419 R425 Y438	M419-Y421 WeakPolarHBondContact O-CD2 3.29Å; M419-Y421 WeakPolarHBondContact O-CE2 3.3Å; M419-Y421 PolarHBondContact O-N 3.05Å; Y421-R425 PolarHBondContact O-NH1 2.79Å; Y421-R425 VanDerWaalsContact O-NH1 3.16Å; Y421-Y438 PolarHBondContact OH-OH 3.35Å
422	T	76.6	Confident	86.8	Confident	81 Å²	81	73.1 Å²	73.1	50%	0.497	39%	0.386	S	S	.	.			trans	-80.6	139.3	178.3	47.2	0	0	0	0	110.9	V277 R425	V277-T422 HydrophobicContact CG1-CG2 4.37Å; T422-R425 PolarHBondContact O-NH1 3.32Å
423	G	75	Confident	86.9	Confident	32 Å²	32	76.7 Å²	76.7	33%	0.33	41%	0.409	S	S	.	.	S	Bend	trans	156.8	163.3	177.4	0	0	0	0	0	112.5	V277 R425	V277-G423 PolarHBondContact O-N 3.43Å; G423-R425 PolarHBondContact O-N 3.05Å; G423-R425 VanDerWaalsContact O-N 3.07Å
424	L	81	Confident	86.9	Confident	158 Å²	158	76 Å²	76	83%	0.827	41%	0.408	S	S	*	.			trans	-77.6	94.1	175.3	-174.4	70.2	0	0	0	109.6
425	R	88.2	Confident	86.9	Confident	33 Å²	33	75.3 Å²	75.3	13%	0.125	41%	0.405	C	S	.	.			trans	-119.6	151.6	172.7	-57.8	-175.5	178.2	92.9	-4.2	109.4	T276 W287 E420 Y421 T422 G423 E435	T276-R425 VanDerWaalsContact CG2-O 3.22Å; T276-R425 WeakPolarHBondContact CG2-O 3.45Å; W287-R425 HydrophobicContact CB-CB 4.21Å; W287-R425 HydrophobicContact CD2-CB 3.92Å; W287-R425 HydrophobicContact CD2-CG 4.3Å; W287-R425 HydrophobicContact CE3-CB 4.47Å; W287-R425 HydrophobicContact CG-CB 3.74Å; E420-R425 VanDerWaalsContact O-CZ 3.26Å; E420-R425 PolarHBondContact O-NH1 2.8Å; E420-R425 PolarHBondContact O-NH2 3.02Å; Y421-R425 PolarHBondContact O-NH1 2.79Å; Y421-R425 VanDerWaalsContact O-NH1 3.16Å; T422-R425 PolarHBondContact O-NH1 3.32Å; G423-R425 PolarHBondContact O-N 3.05Å; G423-R425 VanDerWaalsContact O-N 3.07Å; R425-E435 IonicContact CZ-OE1 2.83Å; R425-E435 VanDerWaalsContact CZ-OE1 3.25Å; R425-E435 IonicContact NE-OE1 3.46Å; R425-E435 PolarHBondContact NE-OE1 3.09Å; R425-E435 IonicContact NH2-OE1 3.64Å; R425-E435 PolarHBondContact NH2-OE1 3.28Å
426	Y	90.5	Very high	87.1	Confident	121 Å²	121	74.3 Å²	74.3	48%	0.475	40%	0.402	S	S	.	.			trans	-153.5	156.9	-179.4	55.9	-89.7	0	0	0	109.6	E285 G428 C429	E285-Y426 WeakPolarHBondContact OE1-CA 3.32Å; Y426-G428 PolarHBondContact O-N 3.39Å; Y426-C429 HydrophobicContact CD1-CB 3.97Å; Y426-C429 HydrophobicContact CD2-CB 4Å; Y426-C429 HydrophobicContact CE1-CB 3.78Å; Y426-C429 HydrophobicContact CE2-CB 3.82Å; Y426-C429 HydrophobicContact CG-CB 4.07Å; Y426-C429 VanDerWaalsContact O-CB 3.28Å; Y426-C429 WeakPolarHBondContact O-CB 3.45Å; Y426-C429 PolarHBondContact O-N 3.32Å; Y426-C429 PolarHBondContact O-SG 2.93Å
427	A	92	Very high	87.3	Confident	36 Å²	36	75.5 Å²	75.5	30%	0.298	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	125.8	177.5	0	0	0	0	0	111.3	E285	E285-A427 PolarHBondContact OE1-N 3.13Å; E285-A427 WeakPolarHBondContact OE2-CB 3.29Å
428	G	91.6	Very high	87.4	Confident	44 Å²	44	72.4 Å²	72.4	45%	0.454	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	1	-174.9	0	0	0	0	0	115.5	H303 Y426	H303-G428 PolarHBondContact O-N 3.11Å; Y426-G428 PolarHBondContact O-N 3.39Å
429	C	91.4	Very high	87.9	Confident	8 Å²	8	65 Å²	65	5%	0.054	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-69.6	150.3	175.8	73.6	0	0	0	0	111.6	H303 Y426 I431	H303-C429 PolarHBondContact CD2-O 2.84Å; H303-C429 VanDerWaalsContact CD2-O 3.26Å; Y426-C429 HydrophobicContact CD1-CB 3.97Å; Y426-C429 HydrophobicContact CD2-CB 4Å; Y426-C429 HydrophobicContact CE1-CB 3.78Å; Y426-C429 HydrophobicContact CE2-CB 3.82Å; Y426-C429 HydrophobicContact CG-CB 4.07Å; Y426-C429 VanDerWaalsContact O-CB 3.28Å; Y426-C429 WeakPolarHBondContact O-CB 3.45Å; Y426-C429 PolarHBondContact O-N 3.32Å; Y426-C429 PolarHBondContact O-SG 2.93Å; C429-I431 PolarHBondContact O-N 2.77Å
430	P	91.5	Very high	88.5	Confident	107 Å²	107	66.4 Å²	66.4	70%	0.695	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-58.5	135.6	172.4	-22.4	33.3	0	0	0	111.7
431	I	91.9	Very high	89.4	Confident	12 Å²	12	61.3 Å²	61.3	6%	0.062	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-97.5	118.9	173.9	-51.8	171.3	0	0	0	107.8	W287 A288 C429 E435 Q436 I439	W287-I431 HydrophobicContact CE3-CG1 4.38Å; W287-I431 HydrophobicContact CZ3-CG1 4.01Å; W287-I431 HydrophobicContact CZ3-CG2 4.16Å; A288-I431 HydrophobicContact CB-CD1 3.59Å; A288-I431 HydrophobicContact CB-CG1 4.24Å; C429-I431 PolarHBondContact O-N 2.77Å; I431-E435 HydrophobicContact CG2-CB 3.62Å; I431-Q436 HydrophobicContact CB-CG 4.08Å; I431-Q436 HydrophobicContact CG2-CB 4.49Å; I431-Q436 HydrophobicContact CG2-CG 3.58Å; I431-Q436 PolarHBondContact O-NE2 3.26Å; I431-I439 HydrophobicContact CG2-CD1 4.15Å
432	T	92.4	Very high	90.2	Very high	58 Å²	58	56.1 Å²	56.1	36%	0.356	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-67.5	157.4	-177.8	84.3	0	0	0	0	111.4	E434 E435 Q436	T432-E434 WeakPolarHBondContact CB-OE2 3.2Å; T432-E434 PolarHBondContact O-N 3.38Å; T432-E434 PolarHBondContact OG1-OE2 2.6Å; T432-E435 PolarHBondContact N-OE2 2.87Å; T432-E435 PolarHBondContact O-N 3.42Å; T432-E435 VanDerWaalsContact O-N 3.11Å; T432-E435 WeakPolarHBondContact OG1-CG 3.35Å; T432-E435 PolarHBondContact OG1-N 3.19Å; T432-Q436 VanDerWaalsContact O-CG 3.31Å; T432-Q436 WeakPolarHBondContact O-CG 3.15Å; T432-Q436 PolarHBondContact O-N 3.16Å
433	P	92.1	Very high	91.1	Very high	84 Å²	84	52.2 Å²	52.2	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-53.5	-38.2	177.6	-27.4	36.6	0	0	0	113.8	Q436 D437	P433-Q436 WeakPolarHBondContact O-CB 3.04Å; P433-Q436 PolarHBondContact O-N 2.95Å; P433-D437 PolarHBondContact O-N 2.9Å
434	E	91.8	Very high	92.2	Very high	134 Å²	134	51.2 Å²	51.2	63%	0.626	28%	0.28	S	S	*	.	H	α-helix	trans	-66.9	-42.5	177.8	-56.6	75.4	-164	0	0	111.8	T432 D437 Y438	T432-E434 WeakPolarHBondContact CB-OE2 3.2Å; T432-E434 PolarHBondContact O-N 3.38Å; T432-E434 PolarHBondContact OG1-OE2 2.6Å; E434-D437 PolarHBondContact O-N 2.88Å; E434-Y438 WeakPolarHBondContact O-CB 3.5Å; E434-Y438 PolarHBondContact O-N 2.86Å
435	E	92.6	Very high	92.9	Very high	20 Å²	20	43.7 Å²	43.7	9%	0.093	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-41.2	174.1	-64.6	177.2	143.4	0	0	110.7	W287 M419 R425 I431 T432 D437 Y438 I439	W287-E435 HydrophobicContact CH2-CB 4.4Å; W287-E435 HydrophobicContact CH2-CG 4.47Å; M419-E435 HydrophobicContact CG-CG 4.42Å; M419-E435 HydrophobicContact SD-CB 3.98Å; M419-E435 HydrophobicContact SD-CG 3.71Å; R425-E435 IonicContact CZ-OE1 2.83Å; R425-E435 VanDerWaalsContact CZ-OE1 3.25Å; R425-E435 IonicContact NE-OE1 3.46Å; R425-E435 PolarHBondContact NE-OE1 3.09Å; R425-E435 IonicContact NH2-OE1 3.64Å; R425-E435 PolarHBondContact NH2-OE1 3.28Å; I431-E435 HydrophobicContact CG2-CB 3.62Å; T432-E435 PolarHBondContact N-OE2 2.87Å; T432-E435 PolarHBondContact O-N 3.42Å; T432-E435 VanDerWaalsContact O-N 3.11Å; T432-E435 WeakPolarHBondContact OG1-CG 3.35Å; T432-E435 PolarHBondContact OG1-N 3.19Å; E435-D437 PolarHBondContact O-N 3.4Å; E435-Y438 PolarHBondContact O-N 3.07Å; E435-I439 WeakPolarHBondContact O-CB 3.13Å; E435-I439 WeakPolarHBondContact O-CD1 3.35Å; E435-I439 WeakPolarHBondContact O-CG1 3.41Å; E435-I439 PolarHBondContact O-N 3.36Å
436	Q	93.3	Very high	93.2	Very high	65 Å²	65	42.2 Å²	42.2	30%	0.304	24%	0.236	S	C	.	.	H	α-helix	trans	-60.3	-45	175.9	-67	-179.3	33.8	0	0	111.7	L301 I431 T432 P433 I439 K440	L301-Q436 HydrophobicContact CD1-CB 3.72Å; L301-Q436 HydrophobicContact CD1-CG 3.57Å; I431-Q436 HydrophobicContact CB-CG 4.08Å; I431-Q436 HydrophobicContact CG2-CB 4.49Å; I431-Q436 HydrophobicContact CG2-CG 3.58Å; I431-Q436 PolarHBondContact O-NE2 3.26Å; T432-Q436 VanDerWaalsContact O-CG 3.31Å; T432-Q436 WeakPolarHBondContact O-CG 3.15Å; T432-Q436 PolarHBondContact O-N 3.16Å; P433-Q436 WeakPolarHBondContact O-CB 3.04Å; P433-Q436 PolarHBondContact O-N 2.95Å; Q436-I439 PolarHBondContact O-N 3.09Å; Q436-K440 VanDerWaalsContact O-CB 3.28Å; Q436-K440 WeakPolarHBondContact O-CB 3.5Å; Q436-K440 WeakPolarHBondContact O-CD 3.25Å; Q436-K440 WeakPolarHBondContact O-CG 3.21Å; Q436-K440 PolarHBondContact O-N 3.11Å
437	D	93.3	Very high	93.5	Very high	87 Å²	87	36.6 Å²	36.6	47%	0.465	21%	0.214	S	C	.	.	H	α-helix	trans	-66	-39.6	179.5	-74.4	-12.8	0	0	0	111.7	L417 P433 E434 E435 N441	L417-D437 HydrophobicContact CD1-CB 4.27Å; P433-D437 PolarHBondContact O-N 2.9Å; E434-D437 PolarHBondContact O-N 2.88Å; E435-D437 PolarHBondContact O-N 3.4Å; D437-N441 WeakPolarHBondContact O-CB 3.41Å; D437-N441 PolarHBondContact O-N 3.33Å
438	Y	92.5	Very high	93.5	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.02	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-54.6	173.5	170.6	-85.2	0	0	0	111.3	E274 K416 L417 M419 Y421 E434 E435 K440 N441 D442	E274-Y438 VanDerWaalsContact OE1-CE1 3.32Å; E274-Y438 WeakPolarHBondContact OE1-CE1 3.37Å; K416-Y438 PolarHBondContact NZ-OH 3.41Å; L417-Y438 VanDerWaalsContact C-CD2 3.49Å; L417-Y438 HydrophobicContact CB-CD2 3.96Å; L417-Y438 WeakPolarHBondContact O-CD2 3.39Å; L417-Y438 WeakPolarHBondContact O-CE2 3.49Å; M419-Y438 HydrophobicContact CB-CD1 3.96Å; M419-Y438 HydrophobicContact CB-CD2 3.54Å; M419-Y438 HydrophobicContact CB-CE1 4.26Å; M419-Y438 HydrophobicContact CB-CE2 3.82Å; M419-Y438 HydrophobicContact CB-CG 3.64Å; M419-Y438 HydrophobicContact CE-CD1 3.86Å; M419-Y438 HydrophobicContact CE-CE1 3.82Å; M419-Y438 HydrophobicContact CG-CG 4.46Å; M419-Y438 HydrophobicContact SD-CD1 3.82Å; M419-Y438 HydrophobicContact SD-CE1 4.38Å; M419-Y438 HydrophobicContact SD-CG 4.21Å; Y421-Y438 PolarHBondContact OH-OH 3.35Å; E434-Y438 WeakPolarHBondContact O-CB 3.5Å; E434-Y438 PolarHBondContact O-N 2.86Å; E435-Y438 PolarHBondContact O-N 3.07Å; Y438-K440 PolarHBondContact O-N 2.9Å; Y438-N441 PolarHBondContact O-N 3.47Å; Y438-D442 WeakPolarHBondContact CE1-OD2 3.45Å; Y438-D442 VanDerWaalsContact CZ-OD2 3.28Å; Y438-D442 PolarHBondContact O-N 3.35Å; Y438-D442 VanDerWaalsContact O-N 3.17Å; Y438-D442 PolarHBondContact OH-OD2 2.9Å; Y438-D442 VanDerWaalsContact OH-OD2 3.06Å
439	I	93.7	Very high	93.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-43.9	-176.4	-64.5	167.4	0	0	0	110.4	E274 W287 A288 A290 L301 I431 E435 Q436 N441 D442 V443	E274-I439 HydrophobicContact CG-CD1 3.75Å; E274-I439 HydrophobicContact CG-CG1 3.66Å; W287-I439 HydrophobicContact CH2-CD1 4.17Å; A288-I439 HydrophobicContact CB-CD1 3.68Å; A290-I439 HydrophobicContact CB-CG2 3.41Å; A290-I439 VanDerWaalsContact CB-CG2 3.41Å; L301-I439 HydrophobicContact CD2-CB 4.36Å; L301-I439 HydrophobicContact CD2-CG2 3.77Å; I431-I439 HydrophobicContact CG2-CD1 4.15Å; E435-I439 WeakPolarHBondContact O-CB 3.13Å; E435-I439 WeakPolarHBondContact O-CD1 3.35Å; E435-I439 WeakPolarHBondContact O-CG1 3.41Å; E435-I439 PolarHBondContact O-N 3.36Å; Q436-I439 PolarHBondContact O-N 3.09Å; I439-N441 VanDerWaalsContact C-N 3.33Å; I439-N441 PolarHBondContact O-N 3.49Å; I439-D442 PolarHBondContact O-N 3.18Å; I439-V443 PolarHBondContact O-N 2.92Å
440	K	95.7	Very high	93.7	Very high	58 Å²	58	33.3 Å²	33.3	25%	0.252	18%	0.18	S	C	.	.	H	α-helix	trans	-59.6	-43.4	177.3	-75.5	171.5	-179.2	165.9	0	111.8	V299 L301 Q436 Y438 D442 V443 L444	V299-K440 HydrophobicContact CB-CG 3.91Å; V299-K440 HydrophobicContact CG1-CB 4.35Å; V299-K440 HydrophobicContact CG1-CG 3.73Å; V299-K440 HydrophobicContact CG2-CB 4.33Å; V299-K440 HydrophobicContact CG2-CG 4.24Å; L301-K440 HydrophobicContact CD1-CG 4.39Å; L301-K440 HydrophobicContact CD2-CG 4.37Å; Q436-K440 VanDerWaalsContact O-CB 3.28Å; Q436-K440 WeakPolarHBondContact O-CB 3.5Å; Q436-K440 WeakPolarHBondContact O-CD 3.25Å; Q436-K440 WeakPolarHBondContact O-CG 3.21Å; Q436-K440 PolarHBondContact O-N 3.11Å; Y438-K440 PolarHBondContact O-N 2.9Å; K440-D442 VanDerWaalsContact C-N 3.33Å; K440-D442 PolarHBondContact O-N 2.53Å; K440-V443 VanDerWaalsContact O-CG2 3.23Å; K440-V443 WeakPolarHBondContact O-CG2 3.48Å; K440-L444 HydrophobicContact CB-CD1 4.43Å; K440-L444 WeakPolarHBondContact O-CB 3.28Å; K440-L444 WeakPolarHBondContact O-CD1 3.4Å; K440-L444 WeakPolarHBondContact O-CG 3.4Å; K440-L444 PolarHBondContact O-N 3.4Å
441	N	94.1	Very high	93.6	Very high	29 Å²	29	29.7 Å²	29.7	16%	0.155	15%	0.154	C	C	.	.	H	α-helix	trans	-66.8	-34.4	-178.9	-85.7	15	0	0	0	112.7	K415 L417 D437 Y438 I439 L444 V445	K415-N441 WeakPolarHBondContact O-CB 3.24Å; K415-N441 PolarHBondContact O-ND2 2.9Å; L417-N441 HydrophobicContact CG-CB 4.36Å; L417-N441 WeakPolarHBondContact CG-ND2 3.26Å; D437-N441 WeakPolarHBondContact O-CB 3.41Å; D437-N441 PolarHBondContact O-N 3.33Å; Y438-N441 PolarHBondContact O-N 3.47Å; I439-N441 VanDerWaalsContact C-N 3.33Å; I439-N441 PolarHBondContact O-N 3.49Å; N441-L444 PolarHBondContact O-N 3.22Å; N441-V445 WeakPolarHBondContact O-CB 3.41Å; N441-V445 WeakPolarHBondContact O-CG2 2.88Å; N441-V445 PolarHBondContact O-N 3.42Å
442	D	93	Very high	93.4	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-47.1	178.8	-88.4	-13.5	0	0	0	112.1	K416 Y438 I439 K440	K416-D442 VanDerWaalsContact CG-OD1 3.26Å; K416-D442 WeakPolarHBondContact CG-OD1 3.28Å; K416-D442 IonicContact NZ-OD1 3.1Å; K416-D442 PolarHBondContact NZ-OD1 2.61Å; K416-D442 IonicContact NZ-OD2 3.27Å; K416-D442 PolarHBondContact NZ-OD2 2.98Å; Y438-D442 WeakPolarHBondContact CE1-OD2 3.45Å; Y438-D442 VanDerWaalsContact CZ-OD2 3.28Å; Y438-D442 PolarHBondContact O-N 3.35Å; Y438-D442 VanDerWaalsContact O-N 3.17Å; Y438-D442 PolarHBondContact OH-OD2 2.9Å; Y438-D442 VanDerWaalsContact OH-OD2 3.06Å; I439-D442 PolarHBondContact O-N 3.18Å; K440-D442 VanDerWaalsContact C-N 3.33Å; K440-D442 PolarHBondContact O-N 2.53Å
443	V	96.2	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69	-39.6	175.5	-63.7	0	0	0	0	112.5	D270 D272 A290 V292 V299 I439 K440 V445 V446 K447	D270-V443 VanDerWaalsContact OD2-CA 3.32Å; D270-V443 WeakPolarHBondContact OD2-CA 3.39Å; D272-V443 HydrophobicContact CB-CG1 3.5Å; A290-V443 HydrophobicContact CB-CG1 3.88Å; A290-V443 HydrophobicContact CB-CG2 4.24Å; V292-V443 HydrophobicContact CB-CG2 4.35Å; V292-V443 HydrophobicContact CG1-CB 3.89Å; V292-V443 HydrophobicContact CG1-CG2 3.9Å; V299-V443 HydrophobicContact CG1-CG2 3.81Å; V299-V443 HydrophobicContact CG2-CG2 4.25Å; I439-V443 PolarHBondContact O-N 2.92Å; K440-V443 VanDerWaalsContact O-CG2 3.23Å; K440-V443 WeakPolarHBondContact O-CG2 3.48Å; V443-V445 VanDerWaalsContact C-N 3.34Å; V443-V445 PolarHBondContact O-N 3.4Å; V443-V446 PolarHBondContact O-N 3.28Å; V443-K447 WeakPolarHBondContact O-CB 3.45Å; V443-K447 PolarHBondContact O-N 2.86Å
444	L	96.8	Very high	92.9	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.052	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-39.3	179.5	-74	166	0	0	0	112.1	V292 V299 H414 K440 N441 V446 E448	V292-L444 HydrophobicContact CG2-CD2 4.14Å; V299-L444 HydrophobicContact CG2-CD1 3.83Å; V299-L444 HydrophobicContact CG2-CD2 3.81Å; V299-L444 HydrophobicContact CG2-CG 3.7Å; H414-L444 HydrophobicContact CB-CB 4.03Å; K440-L444 HydrophobicContact CB-CD1 4.43Å; K440-L444 WeakPolarHBondContact O-CB 3.28Å; K440-L444 WeakPolarHBondContact O-CD1 3.4Å; K440-L444 WeakPolarHBondContact O-CG 3.4Å; K440-L444 PolarHBondContact O-N 3.4Å; N441-L444 PolarHBondContact O-N 3.22Å; L444-V446 PolarHBondContact O-N 2.8Å; L444-E448 WeakPolarHBondContact O-CB 3.24Å; L444-E448 VanDerWaalsContact O-CG 3.23Å; L444-E448 WeakPolarHBondContact O-CG 3.29Å; L444-E448 PolarHBondContact O-N 3.47Å
445	V	95.8	Very high	92.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-44.7	178.4	167.5	0	0	0	0	111.9	V403 I406 T412 H414 N441 V443 A449	V403-V445 HydrophobicContact CG1-CB 3.9Å; V403-V445 HydrophobicContact CG1-CG1 3.68Å; V403-V445 WeakPolarHBondContact O-CG1 3.49Å; I406-V445 HydrophobicContact CB-CG1 4.19Å; I406-V445 HydrophobicContact CG2-CG1 3.98Å; T412-V445 HydrophobicContact CG2-CG1 4.41Å; H414-V445 HydrophobicContact CB-CG2 4.04Å; H414-V445 WeakPolarHBondContact O-CG2 3.42Å; N441-V445 WeakPolarHBondContact O-CB 3.41Å; N441-V445 WeakPolarHBondContact O-CG2 2.88Å; N441-V445 PolarHBondContact O-N 3.42Å; V443-V445 VanDerWaalsContact C-N 3.34Å; V443-V445 PolarHBondContact O-N 3.4Å; V445-A449 PolarHBondContact O-N 3.44Å
446	V	95.5	Very high	91.8	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-76	-42.3	-177.8	180	0	0	0	0	110.5	D270 H324 S395 V403 I406 V443 L444 E448 A449 L450	D270-V446 WeakPolarHBondContact OD1-CG1 3.42Å; D270-V446 WeakPolarHBondContact OD2-CB 3.43Å; H324-V446 HydrophobicContact CB-CG1 4.42Å; H324-V446 HydrophobicContact CB-CG2 4.09Å; S395-V446 WeakPolarHBondContact OG-CG1 3.39Å; V403-V446 HydrophobicContact CB-CG2 4.45Å; V403-V446 HydrophobicContact CG1-CG2 4.11Å; V403-V446 HydrophobicContact CG2-CG2 3.85Å; I406-V446 HydrophobicContact CD1-CG2 4.27Å; V443-V446 PolarHBondContact O-N 3.28Å; L444-V446 PolarHBondContact O-N 2.8Å; V446-E448 PolarHBondContact O-N 3.22Å; V446-A449 PolarHBondContact O-N 2.99Å; V446-A449 VanDerWaalsContact O-N 3.14Å; V446-L450 HydrophobicContact CG1-CD1 4.12Å; V446-L450 HydrophobicContact CG1-CG 4.36Å; V446-L450 WeakPolarHBondContact O-CG 3.2Å; V446-L450 PolarHBondContact O-N 3.12Å
447	K	95.5	Very high	91.2	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-49.7	-51.9	171.5	171.8	-89.1	-155.4	-168.8	0	112.3	D270 V292 L294 T296 E297 V443 A449 L450 E451	D270-K447 HydrophobicContact CB-CB 3.87Å; V292-K447 HydrophobicContact CG1-CB 3.86Å; V292-K447 HydrophobicContact CG1-CG 3.94Å; L294-K447 HydrophobicContact CD1-CG 4.32Å; L294-K447 HydrophobicContact CG-CG 4.41Å; T296-K447 WeakPolarHBondContact O-CE 3.23Å; T296-K447 PolarHBondContact O-NZ 3.44Å; E297-K447 IonicContact OE1-NZ 3.98Å; E297-K447 PolarHBondContact OE1-NZ 3.09Å; V443-K447 WeakPolarHBondContact O-CB 3.45Å; V443-K447 PolarHBondContact O-N 2.86Å; K447-A449 VanDerWaalsContact C-N 3.29Å; K447-A449 PolarHBondContact O-N 2.85Å; K447-L450 WeakPolarHBondContact O-CB 3.18Å; K447-L450 PolarHBondContact O-N 3.4Å; K447-L450 VanDerWaalsContact O-N 3.13Å; K447-E451 HydrophobicContact CD-CG 4.37Å; K447-E451 VanDerWaalsContact CD-OE1 3.27Å; K447-E451 WeakPolarHBondContact CD-OE1 3.33Å; K447-E451 WeakPolarHBondContact CE-OE1 3.42Å; K447-E451 IonicContact NZ-OE1 3.71Å; K447-E451 PolarHBondContact NZ-OE1 3.36Å; K447-E451 IonicContact NZ-OE2 3.59Å; K447-E451 PolarHBondContact NZ-OE2 3.38Å; K447-E451 WeakPolarHBondContact O-CG 3.45Å; K447-E451 PolarHBondContact O-N 2.89Å
448	E	93.3	Very high	90.8	Very high	19 Å²	19	22.8 Å²	22.8	9%	0.089	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-39.4	179.8	-74.3	174.1	-147.8	0	0	112.4	T412 K413 H414 L444 V446 E451 I452	T412-E448 VanDerWaalsContact C-OE2 3.28Å; T412-E448 WeakPolarHBondContact CA-OE2 3.43Å; T412-E448 WeakPolarHBondContact CB-OE2 3.46Å; T412-E448 HydrophobicContact CG2-CB 4.07Å; K413-E448 PolarHBondContact N-OE2 2.75Å; H414-E448 IonicContact CE1-OE1 3.55Å; H414-E448 IonicContact CG-OE1 3.71Å; H414-E448 PolarHBondContact N-OE1 2.92Å; H414-E448 IonicContact ND1-OE1 2.68Å; H414-E448 PolarHBondContact ND1-OE1 2.9Å; L444-E448 WeakPolarHBondContact O-CB 3.24Å; L444-E448 VanDerWaalsContact O-CG 3.23Å; L444-E448 WeakPolarHBondContact O-CG 3.29Å; L444-E448 PolarHBondContact O-N 3.47Å; V446-E448 PolarHBondContact O-N 3.22Å; E448-E451 PolarHBondContact O-N 3.49Å; E448-I452 WeakPolarHBondContact O-CG1 3.15Å; E448-I452 PolarHBondContact O-N 3.19Å
449	A	93.2	Very high	90.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-70.6	-35.9	177.3	0	0	0	0	0	112.6	L399 I406 F410 V445 V446 K447 M453	L399-A449 HydrophobicContact CD1-CB 3.56Å; L399-A449 HydrophobicContact CD2-CB 4.47Å; I406-A449 HydrophobicContact CG2-CB 3.42Å; I406-A449 VanDerWaalsContact CG2-CB 3.42Å; F410-A449 HydrophobicContact CD1-CB 3.96Å; F410-A449 HydrophobicContact CE1-CB 4.31Å; F410-A449 HydrophobicContact CG-CB 4.09Å; V445-A449 PolarHBondContact O-N 3.44Å; V446-A449 PolarHBondContact O-N 2.99Å; V446-A449 VanDerWaalsContact O-N 3.14Å; K447-A449 VanDerWaalsContact C-N 3.29Å; K447-A449 PolarHBondContact O-N 2.85Å; A449-M453 WeakPolarHBondContact O-CG 3.15Å; A449-M453 PolarHBondContact O-N 2.77Å
450	L	92.8	Very high	90.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-41.7	173.3	-72.9	172.2	0	0	0	111.7	D270 L294 Y322 L398 L399 V446 K447 I452 M453 F454	D270-L450 HydrophobicContact CB-CD1 4.43Å; L294-L450 HydrophobicContact CD2-CB 4.15Å; Y322-L450 HydrophobicContact CD1-CD1 4.27Å; Y322-L450 HydrophobicContact CD1-CD2 4.42Å; Y322-L450 HydrophobicContact CD2-CD1 4.07Å; Y322-L450 HydrophobicContact CG-CD1 3.76Å; L398-L450 HydrophobicContact CD1-CD2 4.22Å; L399-L450 HydrophobicContact CD1-CD2 4.17Å; L399-L450 HydrophobicContact CD1-CG 4.26Å; V446-L450 HydrophobicContact CG1-CD1 4.12Å; V446-L450 HydrophobicContact CG1-CG 4.36Å; V446-L450 WeakPolarHBondContact O-CG 3.2Å; V446-L450 PolarHBondContact O-N 3.12Å; K447-L450 WeakPolarHBondContact O-CB 3.18Å; K447-L450 PolarHBondContact O-N 3.4Å; K447-L450 VanDerWaalsContact O-N 3.13Å; L450-I452 VanDerWaalsContact C-N 3.33Å; L450-I452 PolarHBondContact O-N 3.41Å; L450-M453 WeakPolarHBondContact O-CB 3.39Å; L450-M453 PolarHBondContact O-N 2.69Å; L450-F454 HydrophobicContact CD2-CE1 4.41Å; L450-F454 WeakPolarHBondContact O-CB 3.42Å; L450-F454 VanDerWaalsContact O-CD1 3.23Å; L450-F454 WeakPolarHBondContact O-CD1 3.3Å; L450-F454 WeakPolarHBondContact O-CG 3.36Å; L450-F454 PolarHBondContact O-N 2.88Å
451	E	90.9	Very high	90.1	Very high	31 Å²	31	32.2 Å²	32.2	15%	0.145	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-42.9	175.9	-72.5	173.8	165.1	0	0	112.2	L294 F295 K447 E448 F454 T455	L294-E451 HydrophobicContact CB-CG 4.42Å; L294-E451 HydrophobicContact CG-CG 4.26Å; F295-E451 WeakPolarHBondContact CA-OE1 3.21Å; F295-E451 HydrophobicContact CD1-CB 4.27Å; F295-E451 HydrophobicContact CD1-CG 3.82Å; F295-E451 HydrophobicContact CE1-CB 3.77Å; F295-E451 HydrophobicContact CE1-CG 3.72Å; F295-E451 HydrophobicContact CG-CG 4.34Å; F295-E451 HydrophobicContact CZ-CB 4.27Å; F295-E451 HydrophobicContact CZ-CG 4.14Å; F295-E451 PolarHBondContact N-OE1 3.42Å; K447-E451 HydrophobicContact CD-CG 4.37Å; K447-E451 VanDerWaalsContact CD-OE1 3.27Å; K447-E451 WeakPolarHBondContact CD-OE1 3.33Å; K447-E451 WeakPolarHBondContact CE-OE1 3.42Å; K447-E451 IonicContact NZ-OE1 3.71Å; K447-E451 PolarHBondContact NZ-OE1 3.36Å; K447-E451 IonicContact NZ-OE2 3.59Å; K447-E451 PolarHBondContact NZ-OE2 3.38Å; K447-E451 WeakPolarHBondContact O-CG 3.45Å; K447-E451 PolarHBondContact O-N 2.89Å; E448-E451 PolarHBondContact O-N 3.49Å; E451-F454 PolarHBondContact O-N 3.26Å; E451-T455 VanDerWaalsContact O-CB 3.3Å; E451-T455 WeakPolarHBondContact O-CB 3.5Å; E451-T455 PolarHBondContact O-N 3.39Å; E451-T455 PolarHBondContact O-OG1 3.01Å
452	I	87.6	Confident	90	Very high	53 Å²	53	31.8 Å²	31.8	27%	0.272	17%	0.172	S	C	.	.	H	α-helix	trans	-60.9	-47.6	175.7	-64.4	165.1	0	0	0	109.8	F410 E448 L450 F454 T455 E456 A687 L691	F410-I452 HydrophobicContact CD1-CD1 4.05Å; E448-I452 WeakPolarHBondContact O-CG1 3.15Å; E448-I452 PolarHBondContact O-N 3.19Å; L450-I452 VanDerWaalsContact C-N 3.33Å; L450-I452 PolarHBondContact O-N 3.41Å; I452-F454 VanDerWaalsContact C-N 3.31Å; I452-F454 PolarHBondContact O-N 3.16Å; I452-T455 PolarHBondContact O-N 3.31Å; I452-E456 PolarHBondContact O-N 3.48Å; I452-E456 VanDerWaalsContact O-N 3.14Å; I452-A687 HydrophobicContact CD1-CB 3.79Å; I452-A687 HydrophobicContact CG2-CB 4.29Å; I452-L691 HydrophobicContact CG2-CD1 3.77Å
453	M	86.5	Confident	90.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-43.9	175.9	-77.1	-72.5	-83.1	0	0	112.1	L398 L399 A449 L450 E456 G457 H458 I463 L691	L398-M453 HydrophobicContact CD2-CE 4.05Å; L399-M453 HydrophobicContact CD2-CG 4.2Å; A449-M453 WeakPolarHBondContact O-CG 3.15Å; A449-M453 PolarHBondContact O-N 2.77Å; L450-M453 WeakPolarHBondContact O-CB 3.39Å; L450-M453 PolarHBondContact O-N 2.69Å; M453-E456 PolarHBondContact O-N 2.97Å; M453-G457 PolarHBondContact O-N 2.91Å; M453-H458 HydrophobicContact CB-CB 4.48Å; M453-H458 HydrophobicContact CE-CB 3.81Å; M453-H458 WeakPolarHBondContact O-CA 3.46Å; M453-H458 WeakPolarHBondContact O-CB 3.18Å; M453-H458 PolarHBondContact O-N 3.44Å; M453-H458 HydrophobicContact SD-CB 4.08Å; M453-I463 HydrophobicContact CE-CD1 3.98Å; M453-L691 HydrophobicContact CG-CD2 4.03Å; M453-L691 HydrophobicContact SD-CD1 4.24Å; M453-L691 HydrophobicContact SD-CD2 3.14Å; M453-L691 WeakPolarHBondContact SD-CD2 3.5Å; M453-L691 HydrophobicContact SD-CG 4.31Å
454	F	85.9	Confident	89.9	Confident	6 Å²	6	32.3 Å²	32.3	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-72.6	-36.5	-174.9	-79.8	25.3	0	0	0	111.8	W268 L294 F295 Y322 L450 E451 I452 E456 G457 K459	W268-F454 HydrophobicContact CB-CE2 4.32Å; W268-F454 AromaticContact CD1-CE2 3.77Å; W268-F454 HydrophobicContact CD2-CD2 4.35Å; W268-F454 AromaticContact CD2-CE2 3.95Å; W268-F454 HydrophobicContact CD2-CE2 3.95Å; W268-F454 AromaticContact CG-CE2 3.75Å; W268-F454 HydrophobicContact CG-CE2 3.75Å; W268-F454 AromaticContact NE1-CE2 3.95Å; L294-F454 HydrophobicContact CD2-CD2 3.71Å; L294-F454 HydrophobicContact CD2-CE2 3.6Å; L294-F454 HydrophobicContact CD2-CZ 4.32Å; F295-F454 HydrophobicContact CZ-CB 4.29Å; Y322-F454 HydrophobicContact CE2-CE2 4.39Å; Y322-F454 AromaticContact CE2-CZ 3.77Å; Y322-F454 HydrophobicContact CE2-CZ 3.77Å; Y322-F454 AromaticContact CZ-CZ 3.81Å; Y322-F454 WeakPolarHBondContact OH-CZ 3.38Å; L450-F454 HydrophobicContact CD2-CE1 4.41Å; L450-F454 WeakPolarHBondContact O-CB 3.42Å; L450-F454 VanDerWaalsContact O-CD1 3.23Å; L450-F454 WeakPolarHBondContact O-CD1 3.3Å; L450-F454 WeakPolarHBondContact O-CG 3.36Å; L450-F454 PolarHBondContact O-N 2.88Å; E451-F454 PolarHBondContact O-N 3.26Å; I452-F454 VanDerWaalsContact C-N 3.31Å; I452-F454 PolarHBondContact O-N 3.16Å; F454-E456 VanDerWaalsContact C-N 3.28Å; F454-E456 PolarHBondContact O-N 3.38Å; F454-G457 WeakPolarHBondContact O-CA 3.14Å; F454-G457 PolarHBondContact O-N 2.94Å; F454-K459 HydrophobicContact CB-CG 4.22Å; F454-K459 HydrophobicContact CD1-CB 4.42Å; F454-K459 HydrophobicContact CD1-CG 3.91Å; F454-K459 HydrophobicContact CD2-CD 4.38Å; F454-K459 HydrophobicContact CD2-CG 4.29Å; F454-K459 HydrophobicContact CE1-CB 4.42Å; F454-K459 HydrophobicContact CE1-CG 4.37Å; F454-K459 HydrophobicContact CG-CD 4.35Å; F454-K459 HydrophobicContact CG-CG 3.87Å; F454-K459 WeakPolarHBondContact O-CE 3.41Å
455	T	83.1	Confident	89.6	Confident	110 Å²	110	33.4 Å²	33.4	68%	0.675	19%	0.185	S	C	*	.	H	α-helix	trans	-63.4	-34.3	173.7	-57.4	0	0	0	0	111.4	E451 I452 G457	E451-T455 VanDerWaalsContact O-CB 3.3Å; E451-T455 WeakPolarHBondContact O-CB 3.5Å; E451-T455 PolarHBondContact O-N 3.39Å; E451-T455 PolarHBondContact O-OG1 3.01Å; I452-T455 PolarHBondContact O-N 3.31Å; T455-G457 PolarHBondContact O-N 2.97Å
456	E	78.8	Confident	89.5	Confident	78 Å²	78	33.6 Å²	33.6	36%	0.364	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	2.8	172.8	-64.7	-167.9	173.3	0	0	113.6	I452 M453 F454 H458 L691	I452-E456 PolarHBondContact O-N 3.48Å; I452-E456 VanDerWaalsContact O-N 3.14Å; M453-E456 PolarHBondContact O-N 2.97Å; F454-E456 VanDerWaalsContact C-N 3.28Å; F454-E456 PolarHBondContact O-N 3.38Å; E456-H458 IonicContact OE2-CD2 2.72Å; E456-H458 IonicContact OE2-NE2 3.58Å; E456-L691 WeakPolarHBondContact OE2-CD1 3.39Å
457	G	80.6	Confident	89.5	Confident	54 Å²	54	33.5 Å²	33.5	56%	0.557	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	13.4	178	0	0	0	0	0	114.5	M453 F454 T455 K459	M453-G457 PolarHBondContact O-N 2.91Å; F454-G457 WeakPolarHBondContact O-CA 3.14Å; F454-G457 PolarHBondContact O-N 2.94Å; T455-G457 PolarHBondContact O-N 2.97Å; G457-K459 PolarHBondContact O-N 3.11Å
458	H	86	Confident	89.4	Confident	14 Å²	14	34.8 Å²	34.8	7%	0.065	19%	0.192	C	C	.	.			trans	-94.1	62.5	-174.4	-57.9	-34.4	0	0	0	112.7	M453 E456 C466 F695	M453-H458 HydrophobicContact CB-CB 4.48Å; M453-H458 HydrophobicContact CE-CB 3.81Å; M453-H458 WeakPolarHBondContact O-CA 3.46Å; M453-H458 WeakPolarHBondContact O-CB 3.18Å; M453-H458 PolarHBondContact O-N 3.44Å; M453-H458 HydrophobicContact SD-CB 4.08Å; E456-H458 IonicContact OE2-CD2 2.72Å; E456-H458 IonicContact OE2-NE2 3.58Å; H458-C466 HydrophobicContact CB-CB 4.35Å; H458-F695 HydrophobicContact CB-CZ 4.38Å; H458-F695 AromaticContact CD2-CE2 3.63Å; H458-F695 AromaticContact CD2-CZ 3.43Å; H458-F695 VanDerWaalsContact CD2-CZ 3.43Å; H458-F695 WeakPolarHBondContact CD2-CZ 3.33Å; H458-F695 AromaticContact CE1-CE1 3.9Å; H458-F695 AromaticContact CE1-CZ 3.47Å; H458-F695 VanDerWaalsContact CE1-CZ 3.47Å; H458-F695 WeakPolarHBondContact CE1-CZ 3.34Å; H458-F695 AromaticContact CG-CZ 3.56Å; H458-F695 AromaticContact ND1-CZ 3.59Å; H458-F695 AromaticContact NE2-CE2 3.74Å; H458-F695 AromaticContact NE2-CZ 3.34Å; H458-F695 VanDerWaalsContact NE2-CZ 3.34Å; H458-F695 WeakPolarHBondContact NE2-CZ 3.3Å
459	K	85.7	Confident	89.3	Confident	96 Å²	96	35.3 Å²	35.3	42%	0.417	20%	0.2	S	C	.	.			trans	-96.6	11	-172.2	-52.8	-174.5	-179.8	-172.5	0	115.7	F454 G457	F454-K459 HydrophobicContact CB-CG 4.22Å; F454-K459 HydrophobicContact CD1-CB 4.42Å; F454-K459 HydrophobicContact CD1-CG 3.91Å; F454-K459 HydrophobicContact CD2-CD 4.38Å; F454-K459 HydrophobicContact CD2-CG 4.29Å; F454-K459 HydrophobicContact CE1-CB 4.42Å; F454-K459 HydrophobicContact CE1-CG 4.37Å; F454-K459 HydrophobicContact CG-CD 4.35Å; F454-K459 HydrophobicContact CG-CG 3.87Å; F454-K459 WeakPolarHBondContact O-CE 3.41Å; G457-K459 PolarHBondContact O-N 3.11Å
460	K	89.6	Confident	89.3	Confident	113 Å²	113	36.9 Å²	36.9	49%	0.491	21%	0.207	S	C	.	.	S	Bend	trans	-76.4	165.8	-179.7	-59.8	-156.7	171.6	-147.6	0	111.1	L398 T462 A469	L398-K460 WeakPolarHBondContact CD1-O 3.41Å; L398-K460 WeakPolarHBondContact CD2-O 3.26Å; L398-K460 WeakPolarHBondContact CG-O 3.5Å; K460-T462 VanDerWaalsContact C-N 3.27Å; K460-T462 PolarHBondContact O-N 2.9Å; K460-A469 HydrophobicContact CD-CB 3.99Å; K460-A469 VanDerWaalsContact CE-CB 3.49Å
461	L	90.7	Very high	89.4	Confident	53 Å²	53	36.9 Å²	36.9	28%	0.277	21%	0.208	S	C	.	.	S	Bend	trans	-62.7	-26.5	-176.2	-169.2	62	0	0	0	114.9	Y379 R393	Y379-L461 HydrophobicContact CD1-CD2 4.43Å; R393-L461 HydrophobicContact CB-CD1 4.29Å; R393-L461 HydrophobicContact CG-CD1 4.07Å
462	T	93	Very high	89.5	Confident	20 Å²	20	39.1 Å²	39.1	12%	0.123	22%	0.217	C	C	.	.	S	Bend	trans	-141.8	151	-178.5	81.6	0	0	0	0	112.3	Y379 K397 K460 G464 S465 C466	Y379-T462 HydrophobicContact CD1-CG2 3.97Å; Y379-T462 HydrophobicContact CE1-CG2 3.94Å; K397-T462 HydrophobicContact CB-CG2 3.94Å; K397-T462 CarbonylContact O-C 3.48Å; K397-T462 VanDerWaalsContact O-CA 3.26Å; K397-T462 WeakPolarHBondContact O-CA 3.5Å; K460-T462 VanDerWaalsContact C-N 3.27Å; K460-T462 PolarHBondContact O-N 2.9Å; T462-G464 VanDerWaalsContact C-N 3.3Å; T462-G464 PolarHBondContact O-N 3.36Å; T462-S465 WeakPolarHBondContact O-CA 3.35Å; T462-S465 WeakPolarHBondContact O-CB 3.13Å; T462-S465 PolarHBondContact O-N 3.47Å; T462-S465 PolarHBondContact OG1-N 3.23Å; T462-S465 PolarHBondContact OG1-OG 2.91Å; T462-C466 PolarHBondContact O-N 3.46Å
463	I	93.8	Very high	89.7	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-56.1	-43.9	179.5	-175.5	57.5	0	0	0	112.2	K397 L398 M453 S465 C466 C467 L694 F695	K397-I463 PolarHBondContact O-N 2.89Å; L398-I463 WeakPolarHBondContact O-CB 3.3Å; M453-I463 HydrophobicContact CE-CD1 3.98Å; I463-S465 PolarHBondContact O-N 3.08Å; I463-C466 WeakPolarHBondContact O-CB 3.32Å; I463-C466 PolarHBondContact O-N 3.15Å; I463-C466 VanDerWaalsContact O-N 3.14Å; I463-C467 PolarHBondContact O-N 2.63Å; I463-C467 PolarHBondContact O-SG 2.96Å; I463-L694 HydrophobicContact CD1-CB 4.02Å; I463-L694 HydrophobicContact CD1-CD1 4.23Å; I463-L694 HydrophobicContact CG1-CB 3.99Å; I463-L694 HydrophobicContact CG1-CD1 4.32Å; I463-F695 HydrophobicContact CD1-CD2 4.02Å; I463-F695 HydrophobicContact CD1-CE2 3.73Å; I463-F695 HydrophobicContact CD1-CZ 4.35Å
464	G	92.2	Very high	89.9	Confident	8 Å²	8	44 Å²	44	8%	0.082	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-33.2	176.3	0	0	0	0	0	112.1	T462 C467 L468 K702	T462-G464 VanDerWaalsContact C-N 3.3Å; T462-G464 PolarHBondContact O-N 3.36Å; G464-C467 WeakPolarHBondContact O-CB 3.39Å; G464-C467 PolarHBondContact O-N 3.21Å; G464-L468 PolarHBondContact O-N 3.16Å; G464-K702 VanDerWaalsContact O-CE 3.28Å; G464-K702 WeakPolarHBondContact O-CE 3.45Å; G464-K702 VanDerWaalsContact O-CG 3.32Å; G464-K702 WeakPolarHBondContact O-CG 3.5Å
465	S	91.9	Very high	90.2	Very high	32 Å²	32	45.5 Å²	45.5	22%	0.224	25%	0.247	C	C	.	.	H	α-helix	trans	-71.6	-35.9	177.4	-52.9	0	0	0	0	111.4	T462 I463 A469 K702	T462-S465 WeakPolarHBondContact O-CA 3.35Å; T462-S465 WeakPolarHBondContact O-CB 3.13Å; T462-S465 PolarHBondContact O-N 3.47Å; T462-S465 PolarHBondContact OG1-N 3.23Å; T462-S465 PolarHBondContact OG1-OG 2.91Å; I463-S465 PolarHBondContact O-N 3.08Å; S465-A469 WeakPolarHBondContact O-CB 3.49Å; S465-A469 PolarHBondContact O-N 3.14Å; S465-K702 VanDerWaalsContact N-CE 3.27Å; S465-K702 PolarHBondContact OG-NZ 3.16Å
466	C	93.1	Very high	90.5	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-48.3	168	-64.8	0	0	0	0	111.2	H458 T462 I463 L468 A469 E470 F695	H458-C466 HydrophobicContact CB-CB 4.35Å; T462-C466 PolarHBondContact O-N 3.46Å; I463-C466 WeakPolarHBondContact O-CB 3.32Å; I463-C466 PolarHBondContact O-N 3.15Å; I463-C466 VanDerWaalsContact O-N 3.14Å; C466-L468 PolarHBondContact O-N 3.34Å; C466-A469 PolarHBondContact O-N 2.99Å; C466-E470 WeakPolarHBondContact O-CB 3.49Å; C466-E470 PolarHBondContact O-N 2.81Å; C466-F695 HydrophobicContact CB-CE1 4.25Å; C466-F695 HydrophobicContact CB-CZ 3.84Å
467	C	95.1	Very high	91	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.5	-47.8	178.3	-62.7	0	0	0	0	112.4	I463 G464 E470 Y471 Y673 F695 L699	I463-C467 PolarHBondContact O-N 2.63Å; I463-C467 PolarHBondContact O-SG 2.96Å; G464-C467 WeakPolarHBondContact O-CB 3.39Å; G464-C467 PolarHBondContact O-N 3.21Å; C467-E470 PolarHBondContact O-N 2.79Å; C467-Y471 WeakPolarHBondContact O-CB 3.37Å; C467-Y471 PolarHBondContact O-N 3.18Å; C467-Y673 VanDerWaalsContact CB-OH 3.29Å; C467-Y673 WeakPolarHBondContact CB-OH 3.3Å; C467-Y673 WeakPolarHBondContact O-CE2 3.06Å; C467-F695 HydrophobicContact CB-CD1 4.38Å; C467-L699 HydrophobicContact CB-CB 4.37Å; C467-L699 HydrophobicContact CB-CD1 4.46Å
468	L	93.4	Very high	91.5	Very high	31 Å²	31	53.1 Å²	53.1	16%	0.162	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-38.3	-179.9	-177	61.7	0	0	0	112.2	G464 C466 E470 Y471 K472 Y480 L699 K702	G464-L468 PolarHBondContact O-N 3.16Å; C466-L468 PolarHBondContact O-N 3.34Å; L468-E470 VanDerWaalsContact C-N 3.35Å; L468-Y471 PolarHBondContact O-N 3.15Å; L468-K472 HydrophobicContact CG-CD 4.29Å; L468-K472 WeakPolarHBondContact O-CB 3.42Å; L468-K472 VanDerWaalsContact O-CG 3.3Å; L468-K472 WeakPolarHBondContact O-CG 3.28Å; L468-K472 PolarHBondContact O-N 2.87Å; L468-Y480 HydrophobicContact CD1-CE2 3.95Å; L468-L699 HydrophobicContact CD1-CD1 4.42Å; L468-K702 HydrophobicContact CB-CB 4.34Å; L468-K702 HydrophobicContact CB-CG 4.28Å; L468-K702 HydrophobicContact CD2-CB 4.46Å
469	A	92.1	Very high	91.8	Very high	31 Å²	31	54.4 Å²	54.4	26%	0.256	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-43	176.9	0	0	0	0	0	111.3	K460 S465 C466 K472 K473	K460-A469 HydrophobicContact CD-CB 3.99Å; K460-A469 VanDerWaalsContact CE-CB 3.49Å; S465-A469 WeakPolarHBondContact O-CB 3.49Å; S465-A469 PolarHBondContact O-N 3.14Å; C466-A469 PolarHBondContact O-N 2.99Å; A469-K472 PolarHBondContact O-N 3.04Å; A469-K473 PolarHBondContact O-N 3.48Å
470	E	93	Very high	92.1	Very high	32 Å²	32	51.1 Å²	51.1	15%	0.15	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-46	175.2	-178.1	71.4	-173.7	0	0	111.9	C466 C467 L468 K472 K473 S474 Y673 K676 Y677 F695	C466-E470 WeakPolarHBondContact O-CB 3.49Å; C466-E470 PolarHBondContact O-N 2.81Å; C467-E470 PolarHBondContact O-N 2.79Å; L468-E470 VanDerWaalsContact C-N 3.35Å; E470-K472 PolarHBondContact O-N 3.03Å; E470-K473 WeakPolarHBondContact O-CB 3.32Å; E470-K473 PolarHBondContact O-N 3.29Å; E470-K473 VanDerWaalsContact O-N 3.13Å; E470-S474 PolarHBondContact O-N 2.51Å; E470-Y673 HydrophobicContact CB-CE2 4.08Å; E470-Y673 HydrophobicContact CG-CD2 4.15Å; E470-Y673 HydrophobicContact CG-CE2 3.92Å; E470-K676 IonicContact OE1-NZ 2.66Å; E470-K676 PolarHBondContact OE1-NZ 3Å; E470-Y677 HydrophobicContact CG-CE2 4.02Å; E470-Y677 VanDerWaalsContact CG-OH 3.27Å; E470-Y677 WeakPolarHBondContact CG-OH 3.31Å; E470-F695 HydrophobicContact CB-CE1 4.08Å; E470-F695 HydrophobicContact CG-CE1 4.41Å
471	Y	95	Very high	92.3	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-41.5	176.4	179.9	-115.2	0	0	0	112.2	C467 L468 K473 S474 I475 Y480 F484 I669 F670 Y673 L699 M703	C467-Y471 WeakPolarHBondContact O-CB 3.37Å; C467-Y471 PolarHBondContact O-N 3.18Å; L468-Y471 PolarHBondContact O-N 3.15Å; Y471-K473 VanDerWaalsContact C-N 3.29Å; Y471-K473 PolarHBondContact O-N 2.93Å; Y471-S474 PolarHBondContact O-N 3.41Å; Y471-S474 PolarHBondContact O-OG 2.94Å; Y471-I475 HydrophobicContact CE1-CD1 3.97Å; Y471-I475 HydrophobicContact CE2-CG2 3.96Å; Y471-I475 PolarHBondContact O-N 2.83Å; Y471-Y480 HydrophobicContact CD1-CD2 4.17Å; Y471-Y480 AromaticContact CD1-CE2 3.97Å; Y471-Y480 HydrophobicContact CD1-CE2 3.97Å; Y471-Y480 HydrophobicContact CE1-CD2 4.14Å; Y471-Y480 HydrophobicContact CE1-CE2 4.07Å; Y471-F484 AromaticContact CE1-CE2 3.67Å; Y471-F484 HydrophobicContact CE1-CE2 3.67Å; Y471-F484 HydrophobicContact CE1-CZ 4.22Å; Y471-F484 WeakPolarHBondContact OH-CZ 3.29Å; Y471-I669 PolarHBondContact OH-O 3.12Å; Y471-I669 VanDerWaalsContact OH-O 3.08Å; Y471-F670 HydrophobicContact CD2-CD1 4.45Å; Y471-F670 HydrophobicContact CE1-CD1 4.42Å; Y471-F670 HydrophobicContact CE1-CE1 4.15Å; Y471-F670 AromaticContact CE2-CD1 3.68Å; Y471-F670 HydrophobicContact CE2-CD1 3.68Å; Y471-F670 HydrophobicContact CE2-CE1 4.23Å; Y471-F670 AromaticContact CZ-CD1 3.65Å; Y471-F670 AromaticContact CZ-CE1 3.72Å; Y471-Y673 HydrophobicContact CD2-CD2 4.23Å; Y471-Y673 HydrophobicContact CD2-CG 4.14Å; Y471-L699 HydrophobicContact CD1-CD1 4.34Å; Y471-L699 HydrophobicContact CD1-CD2 4.46Å; Y471-L699 HydrophobicContact CD2-CD2 4Å; Y471-L699 HydrophobicContact CG-CD1 4.19Å; Y471-L699 HydrophobicContact CG-CD2 3.89Å; Y471-M703 HydrophobicContact CD1-CE 3.6Å; Y471-M703 HydrophobicContact CE1-CE 3.29Å
472	K	92.9	Very high	92.5	Very high	77 Å²	77	50.9 Å²	50.9	34%	0.335	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-37.9	172.5	-77.5	175.8	176.7	-171.9	0	112.1	L468 A469 E470 G476 Y480	L468-K472 HydrophobicContact CG-CD 4.29Å; L468-K472 WeakPolarHBondContact O-CB 3.42Å; L468-K472 VanDerWaalsContact O-CG 3.3Å; L468-K472 WeakPolarHBondContact O-CG 3.28Å; L468-K472 PolarHBondContact O-N 2.87Å; A469-K472 PolarHBondContact O-N 3.04Å; E470-K472 PolarHBondContact O-N 3.03Å; K472-G476 CarbonylContact O-C 3.45Å; K472-G476 VanDerWaalsContact O-CA 3.3Å; K472-G476 WeakPolarHBondContact O-CA 3.49Å; K472-G476 PolarHBondContact O-N 3.24Å; K472-Y480 HydrophobicContact CB-CD2 4.4Å; K472-Y480 HydrophobicContact CD-CD2 4.37Å; K472-Y480 HydrophobicContact CD-CE1 4.47Å; K472-Y480 HydrophobicContact CD-CE2 4.28Å; K472-Y480 HydrophobicContact CD-CG 4.5Å; K472-Y480 HydrophobicContact CG-CD1 4.25Å; K472-Y480 HydrophobicContact CG-CD2 3.39Å; K472-Y480 HydrophobicContact CG-CE1 4.44Å; K472-Y480 HydrophobicContact CG-CE2 3.57Å; K472-Y480 HydrophobicContact CG-CG 3.77Å
473	K	91.2	Very high	92.6	Very high	131 Å²	131	51.7 Å²	51.7	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-65.4	-42.3	174.9	-172.3	-179	178.8	-177	0	110.6	D174 A469 E470 Y471	D174-K473 IonicContact OD1-NZ 3.65Å; D174-K473 PolarHBondContact OD1-NZ 3.34Å; D174-K473 IonicContact OD2-NZ 3.87Å; A469-K473 PolarHBondContact O-N 3.48Å; E470-K473 WeakPolarHBondContact O-CB 3.32Å; E470-K473 PolarHBondContact O-N 3.29Å; E470-K473 VanDerWaalsContact O-N 3.13Å; Y471-K473 VanDerWaalsContact C-N 3.29Å; Y471-K473 PolarHBondContact O-N 2.93Å
474	S	90.5	Very high	92.7	Very high	26 Å²	26	52 Å²	52	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-43.1	-174.9	72.8	0	0	0	0	113.2	E470 Y471 Q672	E470-S474 PolarHBondContact O-N 2.51Å; Y471-S474 PolarHBondContact O-N 3.41Å; Y471-S474 PolarHBondContact O-OG 2.94Å; S474-Q672 VanDerWaalsContact O-CD 3.27Å; S474-Q672 PolarHBondContact O-NE2 3.19Å; S474-Q672 PolarHBondContact O-OE1 2.84Å; S474-Q672 VanDerWaalsContact O-OE1 3.04Å
475	I	92.3	Very high	92.8	Very high	36 Å²	36	53 Å²	53	19%	0.185	29%	0.286	C	S	.	.	H	α-helix	trans	-92.8	-17.5	179.9	71.4	174.1	0	0	0	113.8	Y471 A479 Y480 M483 F484	Y471-I475 HydrophobicContact CE1-CD1 3.97Å; Y471-I475 HydrophobicContact CE2-CG2 3.96Å; Y471-I475 PolarHBondContact O-N 2.83Å; I475-A479 WeakPolarHBondContact O-CB 3.27Å; I475-Y480 HydrophobicContact CD1-CD2 3.91Å; I475-Y480 HydrophobicContact CD1-CG 4.35Å; I475-M483 HydrophobicContact CD1-SD 4.35Å; I475-F484 HydrophobicContact CD1-CE2 3.93Å
476	G	89.3	Confident	93	Very high	28 Å²	28	54 Å²	54	29%	0.289	29%	0.289	S	S	.	.			trans	87.5	146.9	-177.6	0	0	0	0	0	114.1	K472 K478 A479 Y480	K472-G476 CarbonylContact O-C 3.45Å; K472-G476 VanDerWaalsContact O-CA 3.3Å; K472-G476 WeakPolarHBondContact O-CA 3.49Å; K472-G476 PolarHBondContact O-N 3.24Å; G476-K478 PolarHBondContact O-N 3.24Å; G476-A479 PolarHBondContact O-N 3.32Å; G476-Y480 WeakPolarHBondContact O-CB 3.35Å; G476-Y480 PolarHBondContact O-N 3.37Å
477	K	89.5	Confident	93.1	Very high	190 Å²	190	54 Å²	54	83%	0.826	29%	0.289	S	S	*	.	H	α-helix	trans	-56.4	-44	-173.6	-66.9	-179	-178.7	175.4	0	113.6	Y480 A481	K477-Y480 PolarHBondContact O-N 3.44Å; K477-A481 WeakPolarHBondContact O-CB 3.4Å; K477-A481 PolarHBondContact O-N 3.31Å
478	K	90.7	Very high	93.1	Very high	184 Å²	184	55.3 Å²	55.3	80%	0.8	29%	0.294	S	S	*	.	H	α-helix	trans	-65.5	-47.6	-178.7	-173.8	176.9	179.7	178.1	0	111.5	G476 Y480 A481 T482	G476-K478 PolarHBondContact O-N 3.24Å; K478-Y480 PolarHBondContact O-N 3.33Å; K478-A481 PolarHBondContact O-N 3.07Å; K478-T482 PolarHBondContact O-N 3.42Å; K478-T482 PolarHBondContact O-OG1 3.19Å
479	A	92.1	Very high	93.2	Very high	42 Å²	42	60.9 Å²	60.9	35%	0.347	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-42.9	177.5	0	0	0	0	0	111.4	I475 G476 A481 T482 M483	I475-A479 WeakPolarHBondContact O-CB 3.27Å; G476-A479 PolarHBondContact O-N 3.32Å; A479-A481 PolarHBondContact O-N 2.77Å; A479-T482 PolarHBondContact O-N 3.06Å; A479-M483 WeakPolarHBondContact O-CB 3.29Å; A479-M483 VanDerWaalsContact O-CG 3.29Å; A479-M483 WeakPolarHBondContact O-CG 3.32Å; A479-M483 PolarHBondContact O-N 3.47Å
480	Y	93.5	Very high	93.3	Very high	27 Å²	27	61.7 Å²	61.7	11%	0.106	32%	0.318	C	S	.	.	H	α-helix	trans	-57	-49	175.3	-174.1	-78.1	0	0	0	111.8	L468 Y471 K472 I475 G476 K477 K478 T482 M483 F484	L468-Y480 HydrophobicContact CD1-CE2 3.95Å; Y471-Y480 HydrophobicContact CD1-CD2 4.17Å; Y471-Y480 AromaticContact CD1-CE2 3.97Å; Y471-Y480 HydrophobicContact CD1-CE2 3.97Å; Y471-Y480 HydrophobicContact CE1-CD2 4.14Å; Y471-Y480 HydrophobicContact CE1-CE2 4.07Å; K472-Y480 HydrophobicContact CB-CD2 4.4Å; K472-Y480 HydrophobicContact CD-CD2 4.37Å; K472-Y480 HydrophobicContact CD-CE1 4.47Å; K472-Y480 HydrophobicContact CD-CE2 4.28Å; K472-Y480 HydrophobicContact CD-CG 4.5Å; K472-Y480 HydrophobicContact CG-CD1 4.25Å; K472-Y480 HydrophobicContact CG-CD2 3.39Å; K472-Y480 HydrophobicContact CG-CE1 4.44Å; K472-Y480 HydrophobicContact CG-CE2 3.57Å; K472-Y480 HydrophobicContact CG-CG 3.77Å; I475-Y480 HydrophobicContact CD1-CD2 3.91Å; I475-Y480 HydrophobicContact CD1-CG 4.35Å; G476-Y480 WeakPolarHBondContact O-CB 3.35Å; G476-Y480 PolarHBondContact O-N 3.37Å; K477-Y480 PolarHBondContact O-N 3.44Å; K478-Y480 PolarHBondContact O-N 3.33Å; Y480-T482 VanDerWaalsContact C-N 3.34Å; Y480-T482 PolarHBondContact O-N 2.94Å; Y480-M483 PolarHBondContact O-N 2.87Å; Y480-F484 HydrophobicContact CD1-CB 4.49Å; Y480-F484 HydrophobicContact CD1-CD2 4.25Å; Y480-F484 AromaticContact CD2-CD2 3.64Å; Y480-F484 HydrophobicContact CD2-CD2 3.64Å; Y480-F484 HydrophobicContact CD2-CE2 4.04Å; Y480-F484 HydrophobicContact CE1-CB 4.11Å; Y480-F484 HydrophobicContact CE1-CD2 4.22Å; Y480-F484 AromaticContact CE2-CD2 3.65Å; Y480-F484 HydrophobicContact CE2-CD2 3.65Å; Y480-F484 HydrophobicContact CE2-CE2 4.17Å; Y480-F484 AromaticContact CG-CD2 3.94Å; Y480-F484 HydrophobicContact CG-CD2 3.94Å; Y480-F484 AromaticContact CZ-CD2 3.92Å; Y480-F484 WeakPolarHBondContact O-CB 3.49Å; Y480-F484 WeakPolarHBondContact O-CD2 3.46Å; Y480-F484 PolarHBondContact O-N 3.3Å
481	A	93	Very high	93.5	Very high	60 Å²	60	65.4 Å²	65.4	50%	0.496	35%	0.345	S	S	.	.	H	α-helix	trans	-63.8	-37.7	-179.2	0	0	0	0	0	112.7	K477 K478 A479	K477-A481 WeakPolarHBondContact O-CB 3.4Å; K477-A481 PolarHBondContact O-N 3.31Å; K478-A481 PolarHBondContact O-N 3.07Å; A479-A481 PolarHBondContact O-N 2.77Å
482	T	94.1	Very high	93.5	Very high	100 Å²	100	67 Å²	67	61%	0.613	35%	0.353	S	S	*	.	H	α-helix	trans	-70.7	-40.1	176.6	-58.3	0	0	0	0	112.5	K478 A479 Y480	K478-T482 PolarHBondContact O-N 3.42Å; K478-T482 PolarHBondContact O-OG1 3.19Å; A479-T482 PolarHBondContact O-N 3.06Å; Y480-T482 VanDerWaalsContact C-N 3.34Å; Y480-T482 PolarHBondContact O-N 2.94Å
483	M	95.2	Very high	93.4	Very high	38 Å²	38	68.2 Å²	68.2	19%	0.187	36%	0.364	C	S	.	.	H	α-helix	trans	-75.9	-31.3	-179.1	-70	173.8	68	0	0	112.8	I475 A479 Y480 P485 I551 G552 I669	I475-M483 HydrophobicContact CD1-SD 4.35Å; A479-M483 WeakPolarHBondContact O-CB 3.29Å; A479-M483 VanDerWaalsContact O-CG 3.29Å; A479-M483 WeakPolarHBondContact O-CG 3.32Å; A479-M483 PolarHBondContact O-N 3.47Å; Y480-M483 PolarHBondContact O-N 2.87Å; M483-P485 VanDerWaalsContact C-CD 3.46Å; M483-I551 HydrophobicContact CB-CG2 4.44Å; M483-I551 HydrophobicContact CE-CG2 3.96Å; M483-G552 PolarHBondContact O-N 3.04Å; M483-I669 HydrophobicContact CE-CB 3.72Å; M483-I669 HydrophobicContact CE-CD1 4.41Å; M483-I669 HydrophobicContact CE-CG2 3.56Å
