A0A087YQ70_POEFO Loading...

Toll-like receptor 1

AlphaFold DB , UniProt , Accession A0A087YQ70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 802 aa.

						>A0A087YQ70_POEFO|A0A087YQ70
MGPSTAFLWAAAVLVMLQMCTSTHDGIVDRSSRNLSSVPTDLPLAAEYIDLSCNHIHQLHKGEFKNTTLLRFLNMSWNGLELIDTETFHDTPLLENLDLSHNLLRNLSDQRYLSFTGNLRVLNMAWNKFENMTLGREFSLLRKLESLTLGAKVISLGDFKNIANVTLYCLTLSLEEELDYEANSLMDSHAEKIQVDLNGGKITQSELLADALSFFVEVEVRNISGGYQYVKTQLSKRAIISTRTLSVNNIVIDWDDLTQLINATLYTSIAQLSASDVAINKPPIKDTPLAETSSMQSFTASRAAVTSFFFSQEALYNFFINLPVEHCAIVETSLIHMTCPKKQSPILELDFSFCALSDSIFSRFEGQKTVECETLGNVQNLSLVGNNLKNLQVVSQRLQYMKSLRHLDLSINSFVYDGSPYCKWPPSITVMNLSSGGLTDNVFNCLPKGVETLDLQNNQISVIPQLVHKLLNLSSLNLNANRLRDLPVCDDFPKMTELLLKSNSLHAPSLRNLKRCPNLKILDASDNPFTCTCPLRHFIRLGIQTEYKSGHSGLELLKWPEGYHCIYPEAARNSTLEIFQIPEISCSASLLAATILVPSVVLIVSIFFLCRRLDVPWYMGMIWQWTRAKHRARMRQLRPEDLVGIEFHAFVSYSQHDADWVKNFLLLNLEGPAGGLRICHHEKDFVPGKTIMENIITCVEKSRRSVFLLSAHFIKSEWCHYELYFASHQRLSQGSDSLVLVLLEPLPQYLIPSKYYQLKSMMKRHTYLEWPQDKAKHRLFWANLRAALQADLPSKLVAETEE
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.8	Very low	41.1	Very low	252 Å²	252	113.8 Å²	113.8	100%	1.241	65%	0.653	S	S	*	*				0	111.6	0	-78.8	157.3	126.8	0	0	106.9
2	G	35.7	Very low	41.1	Very low	45 Å²	45	108.5 Å²	108.5	46%	0.464	63%	0.633	S	S	.	*			trans	-83.8	164.2	-165.4	0	0	0	0	0	114.2	S4	G2-S4 PolarHBondContact O-N 2.61Å
3	P	40	Very low	41.2	Very low	122 Å²	122	105.8 Å²	105.8	79%	0.792	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	12.9	-171.4	9.8	4.2	0	0	0	114.8
4	S	43	Very low	40.9	Very low	83 Å²	83	106.1 Å²	106.1	58%	0.58	62%	0.616	S	S	*	*	H	α-helix	trans	-83	-15.2	-176.4	52.4	0	0	0	0	114.3	G2	G2-S4 PolarHBondContact O-N 2.61Å
5	T	43.1	Very low	40.8	Very low	94 Å²	94	104.1 Å²	104.1	58%	0.577	61%	0.606	S	S	*	*	H	α-helix	trans	-81.8	-25.8	-179.6	52.6	0	0	0	0	113.3	W9	T5-W9 PolarHBondContact O-N 2.71Å
6	A	41.8	Very low	40.5	Very low	68 Å²	68	106.8 Å²	106.8	56%	0.562	61%	0.613	S	S	*	*	H	α-helix	trans	-73	-33.5	179.8	0	0	0	0	0	112.9	A10	A6-A10 WeakPolarHBondContact O-CB 3Å; A6-A10 PolarHBondContact O-N 2.96Å; A6-A10 VanDerWaalsContact O-N 3.08Å
7	F	45.1	Very low	40.2	Very low	170 Å²	170	107.6 Å²	107.6	75%	0.746	61%	0.614	S	S	*	*	H	α-helix	trans	-73	-34.3	176.2	-106.8	-86.9	0	0	0	112.8	A11	F7-A11 VanDerWaalsContact O-CB 3.31Å; F7-A11 WeakPolarHBondContact O-CB 3.29Å; F7-A11 PolarHBondContact O-N 3.5Å
8	L	40.7	Very low	39.8	Very low	124 Å²	124	109.3 Å²	109.3	65%	0.649	62%	0.616	S	S	*	*	H	α-helix	trans	-70.7	-33.9	176	-81.9	159	0	0	0	112.1	A12	L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 2.89Å
9	W	38.9	Very low	39.3	Very low	191 Å²	191	111.3 Å²	111.3	72%	0.723	62%	0.622	S	S	*	*	H	α-helix	trans	-72.6	-39.8	173	-90.8	88.8	0	0	0	112.8	T5 A12 V13	T5-W9 PolarHBondContact O-N 2.71Å; W9-A12 PolarHBondContact O-N 3.24Å; W9-V13 WeakPolarHBondContact O-CB 3.39Å; W9-V13 VanDerWaalsContact O-CG2 3.26Å; W9-V13 WeakPolarHBondContact O-CG2 3.37Å; W9-V13 PolarHBondContact O-N 3.11Å
10	A	39.7	Very low	39.1	Very low	52 Å²	52	111.4 Å²	111.4	43%	0.43	63%	0.628	S	S	.	*	H	α-helix	trans	-66.7	-38.4	175.6	0	0	0	0	0	112.4	A6 L14	A6-A10 WeakPolarHBondContact O-CB 3Å; A6-A10 PolarHBondContact O-N 2.96Å; A6-A10 VanDerWaalsContact O-N 3.08Å; A10-L14 WeakPolarHBondContact O-CB 3.38Å; A10-L14 PolarHBondContact O-N 3.18Å
11	A	40.9	Very low	39	Very low	51 Å²	51	111.1 Å²	111.1	42%	0.421	63%	0.63	S	S	.	*	H	α-helix	trans	-70.3	-36.9	174.4	0	0	0	0	0	112.4	F7 L14 V15	F7-A11 VanDerWaalsContact O-CB 3.31Å; F7-A11 WeakPolarHBondContact O-CB 3.29Å; F7-A11 PolarHBondContact O-N 3.5Å; A11-L14 PolarHBondContact O-N 3.26Å; A11-V15 WeakPolarHBondContact O-CB 3.28Å; A11-V15 WeakPolarHBondContact O-CG2 3.22Å; A11-V15 PolarHBondContact O-N 2.9Å
12	A	40.4	Very low	38.6	Very low	50 Å²	50	103.8 Å²	103.8	41%	0.413	60%	0.603	S	S	.	*	H	α-helix	trans	-67.2	-36	174.3	0	0	0	0	0	112.3	L8 W9 M16	L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 2.89Å; W9-A12 PolarHBondContact O-N 3.24Å; A12-M16 WeakPolarHBondContact O-CB 3.15Å; A12-M16 WeakPolarHBondContact O-CG 3.37Å; A12-M16 PolarHBondContact O-N 2.8Å
13	V	42.7	Very low	39	Very low	74 Å²	74	106.5 Å²	106.5	45%	0.448	61%	0.611	S	S	.	*	H	α-helix	trans	-70.7	-38.4	174.9	171.5	0	0	0	0	111.4	W9 M16 L17	W9-V13 WeakPolarHBondContact O-CB 3.39Å; W9-V13 VanDerWaalsContact O-CG2 3.26Å; W9-V13 WeakPolarHBondContact O-CG2 3.37Å; W9-V13 PolarHBondContact O-N 3.11Å; V13-M16 PolarHBondContact O-N 3.01Å; V13-L17 HydrophobicContact CG1-CD1 3.87Å; V13-L17 WeakPolarHBondContact O-CB 3.45Å; V13-L17 WeakPolarHBondContact O-CD1 3.47Å; V13-L17 WeakPolarHBondContact O-CG 3.23Å; V13-L17 PolarHBondContact O-N 3.17Å
14	L	36.9	Very low	39.3	Very low	110 Å²	110	107.7 Å²	107.7	58%	0.576	61%	0.605	S	S	*	*	H	α-helix	trans	-68.2	-36.7	173.5	-98.6	142.8	0	0	0	113.1	A10 A11 L17 Q18	A10-L14 WeakPolarHBondContact O-CB 3.38Å; A10-L14 PolarHBondContact O-N 3.18Å; A11-L14 PolarHBondContact O-N 3.26Å; L14-L17 PolarHBondContact O-N 3.19Å; L14-Q18 WeakPolarHBondContact O-CB 3.47Å; L14-Q18 PolarHBondContact O-N 3.42Å
15	V	39.3	Very low	40.2	Very low	76 Å²	76	110.2 Å²	110.2	46%	0.461	61%	0.613	S	S	.	*	H	α-helix	trans	-73.6	-34.4	174.4	172.5	0	0	0	0	111.5	A11 Q18 M19	A11-V15 WeakPolarHBondContact O-CB 3.28Å; A11-V15 WeakPolarHBondContact O-CG2 3.22Å; A11-V15 PolarHBondContact O-N 2.9Å; V15-Q18 PolarHBondContact O-N 3.37Å; V15-M19 HydrophobicContact CG1-CG 4.36Å; V15-M19 WeakPolarHBondContact O-CB 3.28Å; V15-M19 WeakPolarHBondContact O-CG 3.44Å; V15-M19 PolarHBondContact O-N 3.42Å
16	M	35.3	Very low	42	Very low	146 Å²	146	106.6 Å²	106.6	72%	0.719	59%	0.594	S	S	*	*	H	α-helix	trans	-68.1	-34.8	170.9	-76.8	-74.4	-176.1	0	0	112.2	A12 V13	A12-M16 WeakPolarHBondContact O-CB 3.15Å; A12-M16 WeakPolarHBondContact O-CG 3.37Å; A12-M16 PolarHBondContact O-N 2.8Å; V13-M16 PolarHBondContact O-N 3.01Å
17	L	35.8	Very low	44.5	Very low	122 Å²	122	107.6 Å²	107.6	64%	0.639	59%	0.589	S	S	*	*	H	α-helix	trans	-70.8	-28.3	171.5	-86.4	152	0	0	0	112.7	V13 L14	V13-L17 HydrophobicContact CG1-CD1 3.87Å; V13-L17 WeakPolarHBondContact O-CB 3.45Å; V13-L17 WeakPolarHBondContact O-CD1 3.47Å; V13-L17 WeakPolarHBondContact O-CG 3.23Å; V13-L17 PolarHBondContact O-N 3.17Å; L14-L17 PolarHBondContact O-N 3.19Å
18	Q	33.9	Very low	46.8	Very low	138 Å²	138	99.9 Å²	99.9	65%	0.645	56%	0.556	S	S	*	*	H	α-helix	trans	-85.7	-18	174.4	-87.6	175.9	-46.6	0	0	114.4	L14 V15 C20 T21	L14-Q18 WeakPolarHBondContact O-CB 3.47Å; L14-Q18 PolarHBondContact O-N 3.42Å; V15-Q18 PolarHBondContact O-N 3.37Å; Q18-C20 VanDerWaalsContact C-N 3.28Å; Q18-T21 PolarHBondContact O-OG1 3.34Å
19	M	30.6	Very low	49.4	Very low	147 Å²	147	98 Å²	98	72%	0.724	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	0.3	172.2	-71.6	-106.8	170	0	0	113.3	V15	V15-M19 HydrophobicContact CG1-CG 4.36Å; V15-M19 WeakPolarHBondContact O-CB 3.28Å; V15-M19 WeakPolarHBondContact O-CG 3.44Å; V15-M19 PolarHBondContact O-N 3.42Å
20	C	34.9	Very low	52.1	Low	112 Å²	112	91.9 Å²	91.9	76%	0.757	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	13	170.5	-105.9	0	0	0	0	113.8	Q18	Q18-C20 VanDerWaalsContact C-N 3.28Å
21	T	36.8	Very low	54.8	Low	107 Å²	107	90.9 Å²	90.9	66%	0.656	51%	0.512	S	S	*	.			trans	-124.5	58.3	172.6	56.7	0	0	0	0	111	Q18	Q18-T21 PolarHBondContact O-OG1 3.34Å
22	S	35.9	Very low	57.4	Low	97 Å²	97	92.6 Å²	92.6	68%	0.678	52%	0.521	S	S	*	.			trans	-114.2	74.1	150.1	68.1	0	0	0	0	107.3	H24	S22-H24 VanDerWaalsContact C-N 3.34Å; S22-H24 PolarHBondContact O-N 3.29Å
23	T	42.4	Very low	60	Low	103 Å²	103	96.6 Å²	96.6	63%	0.632	53%	0.526	S	S	*	.			trans	-60	105.3	163.4	44.4	0	0	0	0	106	D25	T23-D25 PolarHBondContact O-N 2.69Å; T23-D25 VanDerWaalsContact O-N 3.16Å
24	H	47.9	Very low	62.5	Low	146 Å²	146	99 Å²	99	68%	0.676	54%	0.536	S	S	*	.			trans	-47.7	122.4	152.4	-85.7	-83.7	0	0	0	105.9	S22 G26 I27	S22-H24 VanDerWaalsContact C-N 3.34Å; S22-H24 PolarHBondContact O-N 3.29Å; H24-G26 PolarHBondContact O-N 3.14Å; H24-I27 HydrophobicContact CB-CD1 4.37Å; H24-I27 HydrophobicContact CB-CG1 4.43Å; H24-I27 PolarHBondContact O-N 3.25Å
25	D	60.9	Low	65.3	Low	137 Å²	137	95.6 Å²	95.6	73%	0.733	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-7.6	-170	-86.3	-31.6	0	0	0	114.9	T23	T23-D25 PolarHBondContact O-N 2.69Å; T23-D25 VanDerWaalsContact O-N 3.16Å
26	G	82.1	Confident	68	Low	17 Å²	17	96.3 Å²	96.3	18%	0.175	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-5.6	174.2	0	0	0	0	0	117.3	H24 A45 E47 Y48	H24-G26 PolarHBondContact O-N 3.14Å; G26-A45 VanDerWaalsContact CA-O 3.3Å; G26-A45 WeakPolarHBondContact CA-O 3.23Å; G26-E47 PolarHBondContact O-N 2.87Å; G26-Y48 PolarHBondContact O-N 3.14Å
27	I	93.3	Very high	70.9	Confident	90 Å²	90	92.4 Å²	92.4	46%	0.462	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.4	179.6	-57.2	177.1	0	0	0	110.2	H24 Y48	H24-I27 HydrophobicContact CB-CD1 4.37Å; H24-I27 HydrophobicContact CB-CG1 4.43Å; H24-I27 PolarHBondContact O-N 3.25Å; I27-Y48 HydrophobicContact CG2-CD1 3.79Å; I27-Y48 HydrophobicContact CG2-CE1 4.47Å; I27-Y48 HydrophobicContact CG2-CG 4.35Å
28	V	94.4	Very high	73.7	Confident	8 Å²	8	87 Å²	87	5%	0.048	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	106.1	-176.5	-176.6	0	0	0	0	109.8	R30 L42 P43 A46 Y48 I49 D50	V28-R30 HydrophobicContact CG1-CG 4.01Å; V28-L42 HydrophobicContact CG1-CD2 4.08Å; V28-P43 HydrophobicContact CG2-CG 3.49Å; V28-P43 VanDerWaalsContact CG2-CG 3.49Å; V28-A46 HydrophobicContact CG2-CB 3.79Å; V28-Y48 PolarHBondContact N-O 2.59Å; V28-I49 HydrophobicContact CB-CG1 4.16Å; V28-I49 WeakPolarHBondContact O-CA 3.29Å; V28-D50 PolarHBondContact O-N 2.82Å
29	D	94.9	Very high	76.5	Confident	85 Å²	85	81.5 Å²	81.5	46%	0.455	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.1	171.9	-173.6	-2.9	0	0	0	110.9	S31 R33	D29-S31 WeakPolarHBondContact OD1-CB 3.49Å; D29-S31 PolarHBondContact OD1-N 2.85Å; D29-S31 PolarHBondContact OD1-OG 3.34Å; D29-R33 PolarHBondContact O-NH2 3.05Å; D29-R33 VanDerWaalsContact O-NH2 3.13Å
30	R	94.7	Very high	79.4	Confident	62 Å²	62	81 Å²	81	23%	0.234	47%	0.467	C	S	.	.			trans	-131.5	21.6	175.2	-67	-65.9	-175.6	-85.8	-1.8	111.1	V28 L35 D50 L51 N54	V28-R30 HydrophobicContact CG1-CG 4.01Å; R30-L35 HydrophobicContact CB-CD1 4.1Å; R30-D50 CarbonylContact C-O 3.55Å; R30-D50 VanDerWaalsContact C-O 3.26Å; R30-D50 VanDerWaalsContact CA-O 3.28Å; R30-D50 WeakPolarHBondContact CA-O 3.29Å; R30-D50 WeakPolarHBondContact CB-O 3.33Å; R30-D50 PolarHBondContact N-O 3.22Å; R30-L51 HydrophobicContact CB-CD2 3.59Å; R30-L51 HydrophobicContact CB-CG 4.5Å; R30-L51 HydrophobicContact CG-CD2 4.37Å; R30-N54 PolarHBondContact O-ND2 3.23Å
31	S	96	Very high	82	Confident	30 Å²	30	80.8 Å²	80.8	21%	0.21	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	150.5	177.7	66.7	0	0	0	0	112.2	D29 R33 D50 S52	D29-S31 WeakPolarHBondContact OD1-CB 3.49Å; D29-S31 PolarHBondContact OD1-N 2.85Å; D29-S31 PolarHBondContact OD1-OG 3.34Å; S31-R33 WeakPolarHBondContact O-CG 3.32Å; S31-R33 PolarHBondContact O-N 2.92Å; S31-R33 VanDerWaalsContact O-N 3.15Å; S31-D50 PolarHBondContact N-O 3.45Å; S31-S52 CarbonylContact C-O 3.48Å; S31-S52 WeakPolarHBondContact CA-O 3.42Å
32	S	96.2	Very high	84.6	Confident	87 Å²	87	76.2 Å²	76.2	61%	0.608	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	33.4	174.5	-53.8	0	0	0	0	114.9	S52 C53	S32-S52 PolarHBondContact N-O 3.06Å; S32-C53 VanDerWaalsContact CA-O 3.31Å; S32-C53 WeakPolarHBondContact CA-O 3.4Å; S32-C53 WeakPolarHBondContact OG-CB 3.38Å
33	R	95.8	Very high	87.3	Confident	135 Å²	135	74 Å²	74	51%	0.509	41%	0.414	S	S	.	.	S	Bend	trans	-103.5	12.5	-177.4	-66.6	-163.8	-175.9	-163.1	2	113.8	D29 S31 L35 N54	D29-R33 PolarHBondContact O-NH2 3.05Å; D29-R33 VanDerWaalsContact O-NH2 3.13Å; S31-R33 WeakPolarHBondContact O-CG 3.32Å; S31-R33 PolarHBondContact O-N 2.92Å; S31-R33 VanDerWaalsContact O-N 3.15Å; R33-L35 HydrophobicContact CB-CD1 4.17Å; R33-L35 HydrophobicContact CB-CD2 4.2Å; R33-L35 HydrophobicContact CB-CG 3.81Å; R33-L35 PolarHBondContact O-N 3.35Å; R33-N54 WeakPolarHBondContact CA-OD1 3.35Å; R33-N54 PolarHBondContact N-OD1 3.3Å
34	N	94.9	Very high	89.6	Confident	123 Å²	123	75 Å²	75	66%	0.658	41%	0.414	S	S	*	.			trans	57.3	32.6	179.4	-162.7	40.9	0	0	0	112	N54 H55	N34-N54 PolarHBondContact N-OD1 3.19Å; N34-H55 PolarHBondContact OD1-CD2 2.87Å; N34-H55 PolarHBondContact OD1-NE2 2.68Å
35	L	96	Very high	91.7	Very high	40 Å²	40	70.3 Å²	70.3	21%	0.209	40%	0.401	C	S	.	.			trans	-75.8	137	-177.4	-59.3	173.2	0	0	0	110.5	R30 R33 P39 L51 N54 H55 I56	R30-L35 HydrophobicContact CB-CD1 4.1Å; R33-L35 HydrophobicContact CB-CD1 4.17Å; R33-L35 HydrophobicContact CB-CD2 4.2Å; R33-L35 HydrophobicContact CB-CG 3.81Å; R33-L35 PolarHBondContact O-N 3.35Å; L35-P39 HydrophobicContact CD1-CG 3.86Å; L35-L51 HydrophobicContact CD1-CD2 3.9Å; L35-N54 HydrophobicContact CB-CB 4.11Å; L35-N54 PolarHBondContact N-OD1 2.9Å; L35-H55 CarbonylContact O-C 3.29Å; L35-H55 VanDerWaalsContact O-C 3.29Å; L35-H55 WeakPolarHBondContact O-CA 3.25Å; L35-H55 PolarHBondContact O-N 3.41Å; L35-I56 PolarHBondContact O-N 3.16Å
36	S	95.8	Very high	93.3	Very high	90 Å²	90	63.8 Å²	63.8	63%	0.629	37%	0.366	S	S	*	.	S	Bend	trans	-99.3	-10.2	174.3	55.6	0	0	0	0	113.8
37	S	95.3	Very high	94	Very high	65 Å²	65	67.4 Å²	67.4	46%	0.455	38%	0.379	S	S	.	.	S	Bend	trans	-152.5	163.7	179.7	52	0	0	0	0	110.6