484	F	96.5	Very high	93.4	Very high	13 Å²	13	71.2 Å²	71.2	6%	0.057	38%	0.377	C	S	.	.	S	Bend	trans	-130.5	63.3	-170	-51.2	-53.3	0	0	0	111.8	Y471 I475 Y480 I551 I669 M703 Y736 V739	Y471-F484 AromaticContact CE1-CE2 3.67Å; Y471-F484 HydrophobicContact CE1-CE2 3.67Å; Y471-F484 HydrophobicContact CE1-CZ 4.22Å; Y471-F484 WeakPolarHBondContact OH-CZ 3.29Å; I475-F484 HydrophobicContact CD1-CE2 3.93Å; Y480-F484 HydrophobicContact CD1-CB 4.49Å; Y480-F484 HydrophobicContact CD1-CD2 4.25Å; Y480-F484 AromaticContact CD2-CD2 3.64Å; Y480-F484 HydrophobicContact CD2-CD2 3.64Å; Y480-F484 HydrophobicContact CD2-CE2 4.04Å; Y480-F484 HydrophobicContact CE1-CB 4.11Å; Y480-F484 HydrophobicContact CE1-CD2 4.22Å; Y480-F484 AromaticContact CE2-CD2 3.65Å; Y480-F484 HydrophobicContact CE2-CD2 3.65Å; Y480-F484 HydrophobicContact CE2-CE2 4.17Å; Y480-F484 AromaticContact CG-CD2 3.94Å; Y480-F484 HydrophobicContact CG-CD2 3.94Å; Y480-F484 AromaticContact CZ-CD2 3.92Å; Y480-F484 WeakPolarHBondContact O-CB 3.49Å; Y480-F484 WeakPolarHBondContact O-CD2 3.46Å; Y480-F484 PolarHBondContact O-N 3.3Å; F484-I551 HydrophobicContact CE1-CG2 4.49Å; F484-I669 HydrophobicContact CE1-CD1 4.2Å; F484-I669 HydrophobicContact CZ-CD1 4.08Å; F484-M703 HydrophobicContact CE2-CE 4.45Å; F484-Y736 VanDerWaalsContact CA-CD2 3.5Å; F484-Y736 HydrophobicContact CB-CD2 3.93Å; F484-Y736 HydrophobicContact CB-CG 3.88Å; F484-Y736 AromaticContact CD1-CD1 3.53Å; F484-Y736 HydrophobicContact CD1-CD1 3.53Å; F484-Y736 HydrophobicContact CD1-CD2 4.35Å; F484-Y736 HydrophobicContact CD1-CE1 4.06Å; F484-Y736 AromaticContact CD1-CG 3.68Å; F484-Y736 HydrophobicContact CD1-CG 3.68Å; F484-Y736 HydrophobicContact CE1-CD1 4.25Å; F484-Y736 HydrophobicContact CG-CD1 4.47Å; F484-Y736 HydrophobicContact CG-CG 4.2Å; F484-V739 HydrophobicContact CE1-CG2 4.02Å
485	P	95.4	Very high	93.4	Very high	29 Å²	29	73.1 Å²	73.1	19%	0.188	39%	0.39	C	S	.	.			trans	-63.6	155.9	175	28.3	-35.5	0	0	0	111.7	M483 L487 G552 E553 Y736	M483-P485 VanDerWaalsContact C-CD 3.46Å; P485-L487 HydrophobicContact CG-CD2 4.12Å; P485-L487 PolarHBondContact O-N 2.75Å; P485-L487 VanDerWaalsContact O-N 3.09Å; P485-G552 WeakPolarHBondContact CD-O 3.46Å; P485-G552 WeakPolarHBondContact CG-O 3.43Å; P485-E553 HydrophobicContact CG-CG 4.05Å; P485-Y736 HydrophobicContact CG-CE2 4.05Å; P485-Y736 VanDerWaalsContact O-CD2 3.25Å; P485-Y736 WeakPolarHBondContact O-CD2 3.31Å; P485-Y736 WeakPolarHBondContact O-CE2 3.4Å
486	D	94.9	Very high	93.4	Very high	55 Å²	55	72.5 Å²	72.5	29%	0.294	39%	0.386	S	S	.	.			trans	-77	97.1	177.5	-171.4	-11.1	0	0	0	111.1	Y488 Q489 P734	D486-Y488 PolarHBondContact O-N 2.88Å; D486-Y488 WeakPolarHBondContact OD1-CB 3.41Å; D486-Y488 PolarHBondContact OD1-N 2.92Å; D486-Q489 HydrophobicContact CB-CG 4.13Å; D486-Q489 PolarHBondContact O-N 2.8Å; D486-Q489 VanDerWaalsContact O-N 3.16Å; D486-P734 VanDerWaalsContact OD1-CG 3.24Å; D486-P734 WeakPolarHBondContact OD1-CG 3.35Å
487	L	96.3	Very high	93.6	Very high	4 Å²	4	75.2 Å²	75.2	2%	0.021	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-68.8	-15.5	-178.3	-57.3	-169.8	0	0	0	113.9	P485 M490 A501 G502 F663 Y736 P738	P485-L487 HydrophobicContact CG-CD2 4.12Å; P485-L487 PolarHBondContact O-N 2.75Å; P485-L487 VanDerWaalsContact O-N 3.09Å; L487-M490 HydrophobicContact CD2-SD 3.53Å; L487-M490 VanDerWaalsContact CD2-SD 3.53Å; L487-M490 PolarHBondContact O-N 2.67Å; L487-A501 HydrophobicContact CB-CB 4.15Å; L487-A501 PolarHBondContact O-N 2.95Å; L487-G502 PolarHBondContact O-N 3.41Å; L487-F663 HydrophobicContact CD1-CE1 3.91Å; L487-F663 HydrophobicContact CD1-CZ 3.82Å; L487-Y736 HydrophobicContact CD1-CD2 4.49Å; L487-Y736 HydrophobicContact CD1-CE2 3.91Å; L487-Y736 HydrophobicContact CD2-CE2 4Å; L487-Y736 HydrophobicContact CG-CD2 4.27Å; L487-Y736 HydrophobicContact CG-CE2 3.8Å; L487-P738 HydrophobicContact CD1-CG 3.32Å
488	Y	94.6	Very high	93.8	Very high	26 Å²	26	66.8 Å²	66.8	10%	0.102	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-77	-16.4	175.9	-68.9	-93.7	0	0	0	111.9	D486 M490 N500 Q503 P707 P734 I737	D486-Y488 PolarHBondContact O-N 2.88Å; D486-Y488 WeakPolarHBondContact OD1-CB 3.41Å; D486-Y488 PolarHBondContact OD1-N 2.92Å; Y488-M490 VanDerWaalsContact C-N 3.33Å; Y488-N500 WeakPolarHBondContact CD1-OD1 3.21Å; Y488-N500 WeakPolarHBondContact O-CB 3.26Å; Y488-N500 PolarHBondContact O-ND2 3.46Å; Y488-Q503 HydrophobicContact CD1-CG 4.36Å; Y488-Q503 HydrophobicContact CE1-CG 4.24Å; Y488-P707 HydrophobicContact CD1-CG 3.9Å; Y488-P707 HydrophobicContact CE1-CG 3.8Å; Y488-P707 HydrophobicContact CG-CG 4.43Å; Y488-P734 HydrophobicContact CD2-CB 3.59Å; Y488-P734 HydrophobicContact CD2-CG 3.33Å; Y488-P734 HydrophobicContact CE2-CB 3.59Å; Y488-P734 HydrophobicContact CE2-CG 3.91Å; Y488-P734 HydrophobicContact CG-CG 4.07Å; Y488-I737 HydrophobicContact CE2-CG2 4.27Å
489	Q	94.2	Very high	94	Very high	149 Å²	149	64.8 Å²	64.8	70%	0.696	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-88.1	0.6	172.5	-58.8	-58.2	-36.5	0	0	113.3	D486 P491	D486-Q489 HydrophobicContact CB-CG 4.13Å; D486-Q489 PolarHBondContact O-N 2.8Å; D486-Q489 VanDerWaalsContact O-N 3.16Å; Q489-P491 WeakPolarHBondContact O-CD 3.16Å
490	M	95.1	Very high	94.2	Very high	47 Å²	47	63.6 Å²	63.6	23%	0.232	34%	0.341	C	S	.	.	S	Bend	trans	-100.7	95.4	179.6	-64.3	-177.3	71.9	0	0	110.1	L487 Y488 N500 A501 E553 P554	L487-M490 HydrophobicContact CD2-SD 3.53Å; L487-M490 VanDerWaalsContact CD2-SD 3.53Å; L487-M490 PolarHBondContact O-N 2.67Å; Y488-M490 VanDerWaalsContact C-N 3.33Å; M490-N500 CarbonylContact O-C 3.51Å; M490-N500 WeakPolarHBondContact O-CA 3.45Å; M490-N500 WeakPolarHBondContact O-CB 3.17Å; M490-A501 HydrophobicContact CB-CB 4.09Å; M490-A501 PolarHBondContact O-N 3.19Å; M490-E553 HydrophobicContact CE-CB 4.01Å; M490-E553 HydrophobicContact CE-CG 3.88Å; M490-E553 HydrophobicContact SD-CB 4.48Å; M490-E553 HydrophobicContact SD-CG 4.01Å; M490-P554 HydrophobicContact CE-CG 4.41Å
491	P	96.3	Very high	94.4	Very high	111 Å²	111	62.3 Å²	62.3	72%	0.721	34%	0.336	S	S	*	.	B	Isolated β-bridge	trans	-62.9	147.9	-179.7	27.6	-35.3	0	0	0	111.2	Q489 E499	Q489-P491 WeakPolarHBondContact O-CD 3.16Å; P491-E499 WeakPolarHBondContact CA-O 3.2Å
492	L	95.6	Very high	94.5	Very high	33 Å²	33	59.5 Å²	59.5	17%	0.173	31%	0.312	C	S	.	.			trans	-113.7	158.3	175.4	-66.7	-178.8	0	0	0	111.9	F496 A498 E499 A501 Y504 F556	L492-F496 HydrophobicContact CB-CD2 4.44Å; L492-F496 HydrophobicContact CD1-CB 4.19Å; L492-A498 HydrophobicContact CD1-CB 4.32Å; L492-E499 PolarHBondContact N-O 2.84Å; L492-A501 HydrophobicContact CD2-CB 4.35Å; L492-Y504 HydrophobicContact CD1-CD2 4.42Å; L492-Y504 HydrophobicContact CD1-CG 4.32Å; L492-F556 HydrophobicContact CD1-CE1 3.69Å; L492-F556 HydrophobicContact CD1-CE2 4.3Å; L492-F556 HydrophobicContact CD1-CZ 3.57Å; L492-F556 HydrophobicContact CD2-CD1 4.4Å; L492-F556 HydrophobicContact CD2-CD2 3.81Å; L492-F556 HydrophobicContact CD2-CE1 4.08Å; L492-F556 HydrophobicContact CD2-CE2 3.42Å; L492-F556 VanDerWaalsContact CD2-CE2 3.42Å; L492-F556 HydrophobicContact CD2-CG 4.29Å; L492-F556 HydrophobicContact CD2-CZ 3.6Å; L492-F556 HydrophobicContact CG-CE2 4.47Å; L492-F556 HydrophobicContact CG-CZ 4.21Å
493	D	91.7	Very high	94.6	Very high	103 Å²	103	57.8 Å²	57.8	55%	0.551	30%	0.297	S	S	*	.			trans	-63	143.8	165.8	-170.2	-86.4	0	0	0	110.5	S495 F496	D493-S495 PolarHBondContact O-N 2.87Å; D493-S495 WeakPolarHBondContact OD1-CB 3.36Å; D493-S495 PolarHBondContact OD1-N 3.31Å; D493-S495 PolarHBondContact OD1-OG 3.1Å; D493-S495 VanDerWaalsContact OD1-OG 3.08Å; D493-F496 HydrophobicContact CB-CD2 4.18Å; D493-F496 HydrophobicContact CB-CE2 4.32Å; D493-F496 PolarHBondContact O-N 2.93Å; D493-F496 VanDerWaalsContact O-N 3.12Å
494	K	89.4	Confident	94.7	Very high	195 Å²	195	56 Å²	56	85%	0.848	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-56.2	-23.2	179.1	-68.6	-175.6	177.2	-179	0	112.7	F496 D497	K494-F496 PolarHBondContact O-N 2.87Å; K494-D497 PolarHBondContact O-N 2.87Å; K494-D497 VanDerWaalsContact O-N 3.15Å
495	S	90.9	Very high	94.7	Very high	65 Å²	65	55.3 Å²	55.3	46%	0.455	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-59.1	-26.4	177.6	69.3	0	0	0	0	114.1	D493 D497 R576	D493-S495 PolarHBondContact O-N 2.87Å; D493-S495 WeakPolarHBondContact OD1-CB 3.36Å; D493-S495 PolarHBondContact OD1-N 3.31Å; D493-S495 PolarHBondContact OD1-OG 3.1Å; D493-S495 VanDerWaalsContact OD1-OG 3.08Å; S495-D497 VanDerWaalsContact C-N 3.26Å; S495-D497 PolarHBondContact O-N 2.79Å; S495-R576 PolarHBondContact O-NH2 3.28Å
496	F	93.7	Very high	94.8	Very high	23 Å²	23	56.8 Å²	56.8	10%	0.101	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-83.5	0.4	-179.7	-66.7	-76.1	0	0	0	113.9	L492 D493 K494 A498 Y504 F556 W557 D659	L492-F496 HydrophobicContact CB-CD2 4.44Å; L492-F496 HydrophobicContact CD1-CB 4.19Å; D493-F496 HydrophobicContact CB-CD2 4.18Å; D493-F496 HydrophobicContact CB-CE2 4.32Å; D493-F496 PolarHBondContact O-N 2.93Å; D493-F496 VanDerWaalsContact O-N 3.12Å; K494-F496 PolarHBondContact O-N 2.87Å; F496-A498 PolarHBondContact O-N 3.07Å; F496-Y504 HydrophobicContact CB-CD2 4.06Å; F496-Y504 HydrophobicContact CB-CE2 4.17Å; F496-Y504 HydrophobicContact CD1-CE2 4.23Å; F496-F556 AromaticContact CD1-CD1 3.75Å; F496-F556 HydrophobicContact CD1-CD1 3.75Å; F496-F556 HydrophobicContact CD1-CE1 4.37Å; F496-F556 HydrophobicContact CE1-CB 3.96Å; F496-F556 AromaticContact CE1-CD1 3.68Å; F496-F556 HydrophobicContact CE1-CD1 3.68Å; F496-F556 HydrophobicContact CE1-CG 4.26Å; F496-F556 HydrophobicContact CE2-CB 4.31Å; F496-F556 HydrophobicContact CE2-CD1 4.48Å; F496-F556 HydrophobicContact CG-CD1 4.18Å; F496-F556 HydrophobicContact CZ-CB 3.68Å; F496-F556 HydrophobicContact CZ-CD1 4.08Å; F496-F556 HydrophobicContact CZ-CG 4.24Å; F496-W557 WeakPolarHBondContact CE1-O 3.29Å; F496-D659 HydrophobicContact CD1-CB 3.89Å; F496-D659 HydrophobicContact CE1-CB 3.83Å
497	D	92.4	Very high	94.8	Very high	86 Å²	86	58.3 Å²	58.3	46%	0.46	29%	0.294	S	S	.	.	S	Bend	trans	54.8	33.4	-177.3	-172.4	53.6	0	0	0	112.9	K494 S495 R507	K494-D497 PolarHBondContact O-N 2.87Å; K494-D497 VanDerWaalsContact O-N 3.15Å; S495-D497 VanDerWaalsContact C-N 3.26Å; S495-D497 PolarHBondContact O-N 2.79Å; D497-R507 PolarHBondContact O-NH1 3.31Å; D497-R507 PolarHBondContact O-NH2 3.44Å; D497-R507 IonicContact OD2-CZ 2.63Å; D497-R507 VanDerWaalsContact OD2-CZ 3.32Å; D497-R507 IonicContact OD2-NH1 2.63Å; D497-R507 PolarHBondContact OD2-NH1 2.71Å; D497-R507 IonicContact OD2-NH2 2.61Å; D497-R507 PolarHBondContact OD2-NH2 2.84Å
498	A	94.4	Very high	94.8	Very high	13 Å²	13	58.2 Å²	58.2	11%	0.107	29%	0.293	C	S	.	.	S	Bend	trans	-148	147.5	175.4	0	0	0	0	0	109.6	L492 F496 N500 Q503 Y504	L492-A498 HydrophobicContact CD1-CB 4.32Å; F496-A498 PolarHBondContact O-N 3.07Å; A498-N500 VanDerWaalsContact C-N 3.34Å; A498-Q503 HydrophobicContact CB-CB 4.33Å; A498-Y504 HydrophobicContact CB-CD2 4.23Å
499	E	94.4	Very high	94.9	Very high	141 Å²	141	60.1 Å²	60.1	66%	0.659	30%	0.301	S	S	*	.	S	Bend	trans	-74.6	-30.1	-178.4	-55.8	173.5	156.9	0	0	111.6	P491 L492 Q503	P491-E499 WeakPolarHBondContact CA-O 3.2Å; L492-E499 PolarHBondContact N-O 2.84Å; E499-Q503 PolarHBondContact OE2-NE2 2.86Å
500	N	96.2	Very high	94.9	Very high	18 Å²	18	56.6 Å²	56.6	10%	0.096	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-150.8	166.7	-178.1	57	66.2	0	0	0	112.6	Y488 M490 A498 G502 Q503 Y504	Y488-N500 WeakPolarHBondContact CD1-OD1 3.21Å; Y488-N500 WeakPolarHBondContact O-CB 3.26Å; Y488-N500 PolarHBondContact O-ND2 3.46Å; M490-N500 CarbonylContact O-C 3.51Å; M490-N500 WeakPolarHBondContact O-CA 3.45Å; M490-N500 WeakPolarHBondContact O-CB 3.17Å; A498-N500 VanDerWaalsContact C-N 3.34Å; N500-G502 VanDerWaalsContact C-N 3.29Å; N500-G502 PolarHBondContact O-N 3.29Å; N500-G502 PolarHBondContact OD1-N 2.76Å; N500-Q503 PolarHBondContact O-N 3.3Å; N500-Q503 WeakPolarHBondContact OD1-CG 3.17Å; N500-Q503 PolarHBondContact OD1-N 2.8Å; N500-Y504 PolarHBondContact O-N 3.34Å; N500-Y504 VanDerWaalsContact O-N 3.08Å
501	A	97.3	Very high	94.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-36.6	-178.1	0	0	0	0	0	113.1	L487 M490 L492 Y504 V505 P554 F556	L487-A501 HydrophobicContact CB-CB 4.15Å; L487-A501 PolarHBondContact O-N 2.95Å; M490-A501 HydrophobicContact CB-CB 4.09Å; M490-A501 PolarHBondContact O-N 3.19Å; L492-A501 HydrophobicContact CD2-CB 4.35Å; A501-Y504 PolarHBondContact O-N 2.91Å; A501-V505 WeakPolarHBondContact O-CG2 3.27Å; A501-V505 PolarHBondContact O-N 2.81Å; A501-P554 HydrophobicContact CB-CG 3.97Å; A501-F556 HydrophobicContact CB-CE2 3.92Å; A501-F556 HydrophobicContact CB-CZ 3.94Å
502	G	96.4	Very high	94.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-48.7	176.1	0	0	0	0	0	112.6	L487 N500 V505 N506	L487-G502 PolarHBondContact O-N 3.41Å; N500-G502 VanDerWaalsContact C-N 3.29Å; N500-G502 PolarHBondContact O-N 3.29Å; N500-G502 PolarHBondContact OD1-N 2.76Å; G502-V505 PolarHBondContact O-N 3.1Å; G502-N506 VanDerWaalsContact O-CB 3.24Å; G502-N506 WeakPolarHBondContact O-CB 3.45Å; G502-N506 PolarHBondContact O-N 2.95Å
503	Q	95.2	Very high	94.8	Very high	64 Å²	64	50.9 Å²	50.9	30%	0.299	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-42.2	175.8	-75.5	177.5	2	0	0	112.1	Y488 A498 E499 N500 N506 R507	Y488-Q503 HydrophobicContact CD1-CG 4.36Å; Y488-Q503 HydrophobicContact CE1-CG 4.24Å; A498-Q503 HydrophobicContact CB-CB 4.33Å; E499-Q503 PolarHBondContact OE2-NE2 2.86Å; N500-Q503 PolarHBondContact O-N 3.3Å; N500-Q503 WeakPolarHBondContact OD1-CG 3.17Å; N500-Q503 PolarHBondContact OD1-N 2.8Å; Q503-N506 PolarHBondContact O-N 3.02Å; Q503-R507 PolarHBondContact O-N 3.26Å
504	Y	97.4	Very high	95	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-53.7	176.9	-176.3	-86	0	0	0	111.3	L492 F496 A498 N500 A501 N506 R507 F556 R576 D659 G660	L492-Y504 HydrophobicContact CD1-CD2 4.42Å; L492-Y504 HydrophobicContact CD1-CG 4.32Å; F496-Y504 HydrophobicContact CB-CD2 4.06Å; F496-Y504 HydrophobicContact CB-CE2 4.17Å; F496-Y504 HydrophobicContact CD1-CE2 4.23Å; A498-Y504 HydrophobicContact CB-CD2 4.23Å; N500-Y504 PolarHBondContact O-N 3.34Å; N500-Y504 VanDerWaalsContact O-N 3.08Å; A501-Y504 PolarHBondContact O-N 2.91Å; Y504-N506 PolarHBondContact O-N 3.44Å; Y504-R507 WeakPolarHBondContact O-CB 3.32Å; Y504-R507 PolarHBondContact O-N 2.95Å; Y504-F556 AromaticContact CD1-CE1 3.67Å; Y504-F556 HydrophobicContact CD1-CE1 3.67Å; Y504-F556 HydrophobicContact CD1-CZ 4.18Å; Y504-F556 HydrophobicContact CD2-CE1 4.08Å; Y504-F556 AromaticContact CE1-CE1 3.99Å; Y504-F556 HydrophobicContact CE1-CE1 3.99Å; Y504-F556 HydrophobicContact CE2-CE1 4.35Å; Y504-F556 AromaticContact CG-CE1 3.74Å; Y504-F556 HydrophobicContact CG-CE1 3.74Å; Y504-F556 HydrophobicContact CG-CZ 4.26Å; Y504-R576 WeakPolarHBondContact OH-CB 3.3Å; Y504-D659 VanDerWaalsContact CE2-OD1 3.28Å; Y504-D659 WeakPolarHBondContact CE2-OD1 3.33Å; Y504-D659 PolarHBondContact OH-OD1 3.31Å; Y504-G660 WeakPolarHBondContact OH-CA 3.45Å; Y504-G660 PolarHBondContact OH-N 3.34Å
505	V	97.6	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-36.8	-178.2	175.3	0	0	0	0	111.8	A501 G502 R507 S508 F574 F663 I737 P738	A501-V505 WeakPolarHBondContact O-CG2 3.27Å; A501-V505 PolarHBondContact O-N 2.81Å; G502-V505 PolarHBondContact O-N 3.1Å; V505-R507 PolarHBondContact O-N 3.09Å; V505-R507 VanDerWaalsContact O-N 3.11Å; V505-S508 WeakPolarHBondContact O-CB 3.34Å; V505-S508 PolarHBondContact O-N 2.67Å; V505-S508 PolarHBondContact O-OG 3.18Å; V505-F574 HydrophobicContact CG1-CD1 3.96Å; V505-F574 HydrophobicContact CG1-CD2 4.47Å; V505-F574 HydrophobicContact CG1-CE1 3.65Å; V505-F574 HydrophobicContact CG1-CE2 4.23Å; V505-F574 HydrophobicContact CG1-CG 4.36Å; V505-F574 HydrophobicContact CG1-CZ 3.82Å; V505-F574 HydrophobicContact CG2-CD2 4.41Å; V505-F663 HydrophobicContact CG2-CE2 4.27Å; V505-F663 HydrophobicContact CG2-CZ 4.24Å; V505-I737 HydrophobicContact CB-CG2 4.09Å; V505-I737 HydrophobicContact CG1-CG2 4.06Å; V505-P738 HydrophobicContact CG1-CB 4.14Å; V505-P738 HydrophobicContact CG1-CG 3.98Å; V505-P738 HydrophobicContact CG2-CG 4.48Å
506	N	95.9	Very high	95.7	Very high	60 Å²	60	35.4 Å²	35.4	32%	0.321	18%	0.183	S	C	.	.	H	α-helix	trans	-57.1	-27.7	179.1	-171.1	22.1	0	0	0	112.9	G502 Q503 Y504 S508 Y509 I737	G502-N506 VanDerWaalsContact O-CB 3.24Å; G502-N506 WeakPolarHBondContact O-CB 3.45Å; G502-N506 PolarHBondContact O-N 2.95Å; Q503-N506 PolarHBondContact O-N 3.02Å; Y504-N506 PolarHBondContact O-N 3.44Å; N506-S508 PolarHBondContact O-N 3.09Å; N506-S508 VanDerWaalsContact O-N 3.11Å; N506-Y509 WeakPolarHBondContact O-CB 3.25Å; N506-Y509 PolarHBondContact O-N 3.32Å; N506-I737 HydrophobicContact CB-CG1 4.03Å
507	R	95.6	Very high	95.9	Very high	86 Å²	86	34.3 Å²	34.3	33%	0.325	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.3	174.3	-66.8	169.6	172.8	-152.1	-13	113.5	D497 Q503 Y504 V505 R510 T637	D497-R507 PolarHBondContact O-NH1 3.31Å; D497-R507 PolarHBondContact O-NH2 3.44Å; D497-R507 IonicContact OD2-CZ 2.63Å; D497-R507 VanDerWaalsContact OD2-CZ 3.32Å; D497-R507 IonicContact OD2-NH1 2.63Å; D497-R507 PolarHBondContact OD2-NH1 2.71Å; D497-R507 IonicContact OD2-NH2 2.61Å; D497-R507 PolarHBondContact OD2-NH2 2.84Å; Q503-R507 PolarHBondContact O-N 3.26Å; Y504-R507 WeakPolarHBondContact O-CB 3.32Å; Y504-R507 PolarHBondContact O-N 2.95Å; V505-R507 PolarHBondContact O-N 3.09Å; V505-R507 VanDerWaalsContact O-N 3.11Å; R507-R510 PolarHBondContact O-NH1 3.22Å; R507-R510 PolarHBondContact O-NH2 3.16Å; R507-T637 HydrophobicContact CB-CG2 4.25Å
508	S	96.9	Very high	95.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-17.8	173.5	72.1	0	0	0	0	114.6	V505 N506 R510 F574 T637 S741	V505-S508 WeakPolarHBondContact O-CB 3.34Å; V505-S508 PolarHBondContact O-N 2.67Å; V505-S508 PolarHBondContact O-OG 3.18Å; N506-S508 PolarHBondContact O-N 3.09Å; N506-S508 VanDerWaalsContact O-N 3.11Å; S508-R510 PolarHBondContact O-N 3.36Å; S508-F574 VanDerWaalsContact OG-CD1 3.28Å; S508-F574 WeakPolarHBondContact OG-CD1 3.38Å; S508-F574 WeakPolarHBondContact OG-CE1 3.47Å; S508-T637 WeakPolarHBondContact CA-O 3.41Å; S508-S741 PolarHBondContact O-OG 3.35Å; S508-S741 PolarHBondContact OG-OG 2.95Å
509	Y	96.4	Very high	95.8	Very high	66 Å²	66	36.8 Å²	36.8	26%	0.259	19%	0.187	S	C	.	.			trans	-71.6	126.9	-173.7	-179.9	-124.2	0	0	0	111.3	N506 A704 I737 T744	N506-Y509 WeakPolarHBondContact O-CB 3.25Å; N506-Y509 PolarHBondContact O-N 3.32Å; Y509-A704 HydrophobicContact CD2-CB 4.48Å; Y509-A704 HydrophobicContact CE1-CB 3.92Å; Y509-A704 HydrophobicContact CE2-CB 3.75Å; Y509-A704 VanDerWaalsContact CZ-CB 3.43Å; Y509-A704 WeakPolarHBondContact OH-CB 3.21Å; Y509-I737 HydrophobicContact CD1-CD1 4.11Å; Y509-I737 HydrophobicContact CD2-CD1 4.33Å; Y509-I737 HydrophobicContact CG-CD1 3.88Å; Y509-T744 HydrophobicContact CE2-CG2 3.74Å
510	R	94.6	Very high	95.9	Very high	76 Å²	76	30.2 Å²	30.2	29%	0.287	16%	0.156	S	C	.	.			trans	-139.7	155.2	178.1	-62.6	-67.1	-178.5	-76.2	-7.6	109	R507 S508 T744 R748	R507-R510 PolarHBondContact O-NH1 3.22Å; R507-R510 PolarHBondContact O-NH2 3.16Å; S508-R510 PolarHBondContact O-N 3.36Å; R510-T744 WeakPolarHBondContact O-CB 3.5Å; R510-T744 PolarHBondContact O-OG1 3.43Å; R510-R748 VanDerWaalsContact C-NH1 3.32Å; R510-R748 PolarHBondContact O-NH1 3.33Å
511	G	93	Very high	95.8	Very high	38 Å²	38	32.9 Å²	32.9	39%	0.392	17%	0.168	S	C	.	.			trans	-77.5	-158.9	178.1	0	0	0	0	0	113.6	R748	G511-R748 WeakPolarHBondContact O-CD 3.43Å; G511-R748 PolarHBondContact O-NH1 3.45Å
512	G	93.7	Very high	95.7	Very high	31 Å²	31	37.6 Å²	37.6	32%	0.32	19%	0.189	S	C	.	.			trans	-63.3	155.6	170.1	0	0	0	0	0	112.7
513	W	97	Very high	95.6	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.207	C	C	.	.			trans	-86.8	119.4	174.7	178.9	69.4	0	0	0	109	Y515 L588 P589 M604 R748 T751 I752 A755 F767 A770 T772	W513-Y515 HydrophobicContact CH2-CD1 4Å; W513-Y515 AromaticContact CZ2-CD1 3.48Å; W513-Y515 HydrophobicContact CZ2-CD1 3.48Å; W513-Y515 VanDerWaalsContact CZ2-CD1 3.48Å; W513-Y515 HydrophobicContact CZ2-CE1 4.49Å; W513-Y515 AromaticContact CZ2-CG 3.76Å; W513-Y515 HydrophobicContact CZ2-CG 3.76Å; W513-L588 HydrophobicContact CH2-CD1 4Å; W513-L588 HydrophobicContact CZ2-CB 4.25Å; W513-P589 PolarHBondContact NE1-O 2.81Å; W513-M604 HydrophobicContact CG-CE 4.45Å; W513-R748 HydrophobicContact CB-CG 4.03Å; W513-T751 HydrophobicContact CE3-CG2 4.19Å; W513-I752 HydrophobicContact CB-CD1 4.22Å; W513-I752 HydrophobicContact CB-CG1 4.24Å; W513-I752 HydrophobicContact CD2-CD1 4.03Å; W513-I752 HydrophobicContact CD2-CG1 3.39Å; W513-I752 HydrophobicContact CE3-CB 4.47Å; W513-I752 HydrophobicContact CE3-CG1 3.49Å; W513-I752 VanDerWaalsContact CE3-CG1 3.49Å; W513-I752 HydrophobicContact CG-CD1 3.87Å; W513-I752 HydrophobicContact CG-CG1 3.76Å; W513-I752 HydrophobicContact CH2-CG1 4.36Å; W513-I752 HydrophobicContact CZ2-CG1 4.27Å; W513-I752 HydrophobicContact CZ3-CG1 3.98Å; W513-A755 HydrophobicContact CH2-CB 3.82Å; W513-A755 HydrophobicContact CZ3-CB 3.65Å; W513-F767 AromaticContact CH2-CE1 3.98Å; W513-F767 HydrophobicContact CH2-CE1 3.98Å; W513-F767 HydrophobicContact CH2-CE2 4.39Å; W513-F767 AromaticContact CH2-CZ 3.61Å; W513-F767 HydrophobicContact CH2-CZ 3.61Å; W513-F767 HydrophobicContact CZ3-CE2 4.37Å; W513-F767 AromaticContact CZ3-CZ 3.93Å; W513-F767 HydrophobicContact CZ3-CZ 3.93Å; W513-A770 HydrophobicContact CE3-CB 3.7Å; W513-A770 HydrophobicContact CH2-CB 4.32Å; W513-A770 HydrophobicContact CZ3-CB 3.46Å; W513-A770 VanDerWaalsContact CZ3-CB 3.46Å; W513-T772 PolarHBondContact O-N 2.94Å
514	C	97.1	Very high	95.6	Very high	12 Å²	12	41.2 Å²	41.2	8%	0.081	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117	177.7	-178.7	0	0	0	0	108	M604 Y769 A770 Q811	C514-M604 VanDerWaalsContact O-CE 3.29Å; C514-M604 WeakPolarHBondContact O-CE 3.3Å; C514-Y769 PolarHBondContact SG-OH 2.79Å; C514-A770 CarbonylContact C-O 3.58Å; C514-A770 VanDerWaalsContact CA-O 3.25Å; C514-A770 WeakPolarHBondContact CA-O 3.35Å; C514-Q811 PolarHBondContact O-NE2 3.3Å; C514-Q811 VanDerWaalsContact O-NE2 3.1Å
515	Y	97.6	Very high	95.6	Very high	15 Å²	15	42.2 Å²	42.2	6%	0.059	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	130.9	-171.6	-177.7	-115.9	0	0	0	111.6	W513 A517 R518 L588 P589 M604 F767 Y769 A770	W513-Y515 HydrophobicContact CH2-CD1 4Å; W513-Y515 AromaticContact CZ2-CD1 3.48Å; W513-Y515 HydrophobicContact CZ2-CD1 3.48Å; W513-Y515 VanDerWaalsContact CZ2-CD1 3.48Å; W513-Y515 HydrophobicContact CZ2-CE1 4.49Å; W513-Y515 AromaticContact CZ2-CG 3.76Å; W513-Y515 HydrophobicContact CZ2-CG 3.76Å; Y515-A517 HydrophobicContact CE1-CB 4.28Å; Y515-R518 PolarHBondContact OH-N 3.13Å; Y515-L588 HydrophobicContact CD1-CD2 4.38Å; Y515-L588 HydrophobicContact CE1-CD2 3.86Å; Y515-P589 HydrophobicContact CD2-CG 4.36Å; Y515-P589 HydrophobicContact CE1-CG 4.05Å; Y515-P589 HydrophobicContact CE2-CG 3.57Å; Y515-P589 WeakPolarHBondContact OH-CD 3.38Å; Y515-P589 WeakPolarHBondContact OH-CG 3.35Å; Y515-M604 HydrophobicContact CD2-CB 3.65Å; Y515-M604 HydrophobicContact CD2-CG 3.6Å; Y515-M604 HydrophobicContact CE2-CB 3.91Å; Y515-M604 HydrophobicContact CE2-CG 4.37Å; Y515-M604 HydrophobicContact CG-CG 4.25Å; Y515-F767 AromaticContact CD1-CE1 3.96Å; Y515-F767 HydrophobicContact CD1-CE1 3.96Å; Y515-F767 HydrophobicContact CE1-CE1 4.42Å; Y515-Y769 CarbonylContact O-C 3.56Å; Y515-Y769 VanDerWaalsContact O-CA 3.32Å; Y515-Y769 WeakPolarHBondContact O-CA 3.24Å; Y515-Y769 VanDerWaalsContact O-CD2 3.23Å; Y515-Y769 WeakPolarHBondContact O-CD2 3.3Å; Y515-A770 PolarHBondContact N-O 3.1Å; Y515-A770 PolarHBondContact O-N 3.37Å
516	L	97.3	Very high	95.6	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.063	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.4	166.9	176.7	55	0	0	0	106.8	R518 E521 I768 Y769 F808	L516-R518 PolarHBondContact O-N 2.91Å; L516-E521 HydrophobicContact CD2-CB 4.23Å; L516-E521 HydrophobicContact CD2-CG 3.62Å; L516-E521 HydrophobicContact CG-CG 3.95Å; L516-I768 HydrophobicContact CD1-CG2 3.91Å; L516-Y769 HydrophobicContact CB-CD2 3.97Å; L516-Y769 HydrophobicContact CD1-CD2 4.41Å; L516-F808 HydrophobicContact CD1-CB 3.67Å; L516-F808 HydrophobicContact CD1-CD1 4.47Å; L516-F808 HydrophobicContact CD1-CG 4.3Å; L516-F808 HydrophobicContact CD2-CB 4.21Å
517	A	96.7	Very high	95.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.3	128.5	-175.9	0	0	0	0	0	110.9	Y515 G519 K520 Y759 F767 I768	Y515-A517 HydrophobicContact CE1-CB 4.28Å; A517-G519 PolarHBondContact O-N 3.47Å; A517-K520 HydrophobicContact CB-CB 4.35Å; A517-K520 HydrophobicContact CB-CD 4.23Å; A517-K520 HydrophobicContact CB-CG 4.26Å; A517-K520 WeakPolarHBondContact O-CB 3.14Å; A517-K520 PolarHBondContact O-N 2.88Å; A517-Y759 HydrophobicContact CB-CE2 4.31Å; A517-F767 HydrophobicContact CB-CD1 4.18Å; A517-F767 HydrophobicContact CB-CE1 4.26Å; A517-I768 WeakPolarHBondContact CB-O 3.36Å; A517-I768 PolarHBondContact N-O 3.08Å
518	R	93.3	Very high	95.7	Very high	125 Å²	125	45.5 Å²	45.5	47%	0.472	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	133.9	179.3	-168.3	175.3	-172	174.9	4.2	110.9	Y515 L516 K520 E521 E606 P762	Y515-R518 PolarHBondContact OH-N 3.13Å; L516-R518 PolarHBondContact O-N 2.91Å; R518-K520 VanDerWaalsContact C-N 3.3Å; R518-E521 WeakPolarHBondContact CA-OE1 3.4Å; R518-E606 VanDerWaalsContact CD-OE1 3.22Å; R518-E606 WeakPolarHBondContact CD-OE1 3.34Å; R518-E606 IonicContact CZ-OE2 3.28Å; R518-E606 IonicContact NH1-OE1 2.76Å; R518-E606 IonicContact NH1-OE2 2.68Å; R518-E606 PolarHBondContact NH1-OE2 2.84Å; R518-P762 WeakPolarHBondContact O-CB 3.38Å
519	G	93	Very high	95.8	Very high	26 Å²	26	45.5 Å²	45.5	27%	0.268	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-3	-174.7	0	0	0	0	0	113.9	A517 E521 K523	A517-G519 PolarHBondContact O-N 3.47Å; G519-E521 WeakPolarHBondContact CA-OE2 3.48Å; G519-E521 PolarHBondContact N-OE2 2.96Å; G519-K523 WeakPolarHBondContact O-CD 3.39Å; G519-K523 WeakPolarHBondContact O-CE 3.48Å; G519-K523 PolarHBondContact O-NZ 2.67Å
520	K	95.3	Very high	95.8	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	22%	0.22	C	C	.	.			trans	-105.3	-0.4	174.4	-65.6	-158.9	169.3	-167.1	0	113.4	A517 R518 F525 K764 G766 F767 I768 D778	A517-K520 HydrophobicContact CB-CB 4.35Å; A517-K520 HydrophobicContact CB-CD 4.23Å; A517-K520 HydrophobicContact CB-CG 4.26Å; A517-K520 WeakPolarHBondContact O-CB 3.14Å; A517-K520 PolarHBondContact O-N 2.88Å; R518-K520 VanDerWaalsContact C-N 3.3Å; K520-F525 HydrophobicContact CB-CE2 4.19Å; K520-F525 HydrophobicContact CB-CZ 3.6Å; K520-F525 HydrophobicContact CD-CE1 4.03Å; K520-F525 HydrophobicContact CD-CZ 3.9Å; K520-F525 HydrophobicContact CG-CE1 4.3Å; K520-F525 HydrophobicContact CG-CZ 3.83Å; K520-F525 VanDerWaalsContact O-CE2 3.29Å; K520-F525 WeakPolarHBondContact O-CE2 3.32Å; K520-K764 WeakPolarHBondContact CE-O 3.15Å; K520-K764 PolarHBondContact NZ-O 3.18Å; K520-K764 VanDerWaalsContact NZ-O 3.14Å; K520-G766 PolarHBondContact NZ-O 3.07Å; K520-F767 WeakPolarHBondContact CD-O 3.49Å; K520-F767 VanDerWaalsContact CE-O 3.31Å; K520-F767 WeakPolarHBondContact CE-O 3.48Å; K520-F767 PolarHBondContact NZ-O 3.46Å; K520-I768 HydrophobicContact CB-CG2 4.27Å; K520-I768 HydrophobicContact CD-CB 4.19Å; K520-I768 HydrophobicContact CD-CG1 3.86Å; K520-I768 HydrophobicContact CD-CG2 4.25Å; K520-D778 IonicContact NZ-OD1 3.88Å; K520-D778 PolarHBondContact NZ-OD1 2.94Å
521	E	94.7	Very high	96	Very high	75 Å²	75	38.8 Å²	38.8	35%	0.35	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	140.3	174.8	-53.9	88.5	160.8	0	0	111.6	L516 R518 G519 K523	L516-E521 HydrophobicContact CD2-CB 4.23Å; L516-E521 HydrophobicContact CD2-CG 3.62Å; L516-E521 HydrophobicContact CG-CG 3.95Å; R518-E521 WeakPolarHBondContact CA-OE1 3.4Å; G519-E521 WeakPolarHBondContact CA-OE2 3.48Å; G519-E521 PolarHBondContact N-OE2 2.96Å; E521-K523 PolarHBondContact O-N 3.32Å
522	Q	94.6	Very high	96.2	Very high	98 Å²	98	38.8 Å²	38.8	46%	0.458	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	41.2	174	-57.1	-178.6	33	0	0	113.4	W807 F808 T887	Q522-W807 HydrophobicContact CB-CH2 3.91Å; Q522-W807 HydrophobicContact CB-CZ2 3.86Å; Q522-W807 HydrophobicContact CG-CZ2 4.31Å; Q522-W807 WeakPolarHBondContact O-CH2 3.3Å; Q522-W807 WeakPolarHBondContact O-CZ3 3.36Å; Q522-F808 PolarHBondContact N-O 3.43Å; Q522-T887 PolarHBondContact OE1-OG1 2.85Å
523	K	94.9	Very high	96.3	Very high	85 Å²	85	37.3 Å²	37.3	37%	0.37	18%	0.182	S	C	.	.			trans	-120.1	146.1	171.6	-70.1	-179.6	179.3	176.8	0	109.3	G519 E521 F525 D763 W807	G519-K523 WeakPolarHBondContact O-CD 3.39Å; G519-K523 WeakPolarHBondContact O-CE 3.48Å; G519-K523 PolarHBondContact O-NZ 2.67Å; E521-K523 PolarHBondContact O-N 3.32Å; K523-F525 HydrophobicContact CB-CD2 4.44Å; K523-F525 HydrophobicContact CB-CE2 3.67Å; K523-F525 HydrophobicContact CB-CZ 3.72Å; K523-F525 HydrophobicContact CD-CZ 4.36Å; K523-F525 VanDerWaalsContact O-CD2 3.31Å; K523-F525 WeakPolarHBondContact O-CD2 3.2Å; K523-F525 WeakPolarHBondContact O-CE2 3.06Å; K523-D763 IonicContact NZ-OD1 2.97Å; K523-W807 VanDerWaalsContact C-CE3 3.43Å; K523-W807 VanDerWaalsContact C-CZ3 3.47Å
524	L	96.1	Very high	96.2	Very high	56 Å²	56	38 Å²	38	29%	0.293	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.9	172.3	-172.2	66.5	0	0	0	108.3	E805 W807	L524-E805 HydrophobicContact CD1-CB 4.29Å; L524-W807 HydrophobicContact CB-CE3 4.31Å
525	F	97.3	Very high	95.9	Very high	21 Å²	21	38.5 Å²	38.5	9%	0.092	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	157.1	176.1	-63.5	-83.4	0	0	0	110.2	K520 K523 I768 D778 W803 E805 G806 F808	K520-F525 HydrophobicContact CB-CE2 4.19Å; K520-F525 HydrophobicContact CB-CZ 3.6Å; K520-F525 HydrophobicContact CD-CE1 4.03Å; K520-F525 HydrophobicContact CD-CZ 3.9Å; K520-F525 HydrophobicContact CG-CE1 4.3Å; K520-F525 HydrophobicContact CG-CZ 3.83Å; K520-F525 VanDerWaalsContact O-CE2 3.29Å; K520-F525 WeakPolarHBondContact O-CE2 3.32Å; K523-F525 HydrophobicContact CB-CD2 4.44Å; K523-F525 HydrophobicContact CB-CE2 3.67Å; K523-F525 HydrophobicContact CB-CZ 3.72Å; K523-F525 HydrophobicContact CD-CZ 4.36Å; K523-F525 VanDerWaalsContact O-CD2 3.31Å; K523-F525 WeakPolarHBondContact O-CD2 3.2Å; K523-F525 WeakPolarHBondContact O-CE2 3.06Å; F525-I768 HydrophobicContact CB-CD1 3.96Å; F525-I768 HydrophobicContact CD1-CD1 3.89Å; F525-I768 HydrophobicContact CD2-CD1 3.9Å; F525-I768 HydrophobicContact CE1-CD1 4.39Å; F525-I768 HydrophobicContact CE2-CD1 4.39Å; F525-I768 HydrophobicContact CE2-CG2 4.26Å; F525-I768 HydrophobicContact CG-CD1 3.62Å; F525-D778 HydrophobicContact CB-CB 4.24Å; F525-D778 HydrophobicContact CD1-CB 4.22Å; F525-D778 WeakPolarHBondContact CD1-OD2 3.27Å; F525-W803 HydrophobicContact CB-CH2 3.86Å; F525-W803 HydrophobicContact CB-CZ3 3.88Å; F525-E805 CarbonylContact O-C 3.55Å; F525-E805 WeakPolarHBondContact O-CA 3.23Å; F525-G806 PolarHBondContact N-O 3.1Å; F525-G806 PolarHBondContact O-N 3.28Å; F525-F808 AromaticContact CD2-CD2 3.97Å; F525-F808 HydrophobicContact CD2-CD2 3.97Å; F525-F808 HydrophobicContact CD2-CE2 4.33Å; F525-F808 HydrophobicContact CE2-CD2 4.37Å
526	H	97.3	Very high	95.9	Very high	92 Å²	92	38 Å²	38	43%	0.426	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.9	-178.9	-61.9	-71.3	0	0	0	112.1	G528 D804	H526-G528 PolarHBondContact O-N 3.06Å; H526-D804 WeakPolarHBondContact CA-O 3.43Å; H526-D804 WeakPolarHBondContact CB-O 3.37Å; H526-D804 PolarHBondContact ND1-O 3.11Å
527	N	94.9	Very high	95.9	Very high	122 Å²	122	38.8 Å²	38.8	65%	0.652	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	54.3	50.6	173.7	-53	-55.5	0	0	0	113.4	L779 W803 D804	N527-L779 CarbonylContact O-C 3.5Å; N527-W803 CarbonylContact C-O 3.55Å; N527-W803 WeakPolarHBondContact CA-O 3.12Å; N527-W803 PolarHBondContact N-O 2.63Å; N527-D804 PolarHBondContact N-O 3.17Å
528	G	97.8	Very high	95.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	166	-177.3	0	0	0	0	0	114.8	H526 C777 T802 W803	H526-G528 PolarHBondContact O-N 3.06Å; G528-C777 CarbonylContact C-O 3.59Å; G528-C777 WeakPolarHBondContact CA-O 3.36Å; G528-T802 CarbonylContact O-C 3.59Å; G528-T802 VanDerWaalsContact O-CA 3.32Å; G528-T802 WeakPolarHBondContact O-CA 3.35Å; G528-W803 PolarHBondContact N-O 2.93Å; G528-W803 PolarHBondContact O-N 2.94Å
529	T	98.2	Very high	96	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.4	178.4	-53.4	0	0	0	0	109.2	C777 L779 P781 L784 L799 T802	T529-C777 PolarHBondContact N-O 3Å; T529-C777 PolarHBondContact O-N 3.43Å; T529-L779 WeakPolarHBondContact CB-O 3.32Å; T529-L779 PolarHBondContact N-O 3.03Å; T529-L779 PolarHBondContact OG1-O 3.04Å; T529-P781 HydrophobicContact CG2-CG 4.21Å; T529-P781 VanDerWaalsContact OG1-CD 3.3Å; T529-P781 WeakPolarHBondContact OG1-CD 3.46Å; T529-L784 HydrophobicContact CG2-CD1 3.89Å; T529-L799 HydrophobicContact CG2-CD2 4.17Å; T529-T802 HydrophobicContact CG2-CG2 4.3Å
530	T	98.2	Very high	96.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.8	170.6	-62.5	0	0	0	0	108.5	H776 E800 S801 W803 E816	T530-H776 VanDerWaalsContact CG2-CE1 3.46Å; T530-H776 WeakPolarHBondContact CG2-CE1 3.29Å; T530-H776 PolarHBondContact OG1-ND1 2.84Å; T530-E800 PolarHBondContact O-N 2.98Å; T530-E800 VanDerWaalsContact O-N 3.1Å; T530-S801 PolarHBondContact N-O 3.36Å; T530-S801 PolarHBondContact O-N 3.06Å; T530-W803 PolarHBondContact OG1-NE1 3.03Å; T530-E816 PolarHBondContact OG1-OE1 3.47Å; T530-E816 VanDerWaalsContact OG1-OE1 3.11Å; T530-E816 PolarHBondContact OG1-OE2 3.26Å
531	A	97.8	Very high	96.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.6	177.9	0	0	0	0	0	110.2	S774 I775 L784 I787 W797 D798 L799	A531-S774 CarbonylContact O-C 3.6Å; A531-S774 VanDerWaalsContact O-CA 3.25Å; A531-S774 WeakPolarHBondContact O-CA 3.46Å; A531-I775 HydrophobicContact CB-CG1 4.02Å; A531-I775 PolarHBondContact N-O 3.38Å; A531-I775 PolarHBondContact O-N 3.38Å; A531-L784 HydrophobicContact CB-CD1 4.46Å; A531-I787 HydrophobicContact CB-CD1 4.49Å; A531-W797 HydrophobicContact CB-CE3 3.87Å; A531-W797 WeakPolarHBondContact O-CZ3 3.48Å; A531-D798 CarbonylContact C-O 3.56Å; A531-D798 VanDerWaalsContact CA-O 3.24Å; A531-D798 WeakPolarHBondContact CA-O 3.46Å; A531-L799 HydrophobicContact CB-CD2 3.84Å
532	D	97.1	Very high	96.4	Very high	39 Å²	39	28.2 Å²	28.2	21%	0.209	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.8	-176.8	-172.2	-99.3	0	0	0	111.6	W797 D798	D532-W797 CarbonylContact O-C 3.55Å; D532-W797 WeakPolarHBondContact O-CA 3.35Å; D532-D798 PolarHBondContact N-O 3.01Å; D532-D798 PolarHBondContact O-N 3.2Å
533	V	96.5	Very high	96.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.8	178.8	-177.3	0	0	0	0	111	S535 L536 F750 D773 W797	V533-S535 PolarHBondContact O-N 2.9Å; V533-L536 HydrophobicContact CB-CB 4.1Å; V533-L536 HydrophobicContact CB-CD1 4.09Å; V533-L536 HydrophobicContact CG1-CB 4.09Å; V533-L536 HydrophobicContact CG1-CD1 3.79Å; V533-L536 HydrophobicContact CG2-CD1 4.22Å; V533-L536 PolarHBondContact O-N 3.49Å; V533-F750 HydrophobicContact CB-CE1 4.44Å; V533-F750 HydrophobicContact CG1-CD1 4.36Å; V533-F750 HydrophobicContact CG1-CE1 3.86Å; V533-F750 HydrophobicContact CG2-CD1 3.88Å; V533-F750 HydrophobicContact CG2-CE1 3.62Å; V533-D773 HydrophobicContact CB-CB 4.22Å; V533-D773 WeakPolarHBondContact CG2-O 3.4Å; V533-D773 PolarHBondContact N-O 3.26Å; V533-W797 HydrophobicContact CG2-CD2 3.62Å; V533-W797 VanDerWaalsContact CG2-CE2 3.49Å; V533-W797 HydrophobicContact CG2-CE3 3.62Å; V533-W797 HydrophobicContact CG2-CG 4.39Å; V533-W797 HydrophobicContact CG2-CH2 3.45Å; V533-W797 VanDerWaalsContact CG2-CH2 3.45Å; V533-W797 HydrophobicContact CG2-CZ2 3.42Å; V533-W797 VanDerWaalsContact CG2-CZ2 3.42Å; V533-W797 HydrophobicContact CG2-CZ3 3.54Å
534	N	93.5	Very high	96.5	Very high	16 Å²	16	24.7 Å²	24.7	9%	0.086	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	98	175.9	-68.7	-75.8	0	0	0	112.8	S539 H790 N791 K792 N793 C796	N534-S539 PolarHBondContact O-OG 3.15Å; N534-H790 PolarHBondContact ND2-O 3.34Å; N534-N791 PolarHBondContact OD1-O 3.03Å; N534-N791 VanDerWaalsContact OD1-O 3.09Å; N534-K792 WeakPolarHBondContact OD1-CA 3.33Å; N534-K792 PolarHBondContact OD1-N 3.22Å; N534-N793 VanDerWaalsContact CB-O 3.27Å; N534-N793 WeakPolarHBondContact CB-O 3.24Å; N534-N793 PolarHBondContact ND2-O 3.46Å; N534-C796 PolarHBondContact N-O 2.76Å; N534-C796 PolarHBondContact ND2-O 3.48Å
535	S	92.7	Very high	96.5	Very high	22 Å²	22	23.2 Å²	23.2	15%	0.154	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	64.2	178.7	-46.8	0	0	0	0	111.3	V533 Y537 P538 S539 K681	V533-S535 PolarHBondContact O-N 2.9Å; S535-Y537 PolarHBondContact O-N 3.41Å; S535-P538 WeakPolarHBondContact O-CD 3.5Å; S535-S539 WeakPolarHBondContact O-CB 3.35Å; S535-S539 PolarHBondContact O-N 2.81Å; S535-S539 PolarHBondContact O-OG 3.32Å; S535-K681 PolarHBondContact OG-NZ 2.86Å
536	L	96.5	Very high	96.3	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-47.6	-54.9	-172.4	178.4	61.9	0	0	0	114	V533 S539 M540 A747 F750 T772 D773	V533-L536 HydrophobicContact CB-CB 4.1Å; V533-L536 HydrophobicContact CB-CD1 4.09Å; V533-L536 HydrophobicContact CG1-CB 4.09Å; V533-L536 HydrophobicContact CG1-CD1 3.79Å; V533-L536 HydrophobicContact CG2-CD1 4.22Å; V533-L536 PolarHBondContact O-N 3.49Å; L536-S539 WeakPolarHBondContact O-CB 3.49Å; L536-S539 PolarHBondContact O-N 2.6Å; L536-M540 HydrophobicContact CD1-CE 4.27Å; L536-M540 HydrophobicContact CD1-CG 4.37Å; L536-M540 WeakPolarHBondContact O-CG 3.28Å; L536-M540 PolarHBondContact O-N 3.33Å; L536-A747 HydrophobicContact CD1-CB 4.3Å; L536-A747 HydrophobicContact CD2-CB 3.79Å; L536-A747 HydrophobicContact CG-CB 3.86Å; L536-F750 HydrophobicContact CD1-CB 4.33Å; L536-F750 HydrophobicContact CD1-CD1 3.92Å; L536-F750 HydrophobicContact CD1-CG 4.36Å; L536-T772 HydrophobicContact CD2-CG2 4.25Å; L536-T772 VanDerWaalsContact CD2-O 3.3Å; L536-T772 WeakPolarHBondContact CD2-O 3.49Å; L536-D773 HydrophobicContact CB-CB 3.72Å; L536-D773 HydrophobicContact CD2-CB 3.74Å; L536-D773 HydrophobicContact CG-CB 4.33Å
537	Y	96.9	Very high	96.3	Very high	30 Å²	30	23.2 Å²	23.2	12%	0.118	13%	0.125	C	C	.	.	H	α-helix	trans	-63.9	-48.4	-178.2	-62.4	-58.8	0	0	0	112.8	S535 S539 M540 M541 Y700 I743 T744 A747 T772	S535-Y537 PolarHBondContact O-N 3.41Å; Y537-S539 VanDerWaalsContact C-N 3.3Å; Y537-S539 PolarHBondContact O-N 3.35Å; Y537-M540 PolarHBondContact O-N 3.5Å; Y537-M540 VanDerWaalsContact O-N 3.16Å; Y537-M541 WeakPolarHBondContact O-CG 3.46Å; Y537-M541 PolarHBondContact O-N 3.45Å; Y537-Y700 HydrophobicContact CD1-CD2 4.44Å; Y537-Y700 HydrophobicContact CD1-CE2 4.48Å; Y537-Y700 AromaticContact CD2-CD1 3.96Å; Y537-Y700 HydrophobicContact CD2-CD1 3.96Å; Y537-Y700 AromaticContact CD2-CE1 3.5Å; Y537-Y700 HydrophobicContact CD2-CE1 3.5Å; Y537-Y700 VanDerWaalsContact CD2-CE1 3.5Å; Y537-Y700 HydrophobicContact CD2-CE2 4.14Å; Y537-Y700 HydrophobicContact CD2-CG 4.46Å; Y537-Y700 AromaticContact CD2-CZ 3.6Å; Y537-Y700 HydrophobicContact CE1-CE2 4.39Å; Y537-Y700 AromaticContact CE2-CE1 3.93Å; Y537-Y700 HydrophobicContact CE2-CE1 3.93Å; Y537-Y700 HydrophobicContact CE2-CE2 4.02Å; Y537-Y700 AromaticContact CE2-CZ 3.54Å; Y537-Y700 WeakPolarHBondContact CE2-OH 3.43Å; Y537-Y700 HydrophobicContact CG-CD1 4.04Å; Y537-Y700 HydrophobicContact CG-CD2 4.36Å; Y537-Y700 HydrophobicContact CG-CE1 4.05Å; Y537-Y700 HydrophobicContact CG-CE2 4.36Å; Y537-Y700 HydrophobicContact CG-CG 4.2Å; Y537-I743 HydrophobicContact CD1-CG2 3.81Å; Y537-I743 HydrophobicContact CG-CG2 4.47Å; Y537-T744 HydrophobicContact CE1-CG2 4.06Å; Y537-A747 HydrophobicContact CD1-CB 3.75Å; Y537-A747 HydrophobicContact CE1-CB 3.57Å; Y537-T772 HydrophobicContact CE2-CG2 4.28Å
538	P	96.7	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-54.4	-41.1	169.7	-31	36.5	0	0	0	114.6	S535 M540 M541 S542 I674 L696 F794	S535-P538 WeakPolarHBondContact O-CD 3.5Å; P538-M540 VanDerWaalsContact C-N 3.31Å; P538-M540 PolarHBondContact O-N 3.46Å; P538-M541 PolarHBondContact O-N 3.44Å; P538-M541 VanDerWaalsContact O-N 3.16Å; P538-S542 PolarHBondContact O-N 2.63Å; P538-I674 HydrophobicContact CB-CD1 4.33Å; P538-L696 HydrophobicContact CB-CB 4.28Å; P538-L696 HydrophobicContact CB-CD2 4.34Å; P538-L696 HydrophobicContact CG-CB 3.77Å; P538-L696 WeakPolarHBondContact CG-O 3.47Å; P538-F794 HydrophobicContact CB-CE1 4.4Å; P538-F794 HydrophobicContact CB-CE2 4.48Å; P538-F794 HydrophobicContact CB-CZ 4.06Å
539	S	96.6	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.8	-44.8	176.2	-75	0	0	0	0	111	N534 S535 L536 Y537 M541 S542 S545 F794 C795	N534-S539 PolarHBondContact O-OG 3.15Å; S535-S539 WeakPolarHBondContact O-CB 3.35Å; S535-S539 PolarHBondContact O-N 2.81Å; S535-S539 PolarHBondContact O-OG 3.32Å; L536-S539 WeakPolarHBondContact O-CB 3.49Å; L536-S539 PolarHBondContact O-N 2.6Å; Y537-S539 VanDerWaalsContact C-N 3.3Å; Y537-S539 PolarHBondContact O-N 3.35Å; S539-M541 VanDerWaalsContact C-N 3.31Å; S539-M541 PolarHBondContact O-N 2.91Å; S539-S542 PolarHBondContact O-N 2.74Å; S539-S545 WeakPolarHBondContact O-CB 3.36Å; S539-F794 VanDerWaalsContact OG-CA 3.29Å; S539-F794 WeakPolarHBondContact OG-CA 3.39Å; S539-F794 VanDerWaalsContact OG-CB 3.32Å; S539-F794 WeakPolarHBondContact OG-CB 3.39Å; S539-C795 PolarHBondContact OG-N 3.06Å
540	M	97.6	Very high	96.5	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.02	10%	0.1	C	C	.	.	H	α-helix	trans	-65.7	-35.8	177.3	-63.4	-55.4	96.5	0	0	112	L536 Y537 P538 S545 N547 Y549 A747 F750	L536-M540 HydrophobicContact CD1-CE 4.27Å; L536-M540 HydrophobicContact CD1-CG 4.37Å; L536-M540 WeakPolarHBondContact O-CG 3.28Å; L536-M540 PolarHBondContact O-N 3.33Å; Y537-M540 PolarHBondContact O-N 3.5Å; Y537-M540 VanDerWaalsContact O-N 3.16Å; P538-M540 VanDerWaalsContact C-N 3.31Å; P538-M540 PolarHBondContact O-N 3.46Å; M540-S545 PolarHBondContact O-OG 3.32Å; M540-N547 PolarHBondContact O-ND2 2.91Å; M540-N547 VanDerWaalsContact O-ND2 3.11Å; M540-Y549 PolarHBondContact O-OH 3.32Å; M540-A747 HydrophobicContact CG-CB 4.1Å; M540-F750 HydrophobicContact CE-CB 4.25Å; M540-F750 HydrophobicContact CE-CD1 4.49Å; M540-F750 HydrophobicContact CE-CD2 3.7Å; M540-F750 HydrophobicContact CE-CE2 4.13Å; M540-F750 HydrophobicContact CE-CG 3.9Å; M540-F750 HydrophobicContact SD-CB 4.06Å; M540-F750 HydrophobicContact SD-CD2 4.33Å; M540-F750 HydrophobicContact SD-CG 4.35Å
541	M	97.7	Very high	96.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-72.4	-29.3	179.3	-69.1	171.9	67.7	0	0	114	Y537 P538 S539 Y549 F670 I674 L699 I743	Y537-M541 WeakPolarHBondContact O-CG 3.46Å; Y537-M541 PolarHBondContact O-N 3.45Å; P538-M541 PolarHBondContact O-N 3.44Å; P538-M541 VanDerWaalsContact O-N 3.16Å; S539-M541 VanDerWaalsContact C-N 3.31Å; S539-M541 PolarHBondContact O-N 2.91Å; M541-Y549 VanDerWaalsContact CA-OH 3.26Å; M541-Y549 WeakPolarHBondContact CA-OH 3.41Å; M541-Y549 PolarHBondContact N-OH 3.37Å; M541-F670 HydrophobicContact CB-CB 4.24Å; M541-F670 HydrophobicContact CB-CD2 3.78Å; M541-F670 HydrophobicContact CB-CG 4.17Å; M541-F670 HydrophobicContact CE-CB 4.12Å; M541-F670 HydrophobicContact CE-CD1 3.49Å; M541-F670 VanDerWaalsContact CE-CD1 3.49Å; M541-F670 HydrophobicContact CE-CD2 3.86Å; M541-F670 HydrophobicContact CE-CE1 3.82Å; M541-F670 HydrophobicContact CE-CE2 4.15Å; M541-F670 HydrophobicContact CE-CG 3.53Å; M541-F670 HydrophobicContact CE-CZ 4.15Å; M541-F670 HydrophobicContact CG-CD2 4.02Å; M541-F670 HydrophobicContact CG-CE2 4.29Å; M541-I674 HydrophobicContact CB-CD1 4.11Å; M541-I674 HydrophobicContact CB-CG1 4.24Å; M541-I674 HydrophobicContact CE-CD1 4.26Å; M541-L699 HydrophobicContact CE-CB 4.4Å; M541-L699 HydrophobicContact CE-CD2 3.82Å; M541-L699 HydrophobicContact CE-CG 4.12Å; M541-I743 HydrophobicContact CE-CD1 4.39Å; M541-I743 HydrophobicContact CG-CD1 3.77Å; M541-I743 HydrophobicContact CG-CG1 3.98Å; M541-I743 HydrophobicContact CG-CG2 4.34Å; M541-I743 HydrophobicContact SD-CD1 3.91Å
542	S	96.6	Very high	96.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.007	12%	0.118	C	C	.	.	S	Bend	trans	-66.2	142.3	176.3	179.8	0	0	0	0	111.2	P538 S539 E544 S545	P538-S542 PolarHBondContact O-N 2.63Å; S539-S542 PolarHBondContact O-N 2.74Å; S542-E544 PolarHBondContact O-N 3.17Å; S542-E544 VanDerWaalsContact O-N 3.13Å; S542-E544 WeakPolarHBondContact OG-CB 3.37Å; S542-E544 WeakPolarHBondContact OG-CG 3.4Å; S542-E544 PolarHBondContact OG-N 2.91Å; S542-E544 PolarHBondContact OG-OE1 2.92Å; S542-S545 PolarHBondContact O-N 3.27Å; S542-S545 VanDerWaalsContact O-N 3.07Å; S542-S545 PolarHBondContact O-OG 3.48Å
543	S	95.5	Very high	96.5	Very high	25 Å²	25	25.6 Å²	25.6	18%	0.175	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-60.5	-15.1	169.4	60.3	0	0	0	0	114.1	S545 L546 D671	S543-S545 PolarHBondContact O-N 3.11Å; S543-L546 PolarHBondContact O-N 3.24Å; S543-D671 WeakPolarHBondContact CB-OD1 3.46Å; S543-D671 WeakPolarHBondContact CB-OD2 3.23Å; S543-D671 PolarHBondContact N-OD1 3.36Å; S543-D671 PolarHBondContact OG-OD1 3.03Å; S543-D671 PolarHBondContact OG-OD2 3.25Å
544	E	94.7	Very high	96.5	Very high	84 Å²	84	26.2 Å²	26.2	39%	0.393	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-56.3	-28.7	169.5	-73.2	166.8	-87.7	0	0	112.9	S542 L546 K678 F794	S542-E544 PolarHBondContact O-N 3.17Å; S542-E544 VanDerWaalsContact O-N 3.13Å; S542-E544 WeakPolarHBondContact OG-CB 3.37Å; S542-E544 WeakPolarHBondContact OG-CG 3.4Å; S542-E544 PolarHBondContact OG-N 2.91Å; S542-E544 PolarHBondContact OG-OE1 2.92Å; E544-L546 VanDerWaalsContact C-N 3.31Å; E544-K678 IonicContact OE1-NZ 3.87Å; E544-K678 PolarHBondContact OE1-NZ 3.31Å; E544-K678 IonicContact OE2-NZ 3.27Å; E544-K678 PolarHBondContact OE2-NZ 3.45Å; E544-F794 WeakPolarHBondContact OE1-CD2 3.24Å
545	S	95.3	Very high	96.7	Very high	25 Å²	25	30 Å²	30	18%	0.175	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-79.6	-13.3	175.7	68.4	0	0	0	0	113.8	S539 M540 S542 S543 N547	S539-S545 WeakPolarHBondContact O-CB 3.36Å; M540-S545 PolarHBondContact O-OG 3.32Å; S542-S545 PolarHBondContact O-N 3.27Å; S542-S545 VanDerWaalsContact O-N 3.07Å; S542-S545 PolarHBondContact O-OG 3.48Å; S543-S545 PolarHBondContact O-N 3.11Å; S545-N547 VanDerWaalsContact CB-ND2 3.35Å; S545-N547 WeakPolarHBondContact CB-ND2 3.45Å; S545-N547 PolarHBondContact O-N 3.18Å; S545-N547 VanDerWaalsContact O-N 3.12Å; S545-N547 WeakPolarHBondContact OG-CB 3.27Å; S545-N547 VanDerWaalsContact OG-CG 3.31Å; S545-N547 PolarHBondContact OG-N 2.81Å; S545-N547 PolarHBondContact OG-ND2 2.92Å
546	L	95.1	Very high	97	Very high	91 Å²	91	31.5 Å²	31.5	48%	0.476	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	13.2	-170.1	-52.8	174.8	0	0	0	114.5	F89 S543 E544	F89-L546 HydrophobicContact CE1-CD1 4.03Å; F89-L546 HydrophobicContact CZ-CD1 3.86Å; S543-L546 PolarHBondContact O-N 3.24Å; E544-L546 VanDerWaalsContact C-N 3.31Å
547	N	97.4	Very high	97	Very high	22 Å²	22	32.3 Å²	32.3	12%	0.118	16%	0.163	C	C	.	.			trans	-67.4	140.1	177.5	-71	-34	0	0	0	111.2	M540 S545 Y549 Y746	M540-N547 PolarHBondContact O-ND2 2.91Å; M540-N547 VanDerWaalsContact O-ND2 3.11Å; S545-N547 VanDerWaalsContact CB-ND2 3.35Å; S545-N547 WeakPolarHBondContact CB-ND2 3.45Å; S545-N547 PolarHBondContact O-N 3.18Å; S545-N547 VanDerWaalsContact O-N 3.12Å; S545-N547 WeakPolarHBondContact OG-CB 3.27Å; S545-N547 VanDerWaalsContact OG-CG 3.31Å; S545-N547 PolarHBondContact OG-N 2.81Å; S545-N547 PolarHBondContact OG-ND2 2.92Å; N547-Y549 HydrophobicContact CB-CE2 4.22Å; N547-Y746 HydrophobicContact CB-CD1 4.5Å; N547-Y746 HydrophobicContact CB-CD2 3.81Å; N547-Y746 HydrophobicContact CB-CE1 4.38Å; N547-Y746 HydrophobicContact CB-CE2 3.67Å; N547-Y746 HydrophobicContact CB-CG 4.22Å; N547-Y746 WeakPolarHBondContact OD1-CD1 3.44Å; N547-Y746 VanDerWaalsContact OD1-CE1 3.31Å; N547-Y746 WeakPolarHBondContact OD1-CE1 3.11Å