38	V	95.3	Very high	94.2	Very high	9 Å²	9	67 Å²	67	6%	0.055	37%	0.372	C	S	.	.			trans	-65.6	128.6	175.6	-178.7	0	0	0	0	109.7	L42 L51 I56 L59 E63 F64	V38-L42 HydrophobicContact CG1-CD1 3.69Å; V38-L51 HydrophobicContact CG1-CD1 4.17Å; V38-L51 HydrophobicContact CG2-CD1 4.39Å; V38-I56 HydrophobicContact CG2-CD1 4.42Å; V38-L59 HydrophobicContact CG2-CD2 3.49Å; V38-L59 VanDerWaalsContact CG2-CD2 3.49Å; V38-E63 HydrophobicContact CB-CB 4.12Å; V38-E63 HydrophobicContact CB-CG 4.4Å; V38-E63 HydrophobicContact CG1-CB 4.3Å; V38-E63 HydrophobicContact CG2-CB 4.33Å; V38-F64 HydrophobicContact CG1-CE1 3.96Å; V38-F64 HydrophobicContact CG1-CZ 4.15Å; V38-F64 HydrophobicContact CG2-CE2 4.5Å; V38-F64 HydrophobicContact CG2-CZ 4.02Å
39	P	93.3	Very high	94.3	Very high	21 Å²	21	66.6 Å²	66.6	14%	0.136	37%	0.369	C	S	.	.			trans	-59.3	139.2	178.1	-23.7	33.6	0	0	0	112.6	L35 D41 L42 L51	L35-P39 HydrophobicContact CD1-CG 3.86Å; P39-D41 VanDerWaalsContact C-N 3.31Å; P39-D41 VanDerWaalsContact CB-OD1 3.24Å; P39-D41 WeakPolarHBondContact CB-OD1 3.46Å; P39-D41 PolarHBondContact O-N 3.14Å; P39-L42 WeakPolarHBondContact O-CG 3.5Å; P39-L51 HydrophobicContact CG-CD2 4.28Å
40	T	90.4	Very high	94.5	Very high	136 Å²	136	63.5 Å²	63.5	83%	0.834	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-12.2	-178.6	56.1	0	0	0	0	113.8
41	D	90.1	Very high	94.6	Very high	109 Å²	109	60.6 Å²	60.6	58%	0.583	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	23.3	-174.2	66.3	-37.1	0	0	0	113.3	P39	P39-D41 VanDerWaalsContact C-N 3.31Å; P39-D41 VanDerWaalsContact CB-OD1 3.24Å; P39-D41 WeakPolarHBondContact CB-OD1 3.46Å; P39-D41 PolarHBondContact O-N 3.14Å
42	L	91.4	Very high	94.7	Very high	11 Å²	11	59.7 Å²	59.7	6%	0.058	34%	0.336	C	S	.	.			trans	-62.2	134.4	176.7	-66.6	171.1	0	0	0	111.2	V28 V38 P39 I49 F64 T67	V28-L42 HydrophobicContact CG1-CD2 4.08Å; V38-L42 HydrophobicContact CG1-CD1 3.69Å; P39-L42 WeakPolarHBondContact O-CG 3.5Å; L42-I49 HydrophobicContact CD1-CD1 4.15Å; L42-I49 HydrophobicContact CD2-CD1 4.35Å; L42-F64 HydrophobicContact CD1-CD1 4.27Å; L42-F64 HydrophobicContact CD1-CE1 4.34Å; L42-T67 HydrophobicContact CB-CG2 3.65Å; L42-T67 HydrophobicContact CD1-CG2 4.2Å
43	P	91.1	Very high	94.8	Very high	51 Å²	51	58.4 Å²	58.4	33%	0.331	33%	0.326	S	S	.	.			trans	-73.4	145.3	-174.5	24.6	-27.4	0	0	0	112.5	V28 A45 A46	V28-P43 HydrophobicContact CG2-CG 3.49Å; V28-P43 VanDerWaalsContact CG2-CG 3.49Å; P43-A45 PolarHBondContact O-N 3.26Å; P43-A46 HydrophobicContact CG-CB 4.09Å; P43-A46 VanDerWaalsContact O-CB 3.25Å; P43-A46 WeakPolarHBondContact O-CB 3.36Å; P43-A46 PolarHBondContact O-N 2.89Å; P43-A46 VanDerWaalsContact O-N 3.08Å
44	L	91.4	Very high	94.9	Very high	123 Å²	123	52.1 Å²	52.1	64%	0.644	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.1	-179.8	-68.3	160.2	0	0	0	113.5	A46 N66	L44-A46 VanDerWaalsContact C-N 3.34Å; L44-N66 WeakPolarHBondContact CA-O 3.48Å; L44-N66 HydrophobicContact CD2-CB 4.14Å; L44-N66 WeakPolarHBondContact CD2-O 3.38Å
45	A	93.3	Very high	95	Very high	48 Å²	48	51 Å²	51	40%	0.397	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1	-180	0	0	0	0	0	113.6	G26 P43 E47	G26-A45 VanDerWaalsContact CA-O 3.3Å; G26-A45 WeakPolarHBondContact CA-O 3.23Å; P43-A45 PolarHBondContact O-N 3.26Å; A45-E47 PolarHBondContact O-N 3.23Å
46	A	93.9	Very high	95.1	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.283	C	S	.	.			trans	-62.3	120.1	-177.4	0	0	0	0	0	111.8	V28 P43 L44 I49 T67 L69 L70	V28-A46 HydrophobicContact CG2-CB 3.79Å; P43-A46 HydrophobicContact CG-CB 4.09Å; P43-A46 VanDerWaalsContact O-CB 3.25Å; P43-A46 WeakPolarHBondContact O-CB 3.36Å; P43-A46 PolarHBondContact O-N 2.89Å; P43-A46 VanDerWaalsContact O-N 3.08Å; L44-A46 VanDerWaalsContact C-N 3.34Å; A46-I49 HydrophobicContact CB-CD1 3.98Å; A46-I49 HydrophobicContact CB-CG1 3.99Å; A46-T67 HydrophobicContact CB-CG2 4.19Å; A46-L69 CarbonylContact O-C 3.53Å; A46-L70 PolarHBondContact O-N 3.02Å
47	E	96.3	Very high	95.1	Very high	93 Å²	93	49.4 Å²	49.4	44%	0.435	27%	0.274	S	S	.	.	S	Bend	trans	-105.5	-28.1	172.1	-63.4	-169.6	-168	0	0	111.8	G26 A45 L69 R71 F72	G26-E47 PolarHBondContact O-N 2.87Å; A45-E47 PolarHBondContact O-N 3.23Å; E47-L69 HydrophobicContact CG-CB 4.25Å; E47-R71 PolarHBondContact O-N 3.1Å; E47-F72 PolarHBondContact O-N 3.44Å
48	Y	97.4	Very high	95.1	Very high	80 Å²	80	50.3 Å²	50.3	31%	0.314	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.5	179.9	-176.2	-78.4	0	0	0	109.5	G26 I27 V28 D50 F72	G26-Y48 PolarHBondContact O-N 3.14Å; I27-Y48 HydrophobicContact CG2-CD1 3.79Å; I27-Y48 HydrophobicContact CG2-CE1 4.47Å; I27-Y48 HydrophobicContact CG2-CG 4.35Å; V28-Y48 PolarHBondContact N-O 2.59Å; Y48-D50 HydrophobicContact CE1-CB 4.07Å; Y48-F72 HydrophobicContact CD1-CD1 4.23Å; Y48-F72 HydrophobicContact CD2-CB 3.48Å; Y48-F72 VanDerWaalsContact CD2-CB 3.48Å; Y48-F72 AromaticContact CD2-CD1 3.25Å; Y48-F72 HydrophobicContact CD2-CD1 3.25Å; Y48-F72 HydrophobicContact CD2-CD2 4.13Å; Y48-F72 AromaticContact CD2-CE1 3.95Å; Y48-F72 HydrophobicContact CD2-CE1 3.95Å; Y48-F72 AromaticContact CD2-CG 3.35Å; Y48-F72 HydrophobicContact CD2-CG 3.35Å; Y48-F72 HydrophobicContact CE1-CD1 4.03Å; Y48-F72 HydrophobicContact CE1-CE1 4.02Å; Y48-F72 HydrophobicContact CE2-CB 3.99Å; Y48-F72 AromaticContact CE2-CD1 2.98Å; Y48-F72 HydrophobicContact CE2-CD1 2.98Å; Y48-F72 AromaticContact CE2-CD2 3.76Å; Y48-F72 HydrophobicContact CE2-CD2 3.76Å; Y48-F72 AromaticContact CE2-CE1 3.17Å; Y48-F72 HydrophobicContact CE2-CE1 3.17Å; Y48-F72 AromaticContact CE2-CE2 3.95Å; Y48-F72 HydrophobicContact CE2-CE2 3.95Å; Y48-F72 AromaticContact CE2-CG 3.3Å; Y48-F72 HydrophobicContact CE2-CG 3.3Å; Y48-F72 AromaticContact CE2-CZ 3.68Å; Y48-F72 HydrophobicContact CE2-CZ 3.68Å; Y48-F72 HydrophobicContact CG-CB 4.19Å; Y48-F72 AromaticContact CG-CD1 3.87Å; Y48-F72 HydrophobicContact CG-CD1 3.87Å; Y48-F72 HydrophobicContact CG-CG 4.26Å; Y48-F72 AromaticContact CZ-CD1 3.4Å; Y48-F72 AromaticContact CZ-CE1 3.19Å; Y48-F72 AromaticContact CZ-CZ 3.87Å; Y48-F72 WeakPolarHBondContact OH-CE1 3.23Å
49	I	97.2	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.1	177.5	-62.3	175.5	0	0	0	109.3	V28 L42 A46 L51 T67 L70 F72 L73 N74	V28-I49 HydrophobicContact CB-CG1 4.16Å; V28-I49 WeakPolarHBondContact O-CA 3.29Å; L42-I49 HydrophobicContact CD1-CD1 4.15Å; L42-I49 HydrophobicContact CD2-CD1 4.35Å; A46-I49 HydrophobicContact CB-CD1 3.98Å; A46-I49 HydrophobicContact CB-CG1 3.99Å; I49-L51 HydrophobicContact CG2-CD1 3.79Å; I49-L51 HydrophobicContact CG2-CG 3.77Å; I49-T67 HydrophobicContact CD1-CG2 3.77Å; I49-L70 HydrophobicContact CB-CD1 3.91Å; I49-L70 HydrophobicContact CD1-CD1 3.52Å; I49-L70 HydrophobicContact CD1-CD2 4.2Å; I49-L70 HydrophobicContact CD1-CG 4.44Å; I49-L70 HydrophobicContact CG1-CD1 3.51Å; I49-F72 PolarHBondContact N-O 3.41Å; I49-L73 HydrophobicContact CB-CD1 3.94Å; I49-L73 HydrophobicContact CG2-CD1 3.88Å; I49-L73 WeakPolarHBondContact O-CA 3.47Å; I49-N74 PolarHBondContact O-N 3.1Å
50	D	97.7	Very high	95.3	Very high	21 Å²	21	53.3 Å²	53.3	11%	0.112	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.2	169.3	-162.3	-30.2	0	0	0	110.6	V28 R30 S31 Y48 S52 N74	V28-D50 PolarHBondContact O-N 2.82Å; R30-D50 CarbonylContact C-O 3.55Å; R30-D50 VanDerWaalsContact C-O 3.26Å; R30-D50 VanDerWaalsContact CA-O 3.28Å; R30-D50 WeakPolarHBondContact CA-O 3.29Å; R30-D50 WeakPolarHBondContact CB-O 3.33Å; R30-D50 PolarHBondContact N-O 3.22Å; S31-D50 PolarHBondContact N-O 3.45Å; Y48-D50 HydrophobicContact CE1-CB 4.07Å; D50-S52 WeakPolarHBondContact OD1-CB 3.41Å; D50-S52 PolarHBondContact OD1-N 3.24Å; D50-S52 PolarHBondContact OD1-OG 3.48Å; D50-N74 HydrophobicContact CB-CB 4.49Å; D50-N74 PolarHBondContact OD1-ND2 2.79Å; D50-N74 PolarHBondContact OD2-ND2 2.96Å; D50-N74 VanDerWaalsContact OD2-ND2 3.07Å
51	L	97.6	Very high	95.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.			trans	-119.8	19.4	176.1	-73.3	165.7	0	0	0	111.4	R30 L35 V38 P39 I49 N54 I56 F64 L73 N74 M75 N78	R30-L51 HydrophobicContact CB-CD2 3.59Å; R30-L51 HydrophobicContact CB-CG 4.5Å; R30-L51 HydrophobicContact CG-CD2 4.37Å; L35-L51 HydrophobicContact CD1-CD2 3.9Å; V38-L51 HydrophobicContact CG1-CD1 4.17Å; V38-L51 HydrophobicContact CG2-CD1 4.39Å; P39-L51 HydrophobicContact CG-CD2 4.28Å; I49-L51 HydrophobicContact CG2-CD1 3.79Å; I49-L51 HydrophobicContact CG2-CG 3.77Å; L51-N54 PolarHBondContact O-ND2 2.99Å; L51-I56 HydrophobicContact CB-CD1 4.45Å; L51-F64 HydrophobicContact CD1-CE1 4.31Å; L51-F64 HydrophobicContact CD1-CZ 4.45Å; L51-L73 HydrophobicContact CD1-CD1 4.3Å; L51-N74 CarbonylContact C-O 3.54Å; L51-N74 WeakPolarHBondContact CA-O 3.24Å; L51-N74 PolarHBondContact N-O 3.43Å; L51-M75 HydrophobicContact CB-CE 4.39Å; L51-M75 HydrophobicContact CB-SD 3.63Å; L51-M75 HydrophobicContact CD1-SD 3.67Å; L51-M75 HydrophobicContact CG-SD 4.29Å; L51-N78 PolarHBondContact O-ND2 3.13Å
52	S	98.1	Very high	95.5	Very high	12 Å²	12	49 Å²	49	8%	0.084	25%	0.253	C	S	.	.			trans	-67.8	163.1	-177.9	62.6	0	0	0	0	113.8	S31 S32 D50 N54 N74 S76	S31-S52 CarbonylContact C-O 3.48Å; S31-S52 WeakPolarHBondContact CA-O 3.42Å; S32-S52 PolarHBondContact N-O 3.06Å; D50-S52 WeakPolarHBondContact OD1-CB 3.41Å; D50-S52 PolarHBondContact OD1-N 3.24Å; D50-S52 PolarHBondContact OD1-OG 3.48Å; S52-N54 VanDerWaalsContact C-N 3.3Å; S52-N54 PolarHBondContact O-N 3.03Å; S52-N54 PolarHBondContact O-ND2 2.89Å; S52-N74 PolarHBondContact N-O 3.45Å; S52-N74 PolarHBondContact OG-ND2 2.94Å; S52-S76 CarbonylContact C-O 3.5Å; S52-S76 WeakPolarHBondContact CA-O 3.34Å; S52-S76 VanDerWaalsContact CB-O 3.27Å; S52-S76 WeakPolarHBondContact CB-O 2.85Å; S52-S76 WeakPolarHBondContact CB-OG 3.41Å
53	C	97.7	Very high	95.6	Very high	59 Å²	59	50.5 Å²	50.5	40%	0.399	26%	0.26	S	S	.	.	S	Bend	trans	57.1	41	176.6	-62	0	0	0	0	113.1	S32 S76 W77	S32-C53 VanDerWaalsContact CA-O 3.31Å; S32-C53 WeakPolarHBondContact CA-O 3.4Å; S32-C53 WeakPolarHBondContact OG-CB 3.38Å; C53-S76 PolarHBondContact N-O 3.19Å; C53-W77 WeakPolarHBondContact CA-O 3.49Å; C53-W77 PolarHBondContact N-O 3.23Å
54	N	98.1	Very high	95.8	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	25%	0.245	C	C	.	.	S	Bend	trans	-118.4	-169.3	176.9	-77.4	-60.8	0	0	0	110.1	R30 R33 N34 L35 L51 S52 I56 W77 N78	R30-N54 PolarHBondContact O-ND2 3.23Å; R33-N54 WeakPolarHBondContact CA-OD1 3.35Å; R33-N54 PolarHBondContact N-OD1 3.3Å; N34-N54 PolarHBondContact N-OD1 3.19Å; L35-N54 HydrophobicContact CB-CB 4.11Å; L35-N54 PolarHBondContact N-OD1 2.9Å; L51-N54 PolarHBondContact O-ND2 2.99Å; S52-N54 VanDerWaalsContact C-N 3.3Å; S52-N54 PolarHBondContact O-N 3.03Å; S52-N54 PolarHBondContact O-ND2 2.89Å; N54-I56 HydrophobicContact CB-CD1 4.48Å; N54-I56 HydrophobicContact CB-CG1 4.26Å; N54-W77 PolarHBondContact N-O 2.96Å; N54-N78 WeakPolarHBondContact CA-OD1 3.27Å; N54-N78 WeakPolarHBondContact CB-OD1 3.3Å; N54-N78 PolarHBondContact O-OD1 3.13Å
55	H	97.2	Very high	95.8	Very high	98 Å²	98	48.4 Å²	48.4	45%	0.454	24%	0.241	S	C	.	.			trans	-118.6	36.5	180	-56.9	-59.4	0	0	0	111.6	N34 L35 H57 N78	N34-H55 PolarHBondContact OD1-CD2 2.87Å; N34-H55 PolarHBondContact OD1-NE2 2.68Å; L35-H55 CarbonylContact O-C 3.29Å; L35-H55 VanDerWaalsContact O-C 3.29Å; L35-H55 WeakPolarHBondContact O-CA 3.25Å; L35-H55 PolarHBondContact O-N 3.41Å; H55-H57 PolarHBondContact O-CD2 3.1Å; H55-H57 VanDerWaalsContact O-CD2 3.24Å; H55-H57 PolarHBondContact O-N 3.19Å; H55-N78 PolarHBondContact N-OD1 3.1Å
56	I	97.6	Very high	95.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.239	C	C	.	.			trans	-76.7	121.7	177.7	-54.9	174.1	0	0	0	107.9	L35 V38 L51 N54 Q58 L59 M75 N78 G79 L80	L35-I56 PolarHBondContact O-N 3.16Å; V38-I56 HydrophobicContact CG2-CD1 4.42Å; L51-I56 HydrophobicContact CB-CD1 4.45Å; N54-I56 HydrophobicContact CB-CD1 4.48Å; N54-I56 HydrophobicContact CB-CG1 4.26Å; I56-Q58 WeakPolarHBondContact CG2-O 2.72Å; I56-L59 HydrophobicContact CG2-CD2 4.16Å; I56-M75 HydrophobicContact CB-CE 4.4Å; I56-M75 HydrophobicContact CD1-CE 3.8Å; I56-M75 HydrophobicContact CG2-CE 4.25Å; I56-N78 WeakPolarHBondContact CB-OD1 3.34Å; I56-N78 PolarHBondContact N-OD1 3.34Å; I56-G79 CarbonylContact O-C 3.29Å; I56-G79 VanDerWaalsContact O-C 3.29Å; I56-G79 PolarHBondContact O-N 3.17Å; I56-L80 HydrophobicContact CB-CD2 4.35Å; I56-L80 HydrophobicContact CG2-CD2 3.81Å; I56-L80 WeakPolarHBondContact O-CD2 3.32Å; I56-L80 PolarHBondContact O-N 3.22Å
57	H	96.6	Very high	95.7	Very high	98 Å²	98	49.5 Å²	49.5	45%	0.454	24%	0.24	S	C	.	.			trans	-100.8	-26.6	-175.8	-71	-69.4	0	0	0	114.2	H55 G79 L80 E81	H55-H57 PolarHBondContact O-CD2 3.1Å; H55-H57 VanDerWaalsContact O-CD2 3.24Å; H55-H57 PolarHBondContact O-N 3.19Å; H57-G79 WeakPolarHBondContact CA-O 3.39Å; H57-G79 PolarHBondContact ND1-O 3.33Å; H57-G79 VanDerWaalsContact ND1-O 3.11Å; H57-L80 WeakPolarHBondContact O-CA 3.22Å; H57-E81 PolarHBondContact O-N 2.61Å
58	Q	96.4	Very high	95.6	Very high	83 Å²	83	48.5 Å²	48.5	39%	0.388	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	148.3	-179.6	-59.9	-172.6	-11.7	0	0	109.7	I56 H60 L82	I56-Q58 WeakPolarHBondContact CG2-O 2.72Å; Q58-H60 PolarHBondContact OE1-CE1 3.07Å; Q58-L82 VanDerWaalsContact CA-O 3.25Å; Q58-L82 WeakPolarHBondContact CA-O 3.25Å; Q58-L82 HydrophobicContact CG-CB 4.09Å
59	L	96.5	Very high	95.6	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.8	167.9	-67.6	178.9	0	0	0	109.9	V38 I56 E63 F64 M75 L80 L82 I83 D84 T87 F88	V38-L59 HydrophobicContact CG2-CD2 3.49Å; V38-L59 VanDerWaalsContact CG2-CD2 3.49Å; I56-L59 HydrophobicContact CG2-CD2 4.16Å; L59-E63 VanDerWaalsContact CA-OE2 3.32Å; L59-E63 WeakPolarHBondContact CA-OE2 3.38Å; L59-E63 WeakPolarHBondContact CD2-OE2 3.27Å; L59-F64 HydrophobicContact CD1-CE2 4.46Å; L59-F64 HydrophobicContact CD2-CE2 4.33Å; L59-M75 HydrophobicContact CD1-CE 4.26Å; L59-M75 HydrophobicContact CD2-CE 3.77Å; L59-M75 HydrophobicContact CG-CE 4.37Å; L59-L80 HydrophobicContact CD1-CD1 4.37Å; L59-L80 HydrophobicContact CD2-CD2 4.45Å; L59-L80 HydrophobicContact CG-CD2 3.91Å; L59-L82 PolarHBondContact N-O 3.44Å; L59-I83 HydrophobicContact CB-CB 4.49Å; L59-I83 HydrophobicContact CB-CG1 4.37Å; L59-I83 HydrophobicContact CB-CG2 4.14Å; L59-I83 HydrophobicContact CD1-CD1 4.39Å; L59-I83 HydrophobicContact CD1-CG1 4.2Å; L59-I83 HydrophobicContact CD1-CG2 4.3Å; L59-I83 HydrophobicContact CG-CG1 4.49Å; L59-D84 WeakPolarHBondContact O-CB 3.36Å; L59-D84 PolarHBondContact O-N 2.71Å; L59-T87 HydrophobicContact CB-CG2 3.84Å; L59-T87 HydrophobicContact CD1-CG2 4.16Å; L59-F88 HydrophobicContact CD1-CZ 4.35Å
60	H	95.4	Very high	95.6	Very high	93 Å²	93	48 Å²	48	43%	0.431	24%	0.243	S	C	.	.			trans	-114.2	156.2	-175.6	-61	-61.3	0	0	0	112	Q58 G62 E63	Q58-H60 PolarHBondContact OE1-CE1 3.07Å; H60-G62 PolarHBondContact O-N 2.98Å; H60-E63 HydrophobicContact CB-CG 4.18Å; H60-E63 IonicContact CD2-OE1 3.62Å; H60-E63 VanDerWaalsContact N-CD 3.33Å; H60-E63 PolarHBondContact N-OE2 3.04Å; H60-E63 WeakPolarHBondContact O-CG 3.46Å; H60-E63 PolarHBondContact O-N 3.01Å
61	K	94.2	Very high	95.5	Very high	132 Å²	132	51.2 Å²	51.2	57%	0.574	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	131.1	173.4	178.4	-179.9	174.8	169.5	0	111.3	E86	K61-E86 HydrophobicContact CB-CB 4.46Å; K61-E86 HydrophobicContact CD-CB 4.01Å; K61-E86 VanDerWaalsContact CD-OE2 3.29Å; K61-E86 WeakPolarHBondContact CD-OE2 3.33Å; K61-E86 WeakPolarHBondContact CE-OE2 3.44Å; K61-E86 HydrophobicContact CG-CB 4.01Å; K61-E86 IonicContact NZ-OE2 2.61Å; K61-E86 PolarHBondContact NZ-OE2 2.99Å
62	G	90.9	Very high	95.6	Very high	21 Å²	21	53.5 Å²	53.5	22%	0.216	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	5.4	172	0	0	0	0	0	115.4	H60 F64 K65	H60-G62 PolarHBondContact O-N 2.98Å; G62-F64 PolarHBondContact O-N 3.07Å; G62-K65 WeakPolarHBondContact O-CB 3.38Å; G62-K65 WeakPolarHBondContact O-CD 3.42Å; G62-K65 VanDerWaalsContact O-CG 3.28Å; G62-K65 WeakPolarHBondContact O-CG 3.46Å; G62-K65 PolarHBondContact O-N 2.99Å
63	E	93.4	Very high	95.6	Very high	44 Å²	44	52.9 Å²	52.9	21%	0.206	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.5	173.6	-73	-178.5	148.7	0	0	112.5	V38 L59 H60	V38-E63 HydrophobicContact CB-CB 4.12Å; V38-E63 HydrophobicContact CB-CG 4.4Å; V38-E63 HydrophobicContact CG1-CB 4.3Å; V38-E63 HydrophobicContact CG2-CB 4.33Å; L59-E63 VanDerWaalsContact CA-OE2 3.32Å; L59-E63 WeakPolarHBondContact CA-OE2 3.38Å; L59-E63 WeakPolarHBondContact CD2-OE2 3.27Å; H60-E63 HydrophobicContact CB-CG 4.18Å; H60-E63 IonicContact CD2-OE1 3.62Å; H60-E63 VanDerWaalsContact N-CD 3.33Å; H60-E63 PolarHBondContact N-OE2 3.04Å; H60-E63 WeakPolarHBondContact O-CG 3.46Å; H60-E63 PolarHBondContact O-N 3.01Å
64	F	94.8	Very high	95.6	Very high	1 Å²	1	51 Å²	51	0%	0.004	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	16.7	178.3	-60.6	-73.7	0	0	0	113.8	V38 L42 L51 L59 G62 N66 T67 L70 L73 T87 F88 T91	V38-F64 HydrophobicContact CG1-CE1 3.96Å; V38-F64 HydrophobicContact CG1-CZ 4.15Å; V38-F64 HydrophobicContact CG2-CE2 4.5Å; V38-F64 HydrophobicContact CG2-CZ 4.02Å; L42-F64 HydrophobicContact CD1-CD1 4.27Å; L42-F64 HydrophobicContact CD1-CE1 4.34Å; L51-F64 HydrophobicContact CD1-CE1 4.31Å; L51-F64 HydrophobicContact CD1-CZ 4.45Å; L59-F64 HydrophobicContact CD1-CE2 4.46Å; L59-F64 HydrophobicContact CD2-CE2 4.33Å; G62-F64 PolarHBondContact O-N 3.07Å; F64-N66 PolarHBondContact O-N 3.49Å; F64-N66 VanDerWaalsContact O-N 3.07Å; F64-T67 WeakPolarHBondContact CB-OG1 3.4Å; F64-T67 PolarHBondContact O-N 3.15Å; F64-T67 PolarHBondContact O-OG1 3.21Å; F64-L70 HydrophobicContact CD1-CD2 4.2Å; F64-L73 HydrophobicContact CE1-CD1 3.99Å; F64-L73 HydrophobicContact CE1-CD2 4.13Å; F64-L73 HydrophobicContact CE2-CD2 4.16Å; F64-L73 HydrophobicContact CZ-CD1 4.16Å; F64-L73 HydrophobicContact CZ-CD2 3.74Å; F64-T87 HydrophobicContact CD2-CG2 3.96Å; F64-T87 HydrophobicContact CE2-CG2 3.96Å; F64-F88 HydrophobicContact CD2-CE1 4.38Å; F64-F88 HydrophobicContact CE2-CE1 4.2Å; F64-T91 HydrophobicContact CB-CG2 3.53Å; F64-T91 HydrophobicContact CG-CG2 4.38Å
65	K	92.6	Very high	95.6	Very high	129 Å²	129	50.8 Å²	50.8	56%	0.561	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.1	-175.5	71.3	-175.6	179.5	-176.4	0	114.5	G62 D90	G62-K65 WeakPolarHBondContact O-CB 3.38Å; G62-K65 WeakPolarHBondContact O-CD 3.42Å; G62-K65 VanDerWaalsContact O-CG 3.28Å; G62-K65 WeakPolarHBondContact O-CG 3.46Å; G62-K65 PolarHBondContact O-N 2.99Å; K65-D90 WeakPolarHBondContact CB-OD2 3.5Å
66	N	90.8	Very high	95.6	Very high	69 Å²	69	46.6 Å²	46.6	37%	0.369	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-6.2	-179.1	-71.5	-10.6	0	0	0	112.3	L44 F64	L44-N66 WeakPolarHBondContact CA-O 3.48Å; L44-N66 HydrophobicContact CD2-CB 4.14Å; L44-N66 WeakPolarHBondContact CD2-O 3.38Å; F64-N66 PolarHBondContact O-N 3.49Å; F64-N66 VanDerWaalsContact O-N 3.07Å
67	T	93.9	Very high	95.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	25%	0.252	C	S	.	.			trans	-109.8	56.3	-173.9	56.6	0	0	0	0	110.8	L42 A46 I49 F64 L69 L70	L42-T67 HydrophobicContact CB-CG2 3.65Å; L42-T67 HydrophobicContact CD1-CG2 4.2Å; A46-T67 HydrophobicContact CB-CG2 4.19Å; I49-T67 HydrophobicContact CD1-CG2 3.77Å; F64-T67 WeakPolarHBondContact CB-OG1 3.4Å; F64-T67 PolarHBondContact O-N 3.15Å; F64-T67 PolarHBondContact O-OG1 3.21Å; T67-L69 PolarHBondContact O-N 2.81Å; T67-L70 WeakPolarHBondContact O-CB 3.11Å; T67-L70 PolarHBondContact O-N 2.65Å; T67-L70 VanDerWaalsContact O-N 3.12Å
68	T	94.6	Very high	95.7	Very high	72 Å²	72	49.6 Å²	49.6	44%	0.442	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.7	-174.1	58.9	0	0	0	0	113.9
69	L	96.2	Very high	95.7	Very high	71 Å²	71	46.1 Å²	46.1	37%	0.372	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	2.8	177.6	-61.2	179.5	0	0	0	113.5	A46 E47 T67 R71 L93	A46-L69 CarbonylContact O-C 3.53Å; E47-L69 HydrophobicContact CG-CB 4.25Å; T67-L69 PolarHBondContact O-N 2.81Å; L69-R71 PolarHBondContact O-N 3.22Å; L69-L93 HydrophobicContact CD2-CD1 4.08Å
70	L	96.8	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.			trans	-60.5	123.2	-176	-172.1	62.5	0	0	0	111.6	A46 I49 F64 T67 F72 L73 T91 L93 L94	A46-L70 PolarHBondContact O-N 3.02Å; I49-L70 HydrophobicContact CB-CD1 3.91Å; I49-L70 HydrophobicContact CD1-CD1 3.52Å; I49-L70 HydrophobicContact CD1-CD2 4.2Å; I49-L70 HydrophobicContact CD1-CG 4.44Å; I49-L70 HydrophobicContact CG1-CD1 3.51Å; F64-L70 HydrophobicContact CD1-CD2 4.2Å; T67-L70 WeakPolarHBondContact O-CB 3.11Å; T67-L70 PolarHBondContact O-N 2.65Å; T67-L70 VanDerWaalsContact O-N 3.12Å; L70-F72 WeakPolarHBondContact CD1-O 3.37Å; L70-L73 HydrophobicContact CD2-CB 4.17Å; L70-L73 HydrophobicContact CD2-CD1 4.46Å; L70-L73 HydrophobicContact CD2-CD2 4.4Å; L70-T91 HydrophobicContact CB-CG2 4.18Å; L70-T91 HydrophobicContact CD2-CG2 4Å; L70-L93 CarbonylContact O-C 3.56Å; L70-L94 HydrophobicContact CD2-CD1 4.23Å; L70-L94 HydrophobicContact CG-CD1 4.03Å; L70-L94 WeakPolarHBondContact O-CA 3.27Å; L70-L94 PolarHBondContact O-N 3.36Å; L70-L94 VanDerWaalsContact O-N 3.1Å
71	R	97.5	Very high	95.7	Very high	87 Å²	87	46.4 Å²	46.4	33%	0.328	22%	0.222	S	C	.	.			trans	-112.1	-35	177.3	-69.6	175.6	171.1	-79.1	-7.1	112.2	E47 L69 L93 E95 N96	E47-R71 PolarHBondContact O-N 3.1Å; L69-R71 PolarHBondContact O-N 3.22Å; R71-L93 HydrophobicContact CG-CB 4.46Å; R71-E95 IonicContact NH1-OE1 2.73Å; R71-E95 PolarHBondContact NH1-OE1 3.33Å; R71-E95 IonicContact NH1-OE2 3.8Å; R71-E95 PolarHBondContact NH1-OE2 3.08Å; R71-E95 PolarHBondContact O-N 3.25Å; R71-N96 PolarHBondContact O-N 2.87Å
72	F	98.3	Very high	95.7	Very high	48 Å²	48	44.9 Å²	44.9	21%	0.211	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.6	-179.3	-178.9	-77.3	0	0	0	110.8	E47 Y48 I49 L70 N74 N96	E47-F72 PolarHBondContact O-N 3.44Å; Y48-F72 HydrophobicContact CD1-CD1 4.23Å; Y48-F72 HydrophobicContact CD2-CB 3.48Å; Y48-F72 VanDerWaalsContact CD2-CB 3.48Å; Y48-F72 AromaticContact CD2-CD1 3.25Å; Y48-F72 HydrophobicContact CD2-CD1 3.25Å; Y48-F72 HydrophobicContact CD2-CD2 4.13Å; Y48-F72 AromaticContact CD2-CE1 3.95Å; Y48-F72 HydrophobicContact CD2-CE1 3.95Å; Y48-F72 AromaticContact CD2-CG 3.35Å; Y48-F72 HydrophobicContact CD2-CG 3.35Å; Y48-F72 HydrophobicContact CE1-CD1 4.03Å; Y48-F72 HydrophobicContact CE1-CE1 4.02Å; Y48-F72 HydrophobicContact CE2-CB 3.99Å; Y48-F72 AromaticContact CE2-CD1 2.98Å; Y48-F72 HydrophobicContact CE2-CD1 2.98Å; Y48-F72 AromaticContact CE2-CD2 3.76Å; Y48-F72 HydrophobicContact CE2-CD2 3.76Å; Y48-F72 AromaticContact CE2-CE1 3.17Å; Y48-F72 HydrophobicContact CE2-CE1 3.17Å; Y48-F72 AromaticContact CE2-CE2 3.95Å; Y48-F72 HydrophobicContact CE2-CE2 3.95Å; Y48-F72 AromaticContact CE2-CG 3.3Å; Y48-F72 HydrophobicContact CE2-CG 3.3Å; Y48-F72 AromaticContact CE2-CZ 3.68Å; Y48-F72 HydrophobicContact CE2-CZ 3.68Å; Y48-F72 HydrophobicContact CG-CB 4.19Å; Y48-F72 AromaticContact CG-CD1 3.87Å; Y48-F72 HydrophobicContact CG-CD1 3.87Å; Y48-F72 HydrophobicContact CG-CG 4.26Å; Y48-F72 AromaticContact CZ-CD1 3.4Å; Y48-F72 AromaticContact CZ-CE1 3.19Å; Y48-F72 AromaticContact CZ-CZ 3.87Å; Y48-F72 WeakPolarHBondContact OH-CE1 3.23Å; I49-F72 PolarHBondContact N-O 3.41Å; L70-F72 WeakPolarHBondContact CD1-O 3.37Å; F72-N74 HydrophobicContact CE1-CB 3.58Å; F72-N74 HydrophobicContact CZ-CB 4.12Å; F72-N96 WeakPolarHBondContact CA-O 3.42Å; F72-N96 HydrophobicContact CB-CB 4.33Å; F72-N96 HydrophobicContact CD2-CB 3.39Å; F72-N96 HydrophobicContact CE2-CB 4.02Å; F72-N96 HydrophobicContact CG-CB 4.14Å
73	L	98.1	Very high	96	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119	174.7	-179	62.6	0	0	0	110.7	I49 L51 F64 L70 M75 F88 L94 N96 L97 D98	I49-L73 HydrophobicContact CB-CD1 3.94Å; I49-L73 HydrophobicContact CG2-CD1 3.88Å; I49-L73 WeakPolarHBondContact O-CA 3.47Å; L51-L73 HydrophobicContact CD1-CD1 4.3Å; F64-L73 HydrophobicContact CE1-CD1 3.99Å; F64-L73 HydrophobicContact CE1-CD2 4.13Å; F64-L73 HydrophobicContact CE2-CD2 4.16Å; F64-L73 HydrophobicContact CZ-CD1 4.16Å; F64-L73 HydrophobicContact CZ-CD2 3.74Å; L70-L73 HydrophobicContact CD2-CB 4.17Å; L70-L73 HydrophobicContact CD2-CD1 4.46Å; L70-L73 HydrophobicContact CD2-CD2 4.4Å; L73-M75 HydrophobicContact CD1-CG 4.22Å; L73-M75 HydrophobicContact CD1-SD 3.99Å; L73-M75 HydrophobicContact CD2-CG 3.99Å; L73-M75 HydrophobicContact CD2-SD 4.42Å; L73-M75 HydrophobicContact CG-CG 3.86Å; L73-M75 HydrophobicContact CG-SD 4.28Å; L73-F88 HydrophobicContact CD2-CE1 3.62Å; L73-F88 HydrophobicContact CD2-CZ 4.27Å; L73-L94 HydrophobicContact CB-CD1 3.86Å; L73-N96 PolarHBondContact N-O 3.41Å; L73-L97 HydrophobicContact CB-CD1 4.14Å; L73-L97 HydrophobicContact CD2-CD1 3.97Å; L73-L97 HydrophobicContact CG-CD1 4.2Å; L73-L97 WeakPolarHBondContact O-CA 3.48Å; L73-D98 PolarHBondContact O-N 2.97Å
74	N	98.4	Very high	96.1	Very high	18 Å²	18	45.4 Å²	45.4	10%	0.096	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.7	172	-179.4	9.9	0	0	0	110.4	I49 D50 L51 S52 F72 S76	I49-N74 PolarHBondContact O-N 3.1Å; D50-N74 HydrophobicContact CB-CB 4.49Å; D50-N74 PolarHBondContact OD1-ND2 2.79Å; D50-N74 PolarHBondContact OD2-ND2 2.96Å; D50-N74 VanDerWaalsContact OD2-ND2 3.07Å; L51-N74 CarbonylContact C-O 3.54Å; L51-N74 WeakPolarHBondContact CA-O 3.24Å; L51-N74 PolarHBondContact N-O 3.43Å; S52-N74 PolarHBondContact N-O 3.45Å; S52-N74 PolarHBondContact OG-ND2 2.94Å; F72-N74 HydrophobicContact CE1-CB 3.58Å; F72-N74 HydrophobicContact CZ-CB 4.12Å; N74-S76 VanDerWaalsContact OD1-CB 3.27Å; N74-S76 WeakPolarHBondContact OD1-CB 3.48Å; N74-S76 PolarHBondContact OD1-N 3.05Å; N74-S76 PolarHBondContact OD1-OG 2.87Å
75	M	97.7	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.			trans	-115.1	17.4	174.8	-62.5	-65	-56.4	0	0	111.4	L51 I56 L59 L73 N78 L80 D98 L99 N102	L51-M75 HydrophobicContact CB-CE 4.39Å; L51-M75 HydrophobicContact CB-SD 3.63Å; L51-M75 HydrophobicContact CD1-SD 3.67Å; L51-M75 HydrophobicContact CG-SD 4.29Å; I56-M75 HydrophobicContact CB-CE 4.4Å; I56-M75 HydrophobicContact CD1-CE 3.8Å; I56-M75 HydrophobicContact CG2-CE 4.25Å; L59-M75 HydrophobicContact CD1-CE 4.26Å; L59-M75 HydrophobicContact CD2-CE 3.77Å; L59-M75 HydrophobicContact CG-CE 4.37Å; L73-M75 HydrophobicContact CD1-CG 4.22Å; L73-M75 HydrophobicContact CD1-SD 3.99Å; L73-M75 HydrophobicContact CD2-CG 3.99Å; L73-M75 HydrophobicContact CD2-SD 4.42Å; L73-M75 HydrophobicContact CG-CG 3.86Å; L73-M75 HydrophobicContact CG-SD 4.28Å; M75-N78 PolarHBondContact O-ND2 3.15Å; M75-N78 VanDerWaalsContact O-ND2 3.15Å; M75-L80 HydrophobicContact CB-CD1 3.95Å; M75-L80 HydrophobicContact CE-CD1 4.06Å; M75-D98 CarbonylContact C-O 3.55Å; M75-D98 WeakPolarHBondContact CA-O 3.4Å; M75-D98 WeakPolarHBondContact CB-O 3.16Å; M75-D98 PolarHBondContact N-O 2.96Å; M75-L99 HydrophobicContact CB-CD2 4.04Å; M75-L99 HydrophobicContact CG-CD2 4.43Å; M75-N102 PolarHBondContact O-ND2 3.12Å
76	S	98.2	Very high	96.2	Very high	10 Å²	10	45.3 Å²	45.3	7%	0.07	22%	0.224	C	C	.	.			trans	-65.2	159.7	-176.8	64.9	0	0	0	0	112.6	S52 C53 N74 N78 D98 S100	S52-S76 CarbonylContact C-O 3.5Å; S52-S76 WeakPolarHBondContact CA-O 3.34Å; S52-S76 VanDerWaalsContact CB-O 3.27Å; S52-S76 WeakPolarHBondContact CB-O 2.85Å; S52-S76 WeakPolarHBondContact CB-OG 3.41Å; C53-S76 PolarHBondContact N-O 3.19Å; N74-S76 VanDerWaalsContact OD1-CB 3.27Å; N74-S76 WeakPolarHBondContact OD1-CB 3.48Å; N74-S76 PolarHBondContact OD1-N 3.05Å; N74-S76 PolarHBondContact OD1-OG 2.87Å; S76-N78 VanDerWaalsContact C-N 3.29Å; S76-N78 PolarHBondContact O-N 3.3Å; S76-N78 PolarHBondContact O-ND2 3.41Å; S76-N78 VanDerWaalsContact O-ND2 3.13Å; S76-D98 PolarHBondContact N-O 3.1Å; S76-S100 CarbonylContact C-O 3.54Å; S76-S100 WeakPolarHBondContact CA-O 3.26Å; S76-S100 WeakPolarHBondContact CB-O 3.14Å; S76-S100 WeakPolarHBondContact CB-OG 3.44Å