548	K	97.2	Very high	97	Very high	34 Å²	34	34.4 Å²	34.4	15%	0.148	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.9	177.1	64.1	-173.8	176	168.7	0	109.9	A569 A571 Y572 S665 A666 V667 Y746	K548-A569 WeakPolarHBondContact CD-O 3.48Å; K548-A569 PolarHBondContact NZ-O 2.68Å; K548-A571 WeakPolarHBondContact CE-O 3.35Å; K548-A571 PolarHBondContact NZ-O 2.92Å; K548-Y572 HydrophobicContact CG-CD2 4.35Å; K548-S665 WeakPolarHBondContact CD-OG 3.26Å; K548-A666 WeakPolarHBondContact CA-O 3.2Å; K548-V667 HydrophobicContact CB-CG2 3.91Å; K548-Y746 PolarHBondContact N-OH 2.85Å; K548-Y746 WeakPolarHBondContact O-CE2 3.49Å; K548-Y746 PolarHBondContact O-OH 3.13Å
549	Y	98.3	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.1	-174.1	-72.3	-72.2	0	0	0	111.5	M540 M541 N547 S665 A666 I669 F670 A742 I743 Y746	M540-Y549 PolarHBondContact O-OH 3.32Å; M541-Y549 VanDerWaalsContact CA-OH 3.26Å; M541-Y549 WeakPolarHBondContact CA-OH 3.41Å; M541-Y549 PolarHBondContact N-OH 3.37Å; N547-Y549 HydrophobicContact CB-CE2 4.22Å; Y549-S665 CarbonylContact O-C 3.58Å; Y549-S665 WeakPolarHBondContact O-CA 3.29Å; Y549-S665 VanDerWaalsContact O-CB 3.22Å; Y549-S665 WeakPolarHBondContact O-CB 3.45Å; Y549-A666 PolarHBondContact N-O 3.47Å; Y549-A666 PolarHBondContact O-N 2.89Å; Y549-I669 HydrophobicContact CD2-CD1 4.2Å; Y549-I669 HydrophobicContact CD2-CG1 4.01Å; Y549-I669 HydrophobicContact CG-CD1 3.95Å; Y549-I669 HydrophobicContact CG-CG1 4.29Å; Y549-F670 HydrophobicContact CD1-CE2 4.18Å; Y549-F670 HydrophobicContact CD2-CD2 4.08Å; Y549-F670 AromaticContact CD2-CE2 3.75Å; Y549-F670 HydrophobicContact CD2-CE2 3.75Å; Y549-F670 HydrophobicContact CE1-CE2 4.3Å; Y549-F670 AromaticContact CE2-CD2 3.94Å; Y549-F670 HydrophobicContact CE2-CD2 3.94Å; Y549-F670 AromaticContact CE2-CE2 3.84Å; Y549-F670 HydrophobicContact CE2-CE2 3.84Å; Y549-F670 AromaticContact CG-CE2 3.91Å; Y549-F670 HydrophobicContact CG-CE2 3.91Å; Y549-A742 HydrophobicContact CD1-CB 3.99Å; Y549-A742 HydrophobicContact CE1-CB 4.19Å; Y549-I743 HydrophobicContact CD1-CG1 4.24Å; Y549-I743 HydrophobicContact CE1-CB 4.38Å; Y549-I743 HydrophobicContact CE1-CD1 4.42Å; Y549-I743 HydrophobicContact CE1-CG1 3.38Å; Y549-Y746 HydrophobicContact CE1-CD2 4.13Å; Y549-Y746 HydrophobicContact CE1-CE2 4.21Å
550	P	98.2	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	139.2	175.4	26.6	-34.5	0	0	0	110.7	Y572 F574 F663 D664 Y736 P738 V739 A742	P550-Y572 HydrophobicContact CB-CD1 4.41Å; P550-Y572 HydrophobicContact CG-CD1 4.22Å; P550-F574 HydrophobicContact CG-CZ 4.44Å; P550-F663 HydrophobicContact CB-CB 3.56Å; P550-F663 HydrophobicContact CB-CD1 4.21Å; P550-F663 HydrophobicContact CB-CD2 3.95Å; P550-F663 HydrophobicContact CB-CG 3.65Å; P550-D664 WeakPolarHBondContact CA-O 3.35Å; P550-Y736 WeakPolarHBondContact O-CE1 3.41Å; P550-P738 HydrophobicContact CB-CB 3.89Å; P550-P738 VanDerWaalsContact CG-C 3.49Å; P550-P738 HydrophobicContact CG-CB 3.42Å; P550-P738 VanDerWaalsContact CG-CB 3.42Å; P550-V739 HydrophobicContact CG-CG2 4.28Å; P550-V739 WeakPolarHBondContact O-CG2 3.5Å; P550-A742 HydrophobicContact CG-CB 4.48Å
551	I	97.6	Very high	96.9	Very high	41 Å²	41	44.8 Å²	44.8	21%	0.21	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.2	176.8	57.9	170.7	0	0	0	110.5	M483 F484 D664 A666 I669	M483-I551 HydrophobicContact CB-CG2 4.44Å; M483-I551 HydrophobicContact CE-CG2 3.96Å; F484-I551 HydrophobicContact CE1-CG2 4.49Å; I551-D664 HydrophobicContact CG1-CB 4.48Å; I551-D664 WeakPolarHBondContact CG1-O 3.46Å; I551-D664 PolarHBondContact N-O 3.21Å; I551-A666 HydrophobicContact CD1-CB 4.23Å; I551-I669 HydrophobicContact CG2-CD1 4.42Å; I551-I669 HydrophobicContact CG2-CG2 4.5Å
552	G	97.7	Very high	96.9	Very high	17 Å²	17	46 Å²	46	18%	0.175	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.9	-146.2	173.8	0	0	0	0	0	113.9	M483 P485 Y736	M483-G552 PolarHBondContact O-N 3.04Å; P485-G552 WeakPolarHBondContact CD-O 3.46Å; P485-G552 WeakPolarHBondContact CG-O 3.43Å; G552-Y736 PolarHBondContact N-OH 3.43Å; G552-Y736 PolarHBondContact O-OH 3.29Å
553	E	97.4	Very high	96.9	Very high	122 Å²	122	46.5 Å²	46.5	57%	0.57	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	148.6	-179.2	-69.2	-177.9	-178.4	0	0	111.6	P485 M490	P485-E553 HydrophobicContact CG-CG 4.05Å; M490-E553 HydrophobicContact CE-CB 4.01Å; M490-E553 HydrophobicContact CE-CG 3.88Å; M490-E553 HydrophobicContact SD-CB 4.48Å; M490-E553 HydrophobicContact SD-CG 4.01Å
554	P	98	Very high	97	Very high	14 Å²	14	50.8 Å²	50.8	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	149.3	175.2	26.6	-31.7	0	0	0	113	M490 A501 F556 C661 F663	M490-P554 HydrophobicContact CE-CG 4.41Å; A501-P554 HydrophobicContact CB-CG 3.97Å; P554-F556 HydrophobicContact CB-CD2 4.07Å; P554-F556 HydrophobicContact CB-CE2 3.65Å; P554-F556 HydrophobicContact CB-CZ 4.4Å; P554-F556 HydrophobicContact CG-CD2 4.16Å; P554-F556 HydrophobicContact CG-CE2 3.48Å; P554-F556 VanDerWaalsContact CG-CE2 3.48Å; P554-F556 HydrophobicContact CG-CZ 4.35Å; P554-C661 HydrophobicContact CB-CB 3.94Å; P554-F663 HydrophobicContact CB-CD1 4.31Å; P554-F663 HydrophobicContact CB-CE1 3.7Å; P554-F663 HydrophobicContact CB-CE2 3.91Å; P554-F663 HydrophobicContact CB-CZ 3.49Å; P554-F663 VanDerWaalsContact CB-CZ 3.49Å; P554-F663 HydrophobicContact CG-CE1 4.07Å; P554-F663 HydrophobicContact CG-CZ 4.02Å
555	H	97.8	Very high	97.1	Very high	94 Å²	94	51.7 Å²	51.7	44%	0.435	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.2	163.2	-63.7	-80.7	0	0	0	109.6	C661 W662	H555-C661 CarbonylContact O-C 3.56Å; H555-C661 VanDerWaalsContact O-CA 3.29Å; H555-C661 WeakPolarHBondContact O-CA 3.43Å; H555-W662 HydrophobicContact CB-CD2 3.87Å; H555-W662 HydrophobicContact CB-CE3 4.48Å; H555-W662 HydrophobicContact CB-CG 4.27Å; H555-W662 HydrophobicContact CB-CH2 4.17Å; H555-W662 HydrophobicContact CB-CZ2 3.55Å; H555-W662 AromaticContact CD2-CE2 3.96Å; H555-W662 AromaticContact CD2-CE3 3.92Å; H555-W662 AromaticContact CD2-CH2 3.18Å; H555-W662 WeakPolarHBondContact CD2-CH2 3.47Å; H555-W662 AromaticContact CD2-CZ2 3.51Å; H555-W662 AromaticContact CD2-CZ3 3.4Å; H555-W662 VanDerWaalsContact CD2-CZ3 3.4Å; H555-W662 WeakPolarHBondContact CD2-CZ3 3.4Å; H555-W662 AromaticContact CG-CE2 3.83Å; H555-W662 AromaticContact CG-CH2 3.7Å; H555-W662 AromaticContact CG-CZ2 3.49Å; H555-W662 VanDerWaalsContact CG-CZ2 3.49Å; H555-W662 PolarHBondContact N-O 3.36Å; H555-W662 AromaticContact NE2-CH2 3.69Å; H555-W662 PolarHBondContact O-N 3.47Å
556	F	98.1	Very high	97.1	Very high	55 Å²	55	50.5 Å²	50.5	24%	0.241	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	148.1	179.8	-78.1	-94.9	0	0	0	112.3	L492 F496 A501 Y504 P554 G660 C661	L492-F556 HydrophobicContact CD1-CE1 3.69Å; L492-F556 HydrophobicContact CD1-CE2 4.3Å; L492-F556 HydrophobicContact CD1-CZ 3.57Å; L492-F556 HydrophobicContact CD2-CD1 4.4Å; L492-F556 HydrophobicContact CD2-CD2 3.81Å; L492-F556 HydrophobicContact CD2-CE1 4.08Å; L492-F556 HydrophobicContact CD2-CE2 3.42Å; L492-F556 VanDerWaalsContact CD2-CE2 3.42Å; L492-F556 HydrophobicContact CD2-CG 4.29Å; L492-F556 HydrophobicContact CD2-CZ 3.6Å; L492-F556 HydrophobicContact CG-CE2 4.47Å; L492-F556 HydrophobicContact CG-CZ 4.21Å; F496-F556 AromaticContact CD1-CD1 3.75Å; F496-F556 HydrophobicContact CD1-CD1 3.75Å; F496-F556 HydrophobicContact CD1-CE1 4.37Å; F496-F556 HydrophobicContact CE1-CB 3.96Å; F496-F556 AromaticContact CE1-CD1 3.68Å; F496-F556 HydrophobicContact CE1-CD1 3.68Å; F496-F556 HydrophobicContact CE1-CG 4.26Å; F496-F556 HydrophobicContact CE2-CB 4.31Å; F496-F556 HydrophobicContact CE2-CD1 4.48Å; F496-F556 HydrophobicContact CG-CD1 4.18Å; F496-F556 HydrophobicContact CZ-CB 3.68Å; F496-F556 HydrophobicContact CZ-CD1 4.08Å; F496-F556 HydrophobicContact CZ-CG 4.24Å; A501-F556 HydrophobicContact CB-CE2 3.92Å; A501-F556 HydrophobicContact CB-CZ 3.94Å; Y504-F556 AromaticContact CD1-CE1 3.67Å; Y504-F556 HydrophobicContact CD1-CE1 3.67Å; Y504-F556 HydrophobicContact CD1-CZ 4.18Å; Y504-F556 HydrophobicContact CD2-CE1 4.08Å; Y504-F556 AromaticContact CE1-CE1 3.99Å; Y504-F556 HydrophobicContact CE1-CE1 3.99Å; Y504-F556 HydrophobicContact CE2-CE1 4.35Å; Y504-F556 AromaticContact CG-CE1 3.74Å; Y504-F556 HydrophobicContact CG-CE1 3.74Å; Y504-F556 HydrophobicContact CG-CZ 4.26Å; P554-F556 HydrophobicContact CB-CD2 4.07Å; P554-F556 HydrophobicContact CB-CE2 3.65Å; P554-F556 HydrophobicContact CB-CZ 4.4Å; P554-F556 HydrophobicContact CG-CD2 4.16Å; P554-F556 HydrophobicContact CG-CE2 3.48Å; P554-F556 VanDerWaalsContact CG-CE2 3.48Å; P554-F556 HydrophobicContact CG-CZ 4.35Å; F556-G660 WeakPolarHBondContact CA-O 3.47Å; F556-C661 HydrophobicContact CD1-CB 3.71Å; F556-C661 HydrophobicContact CD2-CB 4.07Å; F556-C661 HydrophobicContact CE1-CB 3.67Å; F556-C661 HydrophobicContact CE2-CB 4.02Å; F556-C661 HydrophobicContact CG-CB 3.91Å; F556-C661 HydrophobicContact CZ-CB 3.8Å
557	W	97.6	Very high	97.1	Very high	19 Å²	19	51.8 Å²	51.8	7%	0.072	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.4	169	81.6	93.1	0	0	0	110	F496 F561 P563 A566 Y573 F574 V575 D659 G660 C661 W662	F496-W557 WeakPolarHBondContact CE1-O 3.29Å; W557-F561 PolarHBondContact NE1-O 3.21Å; W557-P563 HydrophobicContact CB-CG 4.23Å; W557-P563 HydrophobicContact CD2-CG 3.8Å; W557-P563 HydrophobicContact CE3-CG 3.97Å; W557-P563 HydrophobicContact CG-CG 3.89Å; W557-A566 HydrophobicContact CZ3-CB 4.44Å; W557-Y573 HydrophobicContact CH2-CD2 4.19Å; W557-F574 WeakPolarHBondContact CH2-O 3.41Å; W557-V575 HydrophobicContact CZ2-CB 4.47Å; W557-V575 HydrophobicContact CZ2-CG2 4.29Å; W557-D659 WeakPolarHBondContact O-CA 3.4Å; W557-D659 WeakPolarHBondContact O-CB 3.4Å; W557-G660 VanDerWaalsContact CZ2-CA 3.45Å; W557-G660 VanDerWaalsContact CZ3-CA 3.47Å; W557-G660 PolarHBondContact N-O 3.45Å; W557-G660 PolarHBondContact O-N 3.31Å; W557-C661 VanDerWaalsContact CZ3-CA 3.49Å; W557-W662 HydrophobicContact CZ3-CB 4.35Å
558	S	96.4	Very high	97	Very high	74 Å²	74	55 Å²	55	52%	0.517	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145	172.1	-175.8	0	0	0	0	110.2	F561	S558-F561 WeakPolarHBondContact O-CE1 3.47Å
559	G	94.7	Very high	96.8	Very high	24 Å²	24	56.5 Å²	56.5	25%	0.247	30%	0.296	C	S	.	.	S	Bend	trans	125.1	164.8	-179.9	0	0	0	0	0	113.2	F561 I657 L658	G559-F561 PolarHBondContact O-N 2.72Å; G559-I657 WeakPolarHBondContact O-CG2 3.31Å; G559-L658 PolarHBondContact N-O 3.14Å
560	D	97	Very high	96.6	Very high	93 Å²	93	59.3 Å²	59.3	50%	0.497	31%	0.313	S	S	.	.	S	Bend	trans	-82	59.4	-175.7	-167.2	11.4	0	0	0	112.4	R656 I657	D560-R656 HydrophobicContact CB-CG 4.41Å; D560-I657 VanDerWaalsContact CA-O 3.29Å; D560-I657 WeakPolarHBondContact CA-O 3.37Å; D560-I657 WeakPolarHBondContact OD1-CB 3.32Å; D560-I657 PolarHBondContact OD1-N 2.92Å
561	F	97.1	Very high	96.6	Very high	106 Å²	106	59.3 Å²	59.3	47%	0.465	31%	0.313	S	S	.	.	S	Bend	trans	-158.4	167.8	177.4	66.3	-80	0	0	0	110.9	W557 S558 G559 P563	W557-F561 PolarHBondContact NE1-O 3.21Å; S558-F561 WeakPolarHBondContact O-CE1 3.47Å; G559-F561 PolarHBondContact O-N 2.72Å; F561-P563 HydrophobicContact CD2-CB 4.48Å; F561-P563 HydrophobicContact CE2-CB 4.04Å
562	I	97.1	Very high	96.6	Very high	24 Å²	24	57.4 Å²	57.4	12%	0.123	30%	0.303	C	S	.	.			trans	-110.5	120.8	164.9	-57.4	179.4	0	0	0	106.9	A566 K567 Y573 F643 I657	I562-A566 HydrophobicContact CG2-CB 3.96Å; I562-K567 HydrophobicContact CG2-CG 4.01Å; I562-K567 WeakPolarHBondContact O-CE 3.48Å; I562-K567 PolarHBondContact O-NZ 3.28Å; I562-Y573 HydrophobicContact CD1-CE2 3.95Å; I562-F643 HydrophobicContact CD1-CD1 4.44Å; I562-F643 HydrophobicContact CD1-CE1 3.87Å; I562-I657 HydrophobicContact CD1-CD1 4.21Å; I562-I657 HydrophobicContact CG1-CD1 3.69Å
563	P	97.2	Very high	96.7	Very high	12 Å²	12	57.6 Å²	57.6	8%	0.078	30%	0.299	C	S	.	.			trans	-62.6	150.5	179.8	23	-30.7	0	0	0	111.3	W557 F561 E565 A566 K567	W557-P563 HydrophobicContact CB-CG 4.23Å; W557-P563 HydrophobicContact CD2-CG 3.8Å; W557-P563 HydrophobicContact CE3-CG 3.97Å; W557-P563 HydrophobicContact CG-CG 3.89Å; F561-P563 HydrophobicContact CD2-CB 4.48Å; F561-P563 HydrophobicContact CE2-CB 4.04Å; P563-E565 WeakPolarHBondContact CB-OE2 3.42Å; P563-E565 PolarHBondContact O-N 3.07Å; P563-A566 HydrophobicContact CG-CB 3.88Å; P563-A566 WeakPolarHBondContact O-CB 3.28Å; P563-A566 PolarHBondContact O-N 3.42Å; P563-A566 VanDerWaalsContact O-N 3.13Å; P563-K567 PolarHBondContact O-N 3.02Å
564	D	97	Very high	96.7	Very high	115 Å²	115	51.8 Å²	51.8	62%	0.615	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-66.8	-27.8	-178.2	-71.9	-21.1	0	0	0	111.9	A566 K567 R568	D564-A566 VanDerWaalsContact C-N 3.29Å; D564-A566 PolarHBondContact O-N 2.94Å; D564-K567 PolarHBondContact O-N 2.85Å; D564-K567 IonicContact OD1-NZ 3.72Å; D564-K567 PolarHBondContact OD1-NZ 3.21Å; D564-R568 PolarHBondContact O-N 3.45Å
565	E	96.6	Very high	96.8	Very high	103 Å²	103	51.1 Å²	51.1	48%	0.481	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-59	-39.2	172.5	-64.2	80.9	178.8	0	0	112	P563 K567 R568 A571 W662	P563-E565 WeakPolarHBondContact CB-OE2 3.42Å; P563-E565 PolarHBondContact O-N 3.07Å; E565-K567 VanDerWaalsContact C-N 3.29Å; E565-K567 PolarHBondContact O-N 3.13Å; E565-R568 WeakPolarHBondContact O-CG 3.5Å; E565-R568 PolarHBondContact O-NE 3.16Å; E565-A571 WeakPolarHBondContact O-CB 3.29Å; E565-W662 HydrophobicContact CB-CZ2 3.83Å; E565-W662 HydrophobicContact CG-CZ2 4.48Å
566	A	96.7	Very high	96.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.008	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-72.8	-21.6	176.5	0	0	0	0	0	112.5	W557 I562 P563 D564 Y573 W662	W557-A566 HydrophobicContact CZ3-CB 4.44Å; I562-A566 HydrophobicContact CG2-CB 3.96Å; P563-A566 HydrophobicContact CG-CB 3.88Å; P563-A566 WeakPolarHBondContact O-CB 3.28Å; P563-A566 PolarHBondContact O-N 3.42Å; P563-A566 VanDerWaalsContact O-N 3.13Å; D564-A566 VanDerWaalsContact C-N 3.29Å; D564-A566 PolarHBondContact O-N 2.94Å; A566-Y573 HydrophobicContact CB-CD1 4.21Å; A566-Y573 HydrophobicContact CB-CG 4.27Å; A566-Y573 VanDerWaalsContact O-CD1 3.29Å; A566-Y573 WeakPolarHBondContact O-CD1 3.49Å; A566-W662 HydrophobicContact CB-CB 3.67Å; A566-W662 HydrophobicContact CB-CG 3.8Å
567	K	94.3	Very high	96.8	Very high	118 Å²	118	44.6 Å²	44.6	51%	0.513	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-87.5	-5.3	179.8	-61.1	174.3	-161.9	146.9	0	113.6	I562 P563 D564 E565	I562-K567 HydrophobicContact CG2-CG 4.01Å; I562-K567 WeakPolarHBondContact O-CE 3.48Å; I562-K567 PolarHBondContact O-NZ 3.28Å; P563-K567 PolarHBondContact O-N 3.02Å; D564-K567 PolarHBondContact O-N 2.85Å; D564-K567 IonicContact OD1-NZ 3.72Å; D564-K567 PolarHBondContact OD1-NZ 3.21Å; E565-K567 VanDerWaalsContact C-N 3.29Å; E565-K567 PolarHBondContact O-N 3.13Å
568	R	95.6	Very high	96.7	Very high	90 Å²	90	47.7 Å²	47.7	34%	0.34	25%	0.251	S	S	.	.	S	Bend	trans	-58.7	147.5	178	-65.2	179.9	-60.3	125.7	-1	110.8	D564 E565 T570 A571 D664	D564-R568 PolarHBondContact O-N 3.45Å; E565-R568 WeakPolarHBondContact O-CG 3.5Å; E565-R568 PolarHBondContact O-NE 3.16Å; R568-T570 PolarHBondContact NH1-OG1 3.04Å; R568-T570 PolarHBondContact O-N 3.11Å; R568-A571 HydrophobicContact CB-CB 4.19Å; R568-A571 PolarHBondContact O-N 3.28Å; R568-D664 IonicContact CZ-OD1 2.88Å; R568-D664 IonicContact NH1-OD1 3.67Å; R568-D664 PolarHBondContact NH1-OD1 3.23Å; R568-D664 IonicContact NH2-OD1 3.71Å; R568-D664 PolarHBondContact NH2-OD1 3.34Å
569	A	92.7	Very high	96.8	Very high	64 Å²	64	44.2 Å²	44.2	53%	0.529	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.5	174.7	0	0	0	0	0	112.8	M96 K548	M96-A569 HydrophobicContact CE-CB 4.2Å; M96-A569 HydrophobicContact SD-CB 4.3Å; K548-A569 WeakPolarHBondContact CD-O 3.48Å; K548-A569 PolarHBondContact NZ-O 2.68Å
570	T	94.8	Very high	96.9	Very high	60 Å²	60	44.9 Å²	44.9	37%	0.368	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	8.4	178.6	57.6	0	0	0	0	114.3	R568 D664 S665	R568-T570 PolarHBondContact NH1-OG1 3.04Å; R568-T570 PolarHBondContact O-N 3.11Å; T570-D664 CarbonylContact O-C 3.59Å; T570-S665 PolarHBondContact O-N 3.31Å; T570-S665 PolarHBondContact O-OG 3.41Å
571	A	97.4	Very high	96.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	150.4	176.8	0	0	0	0	0	112.1	K548 E565 R568 W662 F663 S665	K548-A571 WeakPolarHBondContact CE-O 3.35Å; K548-A571 PolarHBondContact NZ-O 2.92Å; E565-A571 WeakPolarHBondContact O-CB 3.29Å; R568-A571 HydrophobicContact CB-CB 4.19Å; R568-A571 PolarHBondContact O-N 3.28Å; A571-W662 HydrophobicContact CB-CE3 4.32Å; A571-F663 CarbonylContact C-O 3.59Å; A571-F663 VanDerWaalsContact CA-O 3.24Å; A571-F663 WeakPolarHBondContact CA-O 3.31Å; A571-S665 PolarHBondContact N-OG 3.1Å
572	Y	98.5	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.5	168.6	-167	-81.9	0	0	0	109.1	K548 P550 F574 T639 M640 W662 F663 A742 Y746	K548-Y572 HydrophobicContact CG-CD2 4.35Å; P550-Y572 HydrophobicContact CB-CD1 4.41Å; P550-Y572 HydrophobicContact CG-CD1 4.22Å; Y572-F574 AromaticContact CD1-CE2 3.83Å; Y572-F574 HydrophobicContact CD1-CE2 3.83Å; Y572-F574 AromaticContact CD1-CZ 3.93Å; Y572-F574 HydrophobicContact CD1-CZ 3.93Å; Y572-F574 HydrophobicContact CE1-CE1 4.15Å; Y572-F574 HydrophobicContact CE1-CE2 4.08Å; Y572-F574 AromaticContact CE1-CZ 3.73Å; Y572-F574 HydrophobicContact CE1-CZ 3.73Å; Y572-T639 HydrophobicContact CE1-CG2 4.32Å; Y572-T639 VanDerWaalsContact OH-CB 3.27Å; Y572-T639 WeakPolarHBondContact OH-CB 3.43Å; Y572-M640 HydrophobicContact CD2-CG 3.98Å; Y572-M640 HydrophobicContact CD2-SD 3.74Å; Y572-M640 HydrophobicContact CE1-CG 4.38Å; Y572-M640 HydrophobicContact CE2-CG 3.8Å; Y572-M640 HydrophobicContact CE2-SD 4.13Å; Y572-M640 HydrophobicContact CG-CG 4.34Å; Y572-M640 HydrophobicContact CG-SD 4.09Å; Y572-W662 CarbonylContact O-C 3.58Å; Y572-W662 WeakPolarHBondContact O-CA 3.45Å; Y572-F663 PolarHBondContact N-O 2.86Å; Y572-F663 PolarHBondContact O-N 3.17Å; Y572-A742 HydrophobicContact CE1-CB 3.93Å; Y572-A742 HydrophobicContact CE2-CB 4.1Å; Y572-A742 WeakPolarHBondContact OH-CA 3.24Å; Y572-Y746 HydrophobicContact CE2-CE1 4.44Å; Y572-Y746 AromaticContact CE2-CE2 3.93Å; Y572-Y746 HydrophobicContact CE2-CE2 3.93Å; Y572-Y746 AromaticContact CE2-CZ 3.63Å; Y572-Y746 VanDerWaalsContact CE2-OH 3.28Å; Y572-Y746 WeakPolarHBondContact CE2-OH 3.4Å
573	Y	98.6	Very high	97	Very high	21 Å²	21	39.5 Å²	39.5	8%	0.082	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	158	-173.3	72	-96.4	0	0	0	113.9	W557 I562 A566 V575 T639 M640 F643 C661	W557-Y573 HydrophobicContact CH2-CD2 4.19Å; I562-Y573 HydrophobicContact CD1-CE2 3.95Å; A566-Y573 HydrophobicContact CB-CD1 4.21Å; A566-Y573 HydrophobicContact CB-CG 4.27Å; A566-Y573 VanDerWaalsContact O-CD1 3.29Å; A566-Y573 WeakPolarHBondContact O-CD1 3.49Å; Y573-V575 HydrophobicContact CD2-CB 4.23Å; Y573-V575 HydrophobicContact CD2-CG1 4.46Å; Y573-V575 HydrophobicContact CE2-CB 4.22Å; Y573-V575 HydrophobicContact CE2-CG1 4.09Å; Y573-T639 CarbonylContact O-C 3.59Å; Y573-M640 HydrophobicContact CD1-CB 3.59Å; Y573-M640 HydrophobicContact CD1-CE 4.47Å; Y573-M640 HydrophobicContact CD1-CG 4.38Å; Y573-M640 HydrophobicContact CD1-SD 4.08Å; Y573-M640 HydrophobicContact CD2-CB 3.89Å; Y573-M640 HydrophobicContact CE1-CB 3.33Å; Y573-M640 HydrophobicContact CE1-CE 4.07Å; Y573-M640 HydrophobicContact CE1-CG 4.35Å; Y573-M640 HydrophobicContact CE1-SD 4.21Å; Y573-M640 HydrophobicContact CE2-CB 3.63Å; Y573-M640 HydrophobicContact CG-CB 3.86Å; Y573-M640 PolarHBondContact O-N 3.45Å; Y573-F643 HydrophobicContact CE2-CD1 4.47Å; Y573-C661 CarbonylContact C-O 3.54Å; Y573-C661 VanDerWaalsContact CA-O 3.29Å; Y573-C661 WeakPolarHBondContact CA-O 3.38Å; Y573-C661 WeakPolarHBondContact CB-O 3.42Å
574	F	98.6	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.8	172.8	-57.4	-96.3	0	0	0	107.4	V505 S508 P550 W557 Y572 M638 T639 G660 C661 F663 P738	V505-F574 HydrophobicContact CG1-CD1 3.96Å; V505-F574 HydrophobicContact CG1-CD2 4.47Å; V505-F574 HydrophobicContact CG1-CE1 3.65Å; V505-F574 HydrophobicContact CG1-CE2 4.23Å; V505-F574 HydrophobicContact CG1-CG 4.36Å; V505-F574 HydrophobicContact CG1-CZ 3.82Å; V505-F574 HydrophobicContact CG2-CD2 4.41Å; S508-F574 VanDerWaalsContact OG-CD1 3.28Å; S508-F574 WeakPolarHBondContact OG-CD1 3.38Å; S508-F574 WeakPolarHBondContact OG-CE1 3.47Å; P550-F574 HydrophobicContact CG-CZ 4.44Å; W557-F574 WeakPolarHBondContact CH2-O 3.41Å; Y572-F574 AromaticContact CD1-CE2 3.83Å; Y572-F574 HydrophobicContact CD1-CE2 3.83Å; Y572-F574 AromaticContact CD1-CZ 3.93Å; Y572-F574 HydrophobicContact CD1-CZ 3.93Å; Y572-F574 HydrophobicContact CE1-CE1 4.15Å; Y572-F574 HydrophobicContact CE1-CE2 4.08Å; Y572-F574 AromaticContact CE1-CZ 3.73Å; Y572-F574 HydrophobicContact CE1-CZ 3.73Å; F574-M638 CarbonylContact C-O 3.57Å; F574-M638 VanDerWaalsContact CA-O 3.27Å; F574-M638 WeakPolarHBondContact CA-O 3.38Å; F574-T639 HydrophobicContact CD1-CG2 4.06Å; F574-T639 HydrophobicContact CE1-CG2 3.76Å; F574-G660 CarbonylContact O-C 3.54Å; F574-G660 WeakPolarHBondContact O-CA 3.43Å; F574-C661 PolarHBondContact N-O 2.87Å; F574-C661 PolarHBondContact O-N 2.95Å; F574-F663 AromaticContact CD2-CD2 4Å; F574-F663 HydrophobicContact CD2-CD2 4Å; F574-F663 AromaticContact CD2-CE2 3.69Å; F574-F663 HydrophobicContact CD2-CE2 3.69Å; F574-F663 AromaticContact CE2-CD2 3.69Å; F574-F663 HydrophobicContact CE2-CD2 3.69Å; F574-F663 AromaticContact CE2-CE2 3.51Å; F574-F663 HydrophobicContact CE2-CE2 3.51Å; F574-P738 HydrophobicContact CE2-CB 3.92Å; F574-P738 HydrophobicContact CZ-CB 3.73Å
575	V	98.4	Very high	96.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.1	-174.4	60.4	0	0	0	0	110.2	W557 Y573 F577 T637 M638 F643 I657	W557-V575 HydrophobicContact CZ2-CB 4.47Å; W557-V575 HydrophobicContact CZ2-CG2 4.29Å; Y573-V575 HydrophobicContact CD2-CB 4.23Å; Y573-V575 HydrophobicContact CD2-CG1 4.46Å; Y573-V575 HydrophobicContact CE2-CB 4.22Å; Y573-V575 HydrophobicContact CE2-CG1 4.09Å; V575-F577 HydrophobicContact CG1-CD1 4.18Å; V575-F577 HydrophobicContact CG1-CE1 4.36Å; V575-F577 HydrophobicContact CG2-CD1 4.4Å; V575-T637 WeakPolarHBondContact O-CA 3.47Å; V575-M638 PolarHBondContact N-O 2.79Å; V575-M638 PolarHBondContact O-N 2.87Å; V575-F643 HydrophobicContact CG1-CB 3.94Å; V575-F643 HydrophobicContact CG1-CD1 4.02Å; V575-F643 HydrophobicContact CG1-CD2 3.91Å; V575-F643 HydrophobicContact CG1-CE2 4.42Å; V575-F643 HydrophobicContact CG1-CG 3.68Å; V575-I657 HydrophobicContact CG2-CD1 4.4Å; V575-I657 HydrophobicContact CG2-CG1 4.24Å; V575-I657 HydrophobicContact CG2-CG2 3.81Å
576	R	98.1	Very high	96.9	Very high	13 Å²	13	40.6 Å²	40.6	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.3	172.9	-171.1	173.6	71	123.2	-13.4	109.6	S495 Y504 E635 L636 L658 D659	S495-R576 PolarHBondContact O-NH2 3.28Å; Y504-R576 WeakPolarHBondContact OH-CB 3.3Å; R576-E635 WeakPolarHBondContact CD-OE1 3.21Å; R576-E635 HydrophobicContact CG-CG 4.2Å; R576-E635 IonicContact CZ-OE1 3.47Å; R576-E635 IonicContact NE-OE1 2.98Å; R576-E635 IonicContact NH1-OE1 3.96Å; R576-E635 PolarHBondContact NH1-OE1 3.37Å; R576-E635 IonicContact NH1-OE2 3.92Å; R576-L636 VanDerWaalsContact CA-O 3.29Å; R576-L636 WeakPolarHBondContact CA-O 3.5Å; R576-L658 HydrophobicContact CG-CD1 4.27Å; R576-L658 PolarHBondContact O-N 2.87Å; R576-D659 WeakPolarHBondContact CB-OD1 3.36Å; R576-D659 IonicContact CZ-OD1 3.92Å; R576-D659 IonicContact CZ-OD2 3.17Å; R576-D659 VanDerWaalsContact CZ-OD2 3.32Å; R576-D659 PolarHBondContact N-O 3.05Å; R576-D659 IonicContact NE-OD1 2.62Å; R576-D659 PolarHBondContact NE-OD1 3.32Å; R576-D659 IonicContact NE-OD2 3.07Å; R576-D659 PolarHBondContact NE-OD2 3.32Å; R576-D659 IonicContact NH2-OD1 3.75Å; R576-D659 IonicContact NH2-OD2 3.09Å; R576-D659 PolarHBondContact NH2-OD2 3.34Å; R576-D659 PolarHBondContact O-N 3.02Å
577	F	97.9	Very high	96.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.4	-175.5	60	-91.7	0	0	0	111.2	V575 T579 E635 L636 M638 F643 F646 F655 R656 I657	V575-F577 HydrophobicContact CG1-CD1 4.18Å; V575-F577 HydrophobicContact CG1-CE1 4.36Å; V575-F577 HydrophobicContact CG2-CD1 4.4Å; F577-T579 HydrophobicContact CD2-CG2 4.03Å; F577-T579 HydrophobicContact CE2-CG2 3.82Å; F577-E635 WeakPolarHBondContact O-CA 3.5Å; F577-L636 HydrophobicContact CD2-CB 4.45Å; F577-L636 HydrophobicContact CE1-CB 4.22Å; F577-L636 HydrophobicContact CE2-CB 3.86Å; F577-L636 HydrophobicContact CE2-CD1 3.91Å; F577-L636 HydrophobicContact CE2-CG 4.45Å; F577-L636 HydrophobicContact CZ-CB 3.75Å; F577-L636 HydrophobicContact CZ-CD1 4.11Å; F577-L636 PolarHBondContact N-O 2.86Å; F577-L636 PolarHBondContact O-N 2.82Å; F577-M638 HydrophobicContact CE1-CB 4.21Å; F577-M638 HydrophobicContact CE1-CG 3.99Å; F577-M638 HydrophobicContact CE1-SD 3.93Å; F577-M638 HydrophobicContact CZ-CE 3.89Å; F577-M638 HydrophobicContact CZ-CG 4.19Å; F577-M638 HydrophobicContact CZ-SD 3.7Å; F577-F643 HydrophobicContact CD1-CD2 4.04Å; F577-F643 AromaticContact CD1-CE2 3.96Å; F577-F643 HydrophobicContact CD1-CE2 3.96Å; F577-F643 AromaticContact CE1-CD2 3.51Å; F577-F643 HydrophobicContact CE1-CD2 3.51Å; F577-F643 AromaticContact CE1-CE2 3.81Å; F577-F643 HydrophobicContact CE1-CE2 3.81Å; F577-F643 HydrophobicContact CZ-CD2 4.01Å; F577-F643 HydrophobicContact CZ-CE2 4.22Å; F577-F646 AromaticContact CE2-CD1 3.98Å; F577-F646 HydrophobicContact CE2-CD1 3.98Å; F577-F646 AromaticContact CE2-CE1 3.39Å; F577-F646 HydrophobicContact CE2-CE1 3.39Å; F577-F646 HydrophobicContact CE2-CZ 4.12Å; F577-F646 AromaticContact CZ-CD1 3.7Å; F577-F646 HydrophobicContact CZ-CD1 3.7Å; F577-F646 AromaticContact CZ-CE1 3.6Å; F577-F646 HydrophobicContact CZ-CE1 3.6Å; F577-F646 HydrophobicContact CZ-CZ 4.44Å; F577-F655 HydrophobicContact CB-CE2 3.8Å; F577-F655 HydrophobicContact CB-CZ 4.1Å; F577-F655 HydrophobicContact CD1-CE2 4.39Å; F577-F655 HydrophobicContact CD2-CD2 4.02Å; F577-F655 AromaticContact CD2-CE2 3.49Å; F577-F655 HydrophobicContact CD2-CE2 3.49Å; F577-F655 VanDerWaalsContact CD2-CE2 3.49Å; F577-F655 HydrophobicContact CE2-CE2 4.12Å; F577-F655 AromaticContact CG-CE2 3.63Å; F577-F655 HydrophobicContact CG-CE2 3.63Å; F577-F655 HydrophobicContact CG-CZ 4.25Å; F577-R656 CarbonylContact C-O 3.52Å; F577-R656 WeakPolarHBondContact CA-O 3.33Å; F577-R656 VanDerWaalsContact CB-O 3.29Å; F577-R656 WeakPolarHBondContact CB-O 3.26Å; F577-I657 HydrophobicContact CB-CG1 4.41Å
578	K	97.1	Very high	97.1	Very high	84 Å²	84	37.3 Å²	37.3	37%	0.365	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	139	170.2	-79.8	175.4	-177.7	176.1	0	109.7	T633 V634 E635 F655 R656 L658	K578-T633 HydrophobicContact CB-CG2 3.84Å; K578-T633 HydrophobicContact CG-CG2 4.36Å; K578-V634 VanDerWaalsContact CA-O 3.29Å; K578-V634 WeakPolarHBondContact CA-O 3.39Å; K578-E635 WeakPolarHBondContact CE-OE2 3.33Å; K578-E635 HydrophobicContact CG-CB 4.02Å; K578-E635 HydrophobicContact CG-CG 4.06Å; K578-E635 IonicContact NZ-OE2 2.65Å; K578-E635 PolarHBondContact NZ-OE2 3.48Å; K578-F655 WeakPolarHBondContact O-CA 3.38Å; K578-R656 PolarHBondContact N-O 3.47Å; K578-R656 PolarHBondContact O-N 2.98Å; K578-L658 HydrophobicContact CD-CD1 4.14Å; K578-L658 HydrophobicContact CD-CD2 4.27Å; K578-L658 HydrophobicContact CG-CD1 4.06Å; K578-L658 HydrophobicContact CG-CD2 4.44Å
579	T	97.7	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	156.7	176.6	-162.1	0	0	0	0	110.3	F577 F581 V634 F646 V653	F577-T579 HydrophobicContact CD2-CG2 4.03Å; F577-T579 HydrophobicContact CE2-CG2 3.82Å; T579-F581 HydrophobicContact CG2-CB 4.48Å; T579-F581 HydrophobicContact CG2-CD1 4.36Å; T579-V634 PolarHBondContact N-O 2.84Å; T579-V634 VanDerWaalsContact N-O 3.1Å; T579-V634 WeakPolarHBondContact O-CG2 3.46Å; T579-V634 PolarHBondContact O-N 3.48Å; T579-F646 HydrophobicContact CG2-CE1 4Å; T579-F646 HydrophobicContact CG2-CZ 3.82Å; T579-V653 PolarHBondContact OG1-O 3.12Å; T579-V653 VanDerWaalsContact OG1-O 3.12Å
580	R	97	Very high	97.4	Very high	39 Å²	39	30.8 Å²	30.8	15%	0.147	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	152.9	148.1	-67.2	-175.2	-64.7	134.4	-4.2	108.9	Y582 S608 V653 D654	R580-Y582 PolarHBondContact NH1-OH 2.75Å; R580-S608 WeakPolarHBondContact CA-OG 3.35Å; R580-S608 WeakPolarHBondContact CB-OG 3.15Å; R580-V653 HydrophobicContact CB-CB 4.27Å; R580-V653 PolarHBondContact N-O 3.24Å; R580-V653 VanDerWaalsContact NH2-CG1 3.29Å; R580-V653 PolarHBondContact O-N 2.94Å; R580-D654 IonicContact CZ-OD2 3.34Å; R580-D654 IonicContact NE-OD2 3.05Å; R580-D654 PolarHBondContact NE-OD2 3.21Å; R580-D654 IonicContact NH2-OD2 2.74Å; R580-D654 PolarHBondContact NH2-OD2 3.33Å
581	F	97.7	Very high	97.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151	-179.8	63.9	-103	0	0	0	112.4	T579 I591 L605 T607 S608 V634 L636 F646 Y650 E651 L652	T579-F581 HydrophobicContact CG2-CB 4.48Å; T579-F581 HydrophobicContact CG2-CD1 4.36Å; F581-I591 HydrophobicContact CE1-CG2 3.94Å; F581-I591 HydrophobicContact CE2-CB 4.43Å; F581-I591 HydrophobicContact CE2-CG2 4.46Å; F581-I591 HydrophobicContact CZ-CB 4.11Å; F581-I591 HydrophobicContact CZ-CG2 3.67Å; F581-L605 HydrophobicContact CE2-CB 3.92Å; F581-L605 HydrophobicContact CZ-CB 3.88Å; F581-L605 HydrophobicContact CZ-CD1 4.06Å; F581-T607 VanDerWaalsContact O-CA 3.26Å; F581-T607 WeakPolarHBondContact O-CA 3.29Å; F581-T607 PolarHBondContact O-OG1 2.86Å; F581-S608 PolarHBondContact N-OG 3.35Å; F581-S608 PolarHBondContact O-N 2.78Å; F581-S608 VanDerWaalsContact O-N 3.1Å; F581-V634 HydrophobicContact CD1-CG2 4.02Å; F581-V634 HydrophobicContact CE1-CG2 3.72Å; F581-L636 HydrophobicContact CE1-CD1 4.36Å; F581-F646 HydrophobicContact CB-CE2 4.06Å; F581-F646 HydrophobicContact CB-CZ 3.82Å; F581-F646 HydrophobicContact CD1-CE2 4.1Å; F581-F646 AromaticContact CD1-CZ 3.98Å; F581-F646 HydrophobicContact CD1-CZ 3.98Å; F581-F646 HydrophobicContact CG-CE2 4.01Å; F581-F646 HydrophobicContact CG-CZ 4.07Å; F581-Y650 HydrophobicContact CB-CD1 4.22Å; F581-Y650 HydrophobicContact CB-CG 4.49Å; F581-Y650 AromaticContact CD2-CD1 3.44Å; F581-Y650 HydrophobicContact CD2-CD1 3.44Å; F581-Y650 VanDerWaalsContact CD2-CD1 3.44Å; F581-Y650 AromaticContact CD2-CE1 3.58Å; F581-Y650 HydrophobicContact CD2-CE1 3.58Å; F581-Y650 HydrophobicContact CD2-CG 4.33Å; F581-Y650 HydrophobicContact CE2-CD1 4.17Å; F581-Y650 AromaticContact CE2-CE1 3.81Å; F581-Y650 HydrophobicContact CE2-CE1 3.81Å; F581-Y650 HydrophobicContact CG-CD1 4.16Å; F581-E651 VanDerWaalsContact CA-O 3.25Å; F581-E651 WeakPolarHBondContact CA-O 3.35Å; F581-L652 HydrophobicContact CB-CD2 4.12Å
582	Y	98	Very high	97.3	Very high	67 Å²	67	29.9 Å²	29.9	26%	0.263	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.2	177.1	-57.4	-84.6	0	0	0	108.9	R580 R584 E606 T607 D609 Y650 E651 V653	R580-Y582 PolarHBondContact NH1-OH 2.75Å; Y582-R584 PolarHBondContact O-N 3.44Å; Y582-E606 CarbonylContact C-O 3.59Å; Y582-T607 WeakPolarHBondContact CE1-OG1 3.36Å; Y582-D609 VanDerWaalsContact CE1-OD2 3.31Å; Y582-D609 WeakPolarHBondContact CE1-OD2 3.25Å; Y582-D609 PolarHBondContact OH-OD1 2.87Å; Y582-D609 PolarHBondContact OH-OD2 2.91Å; Y582-Y650 CarbonylContact O-C 3.56Å; Y582-Y650 WeakPolarHBondContact O-CA 3.32Å; Y582-E651 PolarHBondContact N-O 3.43Å; Y582-E651 PolarHBondContact O-N 3.29Å; Y582-V653 HydrophobicContact CD2-CG2 3.86Å; Y582-V653 HydrophobicContact CE2-CB 4.27Å; Y582-V653 HydrophobicContact CE2-CG2 3.67Å
583	I	97.6	Very high	97	Very high	42 Å²	42	30.8 Å²	30.8	22%	0.215	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	133.5	178.4	-167.8	71.2	0	0	0	109.3	K587 P589 E606 H649 Y650	I583-K587 HydrophobicContact CD1-CB 3.95Å; I583-K587 HydrophobicContact CG1-CB 4.19Å; I583-K587 WeakPolarHBondContact CG1-O 3.38Å; I583-P589 HydrophobicContact CD1-CB 4.26Å; I583-E606 HydrophobicContact CB-CB 4.23Å; I583-E606 WeakPolarHBondContact CB-O 3.49Å; I583-E606 HydrophobicContact CG2-CB 3.72Å; I583-E606 HydrophobicContact CG2-CG 4.03Å; I583-E606 PolarHBondContact N-O 3.08Å; I583-H649 HydrophobicContact CD1-CB 4.41Å; I583-H649 WeakPolarHBondContact CD1-O 3.45Å; I583-Y650 HydrophobicContact CB-CD1 4.19Å; I583-Y650 HydrophobicContact CB-CE1 4.04Å; I583-Y650 HydrophobicContact CD1-CD1 4.02Å; I583-Y650 HydrophobicContact CD1-CD2 4.46Å; I583-Y650 HydrophobicContact CD1-CE1 3.62Å; I583-Y650 HydrophobicContact CD1-CE2 4.09Å; I583-Y650 HydrophobicContact CD1-CG 4.44Å; I583-Y650 HydrophobicContact CG1-CE1 4.44Å
584	R	97.7	Very high	96.4	Very high	79 Å²	79	35.2 Å²	35.2	30%	0.298	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-71.2	150.8	175.4	-69.6	175.8	-171	-95	-6.7	110	Y582 G586 K587 E648 H649 Y650 E651	Y582-R584 PolarHBondContact O-N 3.44Å; R584-G586 PolarHBondContact O-N 2.77Å; R584-K587 HydrophobicContact CB-CB 4.3Å; R584-K587 HydrophobicContact CB-CG 3.81Å; R584-K587 WeakPolarHBondContact O-CB 3.35Å; R584-K587 PolarHBondContact O-N 3.45Å; R584-K587 VanDerWaalsContact O-N 3.08Å; R584-E648 WeakPolarHBondContact CD-O 3.42Å; R584-H649 WeakPolarHBondContact CB-O 3.44Å; R584-H649 WeakPolarHBondContact CG-O 3.25Å; R584-H649 PolarHBondContact N-O 2.51Å; R584-Y650 PolarHBondContact NE-O 2.8Å; R584-Y650 PolarHBondContact NH2-O 3.16Å; R584-Y650 VanDerWaalsContact NH2-O 3.12Å; R584-E651 HydrophobicContact CG-CG 3.86Å; R584-E651 IonicContact CZ-OE1 3.78Å; R584-E651 IonicContact CZ-OE2 3.74Å; R584-E651 IonicContact NE-OE1 3.34Å; R584-E651 IonicContact NE-OE2 2.71Å; R584-E651 IonicContact NH1-OE1 3.88Å; R584-E651 PolarHBondContact NH1-OE1 2.99Å; R584-E651 IonicContact NH1-OE2 3.22Å; R584-E651 PolarHBondContact NH1-OE2 2.97Å; R584-E651 VanDerWaalsContact NH1-OE2 3.09Å; R584-E651 IonicContact NH2-OE1 2.77Å; R584-E651 IonicContact NH2-OE2 3.74Å; R584-E651 PolarHBondContact NH2-OE2 3.11Å
585	P	95.1	Very high	95.5	Very high	127 Å²	127	43.4 Å²	43.4	83%	0.825	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	130.4	175.6	-27.2	35.2	0	0	0	112.5	K587	P585-K587 VanDerWaalsContact C-N 3.26Å; P585-K587 PolarHBondContact O-N 3.5Å
586	G	95.1	Very high	94.7	Very high	47 Å²	47	45.5 Å²	45.5	49%	0.485	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	9.5	178.9	0	0	0	0	0	115.2	R584 Q756 Y759	R584-G586 PolarHBondContact O-N 2.77Å; G586-Q756 PolarHBondContact O-NE2 2.87Å; G586-Y759 WeakPolarHBondContact O-CD1 3.38Å
587	K	97.4	Very high	93.9	Very high	50 Å²	50	54.1 Å²	54.1	22%	0.217	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-98.3	146	176.3	-67.3	-64.4	-164.5	170.9	0	112.3	I583 R584 P585 E648 H649 Q756	I583-K587 HydrophobicContact CD1-CB 3.95Å; I583-K587 HydrophobicContact CG1-CB 4.19Å; I583-K587 WeakPolarHBondContact CG1-O 3.38Å; R584-K587 HydrophobicContact CB-CB 4.3Å; R584-K587 HydrophobicContact CB-CG 3.81Å; R584-K587 WeakPolarHBondContact O-CB 3.35Å; R584-K587 PolarHBondContact O-N 3.45Å; R584-K587 VanDerWaalsContact O-N 3.08Å; P585-K587 VanDerWaalsContact C-N 3.26Å; P585-K587 PolarHBondContact O-N 3.5Å; K587-E648 IonicContact NZ-OE1 3.67Å; K587-E648 PolarHBondContact NZ-OE1 3.09Å; K587-H649 HydrophobicContact CB-CB 4.22Å; K587-Q756 VanDerWaalsContact CA-OE1 3.29Å; K587-Q756 HydrophobicContact CD-CG 4.44Å
588	L	97.8	Very high	93.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-85.1	134.8	177.2	-67.5	169.2	0	0	0	111.1	W513 Y515 H649 A755 Q756 Y759 F767	W513-L588 HydrophobicContact CH2-CD1 4Å; W513-L588 HydrophobicContact CZ2-CB 4.25Å; Y515-L588 HydrophobicContact CD1-CD2 4.38Å; Y515-L588 HydrophobicContact CE1-CD2 3.86Å; L588-H649 PolarHBondContact O-ND1 2.97Å; L588-A755 HydrophobicContact CD1-CB 3.73Å; L588-Q756 HydrophobicContact CD1-CB 4.17Å; L588-Y759 HydrophobicContact CD1-CG 4.38Å; L588-Y759 HydrophobicContact CD2-CD1 3.82Å; L588-Y759 HydrophobicContact CD2-CD2 3.71Å; L588-Y759 HydrophobicContact CD2-CE1 4.1Å; L588-Y759 HydrophobicContact CD2-CE2 4Å; L588-Y759 HydrophobicContact CD2-CG 3.61Å; L588-Y759 HydrophobicContact CG-CD1 4.01Å; L588-Y759 HydrophobicContact CG-CG 3.97Å; L588-F767 HydrophobicContact CD1-CD1 4.02Å; L588-F767 HydrophobicContact CD1-CE1 4.19Å; L588-F767 HydrophobicContact CD1-CG 4.5Å; L588-F767 HydrophobicContact CD2-CD1 3.86Å; L588-F767 HydrophobicContact CD2-CE1 4.02Å
589	P	97.6	Very high	92.8	Very high	2 Å²	2	54 Å²	54	1%	0.013	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-76.9	145.8	177.3	32.8	-35.8	0	0	0	111.7	W513 Y515 I583 M604 L605 E606 Y650	W513-P589 PolarHBondContact NE1-O 2.81Å; Y515-P589 HydrophobicContact CD2-CG 4.36Å; Y515-P589 HydrophobicContact CE1-CG 4.05Å; Y515-P589 HydrophobicContact CE2-CG 3.57Å; Y515-P589 WeakPolarHBondContact OH-CD 3.38Å; Y515-P589 WeakPolarHBondContact OH-CG 3.35Å; I583-P589 HydrophobicContact CD1-CB 4.26Å; P589-M604 HydrophobicContact CB-CB 4.06Å; P589-M604 HydrophobicContact CG-CB 4.01Å; P589-L605 WeakPolarHBondContact CB-O 3.16Å; P589-E606 HydrophobicContact CB-CG 4.29Å; P589-E606 HydrophobicContact CG-CG 4.24Å; P589-Y650 WeakPolarHBondContact CA-OH 3.38Å; P589-Y650 WeakPolarHBondContact CB-OH 3.3Å
590	F	97.4	Very high	92.3	Very high	16 Å²	16	61.3 Å²	61.3	7%	0.07	31%	0.313	C	S	.	.			trans	-143.8	0.4	176.6	74.4	-90.4	0	0	0	114	L645 F646 H649 Y650 I752	F590-L645 HydrophobicContact CD1-CD2 4.08Å; F590-L645 HydrophobicContact CD1-CG 4.23Å; F590-L645 HydrophobicContact CD2-CD2 4.34Å; F590-L645 HydrophobicContact CE1-CB 4.18Å; F590-L645 HydrophobicContact CE1-CD2 3.87Å; F590-L645 HydrophobicContact CE1-CG 3.63Å; F590-L645 HydrophobicContact CE2-CD2 4.16Å; F590-L645 HydrophobicContact CG-CD2 4.31Å; F590-L645 HydrophobicContact CZ-CB 3.9Å; F590-L645 HydrophobicContact CZ-CD2 3.91Å; F590-L645 HydrophobicContact CZ-CG 3.81Å; F590-F646 HydrophobicContact CZ-CB 3.84Å; F590-F646 HydrophobicContact CZ-CD2 4.48Å; F590-H649 HydrophobicContact CD1-CB 4.4Å; F590-H649 HydrophobicContact CE1-CB 3.98Å; F590-Y650 AromaticContact CD1-CE2 3.85Å; F590-Y650 HydrophobicContact CD1-CE2 3.85Å; F590-Y650 HydrophobicContact CE1-CD2 4.21Å; F590-Y650 AromaticContact CE1-CE2 3.71Å; F590-Y650 HydrophobicContact CE1-CE2 3.71Å; F590-Y650 HydrophobicContact CZ-CE2 4.46Å; F590-Y650 PolarHBondContact N-OH 3.39Å; F590-I752 HydrophobicContact CB-CD1 3.59Å; F590-I752 HydrophobicContact CD2-CD1 4.35Å; F590-I752 HydrophobicContact CG-CD1 3.94Å
591	I	96.9	Very high	91.8	Very high	6 Å²	6	62 Å²	62	3%	0.031	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-80.7	125.6	177.6	-59	-53.8	0	0	0	110	F581 M604 L605 L636 M638 F646 Y650	F581-I591 HydrophobicContact CE1-CG2 3.94Å; F581-I591 HydrophobicContact CE2-CB 4.43Å; F581-I591 HydrophobicContact CE2-CG2 4.46Å; F581-I591 HydrophobicContact CZ-CB 4.11Å; F581-I591 HydrophobicContact CZ-CG2 3.67Å; I591-M604 CarbonylContact O-C 3.51Å; I591-M604 WeakPolarHBondContact O-CA 3.22Å; I591-L605 PolarHBondContact O-N 2.92Å; I591-L636 HydrophobicContact CG2-CD1 4.49Å; I591-M638 HydrophobicContact CD1-CE 3.28Å; I591-F646 HydrophobicContact CD1-CD2 3.6Å; I591-F646 HydrophobicContact CD1-CE2 4.01Å; I591-F646 HydrophobicContact CD1-CG 4.47Å; I591-F646 HydrophobicContact CG1-CD2 3.74Å; I591-F646 HydrophobicContact CG1-CE2 3.77Å; I591-Y650 HydrophobicContact CD1-CE2 4.46Å; I591-Y650 HydrophobicContact CG1-CD2 4.35Å; I591-Y650 HydrophobicContact CG1-CE1 4.46Å; I591-Y650 HydrophobicContact CG1-CE2 3.62Å; I591-Y650 PolarHBondContact N-OH 2.99Å
592	Q	93.6	Very high	91.4	Very high	35 Å²	35	66.6 Å²	66.6	16%	0.164	35%	0.352	C	S	.	.			trans	-129.1	124	177	-178.1	173.6	79.5	0	0	109.8	K594 A601 N602 M604	Q592-K594 HydrophobicContact CG-CG 4.22Å; Q592-A601 WeakPolarHBondContact CG-O 3.36Å; Q592-A601 PolarHBondContact NE2-O 3.27Å; Q592-A601 VanDerWaalsContact NE2-O 3.13Å; Q592-N602 VanDerWaalsContact NE2-CA 3.31Å; Q592-N602 PolarHBondContact NE2-O 3.13Å; Q592-M604 HydrophobicContact CB-SD 4.11Å
593	L	91.3	Very high	91.1	Very high	19 Å²	19	66.4 Å²	66.4	10%	0.099	35%	0.354	C	S	.	.			trans	-102.9	102	177.3	-67.8	177	0	0	0	109.4	Y599 L605 V634 L636	L593-Y599 HydrophobicContact CB-CD2 3.9Å; L593-Y599 HydrophobicContact CB-CG 4.25Å; L593-Y599 HydrophobicContact CD1-CD2 3.48Å; L593-Y599 VanDerWaalsContact CD1-CD2 3.48Å; L593-Y599 HydrophobicContact CD1-CE1 4.48Å; L593-Y599 HydrophobicContact CD1-CE2 3.41Å; L593-Y599 VanDerWaalsContact CD1-CE2 3.41Å; L593-Y599 HydrophobicContact CD1-CG 4.09Å; L593-Y599 HydrophobicContact CG-CD2 4.33Å; L593-L605 HydrophobicContact CB-CD1 4.13Å; L593-L605 HydrophobicContact CD1-CD1 3.61Å; L593-L605 HydrophobicContact CG-CD1 3.75Å; L593-V634 HydrophobicContact CD1-CB 4.2Å; L593-V634 HydrophobicContact CD1-CG1 3.68Å; L593-L636 HydrophobicContact CD2-CD2 3.49Å; L593-L636 VanDerWaalsContact CD2-CD2 3.49Å
594	K	86.5	Confident	91	Very high	114 Å²	114	65.2 Å²	65.2	50%	0.496	35%	0.347	S	S	.	.			trans	-85.9	154.3	173.3	-59.1	-168.7	179.2	-169.5	0	109.7	Q592 S596	Q592-K594 HydrophobicContact CG-CG 4.22Å; K594-S596 VanDerWaalsContact C-N 3.3Å; K594-S596 PolarHBondContact O-N 2.92Å
595	N	80.3	Confident	90.9	Very high	172 Å²	172	61.8 Å²	61.8	92%	0.92	34%	0.335	S	S	*	.	S	Bend	trans	62.1	31	178.1	-49.5	-30	0	0	0	114.5
596	S	81.7	Confident	91	Very high	44 Å²	44	58.5 Å²	58.5	31%	0.308	31%	0.308	S	S	.	.			trans	-114	137.2	169.4	177.6	0	0	0	0	109.7	K594 S598 Y599	K594-S596 VanDerWaalsContact C-N 3.3Å; K594-S596 PolarHBondContact O-N 2.92Å; S596-S598 PolarHBondContact O-N 2.85Å; S596-S598 PolarHBondContact OG-N 2.8Å; S596-S598 VanDerWaalsContact OG-N 3.12Å; S596-Y599 VanDerWaalsContact O-O 3.08Å; S596-Y599 WeakPolarHBondContact OG-CD2 3.44Å
597	M	81.1	Confident	91.1	Very high	193 Å²	193	57.1 Å²	57.1	95%	0.951	29%	0.291	S	S	*	.	S	Bend	trans	-72.2	-20.4	171.6	-65.9	-174.7	-70.8	0	0	112
598	S	82.9	Confident	91	Very high	57 Å²	57	54.7 Å²	54.7	40%	0.399	28%	0.28	S	S	.	.	S	Bend	trans	-83.6	-19.1	-177.3	-54	0	0	0	0	113.7	S596 H610	S596-S598 PolarHBondContact O-N 2.85Å; S596-S598 PolarHBondContact OG-N 2.8Å; S596-S598 VanDerWaalsContact OG-N 3.12Å; S598-H610 PolarHBondContact OG-CE1 2.9Å
599	Y	87.7	Confident	90.9	Very high	26 Å²	26	55.4 Å²	55.4	10%	0.102	28%	0.284	C	S	.	.	S	Bend	trans	-131.3	143.2	-174.4	-50.4	-76.1	0	0	0	111.6	L593 S596 A601 L605 S608 H610 V634	L593-Y599 HydrophobicContact CB-CD2 3.9Å; L593-Y599 HydrophobicContact CB-CG 4.25Å; L593-Y599 HydrophobicContact CD1-CD2 3.48Å; L593-Y599 VanDerWaalsContact CD1-CD2 3.48Å; L593-Y599 HydrophobicContact CD1-CE1 4.48Å; L593-Y599 HydrophobicContact CD1-CE2 3.41Å; L593-Y599 VanDerWaalsContact CD1-CE2 3.41Å; L593-Y599 HydrophobicContact CD1-CG 4.09Å; L593-Y599 HydrophobicContact CG-CD2 4.33Å; S596-Y599 VanDerWaalsContact O-O 3.08Å; S596-Y599 WeakPolarHBondContact OG-CD2 3.44Å; Y599-A601 PolarHBondContact O-N 3.3Å; Y599-L605 HydrophobicContact CD1-CD1 3.88Å; Y599-L605 HydrophobicContact CD1-CD2 3.9Å; Y599-L605 HydrophobicContact CE1-CD1 4.29Å; Y599-L605 HydrophobicContact CG-CD1 4.13Å; Y599-L605 HydrophobicContact CG-CD2 4.49Å; Y599-S608 WeakPolarHBondContact CE1-O 3.39Å; Y599-S608 PolarHBondContact OH-O 3.3Å; Y599-H610 AromaticContact CZ-CD2 3.8Å; Y599-H610 AromaticContact CZ-NE2 3.83Å; Y599-H610 PolarHBondContact OH-CD2 2.9Å; Y599-H610 PolarHBondContact OH-NE2 3.41Å; Y599-V634 HydrophobicContact CE2-CG1 4.15Å; Y599-V634 WeakPolarHBondContact OH-CG1 3.48Å
600	R	87.7	Confident	90.6	Very high	152 Å²	152	56.6 Å²	56.6	57%	0.574	29%	0.289	S	S	*	.			trans	-72.8	129.1	174.5	-63.6	-179.8	-176.8	-166.6	3	109.8	N602 E603	R600-N602 PolarHBondContact O-N 2.62Å; R600-N602 VanDerWaalsContact O-N 3.08Å; R600-E603 HydrophobicContact CB-CB 3.96Å; R600-E603 WeakPolarHBondContact O-CB 3.39Å; R600-E603 PolarHBondContact O-N 2.79Å; R600-E603 VanDerWaalsContact O-N 3.07Å
601	A	87.1	Confident	90.2	Very high	55 Å²	55	61.1 Å²	61.1	46%	0.455	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.4	-171.6	0	0	0	0	0	115.2	Q592 Y599	Q592-A601 WeakPolarHBondContact CG-O 3.36Å; Q592-A601 PolarHBondContact NE2-O 3.27Å; Q592-A601 VanDerWaalsContact NE2-O 3.13Å; Y599-A601 PolarHBondContact O-N 3.3Å
602	N	88.8	Confident	89.8	Confident	95 Å²	95	63.3 Å²	63.3	51%	0.508	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-7.2	177.9	65.3	-26.9	0	0	0	113.6	Q592 R600 Q811	Q592-N602 VanDerWaalsContact NE2-CA 3.31Å; Q592-N602 PolarHBondContact NE2-O 3.13Å; R600-N602 PolarHBondContact O-N 2.62Å; R600-N602 VanDerWaalsContact O-N 3.08Å; N602-Q811 PolarHBondContact O-NE2 3.4Å; N602-Q811 PolarHBondContact O-OE1 2.86Å
603	E	92.3	Very high	89.4	Confident	64 Å²	64	69.2 Å²	69.2	30%	0.299	34%	0.343	S	S	.	.			trans	-79.1	138.6	-176.2	-174.3	173.5	-173.7	0	0	111.7	R600 L605	R600-E603 HydrophobicContact CB-CB 3.96Å; R600-E603 WeakPolarHBondContact O-CB 3.39Å; R600-E603 PolarHBondContact O-N 2.79Å; R600-E603 VanDerWaalsContact O-N 3.07Å; E603-L605 HydrophobicContact CG-CD2 4.17Å
604	M	95.9	Very high	89.2	Confident	17 Å²	17	77 Å²	77	8%	0.084	38%	0.379	C	S	.	.			trans	-93.7	108	169.3	-63.9	-62	175.8	0	0	107.8	W513 C514 Y515 P589 I591 Q592	W513-M604 HydrophobicContact CG-CE 4.45Å; C514-M604 VanDerWaalsContact O-CE 3.29Å; C514-M604 WeakPolarHBondContact O-CE 3.3Å; Y515-M604 HydrophobicContact CD2-CB 3.65Å; Y515-M604 HydrophobicContact CD2-CG 3.6Å; Y515-M604 HydrophobicContact CE2-CB 3.91Å; Y515-M604 HydrophobicContact CE2-CG 4.37Å; Y515-M604 HydrophobicContact CG-CG 4.25Å; P589-M604 HydrophobicContact CB-CB 4.06Å; P589-M604 HydrophobicContact CG-CB 4.01Å; I591-M604 CarbonylContact O-C 3.51Å; I591-M604 WeakPolarHBondContact O-CA 3.22Å; Q592-M604 HydrophobicContact CB-SD 4.11Å
605	L	95.7	Very high	89.5	Confident	7 Å²	7	74.5 Å²	74.5	4%	0.037	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-72.9	128	-168.5	-62.4	175.9	0	0	0	111.7	F581 P589 I591 L593 Y599 E603 Y650	F581-L605 HydrophobicContact CE2-CB 3.92Å; F581-L605 HydrophobicContact CZ-CB 3.88Å; F581-L605 HydrophobicContact CZ-CD1 4.06Å; P589-L605 WeakPolarHBondContact CB-O 3.16Å; I591-L605 PolarHBondContact O-N 2.92Å; L593-L605 HydrophobicContact CB-CD1 4.13Å; L593-L605 HydrophobicContact CD1-CD1 3.61Å; L593-L605 HydrophobicContact CG-CD1 3.75Å; Y599-L605 HydrophobicContact CD1-CD1 3.88Å; Y599-L605 HydrophobicContact CD1-CD2 3.9Å; Y599-L605 HydrophobicContact CE1-CD1 4.29Å; Y599-L605 HydrophobicContact CG-CD1 4.13Å; Y599-L605 HydrophobicContact CG-CD2 4.49Å; E603-L605 HydrophobicContact CG-CD2 4.17Å; L605-Y650 WeakPolarHBondContact O-CE1 3.24Å; L605-Y650 PolarHBondContact O-OH 3.13Å
606	E	96	Very high	89.8	Confident	57 Å²	57	68.1 Å²	68.1	27%	0.266	35%	0.346	S	S	.	.	S	Bend	trans	-83.1	-24.5	167.6	-70.3	176.6	173	0	0	111.6	R518 Y582 I583 P589	R518-E606 VanDerWaalsContact CD-OE1 3.22Å; R518-E606 WeakPolarHBondContact CD-OE1 3.34Å; R518-E606 IonicContact CZ-OE2 3.28Å; R518-E606 IonicContact NH1-OE1 2.76Å; R518-E606 IonicContact NH1-OE2 2.68Å; R518-E606 PolarHBondContact NH1-OE2 2.84Å; Y582-E606 CarbonylContact C-O 3.59Å; I583-E606 HydrophobicContact CB-CB 4.23Å; I583-E606 WeakPolarHBondContact CB-O 3.49Å; I583-E606 HydrophobicContact CG2-CB 3.72Å; I583-E606 HydrophobicContact CG2-CG 4.03Å; I583-E606 PolarHBondContact N-O 3.08Å; P589-E606 HydrophobicContact CB-CG 4.29Å; P589-E606 HydrophobicContact CG-CG 4.24Å
607	T	96.6	Very high	90.3	Very high	18 Å²	18	71.9 Å²	71.9	11%	0.11	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-146.5	155.3	178.5	179.8	0	0	0	0	111.2	F581 Y582 D609 Y618	F581-T607 VanDerWaalsContact O-CA 3.26Å; F581-T607 WeakPolarHBondContact O-CA 3.29Å; F581-T607 PolarHBondContact O-OG1 2.86Å; Y582-T607 WeakPolarHBondContact CE1-OG1 3.36Å; T607-D609 VanDerWaalsContact C-N 3.32Å; T607-D609 HydrophobicContact CG2-CB 4.08Å; T607-D609 WeakPolarHBondContact OG1-CB 3.23Å; T607-D609 PolarHBondContact OG1-N 2.99Å; T607-Y618 HydrophobicContact CG2-CD1 3.49Å; T607-Y618 VanDerWaalsContact CG2-CD1 3.49Å; T607-Y618 HydrophobicContact CG2-CE1 3.62Å; T607-Y618 HydrophobicContact CG2-CG 4.08Å
608	S	96	Very high	90.9	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-80	-14.3	167.6	57.4	0	0	0	0	113.2	R580 F581 Y599 A632	R580-S608 WeakPolarHBondContact CA-OG 3.35Å; R580-S608 WeakPolarHBondContact CB-OG 3.15Å; F581-S608 PolarHBondContact N-OG 3.35Å; F581-S608 PolarHBondContact O-N 2.78Å; F581-S608 VanDerWaalsContact O-N 3.1Å; Y599-S608 WeakPolarHBondContact CE1-O 3.39Å; Y599-S608 PolarHBondContact OH-O 3.3Å; S608-A632 WeakPolarHBondContact CB-O 3.37Å; S608-A632 PolarHBondContact OG-O 3.38Å
609	D	95.1	Very high	91.4	Very high	15 Å²	15	68.3 Å²	68.3	8%	0.08	33%	0.325	C	S	.	.	S	Bend	trans	-58.5	148.8	-179	-70.3	-1.3	0	0	0	111.5	Y582 T607 Y618 Y619 P620	Y582-D609 VanDerWaalsContact CE1-OD2 3.31Å; Y582-D609 WeakPolarHBondContact CE1-OD2 3.25Å; Y582-D609 PolarHBondContact OH-OD1 2.87Å; Y582-D609 PolarHBondContact OH-OD2 2.91Å; T607-D609 VanDerWaalsContact C-N 3.32Å; T607-D609 HydrophobicContact CG2-CB 4.08Å; T607-D609 WeakPolarHBondContact OG1-CB 3.23Å; T607-D609 PolarHBondContact OG1-N 2.99Å; D609-Y618 HydrophobicContact CB-CD1 4.13Å; D609-Y618 WeakPolarHBondContact O-CD1 3.41Å; D609-Y619 WeakPolarHBondContact CB-O 3.23Å; D609-P620 WeakPolarHBondContact OD1-CA 3.49Å
610	H	91.3	Very high	91.6	Very high	26 Å²	26	69.5 Å²	69.5	12%	0.12	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.3	-177.2	-77.4	-164.9	0	0	0	110.9	S598 Y599 Y618 Y619 Y622	S598-H610 PolarHBondContact OG-CE1 2.9Å; Y599-H610 AromaticContact CZ-CD2 3.8Å; Y599-H610 AromaticContact CZ-NE2 3.83Å; Y599-H610 PolarHBondContact OH-CD2 2.9Å; Y599-H610 PolarHBondContact OH-NE2 3.41Å; H610-Y618 CarbonylContact O-C 3.6Å; H610-Y618 WeakPolarHBondContact O-CA 3.46Å; H610-Y619 PolarHBondContact N-O 3.47Å; H610-Y619 PolarHBondContact O-N 3.2Å; H610-Y622 AromaticContact CE1-CD1 3.27Å; H610-Y622 WeakPolarHBondContact CE1-CD1 3.44Å; H610-Y622 AromaticContact CE1-CD2 3.74Å; H610-Y622 AromaticContact CE1-CE1 3.45Å; H610-Y622 VanDerWaalsContact CE1-CE1 3.45Å; H610-Y622 WeakPolarHBondContact CE1-CE1 3.25Å; H610-Y622 AromaticContact CE1-CE2 3.91Å; H610-Y622 AromaticContact CE1-CG 3.44Å; H610-Y622 VanDerWaalsContact CE1-CG 3.44Å; H610-Y622 AromaticContact CE1-CZ 3.77Å; H610-Y622 AromaticContact ND1-CD1 3.51Å; H610-Y622 AromaticContact ND1-CD2 3.9Å; H610-Y622 AromaticContact ND1-CG 3.36Å; H610-Y622 AromaticContact NE2-CD1 3.88Å; H610-Y622 AromaticContact NE2-CE1 3.89Å
611	Y	90	Very high	91.8	Very high	112 Å²	112	65.3 Å²	65.3	44%	0.439	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	118.9	174.9	-175.5	-107	0	0	0	110.8	K613 G616 Y618	Y611-K613 HydrophobicContact CD1-CG 4.04Å; Y611-K613 HydrophobicContact CE1-CB 4.45Å; Y611-K613 HydrophobicContact CE1-CG 3.92Å; Y611-G616 WeakPolarHBondContact CE2-O 3.25Å; Y611-G616 WeakPolarHBondContact OH-CA 3.37Å; Y611-Y618 HydrophobicContact CD2-CD1 4.43Å; Y611-Y618 AromaticContact CD2-CD2 3.94Å; Y611-Y618 HydrophobicContact CD2-CD2 3.94Å; Y611-Y618 HydrophobicContact CD2-CE1 4.1Å; Y611-Y618 AromaticContact CD2-CE2 3.53Å; Y611-Y618 HydrophobicContact CD2-CE2 3.53Å; Y611-Y618 HydrophobicContact CD2-CG 4.37Å; Y611-Y618 AromaticContact CD2-CZ 3.62Å; Y611-Y618 HydrophobicContact CE2-CE2 4.12Å; Y611-Y618 HydrophobicContact CG-CE1 4.34Å; Y611-Y618 HydrophobicContact CG-CE2 4.49Å
612	N	87.9	Confident	92	Very high	51 Å²	51	66.2 Å²	66.2	27%	0.273	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.8	168.6	-177	6.5	0	0	0	109.6	E614 D615 G616 K617 Y619	N612-E614 VanDerWaalsContact C-N 3.3Å; N612-E614 PolarHBondContact O-N 3.35Å; N612-E614 PolarHBondContact OD1-N 2.95Å; N612-D615 WeakPolarHBondContact CB-OD1 3.3Å; N612-D615 VanDerWaalsContact ND2-CG 3.33Å; N612-D615 PolarHBondContact ND2-OD2 3.17Å; N612-G616 VanDerWaalsContact O-CA 3.28Å; N612-G616 WeakPolarHBondContact O-CA 3.4Å; N612-G616 PolarHBondContact O-N 3.24Å; N612-K617 PolarHBondContact N-O 3.45Å; N612-K617 PolarHBondContact O-N 3.47Å; N612-Y619 HydrophobicContact CB-CD2 4.02Å; N612-Y619 HydrophobicContact CB-CE2 3.85Å
613	K	84.8	Confident	91.9	Very high	159 Å²	159	69.8 Å²	69.8	69%	0.691	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-26.5	179.6	-68.7	-178	-178.8	176.4	0	113	Y611	Y611-K613 HydrophobicContact CD1-CG 4.04Å; Y611-K613 HydrophobicContact CE1-CB 4.45Å; Y611-K613 HydrophobicContact CE1-CG 3.92Å
614	E	87.5	Confident	91.7	Very high	183 Å²	183	67.9 Å²	67.9	86%	0.855	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-38.9	-173.9	-64.3	-178.6	171.6	0	0	112.4	N612	N612-E614 VanDerWaalsContact C-N 3.3Å; N612-E614 PolarHBondContact O-N 3.35Å; N612-E614 PolarHBondContact OD1-N 2.95Å
615	D	92.2	Very high	91.2	Very high	62 Å²	62	75.2 Å²	75.2	33%	0.332	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-7.4	-179.8	59.2	31.2	0	0	0	113.8	N612 K617 Y619	N612-D615 WeakPolarHBondContact CB-OD1 3.3Å; N612-D615 VanDerWaalsContact ND2-CG 3.33Å; N612-D615 PolarHBondContact ND2-OD2 3.17Å; D615-K617 VanDerWaalsContact C-N 3.34Å; D615-K617 PolarHBondContact O-N 2.73Å; D615-K617 WeakPolarHBondContact OD1-CB 3.42Å; D615-K617 PolarHBondContact OD1-N 3.02Å; D615-Y619 WeakPolarHBondContact OD2-CE2 3.18Å; D615-Y619 PolarHBondContact OD2-OH 2.68Å
616	G	88.3	Confident	90.9	Very high	37 Å²	37	81.3 Å²	81.3	38%	0.381	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	20.5	179.6	0	0	0	0	0	114.8	Y611 N612	Y611-G616 WeakPolarHBondContact CE2-O 3.25Å; Y611-G616 WeakPolarHBondContact OH-CA 3.37Å; N612-G616 VanDerWaalsContact O-CA 3.28Å; N612-G616 WeakPolarHBondContact O-CA 3.4Å; N612-G616 PolarHBondContact O-N 3.24Å
617	K	91.8	Very high	90.5	Very high	124 Å²	124	80.8 Å²	80.8	54%	0.539	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	156.1	-175	-63.9	175.6	-175.8	173.1	0	112.8	N612 D615 Y619	N612-K617 PolarHBondContact N-O 3.45Å; N612-K617 PolarHBondContact O-N 3.47Å; D615-K617 VanDerWaalsContact C-N 3.34Å; D615-K617 PolarHBondContact O-N 2.73Å; D615-K617 WeakPolarHBondContact OD1-CB 3.42Å; D615-K617 PolarHBondContact OD1-N 3.02Å; K617-Y619 HydrophobicContact CB-CD2 4.47Å; K617-Y619 HydrophobicContact CB-CE2 3.74Å
618	Y	92.7	Very high	90.3	Very high	84 Å²	84	84.2 Å²	84.2	33%	0.329	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.4	171.9	-76.3	-88.5	0	0	0	110.3	T607 D609 H610 Y611	T607-Y618 HydrophobicContact CG2-CD1 3.49Å; T607-Y618 VanDerWaalsContact CG2-CD1 3.49Å; T607-Y618 HydrophobicContact CG2-CE1 3.62Å; T607-Y618 HydrophobicContact CG2-CG 4.08Å; D609-Y618 HydrophobicContact CB-CD1 4.13Å; D609-Y618 WeakPolarHBondContact O-CD1 3.41Å; H610-Y618 CarbonylContact O-C 3.6Å; H610-Y618 WeakPolarHBondContact O-CA 3.46Å; Y611-Y618 HydrophobicContact CD2-CD1 4.43Å; Y611-Y618 AromaticContact CD2-CD2 3.94Å; Y611-Y618 HydrophobicContact CD2-CD2 3.94Å; Y611-Y618 HydrophobicContact CD2-CE1 4.1Å; Y611-Y618 AromaticContact CD2-CE2 3.53Å; Y611-Y618 HydrophobicContact CD2-CE2 3.53Å; Y611-Y618 HydrophobicContact CD2-CG 4.37Å; Y611-Y618 AromaticContact CD2-CZ 3.62Å; Y611-Y618 HydrophobicContact CE2-CE2 4.12Å; Y611-Y618 HydrophobicContact CG-CE1 4.34Å; Y611-Y618 HydrophobicContact CG-CE2 4.49Å
619	Y	93.2	Very high	90.1	Very high	90 Å²	90	89.1 Å²	89.1	35%	0.353	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.8	179.9	-70.2	-89.7	0	0	0	111.2	D609 H610 N612 D615 K617 V621	D609-Y619 WeakPolarHBondContact CB-O 3.23Å; H610-Y619 PolarHBondContact N-O 3.47Å; H610-Y619 PolarHBondContact O-N 3.2Å; N612-Y619 HydrophobicContact CB-CD2 4.02Å; N612-Y619 HydrophobicContact CB-CE2 3.85Å; D615-Y619 WeakPolarHBondContact OD2-CE2 3.18Å; D615-Y619 PolarHBondContact OD2-OH 2.68Å; K617-Y619 HydrophobicContact CB-CD2 4.47Å; K617-Y619 HydrophobicContact CB-CE2 3.74Å; Y619-V621 WeakPolarHBondContact CB-O 3.48Å; Y619-V621 PolarHBondContact O-N 3.11Å
620	P	93.2	Very high	89.9	Confident	52 Å²	52	92.7 Å²	92.7	34%	0.338	46%	0.459	S	S	.	.	S	Bend	trans	-77.1	-5.4	179	32.7	-36.5	0	0	0	113.2	D609 P631 A632	D609-P620 WeakPolarHBondContact OD1-CA 3.49Å; P620-P631 CarbonylContact O-C 3.47Å; P620-P631 WeakPolarHBondContact O-CA 3.18Å; P620-A632 PolarHBondContact O-N 3.14Å
621	V	92.4	Very high	89.9	Confident	63 Å²	63	94.5 Å²	94.5	38%	0.382	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.8	178.8	-64.5	0	0	0	0	109.4	Y619 L629 K630	Y619-V621 WeakPolarHBondContact CB-O 3.48Å; Y619-V621 PolarHBondContact O-N 3.11Å; V621-L629 HydrophobicContact CB-CD1 3.83Å; V621-L629 HydrophobicContact CB-CG 4.2Å; V621-L629 HydrophobicContact CG2-CD1 3.85Å; V621-K630 CarbonylContact C-O 3.56Å; V621-K630 WeakPolarHBondContact CA-O 3.39Å
622	Y	89.4	Confident	90	Very high	75 Å²	75	89.2 Å²	89.2	29%	0.294	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.7	177.6	69.2	-81.7	0	0	0	110.3	H610 D624 K630 P631	H610-Y622 AromaticContact CE1-CD1 3.27Å; H610-Y622 WeakPolarHBondContact CE1-CD1 3.44Å; H610-Y622 AromaticContact CE1-CD2 3.74Å; H610-Y622 AromaticContact CE1-CE1 3.45Å; H610-Y622 VanDerWaalsContact CE1-CE1 3.45Å; H610-Y622 WeakPolarHBondContact CE1-CE1 3.25Å; H610-Y622 AromaticContact CE1-CE2 3.91Å; H610-Y622 AromaticContact CE1-CG 3.44Å; H610-Y622 VanDerWaalsContact CE1-CG 3.44Å; H610-Y622 AromaticContact CE1-CZ 3.77Å; H610-Y622 AromaticContact ND1-CD1 3.51Å; H610-Y622 AromaticContact ND1-CD2 3.9Å; H610-Y622 AromaticContact ND1-CG 3.36Å; H610-Y622 AromaticContact NE2-CD1 3.88Å; H610-Y622 AromaticContact NE2-CE1 3.89Å; Y622-D624 HydrophobicContact CE2-CB 4.36Å; Y622-K630 HydrophobicContact CD1-CB 4.47Å; Y622-K630 WeakPolarHBondContact CD1-O 3.41Å; Y622-K630 HydrophobicContact CE1-CB 3.98Å; Y622-K630 HydrophobicContact CE2-CB 4.45Å; Y622-K630 PolarHBondContact N-O 3.23Å; Y622-K630 PolarHBondContact O-N 3.47Å; Y622-P631 WeakPolarHBondContact CE1-O 3.25Å
623	Y	88.5	Confident	90.3	Very high	169 Å²	169	88.9 Å²	88.9	66%	0.663	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.4	169.5	-67.3	-78.7	0	0	0	109.3	G627 N628 L629	Y623-G627 WeakPolarHBondContact CD1-O 3.44Å; Y623-N628 WeakPolarHBondContact CA-O 3.04Å; Y623-L629 HydrophobicContact CD1-CB 4.34Å; Y623-L629 HydrophobicContact CD1-CD1 4.34Å; Y623-L629 HydrophobicContact CE1-CB 4.06Å; Y623-L629 HydrophobicContact CE1-CD1 4.02Å; Y623-L629 HydrophobicContact CE2-CD1 4.27Å
624	D	86.9	Confident	90.8	Very high	24 Å²	24	81.8 Å²	81.8	13%	0.128	42%	0.422	C	S	.	.			trans	-74.7	179.6	169.9	68.2	13.8	0	0	0	112	Y622 D626 G627 N628 K630	Y622-D624 HydrophobicContact CE2-CB 4.36Å; D624-D626 PolarHBondContact O-N 2.84Å; D624-D626 VanDerWaalsContact O-N 3.15Å; D624-D626 WeakPolarHBondContact OD1-CA 3.41Å; D624-D626 PolarHBondContact OD1-N 2.9Å; D624-G627 PolarHBondContact O-N 3.14Å; D624-G627 PolarHBondContact OD1-N 3.17Å; D624-N628 PolarHBondContact N-O 2.99Å; D624-N628 WeakPolarHBondContact OD1-CB 3.35Å; D624-N628 PolarHBondContact OD1-N 3.19Å; D624-K630 HydrophobicContact CB-CD 4.1Å; D624-K630 WeakPolarHBondContact OD2-CD 3.3Å; D624-K630 WeakPolarHBondContact OD2-CE 3.44Å; D624-K630 IonicContact OD2-NZ 3.79Å; D624-K630 PolarHBondContact OD2-NZ 2.96Å
625	L	84.8	Confident	91.1	Very high	172 Å²	172	76.4 Å²	76.4	90%	0.901	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.5	-179	-66.6	174.2	0	0	0	113.3	G627	L625-G627 VanDerWaalsContact C-N 3.33Å
626	D	90.1	Very high	91.3	Very high	134 Å²	134	73.8 Å²	73.8	72%	0.717	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	3.1	178.8	-58.1	-47.4	0	0	0	112	D624 N628	D624-D626 PolarHBondContact O-N 2.84Å; D624-D626 VanDerWaalsContact O-N 3.15Å; D624-D626 WeakPolarHBondContact OD1-CA 3.41Å; D624-D626 PolarHBondContact OD1-N 2.9Å; D626-N628 VanDerWaalsContact C-N 3.32Å; D626-N628 WeakPolarHBondContact CB-ND2 3.05Å
627	G	88.3	Confident	91.7	Very high	47 Å²	47	72.5 Å²	72.5	49%	0.485	37%	0.368	S	S	.	.	S	Bend	trans	77.5	13.7	-178.8	0	0	0	0	0	114.2	Y623 D624 L625	Y623-G627 WeakPolarHBondContact CD1-O 3.44Å; D624-G627 PolarHBondContact O-N 3.14Å; D624-G627 PolarHBondContact OD1-N 3.17Å; L625-G627 VanDerWaalsContact C-N 3.33Å
628	N	91.9	Very high	92	Very high	89 Å²	89	67.2 Å²	67.2	48%	0.476	35%	0.345	S	S	.	.			trans	-85.6	133.4	176.9	-59.4	-65.9	0	0	0	110.7	Y623 D624 D626 K630	Y623-N628 WeakPolarHBondContact CA-O 3.04Å; D624-N628 PolarHBondContact N-O 2.99Å; D624-N628 WeakPolarHBondContact OD1-CB 3.35Å; D624-N628 PolarHBondContact OD1-N 3.19Å; D626-N628 VanDerWaalsContact C-N 3.32Å; D626-N628 WeakPolarHBondContact CB-ND2 3.05Å; N628-K630 PolarHBondContact O-N 3.11Å
629	L	92	Very high	92.3	Very high	104 Å²	104	63.2 Å²	63.2	55%	0.545	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	115.7	173.7	-170.7	70	0	0	0	109.9	V621 Y623	V621-L629 HydrophobicContact CB-CD1 3.83Å; V621-L629 HydrophobicContact CB-CG 4.2Å; V621-L629 HydrophobicContact CG2-CD1 3.85Å; Y623-L629 HydrophobicContact CD1-CB 4.34Å; Y623-L629 HydrophobicContact CD1-CD1 4.34Å; Y623-L629 HydrophobicContact CE1-CB 4.06Å; Y623-L629 HydrophobicContact CE1-CD1 4.02Å; Y623-L629 HydrophobicContact CE2-CD1 4.27Å
630	K	90.2	Very high	92.6	Very high	90 Å²	90	60.9 Å²	60.9	39%	0.391	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.5	177.5	-74.2	-172.7	171.2	155.3	0	111.1	V621 Y622 D624 N628	V621-K630 CarbonylContact C-O 3.56Å; V621-K630 WeakPolarHBondContact CA-O 3.39Å; Y622-K630 HydrophobicContact CD1-CB 4.47Å; Y622-K630 WeakPolarHBondContact CD1-O 3.41Å; Y622-K630 HydrophobicContact CE1-CB 3.98Å; Y622-K630 HydrophobicContact CE2-CB 4.45Å; Y622-K630 PolarHBondContact N-O 3.23Å; Y622-K630 PolarHBondContact O-N 3.47Å; D624-K630 HydrophobicContact CB-CD 4.1Å; D624-K630 WeakPolarHBondContact OD2-CD 3.3Å; D624-K630 WeakPolarHBondContact OD2-CE 3.44Å; D624-K630 IonicContact OD2-NZ 3.79Å; D624-K630 PolarHBondContact OD2-NZ 2.96Å; N628-K630 PolarHBondContact O-N 3.11Å
631	P	92	Very high	92.8	Very high	64 Å²	64	59.2 Å²	59.2	42%	0.416	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	150.6	168.9	30.6	-34.5	0	0	0	109.9	P620 Y622 T633	P620-P631 CarbonylContact O-C 3.47Å; P620-P631 WeakPolarHBondContact O-CA 3.18Å; Y622-P631 WeakPolarHBondContact CE1-O 3.25Å; P631-T633 WeakPolarHBondContact CG-OG1 3.41Å; P631-T633 PolarHBondContact O-N 2.86Å
632	A	92.4	Very high	93.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.			trans	-71.7	39.1	174.1	0	0	0	0	0	112.6	S608 P620	S608-A632 WeakPolarHBondContact CB-O 3.37Å; S608-A632 PolarHBondContact OG-O 3.38Å; P620-A632 PolarHBondContact O-N 3.14Å
633	T	93.6	Very high	93.5	Very high	44 Å²	44	53.2 Å²	53.2	27%	0.27	28%	0.281	S	S	.	.			trans	-76.2	129.6	179.8	-60	0	0	0	0	109.3	K578 P631	K578-T633 HydrophobicContact CB-CG2 3.84Å; K578-T633 HydrophobicContact CG-CG2 4.36Å; P631-T633 WeakPolarHBondContact CG-OG1 3.41Å; P631-T633 PolarHBondContact O-N 2.86Å
634	V	94.5	Very high	93.9	Very high	11 Å²	11	47.3 Å²	47.3	7%	0.067	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	150.2	178	-59.4	0	0	0	0	110.6	K578 T579 F581 L593 Y599 L636	K578-V634 VanDerWaalsContact CA-O 3.29Å; K578-V634 WeakPolarHBondContact CA-O 3.39Å; T579-V634 PolarHBondContact N-O 2.84Å; T579-V634 VanDerWaalsContact N-O 3.1Å; T579-V634 WeakPolarHBondContact O-CG2 3.46Å; T579-V634 PolarHBondContact O-N 3.48Å; F581-V634 HydrophobicContact CD1-CG2 4.02Å; F581-V634 HydrophobicContact CE1-CG2 3.72Å; L593-V634 HydrophobicContact CD1-CB 4.2Å; L593-V634 HydrophobicContact CD1-CG1 3.68Å; Y599-V634 HydrophobicContact CE2-CG1 4.15Å; Y599-V634 WeakPolarHBondContact OH-CG1 3.48Å; V634-L636 HydrophobicContact CG2-CD1 3.87Å; V634-L636 HydrophobicContact CG2-CG 3.98Å
635	E	95.3	Very high	94.5	Very high	69 Å²	69	46.2 Å²	46.2	32%	0.322	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.8	171.5	-169.1	179.1	127.1	0	0	109.4	R576 F577 K578 L658	R576-E635 WeakPolarHBondContact CD-OE1 3.21Å; R576-E635 HydrophobicContact CG-CG 4.2Å; R576-E635 IonicContact CZ-OE1 3.47Å; R576-E635 IonicContact NE-OE1 2.98Å; R576-E635 IonicContact NH1-OE1 3.96Å; R576-E635 PolarHBondContact NH1-OE1 3.37Å; R576-E635 IonicContact NH1-OE2 3.92Å; F577-E635 WeakPolarHBondContact O-CA 3.5Å; K578-E635 WeakPolarHBondContact CE-OE2 3.33Å; K578-E635 HydrophobicContact CG-CB 4.02Å; K578-E635 HydrophobicContact CG-CG 4.06Å; K578-E635 IonicContact NZ-OE2 2.65Å; K578-E635 PolarHBondContact NZ-OE2 3.48Å; E635-L658 HydrophobicContact CG-CD1 4.13Å
636	L	96.1	Very high	95.1	Very high	7 Å²	7	38 Å²	38	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.9	-175.5	-68.3	168.7	0	0	0	109.5	R576 F577 F581 I591 L593 V634 M638 F646	R576-L636 VanDerWaalsContact CA-O 3.29Å; R576-L636 WeakPolarHBondContact CA-O 3.5Å; F577-L636 HydrophobicContact CD2-CB 4.45Å; F577-L636 HydrophobicContact CE1-CB 4.22Å; F577-L636 HydrophobicContact CE2-CB 3.86Å; F577-L636 HydrophobicContact CE2-CD1 3.91Å; F577-L636 HydrophobicContact CE2-CG 4.45Å; F577-L636 HydrophobicContact CZ-CB 3.75Å; F577-L636 HydrophobicContact CZ-CD1 4.11Å; F577-L636 PolarHBondContact N-O 2.86Å; F577-L636 PolarHBondContact O-N 2.82Å; F581-L636 HydrophobicContact CE1-CD1 4.36Å; I591-L636 HydrophobicContact CG2-CD1 4.49Å; L593-L636 HydrophobicContact CD2-CD2 3.49Å; L593-L636 VanDerWaalsContact CD2-CD2 3.49Å; V634-L636 HydrophobicContact CG2-CD1 3.87Å; V634-L636 HydrophobicContact CG2-CG 3.98Å; L636-M638 HydrophobicContact CB-CE 4.34Å; L636-M638 HydrophobicContact CD1-CE 3.89Å; L636-F646 HydrophobicContact CD1-CZ 4.23Å
637	T	97.5	Very high	95.5	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.6	166.1	-51.5	0	0	0	0	108.1	R507 S508 V575	R507-T637 HydrophobicContact CB-CG2 4.25Å; S508-T637 WeakPolarHBondContact CA-O 3.41Å; V575-T637 WeakPolarHBondContact O-CA 3.47Å
638	M	98.1	Very high	95.9	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.059	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.6	-176.8	-70.3	-173.1	-179.1	0	0	111.5	F574 V575 F577 I591 L636 D642 F643 F646	F574-M638 CarbonylContact C-O 3.57Å; F574-M638 VanDerWaalsContact CA-O 3.27Å; F574-M638 WeakPolarHBondContact CA-O 3.38Å; V575-M638 PolarHBondContact N-O 2.79Å; V575-M638 PolarHBondContact O-N 2.87Å; F577-M638 HydrophobicContact CE1-CB 4.21Å; F577-M638 HydrophobicContact CE1-CG 3.99Å; F577-M638 HydrophobicContact CE1-SD 3.93Å; F577-M638 HydrophobicContact CZ-CE 3.89Å; F577-M638 HydrophobicContact CZ-CG 4.19Å; F577-M638 HydrophobicContact CZ-SD 3.7Å; I591-M638 HydrophobicContact CD1-CE 3.28Å; L636-M638 HydrophobicContact CB-CE 4.34Å; L636-M638 HydrophobicContact CD1-CE 3.89Å; M638-D642 HydrophobicContact CB-CB 4.17Å; M638-D642 HydrophobicContact CG-CB 4.33Å; M638-D642 HydrophobicContact SD-CB 4.25Å; M638-F643 HydrophobicContact CB-CB 4.11Å; M638-F643 HydrophobicContact SD-CB 4.48Å; M638-F646 HydrophobicContact CE-CB 4.18Å; M638-F646 HydrophobicContact CE-CD1 4.31Å; M638-F646 HydrophobicContact CE-CD2 4.01Å; M638-F646 HydrophobicContact CE-CE2 4.46Å; M638-F646 HydrophobicContact CE-CG 3.91Å; M638-F646 HydrophobicContact SD-CB 3.79Å; M638-F646 HydrophobicContact SD-CD1 4.26Å; M638-F646 HydrophobicContact SD-CG 4.01Å
639	T	98.6	Very high	96.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	161.2	161.8	70.5	0	0	0	0	110.4	Y572 Y573 F574 T641 D642 F643 S741 S745	Y572-T639 HydrophobicContact CE1-CG2 4.32Å; Y572-T639 VanDerWaalsContact OH-CB 3.27Å; Y572-T639 WeakPolarHBondContact OH-CB 3.43Å; Y573-T639 CarbonylContact O-C 3.59Å; F574-T639 HydrophobicContact CD1-CG2 4.06Å; F574-T639 HydrophobicContact CE1-CG2 3.76Å; T639-T641 PolarHBondContact O-N 3.18Å; T639-T641 PolarHBondContact OG1-N 3.35Å; T639-D642 PolarHBondContact O-N 3.46Å; T639-D642 PolarHBondContact OG1-N 2.88Å; T639-D642 PolarHBondContact OG1-OD2 2.96Å; T639-F643 VanDerWaalsContact O-CB 3.24Å; T639-F643 WeakPolarHBondContact O-CB 3.39Å; T639-F643 PolarHBondContact O-N 2.98Å; T639-S741 VanDerWaalsContact CG2-OG 3.26Å; T639-S741 WeakPolarHBondContact CG2-OG 3.45Å; T639-S745 WeakPolarHBondContact OG1-CB 3.45Å; T639-S745 PolarHBondContact OG1-OG 3.05Å
640	M	98.1	Very high	96.6	Very high	41 Å²	41	27.9 Å²	27.9	20%	0.202	15%	0.148	C	C	.	.	H	α-helix	trans	-56.1	-34	173.7	66.1	174.3	-68.6	0	0	113.4	Y572 Y573 A644	Y572-M640 HydrophobicContact CD2-CG 3.98Å; Y572-M640 HydrophobicContact CD2-SD 3.74Å; Y572-M640 HydrophobicContact CE1-CG 4.38Å; Y572-M640 HydrophobicContact CE2-CG 3.8Å; Y572-M640 HydrophobicContact CE2-SD 4.13Å; Y572-M640 HydrophobicContact CG-CG 4.34Å; Y572-M640 HydrophobicContact CG-SD 4.09Å; Y573-M640 HydrophobicContact CD1-CB 3.59Å; Y573-M640 HydrophobicContact CD1-CE 4.47Å; Y573-M640 HydrophobicContact CD1-CG 4.38Å; Y573-M640 HydrophobicContact CD1-SD 4.08Å; Y573-M640 HydrophobicContact CD2-CB 3.89Å; Y573-M640 HydrophobicContact CE1-CB 3.33Å; Y573-M640 HydrophobicContact CE1-CE 4.07Å; Y573-M640 HydrophobicContact CE1-CG 4.35Å; Y573-M640 HydrophobicContact CE1-SD 4.21Å; Y573-M640 HydrophobicContact CE2-CB 3.63Å; Y573-M640 HydrophobicContact CG-CB 3.86Å; Y573-M640 PolarHBondContact O-N 3.45Å; M640-A644 WeakPolarHBondContact O-CB 3.25Å; M640-A644 PolarHBondContact O-N 2.71Å
641	T	98	Very high	96.9	Very high	17 Å²	17	27.7 Å²	27.7	10%	0.104	15%	0.148	C	C	.	.	H	α-helix	trans	-71	-50.5	-179.2	-58.7	0	0	0	0	111	T639 F643 A644 L645 S745 Y746 N749	T639-T641 PolarHBondContact O-N 3.18Å; T639-T641 PolarHBondContact OG1-N 3.35Å; T641-F643 VanDerWaalsContact C-N 3.3Å; T641-F643 PolarHBondContact O-N 3.35Å; T641-A644 PolarHBondContact O-N 2.86Å; T641-L645 PolarHBondContact O-N 2.7Å; T641-L645 VanDerWaalsContact O-N 3.1Å; T641-S745 VanDerWaalsContact CB-OG 3.31Å; T641-S745 WeakPolarHBondContact CB-OG 3.29Å; T641-Y746 HydrophobicContact CG2-CD1 3.88Å; T641-Y746 HydrophobicContact CG2-CE1 4.16Å; T641-Y746 VanDerWaalsContact OG1-CE1 3.23Å; T641-Y746 WeakPolarHBondContact OG1-CE1 3.31Å; T641-N749 HydrophobicContact CG2-CB 3.7Å
642	D	98.4	Very high	97.2	Very high	8 Å²	8	26.9 Å²	26.9	4%	0.043	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-37.2	175.7	-62.5	-45	0	0	0	111.2	M638 T639 A644 L645 F646 S745 R748	M638-D642 HydrophobicContact CB-CB 4.17Å; M638-D642 HydrophobicContact CG-CB 4.33Å; M638-D642 HydrophobicContact SD-CB 4.25Å; T639-D642 PolarHBondContact O-N 3.46Å; T639-D642 PolarHBondContact OG1-N 2.88Å; T639-D642 PolarHBondContact OG1-OD2 2.96Å; D642-A644 VanDerWaalsContact C-N 3.34Å; D642-A644 PolarHBondContact O-N 3.14Å; D642-L645 PolarHBondContact O-N 3.23Å; D642-F646 VanDerWaalsContact O-CB 3.26Å; D642-F646 WeakPolarHBondContact O-CB 3.45Å; D642-F646 PolarHBondContact O-N 3.08Å; D642-S745 PolarHBondContact N-OG 3.23Å; D642-S745 PolarHBondContact OD1-OG 3.02Å; D642-S745 VanDerWaalsContact OD2-CB 3.31Å; D642-S745 WeakPolarHBondContact OD2-CB 3.32Å; D642-S745 PolarHBondContact OD2-OG 3.47Å; D642-R748 VanDerWaalsContact CG-NH2 3.27Å; D642-R748 IonicContact OD1-CZ 2.62Å; D642-R748 IonicContact OD1-NE 3.65Å; D642-R748 PolarHBondContact OD1-NE 3.14Å; D642-R748 IonicContact OD1-NH2 3.31Å; D642-R748 PolarHBondContact OD1-NH2 3.03Å; D642-R748 VanDerWaalsContact OD1-NH2 3.1Å; D642-R748 IonicContact OD2-CZ 3.59Å; D642-R748 IonicContact OD2-NH2 3.95Å; D642-R748 PolarHBondContact OD2-NH2 3.1Å
643	F	98.2	Very high	97.4	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-37.7	178	-178.4	-115.6	0	0	0	112.3	I562 Y573 V575 F577 M638 T639 T641 F646 K647 F655	I562-F643 HydrophobicContact CD1-CD1 4.44Å; I562-F643 HydrophobicContact CD1-CE1 3.87Å; Y573-F643 HydrophobicContact CE2-CD1 4.47Å; V575-F643 HydrophobicContact CG1-CB 3.94Å; V575-F643 HydrophobicContact CG1-CD1 4.02Å; V575-F643 HydrophobicContact CG1-CD2 3.91Å; V575-F643 HydrophobicContact CG1-CE2 4.42Å; V575-F643 HydrophobicContact CG1-CG 3.68Å; F577-F643 HydrophobicContact CD1-CD2 4.04Å; F577-F643 AromaticContact CD1-CE2 3.96Å; F577-F643 HydrophobicContact CD1-CE2 3.96Å; F577-F643 AromaticContact CE1-CD2 3.51Å; F577-F643 HydrophobicContact CE1-CD2 3.51Å; F577-F643 AromaticContact CE1-CE2 3.81Å; F577-F643 HydrophobicContact CE1-CE2 3.81Å; F577-F643 HydrophobicContact CZ-CD2 4.01Å; F577-F643 HydrophobicContact CZ-CE2 4.22Å; M638-F643 HydrophobicContact CB-CB 4.11Å; M638-F643 HydrophobicContact SD-CB 4.48Å; T639-F643 VanDerWaalsContact O-CB 3.24Å; T639-F643 WeakPolarHBondContact O-CB 3.39Å; T639-F643 PolarHBondContact O-N 2.98Å; T641-F643 VanDerWaalsContact C-N 3.3Å; T641-F643 PolarHBondContact O-N 3.35Å; F643-F646 HydrophobicContact CD2-CD1 4.46Å; F643-F646 PolarHBondContact O-N 3.28Å; F643-K647 HydrophobicContact CD1-CD 4.44Å; F643-K647 HydrophobicContact CE1-CD 3.81Å; F643-K647 HydrophobicContact CE2-CD 4.34Å; F643-K647 HydrophobicContact CE2-CG 4.28Å; F643-K647 HydrophobicContact CZ-CD 3.76Å; F643-K647 HydrophobicContact CZ-CG 4.19Å; F643-K647 WeakPolarHBondContact O-CG 3.36Å; F643-K647 PolarHBondContact O-N 3.03Å; F643-K647 VanDerWaalsContact O-N 3.12Å; F643-F655 AromaticContact CE2-CE2 3.82Å; F643-F655 HydrophobicContact CE2-CE2 3.82Å; F643-F655 AromaticContact CE2-CZ 3.73Å; F643-F655 HydrophobicContact CE2-CZ 3.73Å; F643-F655 HydrophobicContact CZ-CE2 4.18Å; F643-F655 AromaticContact CZ-CZ 3.63Å; F643-F655 HydrophobicContact CZ-CZ 3.63Å
644	A	97.8	Very high	97.2	Very high	46 Å²	46	31.8 Å²	31.8	38%	0.38	17%	0.166	S	C	.	.	H	α-helix	trans	-64.2	-45.9	173.1	0	0	0	0	0	111.4	M640 T641 D642 F646 K647 E648	M640-A644 WeakPolarHBondContact O-CB 3.25Å; M640-A644 PolarHBondContact O-N 2.71Å; T641-A644 PolarHBondContact O-N 2.86Å; D642-A644 VanDerWaalsContact C-N 3.34Å; D642-A644 PolarHBondContact O-N 3.14Å; A644-F646 VanDerWaalsContact C-N 3.28Å; A644-F646 PolarHBondContact O-N 2.96Å; A644-K647 PolarHBondContact O-N 3.01Å; A644-E648 PolarHBondContact O-N 3.39Å; A644-E648 VanDerWaalsContact O-N 3.16Å
645	L	98.2	Very high	97.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-36.8	175.8	-169.1	67.4	0	0	0	111.7	F590 T641 D642 E648 H649 I752	F590-L645 HydrophobicContact CD1-CD2 4.08Å; F590-L645 HydrophobicContact CD1-CG 4.23Å; F590-L645 HydrophobicContact CD2-CD2 4.34Å; F590-L645 HydrophobicContact CE1-CB 4.18Å; F590-L645 HydrophobicContact CE1-CD2 3.87Å; F590-L645 HydrophobicContact CE1-CG 3.63Å; F590-L645 HydrophobicContact CE2-CD2 4.16Å; F590-L645 HydrophobicContact CG-CD2 4.31Å; F590-L645 HydrophobicContact CZ-CB 3.9Å; F590-L645 HydrophobicContact CZ-CD2 3.91Å; F590-L645 HydrophobicContact CZ-CG 3.81Å; T641-L645 PolarHBondContact O-N 2.7Å; T641-L645 VanDerWaalsContact O-N 3.1Å; D642-L645 PolarHBondContact O-N 3.23Å; L645-E648 WeakPolarHBondContact O-CB 3.08Å; L645-E648 PolarHBondContact O-N 3.44Å; L645-H649 WeakPolarHBondContact CD1-NE2 3.42Å; L645-H649 WeakPolarHBondContact O-CB 3.45Å; L645-H649 PolarHBondContact O-CD2 3.37Å; L645-H649 VanDerWaalsContact O-CD2 3.31Å; L645-H649 PolarHBondContact O-N 3.34Å; L645-I752 HydrophobicContact CD1-CG2 4.34Å; L645-I752 HydrophobicContact CD2-CB 4.24Å; L645-I752 HydrophobicContact CD2-CD1 3.69Å; L645-I752 HydrophobicContact CD2-CG2 4.04Å
646	F	98.2	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-48.6	-179.7	178.6	-117.8	0	0	0	111.3	F577 T579 F581 F590 I591 L636 M638 D642 F643 A644 E648 H649 Y650 L652	F577-F646 AromaticContact CE2-CD1 3.98Å; F577-F646 HydrophobicContact CE2-CD1 3.98Å; F577-F646 AromaticContact CE2-CE1 3.39Å; F577-F646 HydrophobicContact CE2-CE1 3.39Å; F577-F646 HydrophobicContact CE2-CZ 4.12Å; F577-F646 AromaticContact CZ-CD1 3.7Å; F577-F646 HydrophobicContact CZ-CD1 3.7Å; F577-F646 AromaticContact CZ-CE1 3.6Å; F577-F646 HydrophobicContact CZ-CE1 3.6Å; F577-F646 HydrophobicContact CZ-CZ 4.44Å; T579-F646 HydrophobicContact CG2-CE1 4Å; T579-F646 HydrophobicContact CG2-CZ 3.82Å; F581-F646 HydrophobicContact CB-CE2 4.06Å; F581-F646 HydrophobicContact CB-CZ 3.82Å; F581-F646 HydrophobicContact CD1-CE2 4.1Å; F581-F646 AromaticContact CD1-CZ 3.98Å; F581-F646 HydrophobicContact CD1-CZ 3.98Å; F581-F646 HydrophobicContact CG-CE2 4.01Å; F581-F646 HydrophobicContact CG-CZ 4.07Å; F590-F646 HydrophobicContact CZ-CB 3.84Å; F590-F646 HydrophobicContact CZ-CD2 4.48Å; I591-F646 HydrophobicContact CD1-CD2 3.6Å; I591-F646 HydrophobicContact CD1-CE2 4.01Å; I591-F646 HydrophobicContact CD1-CG 4.47Å; I591-F646 HydrophobicContact CG1-CD2 3.74Å; I591-F646 HydrophobicContact CG1-CE2 3.77Å; L636-F646 HydrophobicContact CD1-CZ 4.23Å; M638-F646 HydrophobicContact CE-CB 4.18Å; M638-F646 HydrophobicContact CE-CD1 4.31Å; M638-F646 HydrophobicContact CE-CD2 4.01Å; M638-F646 HydrophobicContact CE-CE2 4.46Å; M638-F646 HydrophobicContact CE-CG 3.91Å; M638-F646 HydrophobicContact SD-CB 3.79Å; M638-F646 HydrophobicContact SD-CD1 4.26Å; M638-F646 HydrophobicContact SD-CG 4.01Å; D642-F646 VanDerWaalsContact O-CB 3.26Å; D642-F646 WeakPolarHBondContact O-CB 3.45Å; D642-F646 PolarHBondContact O-N 3.08Å; F643-F646 HydrophobicContact CD2-CD1 4.46Å; F643-F646 PolarHBondContact O-N 3.28Å; A644-F646 VanDerWaalsContact C-N 3.28Å; A644-F646 PolarHBondContact O-N 2.96Å; F646-E648 PolarHBondContact O-N 3.04Å; F646-H649 PolarHBondContact O-N 3.13Å; F646-Y650 AromaticContact CD2-CD2 3.44Å; F646-Y650 HydrophobicContact CD2-CD2 3.44Å; F646-Y650 VanDerWaalsContact CD2-CD2 3.44Å; F646-Y650 HydrophobicContact CD2-CE2 4.01Å; F646-Y650 AromaticContact CD2-CG 3.97Å; F646-Y650 HydrophobicContact CD2-CG 3.97Å; F646-Y650 HydrophobicContact CE2-CD1 4.5Å; F646-Y650 AromaticContact CE2-CD2 3.76Å; F646-Y650 HydrophobicContact CE2-CD2 3.76Å; F646-Y650 HydrophobicContact CE2-CE2 4.35Å; F646-Y650 AromaticContact CE2-CG 3.83Å; F646-Y650 HydrophobicContact CE2-CG 3.83Å; F646-Y650 HydrophobicContact CG-CD2 4.46Å; F646-Y650 WeakPolarHBondContact O-CB 3.22Å; F646-Y650 PolarHBondContact O-N 2.92Å; F646-L652 HydrophobicContact CD1-CD1 4.17Å; F646-L652 HydrophobicContact CD1-CD2 3.9Å; F646-L652 HydrophobicContact CE1-CD1 3.88Å; F646-L652 HydrophobicContact CE1-CD2 3.18Å; F646-L652 HydrophobicContact CE1-CG 4.19Å; F646-L652 HydrophobicContact CE2-CD2 4.12Å; F646-L652 HydrophobicContact CZ-CD2 3.33Å
647	K	97.7	Very high	97.5	Very high	97 Å²	97	38.7 Å²	38.7	42%	0.422	19%	0.19	S	C	.	.	H	α-helix	trans	-61	-32.4	174.4	-70.4	-174.4	-63.9	175.3	0	112.9	F643 A644 L652	F643-K647 HydrophobicContact CD1-CD 4.44Å; F643-K647 HydrophobicContact CE1-CD 3.81Å; F643-K647 HydrophobicContact CE2-CD 4.34Å; F643-K647 HydrophobicContact CE2-CG 4.28Å; F643-K647 HydrophobicContact CZ-CD 3.76Å; F643-K647 HydrophobicContact CZ-CG 4.19Å; F643-K647 WeakPolarHBondContact O-CG 3.36Å; F643-K647 PolarHBondContact O-N 3.03Å; F643-K647 VanDerWaalsContact O-N 3.12Å; A644-K647 PolarHBondContact O-N 3.01Å; K647-L652 HydrophobicContact CG-CD1 4.04Å
648	E	98.1	Very high	97.5	Very high	65 Å²	65	39.4 Å²	39.4	30%	0.304	19%	0.194	S	C	.	.	H	α-helix	trans	-73.1	-37.6	177.6	-176.4	-168.5	155.3	0	0	112.2	R584 K587 A644 L645 F646 R753	R584-E648 WeakPolarHBondContact CD-O 3.42Å; K587-E648 IonicContact NZ-OE1 3.67Å; K587-E648 PolarHBondContact NZ-OE1 3.09Å; A644-E648 PolarHBondContact O-N 3.39Å; A644-E648 VanDerWaalsContact O-N 3.16Å; L645-E648 WeakPolarHBondContact O-CB 3.08Å; L645-E648 PolarHBondContact O-N 3.44Å; F646-E648 PolarHBondContact O-N 3.04Å; E648-R753 IonicContact OE1-NH1 3.82Å; E648-R753 IonicContact OE2-CZ 2.73Å; E648-R753 VanDerWaalsContact OE2-CZ 3.28Å; E648-R753 IonicContact OE2-NH1 2.68Å; E648-R753 PolarHBondContact OE2-NH1 2.82Å; E648-R753 IonicContact OE2-NH2 3.12Å; E648-R753 PolarHBondContact OE2-NH2 2.83Å
649	H	98.6	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-93.3	-23.8	-172.5	-77.8	-128.2	0	0	0	113.7	I583 R584 K587 L588 F590 L645 F646 Q756	I583-H649 HydrophobicContact CD1-CB 4.41Å; I583-H649 WeakPolarHBondContact CD1-O 3.45Å; R584-H649 WeakPolarHBondContact CB-O 3.44Å; R584-H649 WeakPolarHBondContact CG-O 3.25Å; R584-H649 PolarHBondContact N-O 2.51Å; K587-H649 HydrophobicContact CB-CB 4.22Å; L588-H649 PolarHBondContact O-ND1 2.97Å; F590-H649 HydrophobicContact CD1-CB 4.4Å; F590-H649 HydrophobicContact CE1-CB 3.98Å; L645-H649 WeakPolarHBondContact CD1-NE2 3.42Å; L645-H649 WeakPolarHBondContact O-CB 3.45Å; L645-H649 PolarHBondContact O-CD2 3.37Å; L645-H649 VanDerWaalsContact O-CD2 3.31Å; L645-H649 PolarHBondContact O-N 3.34Å; F646-H649 PolarHBondContact O-N 3.13Å; H649-Q756 PolarHBondContact CE1-OE1 3.04Å
650	Y	98.6	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.5	-172.7	-64.1	-93.4	0	0	0	112.2	F581 Y582 I583 R584 P589 F590 I591 L605 F646	F581-Y650 HydrophobicContact CB-CD1 4.22Å; F581-Y650 HydrophobicContact CB-CG 4.49Å; F581-Y650 AromaticContact CD2-CD1 3.44Å; F581-Y650 HydrophobicContact CD2-CD1 3.44Å; F581-Y650 VanDerWaalsContact CD2-CD1 3.44Å; F581-Y650 AromaticContact CD2-CE1 3.58Å; F581-Y650 HydrophobicContact CD2-CE1 3.58Å; F581-Y650 HydrophobicContact CD2-CG 4.33Å; F581-Y650 HydrophobicContact CE2-CD1 4.17Å; F581-Y650 AromaticContact CE2-CE1 3.81Å; F581-Y650 HydrophobicContact CE2-CE1 3.81Å; F581-Y650 HydrophobicContact CG-CD1 4.16Å; Y582-Y650 CarbonylContact O-C 3.56Å; Y582-Y650 WeakPolarHBondContact O-CA 3.32Å; I583-Y650 HydrophobicContact CB-CD1 4.19Å; I583-Y650 HydrophobicContact CB-CE1 4.04Å; I583-Y650 HydrophobicContact CD1-CD1 4.02Å; I583-Y650 HydrophobicContact CD1-CD2 4.46Å; I583-Y650 HydrophobicContact CD1-CE1 3.62Å; I583-Y650 HydrophobicContact CD1-CE2 4.09Å; I583-Y650 HydrophobicContact CD1-CG 4.44Å; I583-Y650 HydrophobicContact CG1-CE1 4.44Å; R584-Y650 PolarHBondContact NE-O 2.8Å; R584-Y650 PolarHBondContact NH2-O 3.16Å; R584-Y650 VanDerWaalsContact NH2-O 3.12Å; P589-Y650 WeakPolarHBondContact CA-OH 3.38Å; P589-Y650 WeakPolarHBondContact CB-OH 3.3Å; F590-Y650 AromaticContact CD1-CE2 3.85Å; F590-Y650 HydrophobicContact CD1-CE2 3.85Å; F590-Y650 HydrophobicContact CE1-CD2 4.21Å; F590-Y650 AromaticContact CE1-CE2 3.71Å; F590-Y650 HydrophobicContact CE1-CE2 3.71Å; F590-Y650 HydrophobicContact CZ-CE2 4.46Å; F590-Y650 PolarHBondContact N-OH 3.39Å; I591-Y650 HydrophobicContact CD1-CE2 4.46Å; I591-Y650 HydrophobicContact CG1-CD2 4.35Å; I591-Y650 HydrophobicContact CG1-CE1 4.46Å; I591-Y650 HydrophobicContact CG1-CE2 3.62Å; I591-Y650 PolarHBondContact N-OH 2.99Å; L605-Y650 WeakPolarHBondContact O-CE1 3.24Å; L605-Y650 PolarHBondContact O-OH 3.13Å; F646-Y650 AromaticContact CD2-CD2 3.44Å; F646-Y650 HydrophobicContact CD2-CD2 3.44Å; F646-Y650 VanDerWaalsContact CD2-CD2 3.44Å; F646-Y650 HydrophobicContact CD2-CE2 4.01Å; F646-Y650 AromaticContact CD2-CG 3.97Å; F646-Y650 HydrophobicContact CD2-CG 3.97Å; F646-Y650 HydrophobicContact CE2-CD1 4.5Å; F646-Y650 AromaticContact CE2-CD2 3.76Å; F646-Y650 HydrophobicContact CE2-CD2 3.76Å; F646-Y650 HydrophobicContact CE2-CE2 4.35Å; F646-Y650 AromaticContact CE2-CG 3.83Å; F646-Y650 HydrophobicContact CE2-CG 3.83Å; F646-Y650 HydrophobicContact CG-CD2 4.46Å; F646-Y650 WeakPolarHBondContact O-CB 3.22Å; F646-Y650 PolarHBondContact O-N 2.92Å
651	E	98.1	Very high	97.5	Very high	86 Å²	86	37.1 Å²	37.1	40%	0.402	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.5	159.3	-61.8	-61.6	170.8	0	0	108.7	F581 Y582 R584	F581-E651 VanDerWaalsContact CA-O 3.25Å; F581-E651 WeakPolarHBondContact CA-O 3.35Å; Y582-E651 PolarHBondContact N-O 3.43Å; Y582-E651 PolarHBondContact O-N 3.29Å; R584-E651 HydrophobicContact CG-CG 3.86Å; R584-E651 IonicContact CZ-OE1 3.78Å; R584-E651 IonicContact CZ-OE2 3.74Å; R584-E651 IonicContact NE-OE1 3.34Å; R584-E651 IonicContact NE-OE2 2.71Å; R584-E651 IonicContact NH1-OE1 3.88Å; R584-E651 PolarHBondContact NH1-OE1 2.99Å; R584-E651 IonicContact NH1-OE2 3.22Å; R584-E651 PolarHBondContact NH1-OE2 2.97Å; R584-E651 VanDerWaalsContact NH1-OE2 3.09Å; R584-E651 IonicContact NH2-OE1 2.77Å; R584-E651 IonicContact NH2-OE2 3.74Å; R584-E651 PolarHBondContact NH2-OE2 3.11Å
652	L	97.4	Very high	97.6	Very high	46 Å²	46	37.8 Å²	37.8	24%	0.241	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128	-175.9	-50.3	-173.2	0	0	0	109.4	F581 F646 K647 F655	F581-L652 HydrophobicContact CB-CD2 4.12Å; F646-L652 HydrophobicContact CD1-CD1 4.17Å; F646-L652 HydrophobicContact CD1-CD2 3.9Å; F646-L652 HydrophobicContact CE1-CD1 3.88Å; F646-L652 HydrophobicContact CE1-CD2 3.18Å; F646-L652 HydrophobicContact CE1-CG 4.19Å; F646-L652 HydrophobicContact CE2-CD2 4.12Å; F646-L652 HydrophobicContact CZ-CD2 3.33Å; K647-L652 HydrophobicContact CG-CD1 4.04Å; L652-F655 HydrophobicContact CB-CB 4.05Å; L652-F655 HydrophobicContact CB-CD2 4.35Å; L652-F655 HydrophobicContact CB-CG 4.43Å; L652-F655 HydrophobicContact CD1-CD2 3.68Å; L652-F655 HydrophobicContact CD1-CE2 4.02Å; L652-F655 HydrophobicContact CD1-CG 4.23Å
653	V	95.8	Very high	97.6	Very high	48 Å²	48	37.4 Å²	37.4	29%	0.291	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139	-179.7	-174	0	0	0	0	108.9	T579 R580 Y582 F655	T579-V653 PolarHBondContact OG1-O 3.12Å; T579-V653 VanDerWaalsContact OG1-O 3.12Å; R580-V653 HydrophobicContact CB-CB 4.27Å; R580-V653 PolarHBondContact N-O 3.24Å; R580-V653 VanDerWaalsContact NH2-CG1 3.29Å; R580-V653 PolarHBondContact O-N 2.94Å; Y582-V653 HydrophobicContact CD2-CG2 3.86Å; Y582-V653 HydrophobicContact CE2-CB 4.27Å; Y582-V653 HydrophobicContact CE2-CG2 3.67Å; V653-F655 PolarHBondContact O-N 3.31Å
654	D	90.6	Very high	97.5	Very high	100 Å²	100	40.7 Å²	40.7	54%	0.535	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.2	35	-175.3	-48.6	-44.6	0	0	0	112.3	R580 R656	R580-D654 IonicContact CZ-OD2 3.34Å; R580-D654 IonicContact NE-OD2 3.05Å; R580-D654 PolarHBondContact NE-OD2 3.21Å; R580-D654 IonicContact NH2-OD2 2.74Å; R580-D654 PolarHBondContact NH2-OD2 3.33Å; D654-R656 PolarHBondContact O-N 2.91Å
655	F	96.9	Very high	97.5	Very high	66 Å²	66	39.2 Å²	39.2	29%	0.289	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.3	-176.6	177.6	-95.9	0	0	0	111.2	F577 K578 F643 L652 V653 I657	F577-F655 HydrophobicContact CB-CE2 3.8Å; F577-F655 HydrophobicContact CB-CZ 4.1Å; F577-F655 HydrophobicContact CD1-CE2 4.39Å; F577-F655 HydrophobicContact CD2-CD2 4.02Å; F577-F655 AromaticContact CD2-CE2 3.49Å; F577-F655 HydrophobicContact CD2-CE2 3.49Å; F577-F655 VanDerWaalsContact CD2-CE2 3.49Å; F577-F655 HydrophobicContact CE2-CE2 4.12Å; F577-F655 AromaticContact CG-CE2 3.63Å; F577-F655 HydrophobicContact CG-CE2 3.63Å; F577-F655 HydrophobicContact CG-CZ 4.25Å; K578-F655 WeakPolarHBondContact O-CA 3.38Å; F643-F655 AromaticContact CE2-CE2 3.82Å; F643-F655 HydrophobicContact CE2-CE2 3.82Å; F643-F655 AromaticContact CE2-CZ 3.73Å; F643-F655 HydrophobicContact CE2-CZ 3.73Å; F643-F655 HydrophobicContact CZ-CE2 4.18Å; F643-F655 AromaticContact CZ-CZ 3.63Å; F643-F655 HydrophobicContact CZ-CZ 3.63Å; L652-F655 HydrophobicContact CB-CB 4.05Å; L652-F655 HydrophobicContact CB-CD2 4.35Å; L652-F655 HydrophobicContact CB-CG 4.43Å; L652-F655 HydrophobicContact CD1-CD2 3.68Å; L652-F655 HydrophobicContact CD1-CE2 4.02Å; L652-F655 HydrophobicContact CD1-CG 4.23Å; V653-F655 PolarHBondContact O-N 3.31Å; F655-I657 HydrophobicContact CE1-CD1 4.11Å; F655-I657 HydrophobicContact CE1-CG1 3.64Å; F655-I657 HydrophobicContact CZ-CD1 4.16Å; F655-I657 HydrophobicContact CZ-CG1 3.54Å
656	R	97.4	Very high	97.5	Very high	154 Å²	154	40.7 Å²	40.7	58%	0.581	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143	123.5	176.2	179	177.9	174.7	-176.8	-0.3	110.5	D560 F577 K578 D654 L658	D560-R656 HydrophobicContact CB-CG 4.41Å; F577-R656 CarbonylContact C-O 3.52Å; F577-R656 WeakPolarHBondContact CA-O 3.33Å; F577-R656 VanDerWaalsContact CB-O 3.29Å; F577-R656 WeakPolarHBondContact CB-O 3.26Å; K578-R656 PolarHBondContact N-O 3.47Å; K578-R656 PolarHBondContact O-N 2.98Å; D654-R656 PolarHBondContact O-N 2.91Å; R656-L658 HydrophobicContact CG-CD2 4.28Å
657	I	97.9	Very high	97.4	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.062	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	134	166.7	-61.7	172.2	0	0	0	108.2	G559 D560 I562 V575 F577 F655	G559-I657 WeakPolarHBondContact O-CG2 3.31Å; D560-I657 VanDerWaalsContact CA-O 3.29Å; D560-I657 WeakPolarHBondContact CA-O 3.37Å; D560-I657 WeakPolarHBondContact OD1-CB 3.32Å; D560-I657 PolarHBondContact OD1-N 2.92Å; I562-I657 HydrophobicContact CD1-CD1 4.21Å; I562-I657 HydrophobicContact CG1-CD1 3.69Å; V575-I657 HydrophobicContact CG2-CD1 4.4Å; V575-I657 HydrophobicContact CG2-CG1 4.24Å; V575-I657 HydrophobicContact CG2-CG2 3.81Å; F577-I657 HydrophobicContact CB-CG1 4.41Å; F655-I657 HydrophobicContact CE1-CD1 4.11Å; F655-I657 HydrophobicContact CE1-CG1 3.64Å; F655-I657 HydrophobicContact CZ-CD1 4.16Å; F655-I657 HydrophobicContact CZ-CG1 3.54Å
658	L	97.6	Very high	97.2	Very high	26 Å²	26	40.4 Å²	40.4	14%	0.136	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-51.8	176.9	-55.2	-175.4	0	0	0	110	G559 R576 K578 E635 R656	G559-L658 PolarHBondContact N-O 3.14Å; R576-L658 HydrophobicContact CG-CD1 4.27Å; R576-L658 PolarHBondContact O-N 2.87Å; K578-L658 HydrophobicContact CD-CD1 4.14Å; K578-L658 HydrophobicContact CD-CD2 4.27Å; K578-L658 HydrophobicContact CG-CD1 4.06Å; K578-L658 HydrophobicContact CG-CD2 4.44Å; E635-L658 HydrophobicContact CG-CD1 4.13Å; R656-L658 HydrophobicContact CG-CD2 4.28Å
659	D	98.2	Very high	97.1	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	-178.2	-174.1	44.9	67.8	0	0	0	110.4	F496 Y504 W557 R576	F496-D659 HydrophobicContact CD1-CB 3.89Å; F496-D659 HydrophobicContact CE1-CB 3.83Å; Y504-D659 VanDerWaalsContact CE2-OD1 3.28Å; Y504-D659 WeakPolarHBondContact CE2-OD1 3.33Å; Y504-D659 PolarHBondContact OH-OD1 3.31Å; W557-D659 WeakPolarHBondContact O-CA 3.4Å; W557-D659 WeakPolarHBondContact O-CB 3.4Å; R576-D659 WeakPolarHBondContact CB-OD1 3.36Å; R576-D659 IonicContact CZ-OD1 3.92Å; R576-D659 IonicContact CZ-OD2 3.17Å; R576-D659 VanDerWaalsContact CZ-OD2 3.32Å; R576-D659 PolarHBondContact N-O 3.05Å; R576-D659 IonicContact NE-OD1 2.62Å; R576-D659 PolarHBondContact NE-OD1 3.32Å; R576-D659 IonicContact NE-OD2 3.07Å; R576-D659 PolarHBondContact NE-OD2 3.32Å; R576-D659 IonicContact NH2-OD1 3.75Å; R576-D659 IonicContact NH2-OD2 3.09Å; R576-D659 PolarHBondContact NH2-OD2 3.34Å; R576-D659 PolarHBondContact O-N 3.02Å
660	G	98.1	Very high	97	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-177.7	171.8	0	0	0	0	0	112.7	Y504 F556 W557 F574	Y504-G660 WeakPolarHBondContact OH-CA 3.45Å; Y504-G660 PolarHBondContact OH-N 3.34Å; F556-G660 WeakPolarHBondContact CA-O 3.47Å; W557-G660 VanDerWaalsContact CZ2-CA 3.45Å; W557-G660 VanDerWaalsContact CZ3-CA 3.47Å; W557-G660 PolarHBondContact N-O 3.45Å; W557-G660 PolarHBondContact O-N 3.31Å; F574-G660 CarbonylContact O-C 3.54Å; F574-G660 WeakPolarHBondContact O-CA 3.43Å
661	C	98.5	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	149.1	165.4	60.8	0	0	0	0	111.2	P554 H555 F556 W557 Y573 F574	P554-C661 HydrophobicContact CB-CB 3.94Å; H555-C661 CarbonylContact O-C 3.56Å; H555-C661 VanDerWaalsContact O-CA 3.29Å; H555-C661 WeakPolarHBondContact O-CA 3.43Å; F556-C661 HydrophobicContact CD1-CB 3.71Å; F556-C661 HydrophobicContact CD2-CB 4.07Å; F556-C661 HydrophobicContact CE1-CB 3.67Å; F556-C661 HydrophobicContact CE2-CB 4.02Å; F556-C661 HydrophobicContact CG-CB 3.91Å; F556-C661 HydrophobicContact CZ-CB 3.8Å; W557-C661 VanDerWaalsContact CZ3-CA 3.49Å; Y573-C661 CarbonylContact C-O 3.54Å; Y573-C661 VanDerWaalsContact CA-O 3.29Å; Y573-C661 WeakPolarHBondContact CA-O 3.38Å; Y573-C661 WeakPolarHBondContact CB-O 3.42Å; F574-C661 PolarHBondContact N-O 2.87Å; F574-C661 PolarHBondContact O-N 2.95Å
662	W	98.5	Very high	96.7	Very high	32 Å²	32	41.1 Å²	41.1	12%	0.121	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.8	174.1	66.8	-92.7	0	0	0	110.9	H555 W557 E565 A566 A571 Y572	H555-W662 HydrophobicContact CB-CD2 3.87Å; H555-W662 HydrophobicContact CB-CE3 4.48Å; H555-W662 HydrophobicContact CB-CG 4.27Å; H555-W662 HydrophobicContact CB-CH2 4.17Å; H555-W662 HydrophobicContact CB-CZ2 3.55Å; H555-W662 AromaticContact CD2-CE2 3.96Å; H555-W662 AromaticContact CD2-CE3 3.92Å; H555-W662 AromaticContact CD2-CH2 3.18Å; H555-W662 WeakPolarHBondContact CD2-CH2 3.47Å; H555-W662 AromaticContact CD2-CZ2 3.51Å; H555-W662 AromaticContact CD2-CZ3 3.4Å; H555-W662 VanDerWaalsContact CD2-CZ3 3.4Å; H555-W662 WeakPolarHBondContact CD2-CZ3 3.4Å; H555-W662 AromaticContact CG-CE2 3.83Å; H555-W662 AromaticContact CG-CH2 3.7Å; H555-W662 AromaticContact CG-CZ2 3.49Å; H555-W662 VanDerWaalsContact CG-CZ2 3.49Å; H555-W662 PolarHBondContact N-O 3.36Å; H555-W662 AromaticContact NE2-CH2 3.69Å; H555-W662 PolarHBondContact O-N 3.47Å; W557-W662 HydrophobicContact CZ3-CB 4.35Å; E565-W662 HydrophobicContact CB-CZ2 3.83Å; E565-W662 HydrophobicContact CG-CZ2 4.48Å; A566-W662 HydrophobicContact CB-CB 3.67Å; A566-W662 HydrophobicContact CB-CG 3.8Å; A571-W662 HydrophobicContact CB-CE3 4.32Å; Y572-W662 CarbonylContact O-C 3.58Å; Y572-W662 WeakPolarHBondContact O-CA 3.45Å