77	W	97.6	Very high	96.5	Very high	147 Å²	147	42 Å²	42	56%	0.557	21%	0.206	S	C	*	.	S	Bend	trans	53.5	46.6	177.6	-68.8	93.7	0	0	0	112.9	C53 N54 S100 H101	C53-W77 WeakPolarHBondContact CA-O 3.49Å; C53-W77 PolarHBondContact N-O 3.23Å; N54-W77 PolarHBondContact N-O 2.96Å; W77-S100 PolarHBondContact N-O 3.17Å; W77-H101 VanDerWaalsContact CA-O 3.25Å; W77-H101 WeakPolarHBondContact CA-O 3.19Å; W77-H101 HydrophobicContact CB-CB 4.42Å; W77-H101 AromaticContact CD1-CD2 3.95Å; W77-H101 HydrophobicContact CD2-CB 3.59Å; W77-H101 AromaticContact CD2-CG 3.76Å; W77-H101 AromaticContact CE2-CD2 3.54Å; W77-H101 AromaticContact CE2-CE1 3.82Å; W77-H101 AromaticContact CE2-CG 3.34Å; W77-H101 AromaticContact CE2-ND1 3.54Å; W77-H101 AromaticContact CE2-NE2 3.83Å; W77-H101 HydrophobicContact CE3-CB 4.05Å; W77-H101 HydrophobicContact CG-CB 3.75Å; W77-H101 AromaticContact CH2-CE1 3.85Å; W77-H101 AromaticContact CH2-ND1 3.55Å; W77-H101 HydrophobicContact CZ2-CB 4.34Å; W77-H101 AromaticContact CZ2-CD2 3.84Å; W77-H101 AromaticContact CZ2-CE1 3.29Å; W77-H101 WeakPolarHBondContact CZ2-CE1 3.33Å; W77-H101 AromaticContact CZ2-CG 3.6Å; W77-H101 AromaticContact CZ2-ND1 3.25Å; W77-H101 VanDerWaalsContact CZ2-ND1 3.25Å; W77-H101 WeakPolarHBondContact CZ2-ND1 3.2Å; W77-H101 AromaticContact CZ2-NE2 3.66Å; W77-H101 PolarHBondContact N-O 3.25Å; W77-H101 AromaticContact NE1-CD2 3.27Å; W77-H101 PolarHBondContact NE1-CD2 2.89Å; W77-H101 VanDerWaalsContact NE1-CD2 3.27Å; W77-H101 AromaticContact NE1-CG 3.51Å; W77-H101 AromaticContact NE1-NE2 3.77Å
78	N	97.7	Very high	96.6	Very high	15 Å²	15	42 Å²	42	8%	0.08	21%	0.206	C	C	.	.	S	Bend	trans	-115.1	-170.7	171.5	-87.6	-85.7	0	0	0	109.3	L51 N54 H55 I56 M75 S76 L80 H101 N102	L51-N78 PolarHBondContact O-ND2 3.13Å; N54-N78 WeakPolarHBondContact CA-OD1 3.27Å; N54-N78 WeakPolarHBondContact CB-OD1 3.3Å; N54-N78 PolarHBondContact O-OD1 3.13Å; H55-N78 PolarHBondContact N-OD1 3.1Å; I56-N78 WeakPolarHBondContact CB-OD1 3.34Å; I56-N78 PolarHBondContact N-OD1 3.34Å; M75-N78 PolarHBondContact O-ND2 3.15Å; M75-N78 VanDerWaalsContact O-ND2 3.15Å; S76-N78 VanDerWaalsContact C-N 3.29Å; S76-N78 PolarHBondContact O-N 3.3Å; S76-N78 PolarHBondContact O-ND2 3.41Å; S76-N78 VanDerWaalsContact O-ND2 3.13Å; N78-L80 HydrophobicContact CB-CG 4.16Å; N78-H101 PolarHBondContact N-O 3.35Å; N78-N102 WeakPolarHBondContact CA-OD1 3.22Å; N78-N102 WeakPolarHBondContact CB-OD1 3.31Å; N78-N102 PolarHBondContact N-OD1 2.93Å; N78-N102 PolarHBondContact O-OD1 2.95Å
79	G	96.5	Very high	96.6	Very high	9 Å²	9	43.3 Å²	43.3	9%	0.093	21%	0.207	C	C	.	.			trans	-106.1	28.2	175	0	0	0	0	0	112.7	I56 H57 E81	I56-G79 CarbonylContact O-C 3.29Å; I56-G79 VanDerWaalsContact O-C 3.29Å; I56-G79 PolarHBondContact O-N 3.17Å; H57-G79 WeakPolarHBondContact CA-O 3.39Å; H57-G79 PolarHBondContact ND1-O 3.33Å; H57-G79 VanDerWaalsContact ND1-O 3.11Å; G79-E81 PolarHBondContact O-N 3.27Å
80	L	96.9	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.202	C	C	.	.			trans	-65.3	119.9	-168.9	-67.8	173.1	0	0	0	111.8	I56 H57 L59 M75 N78 L99 N102 L103 L104	I56-L80 HydrophobicContact CB-CD2 4.35Å; I56-L80 HydrophobicContact CG2-CD2 3.81Å; I56-L80 WeakPolarHBondContact O-CD2 3.32Å; I56-L80 PolarHBondContact O-N 3.22Å; H57-L80 WeakPolarHBondContact O-CA 3.22Å; L59-L80 HydrophobicContact CD1-CD1 4.37Å; L59-L80 HydrophobicContact CD2-CD2 4.45Å; L59-L80 HydrophobicContact CG-CD2 3.91Å; M75-L80 HydrophobicContact CB-CD1 3.95Å; M75-L80 HydrophobicContact CE-CD1 4.06Å; N78-L80 HydrophobicContact CB-CG 4.16Å; L80-L99 HydrophobicContact CD1-CD2 4.3Å; L80-N102 HydrophobicContact CB-CB 4.04Å; L80-N102 VanDerWaalsContact CB-OD1 3.23Å; L80-N102 WeakPolarHBondContact CB-OD1 3.16Å; L80-N102 WeakPolarHBondContact CG-OD1 3.13Å; L80-N102 PolarHBondContact N-OD1 2.96Å; L80-L103 CarbonylContact O-C 3.22Å; L80-L103 VanDerWaalsContact O-C 3.22Å; L80-L103 VanDerWaalsContact O-CA 3.29Å; L80-L103 WeakPolarHBondContact O-CA 3.38Å; L80-L103 PolarHBondContact O-N 3.39Å; L80-L104 PolarHBondContact O-N 3.22Å
81	E	95.2	Very high	96.5	Very high	101 Å²	101	42.3 Å²	42.3	47%	0.472	20%	0.202	S	C	.	.			trans	-108.8	-31.1	175.5	-68.9	-179.1	-161.9	0	0	112.2	H57 G79 L103	H57-E81 PolarHBondContact O-N 2.61Å; G79-E81 PolarHBondContact O-N 3.27Å; E81-L103 HydrophobicContact CG-CB 3.73Å; E81-L103 HydrophobicContact CG-CD1 4.21Å
82	L	94.6	Very high	96.3	Very high	100 Å²	100	41.5 Å²	41.5	52%	0.524	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	136.1	-175.4	-174	71.2	0	0	0	111.1	Q58 L59	Q58-L82 VanDerWaalsContact CA-O 3.25Å; Q58-L82 WeakPolarHBondContact CA-O 3.25Å; Q58-L82 HydrophobicContact CG-CB 4.09Å; L59-L82 PolarHBondContact N-O 3.44Å
83	I	96.2	Very high	96.3	Very high	13 Å²	13	42 Å²	42	7%	0.067	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.6	172.8	-59.7	173.9	0	0	0	107.2	L59 T87 F88 L99 L104 Y112	L59-I83 HydrophobicContact CB-CB 4.49Å; L59-I83 HydrophobicContact CB-CG1 4.37Å; L59-I83 HydrophobicContact CB-CG2 4.14Å; L59-I83 HydrophobicContact CD1-CD1 4.39Å; L59-I83 HydrophobicContact CD1-CG1 4.2Å; L59-I83 HydrophobicContact CD1-CG2 4.3Å; L59-I83 HydrophobicContact CG-CG1 4.49Å; I83-T87 HydrophobicContact CG2-CG2 4.27Å; I83-F88 HydrophobicContact CG2-CE2 4.24Å; I83-L99 HydrophobicContact CD1-CD1 3.99Å; I83-L99 HydrophobicContact CD1-CD2 3.92Å; I83-L104 HydrophobicContact CD1-CD1 4.38Å; I83-L104 HydrophobicContact CD1-CD2 4.3Å; I83-L104 HydrophobicContact CG1-CD2 4.39Å; I83-Y112 HydrophobicContact CB-CD1 3.53Å; I83-Y112 HydrophobicContact CB-CE1 3.71Å; I83-Y112 HydrophobicContact CB-CG 4.25Å; I83-Y112 HydrophobicContact CD1-CD1 4.29Å; I83-Y112 HydrophobicContact CD1-CE1 3.69Å; I83-Y112 HydrophobicContact CD1-CE2 4.46Å; I83-Y112 HydrophobicContact CG1-CD1 4.48Å; I83-Y112 HydrophobicContact CG1-CE1 4.2Å; I83-Y112 HydrophobicContact CG2-CD1 3.44Å; I83-Y112 VanDerWaalsContact CG2-CD1 3.44Å; I83-Y112 HydrophobicContact CG2-CD2 4.31Å; I83-Y112 HydrophobicContact CG2-CE1 3.96Å; I83-Y112 HydrophobicContact CG2-CG 3.62Å
84	D	95.7	Very high	96.2	Very high	63 Å²	63	42.1 Å²	42.1	34%	0.337	21%	0.213	S	C	.	.			trans	-61	144.4	178.5	-174.8	-84.1	0	0	0	111.2	L59 E86 T87	L59-D84 WeakPolarHBondContact O-CB 3.36Å; L59-D84 PolarHBondContact O-N 2.71Å; D84-E86 PolarHBondContact O-N 3.06Å; D84-E86 PolarHBondContact OD1-N 3.44Å; D84-T87 WeakPolarHBondContact CB-OG1 3.09Å; D84-T87 PolarHBondContact N-OG1 3.46Å; D84-T87 WeakPolarHBondContact O-CB 3.32Å; D84-T87 PolarHBondContact O-N 3.37Å; D84-T87 VanDerWaalsContact O-N 3.14Å; D84-T87 PolarHBondContact O-OG1 2.93Å
85	T	95.1	Very high	96.2	Very high	57 Å²	57	43.7 Å²	43.7	35%	0.35	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.6	-175.5	-62.7	0	0	0	0	112.8	R111 Y112 F115	T85-R111 HydrophobicContact CG2-CB 3.68Å; T85-R111 WeakPolarHBondContact OG1-CB 3.49Å; T85-Y112 WeakPolarHBondContact O-CA 3.27Å; T85-F115 HydrophobicContact CG2-CE2 4.11Å; T85-F115 WeakPolarHBondContact O-CD2 3.09Å; T85-F115 WeakPolarHBondContact O-CE2 3.45Å
86	E	95.5	Very high	96.3	Very high	70 Å²	70	46 Å²	46	33%	0.327	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	14.1	-177.2	-64.8	-177.6	-170.7	0	0	113	K61 D84 F88 H89 F115	K61-E86 HydrophobicContact CB-CB 4.46Å; K61-E86 HydrophobicContact CD-CB 4.01Å; K61-E86 VanDerWaalsContact CD-OE2 3.29Å; K61-E86 WeakPolarHBondContact CD-OE2 3.33Å; K61-E86 WeakPolarHBondContact CE-OE2 3.44Å; K61-E86 HydrophobicContact CG-CB 4.01Å; K61-E86 IonicContact NZ-OE2 2.61Å; K61-E86 PolarHBondContact NZ-OE2 2.99Å; D84-E86 PolarHBondContact O-N 3.06Å; D84-E86 PolarHBondContact OD1-N 3.44Å; E86-F88 VanDerWaalsContact C-N 3.29Å; E86-F88 PolarHBondContact O-N 3.28Å; E86-H89 HydrophobicContact CB-CB 4.3Å; E86-H89 VanDerWaalsContact O-CB 3.28Å; E86-H89 WeakPolarHBondContact O-CB 3.28Å; E86-H89 PolarHBondContact O-N 3.05Å; E86-F115 HydrophobicContact CG-CE2 3.96Å; E86-F115 HydrophobicContact CG-CZ 4.15Å
87	T	96.2	Very high	96.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-45.1	-179.6	-60.5	0	0	0	0	112.6	L59 F64 I83 D84	L59-T87 HydrophobicContact CB-CG2 3.84Å; L59-T87 HydrophobicContact CD1-CG2 4.16Å; F64-T87 HydrophobicContact CD2-CG2 3.96Å; F64-T87 HydrophobicContact CE2-CG2 3.96Å; I83-T87 HydrophobicContact CG2-CG2 4.27Å; D84-T87 WeakPolarHBondContact CB-OG1 3.09Å; D84-T87 PolarHBondContact N-OG1 3.46Å; D84-T87 WeakPolarHBondContact O-CB 3.32Å; D84-T87 PolarHBondContact O-N 3.37Å; D84-T87 VanDerWaalsContact O-N 3.14Å; D84-T87 PolarHBondContact O-OG1 2.93Å
88	F	96.1	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	11.5	-176	-56.6	-57.6	0	0	0	114	L59 F64 L73 I83 E86 D90 T91 L94 L97 Y112 T116	L59-F88 HydrophobicContact CD1-CZ 4.35Å; F64-F88 HydrophobicContact CD2-CE1 4.38Å; F64-F88 HydrophobicContact CE2-CE1 4.2Å; L73-F88 HydrophobicContact CD2-CE1 3.62Å; L73-F88 HydrophobicContact CD2-CZ 4.27Å; I83-F88 HydrophobicContact CG2-CE2 4.24Å; E86-F88 VanDerWaalsContact C-N 3.29Å; E86-F88 PolarHBondContact O-N 3.28Å; F88-D90 PolarHBondContact O-N 3.02Å; F88-T91 WeakPolarHBondContact CA-OG1 3.33Å; F88-T91 PolarHBondContact O-N 3.27Å; F88-T91 PolarHBondContact O-OG1 2.96Å; F88-T91 VanDerWaalsContact O-OG1 3.1Å; F88-L94 HydrophobicContact CD1-CD2 4Å; F88-L94 HydrophobicContact CE1-CD2 4.32Å; F88-L94 HydrophobicContact CG-CD2 4.31Å; F88-L97 HydrophobicContact CE2-CD2 3.9Å; F88-L97 HydrophobicContact CZ-CD1 4.08Å; F88-L97 HydrophobicContact CZ-CD2 4.02Å; F88-Y112 AromaticContact CD2-CD2 3.77Å; F88-Y112 HydrophobicContact CD2-CD2 3.77Å; F88-Y112 HydrophobicContact CD2-CG 4.29Å; F88-Y112 AromaticContact CE2-CD2 3.5Å; F88-Y112 HydrophobicContact CE2-CD2 3.5Å; F88-Y112 HydrophobicContact CE2-CE2 4.09Å; F88-Y112 HydrophobicContact CE2-CG 4.11Å; F88-T116 HydrophobicContact CB-CG2 3.62Å; F88-T116 HydrophobicContact CD2-CG2 3.69Å; F88-T116 HydrophobicContact CG-CG2 3.86Å
89	H	95.1	Very high	96.3	Very high	99 Å²	99	39.5 Å²	39.5	46%	0.458	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-39.2	179.7	177.1	-83.3	0	0	0	112.1	E86 T91 F115	E86-H89 HydrophobicContact CB-CB 4.3Å; E86-H89 VanDerWaalsContact O-CB 3.28Å; E86-H89 WeakPolarHBondContact O-CB 3.28Å; E86-H89 PolarHBondContact O-N 3.05Å; H89-T91 VanDerWaalsContact C-N 3.34Å; H89-F115 HydrophobicContact CB-CD1 4.41Å; H89-F115 HydrophobicContact CB-CG 4.4Å; H89-F115 AromaticContact CD2-CD1 3.79Å; H89-F115 AromaticContact CD2-CE1 3.63Å
90	D	94.3	Very high	96.3	Very high	50 Å²	50	39.4 Å²	39.4	27%	0.267	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	3.6	-176.2	-58.1	-34.5	0	0	0	113.5	K65 F88 P92	K65-D90 WeakPolarHBondContact CB-OD2 3.5Å; F88-D90 PolarHBondContact O-N 3.02Å; D90-P92 VanDerWaalsContact O-CD 3.27Å; D90-P92 WeakPolarHBondContact O-CD 3.16Å
91	T	95.7	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.			trans	-119.5	63.5	-179.2	58.8	0	0	0	0	111.6	F64 L70 F88 H89 L93 L94	F64-T91 HydrophobicContact CB-CG2 3.53Å; F64-T91 HydrophobicContact CG-CG2 4.38Å; L70-T91 HydrophobicContact CB-CG2 4.18Å; L70-T91 HydrophobicContact CD2-CG2 4Å; F88-T91 WeakPolarHBondContact CA-OG1 3.33Å; F88-T91 PolarHBondContact O-N 3.27Å; F88-T91 PolarHBondContact O-OG1 2.96Å; F88-T91 VanDerWaalsContact O-OG1 3.1Å; H89-T91 VanDerWaalsContact C-N 3.34Å; T91-L93 PolarHBondContact O-N 2.96Å; T91-L94 WeakPolarHBondContact O-CB 3.31Å; T91-L94 PolarHBondContact O-N 3.15Å
92	P	94.3	Very high	96.4	Very high	71 Å²	71	37.2 Å²	37.2	46%	0.461	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.1	-172.4	29.9	-37	0	0	0	113.6	D90 L94 N118	D90-P92 VanDerWaalsContact O-CD 3.27Å; D90-P92 WeakPolarHBondContact O-CD 3.16Å; P92-L94 VanDerWaalsContact C-N 3.34Å; P92-N118 PolarHBondContact O-ND2 2.9Å
93	L	96.6	Very high	96.4	Very high	58 Å²	58	35.4 Å²	35.4	30%	0.304	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	5	-178.9	-62.7	-178.4	0	0	0	113.7	L69 L70 R71 T91 E95	L69-L93 HydrophobicContact CD2-CD1 4.08Å; L70-L93 CarbonylContact O-C 3.56Å; R71-L93 HydrophobicContact CG-CB 4.46Å; T91-L93 PolarHBondContact O-N 2.96Å; L93-E95 PolarHBondContact O-N 3.06Å
94	L	97.5	Very high	96.3	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.184	C	C	.	.			trans	-63.4	119	-177.4	-170.4	69.3	0	0	0	110.7	L70 L73 F88 T91 P92 L97 T116 N118 L119	L70-L94 HydrophobicContact CD2-CD1 4.23Å; L70-L94 HydrophobicContact CG-CD1 4.03Å; L70-L94 WeakPolarHBondContact O-CA 3.27Å; L70-L94 PolarHBondContact O-N 3.36Å; L70-L94 VanDerWaalsContact O-N 3.1Å; L73-L94 HydrophobicContact CB-CD1 3.86Å; F88-L94 HydrophobicContact CD1-CD2 4Å; F88-L94 HydrophobicContact CE1-CD2 4.32Å; F88-L94 HydrophobicContact CG-CD2 4.31Å; T91-L94 WeakPolarHBondContact O-CB 3.31Å; T91-L94 PolarHBondContact O-N 3.15Å; P92-L94 VanDerWaalsContact C-N 3.34Å; L94-L97 HydrophobicContact CD2-CB 4.31Å; L94-L97 HydrophobicContact CD2-CD1 4.48Å; L94-L97 HydrophobicContact CD2-CD2 4.38Å; L94-T116 HydrophobicContact CD2-CG2 4.35Å; L94-N118 CarbonylContact O-C 3.56Å; L94-N118 VanDerWaalsContact O-C 3.23Å; L94-L119 HydrophobicContact CD2-CD2 4.25Å; L94-L119 HydrophobicContact CG-CD2 4.01Å; L94-L119 PolarHBondContact O-N 2.73Å
95	E	98.1	Very high	96.1	Very high	51 Å²	51	39 Å²	39	24%	0.238	19%	0.194	C	C	.	.			trans	-109.1	-36.4	-177.4	-76.7	169.1	169.1	0	0	111.2	R71 L93 L119 R120 V121	R71-E95 IonicContact NH1-OE1 2.73Å; R71-E95 PolarHBondContact NH1-OE1 3.33Å; R71-E95 IonicContact NH1-OE2 3.8Å; R71-E95 PolarHBondContact NH1-OE2 3.08Å; R71-E95 PolarHBondContact O-N 3.25Å; L93-E95 PolarHBondContact O-N 3.06Å; E95-L119 CarbonylContact O-C 3.46Å; E95-L119 WeakPolarHBondContact O-CA 3.42Å; E95-L119 WeakPolarHBondContact O-CD2 3.28Å; E95-R120 PolarHBondContact O-N 2.68Å; E95-V121 PolarHBondContact O-N 3.21Å