663	F	98.6	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.6	177.8	-63.9	-102.2	0	0	0	108.4	L487 V505 P550 P554 A571 Y572 F574 Y736 P738	L487-F663 HydrophobicContact CD1-CE1 3.91Å; L487-F663 HydrophobicContact CD1-CZ 3.82Å; V505-F663 HydrophobicContact CG2-CE2 4.27Å; V505-F663 HydrophobicContact CG2-CZ 4.24Å; P550-F663 HydrophobicContact CB-CB 3.56Å; P550-F663 HydrophobicContact CB-CD1 4.21Å; P550-F663 HydrophobicContact CB-CD2 3.95Å; P550-F663 HydrophobicContact CB-CG 3.65Å; P554-F663 HydrophobicContact CB-CD1 4.31Å; P554-F663 HydrophobicContact CB-CE1 3.7Å; P554-F663 HydrophobicContact CB-CE2 3.91Å; P554-F663 HydrophobicContact CB-CZ 3.49Å; P554-F663 VanDerWaalsContact CB-CZ 3.49Å; P554-F663 HydrophobicContact CG-CE1 4.07Å; P554-F663 HydrophobicContact CG-CZ 4.02Å; A571-F663 CarbonylContact C-O 3.59Å; A571-F663 VanDerWaalsContact CA-O 3.24Å; A571-F663 WeakPolarHBondContact CA-O 3.31Å; Y572-F663 PolarHBondContact N-O 2.86Å; Y572-F663 PolarHBondContact O-N 3.17Å; F574-F663 AromaticContact CD2-CD2 4Å; F574-F663 HydrophobicContact CD2-CD2 4Å; F574-F663 AromaticContact CD2-CE2 3.69Å; F574-F663 HydrophobicContact CD2-CE2 3.69Å; F574-F663 AromaticContact CE2-CD2 3.69Å; F574-F663 HydrophobicContact CE2-CD2 3.69Å; F574-F663 AromaticContact CE2-CE2 3.51Å; F574-F663 HydrophobicContact CE2-CE2 3.51Å; F663-Y736 VanDerWaalsContact CD1-OH 3.3Å; F663-Y736 WeakPolarHBondContact CD1-OH 3.17Å; F663-Y736 WeakPolarHBondContact CE1-OH 3.3Å; F663-P738 HydrophobicContact CE1-CB 4.46Å; F663-P738 HydrophobicContact CE1-CG 3.93Å; F663-P738 HydrophobicContact CE2-CB 4.18Å; F663-P738 HydrophobicContact CE2-CG 4.12Å; F663-P738 HydrophobicContact CZ-CB 4.04Å; F663-P738 HydrophobicContact CZ-CG 3.53Å
664	D	97.9	Very high	96.6	Very high	72 Å²	72	36.8 Å²	36.8	39%	0.385	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	154.1	155.5	-77.3	-35.2	0	0	0	109.3	P550 I551 R568 T570	P550-D664 WeakPolarHBondContact CA-O 3.35Å; I551-D664 HydrophobicContact CG1-CB 4.48Å; I551-D664 WeakPolarHBondContact CG1-O 3.46Å; I551-D664 PolarHBondContact N-O 3.21Å; R568-D664 IonicContact CZ-OD1 2.88Å; R568-D664 IonicContact NH1-OD1 3.67Å; R568-D664 PolarHBondContact NH1-OD1 3.23Å; R568-D664 IonicContact NH2-OD1 3.71Å; R568-D664 PolarHBondContact NH2-OD1 3.34Å; T570-D664 CarbonylContact O-C 3.59Å
665	S	97.8	Very high	96.7	Very high	15 Å²	15	35.9 Å²	35.9	11%	0.105	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.7	-173.8	62.3	0	0	0	0	112.7	K548 Y549 T570 A571	K548-S665 WeakPolarHBondContact CD-OG 3.26Å; Y549-S665 CarbonylContact O-C 3.58Å; Y549-S665 WeakPolarHBondContact O-CA 3.29Å; Y549-S665 VanDerWaalsContact O-CB 3.22Å; Y549-S665 WeakPolarHBondContact O-CB 3.45Å; T570-S665 PolarHBondContact O-N 3.31Å; T570-S665 PolarHBondContact O-OG 3.41Å; A571-S665 PolarHBondContact N-OG 3.1Å
666	A	96.5	Very high	96.6	Very high	31 Å²	31	37.2 Å²	37.2	26%	0.256	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.9	-178.8	0	0	0	0	0	111.6	K548 Y549 I551 I669	K548-A666 WeakPolarHBondContact CA-O 3.2Å; Y549-A666 PolarHBondContact N-O 3.47Å; Y549-A666 PolarHBondContact O-N 2.89Å; I551-A666 HydrophobicContact CD1-CB 4.23Å; A666-I669 HydrophobicContact CB-CG2 3.62Å
667	V	96.5	Very high	96.5	Very high	72 Å²	72	30.1 Å²	30.1	44%	0.436	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	145.9	171.1	-179.8	0	0	0	0	108.4	K548 I669	K548-V667 HydrophobicContact CB-CG2 3.91Å; V667-I669 PolarHBondContact O-N 2.97Å
668	G	94.5	Very high	96.2	Very high	19 Å²	19	31 Å²	31	20%	0.196	16%	0.163	C	C	.	.			trans	76.6	17.9	172.2	0	0	0	0	0	115.5	F670 D671	G668-F670 PolarHBondContact O-N 2.77Å; G668-F670 VanDerWaalsContact O-N 3.14Å; G668-D671 VanDerWaalsContact CA-CG 3.4Å; G668-D671 WeakPolarHBondContact CA-OD1 3.26Å; G668-D671 WeakPolarHBondContact CA-OD2 3.48Å; G668-D671 WeakPolarHBondContact O-CB 3.49Å; G668-D671 PolarHBondContact O-N 2.88Å; G668-D671 VanDerWaalsContact O-N 3.15Å
669	I	95.9	Very high	96	Very high	22 Å²	22	35.4 Å²	35.4	11%	0.113	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.7	177.2	63.4	167.6	0	0	0	113.1	Y471 M483 F484 Y549 I551 A666 V667 V739	Y471-I669 PolarHBondContact OH-O 3.12Å; Y471-I669 VanDerWaalsContact OH-O 3.08Å; M483-I669 HydrophobicContact CE-CB 3.72Å; M483-I669 HydrophobicContact CE-CD1 4.41Å; M483-I669 HydrophobicContact CE-CG2 3.56Å; F484-I669 HydrophobicContact CE1-CD1 4.2Å; F484-I669 HydrophobicContact CZ-CD1 4.08Å; Y549-I669 HydrophobicContact CD2-CD1 4.2Å; Y549-I669 HydrophobicContact CD2-CG1 4.01Å; Y549-I669 HydrophobicContact CG-CD1 3.95Å; Y549-I669 HydrophobicContact CG-CG1 4.29Å; I551-I669 HydrophobicContact CG2-CD1 4.42Å; I551-I669 HydrophobicContact CG2-CG2 4.5Å; A666-I669 HydrophobicContact CB-CG2 3.62Å; V667-I669 PolarHBondContact O-N 2.97Å; I669-V739 HydrophobicContact CD1-CG2 4.5Å
670	F	96.8	Very high	95.7	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-7.2	178.4	-58.4	-66.9	0	0	0	114	Y471 M541 Y549 G668 Q672 Y673 I674 L699 M703 V739 I743	Y471-F670 HydrophobicContact CD2-CD1 4.45Å; Y471-F670 HydrophobicContact CE1-CD1 4.42Å; Y471-F670 HydrophobicContact CE1-CE1 4.15Å; Y471-F670 AromaticContact CE2-CD1 3.68Å; Y471-F670 HydrophobicContact CE2-CD1 3.68Å; Y471-F670 HydrophobicContact CE2-CE1 4.23Å; Y471-F670 AromaticContact CZ-CD1 3.65Å; Y471-F670 AromaticContact CZ-CE1 3.72Å; M541-F670 HydrophobicContact CB-CB 4.24Å; M541-F670 HydrophobicContact CB-CD2 3.78Å; M541-F670 HydrophobicContact CB-CG 4.17Å; M541-F670 HydrophobicContact CE-CB 4.12Å; M541-F670 HydrophobicContact CE-CD1 3.49Å; M541-F670 VanDerWaalsContact CE-CD1 3.49Å; M541-F670 HydrophobicContact CE-CD2 3.86Å; M541-F670 HydrophobicContact CE-CE1 3.82Å; M541-F670 HydrophobicContact CE-CE2 4.15Å; M541-F670 HydrophobicContact CE-CG 3.53Å; M541-F670 HydrophobicContact CE-CZ 4.15Å; M541-F670 HydrophobicContact CG-CD2 4.02Å; M541-F670 HydrophobicContact CG-CE2 4.29Å; Y549-F670 HydrophobicContact CD1-CE2 4.18Å; Y549-F670 HydrophobicContact CD2-CD2 4.08Å; Y549-F670 AromaticContact CD2-CE2 3.75Å; Y549-F670 HydrophobicContact CD2-CE2 3.75Å; Y549-F670 HydrophobicContact CE1-CE2 4.3Å; Y549-F670 AromaticContact CE2-CD2 3.94Å; Y549-F670 HydrophobicContact CE2-CD2 3.94Å; Y549-F670 AromaticContact CE2-CE2 3.84Å; Y549-F670 HydrophobicContact CE2-CE2 3.84Å; Y549-F670 AromaticContact CG-CE2 3.91Å; Y549-F670 HydrophobicContact CG-CE2 3.91Å; G668-F670 PolarHBondContact O-N 2.77Å; G668-F670 VanDerWaalsContact O-N 3.14Å; F670-Q672 VanDerWaalsContact C-N 3.29Å; F670-Q672 PolarHBondContact O-N 3.35Å; F670-Q672 VanDerWaalsContact O-N 3.16Å; F670-Y673 WeakPolarHBondContact O-CA 3.48Å; F670-Y673 WeakPolarHBondContact O-CB 3.31Å; F670-Y673 PolarHBondContact O-N 3.4Å; F670-I674 HydrophobicContact CB-CG1 3.75Å; F670-I674 WeakPolarHBondContact O-CG1 3.31Å; F670-I674 PolarHBondContact O-N 2.72Å; F670-L699 HydrophobicContact CD1-CD2 4.26Å; F670-M703 HydrophobicContact CE1-CE 3.77Å; F670-M703 HydrophobicContact CZ-CE 4.43Å; F670-V739 HydrophobicContact CE2-CG1 4.26Å; F670-V739 HydrophobicContact CZ-CG1 3.6Å; F670-I743 HydrophobicContact CE2-CD1 4.43Å; F670-I743 HydrophobicContact CZ-CD1 4.46Å
671	D	94.9	Very high	95.4	Very high	31 Å²	31	38.8 Å²	38.8	17%	0.166	20%	0.197	C	C	.	.	H	α-helix	trans	-56.8	-41.4	-165.8	-74.2	-1.5	0	0	0	112.5	S543 G668 Y673 I674 E675	S543-D671 WeakPolarHBondContact CB-OD1 3.46Å; S543-D671 WeakPolarHBondContact CB-OD2 3.23Å; S543-D671 PolarHBondContact N-OD1 3.36Å; S543-D671 PolarHBondContact OG-OD1 3.03Å; S543-D671 PolarHBondContact OG-OD2 3.25Å; G668-D671 VanDerWaalsContact CA-CG 3.4Å; G668-D671 WeakPolarHBondContact CA-OD1 3.26Å; G668-D671 WeakPolarHBondContact CA-OD2 3.48Å; G668-D671 WeakPolarHBondContact O-CB 3.49Å; G668-D671 PolarHBondContact O-N 2.88Å; G668-D671 VanDerWaalsContact O-N 3.15Å; D671-Y673 PolarHBondContact O-N 2.94Å; D671-I674 PolarHBondContact O-N 2.77Å; D671-E675 WeakPolarHBondContact O-CB 3.4Å; D671-E675 VanDerWaalsContact O-CG 3.32Å; D671-E675 WeakPolarHBondContact O-CG 3.04Å; D671-E675 PolarHBondContact O-N 3.2Å
672	Q	93.6	Very high	95	Very high	113 Å²	113	44.2 Å²	44.2	53%	0.528	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-34.4	178.8	-172.9	178.9	-9.6	0	0	112.8	S474 F670	S474-Q672 VanDerWaalsContact O-CD 3.27Å; S474-Q672 PolarHBondContact O-NE2 3.19Å; S474-Q672 PolarHBondContact O-OE1 2.84Å; S474-Q672 VanDerWaalsContact O-OE1 3.04Å; F670-Q672 VanDerWaalsContact C-N 3.29Å; F670-Q672 PolarHBondContact O-N 3.35Å; F670-Q672 VanDerWaalsContact O-N 3.16Å
673	Y	95.6	Very high	94.6	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-82	-47.2	177.3	178.5	-85	0	0	0	111.6	C467 E470 Y471 F670 D671 K676 Y677 F695 L699	C467-Y673 VanDerWaalsContact CB-OH 3.29Å; C467-Y673 WeakPolarHBondContact CB-OH 3.3Å; C467-Y673 WeakPolarHBondContact O-CE2 3.06Å; E470-Y673 HydrophobicContact CB-CE2 4.08Å; E470-Y673 HydrophobicContact CG-CD2 4.15Å; E470-Y673 HydrophobicContact CG-CE2 3.92Å; Y471-Y673 HydrophobicContact CD2-CD2 4.23Å; Y471-Y673 HydrophobicContact CD2-CG 4.14Å; F670-Y673 WeakPolarHBondContact O-CA 3.48Å; F670-Y673 WeakPolarHBondContact O-CB 3.31Å; F670-Y673 PolarHBondContact O-N 3.4Å; D671-Y673 PolarHBondContact O-N 2.94Å; Y673-K676 PolarHBondContact O-N 3.45Å; Y673-Y677 HydrophobicContact CD1-CD2 4.19Å; Y673-Y677 HydrophobicContact CD2-CD2 4.27Å; Y673-Y677 AromaticContact CD2-CE2 3.91Å; Y673-Y677 HydrophobicContact CD2-CE2 3.91Å; Y673-Y677 AromaticContact CE1-CD2 3.94Å; Y673-Y677 HydrophobicContact CE1-CD2 3.94Å; Y673-Y677 HydrophobicContact CE1-CE2 4.27Å; Y673-Y677 HydrophobicContact CE2-CD2 4.05Å; Y673-Y677 AromaticContact CE2-CE2 3.54Å; Y673-Y677 HydrophobicContact CE2-CE2 3.54Å; Y673-Y677 HydrophobicContact CG-CD2 4.35Å; Y673-Y677 HydrophobicContact CG-CE2 4.43Å; Y673-Y677 AromaticContact CZ-CD2 3.87Å; Y673-Y677 AromaticContact CZ-CE2 3.74Å; Y673-Y677 WeakPolarHBondContact O-CD2 3.2Å; Y673-Y677 PolarHBondContact O-N 3.02Å; Y673-F695 WeakPolarHBondContact CE1-O 3.19Å; Y673-F695 HydrophobicContact CE2-CD1 4.33Å; Y673-F695 WeakPolarHBondContact OH-CD1 3.28Å; Y673-F695 PolarHBondContact OH-O 3.49Å; Y673-L699 HydrophobicContact CD1-CD2 3.5Å; Y673-L699 HydrophobicContact CD2-CD2 4.22Å; Y673-L699 HydrophobicContact CE1-CB 3.92Å; Y673-L699 HydrophobicContact CE1-CD2 3.48Å; Y673-L699 VanDerWaalsContact CE1-CD2 3.48Å; Y673-L699 HydrophobicContact CE1-CG 4.3Å; Y673-L699 HydrophobicContact CE2-CD2 4.17Å; Y673-L699 HydrophobicContact CG-CD2 3.89Å
674	I	95.9	Very high	94.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-46.9	-177.2	-65.8	-66.5	0	0	0	110.7	P538 M541 F670 D671 K676 Y677 K678 L696 F794	P538-I674 HydrophobicContact CB-CD1 4.33Å; M541-I674 HydrophobicContact CB-CD1 4.11Å; M541-I674 HydrophobicContact CB-CG1 4.24Å; M541-I674 HydrophobicContact CE-CD1 4.26Å; F670-I674 HydrophobicContact CB-CG1 3.75Å; F670-I674 WeakPolarHBondContact O-CG1 3.31Å; F670-I674 PolarHBondContact O-N 2.72Å; D671-I674 PolarHBondContact O-N 2.77Å; I674-K676 VanDerWaalsContact C-N 3.34Å; I674-K676 PolarHBondContact O-N 3.48Å; I674-Y677 PolarHBondContact O-N 3.01Å; I674-K678 WeakPolarHBondContact O-CB 3.38Å; I674-K678 PolarHBondContact O-N 2.9Å; I674-L696 HydrophobicContact CD1-CD2 3.91Å; I674-L696 HydrophobicContact CG2-CD2 4.31Å; I674-F794 HydrophobicContact CG2-CD2 4.39Å; I674-F794 HydrophobicContact CG2-CE2 3.59Å; I674-F794 HydrophobicContact CG2-CZ 4.45Å
675	E	93.6	Very high	93.5	Very high	81 Å²	81	55.5 Å²	55.5	38%	0.379	28%	0.276	S	S	.	.	H	α-helix	trans	-66	-35.1	-179.1	-69	-56.4	121.3	0	0	112.5	D671 K678 K679	D671-E675 WeakPolarHBondContact O-CB 3.4Å; D671-E675 VanDerWaalsContact O-CG 3.32Å; D671-E675 WeakPolarHBondContact O-CG 3.04Å; D671-E675 PolarHBondContact O-N 3.2Å; E675-K678 IonicContact OE1-NZ 2.8Å; E675-K679 VanDerWaalsContact O-CB 3.26Å; E675-K679 WeakPolarHBondContact O-CB 3.41Å; E675-K679 PolarHBondContact O-N 3.13Å
676	K	94.5	Very high	92.8	Very high	94 Å²	94	55.3 Å²	55.3	41%	0.409	28%	0.276	S	S	.	.	H	α-helix	trans	-56.8	-55.5	173.9	175	179.5	171.5	176.8	0	110.6	E470 Y673 I674 K679 I680	E470-K676 IonicContact OE1-NZ 2.66Å; E470-K676 PolarHBondContact OE1-NZ 3Å; Y673-K676 PolarHBondContact O-N 3.45Å; I674-K676 VanDerWaalsContact C-N 3.34Å; I674-K676 PolarHBondContact O-N 3.48Å; K676-K679 PolarHBondContact O-N 3.33Å; K676-I680 HydrophobicContact CG-CD1 4.13Å; K676-I680 WeakPolarHBondContact O-CG1 3.31Å; K676-I680 PolarHBondContact O-N 3.5Å
677	Y	94.7	Very high	92.1	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.02	27%	0.268	C	S	.	.	H	α-helix	trans	-78.4	-28.9	-175.3	-69.2	-67.6	0	0	0	113.1	E470 Y673 I674 K679 I680 K681 A692 F695	E470-Y677 HydrophobicContact CG-CE2 4.02Å; E470-Y677 VanDerWaalsContact CG-OH 3.27Å; E470-Y677 WeakPolarHBondContact CG-OH 3.31Å; Y673-Y677 HydrophobicContact CD1-CD2 4.19Å; Y673-Y677 HydrophobicContact CD2-CD2 4.27Å; Y673-Y677 AromaticContact CD2-CE2 3.91Å; Y673-Y677 HydrophobicContact CD2-CE2 3.91Å; Y673-Y677 AromaticContact CE1-CD2 3.94Å; Y673-Y677 HydrophobicContact CE1-CD2 3.94Å; Y673-Y677 HydrophobicContact CE1-CE2 4.27Å; Y673-Y677 HydrophobicContact CE2-CD2 4.05Å; Y673-Y677 AromaticContact CE2-CE2 3.54Å; Y673-Y677 HydrophobicContact CE2-CE2 3.54Å; Y673-Y677 HydrophobicContact CG-CD2 4.35Å; Y673-Y677 HydrophobicContact CG-CE2 4.43Å; Y673-Y677 AromaticContact CZ-CD2 3.87Å; Y673-Y677 AromaticContact CZ-CE2 3.74Å; Y673-Y677 WeakPolarHBondContact O-CD2 3.2Å; Y673-Y677 PolarHBondContact O-N 3.02Å; I674-Y677 PolarHBondContact O-N 3.01Å; Y677-K679 VanDerWaalsContact C-N 3.35Å; Y677-I680 HydrophobicContact CD1-CD1 4.06Å; Y677-I680 HydrophobicContact CE1-CD1 4.3Å; Y677-I680 PolarHBondContact O-N 3.29Å; Y677-K681 VanDerWaalsContact O-CB 3.26Å; Y677-K681 WeakPolarHBondContact O-CB 3.03Å; Y677-K681 PolarHBondContact O-N 3.28Å; Y677-A692 HydrophobicContact CD1-CB 4.16Å; Y677-A692 WeakPolarHBondContact O-CB 3.31Å; Y677-F695 HydrophobicContact CD1-CB 3.66Å; Y677-F695 HydrophobicContact CD1-CG 4.16Å; Y677-F695 HydrophobicContact CD2-CB 3.76Å; Y677-F695 HydrophobicContact CD2-CD1 4.43Å; Y677-F695 HydrophobicContact CD2-CG 4.44Å; Y677-F695 HydrophobicContact CE1-CB 3.66Å; Y677-F695 AromaticContact CE1-CD1 3.87Å; Y677-F695 HydrophobicContact CE1-CD1 3.87Å; Y677-F695 HydrophobicContact CE1-CD2 4.16Å; Y677-F695 AromaticContact CE1-CG 3.62Å; Y677-F695 HydrophobicContact CE1-CG 3.62Å; Y677-F695 HydrophobicContact CE2-CB 3.77Å; Y677-F695 AromaticContact CE2-CD1 3.59Å; Y677-F695 HydrophobicContact CE2-CD1 3.59Å; Y677-F695 AromaticContact CE2-CG 3.96Å; Y677-F695 HydrophobicContact CE2-CG 3.96Å; Y677-F695 HydrophobicContact CG-CB 3.71Å; Y677-F695 AromaticContact CZ-CD1 3.25Å; Y677-F695 AromaticContact CZ-CE1 3.92Å; Y677-F695 AromaticContact CZ-CG 3.52Å; Y677-F695 WeakPolarHBondContact OH-CD1 3.41Å; Y677-F695 WeakPolarHBondContact OH-CE1 3.41Å
678	K	93	Very high	91.6	Very high	30 Å²	30	56.5 Å²	56.5	13%	0.13	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-48.9	169.4	-176.3	-172.9	-174.7	-179.1	0	110.5	E544 I674 E675 K681 M682 F794	E544-K678 IonicContact OE1-NZ 3.87Å; E544-K678 PolarHBondContact OE1-NZ 3.31Å; E544-K678 IonicContact OE2-NZ 3.27Å; E544-K678 PolarHBondContact OE2-NZ 3.45Å; I674-K678 WeakPolarHBondContact O-CB 3.38Å; I674-K678 PolarHBondContact O-N 2.9Å; E675-K678 IonicContact OE1-NZ 2.8Å; K678-K681 PolarHBondContact O-N 3.27Å; K678-M682 HydrophobicContact CG-SD 4.07Å; K678-M682 WeakPolarHBondContact O-CB 3.5Å; K678-M682 WeakPolarHBondContact O-CG 3.39Å; K678-M682 PolarHBondContact O-N 2.77Å; K678-F794 HydrophobicContact CB-CE2 4.09Å; K678-F794 HydrophobicContact CB-CZ 4.14Å; K678-F794 HydrophobicContact CD-CD2 3.93Å; K678-F794 HydrophobicContact CD-CE2 3.63Å; K678-F794 HydrophobicContact CD-CZ 4.22Å; K678-F794 HydrophobicContact CG-CE2 3.87Å; K678-F794 HydrophobicContact CG-CZ 3.95Å
679	K	93.1	Very high	91.4	Very high	119 Å²	119	59.3 Å²	59.3	52%	0.517	28%	0.276	S	S	.	.	H	α-helix	trans	-58.4	-50.3	176.9	-174.6	178.1	179.2	-177.7	0	111.8	E675 K676 Y677 K681 M682 E683	E675-K679 VanDerWaalsContact O-CB 3.26Å; E675-K679 WeakPolarHBondContact O-CB 3.41Å; E675-K679 PolarHBondContact O-N 3.13Å; K676-K679 PolarHBondContact O-N 3.33Å; Y677-K679 VanDerWaalsContact C-N 3.35Å; K679-K681 PolarHBondContact O-N 2.71Å; K679-M682 PolarHBondContact O-N 2.72Å; K679-M682 VanDerWaalsContact O-N 3.17Å; K679-E683 WeakPolarHBondContact CE-OE1 3.25Å; K679-E683 WeakPolarHBondContact CE-OE2 3.39Å; K679-E683 VanDerWaalsContact CG-CD 3.46Å; K679-E683 HydrophobicContact CG-CG 4.32Å; K679-E683 WeakPolarHBondContact CG-OE1 3.49Å; K679-E683 WeakPolarHBondContact CG-OE2 3.23Å; K679-E683 WeakPolarHBondContact O-CB 3.41Å; K679-E683 WeakPolarHBondContact O-CG 3.46Å; K679-E683 PolarHBondContact O-N 2.8Å
680	I	92	Very high	91	Very high	50 Å²	50	60.3 Å²	60.3	26%	0.256	28%	0.281	S	S	.	.	H	α-helix	trans	-59.8	-45.4	178.3	-62.6	164.7	0	0	0	111	K676 Y677 M682 E683 S684 K688 A692	K676-I680 HydrophobicContact CG-CD1 4.13Å; K676-I680 WeakPolarHBondContact O-CG1 3.31Å; K676-I680 PolarHBondContact O-N 3.5Å; Y677-I680 HydrophobicContact CD1-CD1 4.06Å; Y677-I680 HydrophobicContact CE1-CD1 4.3Å; Y677-I680 PolarHBondContact O-N 3.29Å; I680-M682 VanDerWaalsContact C-N 3.29Å; I680-M682 PolarHBondContact O-N 3.29Å; I680-E683 PolarHBondContact O-N 2.83Å; I680-S684 WeakPolarHBondContact O-CB 3.17Å; I680-S684 PolarHBondContact O-N 2.84Å; I680-S684 PolarHBondContact O-OG 3.48Å; I680-K688 HydrophobicContact CG2-CB 4.4Å; I680-A692 HydrophobicContact CB-CB 3.9Å; I680-A692 HydrophobicContact CG2-CB 3.75Å
681	K	91.7	Very high	90.7	Very high	25 Å²	25	60.4 Å²	60.4	11%	0.109	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-40.8	177.4	180	-172.9	173.3	-164.5	0	111.5	S535 Y677 K678 K679 R689 A692 K693 L696	S535-K681 PolarHBondContact OG-NZ 2.86Å; Y677-K681 VanDerWaalsContact O-CB 3.26Å; Y677-K681 WeakPolarHBondContact O-CB 3.03Å; Y677-K681 PolarHBondContact O-N 3.28Å; K678-K681 PolarHBondContact O-N 3.27Å; K679-K681 PolarHBondContact O-N 2.71Å; K681-R689 HydrophobicContact CG-CG 4.37Å; K681-R689 PolarHBondContact O-NH1 3.34Å; K681-A692 HydrophobicContact CB-CB 3.93Å; K681-K693 HydrophobicContact CD-CG 3.99Å; K681-K693 HydrophobicContact CG-CG 4.14Å; K681-L696 HydrophobicContact CB-CD1 4.46Å; K681-L696 HydrophobicContact CD-CD1 3.88Å
682	M	88.7	Confident	90.6	Very high	115 Å²	115	59 Å²	59	57%	0.567	27%	0.274	S	S	*	.	H	α-helix	trans	-75.9	-38.1	-178.1	-72	179.8	65	0	0	113.2	K678 K679 I680	K678-M682 HydrophobicContact CG-SD 4.07Å; K678-M682 WeakPolarHBondContact O-CB 3.5Å; K678-M682 WeakPolarHBondContact O-CG 3.39Å; K678-M682 PolarHBondContact O-N 2.77Å; K679-M682 PolarHBondContact O-N 2.72Å; K679-M682 VanDerWaalsContact O-N 3.17Å; I680-M682 VanDerWaalsContact C-N 3.29Å; I680-M682 PolarHBondContact O-N 3.29Å
683	E	90.4	Very high	90.5	Very high	140 Å²	140	57 Å²	57	65%	0.654	26%	0.263	S	S	*	.	H	α-helix	trans	-92.3	-17.4	-173.1	-66.1	175.8	175.4	0	0	113.8	K679 I680	K679-E683 WeakPolarHBondContact CE-OE1 3.25Å; K679-E683 WeakPolarHBondContact CE-OE2 3.39Å; K679-E683 VanDerWaalsContact CG-CD 3.46Å; K679-E683 HydrophobicContact CG-CG 4.32Å; K679-E683 WeakPolarHBondContact CG-OE1 3.49Å; K679-E683 WeakPolarHBondContact CG-OE2 3.23Å; K679-E683 WeakPolarHBondContact O-CB 3.41Å; K679-E683 WeakPolarHBondContact O-CG 3.46Å; K679-E683 PolarHBondContact O-N 2.8Å; I680-E683 PolarHBondContact O-N 2.83Å
684	S	88.8	Confident	90.3	Very high	26 Å²	26	57.4 Å²	57.4	18%	0.182	27%	0.265	C	S	.	.			trans	-105.1	159.6	-176	-50.5	0	0	0	0	113.2	I680 R689	I680-S684 WeakPolarHBondContact O-CB 3.17Å; I680-S684 PolarHBondContact O-N 2.84Å; I680-S684 PolarHBondContact O-OG 3.48Å; S684-R689 WeakPolarHBondContact O-CB 3.17Å; S684-R689 WeakPolarHBondContact O-CD 3.49Å
685	K	84.5	Confident	90.2	Very high	175 Å²	175	57.4 Å²	57.4	76%	0.761	27%	0.265	S	S	*	.			trans	-117.3	179.7	165.7	-64.1	-174.6	179.4	-177	0	109.7
686	G	83.3	Confident	90.3	Very high	10 Å²	10	53.6 Å²	53.6	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	50.9	-141.5	177.7	0	0	0	0	0	115.3	S409 E411 K688 R689 Q690	S409-G686 CarbonylContact O-C 3.55Å; E411-G686 WeakPolarHBondContact OE1-CA 3.4Å; E411-G686 PolarHBondContact OE1-N 3.47Å; E411-G686 VanDerWaalsContact OE1-N 3.16Å; G686-K688 PolarHBondContact O-N 3.3Å; G686-R689 WeakPolarHBondContact O-CB 3.15Å; G686-R689 PolarHBondContact O-N 3.23Å; G686-R689 VanDerWaalsContact O-N 3.15Å; G686-Q690 PolarHBondContact O-N 2.9Å
687	A	81.8	Confident	90.1	Very high	11 Å²	11	52.5 Å²	52.5	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-48.6	-51.6	-177.3	0	0	0	0	0	113.9	S409 F410 I452 R689 Q690 L691	S409-A687 PolarHBondContact O-N 3.47Å; F410-A687 HydrophobicContact CB-CB 3.93Å; F410-A687 HydrophobicContact CD1-CB 3.31Å; F410-A687 HydrophobicContact CE1-CB 4.03Å; F410-A687 HydrophobicContact CG-CB 3.84Å; I452-A687 HydrophobicContact CD1-CB 3.79Å; I452-A687 HydrophobicContact CG2-CB 4.29Å; A687-R689 VanDerWaalsContact C-N 3.28Å; A687-R689 PolarHBondContact O-N 3.31Å; A687-Q690 PolarHBondContact O-N 2.81Å; A687-L691 WeakPolarHBondContact O-CG 3.36Å; A687-L691 PolarHBondContact O-N 2.95Å
688	K	86.4	Confident	90	Very high	118 Å²	118	54.6 Å²	54.6	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-58.8	-38.8	-176.9	-72.9	-173.8	175.9	-179.7	0	112.6	I680 G686 A692	I680-K688 HydrophobicContact CG2-CB 4.4Å; G686-K688 PolarHBondContact O-N 3.3Å; K688-A692 WeakPolarHBondContact O-CB 3.46Å; K688-A692 PolarHBondContact O-N 2.89Å
689	R	89.6	Confident	90.1	Very high	77 Å²	77	53.2 Å²	53.2	29%	0.291	25%	0.252	S	S	.	.	H	α-helix	trans	-66	-40.6	175.6	-178.4	177.7	175	103.1	-7.7	111.5	K681 S684 G686 A687 A692 K693	K681-R689 HydrophobicContact CG-CG 4.37Å; K681-R689 PolarHBondContact O-NH1 3.34Å; S684-R689 WeakPolarHBondContact O-CB 3.17Å; S684-R689 WeakPolarHBondContact O-CD 3.49Å; G686-R689 WeakPolarHBondContact O-CB 3.15Å; G686-R689 PolarHBondContact O-N 3.23Å; G686-R689 VanDerWaalsContact O-N 3.15Å; A687-R689 VanDerWaalsContact C-N 3.28Å; A687-R689 PolarHBondContact O-N 3.31Å; R689-A692 PolarHBondContact O-N 2.82Å; R689-K693 PolarHBondContact O-N 3.16Å
690	Q	88.5	Confident	90.1	Very high	44 Å²	44	50.1 Å²	50.1	21%	0.206	24%	0.237	C	C	.	.	H	α-helix	trans	-71.8	-39.7	-179.4	-62.9	-69.2	8.7	0	0	112.3	S409 F410 G686 A687 A692 K693 L694	S409-Q690 VanDerWaalsContact O-CG 3.31Å; S409-Q690 WeakPolarHBondContact O-CG 3.48Å; F410-Q690 HydrophobicContact CE2-CB 4.31Å; G686-Q690 PolarHBondContact O-N 2.9Å; A687-Q690 PolarHBondContact O-N 2.81Å; Q690-A692 VanDerWaalsContact C-N 3.35Å; Q690-A692 PolarHBondContact O-N 2.95Å; Q690-K693 WeakPolarHBondContact O-CB 3.49Å; Q690-K693 PolarHBondContact O-N 2.92Å; Q690-L694 PolarHBondContact O-N 3.26Å
691	L	90	Very high	90.1	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-56.2	-49.5	169.7	-70	-176.8	0	0	0	111.2	F410 I452 M453 E456 A687 K693 L694 F695	F410-L691 HydrophobicContact CE1-CD1 4.27Å; F410-L691 HydrophobicContact CE1-CD2 3.63Å; F410-L691 HydrophobicContact CE1-CG 3.79Å; F410-L691 HydrophobicContact CZ-CD2 3.57Å; F410-L691 HydrophobicContact CZ-CG 4.04Å; I452-L691 HydrophobicContact CG2-CD1 3.77Å; M453-L691 HydrophobicContact CG-CD2 4.03Å; M453-L691 HydrophobicContact SD-CD1 4.24Å; M453-L691 HydrophobicContact SD-CD2 3.14Å; M453-L691 WeakPolarHBondContact SD-CD2 3.5Å; M453-L691 HydrophobicContact SD-CG 4.31Å; E456-L691 WeakPolarHBondContact OE2-CD1 3.39Å; A687-L691 WeakPolarHBondContact O-CG 3.36Å; A687-L691 PolarHBondContact O-N 2.95Å; L691-K693 VanDerWaalsContact C-N 3.3Å; L691-K693 PolarHBondContact O-N 2.84Å; L691-L694 HydrophobicContact CD2-CD1 4.46Å; L691-L694 WeakPolarHBondContact O-CB 3.32Å; L691-L694 PolarHBondContact O-N 3.32Å; L691-L694 VanDerWaalsContact O-N 3.09Å; L691-F695 WeakPolarHBondContact O-CD2 3.49Å; L691-F695 PolarHBondContact O-N 3Å
692	A	92.8	Very high	90.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-39.6	176.8	0	0	0	0	0	113.1	Y677 I680 K681 K688 R689 Q690 F695 L696	Y677-A692 HydrophobicContact CD1-CB 4.16Å; Y677-A692 WeakPolarHBondContact O-CB 3.31Å; I680-A692 HydrophobicContact CB-CB 3.9Å; I680-A692 HydrophobicContact CG2-CB 3.75Å; K681-A692 HydrophobicContact CB-CB 3.93Å; K688-A692 WeakPolarHBondContact O-CB 3.46Å; K688-A692 PolarHBondContact O-N 2.89Å; R689-A692 PolarHBondContact O-N 2.82Å; Q690-A692 VanDerWaalsContact C-N 3.35Å; Q690-A692 PolarHBondContact O-N 2.95Å; A692-F695 PolarHBondContact O-N 2.84Å; A692-L696 VanDerWaalsContact O-CG 3.3Å; A692-L696 WeakPolarHBondContact O-CG 3.19Å; A692-L696 PolarHBondContact O-N 3.34Å
693	K	91.9	Very high	90.4	Very high	70 Å²	70	44.3 Å²	44.3	30%	0.304	22%	0.216	S	C	.	.	H	α-helix	trans	-61.4	-45	173.3	-76.3	178.7	172.4	-172.1	0	112	K681 R689 Q690 L691 F695 L696 N697	K681-K693 HydrophobicContact CD-CG 3.99Å; K681-K693 HydrophobicContact CG-CG 4.14Å; R689-K693 PolarHBondContact O-N 3.16Å; Q690-K693 WeakPolarHBondContact O-CB 3.49Å; Q690-K693 PolarHBondContact O-N 2.92Å; L691-K693 VanDerWaalsContact C-N 3.3Å; L691-K693 PolarHBondContact O-N 2.84Å; K693-F695 PolarHBondContact O-N 3.49Å; K693-L696 PolarHBondContact O-N 3.1Å; K693-N697 WeakPolarHBondContact O-CB 3.15Å; K693-N697 PolarHBondContact O-N 2.89Å
694	L	91.7	Very high	90.6	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-46.4	176.1	-77.3	178.5	0	0	0	111.5	P400 F401 I463 Q690 L691 L696 N697 N698	P400-L694 HydrophobicContact CG-CD2 3.7Å; F401-L694 HydrophobicContact CE2-CD1 3.78Å; F401-L694 HydrophobicContact CE2-CD2 3.89Å; F401-L694 HydrophobicContact CE2-CG 3.98Å; F401-L694 HydrophobicContact CZ-CD1 4.27Å; F401-L694 HydrophobicContact CZ-CD2 3.58Å; F401-L694 HydrophobicContact CZ-CG 3.94Å; I463-L694 HydrophobicContact CD1-CB 4.02Å; I463-L694 HydrophobicContact CD1-CD1 4.23Å; I463-L694 HydrophobicContact CG1-CB 3.99Å; I463-L694 HydrophobicContact CG1-CD1 4.32Å; Q690-L694 PolarHBondContact O-N 3.26Å; L691-L694 HydrophobicContact CD2-CD1 4.46Å; L691-L694 WeakPolarHBondContact O-CB 3.32Å; L691-L694 PolarHBondContact O-N 3.32Å; L691-L694 VanDerWaalsContact O-N 3.09Å; L694-L696 PolarHBondContact O-N 2.86Å; L694-N697 PolarHBondContact O-N 2.83Å; L694-N698 WeakPolarHBondContact O-CB 2.96Å; L694-N698 PolarHBondContact O-N 3.34Å; L694-N698 VanDerWaalsContact O-N 3.1Å; L694-N698 PolarHBondContact O-ND2 3.23Å
695	F	94.1	Very high	90.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-38.7	-179.8	-87.9	-101.4	0	0	0	112.8	H458 I463 C466 C467 E470 Y673 Y677 L691 A692 K693	H458-F695 HydrophobicContact CB-CZ 4.38Å; H458-F695 AromaticContact CD2-CE2 3.63Å; H458-F695 AromaticContact CD2-CZ 3.43Å; H458-F695 VanDerWaalsContact CD2-CZ 3.43Å; H458-F695 WeakPolarHBondContact CD2-CZ 3.33Å; H458-F695 AromaticContact CE1-CE1 3.9Å; H458-F695 AromaticContact CE1-CZ 3.47Å; H458-F695 VanDerWaalsContact CE1-CZ 3.47Å; H458-F695 WeakPolarHBondContact CE1-CZ 3.34Å; H458-F695 AromaticContact CG-CZ 3.56Å; H458-F695 AromaticContact ND1-CZ 3.59Å; H458-F695 AromaticContact NE2-CE2 3.74Å; H458-F695 AromaticContact NE2-CZ 3.34Å; H458-F695 VanDerWaalsContact NE2-CZ 3.34Å; H458-F695 WeakPolarHBondContact NE2-CZ 3.3Å; I463-F695 HydrophobicContact CD1-CD2 4.02Å; I463-F695 HydrophobicContact CD1-CE2 3.73Å; I463-F695 HydrophobicContact CD1-CZ 4.35Å; C466-F695 HydrophobicContact CB-CE1 4.25Å; C466-F695 HydrophobicContact CB-CZ 3.84Å; C467-F695 HydrophobicContact CB-CD1 4.38Å; E470-F695 HydrophobicContact CB-CE1 4.08Å; E470-F695 HydrophobicContact CG-CE1 4.41Å; Y673-F695 WeakPolarHBondContact CE1-O 3.19Å; Y673-F695 HydrophobicContact CE2-CD1 4.33Å; Y673-F695 WeakPolarHBondContact OH-CD1 3.28Å; Y673-F695 PolarHBondContact OH-O 3.49Å; Y677-F695 HydrophobicContact CD1-CB 3.66Å; Y677-F695 HydrophobicContact CD1-CG 4.16Å; Y677-F695 HydrophobicContact CD2-CB 3.76Å; Y677-F695 HydrophobicContact CD2-CD1 4.43Å; Y677-F695 HydrophobicContact CD2-CG 4.44Å; Y677-F695 HydrophobicContact CE1-CB 3.66Å; Y677-F695 AromaticContact CE1-CD1 3.87Å; Y677-F695 HydrophobicContact CE1-CD1 3.87Å; Y677-F695 HydrophobicContact CE1-CD2 4.16Å; Y677-F695 AromaticContact CE1-CG 3.62Å; Y677-F695 HydrophobicContact CE1-CG 3.62Å; Y677-F695 HydrophobicContact CE2-CB 3.77Å; Y677-F695 AromaticContact CE2-CD1 3.59Å; Y677-F695 HydrophobicContact CE2-CD1 3.59Å; Y677-F695 AromaticContact CE2-CG 3.96Å; Y677-F695 HydrophobicContact CE2-CG 3.96Å; Y677-F695 HydrophobicContact CG-CB 3.71Å; Y677-F695 AromaticContact CZ-CD1 3.25Å; Y677-F695 AromaticContact CZ-CE1 3.92Å; Y677-F695 AromaticContact CZ-CG 3.52Å; Y677-F695 WeakPolarHBondContact OH-CD1 3.41Å; Y677-F695 WeakPolarHBondContact OH-CE1 3.41Å; L691-F695 WeakPolarHBondContact O-CD2 3.49Å; L691-F695 PolarHBondContact O-N 3Å; A692-F695 PolarHBondContact O-N 2.84Å; K693-F695 PolarHBondContact O-N 3.49Å
696	L	94	Very high	91	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-46.9	174	-71.9	168.1	0	0	0	111.4	P538 I674 K681 A692 K693 L694 F794	P538-L696 HydrophobicContact CB-CB 4.28Å; P538-L696 HydrophobicContact CB-CD2 4.34Å; P538-L696 HydrophobicContact CG-CB 3.77Å; P538-L696 WeakPolarHBondContact CG-O 3.47Å; I674-L696 HydrophobicContact CD1-CD2 3.91Å; I674-L696 HydrophobicContact CG2-CD2 4.31Å; K681-L696 HydrophobicContact CB-CD1 4.46Å; K681-L696 HydrophobicContact CD-CD1 3.88Å; A692-L696 VanDerWaalsContact O-CG 3.3Å; A692-L696 WeakPolarHBondContact O-CG 3.19Å; A692-L696 PolarHBondContact O-N 3.34Å; K693-L696 PolarHBondContact O-N 3.1Å; L694-L696 PolarHBondContact O-N 2.86Å; L696-F794 HydrophobicContact CD1-CZ 4.27Å; L696-F794 HydrophobicContact CD2-CZ 4.39Å
697	N	91.2	Very high	91.3	Very high	71 Å²	71	33 Å²	33	38%	0.38	17%	0.172	S	C	.	.	H	α-helix	trans	-82.1	-17.9	-169.3	-70.1	-13.6	0	0	0	114.9	K693 L694 Y700	K693-N697 WeakPolarHBondContact O-CB 3.15Å; K693-N697 PolarHBondContact O-N 2.89Å; L694-N697 PolarHBondContact O-N 2.83Å; N697-Y700 WeakPolarHBondContact O-CD1 3.42Å; N697-Y700 WeakPolarHBondContact O-CE1 3.4Å
698	N	92.5	Very high	91.6	Very high	50 Å²	50	35.6 Å²	35.6	27%	0.267	19%	0.185	S	C	.	.	H	α-helix	trans	-100.2	-16.6	-172.6	-77.5	-84.9	0	0	0	115.1	L694 Y700	L694-N698 WeakPolarHBondContact O-CB 2.96Å; L694-N698 PolarHBondContact O-N 3.34Å; L694-N698 VanDerWaalsContact O-N 3.1Å; L694-N698 PolarHBondContact O-ND2 3.23Å; N698-Y700 PolarHBondContact O-N 3.31Å
699	L	94.6	Very high	91.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65	-41.3	-176	-179.4	60.2	0	0	0	112.5	C467 L468 Y471 M541 F670 Y673 G701 K702 M703	C467-L699 HydrophobicContact CB-CB 4.37Å; C467-L699 HydrophobicContact CB-CD1 4.46Å; L468-L699 HydrophobicContact CD1-CD1 4.42Å; Y471-L699 HydrophobicContact CD1-CD1 4.34Å; Y471-L699 HydrophobicContact CD1-CD2 4.46Å; Y471-L699 HydrophobicContact CD2-CD2 4Å; Y471-L699 HydrophobicContact CG-CD1 4.19Å; Y471-L699 HydrophobicContact CG-CD2 3.89Å; M541-L699 HydrophobicContact CE-CB 4.4Å; M541-L699 HydrophobicContact CE-CD2 3.82Å; M541-L699 HydrophobicContact CE-CG 4.12Å; F670-L699 HydrophobicContact CD1-CD2 4.26Å; Y673-L699 HydrophobicContact CD1-CD2 3.5Å; Y673-L699 HydrophobicContact CD2-CD2 4.22Å; Y673-L699 HydrophobicContact CE1-CB 3.92Å; Y673-L699 HydrophobicContact CE1-CD2 3.48Å; Y673-L699 VanDerWaalsContact CE1-CD2 3.48Å; Y673-L699 HydrophobicContact CE1-CG 4.3Å; Y673-L699 HydrophobicContact CE2-CD2 4.17Å; Y673-L699 HydrophobicContact CG-CD2 3.89Å; L699-G701 VanDerWaalsContact C-N 3.31Å; L699-G701 PolarHBondContact O-N 3.38Å; L699-K702 WeakPolarHBondContact O-CB 3.07Å; L699-K702 PolarHBondContact O-N 2.75Å; L699-K702 VanDerWaalsContact O-N 3.1Å; L699-M703 HydrophobicContact CD1-CE 4.49Å; L699-M703 PolarHBondContact O-N 3.44Å
700	Y	94	Very high	91.8	Very high	54 Å²	54	28.2 Å²	28.2	21%	0.212	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-40.2	-175.9	87.3	-85.7	0	0	0	112.3	Y537 N697 N698 K702 M703 A704 I743 T744	Y537-Y700 HydrophobicContact CD1-CD2 4.44Å; Y537-Y700 HydrophobicContact CD1-CE2 4.48Å; Y537-Y700 AromaticContact CD2-CD1 3.96Å; Y537-Y700 HydrophobicContact CD2-CD1 3.96Å; Y537-Y700 AromaticContact CD2-CE1 3.5Å; Y537-Y700 HydrophobicContact CD2-CE1 3.5Å; Y537-Y700 VanDerWaalsContact CD2-CE1 3.5Å; Y537-Y700 HydrophobicContact CD2-CE2 4.14Å; Y537-Y700 HydrophobicContact CD2-CG 4.46Å; Y537-Y700 AromaticContact CD2-CZ 3.6Å; Y537-Y700 HydrophobicContact CE1-CE2 4.39Å; Y537-Y700 AromaticContact CE2-CE1 3.93Å; Y537-Y700 HydrophobicContact CE2-CE1 3.93Å; Y537-Y700 HydrophobicContact CE2-CE2 4.02Å; Y537-Y700 AromaticContact CE2-CZ 3.54Å; Y537-Y700 WeakPolarHBondContact CE2-OH 3.43Å; Y537-Y700 HydrophobicContact CG-CD1 4.04Å; Y537-Y700 HydrophobicContact CG-CD2 4.36Å; Y537-Y700 HydrophobicContact CG-CE1 4.05Å; Y537-Y700 HydrophobicContact CG-CE2 4.36Å; Y537-Y700 HydrophobicContact CG-CG 4.2Å; N697-Y700 WeakPolarHBondContact O-CD1 3.42Å; N697-Y700 WeakPolarHBondContact O-CE1 3.4Å; N698-Y700 PolarHBondContact O-N 3.31Å; Y700-K702 PolarHBondContact O-N 3.36Å; Y700-M703 WeakPolarHBondContact O-CB 3.45Å; Y700-M703 PolarHBondContact O-N 2.94Å; Y700-A704 PolarHBondContact O-N 3.02Å; Y700-I743 HydrophobicContact CD2-CG2 4.49Å; Y700-T744 HydrophobicContact CE2-CG2 4.49Å
701	G	91.6	Very high	92	Very high	31 Å²	31	28.1 Å²	28.1	32%	0.32	16%	0.158	S	C	.	.	H	α-helix	trans	-64.3	-27.8	179.9	0	0	0	0	0	112.8	L699 A704 S705	L699-G701 VanDerWaalsContact C-N 3.31Å; L699-G701 PolarHBondContact O-N 3.38Å; G701-A704 PolarHBondContact O-N 3.14Å; G701-S705 PolarHBondContact O-N 2.83Å; G701-S705 PolarHBondContact O-OG 3.32Å
702	K	93.5	Very high	92.2	Very high	38 Å²	38	30.1 Å²	30.1	17%	0.165	17%	0.167	C	C	.	.	H	α-helix	trans	-71.8	-32	172.8	-75	-62.3	-161.3	172.3	0	113	G464 S465 L468 L699 Y700 A704 S705 G735	G464-K702 VanDerWaalsContact O-CE 3.28Å; G464-K702 WeakPolarHBondContact O-CE 3.45Å; G464-K702 VanDerWaalsContact O-CG 3.32Å; G464-K702 WeakPolarHBondContact O-CG 3.5Å; S465-K702 VanDerWaalsContact N-CE 3.27Å; S465-K702 PolarHBondContact OG-NZ 3.16Å; L468-K702 HydrophobicContact CB-CB 4.34Å; L468-K702 HydrophobicContact CB-CG 4.28Å; L468-K702 HydrophobicContact CD2-CB 4.46Å; L699-K702 WeakPolarHBondContact O-CB 3.07Å; L699-K702 PolarHBondContact O-N 2.75Å; L699-K702 VanDerWaalsContact O-N 3.1Å; Y700-K702 PolarHBondContact O-N 3.36Å; K702-A704 PolarHBondContact O-N 3.46Å; K702-S705 WeakPolarHBondContact O-CB 3.47Å; K702-S705 PolarHBondContact O-N 2.54Å; K702-S705 PolarHBondContact O-OG 3.25Å; K702-G735 WeakPolarHBondContact O-CA 3.45Å
703	M	94.2	Very high	92.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.2	-25.5	173.3	-61.1	-54.9	-167.8	0	0	112.3	Y471 F484 F670 L699 Y700 G735 Y736 I737 V739	Y471-M703 HydrophobicContact CD1-CE 3.6Å; Y471-M703 HydrophobicContact CE1-CE 3.29Å; F484-M703 HydrophobicContact CE2-CE 4.45Å; F670-M703 HydrophobicContact CE1-CE 3.77Å; F670-M703 HydrophobicContact CZ-CE 4.43Å; L699-M703 HydrophobicContact CD1-CE 4.49Å; L699-M703 PolarHBondContact O-N 3.44Å; Y700-M703 WeakPolarHBondContact O-CB 3.45Å; Y700-M703 PolarHBondContact O-N 2.94Å; M703-G735 CarbonylContact O-C 3.5Å; M703-G735 VanDerWaalsContact O-C 3.3Å; M703-G735 WeakPolarHBondContact O-CA 3.33Å; M703-Y736 CarbonylContact O-C 3.59Å; M703-Y736 PolarHBondContact O-N 3.25Å; M703-Y736 VanDerWaalsContact O-O 3.1Å; M703-I737 PolarHBondContact O-N 2.9Å; M703-V739 HydrophobicContact CB-CB 4.39Å; M703-V739 HydrophobicContact CB-CG1 3.82Å; M703-V739 HydrophobicContact CG-CG1 3.79Å
704	A	93.9	Very high	92.5	Very high	13 Å²	13	26.9 Å²	26.9	11%	0.107	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	15.1	177.2	0	0	0	0	0	114.3	Y509 Y700 G701 K702 S706 I737	Y509-A704 HydrophobicContact CD2-CB 4.48Å; Y509-A704 HydrophobicContact CE1-CB 3.92Å; Y509-A704 HydrophobicContact CE2-CB 3.75Å; Y509-A704 VanDerWaalsContact CZ-CB 3.43Å; Y509-A704 WeakPolarHBondContact OH-CB 3.21Å; Y700-A704 PolarHBondContact O-N 3.02Å; G701-A704 PolarHBondContact O-N 3.14Å; K702-A704 PolarHBondContact O-N 3.46Å; A704-S706 PolarHBondContact O-N 3.12Å; A704-I737 HydrophobicContact CB-CD1 4.17Å
705	S	92.3	Very high	92.6	Very high	22 Å²	22	30.7 Å²	30.7	15%	0.154	17%	0.169	C	C	.	.			trans	-64.2	127.6	179.5	-72.5	0	0	0	0	111.2	G701 K702 P734 G735	G701-S705 PolarHBondContact O-N 2.83Å; G701-S705 PolarHBondContact O-OG 3.32Å; K702-S705 WeakPolarHBondContact O-CB 3.47Å; K702-S705 PolarHBondContact O-N 2.54Å; K702-S705 PolarHBondContact O-OG 3.25Å; S705-P734 WeakPolarHBondContact O-CA 3.3Å; S705-P734 WeakPolarHBondContact O-CB 3.47Å; S705-G735 PolarHBondContact O-N 2.75Å
706	S	88.9	Confident	92.7	Very high	52 Å²	52	33.8 Å²	33.8	36%	0.364	19%	0.188	S	C	.	.			trans	-78.6	161.1	177	61.2	0	0	0	0	112.1	A704 N708	A704-S706 PolarHBondContact O-N 3.12Å; S706-N708 PolarHBondContact O-N 2.97Å
707	P	89.6	Confident	92.7	Very high	25 Å²	25	38.2 Å²	38.2	16%	0.162	21%	0.207	C	C	.	.	S	Bend	trans	-73.1	-14.6	171.6	30.2	-36.1	0	0	0	113.4	Y488 S709 N730 K732	Y488-P707 HydrophobicContact CD1-CG 3.9Å; Y488-P707 HydrophobicContact CE1-CG 3.8Å; Y488-P707 HydrophobicContact CG-CG 4.43Å; P707-S709 PolarHBondContact O-N 3.21Å; P707-N730 CarbonylContact O-C 3.54Å; P707-N730 VanDerWaalsContact O-CA 3.26Å; P707-N730 WeakPolarHBondContact O-CA 3.43Å; P707-K732 WeakPolarHBondContact CA-O 3.26Å; P707-K732 PolarHBondContact O-N 2.79Å
708	N	89.2	Confident	92.8	Very high	66 Å²	66	44.5 Å²	44.5	35%	0.353	23%	0.234	S	C	.	.			trans	-58.7	121.4	178.1	-178	-49.7	0	0	0	110.3	S706 D710 N730	S706-N708 PolarHBondContact O-N 2.97Å; N708-D710 VanDerWaalsContact ND2-CG 3.32Å; N708-D710 PolarHBondContact ND2-OD2 3.41Å; N708-D710 VanDerWaalsContact OD1-CB 3.31Å; N708-D710 WeakPolarHBondContact OD1-CB 3.25Å; N708-D710 PolarHBondContact OD1-N 2.89Å; N708-D710 PolarHBondContact OD1-OD2 3.05Å; N708-N730 WeakPolarHBondContact CA-OD1 3.39Å
709	S	88.3	Confident	92.9	Very high	27 Å²	27	46.3 Å²	46.3	19%	0.189	24%	0.244	C	C	.	.			trans	-124.2	20.9	179.8	50.5	0	0	0	0	111.4	P707 F711 A729 N730 D731	P707-S709 PolarHBondContact O-N 3.21Å; S709-F711 PolarHBondContact O-N 3.06Å; S709-A729 CarbonylContact C-O 3.5Å; S709-A729 PolarHBondContact N-O 3.2Å; S709-A729 WeakPolarHBondContact OG-CB 3.26Å; S709-A729 PolarHBondContact OG-O 2.96Å; S709-N730 PolarHBondContact OG-N 3.41Å; S709-D731 VanDerWaalsContact CB-OD1 3.3Å; S709-D731 WeakPolarHBondContact CB-OD1 3.38Å; S709-D731 PolarHBondContact OG-N 2.85Å; S709-D731 VanDerWaalsContact OG-N 3.13Å; S709-D731 PolarHBondContact OG-OD1 2.79Å
710	D	91.5	Very high	92.8	Very high	14 Å²	14	52.6 Å²	52.6	8%	0.075	27%	0.271	C	S	.	.			trans	-46	135.3	175.2	-64	-15.2	0	0	0	109.6	S373 G374 N708 T726 I727 R728 A729	S373-D710 CarbonylContact C-O 3.48Å; G374-D710 PolarHBondContact N-O 2.77Å; N708-D710 VanDerWaalsContact ND2-CG 3.32Å; N708-D710 PolarHBondContact ND2-OD2 3.41Å; N708-D710 VanDerWaalsContact OD1-CB 3.31Å; N708-D710 WeakPolarHBondContact OD1-CB 3.25Å; N708-D710 PolarHBondContact OD1-N 2.89Å; N708-D710 PolarHBondContact OD1-OD2 3.05Å; D710-T726 HydrophobicContact CB-CG2 4.38Å; D710-I727 VanDerWaalsContact CA-O 3.31Å; D710-I727 WeakPolarHBondContact CA-O 3.43Å; D710-R728 VanDerWaalsContact CG-CD 3.48Å; D710-R728 WeakPolarHBondContact OD1-CA 3.38Å; D710-R728 WeakPolarHBondContact OD1-CD 3.41Å; D710-R728 VanDerWaalsContact OD2-CD 3.26Å; D710-R728 WeakPolarHBondContact OD2-CD 3.3Å; D710-R728 IonicContact OD2-CZ 2.61Å; D710-R728 IonicContact OD2-NE 2.66Å; D710-R728 IonicContact OD2-NH1 3.24Å; D710-R728 PolarHBondContact OD2-NH1 3.21Å; D710-A729 PolarHBondContact N-O 2.77Å; D710-A729 PolarHBondContact OD1-N 3.43Å
711	F	92.7	Very high	92.9	Very high	41 Å²	41	50.1 Å²	50.1	18%	0.18	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	169.7	-175.7	63.8	-86.1	0	0	0	110.9	F355 I372 S709 I713 T726 I727 A729	F355-F711 HydrophobicContact CB-CE2 4.12Å; F355-F711 HydrophobicContact CB-CZ 3.93Å; F355-F711 WeakPolarHBondContact O-CZ 3.26Å; I372-F711 CarbonylContact O-C 3.55Å; I372-F711 WeakPolarHBondContact O-CA 3.4Å; I372-F711 VanDerWaalsContact O-CB 3.29Å; I372-F711 WeakPolarHBondContact O-CB 3.43Å; S709-F711 PolarHBondContact O-N 3.06Å; F711-I713 HydrophobicContact CD2-CD1 4.18Å; F711-I713 HydrophobicContact CD2-CG1 4.28Å; F711-I713 HydrophobicContact CE2-CD1 3.75Å; F711-I713 HydrophobicContact CE2-CG1 3.83Å; F711-T726 CarbonylContact O-C 3.44Å; F711-T726 WeakPolarHBondContact O-CA 3.2Å; F711-I727 HydrophobicContact CD1-CB 4.43Å; F711-I727 HydrophobicContact CD2-CB 4.3Å; F711-I727 HydrophobicContact CE1-CB 4.02Å; F711-I727 HydrophobicContact CE1-CG2 3.86Å; F711-I727 HydrophobicContact CE2-CB 3.87Å; F711-I727 HydrophobicContact CE2-CG1 4Å; F711-I727 HydrophobicContact CE2-CG2 4.24Å; F711-I727 HydrophobicContact CZ-CB 3.72Å; F711-I727 HydrophobicContact CZ-CG1 4.23Å; F711-I727 HydrophobicContact CZ-CG2 3.6Å; F711-I727 PolarHBondContact N-O 2.79Å; F711-I727 PolarHBondContact O-N 2.83Å; F711-A729 HydrophobicContact CD1-CB 4.17Å; F711-A729 HydrophobicContact CE1-CB 4.05Å
712	K	94.7	Very high	93.1	Very high	46 Å²	46	49.4 Å²	49.4	20%	0.2	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.5	179.6	-69.4	-175.8	179	-169	0	110.8	Y370 I372 G374 F724 R725	Y370-K712 WeakPolarHBondContact CE2-O 3.47Å; I372-K712 HydrophobicContact CB-CB 4.22Å; I372-K712 HydrophobicContact CG2-CB 4.03Å; I372-K712 HydrophobicContact CG2-CD 4.16Å; I372-K712 HydrophobicContact CG2-CG 4.4Å; I372-K712 PolarHBondContact O-N 3.23Å; G374-K712 WeakPolarHBondContact O-CE 3.4Å; K712-F724 HydrophobicContact CB-CB 4.23Å; K712-F724 HydrophobicContact CB-CD1 3.98Å; K712-F724 HydrophobicContact CB-CG 4.49Å; K712-F724 HydrophobicContact CD-CB 3.98Å; K712-F724 HydrophobicContact CD-CD1 4.5Å; K712-F724 HydrophobicContact CD-CG 4.35Å; K712-F724 HydrophobicContact CG-CB 4.46Å; K712-R725 CarbonylContact C-O 3.44Å; K712-R725 VanDerWaalsContact CA-O 3.25Å; K712-R725 WeakPolarHBondContact CA-O 3.27Å
713	I	94.6	Very high	93.1	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127	166.5	-65.6	-63.9	0	0	0	108.5	F347 F355 F711 F724 R725 I727	F347-I713 HydrophobicContact CD1-CD1 3.61Å; F347-I713 HydrophobicContact CD2-CD1 3.94Å; F347-I713 HydrophobicContact CE1-CD1 3.48Å; F347-I713 VanDerWaalsContact CE1-CD1 3.48Å; F347-I713 HydrophobicContact CE2-CD1 3.83Å; F347-I713 HydrophobicContact CG-CD1 3.84Å; F347-I713 HydrophobicContact CZ-CD1 3.59Å; F355-I713 HydrophobicContact CB-CD1 4.49Å; F355-I713 HydrophobicContact CB-CG1 4.45Å; F355-I713 HydrophobicContact CD2-CG1 4.44Å; F355-I713 HydrophobicContact CG-CG1 4.2Å; F711-I713 HydrophobicContact CD2-CD1 4.18Å; F711-I713 HydrophobicContact CD2-CG1 4.28Å; F711-I713 HydrophobicContact CE2-CD1 3.75Å; F711-I713 HydrophobicContact CE2-CG1 3.83Å; I713-F724 CarbonylContact O-C 3.45Å; I713-F724 WeakPolarHBondContact O-CA 3.28Å; I713-R725 HydrophobicContact CB-CG 3.92Å; I713-R725 HydrophobicContact CG2-CG 4.43Å; I713-R725 PolarHBondContact N-O 3.06Å; I713-R725 WeakPolarHBondContact O-CG 3.23Å; I713-R725 PolarHBondContact O-N 2.9Å; I713-I727 HydrophobicContact CB-CG1 4.4Å; I713-I727 HydrophobicContact CG1-CG1 3.73Å
714	A	95.6	Very high	93.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	148.8	174.6	0	0	0	0	0	112.2	L334 L338 Q345 Y370 I722 G723 F724	L334-A714 HydrophobicContact CD2-CB 3.7Å; L334-A714 HydrophobicContact CG-CB 4.46Å; L338-A714 HydrophobicContact CD1-CB 4.05Å; Q345-A714 PolarHBondContact NE2-O 3.42Å; Q345-A714 PolarHBondContact OE1-O 3.38Å; Y370-A714 HydrophobicContact CE1-CB 4.4Å; Y370-A714 HydrophobicContact CE2-CB 4.38Å; Y370-A714 WeakPolarHBondContact OH-CB 3.45Å; Y370-A714 PolarHBondContact OH-N 3.01Å; A714-I722 HydrophobicContact CB-CG2 3.83Å; A714-G723 CarbonylContact C-O 3.52Å; A714-G723 WeakPolarHBondContact CA-O 3.41Å; A714-F724 HydrophobicContact CB-CD1 4.01Å; A714-F724 HydrophobicContact CB-CE1 3.76Å; A714-F724 HydrophobicContact CB-CZ 4.44Å
715	F	94.1	Very high	93.1	Very high	90 Å²	90	53.2 Å²	53.2	40%	0.395	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.9	170.8	62.7	-90	0	0	0	109.9	K717 G723 F724	F715-K717 HydrophobicContact CD2-CG 4.27Å; F715-K717 HydrophobicContact CE2-CG 3.84Å; F715-G723 VanDerWaalsContact CE1-C 3.45Å; F715-G723 PolarHBondContact N-O 3.29Å; F715-G723 PolarHBondContact O-N 3.19Å; F715-F724 VanDerWaalsContact CE1-N 3.32Å
716	T	94.9	Very high	93.2	Very high	65 Å²	65	55.3 Å²	55.3	40%	0.399	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.8	175.7	-52.2	0	0	0	0	109.1	V339	V339-T716 HydrophobicContact CG2-CG2 3.88Å
717	K	95.2	Very high	93.3	Very high	94 Å²	94	53.1 Å²	53.1	41%	0.409	26%	0.26	S	S	.	.			trans	-83.6	169.1	172.4	-63.1	-168.7	-151	152.6	0	111.4	F715 D719 K720 T721	F715-K717 HydrophobicContact CD2-CG 4.27Å; F715-K717 HydrophobicContact CE2-CG 3.84Å; K717-D719 VanDerWaalsContact CB-OD1 3.23Å; K717-D719 WeakPolarHBondContact CB-OD1 3.22Å; K717-D719 PolarHBondContact O-N 3.19Å; K717-K720 WeakPolarHBondContact O-CA 3.37Å; K717-K720 PolarHBondContact O-N 2.78Å; K717-T721 WeakPolarHBondContact CB-O 3.35Å; K717-T721 WeakPolarHBondContact CD-OG1 3.19Å; K717-T721 PolarHBondContact N-O 2.71Å; K717-T721 PolarHBondContact NZ-OG1 2.94Å
718	E	93.3	Very high	93.3	Very high	203 Å²	203	61.1 Å²	61.1	95%	0.949	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-37.2	176.8	-65.1	179.8	177.9	0	0	112.8	K720	E718-K720 PolarHBondContact O-N 3.28Å
719	D	93.6	Very high	93	Very high	89 Å²	89	58.9 Å²	58.9	48%	0.476	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	5.9	176	68.6	-2.2	0	0	0	113.7	K717 T721 P902	K717-D719 VanDerWaalsContact CB-OD1 3.23Å; K717-D719 WeakPolarHBondContact CB-OD1 3.22Å; K717-D719 PolarHBondContact O-N 3.19Å; D719-T721 PolarHBondContact O-N 3.14Å; D719-T721 VanDerWaalsContact OD1-CB 3.25Å; D719-T721 WeakPolarHBondContact OD1-CB 3.48Å; D719-T721 WeakPolarHBondContact OD1-CG2 3.18Å; D719-T721 PolarHBondContact OD1-N 2.77Å; D719-T721 PolarHBondContact OD1-OG1 2.91Å; D719-T721 WeakPolarHBondContact OD2-CG2 3.47Å; D719-T721 PolarHBondContact OD2-OG1 3.2Å; D719-P902 WeakPolarHBondContact O-CG 3.48Å
720	K	94	Very high	92.6	Very high	131 Å²	131	62.9 Å²	62.9	57%	0.57	30%	0.297	S	S	*	.	S	Bend	trans	65.5	12.6	-174.4	-54.5	-178.8	178.5	-179.8	0	115.1	V339 K717 E718	V339-K720 HydrophobicContact CG1-CB 3.88Å; V339-K720 HydrophobicContact CG1-CD 4.01Å; V339-K720 HydrophobicContact CG1-CG 4.18Å; K717-K720 WeakPolarHBondContact O-CA 3.37Å; K717-K720 PolarHBondContact O-N 2.78Å; E718-K720 PolarHBondContact O-N 3.28Å
721	T	95	Very high	92.1	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.018	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-78.5	151.2	169	66.5	0	0	0	0	111.6	K717 D719 P902	K717-T721 WeakPolarHBondContact CB-O 3.35Å; K717-T721 WeakPolarHBondContact CD-OG1 3.19Å; K717-T721 PolarHBondContact N-O 2.71Å; K717-T721 PolarHBondContact NZ-OG1 2.94Å; D719-T721 PolarHBondContact O-N 3.14Å; D719-T721 VanDerWaalsContact OD1-CB 3.25Å; D719-T721 WeakPolarHBondContact OD1-CB 3.48Å; D719-T721 WeakPolarHBondContact OD1-CG2 3.18Å; D719-T721 PolarHBondContact OD1-N 2.77Å; D719-T721 PolarHBondContact OD1-OG1 2.91Å; D719-T721 WeakPolarHBondContact OD2-CG2 3.47Å; D719-T721 PolarHBondContact OD2-OG1 3.2Å; T721-P902 HydrophobicContact CG2-CG 4.1Å
722	I	95.8	Very high	91.8	Very high	15 Å²	15	70.8 Å²	70.8	8%	0.077	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.4	174.5	-57.4	-56.1	0	0	0	110.8	L334 L338 V339 A714 F724 R900	L334-I722 HydrophobicContact CD2-CG2 4.29Å; L338-I722 HydrophobicContact CB-CD1 4.23Å; L338-I722 HydrophobicContact CD1-CD1 4.15Å; V339-I722 HydrophobicContact CG2-CD1 3.92Å; A714-I722 HydrophobicContact CB-CG2 3.83Å; I722-F724 HydrophobicContact CG2-CE1 4.37Å; I722-F724 HydrophobicContact CG2-CE2 3.88Å; I722-F724 HydrophobicContact CG2-CZ 3.77Å; I722-R900 WeakPolarHBondContact O-CD 3.48Å
723	G	94.8	Very high	91.4	Very high	6 Å²	6	73.9 Å²	73.9	6%	0.062	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	166	166.9	0	0	0	0	0	112.2	A714 F715	A714-G723 CarbonylContact C-O 3.52Å; A714-G723 WeakPolarHBondContact CA-O 3.41Å; F715-G723 VanDerWaalsContact CE1-C 3.45Å; F715-G723 PolarHBondContact N-O 3.29Å; F715-G723 PolarHBondContact O-N 3.19Å
724	F	95	Very high	91.3	Very high	40 Å²	40	74.8 Å²	74.8	18%	0.175	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.4	176.3	-65.2	-87.8	0	0	0	111.4	L334 I372 W378 K712 I713 A714 F715 I722	L334-F724 HydrophobicContact CD2-CE1 4.02Å; L334-F724 HydrophobicContact CD2-CZ 4.07Å; I372-F724 HydrophobicContact CD1-CD1 4.3Å; I372-F724 HydrophobicContact CD1-CE1 3.54Å; I372-F724 HydrophobicContact CD1-CZ 4.31Å; W378-F724 HydrophobicContact CH2-CE1 4.34Å; W378-F724 AromaticContact CH2-CZ 3.87Å; W378-F724 HydrophobicContact CH2-CZ 3.87Å; W378-F724 HydrophobicContact CZ2-CE1 4.01Å; W378-F724 HydrophobicContact CZ2-CE2 4.33Å; W378-F724 AromaticContact CZ2-CZ 3.48Å; W378-F724 HydrophobicContact CZ2-CZ 3.48Å; W378-F724 VanDerWaalsContact CZ2-CZ 3.48Å; K712-F724 HydrophobicContact CB-CB 4.23Å; K712-F724 HydrophobicContact CB-CD1 3.98Å; K712-F724 HydrophobicContact CB-CG 4.49Å; K712-F724 HydrophobicContact CD-CB 3.98Å; K712-F724 HydrophobicContact CD-CD1 4.5Å; K712-F724 HydrophobicContact CD-CG 4.35Å; K712-F724 HydrophobicContact CG-CB 4.46Å; I713-F724 CarbonylContact O-C 3.45Å; I713-F724 WeakPolarHBondContact O-CA 3.28Å; A714-F724 HydrophobicContact CB-CD1 4.01Å; A714-F724 HydrophobicContact CB-CE1 3.76Å; A714-F724 HydrophobicContact CB-CZ 4.44Å; F715-F724 VanDerWaalsContact CE1-N 3.32Å; I722-F724 HydrophobicContact CG2-CE1 4.37Å; I722-F724 HydrophobicContact CG2-CE2 3.88Å; I722-F724 HydrophobicContact CG2-CZ 3.77Å
725	R	92.8	Very high	91.2	Very high	85 Å²	85	75.3 Å²	75.3	32%	0.321	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.7	167.5	59.9	175.2	171.4	176.4	-8.8	109.9	E352 F355 K712 I713 I727	E352-R725 PolarHBondContact O-NH1 2.81Å; F355-R725 VanDerWaalsContact CZ-CZ 3.41Å; K712-R725 CarbonylContact C-O 3.44Å; K712-R725 VanDerWaalsContact CA-O 3.25Å; K712-R725 WeakPolarHBondContact CA-O 3.27Å; I713-R725 HydrophobicContact CB-CG 3.92Å; I713-R725 HydrophobicContact CG2-CG 4.43Å; I713-R725 PolarHBondContact N-O 3.06Å; I713-R725 WeakPolarHBondContact O-CG 3.23Å; I713-R725 PolarHBondContact O-N 2.9Å; R725-I727 HydrophobicContact CG-CD1 4.25Å
726	T	93.6	Very high	91.3	Very high	67 Å²	67	71.2 Å²	71.2	41%	0.411	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.6	176	-59.8	0	0	0	0	109.7	D710 F711	D710-T726 HydrophobicContact CB-CG2 4.38Å; F711-T726 CarbonylContact O-C 3.44Å; F711-T726 WeakPolarHBondContact O-CA 3.2Å
727	I	91	Very high	91.4	Very high	5 Å²	5	68.2 Å²	68.2	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.3	172.4	-53.3	-55	0	0	0	108.2	N353 F355 D710 F711 I713 R725	N353-I727 VanDerWaalsContact O-CG2 3.31Å; N353-I727 WeakPolarHBondContact O-CG2 3.27Å; F355-I727 HydrophobicContact CD2-CD1 3.77Å; F355-I727 HydrophobicContact CD2-CG1 3.96Å; F355-I727 HydrophobicContact CE2-CD1 4.06Å; D710-I727 VanDerWaalsContact CA-O 3.31Å; D710-I727 WeakPolarHBondContact CA-O 3.43Å; F711-I727 HydrophobicContact CD1-CB 4.43Å; F711-I727 HydrophobicContact CD2-CB 4.3Å; F711-I727 HydrophobicContact CE1-CB 4.02Å; F711-I727 HydrophobicContact CE1-CG2 3.86Å; F711-I727 HydrophobicContact CE2-CB 3.87Å; F711-I727 HydrophobicContact CE2-CG1 4Å; F711-I727 HydrophobicContact CE2-CG2 4.24Å; F711-I727 HydrophobicContact CZ-CB 3.72Å; F711-I727 HydrophobicContact CZ-CG1 4.23Å; F711-I727 HydrophobicContact CZ-CG2 3.6Å; F711-I727 PolarHBondContact N-O 2.79Å; F711-I727 PolarHBondContact O-N 2.83Å; I713-I727 HydrophobicContact CB-CG1 4.4Å; I713-I727 HydrophobicContact CG1-CG1 3.73Å; R725-I727 HydrophobicContact CG-CD1 4.25Å
728	R	88.7	Confident	91.6	Very high	193 Å²	193	63.7 Å²	63.7	73%	0.728	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-85.2	133.6	-179.7	-66.1	-65.3	-170.3	170.9	3.3	110.6	D710	D710-R728 VanDerWaalsContact CG-CD 3.48Å; D710-R728 WeakPolarHBondContact OD1-CA 3.38Å; D710-R728 WeakPolarHBondContact OD1-CD 3.41Å; D710-R728 VanDerWaalsContact OD2-CD 3.26Å; D710-R728 WeakPolarHBondContact OD2-CD 3.3Å; D710-R728 IonicContact OD2-CZ 2.61Å; D710-R728 IonicContact OD2-NE 2.66Å; D710-R728 IonicContact OD2-NH1 3.24Å; D710-R728 PolarHBondContact OD2-NH1 3.21Å
729	A	83.2	Confident	91.8	Very high	20 Å²	20	54 Å²	54	17%	0.165	27%	0.271	C	S	.	.			trans	-150.5	148.7	176.5	0	0	0	0	0	111.1	S709 D710 F711	S709-A729 CarbonylContact C-O 3.5Å; S709-A729 PolarHBondContact N-O 3.2Å; S709-A729 WeakPolarHBondContact OG-CB 3.26Å; S709-A729 PolarHBondContact OG-O 2.96Å; D710-A729 PolarHBondContact N-O 2.77Å; D710-A729 PolarHBondContact OD1-N 3.43Å; F711-A729 HydrophobicContact CD1-CB 4.17Å; F711-A729 HydrophobicContact CE1-CB 4.05Å
730	N	80.9	Confident	92	Very high	110 Å²	110	49.8 Å²	49.8	59%	0.588	25%	0.248	S	C	*	.			trans	-141.1	37.3	-177.6	-71.3	-62.3	0	0	0	112.9	P707 N708 S709	P707-N730 CarbonylContact O-C 3.54Å; P707-N730 VanDerWaalsContact O-CA 3.26Å; P707-N730 WeakPolarHBondContact O-CA 3.43Å; N708-N730 WeakPolarHBondContact CA-OD1 3.39Å; S709-N730 PolarHBondContact OG-N 3.41Å
731	D	80.9	Confident	92.2	Very high	133 Å²	133	43.6 Å²	43.6	71%	0.711	22%	0.221	S	C	*	.			trans	-106.1	0	-171.9	67.7	-27.7	0	0	0	114.1	S709	S709-D731 VanDerWaalsContact CB-OD1 3.3Å; S709-D731 WeakPolarHBondContact CB-OD1 3.38Å; S709-D731 PolarHBondContact OG-N 2.85Å; S709-D731 VanDerWaalsContact OG-N 3.13Å; S709-D731 PolarHBondContact OG-OD1 2.79Å
732	K	85.4	Confident	92.3	Very high	88 Å²	88	43.4 Å²	43.4	38%	0.383	22%	0.22	S	C	.	.	S	Bend	trans	-72.2	134.8	178.2	173.2	-178.3	173.7	-166.7	0	110.6	P707 P734	P707-K732 WeakPolarHBondContact CA-O 3.26Å; P707-K732 PolarHBondContact O-N 2.79Å; K732-P734 VanDerWaalsContact O-CD 3.32Å; K732-P734 WeakPolarHBondContact O-CD 3.16Å; K732-P734 VanDerWaalsContact O-N 3.14Å
733	T	87.3	Confident	92.4	Very high	112 Å²	112	42.7 Å²	42.7	69%	0.687	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-58.1	118.8	171.9	-49.6	0	0	0	0	110.4
734	P	92.6	Very high	92.6	Very high	20 Å²	20	42.5 Å²	42.5	13%	0.13	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-74.5	167.1	-178.3	30.5	-33.7	0	0	0	111.6	D486 Y488 S705 K732	D486-P734 VanDerWaalsContact OD1-CG 3.24Å; D486-P734 WeakPolarHBondContact OD1-CG 3.35Å; Y488-P734 HydrophobicContact CD2-CB 3.59Å; Y488-P734 HydrophobicContact CD2-CG 3.33Å; Y488-P734 HydrophobicContact CE2-CB 3.59Å; Y488-P734 HydrophobicContact CE2-CG 3.91Å; Y488-P734 HydrophobicContact CG-CG 4.07Å; S705-P734 WeakPolarHBondContact O-CA 3.3Å; S705-P734 WeakPolarHBondContact O-CB 3.47Å; K732-P734 VanDerWaalsContact O-CD 3.32Å; K732-P734 WeakPolarHBondContact O-CD 3.16Å; K732-P734 VanDerWaalsContact O-N 3.14Å
735	G	93	Very high	92.7	Very high	13 Å²	13	40.6 Å²	40.6	13%	0.134	21%	0.205	C	C	.	.			trans	-76.7	-176.9	163.4	0	0	0	0	0	111.4	K702 M703 S705 I737	K702-G735 WeakPolarHBondContact O-CA 3.45Å; M703-G735 CarbonylContact O-C 3.5Å; M703-G735 VanDerWaalsContact O-C 3.3Å; M703-G735 WeakPolarHBondContact O-CA 3.33Å; S705-G735 PolarHBondContact O-N 2.75Å; G735-I737 PolarHBondContact O-N 2.96Å
736	Y	96.9	Very high	93	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.012	19%	0.194	C	C	.	.			trans	-92.2	85.4	172.3	-166.2	-104.3	0	0	0	110.9	F484 P485 L487 P550 G552 F663 M703 P738 V739 G740	F484-Y736 VanDerWaalsContact CA-CD2 3.5Å; F484-Y736 HydrophobicContact CB-CD2 3.93Å; F484-Y736 HydrophobicContact CB-CG 3.88Å; F484-Y736 AromaticContact CD1-CD1 3.53Å; F484-Y736 HydrophobicContact CD1-CD1 3.53Å; F484-Y736 HydrophobicContact CD1-CD2 4.35Å; F484-Y736 HydrophobicContact CD1-CE1 4.06Å; F484-Y736 AromaticContact CD1-CG 3.68Å; F484-Y736 HydrophobicContact CD1-CG 3.68Å; F484-Y736 HydrophobicContact CE1-CD1 4.25Å; F484-Y736 HydrophobicContact CG-CD1 4.47Å; F484-Y736 HydrophobicContact CG-CG 4.2Å; P485-Y736 HydrophobicContact CG-CE2 4.05Å; P485-Y736 VanDerWaalsContact O-CD2 3.25Å; P485-Y736 WeakPolarHBondContact O-CD2 3.31Å; P485-Y736 WeakPolarHBondContact O-CE2 3.4Å; L487-Y736 HydrophobicContact CD1-CD2 4.49Å; L487-Y736 HydrophobicContact CD1-CE2 3.91Å; L487-Y736 HydrophobicContact CD2-CE2 4Å; L487-Y736 HydrophobicContact CG-CD2 4.27Å; L487-Y736 HydrophobicContact CG-CE2 3.8Å; P550-Y736 WeakPolarHBondContact O-CE1 3.41Å; G552-Y736 PolarHBondContact N-OH 3.43Å; G552-Y736 PolarHBondContact O-OH 3.29Å; F663-Y736 VanDerWaalsContact CD1-OH 3.3Å; F663-Y736 WeakPolarHBondContact CD1-OH 3.17Å; F663-Y736 WeakPolarHBondContact CE1-OH 3.3Å; M703-Y736 CarbonylContact O-C 3.59Å; M703-Y736 PolarHBondContact O-N 3.25Å; M703-Y736 VanDerWaalsContact O-O 3.1Å; Y736-P738 VanDerWaalsContact C-N 3.33Å; Y736-P738 HydrophobicContact CD1-CB 4.34Å; Y736-P738 HydrophobicContact CD1-CG 4.18Å; Y736-P738 HydrophobicContact CE1-CB 3.89Å; Y736-P738 HydrophobicContact CE1-CG 3.76Å; Y736-P738 HydrophobicContact CE2-CG 4.4Å; Y736-P738 WeakPolarHBondContact O-CD 3.31Å; Y736-P738 VanDerWaalsContact O-N 3.15Å; Y736-V739 HydrophobicContact CD1-CB 4.02Å; Y736-V739 HydrophobicContact CD1-CG2 3.61Å; Y736-V739 HydrophobicContact CE1-CG2 4.05Å; Y736-V739 WeakPolarHBondContact O-CB 3.43Å; Y736-V739 PolarHBondContact O-N 2.92Å; Y736-G740 PolarHBondContact O-N 3.39Å
737	I	97.3	Very high	93.2	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-53.5	-32.1	-171.1	-168.9	59.5	0	0	0	115.8	Y488 V505 N506 Y509 M703 A704 G735 V739 G740 S741	Y488-I737 HydrophobicContact CE2-CG2 4.27Å; V505-I737 HydrophobicContact CB-CG2 4.09Å; V505-I737 HydrophobicContact CG1-CG2 4.06Å; N506-I737 HydrophobicContact CB-CG1 4.03Å; Y509-I737 HydrophobicContact CD1-CD1 4.11Å; Y509-I737 HydrophobicContact CD2-CD1 4.33Å; Y509-I737 HydrophobicContact CG-CD1 3.88Å; M703-I737 PolarHBondContact O-N 2.9Å; A704-I737 HydrophobicContact CB-CD1 4.17Å; G735-I737 PolarHBondContact O-N 2.96Å; I737-V739 VanDerWaalsContact C-N 3.27Å; I737-V739 PolarHBondContact O-N 2.69Å; I737-G740 PolarHBondContact O-N 3.14Å; I737-S741 WeakPolarHBondContact O-CB 3.19Å; I737-S741 PolarHBondContact O-N 2.74Å
738	P	98.3	Very high	93.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-39.2	175.7	-22	32.5	0	0	0	112.9	L487 V505 P550 F574 F663 Y736 A742	L487-P738 HydrophobicContact CD1-CG 3.32Å; V505-P738 HydrophobicContact CG1-CB 4.14Å; V505-P738 HydrophobicContact CG1-CG 3.98Å; V505-P738 HydrophobicContact CG2-CG 4.48Å; P550-P738 HydrophobicContact CB-CB 3.89Å; P550-P738 VanDerWaalsContact CG-C 3.49Å; P550-P738 HydrophobicContact CG-CB 3.42Å; P550-P738 VanDerWaalsContact CG-CB 3.42Å; F574-P738 HydrophobicContact CE2-CB 3.92Å; F574-P738 HydrophobicContact CZ-CB 3.73Å; F663-P738 HydrophobicContact CE1-CB 4.46Å; F663-P738 HydrophobicContact CE1-CG 3.93Å; F663-P738 HydrophobicContact CE2-CB 4.18Å; F663-P738 HydrophobicContact CE2-CG 4.12Å; F663-P738 HydrophobicContact CZ-CB 4.04Å; F663-P738 HydrophobicContact CZ-CG 3.53Å; Y736-P738 VanDerWaalsContact C-N 3.33Å; Y736-P738 HydrophobicContact CD1-CB 4.34Å; Y736-P738 HydrophobicContact CD1-CG 4.18Å; Y736-P738 HydrophobicContact CE1-CB 3.89Å; Y736-P738 HydrophobicContact CE1-CG 3.76Å; Y736-P738 HydrophobicContact CE2-CG 4.4Å; Y736-P738 WeakPolarHBondContact O-CD 3.31Å; Y736-P738 VanDerWaalsContact O-N 3.15Å; P738-A742 WeakPolarHBondContact O-CB 3.29Å; P738-A742 PolarHBondContact O-N 3.48Å
739	V	97.9	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68	-45.8	176.1	160.1	0	0	0	0	110.7	F484 P550 I669 F670 M703 Y736 I737 S741 A742 I743	F484-V739 HydrophobicContact CE1-CG2 4.02Å; P550-V739 HydrophobicContact CG-CG2 4.28Å; P550-V739 WeakPolarHBondContact O-CG2 3.5Å; I669-V739 HydrophobicContact CD1-CG2 4.5Å; F670-V739 HydrophobicContact CE2-CG1 4.26Å; F670-V739 HydrophobicContact CZ-CG1 3.6Å; M703-V739 HydrophobicContact CB-CB 4.39Å; M703-V739 HydrophobicContact CB-CG1 3.82Å; M703-V739 HydrophobicContact CG-CG1 3.79Å; Y736-V739 HydrophobicContact CD1-CB 4.02Å; Y736-V739 HydrophobicContact CD1-CG2 3.61Å; Y736-V739 HydrophobicContact CE1-CG2 4.05Å; Y736-V739 WeakPolarHBondContact O-CB 3.43Å; Y736-V739 PolarHBondContact O-N 2.92Å; I737-V739 VanDerWaalsContact C-N 3.27Å; I737-V739 PolarHBondContact O-N 2.69Å; V739-S741 VanDerWaalsContact C-N 3.29Å; V739-S741 PolarHBondContact O-N 2.89Å; V739-A742 PolarHBondContact O-N 3.35Å; V739-I743 HydrophobicContact CG1-CD1 3.68Å; V739-I743 HydrophobicContact CG1-CG1 4.28Å; V739-I743 VanDerWaalsContact O-CG1 3.3Å; V739-I743 WeakPolarHBondContact O-CG1 3.11Å; V739-I743 PolarHBondContact O-N 3.03Å
740	G	97.3	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.2	-41.4	177.3	0	0	0	0	0	112.9	Y736 I737 T744	Y736-G740 PolarHBondContact O-N 3.39Å; I737-G740 PolarHBondContact O-N 3.14Å; G740-T744 PolarHBondContact O-N 2.72Å; G740-T744 PolarHBondContact O-OG1 3.1Å
741	S	98	Very high	95.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.8	-42.7	174.5	-168.9	0	0	0	0	112.8	S508 T639 I737 V739 T744 S745	S508-S741 PolarHBondContact O-OG 3.35Å; S508-S741 PolarHBondContact OG-OG 2.95Å; T639-S741 VanDerWaalsContact CG2-OG 3.26Å; T639-S741 WeakPolarHBondContact CG2-OG 3.45Å; I737-S741 WeakPolarHBondContact O-CB 3.19Å; I737-S741 PolarHBondContact O-N 2.74Å; V739-S741 VanDerWaalsContact C-N 3.29Å; V739-S741 PolarHBondContact O-N 2.89Å; S741-T744 PolarHBondContact O-OG1 3Å; S741-T744 VanDerWaalsContact O-OG1 3.14Å; S741-S745 VanDerWaalsContact O-CB 3.3Å; S741-S745 WeakPolarHBondContact O-CB 3.45Å; S741-S745 PolarHBondContact O-N 2.76Å
742	A	98.4	Very high	96.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-47.7	175.5	0	0	0	0	0	112.7	Y549 P550 Y572 P738 V739 T744 S745 Y746	Y549-A742 HydrophobicContact CD1-CB 3.99Å; Y549-A742 HydrophobicContact CE1-CB 4.19Å; P550-A742 HydrophobicContact CG-CB 4.48Å; Y572-A742 HydrophobicContact CE1-CB 3.93Å; Y572-A742 HydrophobicContact CE2-CB 4.1Å; Y572-A742 WeakPolarHBondContact OH-CA 3.24Å; P738-A742 WeakPolarHBondContact O-CB 3.29Å; P738-A742 PolarHBondContact O-N 3.48Å; V739-A742 PolarHBondContact O-N 3.35Å; A742-T744 PolarHBondContact O-N 3.31Å; A742-S745 PolarHBondContact O-N 2.87Å; A742-Y746 HydrophobicContact CB-CD2 4.42Å; A742-Y746 HydrophobicContact CB-CE2 4.2Å; A742-Y746 WeakPolarHBondContact O-CD2 3.16Å; A742-Y746 PolarHBondContact O-N 2.91Å
743	I	98.1	Very high	97	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.3	-49.7	179.3	-67.3	167.8	0	0	0	110.8	Y537 M541 Y549 F670 Y700 V739 Y746 A747	Y537-I743 HydrophobicContact CD1-CG2 3.81Å; Y537-I743 HydrophobicContact CG-CG2 4.47Å; M541-I743 HydrophobicContact CE-CD1 4.39Å; M541-I743 HydrophobicContact CG-CD1 3.77Å; M541-I743 HydrophobicContact CG-CG1 3.98Å; M541-I743 HydrophobicContact CG-CG2 4.34Å; M541-I743 HydrophobicContact SD-CD1 3.91Å; Y549-I743 HydrophobicContact CD1-CG1 4.24Å; Y549-I743 HydrophobicContact CE1-CB 4.38Å; Y549-I743 HydrophobicContact CE1-CD1 4.42Å; Y549-I743 HydrophobicContact CE1-CG1 3.38Å; F670-I743 HydrophobicContact CE2-CD1 4.43Å; F670-I743 HydrophobicContact CZ-CD1 4.46Å; Y700-I743 HydrophobicContact CD2-CG2 4.49Å; V739-I743 HydrophobicContact CG1-CD1 3.68Å; V739-I743 HydrophobicContact CG1-CG1 4.28Å; V739-I743 VanDerWaalsContact O-CG1 3.3Å; V739-I743 WeakPolarHBondContact O-CG1 3.11Å; V739-I743 PolarHBondContact O-N 3.03Å; I743-Y746 PolarHBondContact O-N 3.41Å; I743-A747 WeakPolarHBondContact O-CB 3.36Å; I743-A747 PolarHBondContact O-N 2.79Å
744	T	97.7	Very high	97.5	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	6%	0.058	C	C	.	.	H	α-helix	trans	-70.2	-33.3	-178.5	54.8	0	0	0	0	112.9	Y509 R510 Y537 Y700 G740 S741 A742 A747 R748	Y509-T744 HydrophobicContact CE2-CG2 3.74Å; R510-T744 WeakPolarHBondContact O-CB 3.5Å; R510-T744 PolarHBondContact O-OG1 3.43Å; Y537-T744 HydrophobicContact CE1-CG2 4.06Å; Y700-T744 HydrophobicContact CE2-CG2 4.49Å; G740-T744 PolarHBondContact O-N 2.72Å; G740-T744 PolarHBondContact O-OG1 3.1Å; S741-T744 PolarHBondContact O-OG1 3Å; S741-T744 VanDerWaalsContact O-OG1 3.14Å; A742-T744 PolarHBondContact O-N 3.31Å; T744-A747 PolarHBondContact O-N 2.93Å; T744-R748 WeakPolarHBondContact O-CG 3.25Å; T744-R748 PolarHBondContact O-N 2.82Å; T744-R748 PolarHBondContact O-NH1 3.35Å
745	S	98.4	Very high	97.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.8	-45.1	173.3	-179.5	0	0	0	0	112.5	T639 T641 D642 S741 A742 A747 R748 N749	T639-S745 WeakPolarHBondContact OG1-CB 3.45Å; T639-S745 PolarHBondContact OG1-OG 3.05Å; T641-S745 VanDerWaalsContact CB-OG 3.31Å; T641-S745 WeakPolarHBondContact CB-OG 3.29Å; D642-S745 PolarHBondContact N-OG 3.23Å; D642-S745 PolarHBondContact OD1-OG 3.02Å; D642-S745 VanDerWaalsContact OD2-CB 3.31Å; D642-S745 WeakPolarHBondContact OD2-CB 3.32Å; D642-S745 PolarHBondContact OD2-OG 3.47Å; S741-S745 VanDerWaalsContact O-CB 3.3Å; S741-S745 WeakPolarHBondContact O-CB 3.45Å; S741-S745 PolarHBondContact O-N 2.76Å; A742-S745 PolarHBondContact O-N 2.87Å; S745-A747 VanDerWaalsContact C-N 3.32Å; S745-A747 PolarHBondContact O-N 3.02Å; S745-R748 PolarHBondContact O-N 3.13Å; S745-N749 WeakPolarHBondContact O-CB 3.23Å; S745-N749 PolarHBondContact O-N 2.83Å
746	Y	98.4	Very high	98	Very high	20 Å²	20	11.9 Å²	11.9	8%	0.078	5%	0.051	C	C	.	.	H	α-helix	trans	-60.5	-43.6	174.7	-71.6	-52	0	0	0	111.8	N547 K548 Y549 Y572 T641 A742 I743 N749 F750	N547-Y746 HydrophobicContact CB-CD1 4.5Å; N547-Y746 HydrophobicContact CB-CD2 3.81Å; N547-Y746 HydrophobicContact CB-CE1 4.38Å; N547-Y746 HydrophobicContact CB-CE2 3.67Å; N547-Y746 HydrophobicContact CB-CG 4.22Å; N547-Y746 WeakPolarHBondContact OD1-CD1 3.44Å; N547-Y746 VanDerWaalsContact OD1-CE1 3.31Å; N547-Y746 WeakPolarHBondContact OD1-CE1 3.11Å; K548-Y746 PolarHBondContact N-OH 2.85Å; K548-Y746 WeakPolarHBondContact O-CE2 3.49Å; K548-Y746 PolarHBondContact O-OH 3.13Å; Y549-Y746 HydrophobicContact CE1-CD2 4.13Å; Y549-Y746 HydrophobicContact CE1-CE2 4.21Å; Y572-Y746 HydrophobicContact CE2-CE1 4.44Å; Y572-Y746 AromaticContact CE2-CE2 3.93Å; Y572-Y746 HydrophobicContact CE2-CE2 3.93Å; Y572-Y746 AromaticContact CE2-CZ 3.63Å; Y572-Y746 VanDerWaalsContact CE2-OH 3.28Å; Y572-Y746 WeakPolarHBondContact CE2-OH 3.4Å; T641-Y746 HydrophobicContact CG2-CD1 3.88Å; T641-Y746 HydrophobicContact CG2-CE1 4.16Å; T641-Y746 VanDerWaalsContact OG1-CE1 3.23Å; T641-Y746 WeakPolarHBondContact OG1-CE1 3.31Å; A742-Y746 HydrophobicContact CB-CD2 4.42Å; A742-Y746 HydrophobicContact CB-CE2 4.2Å; A742-Y746 WeakPolarHBondContact O-CD2 3.16Å; A742-Y746 PolarHBondContact O-N 2.91Å; I743-Y746 PolarHBondContact O-N 3.41Å; Y746-N749 PolarHBondContact O-N 3.35Å; Y746-F750 WeakPolarHBondContact O-CB 3.16Å; Y746-F750 PolarHBondContact O-N 3.42Å
747	A	98.1	Very high	98	Very high	2 Å²	2	13.4 Å²	13.4	2%	0.017	6%	0.064	C	C	.	.	H	α-helix	trans	-59.3	-49	176.1	0	0	0	0	0	112	L536 Y537 M540 I743 T744 S745 N749 F750 T751	L536-A747 HydrophobicContact CD1-CB 4.3Å; L536-A747 HydrophobicContact CD2-CB 3.79Å; L536-A747 HydrophobicContact CG-CB 3.86Å; Y537-A747 HydrophobicContact CD1-CB 3.75Å; Y537-A747 HydrophobicContact CE1-CB 3.57Å; M540-A747 HydrophobicContact CG-CB 4.1Å; I743-A747 WeakPolarHBondContact O-CB 3.36Å; I743-A747 PolarHBondContact O-N 2.79Å; T744-A747 PolarHBondContact O-N 2.93Å; S745-A747 VanDerWaalsContact C-N 3.32Å; S745-A747 PolarHBondContact O-N 3.02Å; A747-N749 PolarHBondContact O-N 3.04Å; A747-F750 WeakPolarHBondContact O-CB 3.29Å; A747-F750 PolarHBondContact O-N 3.48Å; A747-T751 PolarHBondContact O-N 2.89Å; A747-T751 VanDerWaalsContact O-N 3.13Å; A747-T751 PolarHBondContact O-OG1 3.33Å
748	R	98.2	Very high	98.1	Very high	13 Å²	13	13.3 Å²	13.3	5%	0.049	6%	0.064	C	C	.	.	H	α-helix	trans	-58.8	-48.5	174.6	-75.4	-168.8	-61	-79.6	1.7	111.9	R510 G511 W513 D642 T744 S745 F750 T751 I752	R510-R748 VanDerWaalsContact C-NH1 3.32Å; R510-R748 PolarHBondContact O-NH1 3.33Å; G511-R748 WeakPolarHBondContact O-CD 3.43Å; G511-R748 PolarHBondContact O-NH1 3.45Å; W513-R748 HydrophobicContact CB-CG 4.03Å; D642-R748 VanDerWaalsContact CG-NH2 3.27Å; D642-R748 IonicContact OD1-CZ 2.62Å; D642-R748 IonicContact OD1-NE 3.65Å; D642-R748 PolarHBondContact OD1-NE 3.14Å; D642-R748 IonicContact OD1-NH2 3.31Å; D642-R748 PolarHBondContact OD1-NH2 3.03Å; D642-R748 VanDerWaalsContact OD1-NH2 3.1Å; D642-R748 IonicContact OD2-CZ 3.59Å; D642-R748 IonicContact OD2-NH2 3.95Å; D642-R748 PolarHBondContact OD2-NH2 3.1Å; T744-R748 WeakPolarHBondContact O-CG 3.25Å; T744-R748 PolarHBondContact O-N 2.82Å; T744-R748 PolarHBondContact O-NH1 3.35Å; S745-R748 PolarHBondContact O-N 3.13Å; R748-F750 VanDerWaalsContact C-N 3.26Å; R748-F750 PolarHBondContact O-N 3.46Å; R748-T751 PolarHBondContact O-N 3.4Å; R748-I752 HydrophobicContact CB-CD1 4.11Å; R748-I752 VanDerWaalsContact O-CB 3.29Å; R748-I752 WeakPolarHBondContact O-CB 3.29Å; R748-I752 WeakPolarHBondContact O-CD1 3.46Å; R748-I752 WeakPolarHBondContact O-CG1 3.48Å; R748-I752 PolarHBondContact O-N 3.36Å
749	N	98.2	Very high	98.1	Very high	31 Å²	31	14.9 Å²	14.9	17%	0.166	7%	0.07	C	C	.	.	H	α-helix	trans	-60.7	-37.3	-179.4	177	74.8	0	0	0	111.7	T641 S745 Y746 A747 R753	T641-N749 HydrophobicContact CG2-CB 3.7Å; S745-N749 WeakPolarHBondContact O-CB 3.23Å; S745-N749 PolarHBondContact O-N 2.83Å; Y746-N749 PolarHBondContact O-N 3.35Å; A747-N749 PolarHBondContact O-N 3.04Å; N749-R753 VanDerWaalsContact O-CB 3.3Å; N749-R753 WeakPolarHBondContact O-CB 3.47Å; N749-R753 WeakPolarHBondContact O-CG 3.34Å; N749-R753 PolarHBondContact O-N 2.87Å; N749-R753 VanDerWaalsContact O-N 3.13Å; N749-R753 PolarHBondContact OD1-NE 3Å; N749-R753 PolarHBondContact OD1-NH2 3.43Å
750	F	97.8	Very high	98	Very high	53 Å²	53	18.8 Å²	18.8	23%	0.232	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-53.4	175.8	-167.3	-91.7	0	0	0	111.6	V533 L536 M540 Y746 A747 R748 R753 A754 W797	V533-F750 HydrophobicContact CB-CE1 4.44Å; V533-F750 HydrophobicContact CG1-CD1 4.36Å; V533-F750 HydrophobicContact CG1-CE1 3.86Å; V533-F750 HydrophobicContact CG2-CD1 3.88Å; V533-F750 HydrophobicContact CG2-CE1 3.62Å; L536-F750 HydrophobicContact CD1-CB 4.33Å; L536-F750 HydrophobicContact CD1-CD1 3.92Å; L536-F750 HydrophobicContact CD1-CG 4.36Å; M540-F750 HydrophobicContact CE-CB 4.25Å; M540-F750 HydrophobicContact CE-CD1 4.49Å; M540-F750 HydrophobicContact CE-CD2 3.7Å; M540-F750 HydrophobicContact CE-CE2 4.13Å; M540-F750 HydrophobicContact CE-CG 3.9Å; M540-F750 HydrophobicContact SD-CB 4.06Å; M540-F750 HydrophobicContact SD-CD2 4.33Å; M540-F750 HydrophobicContact SD-CG 4.35Å; Y746-F750 WeakPolarHBondContact O-CB 3.16Å; Y746-F750 PolarHBondContact O-N 3.42Å; A747-F750 WeakPolarHBondContact O-CB 3.29Å; A747-F750 PolarHBondContact O-N 3.48Å; R748-F750 VanDerWaalsContact C-N 3.26Å; R748-F750 PolarHBondContact O-N 3.46Å; F750-R753 PolarHBondContact O-N 2.82Å; F750-A754 PolarHBondContact O-N 3.42Å; F750-W797 AromaticContact CD1-CZ2 3.92Å; F750-W797 HydrophobicContact CD1-CZ2 3.92Å; F750-W797 AromaticContact CE1-CE2 3.68Å; F750-W797 AromaticContact CE1-CZ2 3.76Å; F750-W797 HydrophobicContact CE1-CZ2 3.76Å; F750-W797 AromaticContact CE1-NE1 3.31Å; F750-W797 VanDerWaalsContact CE1-NE1 3.31Å; F750-W797 AromaticContact CZ-NE1 3.73Å
751	T	98.3	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.2	-45.8	-179.5	-52.9	0	0	0	0	112.4	W513 A747 R748 R753 A754 A755 A770 T772 I775 W797	W513-T751 HydrophobicContact CE3-CG2 4.19Å; A747-T751 PolarHBondContact O-N 2.89Å; A747-T751 VanDerWaalsContact O-N 3.13Å; A747-T751 PolarHBondContact O-OG1 3.33Å; R748-T751 PolarHBondContact O-N 3.4Å; T751-R753 VanDerWaalsContact C-N 3.3Å; T751-R753 PolarHBondContact O-N 2.83Å; T751-A754 PolarHBondContact O-N 3.23Å; T751-A755 WeakPolarHBondContact O-CB 3.47Å; T751-A755 PolarHBondContact O-N 3.08Å; T751-A770 HydrophobicContact CG2-CB 4.37Å; T751-T772 WeakPolarHBondContact CB-O 3.4Å; T751-T772 WeakPolarHBondContact CG2-O 3.34Å; T751-T772 PolarHBondContact OG1-O 2.81Å; T751-I775 HydrophobicContact CG2-CG2 4.08Å; T751-W797 HydrophobicContact CG2-CH2 4.28Å
752	I	98.4	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.9	-39.1	-179.4	-68.5	163.3	0	0	0	110.8	W513 F590 L645 R748 A755 Q756	W513-I752 HydrophobicContact CB-CD1 4.22Å; W513-I752 HydrophobicContact CB-CG1 4.24Å; W513-I752 HydrophobicContact CD2-CD1 4.03Å; W513-I752 HydrophobicContact CD2-CG1 3.39Å; W513-I752 HydrophobicContact CE3-CB 4.47Å; W513-I752 HydrophobicContact CE3-CG1 3.49Å; W513-I752 VanDerWaalsContact CE3-CG1 3.49Å; W513-I752 HydrophobicContact CG-CD1 3.87Å; W513-I752 HydrophobicContact CG-CG1 3.76Å; W513-I752 HydrophobicContact CH2-CG1 4.36Å; W513-I752 HydrophobicContact CZ2-CG1 4.27Å; W513-I752 HydrophobicContact CZ3-CG1 3.98Å; F590-I752 HydrophobicContact CB-CD1 3.59Å; F590-I752 HydrophobicContact CD2-CD1 4.35Å; F590-I752 HydrophobicContact CG-CD1 3.94Å; L645-I752 HydrophobicContact CD1-CG2 4.34Å; L645-I752 HydrophobicContact CD2-CB 4.24Å; L645-I752 HydrophobicContact CD2-CD1 3.69Å; L645-I752 HydrophobicContact CD2-CG2 4.04Å; R748-I752 HydrophobicContact CB-CD1 4.11Å; R748-I752 VanDerWaalsContact O-CB 3.29Å; R748-I752 WeakPolarHBondContact O-CB 3.29Å; R748-I752 WeakPolarHBondContact O-CD1 3.46Å; R748-I752 WeakPolarHBondContact O-CG1 3.48Å; R748-I752 PolarHBondContact O-N 3.36Å; I752-A755 PolarHBondContact O-N 2.93Å; I752-Q756 WeakPolarHBondContact O-CB 3.11Å; I752-Q756 PolarHBondContact O-N 2.82Å
753	R	97.8	Very high	97.1	Very high	96 Å²	96	28.4 Å²	28.4	36%	0.362	14%	0.142	S	C	.	.	H	α-helix	trans	-67	-39.2	178.7	-75.7	-178.5	-177.2	-68.8	-7.7	112.4	E648 N749 F750 T751 Q756 A757	E648-R753 IonicContact OE1-NH1 3.82Å; E648-R753 IonicContact OE2-CZ 2.73Å; E648-R753 VanDerWaalsContact OE2-CZ 3.28Å; E648-R753 IonicContact OE2-NH1 2.68Å; E648-R753 PolarHBondContact OE2-NH1 2.82Å; E648-R753 IonicContact OE2-NH2 3.12Å; E648-R753 PolarHBondContact OE2-NH2 2.83Å; N749-R753 VanDerWaalsContact O-CB 3.3Å; N749-R753 WeakPolarHBondContact O-CB 3.47Å; N749-R753 WeakPolarHBondContact O-CG 3.34Å; N749-R753 PolarHBondContact O-N 2.87Å; N749-R753 VanDerWaalsContact O-N 3.13Å; N749-R753 PolarHBondContact OD1-NE 3Å; N749-R753 PolarHBondContact OD1-NH2 3.43Å; F750-R753 PolarHBondContact O-N 2.82Å; T751-R753 VanDerWaalsContact C-N 3.3Å; T751-R753 PolarHBondContact O-N 2.83Å; R753-Q756 PolarHBondContact O-N 2.73Å; R753-A757 WeakPolarHBondContact O-CB 3.5Å; R753-A757 PolarHBondContact O-N 3.14Å
754	A	97.7	Very high	96.9	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-46.1	173.8	0	0	0	0	0	111.7	F750 T751 Q756 A757 N758 I775 I787 W797	F750-A754 PolarHBondContact O-N 3.42Å; T751-A754 PolarHBondContact O-N 3.23Å; A754-Q756 PolarHBondContact O-N 3.17Å; A754-A757 PolarHBondContact O-N 3.39Å; A754-N758 PolarHBondContact O-N 3.38Å; A754-N758 PolarHBondContact O-ND2 2.97Å; A754-I775 HydrophobicContact CB-CD1 4.12Å; A754-I787 HydrophobicContact CB-CG2 3.81Å; A754-W797 HydrophobicContact CB-CH2 3.74Å; A754-W797 HydrophobicContact CB-CZ2 3.22Å
755	A	98.4	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-46.7	173.9	0	0	0	0	0	111.9	W513 L588 T751 I752 A757 N758 Y759 F767 I775	W513-A755 HydrophobicContact CH2-CB 3.82Å; W513-A755 HydrophobicContact CZ3-CB 3.65Å; L588-A755 HydrophobicContact CD1-CB 3.73Å; T751-A755 WeakPolarHBondContact O-CB 3.47Å; T751-A755 PolarHBondContact O-N 3.08Å; I752-A755 PolarHBondContact O-N 2.93Å; A755-A757 VanDerWaalsContact C-N 3.31Å; A755-A757 PolarHBondContact O-N 2.99Å; A755-N758 CarbonylContact O-C 3.55Å; A755-N758 PolarHBondContact O-N 3.28Å; A755-Y759 PolarHBondContact O-N 3.4Å; A755-F767 HydrophobicContact CB-CD1 4.46Å; A755-F767 HydrophobicContact CB-CD2 3.46Å; A755-F767 VanDerWaalsContact CB-CD2 3.46Å; A755-F767 HydrophobicContact CB-CE1 4.41Å; A755-F767 HydrophobicContact CB-CE2 3.38Å; A755-F767 HydrophobicContact CB-CG 4.02Å; A755-F767 HydrophobicContact CB-CZ 3.89Å; A755-I775 HydrophobicContact CB-CG2 4.04Å
756	Q	98.2	Very high	96.8	Very high	27 Å²	27	38.1 Å²	38.1	13%	0.126	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-34.9	-179	-177.9	61.7	77.1	0	0	112.5	G586 K587 L588 H649 I752 R753 A754 N758 Y759	G586-Q756 PolarHBondContact O-NE2 2.87Å; K587-Q756 VanDerWaalsContact CA-OE1 3.29Å; K587-Q756 HydrophobicContact CD-CG 4.44Å; L588-Q756 HydrophobicContact CD1-CB 4.17Å; H649-Q756 PolarHBondContact CE1-OE1 3.04Å; I752-Q756 WeakPolarHBondContact O-CB 3.11Å; I752-Q756 PolarHBondContact O-N 2.82Å; R753-Q756 PolarHBondContact O-N 2.73Å; A754-Q756 PolarHBondContact O-N 3.17Å; Q756-N758 PolarHBondContact O-N 3.41Å; Q756-Y759 PolarHBondContact O-N 2.99Å
757	A	98.1	Very high	96.8	Very high	35 Å²	35	37.1 Å²	37.1	29%	0.289	19%	0.189	S	C	.	.	H	α-helix	trans	-66.1	-21.6	175.9	0	0	0	0	0	113.1	R753 A754 A755 K785	R753-A757 WeakPolarHBondContact O-CB 3.5Å; R753-A757 PolarHBondContact O-N 3.14Å; A754-A757 PolarHBondContact O-N 3.39Å; A755-A757 VanDerWaalsContact C-N 3.31Å; A755-A757 PolarHBondContact O-N 2.99Å; A757-K785 HydrophobicContact CB-CB 4.4Å
758	N	98.2	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	2.3	180	-64	-71.4	0	0	0	113.1	A754 A755 Q756 G766 F767 L779 L784 K785	A754-N758 PolarHBondContact O-N 3.38Å; A754-N758 PolarHBondContact O-ND2 2.97Å; A755-N758 CarbonylContact O-C 3.55Å; A755-N758 PolarHBondContact O-N 3.28Å; Q756-N758 PolarHBondContact O-N 3.41Å; N758-G766 CarbonylContact O-C 3.5Å; N758-G766 WeakPolarHBondContact O-CA 3.49Å; N758-F767 HydrophobicContact CB-CB 4.46Å; N758-F767 PolarHBondContact O-N 3Å; N758-L779 HydrophobicContact CB-CD1 4.37Å; N758-L784 WeakPolarHBondContact OD1-CA 3.19Å; N758-K785 PolarHBondContact ND2-O 3.46Å; N758-K785 PolarHBondContact OD1-N 2.84Å
759	Y	97.9	Very high	96.8	Very high	32 Å²	32	36.5 Å²	36.5	13%	0.125	19%	0.186	C	C	.	.			trans	-92.4	113.7	177.7	-177.7	-110.5	0	0	0	111.1	A517 G586 L588 A755 Q756 F767	A517-Y759 HydrophobicContact CB-CE2 4.31Å; G586-Y759 WeakPolarHBondContact O-CD1 3.38Å; L588-Y759 HydrophobicContact CD1-CG 4.38Å; L588-Y759 HydrophobicContact CD2-CD1 3.82Å; L588-Y759 HydrophobicContact CD2-CD2 3.71Å; L588-Y759 HydrophobicContact CD2-CE1 4.1Å; L588-Y759 HydrophobicContact CD2-CE2 4Å; L588-Y759 HydrophobicContact CD2-CG 3.61Å; L588-Y759 HydrophobicContact CG-CD1 4.01Å; L588-Y759 HydrophobicContact CG-CG 3.97Å; A755-Y759 PolarHBondContact O-N 3.4Å; Q756-Y759 PolarHBondContact O-N 2.99Å; Y759-F767 HydrophobicContact CD2-CB 4.33Å; Y759-F767 HydrophobicContact CD2-CD1 4.27Å
760	Y	96.1	Very high	96.8	Very high	83 Å²	83	35 Å²	35	33%	0.325	18%	0.178	S	C	.	.			trans	-111.2	9.2	-177.9	-50.1	-48.4	0	0	0	113.8	K764 P765 L779 K785	Y760-K764 WeakPolarHBondContact O-CD 3.4Å; Y760-P765 WeakPolarHBondContact CD2-O 3.18Å; Y760-L779 HydrophobicContact CE2-CD1 4.15Å; Y760-K785 PolarHBondContact OH-NZ 2.81Å
761	G	93.2	Very high	96.8	Very high	12 Å²	12	34.1 Å²	34.1	12%	0.124	18%	0.176	C	C	.	.			trans	118.2	168.6	-176.4	0	0	0	0	0	112.7	D763	G761-D763 PolarHBondContact O-N 3.29Å
762	P	90.9	Very high	96.7	Very high	54 Å²	54	35.5 Å²	35.5	35%	0.351	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-33	-174.1	26.2	-34.7	0	0	0	113.6	R518	R518-P762 WeakPolarHBondContact O-CB 3.38Å
763	D	91	Very high	96.6	Very high	135 Å²	135	38 Å²	38	72%	0.722	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	13.6	-175.4	-54.1	-58.2	0	0	0	113.5	K523 G761	K523-D763 IonicContact NZ-OD1 2.97Å; G761-D763 PolarHBondContact O-N 3.29Å
764	K	94.8	Very high	96.5	Very high	128 Å²	128	33.8 Å²	33.8	56%	0.557	18%	0.183	S	C	*	.	S	Bend	trans	-115.5	147.7	179.2	-63	-165.5	-167.1	164.7	0	111.7	K520 Y760	K520-K764 WeakPolarHBondContact CE-O 3.15Å; K520-K764 PolarHBondContact NZ-O 3.18Å; K520-K764 VanDerWaalsContact NZ-O 3.14Å; Y760-K764 WeakPolarHBondContact O-CD 3.4Å
765	P	96.1	Very high	96.6	Very high	77 Å²	77	33.8 Å²	33.8	50%	0.5	18%	0.182	S	C	.	.	S	Bend	trans	-56.3	142.3	169.8	-22.5	32.9	0	0	0	111.1	Y760 D778 L779	Y760-P765 WeakPolarHBondContact CD2-O 3.18Å; P765-D778 WeakPolarHBondContact CA-OD1 3.16Å; P765-D778 VanDerWaalsContact CA-OD2 3.29Å; P765-D778 WeakPolarHBondContact CA-OD2 3.19Å; P765-L779 HydrophobicContact CB-CD2 4.21Å
766	G	97.8	Very high	96.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	150.1	-149.1	-172.5	0	0	0	0	0	113.1	K520 N758 I768 C777 D778	K520-G766 PolarHBondContact NZ-O 3.07Å; N758-G766 CarbonylContact O-C 3.5Å; N758-G766 WeakPolarHBondContact O-CA 3.49Å; G766-I768 PolarHBondContact O-N 2.79Å; G766-C777 CarbonylContact O-C 3.47Å; G766-C777 WeakPolarHBondContact O-CA 3.44Å; G766-C777 WeakPolarHBondContact O-CB 3.28Å; G766-D778 PolarHBondContact N-OD1 3.16Å; G766-D778 PolarHBondContact O-N 3.36Å; G766-D778 VanDerWaalsContact O-N 3.08Å
767	F	98.3	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	133.8	177.7	177.1	-100.6	0	0	0	112.5	W513 Y515 A517 K520 L588 A755 N758 Y759 Y769 A770 I775	W513-F767 AromaticContact CH2-CE1 3.98Å; W513-F767 HydrophobicContact CH2-CE1 3.98Å; W513-F767 HydrophobicContact CH2-CE2 4.39Å; W513-F767 AromaticContact CH2-CZ 3.61Å; W513-F767 HydrophobicContact CH2-CZ 3.61Å; W513-F767 HydrophobicContact CZ3-CE2 4.37Å; W513-F767 AromaticContact CZ3-CZ 3.93Å; W513-F767 HydrophobicContact CZ3-CZ 3.93Å; Y515-F767 AromaticContact CD1-CE1 3.96Å; Y515-F767 HydrophobicContact CD1-CE1 3.96Å; Y515-F767 HydrophobicContact CE1-CE1 4.42Å; A517-F767 HydrophobicContact CB-CD1 4.18Å; A517-F767 HydrophobicContact CB-CE1 4.26Å; K520-F767 WeakPolarHBondContact CD-O 3.49Å; K520-F767 VanDerWaalsContact CE-O 3.31Å; K520-F767 WeakPolarHBondContact CE-O 3.48Å; K520-F767 PolarHBondContact NZ-O 3.46Å; L588-F767 HydrophobicContact CD1-CD1 4.02Å; L588-F767 HydrophobicContact CD1-CE1 4.19Å; L588-F767 HydrophobicContact CD1-CG 4.5Å; L588-F767 HydrophobicContact CD2-CD1 3.86Å; L588-F767 HydrophobicContact CD2-CE1 4.02Å; A755-F767 HydrophobicContact CB-CD1 4.46Å; A755-F767 HydrophobicContact CB-CD2 3.46Å; A755-F767 VanDerWaalsContact CB-CD2 3.46Å; A755-F767 HydrophobicContact CB-CE1 4.41Å; A755-F767 HydrophobicContact CB-CE2 3.38Å; A755-F767 HydrophobicContact CB-CG 4.02Å; A755-F767 HydrophobicContact CB-CZ 3.89Å; N758-F767 HydrophobicContact CB-CB 4.46Å; N758-F767 PolarHBondContact O-N 3Å; Y759-F767 HydrophobicContact CD2-CB 4.33Å; Y759-F767 HydrophobicContact CD2-CD1 4.27Å; F767-Y769 VanDerWaalsContact CE2-C 3.44Å; F767-Y769 WeakPolarHBondContact CE2-O 3.24Å; F767-Y769 VanDerWaalsContact CZ-C 3.45Å; F767-A770 HydrophobicContact CE2-CB 3.81Å; F767-A770 HydrophobicContact CZ-CB 3.75Å; F767-I775 HydrophobicContact CD2-CB 4.35Å; F767-I775 HydrophobicContact CE2-CB 4.26Å; F767-I775 HydrophobicContact CE2-CG2 4.16Å
768	I	98.4	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-57.2	176.4	-55.4	173.2	0	0	0	110.3	L516 A517 K520 F525 G766 H776 D778 W803 F808	L516-I768 HydrophobicContact CD1-CG2 3.91Å; A517-I768 WeakPolarHBondContact CB-O 3.36Å; A517-I768 PolarHBondContact N-O 3.08Å; K520-I768 HydrophobicContact CB-CG2 4.27Å; K520-I768 HydrophobicContact CD-CB 4.19Å; K520-I768 HydrophobicContact CD-CG1 3.86Å; K520-I768 HydrophobicContact CD-CG2 4.25Å; F525-I768 HydrophobicContact CB-CD1 3.96Å; F525-I768 HydrophobicContact CD1-CD1 3.89Å; F525-I768 HydrophobicContact CD2-CD1 3.9Å; F525-I768 HydrophobicContact CE1-CD1 4.39Å; F525-I768 HydrophobicContact CE2-CD1 4.39Å; F525-I768 HydrophobicContact CE2-CG2 4.26Å; F525-I768 HydrophobicContact CG-CD1 3.62Å; G766-I768 PolarHBondContact O-N 2.79Å; I768-H776 WeakPolarHBondContact CB-O 3.49Å; I768-H776 PolarHBondContact N-O 3.49Å; I768-D778 HydrophobicContact CD1-CB 3.88Å; I768-W803 HydrophobicContact CD1-CH2 3.78Å; I768-W803 HydrophobicContact CD1-CZ2 4.16Å; I768-F808 HydrophobicContact CD1-CE2 3.95Å; I768-F808 HydrophobicContact CD1-CZ 4.44Å; I768-F808 HydrophobicContact CG2-CB 4.32Å; I768-F808 HydrophobicContact CG2-CD1 4.05Å; I768-F808 HydrophobicContact CG2-CD2 3.66Å; I768-F808 HydrophobicContact CG2-CE1 4.28Å; I768-F808 HydrophobicContact CG2-CE2 3.91Å; I768-F808 HydrophobicContact CG2-CG 3.74Å; I768-F808 HydrophobicContact CG2-CZ 4.22Å
769	Y	98.3	Very high	96.6	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.5	-167.8	176.7	-105.5	0	0	0	111.7	C514 Y515 L516 F767 D771 I775 H776 F808 K812 Y814	C514-Y769 PolarHBondContact SG-OH 2.79Å; Y515-Y769 CarbonylContact O-C 3.56Å; Y515-Y769 VanDerWaalsContact O-CA 3.32Å; Y515-Y769 WeakPolarHBondContact O-CA 3.24Å; Y515-Y769 VanDerWaalsContact O-CD2 3.23Å; Y515-Y769 WeakPolarHBondContact O-CD2 3.3Å; L516-Y769 HydrophobicContact CB-CD2 3.97Å; L516-Y769 HydrophobicContact CD1-CD2 4.41Å; F767-Y769 VanDerWaalsContact CE2-C 3.44Å; F767-Y769 WeakPolarHBondContact CE2-O 3.24Å; F767-Y769 VanDerWaalsContact CZ-C 3.45Å; Y769-D771 HydrophobicContact CE1-CB 3.85Å; Y769-D771 WeakPolarHBondContact OH-CB 3.41Å; Y769-I775 CarbonylContact O-C 3.58Å; Y769-I775 WeakPolarHBondContact O-CA 3.29Å; Y769-H776 AromaticContact CD1-CD2 3.5Å; Y769-H776 AromaticContact CD1-NE2 3.7Å; Y769-H776 PolarHBondContact N-O 2.91Å; Y769-H776 PolarHBondContact O-CD2 2.91Å; Y769-H776 PolarHBondContact O-N 3Å; Y769-F808 HydrophobicContact CD1-CE1 4.38Å; Y769-F808 HydrophobicContact CG-CD1 4.14Å; Y769-F808 HydrophobicContact CG-CE1 4.3Å; Y769-K812 WeakPolarHBondContact OH-CA 3.38Å; Y769-K812 PolarHBondContact OH-N 2.98Å; Y769-Y814 HydrophobicContact CD1-CD1 4.1Å; Y769-Y814 AromaticContact CD1-CE1 3.86Å; Y769-Y814 HydrophobicContact CD1-CE1 3.86Å; Y769-Y814 AromaticContact CE1-CD1 3.9Å; Y769-Y814 HydrophobicContact CE1-CD1 3.9Å; Y769-Y814 AromaticContact CE1-CE1 3.44Å; Y769-Y814 HydrophobicContact CE1-CE1 3.44Å; Y769-Y814 VanDerWaalsContact CE1-CE1 3.44Å
770	A	98	Very high	96.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.5	168.2	0	0	0	0	0	111.2	W513 C514 Y515 T751 F767 S774 I775	W513-A770 HydrophobicContact CE3-CB 3.7Å; W513-A770 HydrophobicContact CH2-CB 4.32Å; W513-A770 HydrophobicContact CZ3-CB 3.46Å; W513-A770 VanDerWaalsContact CZ3-CB 3.46Å; C514-A770 CarbonylContact C-O 3.58Å; C514-A770 VanDerWaalsContact CA-O 3.25Å; C514-A770 WeakPolarHBondContact CA-O 3.35Å; Y515-A770 PolarHBondContact N-O 3.1Å; Y515-A770 PolarHBondContact O-N 3.37Å; T751-A770 HydrophobicContact CG2-CB 4.37Å; F767-A770 HydrophobicContact CE2-CB 3.81Å; F767-A770 HydrophobicContact CZ-CB 3.75Å; A770-S774 VanDerWaalsContact CA-O 3.23Å; A770-S774 WeakPolarHBondContact CA-O 3.5Å; A770-S774 VanDerWaalsContact CB-O 3.25Å; A770-S774 WeakPolarHBondContact CB-O 3.19Å; A770-I775 HydrophobicContact CB-CG2 4.44Å
771	D	96.9	Very high	96.4	Very high	35 Å²	35	30.6 Å²	30.6	19%	0.187	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	94.6	165.8	-167.1	-0.9	0	0	0	110.5	Y769 D773 S774 K812	Y769-D771 HydrophobicContact CE1-CB 3.85Å; Y769-D771 WeakPolarHBondContact OH-CB 3.41Å; D771-D773 VanDerWaalsContact C-N 3.28Å; D771-D773 PolarHBondContact O-N 2.91Å; D771-S774 PolarHBondContact N-O 3.24Å; D771-S774 PolarHBondContact N-OG 3.05Å; D771-S774 PolarHBondContact O-N 3.18Å; D771-K812 IonicContact OD1-NZ 3.32Å; D771-K812 PolarHBondContact OD1-NZ 3.14Å; D771-K812 WeakPolarHBondContact OD2-CG 3.43Å; D771-K812 IonicContact OD2-NZ 2.88Å; D771-K812 PolarHBondContact OD2-NZ 2.82Å
772	T	95.8	Very high	96.5	Very high	28 Å²	28	36.6 Å²	36.6	17%	0.172	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	-73.8	175.5	-51.9	0	0	0	0	114.2	W513 L536 Y537 T751	W513-T772 PolarHBondContact O-N 2.94Å; L536-T772 HydrophobicContact CD2-CG2 4.25Å; L536-T772 VanDerWaalsContact CD2-O 3.3Å; L536-T772 WeakPolarHBondContact CD2-O 3.49Å; Y537-T772 HydrophobicContact CE2-CG2 4.28Å; T751-T772 WeakPolarHBondContact CB-O 3.4Å; T751-T772 WeakPolarHBondContact CG2-O 3.34Å; T751-T772 PolarHBondContact OG1-O 2.81Å
773	D	96.1	Very high	96.7	Very high	53 Å²	53	38.7 Å²	38.7	28%	0.283	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-7.5	-174.8	47.2	-11.8	0	0	0	114.3	V533 L536 D771 W797	V533-D773 HydrophobicContact CB-CB 4.22Å; V533-D773 WeakPolarHBondContact CG2-O 3.4Å; V533-D773 PolarHBondContact N-O 3.26Å; L536-D773 HydrophobicContact CB-CB 3.72Å; L536-D773 HydrophobicContact CD2-CB 3.74Å; L536-D773 HydrophobicContact CG-CB 4.33Å; D771-D773 VanDerWaalsContact C-N 3.28Å; D771-D773 PolarHBondContact O-N 2.91Å; D773-W797 WeakPolarHBondContact O-CZ3 3.19Å
774	S	97.5	Very high	97	Very high	8 Å²	8	33.2 Å²	33.2	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	150.9	175.3	77.9	0	0	0	0	113.9	A531 A770 D771 H776	A531-S774 CarbonylContact O-C 3.6Å; A531-S774 VanDerWaalsContact O-CA 3.25Å; A531-S774 WeakPolarHBondContact O-CA 3.46Å; A770-S774 VanDerWaalsContact CA-O 3.23Å; A770-S774 WeakPolarHBondContact CA-O 3.5Å; A770-S774 VanDerWaalsContact CB-O 3.25Å; A770-S774 WeakPolarHBondContact CB-O 3.19Å; D771-S774 PolarHBondContact N-O 3.24Å; D771-S774 PolarHBondContact N-OG 3.05Å; D771-S774 PolarHBondContact O-N 3.18Å; S774-H776 PolarHBondContact OG-CD2 3.08Å; S774-H776 PolarHBondContact OG-NE2 3.35Å
775	I	98.3	Very high	97.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.9	160.5	64.9	175.3	0	0	0	109.8	A531 T751 A754 A755 F767 Y769 A770 I787 W797	A531-I775 HydrophobicContact CB-CG1 4.02Å; A531-I775 PolarHBondContact N-O 3.38Å; A531-I775 PolarHBondContact O-N 3.38Å; T751-I775 HydrophobicContact CG2-CG2 4.08Å; A754-I775 HydrophobicContact CB-CD1 4.12Å; A755-I775 HydrophobicContact CB-CG2 4.04Å; F767-I775 HydrophobicContact CD2-CB 4.35Å; F767-I775 HydrophobicContact CE2-CB 4.26Å; F767-I775 HydrophobicContact CE2-CG2 4.16Å; Y769-I775 CarbonylContact O-C 3.58Å; Y769-I775 WeakPolarHBondContact O-CA 3.29Å; A770-I775 HydrophobicContact CB-CG2 4.44Å; I775-I787 HydrophobicContact CD1-CG2 4.17Å; I775-W797 HydrophobicContact CB-CZ3 4.29Å; I775-W797 HydrophobicContact CD1-CH2 4.39Å; I775-W797 HydrophobicContact CD1-CZ3 4.18Å; I775-W797 HydrophobicContact CG1-CE3 4.24Å; I775-W797 HydrophobicContact CG1-CH2 4.28Å; I775-W797 HydrophobicContact CG1-CZ3 3.73Å; I775-W797 HydrophobicContact CG2-CH2 3.84Å; I775-W797 HydrophobicContact CG2-CZ3 3.96Å
776	H	98.5	Very high	97	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122	-179.7	-59.4	-115.9	0	0	0	107.6	T530 I768 Y769 S774 F808 Y814 E816	T530-H776 VanDerWaalsContact CG2-CE1 3.46Å; T530-H776 WeakPolarHBondContact CG2-CE1 3.29Å; T530-H776 PolarHBondContact OG1-ND1 2.84Å; I768-H776 WeakPolarHBondContact CB-O 3.49Å; I768-H776 PolarHBondContact N-O 3.49Å; Y769-H776 AromaticContact CD1-CD2 3.5Å; Y769-H776 AromaticContact CD1-NE2 3.7Å; Y769-H776 PolarHBondContact N-O 2.91Å; Y769-H776 PolarHBondContact O-CD2 2.91Å; Y769-H776 PolarHBondContact O-N 3Å; S774-H776 PolarHBondContact OG-CD2 3.08Å; S774-H776 PolarHBondContact OG-NE2 3.35Å; H776-F808 HydrophobicContact CB-CE1 4.06Å; H776-F808 HydrophobicContact CB-CZ 4.1Å; H776-Y814 AromaticContact CE1-CE2 3.73Å; H776-Y814 AromaticContact CE1-CZ 3.46Å; H776-Y814 VanDerWaalsContact CE1-CZ 3.46Å; H776-Y814 PolarHBondContact CE1-OH 2.92Å; H776-E816 IonicContact CE1-OE1 3.97Å; H776-E816 IonicContact CE1-OE2 2.73Å; H776-E816 IonicContact CG-OE1 3.27Å; H776-E816 IonicContact ND1-OE1 2.82Å; H776-E816 PolarHBondContact ND1-OE1 2.86Å; H776-E816 IonicContact ND1-OE2 3.84Å
777	C	98.4	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.4	-177.2	-56	0	0	0	0	110.9	G528 T529 G766 L779 L784	G528-C777 CarbonylContact C-O 3.59Å; G528-C777 WeakPolarHBondContact CA-O 3.36Å; T529-C777 PolarHBondContact N-O 3Å; T529-C777 PolarHBondContact O-N 3.43Å; G766-C777 CarbonylContact O-C 3.47Å; G766-C777 WeakPolarHBondContact O-CA 3.44Å; G766-C777 WeakPolarHBondContact O-CB 3.28Å; C777-L779 HydrophobicContact CB-CB 4.13Å; C777-L779 HydrophobicContact CB-CD1 4.3Å; C777-L779 HydrophobicContact CB-CG 4.23Å; C777-L779 PolarHBondContact O-N 3.3Å; C777-L784 HydrophobicContact CB-CD2 3.8Å
778	D	98.2	Very high	96.8	Very high	24 Å²	24	40.2 Å²	40.2	13%	0.128	22%	0.223	C	C	.	.	S	Bend	trans	-78.3	60.1	164.9	55.1	-33.3	0	0	0	110.6	K520 F525 P765 G766 I768 W803	K520-D778 IonicContact NZ-OD1 3.88Å; K520-D778 PolarHBondContact NZ-OD1 2.94Å; F525-D778 HydrophobicContact CB-CB 4.24Å; F525-D778 HydrophobicContact CD1-CB 4.22Å; F525-D778 WeakPolarHBondContact CD1-OD2 3.27Å; P765-D778 WeakPolarHBondContact CA-OD1 3.16Å; P765-D778 VanDerWaalsContact CA-OD2 3.29Å; P765-D778 WeakPolarHBondContact CA-OD2 3.19Å; G766-D778 PolarHBondContact N-OD1 3.16Å; G766-D778 PolarHBondContact O-N 3.36Å; G766-D778 VanDerWaalsContact O-N 3.08Å; I768-D778 HydrophobicContact CD1-CB 3.88Å; D778-W803 HydrophobicContact CB-CH2 4.29Å
779	L	97.5	Very high	96.6	Very high	14 Å²	14	44 Å²	44	7%	0.073	25%	0.245	C	C	.	.	S	Bend	trans	-138.2	146.8	178.9	-66.9	177.9	0	0	0	109.4	N527 T529 N758 Y760 P765 C777 Q783 L784	N527-L779 CarbonylContact O-C 3.5Å; T529-L779 WeakPolarHBondContact CB-O 3.32Å; T529-L779 PolarHBondContact N-O 3.03Å; T529-L779 PolarHBondContact OG1-O 3.04Å; N758-L779 HydrophobicContact CB-CD1 4.37Å; Y760-L779 HydrophobicContact CE2-CD1 4.15Å; P765-L779 HydrophobicContact CB-CD2 4.21Å; C777-L779 HydrophobicContact CB-CB 4.13Å; C777-L779 HydrophobicContact CB-CD1 4.3Å; C777-L779 HydrophobicContact CB-CG 4.23Å; C777-L779 PolarHBondContact O-N 3.3Å; L779-Q783 HydrophobicContact CB-CB 4.19Å; L779-Q783 HydrophobicContact CD2-CB 4.45Å; L779-L784 HydrophobicContact CB-CD2 4.3Å; L779-L784 HydrophobicContact CD1-CD2 4.25Å
780	A	95.7	Very high	96.4	Very high	32 Å²	32	47.3 Å²	47.3	26%	0.264	26%	0.261	S	S	.	.			trans	-68.2	155.2	169.8	0	0	0	0	0	111.1	D782 Q783	A780-D782 VanDerWaalsContact C-N 3.28Å; A780-D782 WeakPolarHBondContact CB-OD1 3.24Å; A780-D782 PolarHBondContact O-N 3.44Å; A780-D782 VanDerWaalsContact O-N 3.17Å; A780-Q783 HydrophobicContact CB-CG 4.18Å; A780-Q783 WeakPolarHBondContact O-CB 3.4Å; A780-Q783 PolarHBondContact O-N 3.08Å
781	P	95	Very high	95.9	Very high	40 Å²	40	50 Å²	50	26%	0.26	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-50.4	-41	-177.9	-34.6	39.7	0	0	0	115.5	T529 Q783 L784 L799 T802 L823	T529-P781 HydrophobicContact CG2-CG 4.21Å; T529-P781 VanDerWaalsContact OG1-CD 3.3Å; T529-P781 WeakPolarHBondContact OG1-CD 3.46Å; P781-Q783 PolarHBondContact O-N 3.29Å; P781-L784 PolarHBondContact O-N 3.39Å; P781-L799 HydrophobicContact CB-CD1 3.98Å; P781-T802 HydrophobicContact CG-CG2 3.77Å; P781-L823 HydrophobicContact CB-CD2 3.88Å; P781-L823 HydrophobicContact CG-CD2 3.55Å
782	D	94.7	Very high	95.5	Very high	138 Å²	138	54.4 Å²	54.4	74%	0.738	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-73.7	-13.4	-178.5	65.9	-56.3	0	0	0	113.6	A780	A780-D782 VanDerWaalsContact C-N 3.28Å; A780-D782 WeakPolarHBondContact CB-OD1 3.24Å; A780-D782 PolarHBondContact O-N 3.44Å; A780-D782 VanDerWaalsContact O-N 3.17Å