96	N	98.6	Very high	95.8	Very high	48 Å²	48	39.6 Å²	39.6	26%	0.257	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.7	-175.4	-68.6	29.1	0	0	0	110.3	R71 F72 L73 V121	R71-N96 PolarHBondContact O-N 2.87Å; F72-N96 WeakPolarHBondContact CA-O 3.42Å; F72-N96 HydrophobicContact CB-CB 4.33Å; F72-N96 HydrophobicContact CD2-CB 3.39Å; F72-N96 HydrophobicContact CE2-CB 4.02Å; F72-N96 HydrophobicContact CG-CB 4.14Å; L73-N96 PolarHBondContact N-O 3.41Å; N96-V121 WeakPolarHBondContact CA-O 3.34Å; N96-V121 HydrophobicContact CB-CB 4.44Å
97	L	98.4	Very high	95.6	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	117.4	179.7	178.3	59.5	0	0	0	110.4	L73 F88 L94 L99 Y112 L119 V121 L122 N123	L73-L97 HydrophobicContact CB-CD1 4.14Å; L73-L97 HydrophobicContact CD2-CD1 3.97Å; L73-L97 HydrophobicContact CG-CD1 4.2Å; L73-L97 WeakPolarHBondContact O-CA 3.48Å; F88-L97 HydrophobicContact CE2-CD2 3.9Å; F88-L97 HydrophobicContact CZ-CD1 4.08Å; F88-L97 HydrophobicContact CZ-CD2 4.02Å; L94-L97 HydrophobicContact CD2-CB 4.31Å; L94-L97 HydrophobicContact CD2-CD1 4.48Å; L94-L97 HydrophobicContact CD2-CD2 4.38Å; L97-L99 HydrophobicContact CD1-CD2 3.97Å; L97-L99 HydrophobicContact CD1-CG 4.14Å; L97-L99 HydrophobicContact CD2-CD1 4Å; L97-L99 HydrophobicContact CD2-CG 4.23Å; L97-L99 HydrophobicContact CG-CD1 4.23Å; L97-L99 HydrophobicContact CG-CD2 4.3Å; L97-L99 HydrophobicContact CG-CG 3.93Å; L97-Y112 HydrophobicContact CD2-CE2 4.48Å; L97-L119 HydrophobicContact CB-CD1 4.49Å; L97-L119 HydrophobicContact CB-CD2 3.72Å; L97-L119 HydrophobicContact CD2-CD1 4.45Å; L97-V121 PolarHBondContact N-O 2.96Å; L97-L122 HydrophobicContact CB-CD1 4.22Å; L97-L122 HydrophobicContact CD2-CD1 4.11Å; L97-L122 HydrophobicContact CG-CD1 4.18Å; L97-L122 WeakPolarHBondContact O-CA 3.48Å; L97-N123 PolarHBondContact O-N 3.11Å
98	D	98.5	Very high	95.3	Very high	34 Å²	34	39 Å²	39	18%	0.182	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.3	173.4	-160.4	-33.2	0	0	0	110.8	L73 M75 S76 S100 N123	L73-D98 PolarHBondContact O-N 2.97Å; M75-D98 CarbonylContact C-O 3.55Å; M75-D98 WeakPolarHBondContact CA-O 3.4Å; M75-D98 WeakPolarHBondContact CB-O 3.16Å; M75-D98 PolarHBondContact N-O 2.96Å; S76-D98 PolarHBondContact N-O 3.1Å; D98-S100 WeakPolarHBondContact OD1-CB 3.44Å; D98-S100 PolarHBondContact OD1-N 2.9Å; D98-S100 PolarHBondContact OD1-OG 2.96Å; D98-N123 HydrophobicContact CB-CB 4.41Å; D98-N123 PolarHBondContact OD1-ND2 3.12Å; D98-N123 PolarHBondContact OD2-ND2 3.18Å
99	L	97.7	Very high	95	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.			trans	-115.1	15.7	176	-60.6	174.2	0	0	0	111.3	M75 L80 I83 L97 N102 L104 Y112 N123 M124 N127	M75-L99 HydrophobicContact CB-CD2 4.04Å; M75-L99 HydrophobicContact CG-CD2 4.43Å; L80-L99 HydrophobicContact CD1-CD2 4.3Å; I83-L99 HydrophobicContact CD1-CD1 3.99Å; I83-L99 HydrophobicContact CD1-CD2 3.92Å; L97-L99 HydrophobicContact CD1-CD2 3.97Å; L97-L99 HydrophobicContact CD1-CG 4.14Å; L97-L99 HydrophobicContact CD2-CD1 4Å; L97-L99 HydrophobicContact CD2-CG 4.23Å; L97-L99 HydrophobicContact CG-CD1 4.23Å; L97-L99 HydrophobicContact CG-CD2 4.3Å; L97-L99 HydrophobicContact CG-CG 3.93Å; L99-N102 PolarHBondContact O-ND2 3.28Å; L99-L104 HydrophobicContact CB-CD1 4.43Å; L99-L104 HydrophobicContact CD1-CD1 4.37Å; L99-Y112 HydrophobicContact CD1-CE2 3.95Å; L99-Y112 WeakPolarHBondContact CD1-OH 3.31Å; L99-N123 CarbonylContact C-O 3.54Å; L99-N123 WeakPolarHBondContact CA-O 3.3Å; L99-N123 PolarHBondContact N-O 3.04Å; L99-M124 HydrophobicContact CB-CG 4.35Å; L99-M124 HydrophobicContact CD1-CG 4.41Å; L99-N127 PolarHBondContact O-ND2 2.72Å
100	S	96.9	Very high	94.8	Very high	7 Å²	7	38.4 Å²	38.4	5%	0.049	20%	0.199	C	C	.	.			trans	-68.1	158.8	-176.1	64	0	0	0	0	113	S76 W77 D98 N102 N123 A125	S76-S100 CarbonylContact C-O 3.54Å; S76-S100 WeakPolarHBondContact CA-O 3.26Å; S76-S100 WeakPolarHBondContact CB-O 3.14Å; S76-S100 WeakPolarHBondContact CB-OG 3.44Å; W77-S100 PolarHBondContact N-O 3.17Å; D98-S100 WeakPolarHBondContact OD1-CB 3.44Å; D98-S100 PolarHBondContact OD1-N 2.9Å; D98-S100 PolarHBondContact OD1-OG 2.96Å; S100-N102 PolarHBondContact O-N 3.34Å; S100-N102 PolarHBondContact O-ND2 3.19Å; S100-N102 VanDerWaalsContact O-ND2 3.13Å; S100-N123 PolarHBondContact N-O 3.29Å; S100-N123 PolarHBondContact OG-ND2 2.81Å; S100-A125 CarbonylContact C-O 3.57Å; S100-A125 WeakPolarHBondContact CA-O 3.42Å; S100-A125 VanDerWaalsContact CB-O 3.28Å; S100-A125 WeakPolarHBondContact CB-O 3.28Å
101	H	96.1	Very high	94.8	Very high	50 Å²	50	41.6 Å²	41.6	23%	0.231	21%	0.207	C	C	.	.	S	Bend	trans	54.1	53.2	-179.6	-63.5	-87.1	0	0	0	112.6	W77 N78 A125 W126	W77-H101 VanDerWaalsContact CA-O 3.25Å; W77-H101 WeakPolarHBondContact CA-O 3.19Å; W77-H101 HydrophobicContact CB-CB 4.42Å; W77-H101 AromaticContact CD1-CD2 3.95Å; W77-H101 HydrophobicContact CD2-CB 3.59Å; W77-H101 AromaticContact CD2-CG 3.76Å; W77-H101 AromaticContact CE2-CD2 3.54Å; W77-H101 AromaticContact CE2-CE1 3.82Å; W77-H101 AromaticContact CE2-CG 3.34Å; W77-H101 AromaticContact CE2-ND1 3.54Å; W77-H101 AromaticContact CE2-NE2 3.83Å; W77-H101 HydrophobicContact CE3-CB 4.05Å; W77-H101 HydrophobicContact CG-CB 3.75Å; W77-H101 AromaticContact CH2-CE1 3.85Å; W77-H101 AromaticContact CH2-ND1 3.55Å; W77-H101 HydrophobicContact CZ2-CB 4.34Å; W77-H101 AromaticContact CZ2-CD2 3.84Å; W77-H101 AromaticContact CZ2-CE1 3.29Å; W77-H101 WeakPolarHBondContact CZ2-CE1 3.33Å; W77-H101 AromaticContact CZ2-CG 3.6Å; W77-H101 AromaticContact CZ2-ND1 3.25Å; W77-H101 VanDerWaalsContact CZ2-ND1 3.25Å; W77-H101 WeakPolarHBondContact CZ2-ND1 3.2Å; W77-H101 AromaticContact CZ2-NE2 3.66Å; W77-H101 PolarHBondContact N-O 3.25Å; W77-H101 AromaticContact NE1-CD2 3.27Å; W77-H101 PolarHBondContact NE1-CD2 2.89Å; W77-H101 VanDerWaalsContact NE1-CD2 3.27Å; W77-H101 AromaticContact NE1-CG 3.51Å; W77-H101 AromaticContact NE1-NE2 3.77Å; N78-H101 PolarHBondContact N-O 3.35Å; H101-A125 PolarHBondContact N-O 3.08Å; H101-W126 VanDerWaalsContact CA-O 3.28Å; H101-W126 WeakPolarHBondContact CA-O 3.48Å; H101-W126 HydrophobicContact CB-CB 4.42Å; H101-W126 AromaticContact CD2-CD1 3.84Å; H101-W126 AromaticContact CE1-CD1 3.27Å; H101-W126 AromaticContact CE1-CD2 3.87Å; H101-W126 AromaticContact CE1-CE2 3.98Å; H101-W126 AromaticContact CE1-CG 3.34Å; H101-W126 AromaticContact CE1-NE1 3.69Å; H101-W126 PolarHBondContact N-O 2.74Å; H101-W126 WeakPolarHBondContact ND1-CB 3.06Å; H101-W126 AromaticContact ND1-CD1 3.98Å; H101-W126 AromaticContact ND1-CG 3.69Å; H101-W126 AromaticContact NE2-CD1 3.15Å; H101-W126 AromaticContact NE2-CG 3.67Å; H101-W126 AromaticContact NE2-NE1 3.68Å
102	N	96.9	Very high	94.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.208	C	C	.	.	S	Bend	trans	-127.6	-167	175.8	-84.2	-71.7	0	0	0	109.9	M75 N78 L80 L99 S100 W126 N127	M75-N102 PolarHBondContact O-ND2 3.12Å; N78-N102 WeakPolarHBondContact CA-OD1 3.22Å; N78-N102 WeakPolarHBondContact CB-OD1 3.31Å; N78-N102 PolarHBondContact N-OD1 2.93Å; N78-N102 PolarHBondContact O-OD1 2.95Å; L80-N102 HydrophobicContact CB-CB 4.04Å; L80-N102 VanDerWaalsContact CB-OD1 3.23Å; L80-N102 WeakPolarHBondContact CB-OD1 3.16Å; L80-N102 WeakPolarHBondContact CG-OD1 3.13Å; L80-N102 PolarHBondContact N-OD1 2.96Å; L99-N102 PolarHBondContact O-ND2 3.28Å; S100-N102 PolarHBondContact O-N 3.34Å; S100-N102 PolarHBondContact O-ND2 3.19Å; S100-N102 VanDerWaalsContact O-ND2 3.13Å; N102-W126 PolarHBondContact N-O 3.27Å; N102-N127 WeakPolarHBondContact CA-OD1 3.29Å; N102-N127 WeakPolarHBondContact CB-OD1 3.25Å; N102-N127 PolarHBondContact O-OD1 2.88Å
103	L	96.1	Very high	94.7	Very high	62 Å²	62	38.5 Å²	38.5	33%	0.325	19%	0.186	S	C	.	.			trans	-117.4	22.2	-173.9	-60.4	176.6	0	0	0	112.9	L80 E81 N127 K128	L80-L103 CarbonylContact O-C 3.22Å; L80-L103 VanDerWaalsContact O-C 3.22Å; L80-L103 VanDerWaalsContact O-CA 3.29Å; L80-L103 WeakPolarHBondContact O-CA 3.38Å; L80-L103 PolarHBondContact O-N 3.39Å; E81-L103 HydrophobicContact CG-CB 3.73Å; E81-L103 HydrophobicContact CG-CD1 4.21Å; L103-N127 PolarHBondContact N-OD1 3.08Å; L103-K128 HydrophobicContact CD2-CG 4.15Å
104	L	93.8	Very high	94.6	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	19%	0.189	C	C	.	.			trans	-64.8	136.9	178.6	-57.2	174	0	0	0	110.7	L80 I83 L99 N127 K128 F129	L80-L104 PolarHBondContact O-N 3.22Å; I83-L104 HydrophobicContact CD1-CD1 4.38Å; I83-L104 HydrophobicContact CD1-CD2 4.3Å; I83-L104 HydrophobicContact CG1-CD2 4.39Å; L99-L104 HydrophobicContact CB-CD1 4.43Å; L99-L104 HydrophobicContact CD1-CD1 4.37Å; L104-N127 HydrophobicContact CB-CB 4.19Å; L104-N127 VanDerWaalsContact CB-OD1 3.29Å; L104-N127 WeakPolarHBondContact CB-OD1 3.4Å; L104-N127 WeakPolarHBondContact CG-OD1 3.19Å; L104-N127 PolarHBondContact N-OD1 3.13Å; L104-K128 CarbonylContact O-C 3.22Å; L104-K128 WeakPolarHBondContact O-CA 3.41Å; L104-K128 PolarHBondContact O-N 3.08Å; L104-F129 HydrophobicContact CB-CE1 3.75Å; L104-F129 HydrophobicContact CB-CZ 4.32Å; L104-F129 WeakPolarHBondContact O-CD1 3.35Å; L104-F129 PolarHBondContact O-N 3.4Å
105	R	91.3	Very high	94.3	Very high	146 Å²	146	41.5 Å²	41.5	55%	0.551	20%	0.204	S	C	*	.			trans	-111.5	-21.7	-172.2	-62.1	-170.5	-173.8	-176.8	3.6	116.5	K128 F129 E130	R105-K128 WeakPolarHBondContact CA-O 3.21Å; R105-K128 HydrophobicContact CG-CB 4.22Å; R105-F129 WeakPolarHBondContact O-CA 3.09Å; R105-E130 PolarHBondContact O-N 2.99Å; R105-E130 VanDerWaalsContact O-N 3.1Å
106	N	88.5	Confident	94.1	Very high	71 Å²	71	39.2 Å²	39.2	38%	0.38	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-130.9	103.9	-168.8	-174.6	2.7	0	0	0	113	S108 D109 Q110	N106-S108 PolarHBondContact ND2-OG 2.9Å; N106-S108 PolarHBondContact O-N 3.42Å; N106-S108 WeakPolarHBondContact OD1-CB 3.22Å; N106-S108 PolarHBondContact OD1-N 3.43Å; N106-S108 PolarHBondContact OD1-OG 2.95Å; N106-D109 WeakPolarHBondContact ND2-CB 3.42Å; N106-Q110 PolarHBondContact O-NE2 2.82Å
107	L	91.3	Very high	93.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-68.1	-20.3	175.3	-79.8	166.8	0	0	0	114.3	Q110 M124 F129 M132 T133 L134 G135 F138 L149	L107-Q110 WeakPolarHBondContact O-CG 3.25Å; L107-M124 HydrophobicContact CD2-CE 3.76Å; L107-M124 HydrophobicContact CD2-SD 4.36Å; L107-F129 HydrophobicContact CD1-CB 4.07Å; L107-F129 HydrophobicContact CD1-CD1 4.23Å; L107-F129 HydrophobicContact CD1-CD2 3.67Å; L107-F129 HydrophobicContact CD1-CE2 4.1Å; L107-F129 HydrophobicContact CD1-CG 3.74Å; L107-F129 HydrophobicContact CD2-CD1 4.14Å; L107-F129 HydrophobicContact CD2-CD2 4.11Å; L107-F129 HydrophobicContact CD2-CE1 3.74Å; L107-F129 HydrophobicContact CD2-CE2 3.69Å; L107-F129 HydrophobicContact CD2-CG 4.32Å; L107-F129 HydrophobicContact CD2-CZ 3.5Å; L107-F129 HydrophobicContact CG-CB 4.29Å; L107-F129 HydrophobicContact CG-CD1 3.59Å; L107-F129 HydrophobicContact CG-CD2 3.81Å; L107-F129 HydrophobicContact CG-CE1 3.72Å; L107-F129 HydrophobicContact CG-CE2 3.93Å; L107-F129 HydrophobicContact CG-CG 3.64Å; L107-F129 HydrophobicContact CG-CZ 3.9Å; L107-M132 HydrophobicContact CD1-CE 4.3Å; L107-M132 HydrophobicContact CD1-SD 3.79Å; L107-T133 CarbonylContact C-O 3.46Å; L107-L134 HydrophobicContact CB-CD2 4.49Å; L107-L134 HydrophobicContact CD1-CD2 4.3Å; L107-L134 HydrophobicContact CD2-CD2 4.17Å; L107-G135 PolarHBondContact O-N 2.61Å; L107-F138 HydrophobicContact CD2-CZ 4.31Å; L107-L149 HydrophobicContact CD2-CD2 4.3Å
108	S	90.8	Very high	93.7	Very high	57 Å²	57	41 Å²	41	40%	0.399	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-79.4	-16.8	-177.9	71.2	0	0	0	0	114.3	N106 T133	N106-S108 PolarHBondContact ND2-OG 2.9Å; N106-S108 PolarHBondContact O-N 3.42Å; N106-S108 WeakPolarHBondContact OD1-CB 3.22Å; N106-S108 PolarHBondContact OD1-N 3.43Å; N106-S108 PolarHBondContact OD1-OG 2.95Å; S108-T133 PolarHBondContact N-O 2.83Å
109	D	88.1	Confident	93.6	Very high	77 Å²	77	39.3 Å²	39.3	41%	0.412	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-121.9	48.1	-175.8	-160.8	29.7	0	0	0	112.4	N106 R111	N106-D109 WeakPolarHBondContact ND2-CB 3.42Å; D109-R111 VanDerWaalsContact C-N 3.32Å; D109-R111 PolarHBondContact O-N 2.98Å; D109-R111 WeakPolarHBondContact OD1-CG 3.44Å; D109-R111 IonicContact OD1-CZ 3.25Å; D109-R111 VanDerWaalsContact OD1-CZ 3.25Å; D109-R111 IonicContact OD1-NE 2.71Å; D109-R111 PolarHBondContact OD1-NE 2.84Å; D109-R111 IonicContact OD1-NH2 2.96Å; D109-R111 PolarHBondContact OD1-NH2 3.43Å; D109-R111 IonicContact OD2-NH2 3.53Å
110	Q	91.5	Very high	93.6	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.047	22%	0.219	C	C	.	.			trans	-92.4	55.3	-179.8	-59.5	-62.4	-15.5	0	0	111.8	N106 L107 Y112 L113 F138	N106-Q110 PolarHBondContact O-NE2 2.82Å; L107-Q110 WeakPolarHBondContact O-CG 3.25Å; Q110-Y112 HydrophobicContact CB-CE1 4.33Å; Q110-Y112 PolarHBondContact O-N 2.87Å; Q110-Y112 VanDerWaalsContact O-N 3.14Å; Q110-Y112 PolarHBondContact OE1-OH 3.36Å; Q110-L113 HydrophobicContact CB-CD1 3.74Å; Q110-L113 HydrophobicContact CB-CG 4.24Å; Q110-L113 WeakPolarHBondContact O-CB 3.44Å; Q110-L113 PolarHBondContact O-N 3.1Å; Q110-F138 HydrophobicContact CB-CE2 4.17Å; Q110-F138 HydrophobicContact CG-CE2 4.21Å; Q110-F138 HydrophobicContact CG-CZ 4.4Å