783	Q	96.5	Very high	95.3	Very high	98 Å²	98	55.9 Å²	55.9	46%	0.458	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-92.6	-14.2	-179.5	-59.1	179.4	-39.2	0	0	113	L779 A780 P781	L779-Q783 HydrophobicContact CB-CB 4.19Å; L779-Q783 HydrophobicContact CD2-CB 4.45Å; A780-Q783 HydrophobicContact CB-CG 4.18Å; A780-Q783 WeakPolarHBondContact O-CB 3.4Å; A780-Q783 PolarHBondContact O-N 3.08Å; P781-Q783 PolarHBondContact O-N 3.29Å
784	L	96.7	Very high	95.2	Very high	20 Å²	20	53.7 Å²	53.7	11%	0.105	29%	0.288	C	S	.	.			trans	-66.4	132.2	179	-69.2	175.7	0	0	0	111.3	T529 A531 N758 C777 L779 P781 I787 L799	T529-L784 HydrophobicContact CG2-CD1 3.89Å; A531-L784 HydrophobicContact CB-CD1 4.46Å; N758-L784 WeakPolarHBondContact OD1-CA 3.19Å; C777-L784 HydrophobicContact CB-CD2 3.8Å; L779-L784 HydrophobicContact CB-CD2 4.3Å; L779-L784 HydrophobicContact CD1-CD2 4.25Å; P781-L784 PolarHBondContact O-N 3.39Å; L784-I787 HydrophobicContact CB-CD1 3.68Å; L784-I787 HydrophobicContact CB-CG1 4.15Å; L784-I787 HydrophobicContact CD1-CD1 3.71Å; L784-I787 HydrophobicContact CG-CD1 4.32Å; L784-L799 HydrophobicContact CD1-CD2 3.97Å
785	K	96.7	Very high	95	Very high	120 Å²	120	54.5 Å²	54.5	52%	0.522	29%	0.293	S	S	.	.			trans	-114.5	155.7	-179.1	-65.6	178.6	-171.6	160.1	0	111.7	A757 N758 Y760 I787	A757-K785 HydrophobicContact CB-CB 4.4Å; N758-K785 PolarHBondContact ND2-O 3.46Å; N758-K785 PolarHBondContact OD1-N 2.84Å; Y760-K785 PolarHBondContact OH-NZ 2.81Å; K785-I787 PolarHBondContact O-N 2.74Å
786	G	94.2	Very high	95	Very high	65 Å²	65	54.5 Å²	54.5	67%	0.67	29%	0.293	S	S	*	.	S	Bend	trans	72.5	10.9	173.2	0	0	0	0	0	114.9
787	I	95	Very high	94.9	Very high	31 Å²	31	54.6 Å²	54.6	16%	0.159	29%	0.293	C	S	.	.			trans	-116.2	144.3	176.4	64.8	169.5	0	0	0	110.7	A531 A754 I775 L784 K785 V789 W797 L799	A531-I787 HydrophobicContact CB-CD1 4.49Å; A754-I787 HydrophobicContact CB-CG2 3.81Å; I775-I787 HydrophobicContact CD1-CG2 4.17Å; L784-I787 HydrophobicContact CB-CD1 3.68Å; L784-I787 HydrophobicContact CB-CG1 4.15Å; L784-I787 HydrophobicContact CD1-CD1 3.71Å; L784-I787 HydrophobicContact CG-CD1 4.32Å; K785-I787 PolarHBondContact O-N 2.74Å; I787-V789 HydrophobicContact CD1-CG2 3.85Å; I787-V789 HydrophobicContact CG1-CG2 4.12Å; I787-W797 HydrophobicContact CB-CB 4.23Å; I787-W797 HydrophobicContact CB-CD2 4.26Å; I787-W797 HydrophobicContact CB-CG 3.73Å; I787-W797 HydrophobicContact CD1-CB 4.39Å; I787-W797 HydrophobicContact CG2-CD2 3.79Å; I787-W797 HydrophobicContact CG2-CG 3.83Å; I787-W797 HydrophobicContact CG2-CZ2 4.38Å; I787-L799 HydrophobicContact CD1-CD2 4.15Å
788	K	95.6	Very high	94.8	Very high	135 Å²	135	56 Å²	56	59%	0.587	30%	0.301	S	S	*	.			trans	-102.2	110	169.4	-179.1	179.4	176.3	-176.7	0	107.8	C796 W797	K788-C796 CarbonylContact O-C 3.56Å; K788-C796 WeakPolarHBondContact O-CA 3.26Å; K788-C796 VanDerWaalsContact O-CB 3.26Å; K788-C796 WeakPolarHBondContact O-CB 3.45Å; K788-W797 PolarHBondContact O-N 3.02Å
789	V	95	Very high	94.7	Very high	79 Å²	79	55.1 Å²	55.1	48%	0.479	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-82.7	127.6	-174.2	178.4	0	0	0	0	111.2	I787 W797 L799	I787-V789 HydrophobicContact CD1-CG2 3.85Å; I787-V789 HydrophobicContact CG1-CG2 4.12Å; V789-W797 CarbonylContact C-O 3.58Å; V789-W797 VanDerWaalsContact CA-O 3.32Å; V789-W797 WeakPolarHBondContact CA-O 3.07Å; V789-L799 HydrophobicContact CG1-CD1 3.94Å; V789-L799 HydrophobicContact CG1-CG 3.9Å; V789-L799 HydrophobicContact CG2-CD1 4.26Å; V789-L799 HydrophobicContact CG2-CD2 4.26Å; V789-L799 HydrophobicContact CG2-CG 4.3Å
790	H	93.3	Very high	94.6	Very high	72 Å²	72	58.8 Å²	58.8	33%	0.333	31%	0.313	S	S	.	.			trans	-168.4	134.8	166.9	-167.6	-63.2	0	0	0	108.3	N534 K792 N793 C796 W797	N534-H790 PolarHBondContact ND2-O 3.34Å; H790-K792 PolarHBondContact ND1-N 2.81Å; H790-K792 VanDerWaalsContact ND1-N 3.19Å; H790-K792 PolarHBondContact O-N 3.2Å; H790-K792 VanDerWaalsContact O-N 3.09Å; H790-N793 HydrophobicContact CB-CB 4.18Å; H790-N793 PolarHBondContact CD2-ND2 3.43Å; H790-N793 PolarHBondContact CE1-OD1 3.11Å; H790-N793 PolarHBondContact ND1-N 2.83Å; H790-N793 PolarHBondContact NE2-ND2 2.94Å; H790-N793 VanDerWaalsContact NE2-ND2 3.13Å; H790-C796 HydrophobicContact CB-CB 3.68Å; H790-W797 CarbonylContact C-O 3.42Å; H790-W797 PolarHBondContact N-O 3.44Å; H790-W797 CarbonylContact O-C 3.47Å
791	N	88.3	Confident	94.6	Very high	56 Å²	56	57.5 Å²	57.5	30%	0.299	30%	0.302	S	S	.	.	S	Bend	trans	-75	4.3	-174.6	65.5	-10.7	0	0	0	116.9	N534 D798 E822	N534-N791 PolarHBondContact OD1-O 3.03Å; N534-N791 VanDerWaalsContact OD1-O 3.09Å; N791-D798 WeakPolarHBondContact CA-OD1 3.38Å; N791-D798 VanDerWaalsContact CB-OD1 3.28Å; N791-D798 WeakPolarHBondContact CB-OD1 3.44Å; N791-E822 PolarHBondContact ND2-OE2 3.28Å; N791-E822 VanDerWaalsContact ND2-OE2 3.16Å
792	K	87.7	Confident	94.7	Very high	127 Å²	127	56.6 Å²	56.6	55%	0.552	30%	0.296	S	S	*	.	S	Bend	trans	-151	-33.6	-168.1	-69.6	177.1	-171	167.4	0	114.6	N534 H790	N534-K792 WeakPolarHBondContact OD1-CA 3.33Å; N534-K792 PolarHBondContact OD1-N 3.22Å; H790-K792 PolarHBondContact ND1-N 2.81Å; H790-K792 VanDerWaalsContact ND1-N 3.19Å; H790-K792 PolarHBondContact O-N 3.2Å; H790-K792 VanDerWaalsContact O-N 3.09Å
793	N	92.3	Very high	94.9	Very high	59 Å²	59	50.1 Å²	50.1	32%	0.316	26%	0.261	S	S	.	.	S	Bend	trans	-70.6	143.6	-175	-71.6	-7.3	0	0	0	111	N534 H790 C796	N534-N793 VanDerWaalsContact CB-O 3.27Å; N534-N793 WeakPolarHBondContact CB-O 3.24Å; N534-N793 PolarHBondContact ND2-O 3.46Å; H790-N793 HydrophobicContact CB-CB 4.18Å; H790-N793 PolarHBondContact CD2-ND2 3.43Å; H790-N793 PolarHBondContact CE1-OD1 3.11Å; H790-N793 PolarHBondContact ND1-N 2.83Å; H790-N793 PolarHBondContact NE2-ND2 2.94Å; H790-N793 VanDerWaalsContact NE2-ND2 3.13Å; N793-C796 HydrophobicContact CB-CB 4.29Å; N793-C796 WeakPolarHBondContact O-CB 3.29Å; N793-C796 PolarHBondContact O-N 3.46Å
794	F	93.1	Very high	95	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.035	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	155.8	170.7	-72.1	-12.2	0	0	0	111.4	P538 S539 E544 I674 K678 L696 C796	P538-F794 HydrophobicContact CB-CE1 4.4Å; P538-F794 HydrophobicContact CB-CE2 4.48Å; P538-F794 HydrophobicContact CB-CZ 4.06Å; S539-F794 VanDerWaalsContact OG-CA 3.29Å; S539-F794 WeakPolarHBondContact OG-CA 3.39Å; S539-F794 VanDerWaalsContact OG-CB 3.32Å; S539-F794 WeakPolarHBondContact OG-CB 3.39Å; E544-F794 WeakPolarHBondContact OE1-CD2 3.24Å; I674-F794 HydrophobicContact CG2-CD2 4.39Å; I674-F794 HydrophobicContact CG2-CE2 3.59Å; I674-F794 HydrophobicContact CG2-CZ 4.45Å; K678-F794 HydrophobicContact CB-CE2 4.09Å; K678-F794 HydrophobicContact CB-CZ 4.14Å; K678-F794 HydrophobicContact CD-CD2 3.93Å; K678-F794 HydrophobicContact CD-CE2 3.63Å; K678-F794 HydrophobicContact CD-CZ 4.22Å; K678-F794 HydrophobicContact CG-CE2 3.87Å; K678-F794 HydrophobicContact CG-CZ 3.95Å; L696-F794 HydrophobicContact CD1-CZ 4.27Å; L696-F794 HydrophobicContact CD2-CZ 4.39Å; F794-C796 PolarHBondContact O-N 3.33Å; F794-C796 PolarHBondContact O-SG 2.92Å; F794-C796 VanDerWaalsContact O-SG 3.33Å
795	C	94.9	Very high	95	Very high	24 Å²	24	49.7 Å²	49.7	16%	0.162	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	21.2	-175.8	-53.5	0	0	0	0	113.8	S539	S539-C795 PolarHBondContact OG-N 3.06Å
796	C	96.7	Very high	95	Very high	1 Å²	1	44 Å²	44	1%	0.007	24%	0.236	C	C	.	.			trans	-122.5	158	176.5	-57.1	0	0	0	0	110.3	N534 K788 H790 N793 F794	N534-C796 PolarHBondContact N-O 2.76Å; N534-C796 PolarHBondContact ND2-O 3.48Å; K788-C796 CarbonylContact O-C 3.56Å; K788-C796 WeakPolarHBondContact O-CA 3.26Å; K788-C796 VanDerWaalsContact O-CB 3.26Å; K788-C796 WeakPolarHBondContact O-CB 3.45Å; H790-C796 HydrophobicContact CB-CB 3.68Å; N793-C796 HydrophobicContact CB-CB 4.29Å; N793-C796 WeakPolarHBondContact O-CB 3.29Å; N793-C796 PolarHBondContact O-N 3.46Å; F794-C796 PolarHBondContact O-N 3.33Å; F794-C796 PolarHBondContact O-SG 2.92Å; F794-C796 VanDerWaalsContact O-SG 3.33Å
797	W	97.2	Very high	95.2	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.011	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.1	178.9	-63.2	73.9	0	0	0	109.6	A531 D532 V533 F750 T751 A754 D773 I775 I787 K788 V789 H790	A531-W797 HydrophobicContact CB-CE3 3.87Å; A531-W797 WeakPolarHBondContact O-CZ3 3.48Å; D532-W797 CarbonylContact O-C 3.55Å; D532-W797 WeakPolarHBondContact O-CA 3.35Å; V533-W797 HydrophobicContact CG2-CD2 3.62Å; V533-W797 VanDerWaalsContact CG2-CE2 3.49Å; V533-W797 HydrophobicContact CG2-CE3 3.62Å; V533-W797 HydrophobicContact CG2-CG 4.39Å; V533-W797 HydrophobicContact CG2-CH2 3.45Å; V533-W797 VanDerWaalsContact CG2-CH2 3.45Å; V533-W797 HydrophobicContact CG2-CZ2 3.42Å; V533-W797 VanDerWaalsContact CG2-CZ2 3.42Å; V533-W797 HydrophobicContact CG2-CZ3 3.54Å; F750-W797 AromaticContact CD1-CZ2 3.92Å; F750-W797 HydrophobicContact CD1-CZ2 3.92Å; F750-W797 AromaticContact CE1-CE2 3.68Å; F750-W797 AromaticContact CE1-CZ2 3.76Å; F750-W797 HydrophobicContact CE1-CZ2 3.76Å; F750-W797 AromaticContact CE1-NE1 3.31Å; F750-W797 VanDerWaalsContact CE1-NE1 3.31Å; F750-W797 AromaticContact CZ-NE1 3.73Å; T751-W797 HydrophobicContact CG2-CH2 4.28Å; A754-W797 HydrophobicContact CB-CH2 3.74Å; A754-W797 HydrophobicContact CB-CZ2 3.22Å; D773-W797 WeakPolarHBondContact O-CZ3 3.19Å; I775-W797 HydrophobicContact CB-CZ3 4.29Å; I775-W797 HydrophobicContact CD1-CH2 4.39Å; I775-W797 HydrophobicContact CD1-CZ3 4.18Å; I775-W797 HydrophobicContact CG1-CE3 4.24Å; I775-W797 HydrophobicContact CG1-CH2 4.28Å; I775-W797 HydrophobicContact CG1-CZ3 3.73Å; I775-W797 HydrophobicContact CG2-CH2 3.84Å; I775-W797 HydrophobicContact CG2-CZ3 3.96Å; I787-W797 HydrophobicContact CB-CB 4.23Å; I787-W797 HydrophobicContact CB-CD2 4.26Å; I787-W797 HydrophobicContact CB-CG 3.73Å; I787-W797 HydrophobicContact CD1-CB 4.39Å; I787-W797 HydrophobicContact CG2-CD2 3.79Å; I787-W797 HydrophobicContact CG2-CG 3.83Å; I787-W797 HydrophobicContact CG2-CZ2 4.38Å; K788-W797 PolarHBondContact O-N 3.02Å; V789-W797 CarbonylContact C-O 3.58Å; V789-W797 VanDerWaalsContact CA-O 3.32Å; V789-W797 WeakPolarHBondContact CA-O 3.07Å; H790-W797 CarbonylContact C-O 3.42Å; H790-W797 PolarHBondContact N-O 3.44Å; H790-W797 CarbonylContact O-C 3.47Å
798	D	96.3	Very high	95.3	Very high	29 Å²	29	40.3 Å²	40.3	16%	0.155	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	142.4	163.7	-164.7	12.2	0	0	0	109.4	A531 D532 N791 E800	A531-D798 CarbonylContact C-O 3.56Å; A531-D798 VanDerWaalsContact CA-O 3.24Å; A531-D798 WeakPolarHBondContact CA-O 3.46Å; D532-D798 PolarHBondContact N-O 3.01Å; D532-D798 PolarHBondContact O-N 3.2Å; N791-D798 WeakPolarHBondContact CA-OD1 3.38Å; N791-D798 VanDerWaalsContact CB-OD1 3.28Å; N791-D798 WeakPolarHBondContact CB-OD1 3.44Å; D798-E800 PolarHBondContact O-N 2.83Å
799	L	96.5	Very high	95.4	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	77	175.5	-60.9	-177.9	0	0	0	107.3	T529 A531 P781 L784 I787 V789 S801 E822 L823	T529-L799 HydrophobicContact CG2-CD2 4.17Å; A531-L799 HydrophobicContact CB-CD2 3.84Å; P781-L799 HydrophobicContact CB-CD1 3.98Å; L784-L799 HydrophobicContact CD1-CD2 3.97Å; I787-L799 HydrophobicContact CD1-CD2 4.15Å; V789-L799 HydrophobicContact CG1-CD1 3.94Å; V789-L799 HydrophobicContact CG1-CG 3.9Å; V789-L799 HydrophobicContact CG2-CD1 4.26Å; V789-L799 HydrophobicContact CG2-CD2 4.26Å; V789-L799 HydrophobicContact CG2-CG 4.3Å; L799-S801 VanDerWaalsContact C-N 3.31Å; L799-S801 PolarHBondContact O-N 2.88Å; L799-E822 WeakPolarHBondContact O-CA 3.28Å; L799-E822 PolarHBondContact O-N 2.91Å; L799-L823 HydrophobicContact CB-CD2 4.25Å; L799-L823 HydrophobicContact CB-CG 4.46Å; L799-L823 HydrophobicContact CD1-CD1 4.09Å; L799-L823 HydrophobicContact CD1-CD2 3.93Å; L799-L823 HydrophobicContact CD1-CG 4.24Å
800	E	94.1	Very high	95.4	Very high	91 Å²	91	34.4 Å²	34.4	43%	0.425	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	-46.3	-169.3	-173.1	-177.1	-163.4	0	0	111.6	T530 D798 E821 E822	T530-E800 PolarHBondContact O-N 2.98Å; T530-E800 VanDerWaalsContact O-N 3.1Å; D798-E800 PolarHBondContact O-N 2.83Å; E800-E821 WeakPolarHBondContact O-CA 3.33Å; E800-E822 PolarHBondContact O-N 3.31Å
801	S	96.9	Very high	95.5	Very high	5 Å²	5	33.2 Å²	33.2	4%	0.035	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	155	179.9	66.1	0	0	0	0	113.7	T530 L799 A820	T530-S801 PolarHBondContact N-O 3.36Å; T530-S801 PolarHBondContact O-N 3.06Å; L799-S801 VanDerWaalsContact C-N 3.31Å; L799-S801 PolarHBondContact O-N 2.88Å; S801-A820 CarbonylContact C-O 3.57Å; S801-A820 VanDerWaalsContact CA-O 3.3Å; S801-A820 WeakPolarHBondContact CA-O 3.37Å
802	T	97.9	Very high	95.8	Very high	21 Å²	21	34.8 Å²	34.8	13%	0.129	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.8	160.8	63.1	0	0	0	0	109.5	G528 T529 P781 I819 A820 L823	G528-T802 CarbonylContact O-C 3.59Å; G528-T802 VanDerWaalsContact O-CA 3.32Å; G528-T802 WeakPolarHBondContact O-CA 3.35Å; T529-T802 HydrophobicContact CG2-CG2 4.3Å; P781-T802 HydrophobicContact CG-CG2 3.77Å; T802-I819 WeakPolarHBondContact O-CG1 3.41Å; T802-I819 PolarHBondContact O-N 3.45Å; T802-A820 PolarHBondContact N-O 2.72Å; T802-A820 PolarHBondContact O-N 2.71Å; T802-A820 VanDerWaalsContact OG1-CB 3.24Å; T802-A820 WeakPolarHBondContact OG1-CB 3.12Å; T802-L823 HydrophobicContact CG2-CD2 4.34Å
803	W	98.1	Very high	96.3	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.3	-175	46.2	-99.4	0	0	0	111.5	F525 N527 G528 T530 I768 D778 F808 E816 H817	F525-W803 HydrophobicContact CB-CH2 3.86Å; F525-W803 HydrophobicContact CB-CZ3 3.88Å; N527-W803 CarbonylContact C-O 3.55Å; N527-W803 WeakPolarHBondContact CA-O 3.12Å; N527-W803 PolarHBondContact N-O 2.63Å; G528-W803 PolarHBondContact N-O 2.93Å; G528-W803 PolarHBondContact O-N 2.94Å; T530-W803 PolarHBondContact OG1-NE1 3.03Å; I768-W803 HydrophobicContact CD1-CH2 3.78Å; I768-W803 HydrophobicContact CD1-CZ2 4.16Å; D778-W803 HydrophobicContact CB-CH2 4.29Å; W803-F808 HydrophobicContact CH2-CE2 4.25Å; W803-F808 HydrophobicContact CZ2-CE2 4.27Å; W803-F808 HydrophobicContact CZ2-CZ 4.15Å; W803-E816 HydrophobicContact CB-CB 4.06Å; W803-E816 VanDerWaalsContact CD1-CD 3.47Å; W803-E816 HydrophobicContact CD2-CG 4.27Å; W803-E816 HydrophobicContact CG-CB 3.97Å; W803-E816 HydrophobicContact CG-CG 4.06Å; W803-E816 VanDerWaalsContact NE1-CD 3.35Å; W803-E816 PolarHBondContact NE1-OE1 3.38Å; W803-H817 CarbonylContact C-O 3.52Å; W803-H817 WeakPolarHBondContact CA-O 3.43Å; W803-H817 WeakPolarHBondContact CB-O 3.35Å
804	D	97.4	Very high	96.6	Very high	50 Å²	50	27 Å²	27	27%	0.267	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-24.8	179.2	59.9	-4.9	0	0	0	112.8	H526 N527 H817 I819	H526-D804 WeakPolarHBondContact CA-O 3.43Å; H526-D804 WeakPolarHBondContact CB-O 3.37Å; H526-D804 PolarHBondContact ND1-O 3.11Å; N527-D804 PolarHBondContact N-O 3.17Å; D804-H817 VanDerWaalsContact CG-ND1 3.34Å; D804-H817 PolarHBondContact N-O 3.11Å; D804-H817 VanDerWaalsContact N-O 3.16Å; D804-H817 VanDerWaalsContact OD1-CB 3.28Å; D804-H817 WeakPolarHBondContact OD1-CB 3.47Å; D804-H817 IonicContact OD1-CE1 2.85Å; D804-H817 IonicContact OD1-CG 3.85Å; D804-H817 IonicContact OD1-ND1 3.79Å; D804-H817 PolarHBondContact OD1-ND1 2.97Å; D804-H817 VanDerWaalsContact OD1-O 3.08Å; D804-H817 IonicContact OD2-CE1 2.74Å; D804-H817 IonicContact OD2-ND1 2.97Å; D804-H817 PolarHBondContact OD2-ND1 2.74Å; D804-I819 HydrophobicContact CB-CD1 4.34Å; D804-I819 HydrophobicContact CB-CG2 4.12Å
805	E	97.2	Very high	96.8	Very high	59 Å²	59	26.7 Å²	26.7	28%	0.276	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.8	173.9	-61.2	-167.4	159.8	0	0	111.7	L524 F525 E816 H817	L524-E805 HydrophobicContact CD1-CB 4.29Å; F525-E805 CarbonylContact O-C 3.55Å; F525-E805 WeakPolarHBondContact O-CA 3.23Å; E805-E816 CarbonylContact O-C 3.03Å; E805-E816 WeakPolarHBondContact O-CA 3.4Å; E805-H817 HydrophobicContact CB-CB 4.16Å; E805-H817 PolarHBondContact O-N 3.37Å
806	G	97.7	Very high	96.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.8	176.4	0	0	0	0	0	112.1	F525 I815	F525-G806 PolarHBondContact N-O 3.1Å; F525-G806 PolarHBondContact O-N 3.28Å; G806-I815 CarbonylContact C-O 3.6Å; G806-I815 WeakPolarHBondContact CA-O 3.48Å
807	W	97.8	Very high	97	Very high	17 Å²	17	27 Å²	27	6%	0.064	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115	178.7	-178.4	-103.3	0	0	0	111	Q522 K523 L524 Y814 I815 V883 K884 F886	Q522-W807 HydrophobicContact CB-CH2 3.91Å; Q522-W807 HydrophobicContact CB-CZ2 3.86Å; Q522-W807 HydrophobicContact CG-CZ2 4.31Å; Q522-W807 WeakPolarHBondContact O-CH2 3.3Å; Q522-W807 WeakPolarHBondContact O-CZ3 3.36Å; K523-W807 VanDerWaalsContact C-CE3 3.43Å; K523-W807 VanDerWaalsContact C-CZ3 3.47Å; L524-W807 HydrophobicContact CB-CE3 4.31Å; W807-Y814 CarbonylContact O-C 3.54Å; W807-Y814 WeakPolarHBondContact O-CA 3.49Å; W807-Y814 WeakPolarHBondContact O-CB 3.46Å; W807-I815 PolarHBondContact N-O 3.19Å; W807-I815 PolarHBondContact O-N 3.13Å; W807-V883 HydrophobicContact CB-CG1 3.91Å; W807-V883 VanDerWaalsContact CD1-O 3.3Å; W807-V883 HydrophobicContact CG-CG1 4.48Å; W807-V883 PolarHBondContact NE1-O 2.97Å; W807-K884 HydrophobicContact CE3-CG 4.22Å; W807-K884 HydrophobicContact CH2-CB 4.17Å; W807-K884 HydrophobicContact CH2-CG 4.1Å; W807-K884 HydrophobicContact CZ2-CB 4.26Å; W807-K884 HydrophobicContact CZ3-CB 4.46Å; W807-K884 HydrophobicContact CZ3-CG 3.91Å; W807-F886 PolarHBondContact NE1-O 2.94Å
808	F	97.6	Very high	97	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.8	-172.3	-61.8	-98.8	0	0	0	111.1	L516 Q522 F525 I768 Y769 H776 W803 Y814 E816	L516-F808 HydrophobicContact CD1-CB 3.67Å; L516-F808 HydrophobicContact CD1-CD1 4.47Å; L516-F808 HydrophobicContact CD1-CG 4.3Å; L516-F808 HydrophobicContact CD2-CB 4.21Å; Q522-F808 PolarHBondContact N-O 3.43Å; F525-F808 AromaticContact CD2-CD2 3.97Å; F525-F808 HydrophobicContact CD2-CD2 3.97Å; F525-F808 HydrophobicContact CD2-CE2 4.33Å; F525-F808 HydrophobicContact CE2-CD2 4.37Å; I768-F808 HydrophobicContact CD1-CE2 3.95Å; I768-F808 HydrophobicContact CD1-CZ 4.44Å; I768-F808 HydrophobicContact CG2-CB 4.32Å; I768-F808 HydrophobicContact CG2-CD1 4.05Å; I768-F808 HydrophobicContact CG2-CD2 3.66Å; I768-F808 HydrophobicContact CG2-CE1 4.28Å; I768-F808 HydrophobicContact CG2-CE2 3.91Å; I768-F808 HydrophobicContact CG2-CG 3.74Å; I768-F808 HydrophobicContact CG2-CZ 4.22Å; Y769-F808 HydrophobicContact CD1-CE1 4.38Å; Y769-F808 HydrophobicContact CG-CD1 4.14Å; Y769-F808 HydrophobicContact CG-CE1 4.3Å; H776-F808 HydrophobicContact CB-CE1 4.06Å; H776-F808 HydrophobicContact CB-CZ 4.1Å; W803-F808 HydrophobicContact CH2-CE2 4.25Å; W803-F808 HydrophobicContact CZ2-CE2 4.27Å; W803-F808 HydrophobicContact CZ2-CZ 4.15Å; F808-Y814 VanDerWaalsContact CD1-CB 3.48Å; F808-Y814 HydrophobicContact CD1-CD1 4.36Å; F808-Y814 HydrophobicContact CD1-CD2 4.48Å; F808-Y814 AromaticContact CD1-CG 3.9Å; F808-Y814 HydrophobicContact CD1-CG 3.9Å; F808-Y814 HydrophobicContact CE1-CD1 4.46Å; F808-Y814 HydrophobicContact CE1-CD2 4.07Å; F808-Y814 AromaticContact CE1-CG 3.92Å; F808-Y814 HydrophobicContact CE1-CG 3.92Å; F808-E816 HydrophobicContact CZ-CG 4.27Å; F808-E816 WeakPolarHBondContact CZ-OE1 3.43Å
809	V	96.8	Very high	97.1	Very high	8 Å²	8	28.6 Å²	28.6	5%	0.048	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-52.2	-173.3	-172.5	0	0	0	0	111.5	T813 F886 V888 M914	V809-T813 HydrophobicContact CB-CG2 3.94Å; V809-T813 HydrophobicContact CG2-CG2 4.18Å; V809-T813 PolarHBondContact N-O 2.83Å; V809-F886 HydrophobicContact CG2-CD1 3.98Å; V809-F886 WeakPolarHBondContact CG2-O 3.42Å; V809-V888 HydrophobicContact CG1-CG2 4.28Å; V809-M914 HydrophobicContact CG1-SD 4.05Å
810	R	94.7	Very high	97.1	Very high	83 Å²	83	28.7 Å²	28.7	31%	0.313	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	177.6	-179.3	60.6	173.6	172.8	77.7	-11.7	111.1	K812 T813 R915	R810-K812 PolarHBondContact O-N 2.8Å; R810-T813 HydrophobicContact CG-CG2 4.39Å; R810-T813 PolarHBondContact N-O 3.01Å; R810-T813 PolarHBondContact NH1-OG1 3.08Å; R810-T813 PolarHBondContact O-N 3.19Å; R810-T813 VanDerWaalsContact O-O 3.11Å; R810-R915 VanDerWaalsContact CZ-O 3.28Å; R810-R915 PolarHBondContact NE-O 2.87Å; R810-R915 PolarHBondContact NH2-O 3.48Å
811	Q	95.1	Very high	97.2	Very high	47 Å²	47	28.3 Å²	28.3	22%	0.22	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	127.4	173.3	-72.5	174.8	5.7	0	0	111.4	C514 N602 T813	C514-Q811 PolarHBondContact O-NE2 3.3Å; C514-Q811 VanDerWaalsContact O-NE2 3.1Å; N602-Q811 PolarHBondContact O-NE2 3.4Å; N602-Q811 PolarHBondContact O-OE1 2.86Å; Q811-T813 PolarHBondContact O-N 2.78Å
812	K	96	Very high	96.9	Very high	89 Å²	89	33.2 Å²	33.2	39%	0.387	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.5	-177.5	-48.8	-178.1	177.4	-79.3	0	114.8	Y769 D771 R810 C835 A836	Y769-K812 WeakPolarHBondContact OH-CA 3.38Å; Y769-K812 PolarHBondContact OH-N 2.98Å; D771-K812 IonicContact OD1-NZ 3.32Å; D771-K812 PolarHBondContact OD1-NZ 3.14Å; D771-K812 WeakPolarHBondContact OD2-CG 3.43Å; D771-K812 IonicContact OD2-NZ 2.88Å; D771-K812 PolarHBondContact OD2-NZ 2.82Å; R810-K812 PolarHBondContact O-N 2.8Å; K812-C835 CarbonylContact O-C 3.59Å; K812-C835 VanDerWaalsContact O-CA 3.23Å; K812-C835 WeakPolarHBondContact O-CA 3.49Å; K812-A836 HydrophobicContact CB-CB 3.83Å; K812-A836 HydrophobicContact CD-CB 4.33Å; K812-A836 PolarHBondContact O-N 3.32Å
813	T	97.6	Very high	96.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	100.4	178.9	-56.9	0	0	0	0	111.4	V809 R810 Q811 K834 C835 F886 M914	V809-T813 HydrophobicContact CB-CG2 3.94Å; V809-T813 HydrophobicContact CG2-CG2 4.18Å; V809-T813 PolarHBondContact N-O 2.83Å; R810-T813 HydrophobicContact CG-CG2 4.39Å; R810-T813 PolarHBondContact N-O 3.01Å; R810-T813 PolarHBondContact NH1-OG1 3.08Å; R810-T813 PolarHBondContact O-N 3.19Å; R810-T813 VanDerWaalsContact O-O 3.11Å; Q811-T813 PolarHBondContact O-N 2.78Å; T813-K834 CarbonylContact C-O 3.52Å; T813-K834 WeakPolarHBondContact CA-O 3.34Å; T813-C835 HydrophobicContact CG2-CB 4.31Å; T813-F886 HydrophobicContact CG2-CD1 4.4Å; T813-F886 HydrophobicContact CG2-CE1 3.66Å; T813-F886 HydrophobicContact CG2-CZ 4.31Å; T813-M914 HydrophobicContact CG2-CE 3.84Å; T813-M914 HydrophobicContact CG2-SD 3.85Å
814	Y	97.9	Very high	96.4	Very high	21 Å²	21	43 Å²	43	8%	0.082	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	166.4	178.8	62.2	-92.6	0	0	0	112.3	Y769 H776 W807 F808 E816 K834	Y769-Y814 HydrophobicContact CD1-CD1 4.1Å; Y769-Y814 AromaticContact CD1-CE1 3.86Å; Y769-Y814 HydrophobicContact CD1-CE1 3.86Å; Y769-Y814 AromaticContact CE1-CD1 3.9Å; Y769-Y814 HydrophobicContact CE1-CD1 3.9Å; Y769-Y814 AromaticContact CE1-CE1 3.44Å; Y769-Y814 HydrophobicContact CE1-CE1 3.44Å; Y769-Y814 VanDerWaalsContact CE1-CE1 3.44Å; H776-Y814 AromaticContact CE1-CE2 3.73Å; H776-Y814 AromaticContact CE1-CZ 3.46Å; H776-Y814 VanDerWaalsContact CE1-CZ 3.46Å; H776-Y814 PolarHBondContact CE1-OH 2.92Å; W807-Y814 CarbonylContact O-C 3.54Å; W807-Y814 WeakPolarHBondContact O-CA 3.49Å; W807-Y814 WeakPolarHBondContact O-CB 3.46Å; F808-Y814 VanDerWaalsContact CD1-CB 3.48Å; F808-Y814 HydrophobicContact CD1-CD1 4.36Å; F808-Y814 HydrophobicContact CD1-CD2 4.48Å; F808-Y814 AromaticContact CD1-CG 3.9Å; F808-Y814 HydrophobicContact CD1-CG 3.9Å; F808-Y814 HydrophobicContact CE1-CD1 4.46Å; F808-Y814 HydrophobicContact CE1-CD2 4.07Å; F808-Y814 AromaticContact CE1-CG 3.92Å; F808-Y814 HydrophobicContact CE1-CG 3.92Å; Y814-E816 HydrophobicContact CD2-CG 4Å; Y814-E816 HydrophobicContact CE2-CG 4.2Å; Y814-K834 HydrophobicContact CD1-CB 4.05Å; Y814-K834 HydrophobicContact CD2-CB 4.21Å; Y814-K834 HydrophobicContact CD2-CG 4.22Å; Y814-K834 HydrophobicContact CE1-CB 3.74Å; Y814-K834 HydrophobicContact CE1-CG 4.02Å; Y814-K834 HydrophobicContact CE2-CB 3.92Å; Y814-K834 HydrophobicContact CE2-CG 3.52Å; Y814-K834 HydrophobicContact CG-CB 4.28Å; Y814-K834 VanDerWaalsContact CZ-CG 3.42Å; Y814-K834 PolarHBondContact N-O 3.03Å; Y814-K834 PolarHBondContact O-N 3.28Å; Y814-K834 VanDerWaalsContact O-O 3.04Å
815	I	98	Very high	96.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.5	172.3	-57.7	-177.6	0	0	0	108.6	G806 W807 Y831 V833 F846 V883 F886	G806-I815 CarbonylContact C-O 3.6Å; G806-I815 WeakPolarHBondContact CA-O 3.48Å; W807-I815 PolarHBondContact N-O 3.19Å; W807-I815 PolarHBondContact O-N 3.13Å; I815-Y831 HydrophobicContact CG2-CD1 3.61Å; I815-Y831 HydrophobicContact CG2-CE1 4.44Å; I815-Y831 HydrophobicContact CG2-CG 4.33Å; I815-V833 HydrophobicContact CD1-CG1 4.48Å; I815-V833 HydrophobicContact CD1-CG2 4.13Å; I815-V833 HydrophobicContact CG1-CB 4.46Å; I815-V833 HydrophobicContact CG1-CG1 4.21Å; I815-V833 HydrophobicContact CG1-CG2 4.09Å; I815-V833 HydrophobicContact CG2-CG2 4.33Å; I815-F846 HydrophobicContact CD1-CD1 4.21Å; I815-F846 HydrophobicContact CD1-CE1 3.48Å; I815-F846 VanDerWaalsContact CD1-CE1 3.48Å; I815-F846 HydrophobicContact CD1-CZ 4.23Å; I815-V883 HydrophobicContact CB-CG1 3.85Å; I815-V883 HydrophobicContact CD1-CG1 3.84Å; I815-V883 HydrophobicContact CG1-CG1 4.39Å; I815-V883 HydrophobicContact CG2-CG1 3.77Å; I815-F886 HydrophobicContact CD1-CB 3.61Å; I815-F886 HydrophobicContact CD1-CD1 3.62Å; I815-F886 HydrophobicContact CD1-CD2 3.73Å; I815-F886 HydrophobicContact CD1-CE1 4.1Å; I815-F886 HydrophobicContact CD1-CE2 4.2Å; I815-F886 HydrophobicContact CD1-CG 3.38Å; I815-F886 HydrophobicContact CD1-CZ 4.35Å; I815-F886 HydrophobicContact CG1-CB 4.49Å; I815-F886 HydrophobicContact CG1-CD1 3.65Å; I815-F886 HydrophobicContact CG1-CD2 4.48Å; I815-F886 HydrophobicContact CG1-CE1 3.81Å; I815-F886 HydrophobicContact CG1-CG 3.99Å; I815-F886 HydrophobicContact CG1-CZ 4.28Å
816	E	98.1	Very high	96.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.3	171.7	-69.1	173.7	156	0	0	109.1	T530 H776 W803 E805 F808 Y814 Y831 N832	T530-E816 PolarHBondContact OG1-OE1 3.47Å; T530-E816 VanDerWaalsContact OG1-OE1 3.11Å; T530-E816 PolarHBondContact OG1-OE2 3.26Å; H776-E816 IonicContact CE1-OE1 3.97Å; H776-E816 IonicContact CE1-OE2 2.73Å; H776-E816 IonicContact CG-OE1 3.27Å; H776-E816 IonicContact ND1-OE1 2.82Å; H776-E816 PolarHBondContact ND1-OE1 2.86Å; H776-E816 IonicContact ND1-OE2 3.84Å; W803-E816 HydrophobicContact CB-CB 4.06Å; W803-E816 VanDerWaalsContact CD1-CD 3.47Å; W803-E816 HydrophobicContact CD2-CG 4.27Å; W803-E816 HydrophobicContact CG-CB 3.97Å; W803-E816 HydrophobicContact CG-CG 4.06Å; W803-E816 VanDerWaalsContact NE1-CD 3.35Å; W803-E816 PolarHBondContact NE1-OE1 3.38Å; E805-E816 CarbonylContact O-C 3.03Å; E805-E816 WeakPolarHBondContact O-CA 3.4Å; F808-E816 HydrophobicContact CZ-CG 4.27Å; F808-E816 WeakPolarHBondContact CZ-OE1 3.43Å; Y814-E816 HydrophobicContact CD2-CG 4Å; Y814-E816 HydrophobicContact CE2-CG 4.2Å; E816-Y831 CarbonylContact O-C 3.3Å; E816-N832 PolarHBondContact N-O 3.02Å; E816-N832 PolarHBondContact O-N 3.31Å
817	H	97.9	Very high	96.2	Very high	32 Å²	32	54 Å²	54	15%	0.148	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	101.9	172.4	-175.3	-116.2	0	0	0	109.3	W803 D804 E805 Y830 Y831	W803-H817 CarbonylContact C-O 3.52Å; W803-H817 WeakPolarHBondContact CA-O 3.43Å; W803-H817 WeakPolarHBondContact CB-O 3.35Å; D804-H817 VanDerWaalsContact CG-ND1 3.34Å; D804-H817 PolarHBondContact N-O 3.11Å; D804-H817 VanDerWaalsContact N-O 3.16Å; D804-H817 VanDerWaalsContact OD1-CB 3.28Å; D804-H817 WeakPolarHBondContact OD1-CB 3.47Å; D804-H817 IonicContact OD1-CE1 2.85Å; D804-H817 IonicContact OD1-CG 3.85Å; D804-H817 IonicContact OD1-ND1 3.79Å; D804-H817 PolarHBondContact OD1-ND1 2.97Å; D804-H817 VanDerWaalsContact OD1-O 3.08Å; D804-H817 IonicContact OD2-CE1 2.74Å; D804-H817 IonicContact OD2-ND1 2.97Å; D804-H817 PolarHBondContact OD2-ND1 2.74Å; E805-H817 HydrophobicContact CB-CB 4.16Å; E805-H817 PolarHBondContact O-N 3.37Å; H817-Y830 CarbonylContact C-O 3.51Å; H817-Y830 WeakPolarHBondContact CA-O 3.47Å; H817-Y831 HydrophobicContact CB-CD1 3.76Å; H817-Y831 HydrophobicContact CB-CE1 3.63Å; H817-Y831 AromaticContact CD2-CD1 3.93Å; H817-Y831 AromaticContact CD2-CE1 3.91Å; H817-Y831 AromaticContact CD2-CE2 3.97Å; H817-Y831 AromaticContact CD2-CG 3.99Å; H817-Y831 AromaticContact CD2-CZ 3.92Å; H817-Y831 AromaticContact CG-CE1 3.95Å
818	V	98	Very high	96	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.5	-170.5	176.2	0	0	0	0	110.1	E821 P829 Y830 N832	V818-E821 HydrophobicContact CG1-CG 4.01Å; V818-P829 WeakPolarHBondContact O-CA 3.29Å; V818-P829 WeakPolarHBondContact O-CB 3.4Å; V818-Y830 HydrophobicContact CB-CD1 4.34Å; V818-Y830 HydrophobicContact CB-CE1 3.94Å; V818-Y830 HydrophobicContact CB-CE2 4.34Å; V818-Y830 HydrophobicContact CG1-CE1 3.94Å; V818-Y830 HydrophobicContact CG2-CE2 4.32Å; V818-Y830 PolarHBondContact N-O 3.41Å; V818-Y830 PolarHBondContact O-N 3.4Å; V818-N832 HydrophobicContact CG2-CB 3.98Å
819	I	97.7	Very high	95.9	Very high	64 Å²	64	59.7 Å²	59.7	33%	0.328	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-17.1	179.8	60.9	163.7	0	0	0	113.4	T802 D804 P825 V826 P829	T802-I819 WeakPolarHBondContact O-CG1 3.41Å; T802-I819 PolarHBondContact O-N 3.45Å; D804-I819 HydrophobicContact CB-CD1 4.34Å; D804-I819 HydrophobicContact CB-CG2 4.12Å; I819-P825 WeakPolarHBondContact O-CA 3.46Å; I819-V826 PolarHBondContact O-N 3.26Å; I819-P829 HydrophobicContact CG2-CB 4.2Å; I819-P829 HydrophobicContact CG2-CG 4.4Å
820	A	96.8	Very high	95.9	Very high	9 Å²	9	63.6 Å²	63.6	7%	0.074	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.1	173.3	0	0	0	0	0	110.6	S801 T802 E824	S801-A820 CarbonylContact C-O 3.57Å; S801-A820 VanDerWaalsContact CA-O 3.3Å; S801-A820 WeakPolarHBondContact CA-O 3.37Å; T802-A820 PolarHBondContact N-O 2.72Å; T802-A820 PolarHBondContact O-N 2.71Å; T802-A820 VanDerWaalsContact OG1-CB 3.24Å; T802-A820 WeakPolarHBondContact OG1-CB 3.12Å; A820-E824 CarbonylContact C-O 3.54Å; A820-E824 WeakPolarHBondContact CA-O 3.35Å; A820-E824 VanDerWaalsContact CB-O 3.29Å; A820-E824 WeakPolarHBondContact CB-O 3.17Å
821	E	95	Very high	96.1	Very high	84 Å²	84	61.7 Å²	61.7	39%	0.393	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.3	175.4	-71	-177.5	173.7	0	0	109.3	E800 V818 L823 E824 V826 Y830	E800-E821 WeakPolarHBondContact O-CA 3.33Å; V818-E821 HydrophobicContact CG1-CG 4.01Å; E821-L823 PolarHBondContact O-N 2.64Å; E821-E824 PolarHBondContact N-O 3.21Å; E821-E824 PolarHBondContact O-N 3.19Å; E821-V826 HydrophobicContact CB-CG1 4.21Å; E821-V826 HydrophobicContact CG-CG1 3.78Å; E821-Y830 WeakPolarHBondContact OE1-CE1 3.37Å; E821-Y830 PolarHBondContact OE1-OH 3.07Å
822	E	91.4	Very high	96.1	Very high	108 Å²	108	60.7 Å²	60.7	51%	0.505	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	32.8	-172.4	-63.4	-168.3	-151.5	0	0	113.3	N791 L799 E800 E824	N791-E822 PolarHBondContact ND2-OE2 3.28Å; N791-E822 VanDerWaalsContact ND2-OE2 3.16Å; L799-E822 WeakPolarHBondContact O-CA 3.28Å; L799-E822 PolarHBondContact O-N 2.91Å; E800-E822 PolarHBondContact O-N 3.31Å; E822-E824 PolarHBondContact O-N 3.06Å
823	L	91.5	Very high	96.2	Very high	88 Å²	88	56.9 Å²	56.9	46%	0.461	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	5.5	-173.8	-50.5	178	0	0	0	116.2	P781 L799 T802 E821	P781-L823 HydrophobicContact CB-CD2 3.88Å; P781-L823 HydrophobicContact CG-CD2 3.55Å; L799-L823 HydrophobicContact CB-CD2 4.25Å; L799-L823 HydrophobicContact CB-CG 4.46Å; L799-L823 HydrophobicContact CD1-CD1 4.09Å; L799-L823 HydrophobicContact CD1-CD2 3.93Å; L799-L823 HydrophobicContact CD1-CG 4.24Å; T802-L823 HydrophobicContact CG2-CD2 4.34Å; E821-L823 PolarHBondContact O-N 2.64Å
824	E	94.8	Very high	96.2	Very high	140 Å²	140	60.6 Å²	60.6	65%	0.654	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.7	174.2	-64	-61.7	151.9	0	0	110	A820 E821 E822 V826	A820-E824 CarbonylContact C-O 3.54Å; A820-E824 WeakPolarHBondContact CA-O 3.35Å; A820-E824 VanDerWaalsContact CB-O 3.29Å; A820-E824 WeakPolarHBondContact CB-O 3.17Å; E821-E824 PolarHBondContact N-O 3.21Å; E821-E824 PolarHBondContact O-N 3.19Å; E822-E824 PolarHBondContact O-N 3.06Å; E824-V826 PolarHBondContact O-N 3.01Å
825	P	96.1	Very high	96.1	Very high	105 Å²	105	60 Å²	60	68%	0.682	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.2	134.4	177.8	-26.1	34.5	0	0	0	112	I819	I819-P825 WeakPolarHBondContact O-CA 3.46Å
826	V	95.7	Very high	95.9	Very high	29 Å²	29	62.2 Å²	62.2	18%	0.176	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.1	172.6	-62.1	0	0	0	0	109.8	I819 E821 E824 A828 P829	I819-V826 PolarHBondContact O-N 3.26Å; E821-V826 HydrophobicContact CB-CG1 4.21Å; E821-V826 HydrophobicContact CG-CG1 3.78Å; E824-V826 PolarHBondContact O-N 3.01Å; V826-A828 VanDerWaalsContact C-N 3.26Å; V826-A828 PolarHBondContact O-N 3.23Å; V826-P829 HydrophobicContact CG2-CG 4.36Å
827	E	95.2	Very high	95.7	Very high	206 Å²	206	65 Å²	65	96%	0.963	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	-35.8	179.7	-66.6	-175.2	168.5	0	0	112.3
828	A	94.6	Very high	95.5	Very high	71 Å²	71	64 Å²	64	59%	0.587	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	103.7	177	0	0	0	0	0	109.4	V826	V826-A828 VanDerWaalsContact C-N 3.26Å; V826-A828 PolarHBondContact O-N 3.23Å
829	P	95.9	Very high	95.4	Very high	67 Å²	67	66 Å²	66	44%	0.435	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	143.6	171.3	-28.8	36.9	0	0	0	112.1	V818 I819 V826	V818-P829 WeakPolarHBondContact O-CA 3.29Å; V818-P829 WeakPolarHBondContact O-CB 3.4Å; I819-P829 HydrophobicContact CG2-CB 4.2Å; I819-P829 HydrophobicContact CG2-CG 4.4Å; V826-P829 HydrophobicContact CG2-CG 4.36Å
830	Y	96.5	Very high	95.1	Very high	89 Å²	89	69.9 Å²	69.9	35%	0.349	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.5	-172	70.8	-90.6	0	0	0	113.1	H817 V818 E821 N832	H817-Y830 CarbonylContact C-O 3.51Å; H817-Y830 WeakPolarHBondContact CA-O 3.47Å; V818-Y830 HydrophobicContact CB-CD1 4.34Å; V818-Y830 HydrophobicContact CB-CE1 3.94Å; V818-Y830 HydrophobicContact CB-CE2 4.34Å; V818-Y830 HydrophobicContact CG1-CE1 3.94Å; V818-Y830 HydrophobicContact CG2-CE2 4.32Å; V818-Y830 PolarHBondContact N-O 3.41Å; V818-Y830 PolarHBondContact O-N 3.4Å; E821-Y830 WeakPolarHBondContact OE1-CE1 3.37Å; E821-Y830 PolarHBondContact OE1-OH 3.07Å; Y830-N832 HydrophobicContact CE2-CB 4Å
831	Y	97.5	Very high	94.9	Very high	44 Å²	44	72.4 Å²	72.4	17%	0.173	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.4	174.4	-73.2	-73.4	0	0	0	112.2	I815 E816 H817 V833 L847 V850 N851 V883	I815-Y831 HydrophobicContact CG2-CD1 3.61Å; I815-Y831 HydrophobicContact CG2-CE1 4.44Å; I815-Y831 HydrophobicContact CG2-CG 4.33Å; E816-Y831 CarbonylContact O-C 3.3Å; H817-Y831 HydrophobicContact CB-CD1 3.76Å; H817-Y831 HydrophobicContact CB-CE1 3.63Å; H817-Y831 AromaticContact CD2-CD1 3.93Å; H817-Y831 AromaticContact CD2-CE1 3.91Å; H817-Y831 AromaticContact CD2-CE2 3.97Å; H817-Y831 AromaticContact CD2-CG 3.99Å; H817-Y831 AromaticContact CD2-CZ 3.92Å; H817-Y831 AromaticContact CG-CE1 3.95Å; Y831-V833 PolarHBondContact O-N 3.43Å; Y831-L847 VanDerWaalsContact CB-CD2 3.46Å; Y831-L847 HydrophobicContact CD2-CD2 4.05Å; Y831-L847 HydrophobicContact CG-CD2 3.94Å; Y831-V850 HydrophobicContact CE2-CG1 4.01Å; Y831-N851 WeakPolarHBondContact CE2-OD1 3.47Å; Y831-V883 HydrophobicContact CE1-CG1 4.46Å; Y831-V883 HydrophobicContact CE1-CG2 3.83Å
832	N	96.7	Very high	95	Very high	26 Å²	26	68.4 Å²	68.4	14%	0.139	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	95.1	172.8	-173.4	12.1	0	0	0	110.7	E816 V818 Y830 K834	E816-N832 PolarHBondContact N-O 3.02Å; E816-N832 PolarHBondContact O-N 3.31Å; V818-N832 HydrophobicContact CG2-CB 3.98Å; Y830-N832 HydrophobicContact CE2-CB 4Å; N832-K834 WeakPolarHBondContact OD1-CE 3.48Å; N832-K834 PolarHBondContact OD1-NZ 3.4Å
833	V	97.4	Very high	95.3	Very high	9 Å²	9	65.6 Å²	65.6	6%	0.055	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	112.8	-178.9	-176.4	0	0	0	0	111.3	I815 Y831 K843 L847 F886	I815-V833 HydrophobicContact CD1-CG1 4.48Å; I815-V833 HydrophobicContact CD1-CG2 4.13Å; I815-V833 HydrophobicContact CG1-CB 4.46Å; I815-V833 HydrophobicContact CG1-CG1 4.21Å; I815-V833 HydrophobicContact CG1-CG2 4.09Å; I815-V833 HydrophobicContact CG2-CG2 4.33Å; Y831-V833 PolarHBondContact O-N 3.43Å; V833-K843 HydrophobicContact CB-CB 4.37Å; V833-K843 HydrophobicContact CB-CD 4.18Å; V833-K843 HydrophobicContact CB-CG 4.26Å; V833-K843 HydrophobicContact CG1-CB 4.34Å; V833-K843 HydrophobicContact CG1-CD 4.15Å; V833-K843 HydrophobicContact CG1-CG 3.89Å; V833-K843 WeakPolarHBondContact O-CE 3.46Å; V833-K843 PolarHBondContact O-NZ 3.3Å; V833-L847 HydrophobicContact CG2-CD1 3.98Å; V833-L847 HydrophobicContact CG2-CD2 3.78Å; V833-L847 HydrophobicContact CG2-CG 3.98Å; V833-F886 HydrophobicContact CG1-CE1 4.46Å; V833-F886 HydrophobicContact CG1-CE2 3.87Å; V833-F886 HydrophobicContact CG1-CZ 3.62Å
834	K	97	Very high	95.5	Very high	78 Å²	78	63.8 Å²	63.8	34%	0.339	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.5	174	-58.1	-60.5	-164.4	-163.1	0	109.6	T813 Y814 N832	T813-K834 CarbonylContact C-O 3.52Å; T813-K834 WeakPolarHBondContact CA-O 3.34Å; Y814-K834 HydrophobicContact CD1-CB 4.05Å; Y814-K834 HydrophobicContact CD2-CB 4.21Å; Y814-K834 HydrophobicContact CD2-CG 4.22Å; Y814-K834 HydrophobicContact CE1-CB 3.74Å; Y814-K834 HydrophobicContact CE1-CG 4.02Å; Y814-K834 HydrophobicContact CE2-CB 3.92Å; Y814-K834 HydrophobicContact CE2-CG 3.52Å; Y814-K834 HydrophobicContact CG-CB 4.28Å; Y814-K834 VanDerWaalsContact CZ-CG 3.42Å; Y814-K834 PolarHBondContact N-O 3.03Å; Y814-K834 PolarHBondContact O-N 3.28Å; Y814-K834 VanDerWaalsContact O-O 3.04Å; N832-K834 WeakPolarHBondContact OD1-CE 3.48Å; N832-K834 PolarHBondContact OD1-NZ 3.4Å
835	C	96.9	Very high	95.6	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.061	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	113.1	176.4	-170.7	0	0	0	0	111	K812 T813 G837 M838 F886 Y912	K812-C835 CarbonylContact O-C 3.59Å; K812-C835 VanDerWaalsContact O-CA 3.23Å; K812-C835 WeakPolarHBondContact O-CA 3.49Å; T813-C835 HydrophobicContact CG2-CB 4.31Å; C835-G837 PolarHBondContact O-N 3.45Å; C835-M838 HydrophobicContact CB-CB 3.77Å; C835-M838 HydrophobicContact CB-CE 4.27Å; C835-M838 HydrophobicContact CB-SD 4.01Å; C835-M838 WeakPolarHBondContact O-CB 3.37Å; C835-M838 PolarHBondContact O-N 2.93Å; C835-M838 VanDerWaalsContact O-N 3.11Å; C835-F886 HydrophobicContact CB-CE1 4.46Å; C835-F886 HydrophobicContact CB-CZ 3.79Å; C835-Y912 PolarHBondContact SG-OH 3.13Å
836	A	93.4	Very high	95.7	Very high	48 Å²	48	52.1 Å²	52.1	40%	0.397	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	124.1	-178.3	0	0	0	0	0	111.4	K812 M838 Y912	K812-A836 HydrophobicContact CB-CB 3.83Å; K812-A836 HydrophobicContact CD-CB 4.33Å; K812-A836 PolarHBondContact O-N 3.32Å; A836-M838 VanDerWaalsContact C-N 3.3Å; A836-M838 PolarHBondContact O-N 2.98Å; A836-Y912 PolarHBondContact O-OH 3.05Å
837	G	92.5	Very high	95.7	Very high	59 Å²	59	52.1 Å²	52.1	61%	0.608	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-1.6	179.6	0	0	0	0	0	115.5	C835 P839 Y912	C835-G837 PolarHBondContact O-N 3.45Å; G837-P839 WeakPolarHBondContact O-CD 3.19Å; G837-Y912 VanDerWaalsContact O-CD2 3.25Å; G837-Y912 WeakPolarHBondContact O-CD2 3.4Å; G837-Y912 VanDerWaalsContact O-CE2 3.25Å; G837-Y912 WeakPolarHBondContact O-CE2 3.35Å
838	M	95.6	Very high	95.8	Very high	11 Å²	11	43.8 Å²	43.8	5%	0.054	25%	0.246	C	C	.	.			trans	-87.2	115.6	173.9	-173.1	-177.6	-80.9	0	0	109.8	C835 A836 C842 K843 F886 I892 Y912 M914	C835-M838 HydrophobicContact CB-CB 3.77Å; C835-M838 HydrophobicContact CB-CE 4.27Å; C835-M838 HydrophobicContact CB-SD 4.01Å; C835-M838 WeakPolarHBondContact O-CB 3.37Å; C835-M838 PolarHBondContact O-N 2.93Å; C835-M838 VanDerWaalsContact O-N 3.11Å; A836-M838 VanDerWaalsContact C-N 3.3Å; A836-M838 PolarHBondContact O-N 2.98Å; M838-C842 HydrophobicContact CG-CB 3.67Å; M838-C842 HydrophobicContact SD-CB 4.42Å; M838-K843 HydrophobicContact CG-CG 3.95Å; M838-K843 WeakPolarHBondContact O-CE 3.5Å; M838-K843 HydrophobicContact SD-CG 3.65Å; M838-F886 HydrophobicContact CE-CE2 3.72Å; M838-F886 HydrophobicContact CE-CZ 4.13Å; M838-F886 HydrophobicContact SD-CE2 4Å; M838-F886 HydrophobicContact SD-CZ 4.3Å; M838-I892 HydrophobicContact CE-CD1 4.43Å; M838-Y912 HydrophobicContact CB-CD1 4.29Å; M838-Y912 HydrophobicContact CB-CD2 4.1Å; M838-Y912 HydrophobicContact CB-CE1 4.06Å; M838-Y912 HydrophobicContact CB-CE2 3.85Å; M838-Y912 HydrophobicContact CB-CG 4.31Å; M838-Y912 HydrophobicContact CE-CD1 3.49Å; M838-Y912 VanDerWaalsContact CE-CD1 3.49Å; M838-Y912 HydrophobicContact CE-CE1 3.3Å; M838-Y912 HydrophobicContact CE-CG 4.49Å; M838-Y912 HydrophobicContact CG-CD1 4.1Å; M838-Y912 HydrophobicContact CG-CD2 4.48Å; M838-Y912 HydrophobicContact CG-CE1 4.25Å; M838-Y912 HydrophobicContact CG-CG 4.22Å; M838-M914 HydrophobicContact CE-CE 4.28Å
839	P	94.1	Very high	95.9	Very high	42 Å²	42	40.4 Å²	40.4	27%	0.273	22%	0.219	S	C	.	.			trans	-61.3	162.2	176.3	-23.2	34.6	0	0	0	113.4	G837 Q841 C842 K843 K895	G837-P839 WeakPolarHBondContact O-CD 3.19Å; P839-Q841 PolarHBondContact O-N 2.58Å; P839-C842 PolarHBondContact O-N 3.41Å; P839-K843 WeakPolarHBondContact O-CG 3.42Å; P839-K843 PolarHBondContact O-N 3.23Å; P839-K895 HydrophobicContact CG-CB 4.02Å; P839-K895 HydrophobicContact CG-CG 3.92Å
840	K	92.9	Very high	95.9	Very high	145 Å²	145	38.6 Å²	38.6	63%	0.63	21%	0.206	S	C	*	.	H	α-helix	trans	-57.5	-47.4	177.3	-169.2	-168.6	177.3	-63.4	0	111.4	C842 K843 D844	K840-C842 VanDerWaalsContact C-N 3.32Å; K840-C842 PolarHBondContact O-N 2.66Å; K840-K843 WeakPolarHBondContact O-CA 3.4Å; K840-K843 WeakPolarHBondContact O-CB 3.34Å; K840-K843 PolarHBondContact O-N 3.07Å; K840-D844 IonicContact NZ-OD1 3.94Å; K840-D844 PolarHBondContact NZ-OD1 2.92Å; K840-D844 IonicContact NZ-OD2 2.82Å; K840-D844 PolarHBondContact NZ-OD2 3.31Å; K840-D844 VanDerWaalsContact O-CG 3.31Å; K840-D844 PolarHBondContact O-N 2.89Å
841	Q	93.1	Very high	95.8	Very high	63 Å²	63	39.6 Å²	39.6	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-52.7	-46.8	178.6	-172.5	65	9.3	0	0	112.9	P839 K843 D844 L845 H861 E865	P839-Q841 PolarHBondContact O-N 2.58Å; Q841-K843 VanDerWaalsContact C-N 3.29Å; Q841-K843 PolarHBondContact O-N 3.42Å; Q841-D844 PolarHBondContact O-N 3.22Å; Q841-L845 HydrophobicContact CG-CD1 4.24Å; Q841-L845 WeakPolarHBondContact O-CG 3.41Å; Q841-L845 PolarHBondContact O-N 2.92Å; Q841-H861 PolarHBondContact NE2-CE1 2.97Å; Q841-H861 PolarHBondContact NE2-ND1 2.74Å; Q841-E865 WeakPolarHBondContact CG-OE1 3.47Å; Q841-E865 PolarHBondContact NE2-OE1 3.16Å
842	C	96.3	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-34.9	176.6	-56.9	0	0	0	0	112.8	M838 P839 K840 F846 I892 P893	M838-C842 HydrophobicContact CG-CB 3.67Å; M838-C842 HydrophobicContact SD-CB 4.42Å; P839-C842 PolarHBondContact O-N 3.41Å; K840-C842 VanDerWaalsContact C-N 3.32Å; K840-C842 PolarHBondContact O-N 2.66Å; C842-F846 WeakPolarHBondContact O-CB 3.42Å; C842-F846 PolarHBondContact O-N 3.47Å; C842-F846 VanDerWaalsContact O-N 3.1Å; C842-I892 HydrophobicContact CB-CB 4.25Å; C842-I892 HydrophobicContact CB-CG2 4.07Å; C842-P893 PolarHBondContact SG-O 3.47Å
843	K	97.1	Very high	95.6	Very high	49 Å²	49	39.4 Å²	39.4	21%	0.213	23%	0.23	C	C	.	.	H	α-helix	trans	-70.7	-42.6	176.7	-61.9	174.2	-177.4	-169.7	0	111.1	V833 M838 P839 K840 Q841 F846 L847	V833-K843 HydrophobicContact CB-CB 4.37Å; V833-K843 HydrophobicContact CB-CD 4.18Å; V833-K843 HydrophobicContact CB-CG 4.26Å; V833-K843 HydrophobicContact CG1-CB 4.34Å; V833-K843 HydrophobicContact CG1-CD 4.15Å; V833-K843 HydrophobicContact CG1-CG 3.89Å; V833-K843 WeakPolarHBondContact O-CE 3.46Å; V833-K843 PolarHBondContact O-NZ 3.3Å; M838-K843 HydrophobicContact CG-CG 3.95Å; M838-K843 WeakPolarHBondContact O-CE 3.5Å; M838-K843 HydrophobicContact SD-CG 3.65Å; P839-K843 WeakPolarHBondContact O-CG 3.42Å; P839-K843 PolarHBondContact O-N 3.23Å; K840-K843 WeakPolarHBondContact O-CA 3.4Å; K840-K843 WeakPolarHBondContact O-CB 3.34Å; K840-K843 PolarHBondContact O-N 3.07Å; Q841-K843 VanDerWaalsContact C-N 3.29Å; Q841-K843 PolarHBondContact O-N 3.42Å; K843-F846 WeakPolarHBondContact O-CB 3.34Å; K843-F846 PolarHBondContact O-N 3.12Å; K843-L847 WeakPolarHBondContact O-CG 3.22Å; K843-L847 PolarHBondContact O-N 3.41Å
844	D	95.9	Very high	95.4	Very high	49 Å²	49	42 Å²	42	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-62.4	-47.5	178.7	-59.5	-27.9	0	0	0	110	K840 Q841 F846 L847 M848	K840-D844 IonicContact NZ-OD1 3.94Å; K840-D844 PolarHBondContact NZ-OD1 2.92Å; K840-D844 IonicContact NZ-OD2 2.82Å; K840-D844 PolarHBondContact NZ-OD2 3.31Å; K840-D844 VanDerWaalsContact O-CG 3.31Å; K840-D844 PolarHBondContact O-N 2.89Å; Q841-D844 PolarHBondContact O-N 3.22Å; D844-F846 VanDerWaalsContact C-N 3.34Å; D844-F846 PolarHBondContact O-N 3.23Å; D844-L847 CarbonylContact O-C 3.15Å; D844-L847 PolarHBondContact O-N 2.93Å; D844-L847 VanDerWaalsContact O-N 3.09Å; D844-M848 WeakPolarHBondContact O-CG 3.31Å; D844-M848 PolarHBondContact O-N 3.07Å
845	L	97	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-42.2	174.8	-71.6	168.2	0	0	0	112.6	Q841 M848 T849 E865 F868 L869 I892 P893	Q841-L845 HydrophobicContact CG-CD1 4.24Å; Q841-L845 WeakPolarHBondContact O-CG 3.41Å; Q841-L845 PolarHBondContact O-N 2.92Å; L845-M848 HydrophobicContact CD2-SD 4.23Å; L845-M848 PolarHBondContact O-N 3.5Å; L845-T849 PolarHBondContact O-N 3.4Å; L845-E865 HydrophobicContact CD1-CB 4.09Å; L845-E865 HydrophobicContact CD1-CG 3.67Å; L845-E865 HydrophobicContact CD2-CB 4.09Å; L845-E865 HydrophobicContact CD2-CG 4.48Å; L845-F868 HydrophobicContact CB-CD1 4.25Å; L845-F868 HydrophobicContact CB-CE1 4.23Å; L845-L869 HydrophobicContact CD2-CD1 4.16Å; L845-L869 HydrophobicContact CD2-CD2 4.03Å; L845-L869 HydrophobicContact CD2-CG 4.12Å; L845-I892 HydrophobicContact CB-CG2 4Å; L845-I892 HydrophobicContact CD1-CG2 4.21Å; L845-P893 HydrophobicContact CD1-CG 4.26Å