111	R	93.9	Very high	93.7	Very high	117 Å²	117	45.8 Å²	45.8	44%	0.442	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-60.5	-27.6	-169.1	-64.4	-171.9	-163.6	164.8	16.3	115.1	T85 D109 L113 S114	T85-R111 HydrophobicContact CG2-CB 3.68Å; T85-R111 WeakPolarHBondContact OG1-CB 3.49Å; D109-R111 VanDerWaalsContact C-N 3.32Å; D109-R111 PolarHBondContact O-N 2.98Å; D109-R111 WeakPolarHBondContact OD1-CG 3.44Å; D109-R111 IonicContact OD1-CZ 3.25Å; D109-R111 VanDerWaalsContact OD1-CZ 3.25Å; D109-R111 IonicContact OD1-NE 2.71Å; D109-R111 PolarHBondContact OD1-NE 2.84Å; D109-R111 IonicContact OD1-NH2 2.96Å; D109-R111 PolarHBondContact OD1-NH2 3.43Å; D109-R111 IonicContact OD2-NH2 3.53Å; R111-L113 PolarHBondContact O-N 2.78Å; R111-L113 VanDerWaalsContact O-N 3.17Å; R111-S114 VanDerWaalsContact O-CB 3.23Å; R111-S114 WeakPolarHBondContact O-CB 3.5Å; R111-S114 PolarHBondContact O-N 3.34Å; R111-S114 PolarHBondContact O-OG 2.61Å
112	Y	93.7	Very high	93.8	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.02	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.8	-23.9	177	61.5	-101.8	0	0	0	113.2	I83 T85 F88 L97 L99 Q110 S114 F115	I83-Y112 HydrophobicContact CB-CD1 3.53Å; I83-Y112 HydrophobicContact CB-CE1 3.71Å; I83-Y112 HydrophobicContact CB-CG 4.25Å; I83-Y112 HydrophobicContact CD1-CD1 4.29Å; I83-Y112 HydrophobicContact CD1-CE1 3.69Å; I83-Y112 HydrophobicContact CD1-CE2 4.46Å; I83-Y112 HydrophobicContact CG1-CD1 4.48Å; I83-Y112 HydrophobicContact CG1-CE1 4.2Å; I83-Y112 HydrophobicContact CG2-CD1 3.44Å; I83-Y112 VanDerWaalsContact CG2-CD1 3.44Å; I83-Y112 HydrophobicContact CG2-CD2 4.31Å; I83-Y112 HydrophobicContact CG2-CE1 3.96Å; I83-Y112 HydrophobicContact CG2-CG 3.62Å; T85-Y112 WeakPolarHBondContact O-CA 3.27Å; F88-Y112 AromaticContact CD2-CD2 3.77Å; F88-Y112 HydrophobicContact CD2-CD2 3.77Å; F88-Y112 HydrophobicContact CD2-CG 4.29Å; F88-Y112 AromaticContact CE2-CD2 3.5Å; F88-Y112 HydrophobicContact CE2-CD2 3.5Å; F88-Y112 HydrophobicContact CE2-CE2 4.09Å; F88-Y112 HydrophobicContact CE2-CG 4.11Å; L97-Y112 HydrophobicContact CD2-CE2 4.48Å; L99-Y112 HydrophobicContact CD1-CE2 3.95Å; L99-Y112 WeakPolarHBondContact CD1-OH 3.31Å; Q110-Y112 HydrophobicContact CB-CE1 4.33Å; Q110-Y112 PolarHBondContact O-N 2.87Å; Q110-Y112 VanDerWaalsContact O-N 3.14Å; Q110-Y112 PolarHBondContact OE1-OH 3.36Å; Y112-S114 PolarHBondContact O-N 2.93Å; Y112-F115 PolarHBondContact O-N 2.83Å
113	L	94.9	Very high	93.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-67.4	-15.5	176.1	-65	175	0	0	0	113	Q110 R111 F115 T116 L119 L122 E137 F138 L141	Q110-L113 HydrophobicContact CB-CD1 3.74Å; Q110-L113 HydrophobicContact CB-CG 4.24Å; Q110-L113 WeakPolarHBondContact O-CB 3.44Å; Q110-L113 PolarHBondContact O-N 3.1Å; R111-L113 PolarHBondContact O-N 2.78Å; R111-L113 VanDerWaalsContact O-N 3.17Å; L113-F115 PolarHBondContact O-N 2.94Å; L113-T116 VanDerWaalsContact CA-OG1 3.27Å; L113-T116 WeakPolarHBondContact CA-OG1 3.41Å; L113-T116 PolarHBondContact O-N 3.13Å; L113-T116 VanDerWaalsContact O-N 3.1Å; L113-T116 PolarHBondContact O-OG1 3.42Å; L113-L119 HydrophobicContact CD2-CD1 3.97Å; L113-L122 HydrophobicContact CD1-CD2 4.13Å; L113-L122 HydrophobicContact CD2-CD2 4.02Å; L113-E137 HydrophobicContact CB-CB 4.19Å; L113-F138 HydrophobicContact CD1-CD1 4.39Å; L113-F138 HydrophobicContact CD1-CD2 4.37Å; L113-F138 HydrophobicContact CD1-CE1 3.84Å; L113-F138 HydrophobicContact CD1-CE2 3.83Å; L113-F138 HydrophobicContact CD1-CZ 3.51Å; L113-L141 HydrophobicContact CD1-CD1 4.32Å; L113-L141 HydrophobicContact CD2-CD1 4.46Å
114	S	93.8	Very high	93.8	Very high	51 Å²	51	41.8 Å²	41.8	36%	0.357	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-61.9	-23.5	176.6	-52.1	0	0	0	0	112.8	R111 Y112	R111-S114 VanDerWaalsContact O-CB 3.23Å; R111-S114 WeakPolarHBondContact O-CB 3.5Å; R111-S114 PolarHBondContact O-N 3.34Å; R111-S114 PolarHBondContact O-OG 2.61Å; Y112-S114 PolarHBondContact O-N 2.93Å
115	F	91.6	Very high	93.8	Very high	73 Å²	73	41.7 Å²	41.7	32%	0.32	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-100.2	2.2	178.9	-60.2	-75.4	0	0	0	113.4	T85 E86 H89 Y112 L113	T85-F115 HydrophobicContact CG2-CE2 4.11Å; T85-F115 WeakPolarHBondContact O-CD2 3.09Å; T85-F115 WeakPolarHBondContact O-CE2 3.45Å; E86-F115 HydrophobicContact CG-CE2 3.96Å; E86-F115 HydrophobicContact CG-CZ 4.15Å; H89-F115 HydrophobicContact CB-CD1 4.41Å; H89-F115 HydrophobicContact CB-CG 4.4Å; H89-F115 AromaticContact CD2-CD1 3.79Å; H89-F115 AromaticContact CD2-CE1 3.63Å; Y112-F115 PolarHBondContact O-N 2.83Å; L113-F115 PolarHBondContact O-N 2.94Å
116	T	93.5	Very high	93.8	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	20%	0.202	C	C	.	.			trans	-111.5	42.4	-172.8	66.2	0	0	0	0	112.5	F88 L94 L113 N118 L119 L141	F88-T116 HydrophobicContact CB-CG2 3.62Å; F88-T116 HydrophobicContact CD2-CG2 3.69Å; F88-T116 HydrophobicContact CG-CG2 3.86Å; L94-T116 HydrophobicContact CD2-CG2 4.35Å; L113-T116 VanDerWaalsContact CA-OG1 3.27Å; L113-T116 WeakPolarHBondContact CA-OG1 3.41Å; L113-T116 PolarHBondContact O-N 3.13Å; L113-T116 VanDerWaalsContact O-N 3.1Å; L113-T116 PolarHBondContact O-OG1 3.42Å; T116-N118 PolarHBondContact O-N 3.24Å; T116-N118 VanDerWaalsContact O-N 3.08Å; T116-L119 VanDerWaalsContact CB-CD1 3.49Å; T116-L119 HydrophobicContact CG2-CD1 4.29Å; T116-L119 WeakPolarHBondContact O-CB 3.2Å; T116-L119 WeakPolarHBondContact O-CG 3.42Å; T116-L119 PolarHBondContact O-N 2.79Å; T116-L119 VanDerWaalsContact O-N 3.11Å; T116-L119 WeakPolarHBondContact OG1-CD1 3.45Å; T116-L141 VanDerWaalsContact O-CD2 3.3Å; T116-L141 WeakPolarHBondContact O-CD2 3.42Å
117	G	92.2	Very high	94	Very high	37 Å²	37	35.9 Å²	35.9	38%	0.381	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-9	-176.2	0	0	0	0	0	115.6
118	N	95.9	Very high	94	Very high	50 Å²	50	40.9 Å²	40.9	27%	0.267	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.1	174.9	-77.8	-37.3	0	0	0	114.3	P92 L94 T116 R120 K143	P92-N118 PolarHBondContact O-ND2 2.9Å; L94-N118 CarbonylContact O-C 3.56Å; L94-N118 VanDerWaalsContact O-C 3.23Å; T116-N118 PolarHBondContact O-N 3.24Å; T116-N118 VanDerWaalsContact O-N 3.08Å; N118-R120 PolarHBondContact O-N 2.98Å; N118-K143 PolarHBondContact OD1-NZ 2.91Å
119	L	97.3	Very high	93.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.			trans	-59.4	132.8	177.9	-77	175.5	0	0	0	111.7	L94 E95 L97 L113 T116 L141 K143 L144	L94-L119 HydrophobicContact CD2-CD2 4.25Å; L94-L119 HydrophobicContact CG-CD2 4.01Å; L94-L119 PolarHBondContact O-N 2.73Å; E95-L119 CarbonylContact O-C 3.46Å; E95-L119 WeakPolarHBondContact O-CA 3.42Å; E95-L119 WeakPolarHBondContact O-CD2 3.28Å; L97-L119 HydrophobicContact CB-CD1 4.49Å; L97-L119 HydrophobicContact CB-CD2 3.72Å; L97-L119 HydrophobicContact CD2-CD1 4.45Å; L113-L119 HydrophobicContact CD2-CD1 3.97Å; T116-L119 VanDerWaalsContact CB-CD1 3.49Å; T116-L119 HydrophobicContact CG2-CD1 4.29Å; T116-L119 WeakPolarHBondContact O-CB 3.2Å; T116-L119 WeakPolarHBondContact O-CG 3.42Å; T116-L119 PolarHBondContact O-N 2.79Å; T116-L119 VanDerWaalsContact O-N 3.11Å; T116-L119 WeakPolarHBondContact OG1-CD1 3.45Å; L119-L141 HydrophobicContact CD1-CD2 4.37Å; L119-K143 CarbonylContact O-C 3.52Å; L119-L144 HydrophobicContact CB-CD1 4.15Å; L119-L144 VanDerWaalsContact O-CA 3.31Å; L119-L144 WeakPolarHBondContact O-CA 3.3Å; L119-L144 PolarHBondContact O-N 2.98Å; L119-L144 VanDerWaalsContact O-N 3.12Å
120	R	97.7	Very high	93.6	Very high	95 Å²	95	42.4 Å²	42.4	36%	0.358	20%	0.204	S	C	.	.	S	Bend	trans	-107.7	-37.3	171.4	-67.8	173.5	169.4	-91.5	-5.2	111	E95 N118 E145 S146	E95-R120 PolarHBondContact O-N 2.68Å; N118-R120 PolarHBondContact O-N 2.98Å; R120-E145 IonicContact CZ-OE1 3.9Å; R120-E145 VanDerWaalsContact NH1-CD 3.3Å; R120-E145 IonicContact NH1-OE1 3.78Å; R120-E145 PolarHBondContact NH1-OE1 3.46Å; R120-E145 IonicContact NH1-OE2 2.69Å; R120-E145 PolarHBondContact NH1-OE2 3.31Å; R120-E145 WeakPolarHBondContact O-CA 3.35Å; R120-E145 PolarHBondContact O-N 2.92Å; R120-S146 PolarHBondContact O-N 2.61Å
121	V	98.4	Very high	93.1	Very high	48 Å²	48	45.7 Å²	45.7	29%	0.291	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124	-179	-175.7	0	0	0	0	110.1	E95 N96 L97 S146	E95-V121 PolarHBondContact O-N 3.21Å; N96-V121 WeakPolarHBondContact CA-O 3.34Å; N96-V121 HydrophobicContact CB-CB 4.44Å; L97-V121 PolarHBondContact N-O 2.96Å; V121-S146 WeakPolarHBondContact CA-O 3.31Å
122	L	97.9	Very high	92.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.2	174.8	177.6	59.1	0	0	0	109.9	L97 L113 M124 F138 L141 L144 S146 L147 T148	L97-L122 HydrophobicContact CB-CD1 4.22Å; L97-L122 HydrophobicContact CD2-CD1 4.11Å; L97-L122 HydrophobicContact CG-CD1 4.18Å; L97-L122 WeakPolarHBondContact O-CA 3.48Å; L113-L122 HydrophobicContact CD1-CD2 4.13Å; L113-L122 HydrophobicContact CD2-CD2 4.02Å; L122-M124 HydrophobicContact CD1-CG 3.86Å; L122-M124 HydrophobicContact CD1-SD 4.15Å; L122-M124 HydrophobicContact CD2-CE 3.9Å; L122-M124 HydrophobicContact CD2-CG 4.46Å; L122-M124 HydrophobicContact CD2-SD 3.91Å; L122-M124 HydrophobicContact CG-CE 4.21Å; L122-M124 HydrophobicContact CG-CG 3.97Å; L122-M124 HydrophobicContact CG-SD 4.09Å; L122-F138 HydrophobicContact CD2-CE1 3.86Å; L122-L141 HydrophobicContact CD2-CD1 4.16Å; L122-L144 HydrophobicContact CB-CD1 3.83Å; L122-S146 PolarHBondContact N-O 2.9Å; L122-L147 HydrophobicContact CB-CD1 4.17Å; L122-L147 HydrophobicContact CD2-CD1 4.02Å; L122-L147 HydrophobicContact CG-CD1 4.12Å; L122-L147 WeakPolarHBondContact O-CA 3.17Å; L122-T148 PolarHBondContact O-N 2.84Å
123	N	97.9	Very high	92.9	Very high	31 Å²	31	42.3 Å²	42.3	17%	0.166	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.1	174.8	-175.9	7.2	0	0	0	110.4	L97 D98 L99 S100 A125 T148	L97-N123 PolarHBondContact O-N 3.11Å; D98-N123 HydrophobicContact CB-CB 4.41Å; D98-N123 PolarHBondContact OD1-ND2 3.12Å; D98-N123 PolarHBondContact OD2-ND2 3.18Å; L99-N123 CarbonylContact C-O 3.54Å; L99-N123 WeakPolarHBondContact CA-O 3.3Å; L99-N123 PolarHBondContact N-O 3.04Å; S100-N123 PolarHBondContact N-O 3.29Å; S100-N123 PolarHBondContact OG-ND2 2.81Å; N123-A125 WeakPolarHBondContact OD1-CB 3.27Å; N123-A125 PolarHBondContact OD1-N 2.95Å; N123-A125 VanDerWaalsContact OD1-N 3.1Å; N123-T148 WeakPolarHBondContact OD1-CB 3.21Å; N123-T148 WeakPolarHBondContact OD1-CG2 3.43Å
124	M	95.6	Very high	92.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	19.9	176.6	-60.4	-179.8	-57.2	0	0	111.6	L99 L107 L122 N127 F129 F138 L147 T148 L149	L99-M124 HydrophobicContact CB-CG 4.35Å; L99-M124 HydrophobicContact CD1-CG 4.41Å; L107-M124 HydrophobicContact CD2-CE 3.76Å; L107-M124 HydrophobicContact CD2-SD 4.36Å; L122-M124 HydrophobicContact CD1-CG 3.86Å; L122-M124 HydrophobicContact CD1-SD 4.15Å; L122-M124 HydrophobicContact CD2-CE 3.9Å; L122-M124 HydrophobicContact CD2-CG 4.46Å; L122-M124 HydrophobicContact CD2-SD 3.91Å; L122-M124 HydrophobicContact CG-CE 4.21Å; L122-M124 HydrophobicContact CG-CG 3.97Å; L122-M124 HydrophobicContact CG-SD 4.09Å; M124-N127 PolarHBondContact O-ND2 3.16Å; M124-F129 HydrophobicContact CB-CE2 4.07Å; M124-F129 HydrophobicContact CB-CZ 4.05Å; M124-F129 WeakPolarHBondContact O-CE2 3.14Å; M124-F138 HydrophobicContact CE-CE1 3.6Å; M124-F138 HydrophobicContact CE-CZ 3.59Å; M124-F138 HydrophobicContact SD-CZ 4.21Å; M124-L147 HydrophobicContact CE-CD1 4.05Å; M124-T148 PolarHBondContact N-O 3.15Å; M124-L149 HydrophobicContact CE-CD2 3.26Å
125	A	93.9	Very high	92.8	Very high	4 Å²	4	40 Å²	40	3%	0.033	20%	0.2	C	C	.	.			trans	-56.4	155.7	177.5	0	0	0	0	0	112.1	S100 H101 N123 N127 T148	S100-A125 CarbonylContact C-O 3.57Å; S100-A125 WeakPolarHBondContact CA-O 3.42Å; S100-A125 VanDerWaalsContact CB-O 3.28Å; S100-A125 WeakPolarHBondContact CB-O 3.28Å; H101-A125 PolarHBondContact N-O 3.08Å; N123-A125 WeakPolarHBondContact OD1-CB 3.27Å; N123-A125 PolarHBondContact OD1-N 2.95Å; N123-A125 VanDerWaalsContact OD1-N 3.1Å; A125-N127 VanDerWaalsContact C-N 3.29Å; A125-N127 PolarHBondContact O-N 2.78Å; A125-N127 PolarHBondContact O-ND2 3.07Å; A125-T148 HydrophobicContact CB-CG2 3.81Å
126	W	91.4	Very high	92.9	Very high	93 Å²	93	45 Å²	45	35%	0.352	22%	0.216	S	C	.	.	S	Bend	trans	57.2	40	172.7	-57.2	106.4	0	0	0	114.8	H101 N102 N198	H101-W126 VanDerWaalsContact CA-O 3.28Å; H101-W126 WeakPolarHBondContact CA-O 3.48Å; H101-W126 HydrophobicContact CB-CB 4.42Å; H101-W126 AromaticContact CD2-CD1 3.84Å; H101-W126 AromaticContact CE1-CD1 3.27Å; H101-W126 AromaticContact CE1-CD2 3.87Å; H101-W126 AromaticContact CE1-CE2 3.98Å; H101-W126 AromaticContact CE1-CG 3.34Å; H101-W126 AromaticContact CE1-NE1 3.69Å; H101-W126 PolarHBondContact N-O 2.74Å; H101-W126 WeakPolarHBondContact ND1-CB 3.06Å; H101-W126 AromaticContact ND1-CD1 3.98Å; H101-W126 AromaticContact ND1-CG 3.69Å; H101-W126 AromaticContact NE2-CD1 3.15Å; H101-W126 AromaticContact NE2-CG 3.67Å; H101-W126 AromaticContact NE2-NE1 3.68Å; N102-W126 PolarHBondContact N-O 3.27Å; W126-N198 HydrophobicContact CH2-CB 3.88Å; W126-N198 WeakPolarHBondContact CH2-ND2 3.29Å; W126-N198 HydrophobicContact CZ2-CB 4.08Å; W126-N198 WeakPolarHBondContact CZ2-ND2 3.49Å; W126-N198 WeakPolarHBondContact CZ2-OD1 3.35Å
127	N	93.1	Very high	92.9	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.011	22%	0.217	C	C	.	.	S	Bend	trans	-96.8	-171	165.5	-84.8	-79.3	0	0	0	110.1	L99 N102 L103 L104 M124 A125 F129	L99-N127 PolarHBondContact O-ND2 2.72Å; N102-N127 WeakPolarHBondContact CA-OD1 3.29Å; N102-N127 WeakPolarHBondContact CB-OD1 3.25Å; N102-N127 PolarHBondContact O-OD1 2.88Å; L103-N127 PolarHBondContact N-OD1 3.08Å; L104-N127 HydrophobicContact CB-CB 4.19Å; L104-N127 VanDerWaalsContact CB-OD1 3.29Å; L104-N127 WeakPolarHBondContact CB-OD1 3.4Å; L104-N127 WeakPolarHBondContact CG-OD1 3.19Å; L104-N127 PolarHBondContact N-OD1 3.13Å; M124-N127 PolarHBondContact O-ND2 3.16Å; A125-N127 VanDerWaalsContact C-N 3.29Å; A125-N127 PolarHBondContact O-N 2.78Å; A125-N127 PolarHBondContact O-ND2 3.07Å; N127-F129 HydrophobicContact CB-CD1 4.27Å; N127-F129 HydrophobicContact CB-CD2 3.95Å; N127-F129 HydrophobicContact CB-CE1 3.93Å; N127-F129 HydrophobicContact CB-CE2 3.58Å; N127-F129 HydrophobicContact CB-CG 4.29Å; N127-F129 HydrophobicContact CB-CZ 3.56Å