846	F	97.5	Very high	95	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-49.4	173.5	-179.6	-104.1	0	0	0	111	I815 C842 K843 D844 M848 T849 V850 L881 F886 L890 I892	I815-F846 HydrophobicContact CD1-CD1 4.21Å; I815-F846 HydrophobicContact CD1-CE1 3.48Å; I815-F846 VanDerWaalsContact CD1-CE1 3.48Å; I815-F846 HydrophobicContact CD1-CZ 4.23Å; C842-F846 WeakPolarHBondContact O-CB 3.42Å; C842-F846 PolarHBondContact O-N 3.47Å; C842-F846 VanDerWaalsContact O-N 3.1Å; K843-F846 WeakPolarHBondContact O-CB 3.34Å; K843-F846 PolarHBondContact O-N 3.12Å; D844-F846 VanDerWaalsContact C-N 3.34Å; D844-F846 PolarHBondContact O-N 3.23Å; F846-M848 VanDerWaalsContact C-N 3.31Å; F846-M848 PolarHBondContact O-N 3.29Å; F846-T849 PolarHBondContact O-N 2.85Å; F846-T849 VanDerWaalsContact O-N 3.09Å; F846-T849 PolarHBondContact O-OG1 2.72Å; F846-V850 HydrophobicContact CD1-CG2 4.14Å; F846-V850 HydrophobicContact CE1-CG2 3.61Å; F846-V850 HydrophobicContact CE2-CG2 4.3Å; F846-V850 HydrophobicContact CZ-CG2 3.69Å; F846-V850 PolarHBondContact O-N 3.3Å; F846-L881 HydrophobicContact CD2-CD1 4.14Å; F846-L881 HydrophobicContact CE2-CB 4.45Å; F846-L881 HydrophobicContact CE2-CD1 3.99Å; F846-F886 HydrophobicContact CD1-CD2 4.04Å; F846-F886 HydrophobicContact CD1-CE2 4.49Å; F846-F886 HydrophobicContact CD2-CD2 4.29Å; F846-F886 HydrophobicContact CE1-CB 4.11Å; F846-F886 AromaticContact CE1-CD2 3.82Å; F846-F886 HydrophobicContact CE1-CD2 3.82Å; F846-F886 HydrophobicContact CE1-CG 4.32Å; F846-F886 HydrophobicContact CE2-CB 4.23Å; F846-F886 HydrophobicContact CE2-CD2 4.07Å; F846-F886 HydrophobicContact CG-CD2 4.28Å; F846-F886 HydrophobicContact CZ-CB 3.63Å; F846-F886 AromaticContact CZ-CD2 3.85Å; F846-F886 HydrophobicContact CZ-CD2 3.85Å; F846-F886 HydrophobicContact CZ-CG 4.2Å; F846-L890 HydrophobicContact CD2-CD2 3.78Å; F846-L890 HydrophobicContact CE2-CD2 3.81Å; F846-I892 HydrophobicContact CB-CD1 3.7Å; F846-I892 HydrophobicContact CD2-CD1 4.08Å; F846-I892 HydrophobicContact CG-CD1 4.26Å
847	L	97.1	Very high	94.9	Very high	29 Å²	29	50.2 Å²	50.2	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-31.8	-178.4	-70.1	178.7	0	0	0	112.9	Y831 V833 K843 D844 T849 V850 N851	Y831-L847 VanDerWaalsContact CB-CD2 3.46Å; Y831-L847 HydrophobicContact CD2-CD2 4.05Å; Y831-L847 HydrophobicContact CG-CD2 3.94Å; V833-L847 HydrophobicContact CG2-CD1 3.98Å; V833-L847 HydrophobicContact CG2-CD2 3.78Å; V833-L847 HydrophobicContact CG2-CG 3.98Å; K843-L847 WeakPolarHBondContact O-CG 3.22Å; K843-L847 PolarHBondContact O-N 3.41Å; D844-L847 CarbonylContact O-C 3.15Å; D844-L847 PolarHBondContact O-N 2.93Å; D844-L847 VanDerWaalsContact O-N 3.09Å; L847-T849 VanDerWaalsContact C-N 3.32Å; L847-T849 PolarHBondContact O-N 2.77Å; L847-V850 PolarHBondContact O-N 2.98Å; L847-V850 VanDerWaalsContact O-N 3.13Å; L847-N851 WeakPolarHBondContact O-CB 3.5Å; L847-N851 PolarHBondContact O-N 3.42Å; L847-N851 PolarHBondContact O-ND2 3.23Å
848	M	96.8	Very high	94.8	Very high	30 Å²	30	47.4 Å²	47.4	15%	0.148	25%	0.25	C	S	.	.	H	α-helix	trans	-57.3	-46.5	170.1	-71.3	172.5	74.2	0	0	110.8	D844 L845 F846 V850 N851 G852 F853 E857 H861 L869	D844-M848 WeakPolarHBondContact O-CG 3.31Å; D844-M848 PolarHBondContact O-N 3.07Å; L845-M848 HydrophobicContact CD2-SD 4.23Å; L845-M848 PolarHBondContact O-N 3.5Å; F846-M848 VanDerWaalsContact C-N 3.31Å; F846-M848 PolarHBondContact O-N 3.29Å; M848-V850 PolarHBondContact O-N 3.35Å; M848-N851 PolarHBondContact O-N 3.08Å; M848-G852 CarbonylContact O-C 3.58Å; M848-G852 VanDerWaalsContact O-C 3.27Å; M848-G852 VanDerWaalsContact O-CA 3.3Å; M848-G852 WeakPolarHBondContact O-CA 3.21Å; M848-G852 PolarHBondContact O-N 3.36Å; M848-F853 HydrophobicContact CB-CB 4.17Å; M848-F853 HydrophobicContact CB-CD1 4.1Å; M848-F853 HydrophobicContact CB-CG 4.37Å; M848-F853 HydrophobicContact CE-CB 3.76Å; M848-F853 HydrophobicContact CE-CD2 4.36Å; M848-F853 HydrophobicContact CE-CG 4.06Å; M848-E857 HydrophobicContact CE-CB 4.12Å; M848-H861 PolarHBondContact SD-NE2 2.73Å; M848-H861 VanDerWaalsContact SD-NE2 3.4Å; M848-L869 HydrophobicContact CB-CD2 3.93Å; M848-L869 HydrophobicContact CE-CD1 3.74Å; M848-L869 HydrophobicContact CE-CD2 4.11Å; M848-L869 HydrophobicContact SD-CD1 4.43Å; M848-L869 HydrophobicContact SD-CD2 4.19Å
849	T	97	Very high	94.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-20.5	178	66.8	0	0	0	0	113.7	L845 F846 L847 F868 L869 R879 S880 L881	L845-T849 PolarHBondContact O-N 3.4Å; F846-T849 PolarHBondContact O-N 2.85Å; F846-T849 VanDerWaalsContact O-N 3.09Å; F846-T849 PolarHBondContact O-OG1 2.72Å; L847-T849 VanDerWaalsContact C-N 3.32Å; L847-T849 PolarHBondContact O-N 2.77Å; T849-F868 HydrophobicContact CG2-CD1 4.29Å; T849-F868 HydrophobicContact CG2-CE1 3.66Å; T849-F868 HydrophobicContact CG2-CZ 4.31Å; T849-L869 HydrophobicContact CG2-CD2 4.01Å; T849-R879 WeakPolarHBondContact CB-O 3.34Å; T849-R879 HydrophobicContact CG2-CB 4.16Å; T849-R879 HydrophobicContact CG2-CG 4.22Å; T849-S880 CarbonylContact O-C 3.48Å; T849-S880 WeakPolarHBondContact O-CA 3.11Å; T849-L881 PolarHBondContact O-N 3.25Å; T849-L881 WeakPolarHBondContact OG1-CD1 3.48Å
850	V	96	Very high	94.2	Very high	29 Å²	29	55.6 Å²	55.6	18%	0.176	30%	0.3	C	S	.	.	H	α-helix	trans	-86.8	-44.3	177	174.9	0	0	0	0	111.9	Y831 F846 L847 M848 L881	Y831-V850 HydrophobicContact CE2-CG1 4.01Å; F846-V850 HydrophobicContact CD1-CG2 4.14Å; F846-V850 HydrophobicContact CE1-CG2 3.61Å; F846-V850 HydrophobicContact CE2-CG2 4.3Å; F846-V850 HydrophobicContact CZ-CG2 3.69Å; F846-V850 PolarHBondContact O-N 3.3Å; L847-V850 PolarHBondContact O-N 2.98Å; L847-V850 VanDerWaalsContact O-N 3.13Å; M848-V850 PolarHBondContact O-N 3.35Å; V850-L881 WeakPolarHBondContact CA-O 3.02Å; V850-L881 HydrophobicContact CG2-CB 4.46Å
851	N	94.7	Very high	94	Very high	109 Å²	109	50.4 Å²	50.4	58%	0.583	28%	0.278	S	S	*	.	H	α-helix	trans	-85.2	-16.1	-176.2	-65.2	-27.1	0	0	0	113.1	Y831 L847 M848	Y831-N851 WeakPolarHBondContact CE2-OD1 3.47Å; L847-N851 WeakPolarHBondContact O-CB 3.5Å; L847-N851 PolarHBondContact O-N 3.42Å; L847-N851 PolarHBondContact O-ND2 3.23Å; M848-N851 PolarHBondContact O-N 3.08Å
852	G	93.9	Very high	93.7	Very high	49 Å²	49	50.3 Å²	50.3	51%	0.505	28%	0.282	S	S	.	.			trans	84.6	157.7	-163.4	0	0	0	0	0	111.5	M848	M848-G852 CarbonylContact O-C 3.58Å; M848-G852 VanDerWaalsContact O-C 3.27Å; M848-G852 VanDerWaalsContact O-CA 3.3Å; M848-G852 WeakPolarHBondContact O-CA 3.21Å; M848-G852 PolarHBondContact O-N 3.36Å
853	F	95.3	Very high	93.2	Very high	18 Å²	18	57.4 Å²	57.4	8%	0.079	32%	0.315	C	S	.	.			trans	-150.2	162.7	179.6	60.4	-86.7	0	0	0	110.1	M848 E857 A858 L869 H878	M848-F853 HydrophobicContact CB-CB 4.17Å; M848-F853 HydrophobicContact CB-CD1 4.1Å; M848-F853 HydrophobicContact CB-CG 4.37Å; M848-F853 HydrophobicContact CE-CB 3.76Å; M848-F853 HydrophobicContact CE-CD2 4.36Å; M848-F853 HydrophobicContact CE-CG 4.06Å; F853-E857 WeakPolarHBondContact CA-OE2 3.29Å; F853-E857 WeakPolarHBondContact CB-OE2 3.36Å; F853-A858 HydrophobicContact CD2-CB 3.89Å; F853-A858 HydrophobicContact CE2-CB 3.81Å; F853-L869 HydrophobicContact CD1-CD2 4.33Å; F853-L869 HydrophobicContact CE1-CB 4.28Å; F853-L869 HydrophobicContact CE1-CD2 4.15Å; F853-L869 HydrophobicContact CE2-CB 4.03Å; F853-L869 HydrophobicContact CZ-CB 3.73Å; F853-L869 HydrophobicContact CZ-CD2 4.39Å; F853-L869 WeakPolarHBondContact CZ-O 3.37Å; F853-H878 HydrophobicContact CE1-CB 4.11Å; F853-H878 AromaticContact CE2-CD2 3.78Å; F853-H878 AromaticContact CE2-CG 3.92Å; F853-H878 AromaticContact CE2-NE2 3.87Å; F853-H878 HydrophobicContact CZ-CB 3.77Å; F853-H878 AromaticContact CZ-CD2 3.84Å; F853-H878 AromaticContact CZ-CG 3.66Å; F853-H878 PolarHBondContact O-CE1 2.77Å; F853-H878 PolarHBondContact O-ND1 2.87Å
854	T	94	Very high	92.8	Very high	63 Å²	63	59.4 Å²	59.4	39%	0.387	33%	0.326	S	S	.	.			trans	-96.1	160.4	173.7	85.3	0	0	0	0	111.9	E856 E857 A858	T854-E856 WeakPolarHBondContact CB-OE2 3.29Å; T854-E856 PolarHBondContact O-N 2.79Å; T854-E856 PolarHBondContact OG1-N 3.46Å; T854-E856 PolarHBondContact OG1-OE2 2.91Å; T854-E857 PolarHBondContact N-OE2 3.22Å; T854-E857 WeakPolarHBondContact O-CB 3.21Å; T854-E857 PolarHBondContact O-N 3.34Å; T854-E857 VanDerWaalsContact O-N 3.15Å; T854-E857 PolarHBondContact OG1-N 2.66Å; T854-A858 PolarHBondContact O-N 2.82Å
855	D	91.9	Very high	92.6	Very high	68 Å²	68	57.7 Å²	57.7	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-30.9	176	-70.3	-32.4	0	0	0	111.8	A858 Q859 Y870 H878	D855-A858 PolarHBondContact O-N 3.06Å; D855-Q859 WeakPolarHBondContact O-CB 3.29Å; D855-Q859 WeakPolarHBondContact O-CG 3.43Å; D855-Q859 PolarHBondContact O-N 3.22Å; D855-Y870 PolarHBondContact OD1-OH 3.38Å; D855-H878 IonicContact OD1-CD2 3.25Å; D855-H878 IonicContact OD1-CE1 3.99Å; D855-H878 IonicContact OD1-NE2 2.77Å; D855-H878 PolarHBondContact OD1-NE2 2.84Å
856	E	91.9	Very high	92.4	Very high	137 Å²	137	59.6 Å²	59.6	64%	0.64	33%	0.325	S	S	*	.	H	α-helix	trans	-64.8	-41.4	173.4	-59.6	80	-172.6	0	0	112	T854 Q859	T854-E856 WeakPolarHBondContact CB-OE2 3.29Å; T854-E856 PolarHBondContact O-N 2.79Å; T854-E856 PolarHBondContact OG1-N 3.46Å; T854-E856 PolarHBondContact OG1-OE2 2.91Å; E856-Q859 PolarHBondContact O-N 3.17Å
857	E	91.9	Very high	92.2	Very high	103 Å²	103	62.3 Å²	62.3	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-63.7	-43.3	174.5	-67.1	174.9	140.7	0	0	110.7	M848 F853 T854 Q859 A860 H861	M848-E857 HydrophobicContact CE-CB 4.12Å; F853-E857 WeakPolarHBondContact CA-OE2 3.29Å; F853-E857 WeakPolarHBondContact CB-OE2 3.36Å; T854-E857 PolarHBondContact N-OE2 3.22Å; T854-E857 WeakPolarHBondContact O-CB 3.21Å; T854-E857 PolarHBondContact O-N 3.34Å; T854-E857 VanDerWaalsContact O-N 3.15Å; T854-E857 PolarHBondContact OG1-N 2.66Å; E857-Q859 PolarHBondContact O-N 3.08Å; E857-A860 WeakPolarHBondContact O-CB 3.46Å; E857-A860 PolarHBondContact O-N 2.8Å; E857-H861 PolarHBondContact O-CD2 3.15Å; E857-H861 VanDerWaalsContact O-CD2 3.22Å
858	A	90.8	Very high	92.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-37.6	178.3	0	0	0	0	0	113	F853 T854 D855 A860 H861 Q866 L869 Y870	F853-A858 HydrophobicContact CD2-CB 3.89Å; F853-A858 HydrophobicContact CE2-CB 3.81Å; T854-A858 PolarHBondContact O-N 2.82Å; D855-A858 PolarHBondContact O-N 3.06Å; A858-A860 PolarHBondContact O-N 3.12Å; A858-H861 WeakPolarHBondContact O-CB 3.36Å; A858-H861 PolarHBondContact O-N 3.38Å; A858-H861 VanDerWaalsContact O-N 3.09Å; A858-Q866 WeakPolarHBondContact O-CG 3.46Å; A858-L869 HydrophobicContact CB-CD1 3.87Å; A858-Y870 HydrophobicContact CB-CE2 3.85Å; A858-Y870 WeakPolarHBondContact CB-OH 2.81Å
859	Q	88.3	Confident	92.1	Very high	136 Å²	136	60.2 Å²	60.2	64%	0.636	34%	0.337	S	S	*	.	H	α-helix	trans	-65.3	-19.8	179.7	-77.5	168.9	30.4	0	0	113.7	D855 E856 E857 H861	D855-Q859 WeakPolarHBondContact O-CB 3.29Å; D855-Q859 WeakPolarHBondContact O-CG 3.43Å; D855-Q859 PolarHBondContact O-N 3.22Å; E856-Q859 PolarHBondContact O-N 3.17Å; E857-Q859 PolarHBondContact O-N 3.08Å; Q859-H861 PolarHBondContact O-N 3.44Å
860	A	88.1	Confident	92	Very high	89 Å²	89	60.6 Å²	60.6	74%	0.736	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.2	174.6	0	0	0	0	0	113.6	E857 A858	E857-A860 WeakPolarHBondContact O-CB 3.46Å; E857-A860 PolarHBondContact O-N 2.8Å; A858-A860 PolarHBondContact O-N 3.12Å
861	H	88.9	Confident	91.9	Very high	36 Å²	36	63 Å²	63	17%	0.167	35%	0.353	C	S	.	.	S	Bend	trans	-98.1	161.7	-177.8	-71.2	-77.7	0	0	0	113.3	Q841 M848 E857 A858 Q859 E865 Q866	Q841-H861 PolarHBondContact NE2-CE1 2.97Å; Q841-H861 PolarHBondContact NE2-ND1 2.74Å; M848-H861 PolarHBondContact SD-NE2 2.73Å; M848-H861 VanDerWaalsContact SD-NE2 3.4Å; E857-H861 PolarHBondContact O-CD2 3.15Å; E857-H861 VanDerWaalsContact O-CD2 3.22Å; A858-H861 WeakPolarHBondContact O-CB 3.36Å; A858-H861 PolarHBondContact O-N 3.38Å; A858-H861 VanDerWaalsContact O-N 3.09Å; Q859-H861 PolarHBondContact O-N 3.44Å; H861-E865 HydrophobicContact CB-CB 3.78Å; H861-E865 IonicContact CG-OE2 3.56Å; H861-E865 IonicContact ND1-OE2 2.59Å; H861-E865 PolarHBondContact ND1-OE2 2.9Å; H861-Q866 HydrophobicContact CB-CG 4.32Å; H861-Q866 PolarHBondContact O-NE2 3.02Å
862	T	86.5	Confident	91.7	Very high	61 Å²	61	59.3 Å²	59.3	37%	0.374	33%	0.333	S	S	.	.			trans	-66.5	160.1	177.3	63.6	0	0	0	0	112.2	M864 E865 Q866	T862-M864 PolarHBondContact O-N 2.82Å; T862-M864 VanDerWaalsContact O-N 3.12Å; T862-E865 PolarHBondContact N-OE2 2.88Å; T862-E865 PolarHBondContact O-N 2.88Å; T862-E865 WeakPolarHBondContact OG1-CB 3.32Å; T862-E865 VanDerWaalsContact OG1-CD 3.23Å; T862-E865 WeakPolarHBondContact OG1-CG 3.26Å; T862-E865 PolarHBondContact OG1-N 3.27Å; T862-E865 PolarHBondContact OG1-OE2 2.68Å; T862-Q866 WeakPolarHBondContact O-CG 3.33Å; T862-Q866 PolarHBondContact O-N 3.43Å
863	E	86.4	Confident	91.5	Very high	149 Å²	149	66 Å²	66	70%	0.696	35%	0.348	S	S	*	.	H	α-helix	trans	-51	-39.3	177.1	-66.7	176.8	168.6	0	0	112.9	K279 A867	K279-E863 IonicContact NZ-OE2 3.32Å; E863-A867 WeakPolarHBondContact O-CB 3.5Å; E863-A867 PolarHBondContact O-N 3.1Å
864	M	88.3	Confident	91.1	Very high	91 Å²	91	72 Å²	72	45%	0.448	38%	0.377	S	S	.	.	H	α-helix	trans	-70.4	-37	-179.9	-168.4	-176.8	-66.6	0	0	112.1	T862 F868 P893 V911	T862-M864 PolarHBondContact O-N 2.82Å; T862-M864 VanDerWaalsContact O-N 3.12Å; M864-F868 PolarHBondContact O-N 2.62Å; M864-P893 HydrophobicContact CB-CB 4.4Å; M864-P893 HydrophobicContact CG-CB 3.73Å; M864-P893 HydrophobicContact CG-CG 4.49Å; M864-P893 WeakPolarHBondContact O-CG 3.35Å; M864-P893 HydrophobicContact SD-CB 3.88Å; M864-V911 HydrophobicContact SD-CG2 4.23Å
865	E	93.5	Very high	90.9	Very high	12 Å²	12	71.9 Å²	71.9	6%	0.056	37%	0.372	C	S	.	.	H	α-helix	trans	-74.1	-40.3	177.7	-67.6	172	142.1	0	0	111.7	Q841 L845 H861 T862 A867 F868 L869 P893	Q841-E865 WeakPolarHBondContact CG-OE1 3.47Å; Q841-E865 PolarHBondContact NE2-OE1 3.16Å; L845-E865 HydrophobicContact CD1-CB 4.09Å; L845-E865 HydrophobicContact CD1-CG 3.67Å; L845-E865 HydrophobicContact CD2-CB 4.09Å; L845-E865 HydrophobicContact CD2-CG 4.48Å; H861-E865 HydrophobicContact CB-CB 3.78Å; H861-E865 IonicContact CG-OE2 3.56Å; H861-E865 IonicContact ND1-OE2 2.59Å; H861-E865 PolarHBondContact ND1-OE2 2.9Å; T862-E865 PolarHBondContact N-OE2 2.88Å; T862-E865 PolarHBondContact O-N 2.88Å; T862-E865 WeakPolarHBondContact OG1-CB 3.32Å; T862-E865 VanDerWaalsContact OG1-CD 3.23Å; T862-E865 WeakPolarHBondContact OG1-CG 3.26Å; T862-E865 PolarHBondContact OG1-N 3.27Å; T862-E865 PolarHBondContact OG1-OE2 2.68Å; E865-A867 VanDerWaalsContact C-N 3.3Å; E865-A867 PolarHBondContact O-N 2.76Å; E865-F868 WeakPolarHBondContact O-CA 3.44Å; E865-F868 WeakPolarHBondContact O-CB 3.34Å; E865-F868 PolarHBondContact O-N 3.12Å; E865-L869 PolarHBondContact O-N 2.62Å; E865-P893 HydrophobicContact CB-CG 4.3Å; E865-P893 HydrophobicContact CG-CB 4.11Å; E865-P893 HydrophobicContact CG-CG 3.97Å
866	Q	92.5	Very high	90.7	Very high	40 Å²	40	73.6 Å²	73.6	19%	0.187	38%	0.384	C	S	.	.	H	α-helix	trans	-57.3	-45.6	170.1	-67.9	179.7	28.2	0	0	110.6	A858 H861 T862 F868 L869 Y870 H875	A858-Q866 WeakPolarHBondContact O-CG 3.46Å; H861-Q866 HydrophobicContact CB-CG 4.32Å; H861-Q866 PolarHBondContact O-NE2 3.02Å; T862-Q866 WeakPolarHBondContact O-CG 3.33Å; T862-Q866 PolarHBondContact O-N 3.43Å; Q866-F868 PolarHBondContact O-N 3Å; Q866-L869 PolarHBondContact O-N 2.77Å; Q866-Y870 VanDerWaalsContact O-CD2 3.27Å; Q866-Y870 WeakPolarHBondContact O-CD2 3.4Å; Q866-Y870 PolarHBondContact O-N 2.94Å; Q866-H875 VanDerWaalsContact CB-CE1 3.5Å; Q866-H875 WeakPolarHBondContact CB-CE1 3.49Å; Q866-H875 PolarHBondContact OE1-CE1 2.93Å; Q866-H875 PolarHBondContact OE1-ND1 3.28Å
867	A	92.8	Very high	90.7	Very high	58 Å²	58	72.7 Å²	72.7	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-60.2	-21.6	176	0	0	0	0	0	114	E863 E865	E863-A867 WeakPolarHBondContact O-CB 3.5Å; E863-A867 PolarHBondContact O-N 3.1Å; E865-A867 VanDerWaalsContact C-N 3.3Å; E865-A867 PolarHBondContact O-N 2.76Å
868	F	95.3	Very high	90.9	Very high	16 Å²	16	71.5 Å²	71.5	7%	0.07	38%	0.375	C	S	.	.	H	α-helix	trans	-81.6	-41.1	168.9	174.4	-95	0	0	0	112.1	L845 T849 M864 E865 Q866 Y870 R879 L881 A891 I892 P893	L845-F868 HydrophobicContact CB-CD1 4.25Å; L845-F868 HydrophobicContact CB-CE1 4.23Å; T849-F868 HydrophobicContact CG2-CD1 4.29Å; T849-F868 HydrophobicContact CG2-CE1 3.66Å; T849-F868 HydrophobicContact CG2-CZ 4.31Å; M864-F868 PolarHBondContact O-N 2.62Å; E865-F868 WeakPolarHBondContact O-CA 3.44Å; E865-F868 WeakPolarHBondContact O-CB 3.34Å; E865-F868 PolarHBondContact O-N 3.12Å; Q866-F868 PolarHBondContact O-N 3Å; F868-Y870 PolarHBondContact O-N 3.12Å; F868-R879 VanDerWaalsContact O-CD 3.24Å; F868-R879 WeakPolarHBondContact O-CD 3.48Å; F868-R879 PolarHBondContact O-NE 3.09Å; F868-L881 HydrophobicContact CZ-CD1 4.15Å; F868-A891 WeakPolarHBondContact CE2-O 3.28Å; F868-I892 HydrophobicContact CD1-CG2 4.22Å; F868-I892 HydrophobicContact CD2-CG2 4.45Å; F868-I892 HydrophobicContact CE1-CG2 4.01Å; F868-I892 HydrophobicContact CE2-CB 4.34Å; F868-I892 HydrophobicContact CE2-CG1 3.88Å; F868-I892 HydrophobicContact CE2-CG2 4.25Å; F868-I892 HydrophobicContact CG-CG2 4.44Å; F868-I892 HydrophobicContact CZ-CB 4.44Å; F868-I892 HydrophobicContact CZ-CD1 4.11Å; F868-I892 HydrophobicContact CZ-CG1 3.89Å; F868-I892 HydrophobicContact CZ-CG2 4.03Å; F868-P893 HydrophobicContact CB-CG 3.61Å; F868-P893 HydrophobicContact CG-CG 4.23Å
869	L	96.6	Very high	91.1	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-65.1	-25.5	179.8	-67.5	175.8	0	0	0	113.1	L845 M848 T849 F853 A858 E865 Q866 R879	L845-L869 HydrophobicContact CD2-CD1 4.16Å; L845-L869 HydrophobicContact CD2-CD2 4.03Å; L845-L869 HydrophobicContact CD2-CG 4.12Å; M848-L869 HydrophobicContact CB-CD2 3.93Å; M848-L869 HydrophobicContact CE-CD1 3.74Å; M848-L869 HydrophobicContact CE-CD2 4.11Å; M848-L869 HydrophobicContact SD-CD1 4.43Å; M848-L869 HydrophobicContact SD-CD2 4.19Å; T849-L869 HydrophobicContact CG2-CD2 4.01Å; F853-L869 HydrophobicContact CD1-CD2 4.33Å; F853-L869 HydrophobicContact CE1-CB 4.28Å; F853-L869 HydrophobicContact CE1-CD2 4.15Å; F853-L869 HydrophobicContact CE2-CB 4.03Å; F853-L869 HydrophobicContact CZ-CB 3.73Å; F853-L869 HydrophobicContact CZ-CD2 4.39Å; F853-L869 WeakPolarHBondContact CZ-O 3.37Å; A858-L869 HydrophobicContact CB-CD1 3.87Å; E865-L869 PolarHBondContact O-N 2.62Å; Q866-L869 PolarHBondContact O-N 2.77Å; L869-R879 WeakPolarHBondContact O-CA 3.45Å; L869-R879 WeakPolarHBondContact O-CB 3.31Å; L869-R879 PolarHBondContact O-N 2.89Å
870	Y	95.5	Very high	91.5	Very high	9 Å²	9	73.7 Å²	73.7	4%	0.035	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-105.5	156.7	176.9	-62.2	-89.9	0	0	0	112.8	D855 A858 Q866 F868 H875 Q877 H878 R879	D855-Y870 PolarHBondContact OD1-OH 3.38Å; A858-Y870 HydrophobicContact CB-CE2 3.85Å; A858-Y870 WeakPolarHBondContact CB-OH 2.81Å; Q866-Y870 VanDerWaalsContact O-CD2 3.27Å; Q866-Y870 WeakPolarHBondContact O-CD2 3.4Å; Q866-Y870 PolarHBondContact O-N 2.94Å; F868-Y870 PolarHBondContact O-N 3.12Å; Y870-H875 VanDerWaalsContact CD1-CA 3.44Å; Y870-H875 HydrophobicContact CD1-CB 3.84Å; Y870-H875 WeakPolarHBondContact CD1-O 3.29Å; Y870-H875 HydrophobicContact CD2-CB 3.64Å; Y870-H875 AromaticContact CD2-CD2 3.57Å; Y870-H875 AromaticContact CD2-CG 3.51Å; Y870-H875 HydrophobicContact CE1-CB 3.91Å; Y870-H875 WeakPolarHBondContact CE1-O 3.4Å; Y870-H875 HydrophobicContact CE2-CB 3.78Å; Y870-H875 AromaticContact CE2-CG 3.89Å; Y870-H875 HydrophobicContact CG-CB 3.72Å; Y870-H875 AromaticContact CG-CD2 3.83Å; Y870-H875 AromaticContact CG-CG 3.91Å; Y870-Q877 WeakPolarHBondContact CA-O 3.41Å; Y870-H878 AromaticContact CD1-CD2 3.92Å; Y870-H878 AromaticContact CE1-CD2 3.39Å; Y870-H878 WeakPolarHBondContact CE1-CD2 3.41Å; Y870-H878 AromaticContact CE1-NE2 3.84Å; Y870-R879 PolarHBondContact O-NH2 3.21Å
871	T	93.3	Very high	91.8	Very high	80 Å²	80	70.6 Å²	70.6	49%	0.491	36%	0.364	S	S	.	.	S	Bend	trans	-90.4	-21.7	174.1	61.6	0	0	0	0	113.2	Q877 R879	T871-Q877 PolarHBondContact N-O 2.93Å; T871-Q877 VanDerWaalsContact OG1-CB 3.29Å; T871-Q877 WeakPolarHBondContact OG1-CB 3.39Å; T871-Q877 PolarHBondContact OG1-O 2.92Å; T871-R879 HydrophobicContact CG2-CB 4.01Å; T871-R879 HydrophobicContact CG2-CG 4.31Å
872	D	91.2	Very high	92.2	Very high	30 Å²	30	72.3 Å²	72.3	16%	0.16	38%	0.377	C	S	.	.	S	Bend	trans	-116.2	161.2	-178.8	65.6	-51.1	0	0	0	111.1	E874 H875 T876 Q877	D872-E874 VanDerWaalsContact C-N 3.32Å; D872-H875 PolarHBondContact OD2-N 3.28Å; D872-T876 PolarHBondContact OD1-N 3.1Å; D872-T876 VanDerWaalsContact OD1-N 3.16Å; D872-T876 WeakPolarHBondContact OD2-CB 3.25Å; D872-T876 PolarHBondContact OD2-N 3.35Å; D872-T876 PolarHBondContact OD2-OG1 2.62Å; D872-Q877 WeakPolarHBondContact OD1-CB 3.18Å; D872-Q877 PolarHBondContact OD1-N 3.38Å
873	K	87.6	Confident	92.6	Very high	190 Å²	190	70.1 Å²	70.1	83%	0.826	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-21.9	-177.3	-68.7	-176.2	178.4	-179.1	0	112.6	H875	K873-H875 PolarHBondContact O-N 2.74Å
874	E	88.9	Confident	93	Very high	145 Å²	145	68.6 Å²	68.6	68%	0.678	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-1	-179.8	-62	72.7	-162.8	0	0	112.3	D872 T876	D872-E874 VanDerWaalsContact C-N 3.32Å; E874-T876 VanDerWaalsContact C-N 3.3Å; E874-T876 HydrophobicContact CB-CG2 3.96Å; E874-T876 PolarHBondContact O-N 3.36Å
875	H	88.9	Confident	93.4	Very high	60 Å²	60	67.5 Å²	67.5	28%	0.278	35%	0.351	S	S	.	.	S	Bend	trans	54.6	42.4	-179.6	-60.4	170.5	0	0	0	112.9	Q866 Y870 D872 K873	Q866-H875 VanDerWaalsContact CB-CE1 3.5Å; Q866-H875 WeakPolarHBondContact CB-CE1 3.49Å; Q866-H875 PolarHBondContact OE1-CE1 2.93Å; Q866-H875 PolarHBondContact OE1-ND1 3.28Å; Y870-H875 VanDerWaalsContact CD1-CA 3.44Å; Y870-H875 HydrophobicContact CD1-CB 3.84Å; Y870-H875 WeakPolarHBondContact CD1-O 3.29Å; Y870-H875 HydrophobicContact CD2-CB 3.64Å; Y870-H875 AromaticContact CD2-CD2 3.57Å; Y870-H875 AromaticContact CD2-CG 3.51Å; Y870-H875 HydrophobicContact CE1-CB 3.91Å; Y870-H875 WeakPolarHBondContact CE1-O 3.4Å; Y870-H875 HydrophobicContact CE2-CB 3.78Å; Y870-H875 AromaticContact CE2-CG 3.89Å; Y870-H875 HydrophobicContact CG-CB 3.72Å; Y870-H875 AromaticContact CG-CD2 3.83Å; Y870-H875 AromaticContact CG-CG 3.91Å; D872-H875 PolarHBondContact OD2-N 3.28Å; K873-H875 PolarHBondContact O-N 2.74Å
876	T	87.5	Confident	93.6	Very high	103 Å²	103	67 Å²	67	63%	0.632	35%	0.348	S	S	*	.			trans	-104.3	-17.1	-179.4	67.1	0	0	0	0	113.7	D872 E874	D872-T876 PolarHBondContact OD1-N 3.1Å; D872-T876 VanDerWaalsContact OD1-N 3.16Å; D872-T876 WeakPolarHBondContact OD2-CB 3.25Å; D872-T876 PolarHBondContact OD2-N 3.35Å; D872-T876 PolarHBondContact OD2-OG1 2.62Å; E874-T876 VanDerWaalsContact C-N 3.3Å; E874-T876 HydrophobicContact CB-CG2 3.96Å; E874-T876 PolarHBondContact O-N 3.36Å
877	Q	92.3	Very high	93.8	Very high	118 Å²	118	66.7 Å²	66.7	55%	0.551	35%	0.349	S	S	*	.	S	Bend	trans	-125.6	110.9	-177.8	-64.3	-175.1	8.4	0	0	111	Y870 T871 D872 R879	Y870-Q877 WeakPolarHBondContact CA-O 3.41Å; T871-Q877 PolarHBondContact N-O 2.93Å; T871-Q877 VanDerWaalsContact OG1-CB 3.29Å; T871-Q877 WeakPolarHBondContact OG1-CB 3.39Å; T871-Q877 PolarHBondContact OG1-O 2.92Å; D872-Q877 WeakPolarHBondContact OD1-CB 3.18Å; D872-Q877 PolarHBondContact OD1-N 3.38Å; Q877-R879 PolarHBondContact O-N 3.47Å
878	H	95	Very high	93.9	Very high	79 Å²	79	67.4 Å²	67.4	37%	0.366	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-60.3	134.7	175.9	-66.7	-178.2	0	0	0	111	F853 D855 Y870 S880	F853-H878 HydrophobicContact CE1-CB 4.11Å; F853-H878 AromaticContact CE2-CD2 3.78Å; F853-H878 AromaticContact CE2-CG 3.92Å; F853-H878 AromaticContact CE2-NE2 3.87Å; F853-H878 HydrophobicContact CZ-CB 3.77Å; F853-H878 AromaticContact CZ-CD2 3.84Å; F853-H878 AromaticContact CZ-CG 3.66Å; F853-H878 PolarHBondContact O-CE1 2.77Å; F853-H878 PolarHBondContact O-ND1 2.87Å; D855-H878 IonicContact OD1-CD2 3.25Å; D855-H878 IonicContact OD1-CE1 3.99Å; D855-H878 IonicContact OD1-NE2 2.77Å; D855-H878 PolarHBondContact OD1-NE2 2.84Å; Y870-H878 AromaticContact CD1-CD2 3.92Å; Y870-H878 AromaticContact CE1-CD2 3.39Å; Y870-H878 WeakPolarHBondContact CE1-CD2 3.41Å; Y870-H878 AromaticContact CE1-NE2 3.84Å; H878-S880 PolarHBondContact O-N 2.98Å
879	R	96.3	Very high	93.8	Very high	77 Å²	77	69.1 Å²	69.1	29%	0.291	37%	0.37	S	S	.	.			trans	-73	119.7	168.3	-175.3	-178.7	-61.4	-100.9	-4.7	108.9	T849 F868 L869 Y870 T871 Q877 L881	T849-R879 WeakPolarHBondContact CB-O 3.34Å; T849-R879 HydrophobicContact CG2-CB 4.16Å; T849-R879 HydrophobicContact CG2-CG 4.22Å; F868-R879 VanDerWaalsContact O-CD 3.24Å; F868-R879 WeakPolarHBondContact O-CD 3.48Å; F868-R879 PolarHBondContact O-NE 3.09Å; L869-R879 WeakPolarHBondContact O-CA 3.45Å; L869-R879 WeakPolarHBondContact O-CB 3.31Å; L869-R879 PolarHBondContact O-N 2.89Å; Y870-R879 PolarHBondContact O-NH2 3.21Å; T871-R879 HydrophobicContact CG2-CB 4.01Å; T871-R879 HydrophobicContact CG2-CG 4.31Å; Q877-R879 PolarHBondContact O-N 3.47Å; R879-L881 HydrophobicContact CG-CD2 4.06Å; R879-L881 HydrophobicContact CG-CG 3.99Å
880	S	95.6	Very high	93.8	Very high	105 Å²	105	70 Å²	70	73%	0.734	38%	0.375	S	S	*	.			trans	-109.7	109.3	171.4	-175.9	0	0	0	0	109.2	T849 H878	T849-S880 CarbonylContact O-C 3.48Å; T849-S880 WeakPolarHBondContact O-CA 3.11Å; H878-S880 PolarHBondContact O-N 2.98Å
881	L	96.1	Very high	93.8	Very high	24 Å²	24	71.9 Å²	71.9	13%	0.126	39%	0.392	C	S	.	.			trans	-103.6	164.8	173	-62.4	-175.1	0	0	0	109.6	F846 T849 V850 F868 R879 D885 L890	F846-L881 HydrophobicContact CD2-CD1 4.14Å; F846-L881 HydrophobicContact CE2-CB 4.45Å; F846-L881 HydrophobicContact CE2-CD1 3.99Å; T849-L881 PolarHBondContact O-N 3.25Å; T849-L881 WeakPolarHBondContact OG1-CD1 3.48Å; V850-L881 WeakPolarHBondContact CA-O 3.02Å; V850-L881 HydrophobicContact CG2-CB 4.46Å; F868-L881 HydrophobicContact CZ-CD1 4.15Å; R879-L881 HydrophobicContact CG-CD2 4.06Å; R879-L881 HydrophobicContact CG-CG 3.99Å; L881-D885 HydrophobicContact CB-CB 4.1Å; L881-D885 HydrophobicContact CD1-CB 4.46Å; L881-D885 HydrophobicContact CD2-CB 4.13Å; L881-D885 HydrophobicContact CG-CB 4.46Å; L881-L890 HydrophobicContact CD1-CD1 4.34Å
882	T	95.6	Very high	94	Very high	72 Å²	72	68.1 Å²	68.1	44%	0.442	37%	0.369	S	S	.	.			trans	-116.4	167.6	172.7	70.5	0	0	0	0	110.1	K884 D885	T882-K884 PolarHBondContact O-N 3.12Å; T882-K884 PolarHBondContact OG1-N 2.76Å; T882-D885 WeakPolarHBondContact CA-OD2 3.46Å; T882-D885 WeakPolarHBondContact CB-OD2 3.38Å; T882-D885 PolarHBondContact N-OD2 2.85Å; T882-D885 WeakPolarHBondContact O-CB 3.46Å; T882-D885 PolarHBondContact O-N 2.92Å; T882-D885 PolarHBondContact OG1-OD2 3.36Å
883	V	95.2	Very high	94.2	Very high	15 Å²	15	67 Å²	67	9%	0.091	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-55.2	-27.9	174.4	-150.4	0	0	0	0	112.2	W807 I815 Y831 D885 F886	W807-V883 HydrophobicContact CB-CG1 3.91Å; W807-V883 VanDerWaalsContact CD1-O 3.3Å; W807-V883 HydrophobicContact CG-CG1 4.48Å; W807-V883 PolarHBondContact NE1-O 2.97Å; I815-V883 HydrophobicContact CB-CG1 3.85Å; I815-V883 HydrophobicContact CD1-CG1 3.84Å; I815-V883 HydrophobicContact CG1-CG1 4.39Å; I815-V883 HydrophobicContact CG2-CG1 3.77Å; Y831-V883 HydrophobicContact CE1-CG1 4.46Å; Y831-V883 HydrophobicContact CE1-CG2 3.83Å; V883-D885 VanDerWaalsContact C-N 3.33Å; V883-D885 PolarHBondContact O-N 2.96Å; V883-F886 WeakPolarHBondContact O-CB 3.38Å; V883-F886 PolarHBondContact O-N 2.91Å
884	K	96.2	Very high	94.3	Very high	116 Å²	116	58.3 Å²	58.3	50%	0.504	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-72.2	-24.5	178.9	-60.9	177.4	-177.9	171.2	0	113.3	W807 T882 F886	W807-K884 HydrophobicContact CE3-CG 4.22Å; W807-K884 HydrophobicContact CH2-CB 4.17Å; W807-K884 HydrophobicContact CH2-CG 4.1Å; W807-K884 HydrophobicContact CZ2-CB 4.26Å; W807-K884 HydrophobicContact CZ3-CB 4.46Å; W807-K884 HydrophobicContact CZ3-CG 3.91Å; T882-K884 PolarHBondContact O-N 3.12Å; T882-K884 PolarHBondContact OG1-N 2.76Å; K884-F886 PolarHBondContact O-N 3.22Å
885	D	96.6	Very high	94.5	Very high	69 Å²	69	54.2 Å²	54.2	37%	0.369	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-73.1	-11.3	174.9	-60.4	-69.1	0	0	0	111.9	L881 T882 V883 T887	L881-D885 HydrophobicContact CB-CB 4.1Å; L881-D885 HydrophobicContact CD1-CB 4.46Å; L881-D885 HydrophobicContact CD2-CB 4.13Å; L881-D885 HydrophobicContact CG-CB 4.46Å; T882-D885 WeakPolarHBondContact CA-OD2 3.46Å; T882-D885 WeakPolarHBondContact CB-OD2 3.38Å; T882-D885 PolarHBondContact N-OD2 2.85Å; T882-D885 WeakPolarHBondContact O-CB 3.46Å; T882-D885 PolarHBondContact O-N 2.92Å; T882-D885 PolarHBondContact OG1-OD2 3.36Å; V883-D885 VanDerWaalsContact C-N 3.33Å; V883-D885 PolarHBondContact O-N 2.96Å; D885-T887 PolarHBondContact O-N 3.05Å
886	F	96.7	Very high	94.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.317	C	S	.	.			trans	-71.4	75.2	166.8	-160.6	-108.6	0	0	0	110.8	W807 V809 T813 I815 V833 C835 M838 F846 V883 K884 L890 M914	W807-F886 PolarHBondContact NE1-O 2.94Å; V809-F886 HydrophobicContact CG2-CD1 3.98Å; V809-F886 WeakPolarHBondContact CG2-O 3.42Å; T813-F886 HydrophobicContact CG2-CD1 4.4Å; T813-F886 HydrophobicContact CG2-CE1 3.66Å; T813-F886 HydrophobicContact CG2-CZ 4.31Å; I815-F886 HydrophobicContact CD1-CB 3.61Å; I815-F886 HydrophobicContact CD1-CD1 3.62Å; I815-F886 HydrophobicContact CD1-CD2 3.73Å; I815-F886 HydrophobicContact CD1-CE1 4.1Å; I815-F886 HydrophobicContact CD1-CE2 4.2Å; I815-F886 HydrophobicContact CD1-CG 3.38Å; I815-F886 HydrophobicContact CD1-CZ 4.35Å; I815-F886 HydrophobicContact CG1-CB 4.49Å; I815-F886 HydrophobicContact CG1-CD1 3.65Å; I815-F886 HydrophobicContact CG1-CD2 4.48Å; I815-F886 HydrophobicContact CG1-CE1 3.81Å; I815-F886 HydrophobicContact CG1-CG 3.99Å; I815-F886 HydrophobicContact CG1-CZ 4.28Å; V833-F886 HydrophobicContact CG1-CE1 4.46Å; V833-F886 HydrophobicContact CG1-CE2 3.87Å; V833-F886 HydrophobicContact CG1-CZ 3.62Å; C835-F886 HydrophobicContact CB-CE1 4.46Å; C835-F886 HydrophobicContact CB-CZ 3.79Å; M838-F886 HydrophobicContact CE-CE2 3.72Å; M838-F886 HydrophobicContact CE-CZ 4.13Å; M838-F886 HydrophobicContact SD-CE2 4Å; M838-F886 HydrophobicContact SD-CZ 4.3Å; F846-F886 HydrophobicContact CD1-CD2 4.04Å; F846-F886 HydrophobicContact CD1-CE2 4.49Å; F846-F886 HydrophobicContact CD2-CD2 4.29Å; F846-F886 HydrophobicContact CE1-CB 4.11Å; F846-F886 AromaticContact CE1-CD2 3.82Å; F846-F886 HydrophobicContact CE1-CD2 3.82Å; F846-F886 HydrophobicContact CE1-CG 4.32Å; F846-F886 HydrophobicContact CE2-CB 4.23Å; F846-F886 HydrophobicContact CE2-CD2 4.07Å; F846-F886 HydrophobicContact CG-CD2 4.28Å; F846-F886 HydrophobicContact CZ-CB 3.63Å; F846-F886 AromaticContact CZ-CD2 3.85Å; F846-F886 HydrophobicContact CZ-CD2 3.85Å; F846-F886 HydrophobicContact CZ-CG 4.2Å; V883-F886 WeakPolarHBondContact O-CB 3.38Å; V883-F886 PolarHBondContact O-N 2.91Å; K884-F886 PolarHBondContact O-N 3.22Å; F886-L890 HydrophobicContact CD2-CD2 3.7Å; F886-L890 HydrophobicContact CE2-CD2 4.32Å; F886-L890 HydrophobicContact CG-CD2 4.49Å; F886-M914 HydrophobicContact CD1-CE 3.9Å; F886-M914 HydrophobicContact CD2-CE 3.91Å; F886-M914 HydrophobicContact CE1-CE 3.76Å; F886-M914 HydrophobicContact CE2-CE 3.77Å; F886-M914 HydrophobicContact CG-CE 3.99Å; F886-M914 HydrophobicContact CZ-CE 3.7Å
887	T	95.8	Very high	94.8	Very high	35 Å²	35	54.3 Å²	54.3	22%	0.215	31%	0.305	C	S	.	.	S	Bend	trans	-144.3	174.5	-177.8	-165.4	0	0	0	0	112	Q522 D885 G889 L890 M914	Q522-T887 PolarHBondContact OE1-OG1 2.85Å; D885-T887 PolarHBondContact O-N 3.05Å; T887-G889 PolarHBondContact O-N 2.93Å; T887-L890 VanDerWaalsContact O-CB 3.28Å; T887-L890 WeakPolarHBondContact O-CB 3.38Å; T887-L890 PolarHBondContact O-N 2.87Å; T887-L890 VanDerWaalsContact O-N 3.1Å; T887-M914 VanDerWaalsContact O-SD 3.33Å
888	V	94.9	Very high	94.7	Very high	72 Å²	72	52.8 Å²	52.8	44%	0.436	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	129.2	178.4	177.5	0	0	0	0	109.6	V809 M914	V809-V888 HydrophobicContact CG1-CG2 4.28Å; V888-M914 WeakPolarHBondContact CA-O 3.27Å
889	G	94.4	Very high	94.6	Very high	53 Å²	53	54.6 Å²	54.6	55%	0.546	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.5	-14	-173.3	0	0	0	0	0	114.3	T887 A891 M914	T887-G889 PolarHBondContact O-N 2.93Å; G889-A891 PolarHBondContact O-N 2.87Å; G889-M914 PolarHBondContact N-O 2.86Å
890	L	96.1	Very high	94.5	Very high	19 Å²	19	56.6 Å²	56.6	10%	0.099	32%	0.32	C	S	.	.			trans	-63.6	124.4	175.1	179.5	60.1	0	0	0	111	F846 L881 F886 T887 I892 M914	F846-L890 HydrophobicContact CD2-CD2 3.78Å; F846-L890 HydrophobicContact CE2-CD2 3.81Å; L881-L890 HydrophobicContact CD1-CD1 4.34Å; F886-L890 HydrophobicContact CD2-CD2 3.7Å; F886-L890 HydrophobicContact CE2-CD2 4.32Å; F886-L890 HydrophobicContact CG-CD2 4.49Å; T887-L890 VanDerWaalsContact O-CB 3.28Å; T887-L890 WeakPolarHBondContact O-CB 3.38Å; T887-L890 PolarHBondContact O-N 2.87Å; T887-L890 VanDerWaalsContact O-N 3.1Å; L890-I892 HydrophobicContact CD1-CD1 4.21Å; L890-I892 HydrophobicContact CD1-CG1 3.98Å; L890-I892 HydrophobicContact CD2-CD1 3.91Å; L890-I892 HydrophobicContact CD2-CG1 4.38Å; L890-I892 HydrophobicContact CG-CD1 3.96Å; L890-I892 HydrophobicContact CG-CG1 3.86Å; L890-M914 HydrophobicContact CB-CB 4.33Å; L890-M914 HydrophobicContact CD2-CE 4.39Å; L890-M914 PolarHBondContact O-N 3.3Å
891	A	96.8	Very high	94.4	Very high	48 Å²	48	52.1 Å²	52.1	40%	0.397	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.7	-180	0	0	0	0	0	109.9	F868 G889 V911 Y912	F868-A891 WeakPolarHBondContact CE2-O 3.28Å; G889-A891 PolarHBondContact O-N 2.87Å; A891-V911 HydrophobicContact CB-CG1 3.83Å; A891-Y912 CarbonylContact C-O 3.27Å; A891-Y912 VanDerWaalsContact CA-O 3.3Å; A891-Y912 WeakPolarHBondContact CA-O 3.38Å
892	I	96.5	Very high	94.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.1	-175	-46.2	-173.5	0	0	0	110.3	M838 C842 L845 F846 F868 L890 Y912	M838-I892 HydrophobicContact CE-CD1 4.43Å; C842-I892 HydrophobicContact CB-CB 4.25Å; C842-I892 HydrophobicContact CB-CG2 4.07Å; L845-I892 HydrophobicContact CB-CG2 4Å; L845-I892 HydrophobicContact CD1-CG2 4.21Å; F846-I892 HydrophobicContact CB-CD1 3.7Å; F846-I892 HydrophobicContact CD2-CD1 4.08Å; F846-I892 HydrophobicContact CG-CD1 4.26Å; F868-I892 HydrophobicContact CD1-CG2 4.22Å; F868-I892 HydrophobicContact CD2-CG2 4.45Å; F868-I892 HydrophobicContact CE1-CG2 4.01Å; F868-I892 HydrophobicContact CE2-CB 4.34Å; F868-I892 HydrophobicContact CE2-CG1 3.88Å; F868-I892 HydrophobicContact CE2-CG2 4.25Å; F868-I892 HydrophobicContact CG-CG2 4.44Å; F868-I892 HydrophobicContact CZ-CB 4.44Å; F868-I892 HydrophobicContact CZ-CD1 4.11Å; F868-I892 HydrophobicContact CZ-CG1 3.89Å; F868-I892 HydrophobicContact CZ-CG2 4.03Å; L890-I892 HydrophobicContact CD1-CD1 4.21Å; L890-I892 HydrophobicContact CD1-CG1 3.98Å; L890-I892 HydrophobicContact CD2-CD1 3.91Å; L890-I892 HydrophobicContact CD2-CG1 4.38Å; L890-I892 HydrophobicContact CG-CD1 3.96Å; L890-I892 HydrophobicContact CG-CG1 3.86Å; I892-Y912 PolarHBondContact N-O 3.17Å; I892-Y912 PolarHBondContact O-N 3.5Å
893	P	95.4	Very high	94.3	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.039	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	175.6	173.9	31.8	-36.3	0	0	0	112.7	C842 L845 M864 E865 F868	C842-P893 PolarHBondContact SG-O 3.47Å; L845-P893 HydrophobicContact CD1-CG 4.26Å; M864-P893 HydrophobicContact CB-CB 4.4Å; M864-P893 HydrophobicContact CG-CB 3.73Å; M864-P893 HydrophobicContact CG-CG 4.49Å; M864-P893 WeakPolarHBondContact O-CG 3.35Å; M864-P893 HydrophobicContact SD-CB 3.88Å; E865-P893 HydrophobicContact CB-CG 4.3Å; E865-P893 HydrophobicContact CG-CB 4.11Å; E865-P893 HydrophobicContact CG-CG 3.97Å; F868-P893 HydrophobicContact CB-CG 3.61Å; F868-P893 HydrophobicContact CG-CG 4.23Å
894	G	90.6	Very high	94.3	Very high	9 Å²	9	50 Å²	50	9%	0.093	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.2	12.8	179.5	0	0	0	0	0	114.6	S910	G894-S910 PolarHBondContact N-O 3.15Å
895	K	92.9	Very high	94.2	Very high	58 Å²	58	45 Å²	45	25%	0.252	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115	173.9	-178.5	-178.2	-177.4	-179.1	0	111.4	P839 L897 S910 Y912	P839-K895 HydrophobicContact CG-CB 4.02Å; P839-K895 HydrophobicContact CG-CG 3.92Å; K895-L897 HydrophobicContact CD-CD2 4.47Å; K895-S910 PolarHBondContact N-O 2.84Å; K895-S910 CarbonylContact O-C 3.6Å; K895-S910 VanDerWaalsContact O-CA 3.32Å; K895-S910 WeakPolarHBondContact O-CA 2.97Å; K895-S910 WeakPolarHBondContact O-CB 3.41Å; K895-S910 PolarHBondContact O-N 3.03Å; K895-Y912 HydrophobicContact CD-CD2 4.24Å
896	L	90.7	Very high	94	Very high	92 Å²	92	42.4 Å²	42.4	48%	0.482	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.2	173.2	-62.4	176.5	0	0	0	111.8	L907 V908 D909	L896-L907 HydrophobicContact CB-CB 4.29Å; L896-L907 HydrophobicContact CD1-CB 4.43Å; L896-L907 HydrophobicContact CD1-CD1 4.33Å; L896-L907 HydrophobicContact CD2-CB 4.49Å; L896-V908 WeakPolarHBondContact CA-O 3.5Å; L896-D909 WeakPolarHBondContact CD2-OD1 3.46Å
897	L	90.3	Very high	93.7	Very high	73 Å²	73	46.1 Å²	46.1	38%	0.382	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.5	173.5	-71.1	179.5	0	0	0	110.9	K895 K899 V908 S910	K895-L897 HydrophobicContact CD-CD2 4.47Å; L897-K899 PolarHBondContact O-N 2.65Å; L897-V908 PolarHBondContact N-O 3.47Å; L897-V908 PolarHBondContact O-N 2.96Å; L897-S910 WeakPolarHBondContact CD1-OG 3.38Å
898	P	91.3	Very high	93.4	Very high	87 Å²	87	47.1 Å²	47.1	57%	0.565	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.2	176	29.1	-33.4	0	0	0	110.8	V905 L907	P898-V905 HydrophobicContact CB-CG1 3.67Å; P898-L907 HydrophobicContact CB-CD2 4.03Å
899	K	92.6	Very high	93.1	Very high	117 Å²	117	47.7 Å²	47.7	51%	0.509	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.8	172.6	-174.7	-175.1	176.2	-170.7	0	109	L897 I901 V905 L906 V908	L897-K899 PolarHBondContact O-N 2.65Å; K899-I901 HydrophobicContact CD-CG2 4.01Å; K899-I901 HydrophobicContact CG-CG2 4Å; K899-V905 WeakPolarHBondContact O-CA 3.43Å; K899-L906 PolarHBondContact N-O 3.05Å; K899-L906 PolarHBondContact O-N 2.74Å; K899-V908 HydrophobicContact CB-CG2 3.6Å; K899-V908 HydrophobicContact CD-CG2 3.94Å; K899-V908 HydrophobicContact CG-CG2 4.43Å
900	R	93.4	Very high	92.9	Very high	118 Å²	118	46.9 Å²	46.9	45%	0.445	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	125.9	172.1	-67.5	-174	-173.9	92.9	-1	109.4	I722 V905	I722-R900 WeakPolarHBondContact O-CD 3.48Å; R900-V905 HydrophobicContact CG-CG2 3.98Å
901	I	94.6	Very high	92.8	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.056	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	165.4	174.4	66.9	175.6	0	0	0	108.2	Q281 T284 K899 G903 G904 L906	Q281-I901 HydrophobicContact CG-CD1 4.09Å; T284-I901 HydrophobicContact CG2-CD1 4.15Å; T284-I901 HydrophobicContact CG2-CG1 3.8Å; K899-I901 HydrophobicContact CD-CG2 4.01Å; K899-I901 HydrophobicContact CG-CG2 4Å; I901-G903 PolarHBondContact O-N 2.84Å; I901-G904 PolarHBondContact N-O 2.98Å; I901-G904 PolarHBondContact O-N 2.82Å; I901-G904 VanDerWaalsContact O-N 3.11Å; I901-L906 HydrophobicContact CD1-CB 3.75Å; I901-L906 HydrophobicContact CD1-CD2 3.94Å; I901-L906 HydrophobicContact CD1-CG 4.42Å; I901-L906 HydrophobicContact CG1-CB 4.19Å
902	P	94.8	Very high	92.8	Very high	39 Å²	39	47.4 Å²	47.4	25%	0.253	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	129.9	176.6	-29	36.2	0	0	0	111.3	D282 H283 T284 D719 T721	D282-P902 VanDerWaalsContact O-CD 3.3Å; D282-P902 WeakPolarHBondContact O-CD 3.45Å; H283-P902 CarbonylContact C-O 3.52Å; H283-P902 WeakPolarHBondContact CA-O 3.19Å; H283-P902 HydrophobicContact CB-CB 4.32Å; T284-P902 PolarHBondContact N-O 3.05Å; D719-P902 WeakPolarHBondContact O-CG 3.48Å; T721-P902 HydrophobicContact CG2-CG 4.1Å
903	G	94.2	Very high	92.8	Very high	21 Å²	21	51.7 Å²	51.7	22%	0.216	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-22.6	-178.2	0	0	0	0	0	115.9	T284 F332 S335 I901	T284-G903 WeakPolarHBondContact O-CA 3.46Å; F332-G903 VanDerWaalsContact CD1-O 3.28Å; F332-G903 WeakPolarHBondContact CD1-O 3.43Å; S335-G903 WeakPolarHBondContact OG-CA 3.39Å; I901-G903 PolarHBondContact O-N 2.84Å
904	G	95	Very high	92.8	Very high	6 Å²	6	51.4 Å²	51.4	6%	0.062	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.4	-135.1	-179.9	0	0	0	0	0	115.7	I901	I901-G904 PolarHBondContact N-O 2.98Å; I901-G904 PolarHBondContact O-N 2.82Å; I901-G904 VanDerWaalsContact O-N 3.11Å
905	V	94.3	Very high	92.8	Very high	11 Å²	11	60.9 Å²	60.9	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.9	179.4	170.1	0	0	0	0	109.7	F328 S331 F332 P898 K899 R900	F328-V905 HydrophobicContact CD2-CB 4.24Å; F328-V905 HydrophobicContact CD2-CG1 4.07Å; F328-V905 HydrophobicContact CE2-CB 4.23Å; F328-V905 HydrophobicContact CE2-CG1 4.07Å; F328-V905 WeakPolarHBondContact CE2-O 3.35Å; S331-V905 VanDerWaalsContact OG-CG2 3.25Å; S331-V905 WeakPolarHBondContact OG-CG2 3.33Å; S331-V905 PolarHBondContact OG-N 2.86Å; F332-V905 WeakPolarHBondContact CZ-O 3.42Å; P898-V905 HydrophobicContact CB-CG1 3.67Å; K899-V905 WeakPolarHBondContact O-CA 3.43Å; R900-V905 HydrophobicContact CG-CG2 3.98Å
906	L	93	Very high	92.8	Very high	16 Å²	16	61.1 Å²	61.1	8%	0.084	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.3	169.6	-178.7	65.9	0	0	0	109.5	V277 Q281 K899 I901 V908	V277-L906 HydrophobicContact CG1-CD1 4.45Å; V277-L906 HydrophobicContact CG2-CD1 4.36Å; Q281-L906 HydrophobicContact CB-CD2 4.1Å; Q281-L906 HydrophobicContact CG-CD2 4.28Å; K899-L906 PolarHBondContact N-O 3.05Å; K899-L906 PolarHBondContact O-N 2.74Å; I901-L906 HydrophobicContact CD1-CB 3.75Å; I901-L906 HydrophobicContact CD1-CD2 3.94Å; I901-L906 HydrophobicContact CD1-CG 4.42Å; I901-L906 HydrophobicContact CG1-CB 4.19Å; L906-V908 HydrophobicContact CD2-CG2 4.13Å; L906-V908 HydrophobicContact CG-CG2 4.1Å
907	L	90.9	Very high	92.9	Very high	78 Å²	78	59.4 Å²	59.4	41%	0.408	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.5	170.3	-62.9	-176.8	0	0	0	108.7	F328 L896 P898	F328-L907 HydrophobicContact CE2-CD1 4.47Å; F328-L907 HydrophobicContact CE2-CD2 4.45Å; F328-L907 HydrophobicContact CE2-CG 4.08Å; L896-L907 HydrophobicContact CB-CB 4.29Å; L896-L907 HydrophobicContact CD1-CB 4.43Å; L896-L907 HydrophobicContact CD1-CD1 4.33Å; L896-L907 HydrophobicContact CD2-CB 4.49Å; P898-L907 HydrophobicContact CB-CD2 4.03Å
908	V	89	Confident	93	Very high	56 Å²	56	58.7 Å²	58.7	34%	0.339	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.3	-175.1	-162.4	0	0	0	0	109.7	L896 L897 K899 L906	L896-V908 WeakPolarHBondContact CA-O 3.5Å; L897-V908 PolarHBondContact N-O 3.47Å; L897-V908 PolarHBondContact O-N 2.96Å; K899-V908 HydrophobicContact CB-CG2 3.6Å; K899-V908 HydrophobicContact CD-CG2 3.94Å; K899-V908 HydrophobicContact CG-CG2 4.43Å; L906-V908 HydrophobicContact CD2-CG2 4.13Å; L906-V908 HydrophobicContact CG-CG2 4.1Å
909	D	87.6	Confident	93.1	Very high	83 Å²	83	57 Å²	57	44%	0.444	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	139.9	172.5	-76.3	-41.5	0	0	0	112.1	L896	L896-D909 WeakPolarHBondContact CD2-OD1 3.46Å
910	S	91.2	Very high	93.1	Very high	37 Å²	37	53.3 Å²	53.3	26%	0.259	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	173.8	-178.6	-160.8	0	0	0	0	110.2	G894 K895 L897	G894-S910 PolarHBondContact N-O 3.15Å; K895-S910 PolarHBondContact N-O 2.84Å; K895-S910 CarbonylContact O-C 3.6Å; K895-S910 VanDerWaalsContact O-CA 3.32Å; K895-S910 WeakPolarHBondContact O-CA 2.97Å; K895-S910 WeakPolarHBondContact O-CB 3.41Å; K895-S910 PolarHBondContact O-N 3.03Å; L897-S910 WeakPolarHBondContact CD1-OG 3.38Å
911	V	94.4	Very high	93.1	Very high	66 Å²	66	48.9 Å²	48.9	40%	0.4	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.6	-179.7	178.8	0	0	0	0	109.2	M864 A891	M864-V911 HydrophobicContact SD-CG2 4.23Å; A891-V911 HydrophobicContact CB-CG1 3.83Å
912	Y	96.1	Very high	93	Very high	11 Å²	11	51.6 Å²	51.6	4%	0.043	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.4	161.9	179	-87.3	0	0	0	109.1	C835 A836 G837 M838 A891 I892 K895 M914	C835-Y912 PolarHBondContact SG-OH 3.13Å; A836-Y912 PolarHBondContact O-OH 3.05Å; G837-Y912 VanDerWaalsContact O-CD2 3.25Å; G837-Y912 WeakPolarHBondContact O-CD2 3.4Å; G837-Y912 VanDerWaalsContact O-CE2 3.25Å; G837-Y912 WeakPolarHBondContact O-CE2 3.35Å; M838-Y912 HydrophobicContact CB-CD1 4.29Å; M838-Y912 HydrophobicContact CB-CD2 4.1Å; M838-Y912 HydrophobicContact CB-CE1 4.06Å; M838-Y912 HydrophobicContact CB-CE2 3.85Å; M838-Y912 HydrophobicContact CB-CG 4.31Å; M838-Y912 HydrophobicContact CE-CD1 3.49Å; M838-Y912 VanDerWaalsContact CE-CD1 3.49Å; M838-Y912 HydrophobicContact CE-CE1 3.3Å; M838-Y912 HydrophobicContact CE-CG 4.49Å; M838-Y912 HydrophobicContact CG-CD1 4.1Å; M838-Y912 HydrophobicContact CG-CD2 4.48Å; M838-Y912 HydrophobicContact CG-CE1 4.25Å; M838-Y912 HydrophobicContact CG-CG 4.22Å; A891-Y912 CarbonylContact C-O 3.27Å; A891-Y912 VanDerWaalsContact CA-O 3.3Å; A891-Y912 WeakPolarHBondContact CA-O 3.38Å; I892-Y912 PolarHBondContact N-O 3.17Å; I892-Y912 PolarHBondContact O-N 3.5Å; K895-Y912 HydrophobicContact CD-CD2 4.24Å; Y912-M914 HydrophobicContact CE1-CB 4.13Å
913	E	96.1	Very high	92.9	Very high	90 Å²	90	52.6 Å²	52.6	42%	0.421	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.5	174.9	-174.1	-170.6	-176.3	0	0	109.5	R915	E913-R915 HydrophobicContact CG-CG 4.11Å; E913-R915 PolarHBondContact O-N 2.99Å; E913-R915 VanDerWaalsContact O-N 3.16Å; E913-R915 IonicContact OE2-CZ 2.69Å; E913-R915 VanDerWaalsContact OE2-CZ 3.27Å; E913-R915 IonicContact OE2-NE 3.4Å; E913-R915 PolarHBondContact OE2-NE 2.78Å; E913-R915 IonicContact OE2-NH2 3.09Å; E913-R915 PolarHBondContact OE2-NH2 3.28Å
914	M	94.8	Very high	92.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.			trans	-76.5	100.4	173.2	-169.3	-177.8	-55.9	0	0	109.6	V809 T813 M838 F886 T887 V888 G889 L890 Y912	V809-M914 HydrophobicContact CG1-SD 4.05Å; T813-M914 HydrophobicContact CG2-CE 3.84Å; T813-M914 HydrophobicContact CG2-SD 3.85Å; M838-M914 HydrophobicContact CE-CE 4.28Å; F886-M914 HydrophobicContact CD1-CE 3.9Å; F886-M914 HydrophobicContact CD2-CE 3.91Å; F886-M914 HydrophobicContact CE1-CE 3.76Å; F886-M914 HydrophobicContact CE2-CE 3.77Å; F886-M914 HydrophobicContact CG-CE 3.99Å; F886-M914 HydrophobicContact CZ-CE 3.7Å; T887-M914 VanDerWaalsContact O-SD 3.33Å; V888-M914 WeakPolarHBondContact CA-O 3.27Å; G889-M914 PolarHBondContact N-O 2.86Å; L890-M914 HydrophobicContact CB-CB 4.33Å; L890-M914 HydrophobicContact CD2-CE 4.39Å; L890-M914 PolarHBondContact O-N 3.3Å; Y912-M914 HydrophobicContact CE1-CB 4.13Å
915	R	90.8	Very high	92.6	Very high	209 Å²	209	59.7 Å²	59.7	79%	0.789	30%	0.296	S	S	*	.			trans	-94.9	0	176	-59.6	179.4	-174.4	174.7	1.3	113.1	R810 E913	R810-R915 VanDerWaalsContact CZ-O 3.28Å; R810-R915 PolarHBondContact NE-O 2.87Å; R810-R915 PolarHBondContact NH2-O 3.48Å; E913-R915 HydrophobicContact CG-CG 4.11Å; E913-R915 PolarHBondContact O-N 2.99Å; E913-R915 VanDerWaalsContact O-N 3.16Å; E913-R915 IonicContact OE2-CZ 2.69Å; E913-R915 VanDerWaalsContact OE2-CZ 3.27Å; E913-R915 IonicContact OE2-NE 3.4Å; E913-R915 PolarHBondContact OE2-NE 2.78Å; E913-R915 IonicContact OE2-NH2 3.09Å; E913-R915 PolarHBondContact OE2-NH2 3.28Å

Retrieved 915 of 915 residues in 497.8 ms (Link to these results)

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