128	K	90.5	Very high	93.1	Very high	105 Å²	105	43.4 Å²	43.4	46%	0.457	20%	0.199	S	C	.	.			trans	-110.1	42.3	-179.4	-64.2	-61.8	-177.9	-170	0	111.6	L103 L104 R105 E130	L103-K128 HydrophobicContact CD2-CG 4.15Å; L104-K128 CarbonylContact O-C 3.22Å; L104-K128 WeakPolarHBondContact O-CA 3.41Å; L104-K128 PolarHBondContact O-N 3.08Å; R105-K128 WeakPolarHBondContact CA-O 3.21Å; R105-K128 HydrophobicContact CG-CB 4.22Å; K128-E130 PolarHBondContact O-N 3.35Å
129	F	88.6	Confident	92.9	Very high	11 Å²	11	43.3 Å²	43.3	5%	0.048	20%	0.202	C	C	.	.			trans	-62.2	119.9	-177.9	-58.8	-47.7	0	0	0	111.3	L104 R105 L107 M124 N127	L104-F129 HydrophobicContact CB-CE1 3.75Å; L104-F129 HydrophobicContact CB-CZ 4.32Å; L104-F129 WeakPolarHBondContact O-CD1 3.35Å; L104-F129 PolarHBondContact O-N 3.4Å; R105-F129 WeakPolarHBondContact O-CA 3.09Å; L107-F129 HydrophobicContact CD1-CB 4.07Å; L107-F129 HydrophobicContact CD1-CD1 4.23Å; L107-F129 HydrophobicContact CD1-CD2 3.67Å; L107-F129 HydrophobicContact CD1-CE2 4.1Å; L107-F129 HydrophobicContact CD1-CG 3.74Å; L107-F129 HydrophobicContact CD2-CD1 4.14Å; L107-F129 HydrophobicContact CD2-CD2 4.11Å; L107-F129 HydrophobicContact CD2-CE1 3.74Å; L107-F129 HydrophobicContact CD2-CE2 3.69Å; L107-F129 HydrophobicContact CD2-CG 4.32Å; L107-F129 HydrophobicContact CD2-CZ 3.5Å; L107-F129 HydrophobicContact CG-CB 4.29Å; L107-F129 HydrophobicContact CG-CD1 3.59Å; L107-F129 HydrophobicContact CG-CD2 3.81Å; L107-F129 HydrophobicContact CG-CE1 3.72Å; L107-F129 HydrophobicContact CG-CE2 3.93Å; L107-F129 HydrophobicContact CG-CG 3.64Å; L107-F129 HydrophobicContact CG-CZ 3.9Å; M124-F129 HydrophobicContact CB-CE2 4.07Å; M124-F129 HydrophobicContact CB-CZ 4.05Å; M124-F129 WeakPolarHBondContact O-CE2 3.14Å; N127-F129 HydrophobicContact CB-CD1 4.27Å; N127-F129 HydrophobicContact CB-CD2 3.95Å; N127-F129 HydrophobicContact CB-CE1 3.93Å; N127-F129 HydrophobicContact CB-CE2 3.58Å; N127-F129 HydrophobicContact CB-CG 4.29Å; N127-F129 HydrophobicContact CB-CZ 3.56Å
130	E	81.1	Confident	92.7	Very high	154 Å²	154	47.7 Å²	47.7	72%	0.72	23%	0.225	S	C	*	.	S	Bend	trans	-79.4	-31.6	178.6	-65.8	179.5	-173.9	0	0	111.7	R105 K128	R105-E130 PolarHBondContact O-N 2.99Å; R105-E130 VanDerWaalsContact O-N 3.1Å; K128-E130 PolarHBondContact O-N 3.35Å
131	N	82.4	Confident	92.6	Very high	80 Å²	80	43.1 Å²	43.1	43%	0.428	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-133.8	143.8	176.3	-178	11.2	0	0	0	109.5	T133	N131-T133 WeakPolarHBondContact ND2-CB 3.02Å; N131-T133 PolarHBondContact ND2-OG1 2.7Å; N131-T133 PolarHBondContact OD1-N 3.22Å; N131-T133 VanDerWaalsContact OD1-N 3.14Å; N131-T133 PolarHBondContact OD1-OG1 3.31Å
132	M	89.8	Confident	92.3	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.02	23%	0.231	C	C	.	.			trans	-86.1	-6.9	179	-77	-60.4	-64	0	0	114.6	L107 L134 L149 A151 V153 I154 D158	L107-M132 HydrophobicContact CD1-CE 4.3Å; L107-M132 HydrophobicContact CD1-SD 3.79Å; M132-L134 PolarHBondContact O-N 3.22Å; M132-L149 HydrophobicContact CE-CB 4.01Å; M132-L149 HydrophobicContact CE-CD1 4.03Å; M132-A151 HydrophobicContact CE-CB 3.75Å; M132-A151 HydrophobicContact CG-CB 4.18Å; M132-A151 HydrophobicContact SD-CB 3.79Å; M132-V153 VanDerWaalsContact CB-O 3.27Å; M132-V153 WeakPolarHBondContact CB-O 3.49Å; M132-V153 WeakPolarHBondContact CG-O 3.5Å; M132-I154 HydrophobicContact CG-CG1 4.3Å; M132-D158 HydrophobicContact CB-CB 4.23Å; M132-D158 WeakPolarHBondContact CB-OD2 3.37Å
133	T	92.9	Very high	92.1	Very high	47 Å²	47	56 Å²	56	29%	0.288	25%	0.254	S	S	.	.			trans	-59.1	112	178.4	-50.7	0	0	0	0	111.6	L107 S108 N131 D158	L107-T133 CarbonylContact C-O 3.46Å; S108-T133 PolarHBondContact N-O 2.83Å; N131-T133 WeakPolarHBondContact ND2-CB 3.02Å; N131-T133 PolarHBondContact ND2-OG1 2.7Å; N131-T133 PolarHBondContact OD1-N 3.22Å; N131-T133 VanDerWaalsContact OD1-N 3.14Å; N131-T133 PolarHBondContact OD1-OG1 3.31Å; T133-D158 VanDerWaalsContact CA-OD1 3.23Å; T133-D158 WeakPolarHBondContact CA-OD1 3.43Å; T133-D158 WeakPolarHBondContact CB-OD1 3.48Å; T133-D158 PolarHBondContact N-OD1 2.7Å; T133-D158 VanDerWaalsContact N-OD1 3.1Å; T133-D158 PolarHBondContact OG1-OD1 2.79Å
134	L	94.4	Very high	92.1	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	25%	0.247	C	C	.	.			trans	-67.7	138.9	177.6	-63.3	179.5	0	0	0	110.6	L107 M132 F138 L147 L149 D158 F159 N161 I162	L107-L134 HydrophobicContact CB-CD2 4.49Å; L107-L134 HydrophobicContact CD1-CD2 4.3Å; L107-L134 HydrophobicContact CD2-CD2 4.17Å; M132-L134 PolarHBondContact O-N 3.22Å; L134-F138 HydrophobicContact CB-CD2 3.91Å; L134-F138 HydrophobicContact CB-CE2 4.37Å; L134-F138 HydrophobicContact CB-CG 4.15Å; L134-F138 HydrophobicContact CD1-CD1 4.49Å; L134-F138 HydrophobicContact CD1-CG 4.49Å; L134-F138 HydrophobicContact CD2-CD1 4.35Å; L134-F138 HydrophobicContact CD2-CD2 4.33Å; L134-F138 HydrophobicContact CD2-CE1 4.13Å; L134-F138 HydrophobicContact CD2-CE2 4.11Å; L134-F138 HydrophobicContact CD2-CG 4.46Å; L134-F138 HydrophobicContact CD2-CZ 4.03Å; L134-L147 HydrophobicContact CD1-CD2 4.36Å; L134-L149 HydrophobicContact CD2-CD1 4.04Å; L134-L149 HydrophobicContact CD2-CD2 4.31Å; L134-D158 PolarHBondContact N-O 3.26Å; L134-F159 HydrophobicContact CD1-CD1 3.96Å; L134-N161 HydrophobicContact CB-CB 4.49Å; L134-N161 PolarHBondContact O-ND2 2.5Å; L134-I162 HydrophobicContact CD1-CB 4.44Å; L134-I162 HydrophobicContact CD1-CD1 4.07Å; L134-I162 HydrophobicContact CD1-CG1 4.02Å; L134-I162 HydrophobicContact CD1-CG2 3.64Å
135	G	93.4	Very high	92.1	Very high	3 Å²	3	58.8 Å²	58.8	3%	0.031	27%	0.266	C	S	.	.			trans	-65.2	165.1	174.1	0	0	0	0	0	113.5	L107 E137 F138 N161	L107-G135 PolarHBondContact O-N 2.61Å; G135-E137 PolarHBondContact O-N 3.1Å; G135-F138 WeakPolarHBondContact O-CD2 3.46Å; G135-F138 PolarHBondContact O-N 3.37Å; G135-N161 WeakPolarHBondContact O-CB 3.22Å; G135-N161 PolarHBondContact O-ND2 2.91Å
136	R	93.3	Very high	92.3	Very high	176 Å²	176	59.8 Å²	59.8	66%	0.664	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-62.9	-23.3	177.6	62.9	-179.8	178.9	-178.4	3.1	112.5	F138 S139	R136-F138 PolarHBondContact O-N 2.81Å; R136-S139 WeakPolarHBondContact O-CB 3.14Å; R136-S139 PolarHBondContact O-N 3.2Å; R136-S139 VanDerWaalsContact O-N 3.1Å; R136-S139 PolarHBondContact O-OG 2.82Å
137	E	93.7	Very high	92.6	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.033	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-63.8	-29.7	-177.1	-65.1	69.1	-155.8	0	0	111.4	L113 G135 S139 L140	L113-E137 HydrophobicContact CB-CB 4.19Å; G135-E137 PolarHBondContact O-N 3.1Å; E137-S139 PolarHBondContact O-N 2.74Å; E137-L140 VanDerWaalsContact O-CB 3.26Å; E137-L140 WeakPolarHBondContact O-CB 3.17Å; E137-L140 PolarHBondContact O-N 3.03Å
138	F	95.1	Very high	92.8	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-62.6	-29.1	174.7	-71.5	-93.2	0	0	0	112.7	L107 Q110 L113 L122 M124 L134 G135 R136 L140 L141 L147 I162	L107-F138 HydrophobicContact CD2-CZ 4.31Å; Q110-F138 HydrophobicContact CB-CE2 4.17Å; Q110-F138 HydrophobicContact CG-CE2 4.21Å; Q110-F138 HydrophobicContact CG-CZ 4.4Å; L113-F138 HydrophobicContact CD1-CD1 4.39Å; L113-F138 HydrophobicContact CD1-CD2 4.37Å; L113-F138 HydrophobicContact CD1-CE1 3.84Å; L113-F138 HydrophobicContact CD1-CE2 3.83Å; L113-F138 HydrophobicContact CD1-CZ 3.51Å; L122-F138 HydrophobicContact CD2-CE1 3.86Å; M124-F138 HydrophobicContact CE-CE1 3.6Å; M124-F138 HydrophobicContact CE-CZ 3.59Å; M124-F138 HydrophobicContact SD-CZ 4.21Å; L134-F138 HydrophobicContact CB-CD2 3.91Å; L134-F138 HydrophobicContact CB-CE2 4.37Å; L134-F138 HydrophobicContact CB-CG 4.15Å; L134-F138 HydrophobicContact CD1-CD1 4.49Å; L134-F138 HydrophobicContact CD1-CG 4.49Å; L134-F138 HydrophobicContact CD2-CD1 4.35Å; L134-F138 HydrophobicContact CD2-CD2 4.33Å; L134-F138 HydrophobicContact CD2-CE1 4.13Å; L134-F138 HydrophobicContact CD2-CE2 4.11Å; L134-F138 HydrophobicContact CD2-CG 4.46Å; L134-F138 HydrophobicContact CD2-CZ 4.03Å; G135-F138 WeakPolarHBondContact O-CD2 3.46Å; G135-F138 PolarHBondContact O-N 3.37Å; R136-F138 PolarHBondContact O-N 2.81Å; F138-L140 PolarHBondContact O-N 3.12Å; F138-L141 HydrophobicContact CD1-CD1 4.17Å; F138-L141 PolarHBondContact O-N 3.28Å; F138-L141 VanDerWaalsContact O-N 3.12Å; F138-L147 HydrophobicContact CE1-CD1 4.31Å; F138-I162 HydrophobicContact CB-CG2 3.73Å; F138-I162 HydrophobicContact CG-CG2 4.49Å
139	S	93.2	Very high	92.9	Very high	47 Å²	47	51.3 Å²	51.3	33%	0.329	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-67	-15.9	176	75.2	0	0	0	0	113.4	R136 E137 N161	R136-S139 WeakPolarHBondContact O-CB 3.14Å; R136-S139 PolarHBondContact O-N 3.2Å; R136-S139 VanDerWaalsContact O-N 3.1Å; R136-S139 PolarHBondContact O-OG 2.82Å; E137-S139 PolarHBondContact O-N 2.74Å; S139-N161 WeakPolarHBondContact CA-O 3.48Å; S139-N161 WeakPolarHBondContact CB-O 3.47Å; S139-N161 PolarHBondContact N-O 3.29Å; S139-N161 VanDerWaalsContact N-O 3.17Å
140	L	92.8	Very high	93	Very high	92 Å²	92	51 Å²	51	48%	0.482	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-83.8	-19.8	177.2	-53.8	176	0	0	0	112.1	E137 F138 R142	E137-L140 VanDerWaalsContact O-CB 3.26Å; E137-L140 WeakPolarHBondContact O-CB 3.17Å; E137-L140 PolarHBondContact O-N 3.03Å; F138-L140 PolarHBondContact O-N 3.12Å; L140-R142 PolarHBondContact O-N 3.18Å
141	L	94.4	Very high	93.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.206	C	C	.	.			trans	-81	58	-175.6	-54.4	-179.6	0	0	0	111.9	L113 T116 L119 L122 F138 K143 L144 V165	L113-L141 HydrophobicContact CD1-CD1 4.32Å; L113-L141 HydrophobicContact CD2-CD1 4.46Å; T116-L141 VanDerWaalsContact O-CD2 3.3Å; T116-L141 WeakPolarHBondContact O-CD2 3.42Å; L119-L141 HydrophobicContact CD1-CD2 4.37Å; L122-L141 HydrophobicContact CD2-CD1 4.16Å; F138-L141 HydrophobicContact CD1-CD1 4.17Å; F138-L141 PolarHBondContact O-N 3.28Å; F138-L141 VanDerWaalsContact O-N 3.12Å; L141-K143 PolarHBondContact O-N 2.82Å; L141-K143 VanDerWaalsContact O-N 3.16Å; L141-L144 HydrophobicContact CB-CB 4Å; L141-L144 HydrophobicContact CB-CD2 4.3Å; L141-L144 HydrophobicContact CD1-CD2 4.11Å; L141-L144 WeakPolarHBondContact O-CB 3.33Å; L141-L144 PolarHBondContact O-N 3.29Å; L141-V165 WeakPolarHBondContact O-CG1 3.02Å
142	R	92.2	Very high	93.3	Very high	206 Å²	206	44 Å²	44	78%	0.777	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-14.4	-173.5	-62.8	-174.3	-179.3	-176	-0	115.1	L140	L140-R142 PolarHBondContact O-N 3.18Å
143	K	95.3	Very high	93.2	Very high	112 Å²	112	46.5 Å²	46.5	49%	0.487	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	0.6	176	-63.5	-169.7	-175.9	177.2	0	112.9	N118 L119 L141 E145	N118-K143 PolarHBondContact OD1-NZ 2.91Å; L119-K143 CarbonylContact O-C 3.52Å; L141-K143 PolarHBondContact O-N 2.82Å; L141-K143 VanDerWaalsContact O-N 3.16Å; K143-E145 PolarHBondContact O-N 2.91Å
144	L	96.4	Very high	93.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	21%	0.205	C	C	.	.			trans	-67.2	123.3	-177.7	-164	69.4	0	0	0	109	L119 L122 L141 L147 V165 L167	L119-L144 HydrophobicContact CB-CD1 4.15Å; L119-L144 VanDerWaalsContact O-CA 3.31Å; L119-L144 WeakPolarHBondContact O-CA 3.3Å; L119-L144 PolarHBondContact O-N 2.98Å; L119-L144 VanDerWaalsContact O-N 3.12Å; L122-L144 HydrophobicContact CB-CD1 3.83Å; L141-L144 HydrophobicContact CB-CB 4Å; L141-L144 HydrophobicContact CB-CD2 4.3Å; L141-L144 HydrophobicContact CD1-CD2 4.11Å; L141-L144 WeakPolarHBondContact O-CB 3.33Å; L141-L144 PolarHBondContact O-N 3.29Å; L144-L147 HydrophobicContact CD2-CB 4.06Å; L144-L147 HydrophobicContact CD2-CD1 4.29Å; L144-V165 HydrophobicContact CB-CG1 4.26Å; L144-L167 HydrophobicContact CB-CD2 4.06Å; L144-L167 HydrophobicContact CD2-CD2 3.92Å; L144-L167 HydrophobicContact CG-CD2 3.87Å; L144-L167 WeakPolarHBondContact O-CD2 3.36Å
145	E	96.8	Very high	93	Very high	87 Å²	87	46.3 Å²	46.3	41%	0.407	22%	0.22	S	C	.	.			trans	-103.2	-35.3	179.2	-70.1	169.3	173.8	0	0	110	R120 K143 Y168 C169	R120-E145 IonicContact CZ-OE1 3.9Å; R120-E145 VanDerWaalsContact NH1-CD 3.3Å; R120-E145 IonicContact NH1-OE1 3.78Å; R120-E145 PolarHBondContact NH1-OE1 3.46Å; R120-E145 IonicContact NH1-OE2 2.69Å; R120-E145 PolarHBondContact NH1-OE2 3.31Å; R120-E145 WeakPolarHBondContact O-CA 3.35Å; R120-E145 PolarHBondContact O-N 2.92Å; K143-E145 PolarHBondContact O-N 2.91Å; E145-Y168 WeakPolarHBondContact O-CA 3.43Å; E145-Y168 WeakPolarHBondContact O-CB 3.43Å; E145-Y168 PolarHBondContact O-N 3.04Å; E145-C169 PolarHBondContact O-N 2.85Å
146	S	97.8	Very high	93.1	Very high	26 Å²	26	50.2 Å²	50.2	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.2	179.8	-171.4	0	0	0	0	112.9	R120 V121 L122 C169	R120-S146 PolarHBondContact O-N 2.61Å; V121-S146 WeakPolarHBondContact CA-O 3.31Å; L122-S146 PolarHBondContact N-O 2.9Å; S146-C169 WeakPolarHBondContact CA-O 3.49Å
147	L	97.2	Very high	93	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.3	177.1	179.4	59.1	0	0	0	109.8	L122 M124 L134 F138 L144 L149 I162 L167 C169 L170 T171	L122-L147 HydrophobicContact CB-CD1 4.17Å; L122-L147 HydrophobicContact CD2-CD1 4.02Å; L122-L147 HydrophobicContact CG-CD1 4.12Å; L122-L147 WeakPolarHBondContact O-CA 3.17Å; M124-L147 HydrophobicContact CE-CD1 4.05Å; L134-L147 HydrophobicContact CD1-CD2 4.36Å; F138-L147 HydrophobicContact CE1-CD1 4.31Å; L144-L147 HydrophobicContact CD2-CB 4.06Å; L144-L147 HydrophobicContact CD2-CD1 4.29Å; L147-L149 HydrophobicContact CD1-CD2 3.93Å; L147-L149 HydrophobicContact CD1-CG 4.27Å; L147-L149 HydrophobicContact CD2-CD1 4.08Å; L147-L149 HydrophobicContact CD2-CG 4.35Å; L147-L149 HydrophobicContact CG-CD1 4.26Å; L147-L149 HydrophobicContact CG-CD2 4.2Å; L147-L149 HydrophobicContact CG-CG 4.01Å; L147-I162 HydrophobicContact CD2-CD1 4.37Å; L147-L167 HydrophobicContact CB-CD1 4.08Å; L147-L167 HydrophobicContact CB-CD2 4.31Å; L147-L167 HydrophobicContact CD2-CD1 4.43Å; L147-C169 PolarHBondContact N-O 2.96Å; L147-C169 VanDerWaalsContact N-O 3.12Å; L147-L170 HydrophobicContact CB-CD1 4.29Å; L147-L170 HydrophobicContact CD2-CD1 4.32Å; L147-L170 HydrophobicContact CG-CD1 4.3Å; L147-T171 PolarHBondContact O-N 3.01Å
148	T	96.5	Very high	93.1	Very high	22 Å²	22	42.2 Å²	42.2	14%	0.135	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.9	176.3	-52.6	0	0	0	0	110	L122 N123 M124 A125 T171	L122-T148 PolarHBondContact O-N 2.84Å; N123-T148 WeakPolarHBondContact OD1-CB 3.21Å; N123-T148 WeakPolarHBondContact OD1-CG2 3.43Å; M124-T148 PolarHBondContact N-O 3.15Å; A125-T148 HydrophobicContact CB-CG2 3.81Å; T148-T171 WeakPolarHBondContact CA-O 3.47Å; T148-T171 HydrophobicContact CG2-CG2 3.81Å
149	L	94.3	Very high	93	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.6	-177.1	-58.8	172.3	0	0	0	111.1	L107 M124 M132 L134 L147 F159 L170 T171 L172 S173	L107-L149 HydrophobicContact CD2-CD2 4.3Å; M124-L149 HydrophobicContact CE-CD2 3.26Å; M132-L149 HydrophobicContact CE-CB 4.01Å; M132-L149 HydrophobicContact CE-CD1 4.03Å; L134-L149 HydrophobicContact CD2-CD1 4.04Å; L134-L149 HydrophobicContact CD2-CD2 4.31Å; L147-L149 HydrophobicContact CD1-CD2 3.93Å; L147-L149 HydrophobicContact CD1-CG 4.27Å; L147-L149 HydrophobicContact CD2-CD1 4.08Å; L147-L149 HydrophobicContact CD2-CG 4.35Å; L147-L149 HydrophobicContact CG-CD1 4.26Å; L147-L149 HydrophobicContact CG-CD2 4.2Å; L147-L149 HydrophobicContact CG-CG 4.01Å; L149-F159 HydrophobicContact CD1-CE1 3.89Å; L149-L170 HydrophobicContact CD1-CD1 4.48Å; L149-T171 PolarHBondContact N-O 2.95Å; L149-L172 HydrophobicContact CB-CD2 4.42Å; L149-S173 PolarHBondContact O-N 2.84Å
150	G	89.6	Confident	93.1	Very high	4 Å²	4	46 Å²	46	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.2	166	0	0	0	0	0	109.7	S173	G150-S173 CarbonylContact C-O 3.26Å; G150-S173 VanDerWaalsContact CA-O 3.29Å; G150-S173 WeakPolarHBondContact CA-O 3.46Å
151	A	83.9	Confident	93.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.6	-174.7	0	0	0	0	0	113.6	M132 I154 S173 L174 E175 L178	M132-A151 HydrophobicContact CE-CB 3.75Å; M132-A151 HydrophobicContact CG-CB 4.18Å; M132-A151 HydrophobicContact SD-CB 3.79Å; A151-I154 HydrophobicContact CB-CD1 3.74Å; A151-I154 HydrophobicContact CB-CG1 3.79Å; A151-S173 PolarHBondContact N-O 3.17Å; A151-L174 HydrophobicContact CB-CD2 4.42Å; A151-E175 PolarHBondContact O-N 3.12Å; A151-E175 VanDerWaalsContact O-N 3.15Å; A151-L178 HydrophobicContact CB-CD1 4.37Å
152	K	85.4	Confident	93.2	Very high	86 Å²	86	44.3 Å²	44.3	37%	0.374	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-36.9	169.6	-70.3	-177.7	174.6	-173.6	0	113.2	E175 L178 D179	K152-E175 WeakPolarHBondContact CE-OE1 3.32Å; K152-E175 WeakPolarHBondContact CE-OE2 3.45Å; K152-E175 HydrophobicContact CG-CB 3.99Å; K152-E175 HydrophobicContact CG-CG 4.11Å; K152-E175 IonicContact NZ-OE2 3.54Å; K152-L178 WeakPolarHBondContact O-CA 3.16Å; K152-D179 PolarHBondContact O-N 2.68Å
153	V	88.3	Confident	93.2	Very high	56 Å²	56	35.5 Å²	35.5	34%	0.339	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	124	-179.2	-179.5	0	0	0	0	106.8	M132 D179	M132-V153 VanDerWaalsContact CB-O 3.27Å; M132-V153 WeakPolarHBondContact CB-O 3.49Å; M132-V153 WeakPolarHBondContact CG-O 3.5Å; V153-D179 CarbonylContact C-O 3.58Å; V153-D179 VanDerWaalsContact CA-O 3.3Å; V153-D179 WeakPolarHBondContact CA-O 3.46Å; V153-D179 HydrophobicContact CG1-CB 4.28Å; V153-D179 HydrophobicContact CG2-CB 4.2Å
154	I	91.3	Very high	92.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.4	175	-59.6	174.8	0	0	0	107.7	M132 A151 F159 L172 L178 D179 Y180 E181	M132-I154 HydrophobicContact CG-CG1 4.3Å; A151-I154 HydrophobicContact CB-CD1 3.74Å; A151-I154 HydrophobicContact CB-CG1 3.79Å; I154-F159 HydrophobicContact CG2-CE2 3.77Å; I154-F159 HydrophobicContact CG2-CZ 4.5Å; I154-L172 HydrophobicContact CD1-CD1 4.04Å; I154-L178 HydrophobicContact CD1-CD1 4.18Å; I154-L178 HydrophobicContact CG1-CD1 4.14Å; I154-D179 PolarHBondContact N-O 3.09Å; I154-Y180 HydrophobicContact CB-CD2 3.78Å; I154-Y180 HydrophobicContact CB-CE2 4.11Å; I154-Y180 HydrophobicContact CD1-CD2 4.18Å; I154-Y180 HydrophobicContact CD1-CE2 4.39Å; I154-Y180 HydrophobicContact CG2-CD2 4.02Å; I154-Y180 HydrophobicContact CG2-CE2 3.81Å; I154-E181 PolarHBondContact O-N 3.4Å
155	S	93.1	Very high	92.6	Very high	44 Å²	44	37.8 Å²	37.8	31%	0.308	20%	0.203	S	C	.	.			trans	-121.6	163.8	-176.8	-62.4	0	0	0	0	112.1	G157 D158 S184	S155-G157 PolarHBondContact O-N 3.43Å; S155-G157 VanDerWaalsContact O-N 3.13Å; S155-D158 PolarHBondContact N-OD2 2.89Å; S155-D158 PolarHBondContact O-N 3.49Å; S155-S184 PolarHBondContact O-OG 2.72Å
156	L	93.9	Very high	92.2	Very high	86 Å²	86	39 Å²	39	45%	0.45	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	119.8	-175.1	-173.4	71.2	0	0	0	111.3	E181 N183 S184 M186	L156-E181 WeakPolarHBondContact CB-OE2 3.4Å; L156-E181 PolarHBondContact N-OE2 3.2Å; L156-N183 HydrophobicContact CD1-CB 4.37Å; L156-S184 PolarHBondContact N-OG 3.3Å; L156-M186 HydrophobicContact CD1-SD 3.89Å
157	G	92.4	Very high	92.1	Very high	9 Å²	9	38.3 Å²	38.3	9%	0.093	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	4.2	175.8	0	0	0	0	0	115.5	S155 F159 K160	S155-G157 PolarHBondContact O-N 3.43Å; S155-G157 VanDerWaalsContact O-N 3.13Å; G157-F159 PolarHBondContact O-N 3.47Å; G157-K160 WeakPolarHBondContact O-CB 3.19Å; G157-K160 WeakPolarHBondContact O-CG 3.29Å; G157-K160 PolarHBondContact O-N 3.29Å; G157-K160 VanDerWaalsContact O-N 3.15Å
158	D	94.3	Very high	92.1	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.027	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.2	173.9	-78.4	-25.7	0	0	0	113.1	M132 T133 L134 S155	M132-D158 HydrophobicContact CB-CB 4.23Å; M132-D158 WeakPolarHBondContact CB-OD2 3.37Å; T133-D158 VanDerWaalsContact CA-OD1 3.23Å; T133-D158 WeakPolarHBondContact CA-OD1 3.43Å; T133-D158 WeakPolarHBondContact CB-OD1 3.48Å; T133-D158 PolarHBondContact N-OD1 2.7Å; T133-D158 VanDerWaalsContact N-OD1 3.1Å; T133-D158 PolarHBondContact OG1-OD1 2.79Å; L134-D158 PolarHBondContact N-O 3.26Å; S155-D158 PolarHBondContact N-OD2 2.89Å; S155-D158 PolarHBondContact O-N 3.49Å
159	F	94.8	Very high	92.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	6	-179.8	-60.4	-77.2	0	0	0	114.5	L134 L149 I154 G157 N161 I162 A163 L170 L172 S184 L185 D187	L134-F159 HydrophobicContact CD1-CD1 3.96Å; L149-F159 HydrophobicContact CD1-CE1 3.89Å; I154-F159 HydrophobicContact CG2-CE2 3.77Å; I154-F159 HydrophobicContact CG2-CZ 4.5Å; G157-F159 PolarHBondContact O-N 3.47Å; F159-N161 PolarHBondContact O-N 2.82Å; F159-N161 VanDerWaalsContact O-N 3.08Å; F159-I162 HydrophobicContact CB-CD1 4.14Å; F159-I162 HydrophobicContact CB-CG1 3.9Å; F159-I162 HydrophobicContact CD1-CD1 3.66Å; F159-I162 HydrophobicContact CD1-CG1 4.24Å; F159-I162 HydrophobicContact CG-CD1 4.34Å; F159-I162 WeakPolarHBondContact O-CG1 3.34Å; F159-I162 PolarHBondContact O-N 3.1Å; F159-A163 PolarHBondContact O-N 3.45Å; F159-L170 HydrophobicContact CE1-CD1 4.48Å; F159-L170 HydrophobicContact CE1-CD2 4.21Å; F159-L172 HydrophobicContact CZ-CD2 4.11Å; F159-S184 WeakPolarHBondContact CD2-O 3.08Å; F159-L185 HydrophobicContact CD2-CD2 4.28Å; F159-L185 HydrophobicContact CE2-CD2 3.7Å; F159-L185 HydrophobicContact CZ-CD2 4.1Å; F159-D187 HydrophobicContact CB-CB 4.11Å
160	K	94.4	Very high	92.2	Very high	128 Å²	128	43.4 Å²	43.4	56%	0.557	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-53.6	-35.9	-177.9	-81.2	170.7	-179.9	164.6	0	114	G157 I162 A163 D187	G157-K160 WeakPolarHBondContact O-CB 3.19Å; G157-K160 WeakPolarHBondContact O-CG 3.29Å; G157-K160 PolarHBondContact O-N 3.29Å; G157-K160 VanDerWaalsContact O-N 3.15Å; K160-I162 PolarHBondContact O-N 2.98Å; K160-A163 VanDerWaalsContact O-CB 3.31Å; K160-A163 WeakPolarHBondContact O-CB 3.38Å; K160-A163 PolarHBondContact O-N 3.41Å; K160-D187 VanDerWaalsContact CG-OD2 3.22Å; K160-D187 WeakPolarHBondContact CG-OD2 3.34Å
161	N	94.3	Very high	92.5	Very high	55 Å²	55	43.6 Å²	43.6	29%	0.294	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-76.5	-7.9	-178.3	-72.2	-44.3	0	0	0	113.8	L134 G135 S139 F159	L134-N161 HydrophobicContact CB-CB 4.49Å; L134-N161 PolarHBondContact O-ND2 2.5Å; G135-N161 WeakPolarHBondContact O-CB 3.22Å; G135-N161 PolarHBondContact O-ND2 2.91Å; S139-N161 WeakPolarHBondContact CA-O 3.48Å; S139-N161 WeakPolarHBondContact CB-O 3.47Å; S139-N161 PolarHBondContact N-O 3.29Å; S139-N161 VanDerWaalsContact N-O 3.17Å; F159-N161 PolarHBondContact O-N 2.82Å; F159-N161 VanDerWaalsContact O-N 3.08Å
162	I	94.1	Very high	93	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-108.4	5.5	169.9	63.2	163.8	0	0	0	113	L134 F138 L147 F159 K160 N164 V165 L167	L134-I162 HydrophobicContact CD1-CB 4.44Å; L134-I162 HydrophobicContact CD1-CD1 4.07Å; L134-I162 HydrophobicContact CD1-CG1 4.02Å; L134-I162 HydrophobicContact CD1-CG2 3.64Å; F138-I162 HydrophobicContact CB-CG2 3.73Å; F138-I162 HydrophobicContact CG-CG2 4.49Å; L147-I162 HydrophobicContact CD2-CD1 4.37Å; F159-I162 HydrophobicContact CB-CD1 4.14Å; F159-I162 HydrophobicContact CB-CG1 3.9Å; F159-I162 HydrophobicContact CD1-CD1 3.66Å; F159-I162 HydrophobicContact CD1-CG1 4.24Å; F159-I162 HydrophobicContact CG-CD1 4.34Å; F159-I162 WeakPolarHBondContact O-CG1 3.34Å; F159-I162 PolarHBondContact O-N 3.1Å; K160-I162 PolarHBondContact O-N 2.98Å; I162-N164 PolarHBondContact O-N 3.46Å; I162-N164 VanDerWaalsContact O-N 3.08Å; I162-V165 HydrophobicContact CB-CB 4.28Å; I162-V165 HydrophobicContact CB-CG2 4.46Å; I162-V165 WeakPolarHBondContact O-CB 3.28Å; I162-V165 PolarHBondContact O-N 3.45Å; I162-L167 HydrophobicContact CD1-CD1 4Å
163	A	92.2	Very high	93.3	Very high	20 Å²	20	39.9 Å²	39.9	17%	0.165	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.6	-179.5	0	0	0	0	0	113.6	F159 K160 D187 H189	F159-A163 PolarHBondContact O-N 3.45Å; K160-A163 VanDerWaalsContact O-CB 3.31Å; K160-A163 WeakPolarHBondContact O-CB 3.38Å; K160-A163 PolarHBondContact O-N 3.41Å; A163-D187 WeakPolarHBondContact CA-O 3.43Å; A163-D187 HydrophobicContact CB-CB 4.32Å; A163-H189 PolarHBondContact O-CE1 2.84Å; A163-H189 PolarHBondContact O-ND1 3.07Å
164	N	88.4	Confident	93.3	Very high	159 Å²	159	37.4 Å²	37.4	85%	0.85	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	7.9	176.6	-66.2	-24.9	0	0	0	113.5	I162	I162-N164 PolarHBondContact O-N 3.46Å; I162-N164 VanDerWaalsContact O-N 3.08Å
165	V	91.2	Very high	92.7	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	21%	0.209	C	C	.	.			trans	-102.5	120.7	177.3	-178.3	0	0	0	0	107.9	L141 L144 I162 L167	L141-V165 WeakPolarHBondContact O-CG1 3.02Å; L144-V165 HydrophobicContact CB-CG1 4.26Å; I162-V165 HydrophobicContact CB-CB 4.28Å; I162-V165 HydrophobicContact CB-CG2 4.46Å; I162-V165 WeakPolarHBondContact O-CB 3.28Å; I162-V165 PolarHBondContact O-N 3.45Å; V165-L167 HydrophobicContact CG1-CD2 3.96Å; V165-L167 HydrophobicContact CG1-CG 4.32Å; V165-L167 PolarHBondContact O-N 3.35Å
166	T	89.6	Confident	91.7	Very high	114 Å²	114	46.6 Å²	46.6	70%	0.699	24%	0.238	S	C	*	.			trans	-87.9	96.5	178.1	51.5	0	0	0	0	109.4
167	L	95	Very high	90.8	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.052	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	146.5	176	-62.6	174.9	0	0	0	110	L144 L147 I162 V165 L170 H189 A190 E191	L144-L167 HydrophobicContact CB-CD2 4.06Å; L144-L167 HydrophobicContact CD2-CD2 3.92Å; L144-L167 HydrophobicContact CG-CD2 3.87Å; L144-L167 WeakPolarHBondContact O-CD2 3.36Å; L147-L167 HydrophobicContact CB-CD1 4.08Å; L147-L167 HydrophobicContact CB-CD2 4.31Å; L147-L167 HydrophobicContact CD2-CD1 4.43Å; I162-L167 HydrophobicContact CD1-CD1 4Å; V165-L167 HydrophobicContact CG1-CD2 3.96Å; V165-L167 HydrophobicContact CG1-CG 4.32Å; V165-L167 PolarHBondContact O-N 3.35Å; L167-L170 HydrophobicContact CD1-CB 4.4Å; L167-L170 HydrophobicContact CD1-CD1 4.48Å; L167-H189 PolarHBondContact N-O 3.33Å; L167-H189 VanDerWaalsContact N-O 3.13Å; L167-A190 HydrophobicContact CB-CB 3.7Å; L167-A190 VanDerWaalsContact O-CA 3.23Å; L167-A190 WeakPolarHBondContact O-CA 3.43Å; L167-E191 PolarHBondContact O-N 3.36Å
168	Y	96.1	Very high	90.4	Very high	117 Å²	117	51.1 Å²	51.1	46%	0.459	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-48	161.7	172.4	-109.1	0	0	0	109.9	E145 E191 K192	E145-Y168 WeakPolarHBondContact O-CA 3.43Å; E145-Y168 WeakPolarHBondContact O-CB 3.43Å; E145-Y168 PolarHBondContact O-N 3.04Å; Y168-E191 HydrophobicContact CD2-CB 4.3Å; Y168-E191 WeakPolarHBondContact CD2-OE2 3.43Å; Y168-E191 PolarHBondContact O-N 3.16Å; Y168-K192 PolarHBondContact O-N 2.96Å
169	C	97.6	Very high	90.1	Very high	12 Å²	12	55.8 Å²	55.8	8%	0.081	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	124.7	-175.5	-175.8	0	0	0	0	113.1	E145 S146 L147 K192	E145-C169 PolarHBondContact O-N 2.85Å; S146-C169 WeakPolarHBondContact CA-O 3.49Å; L147-C169 PolarHBondContact N-O 2.96Å; L147-C169 VanDerWaalsContact N-O 3.12Å; C169-K192 WeakPolarHBondContact CA-O 3.48Å; C169-K192 HydrophobicContact CB-CB 4.37Å
170	L	96.9	Very high	89.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.4	167.2	176.7	62.7	0	0	0	109.6	L147 L149 F159 L167 L172 L185 A190 K192 I193 Q194	L147-L170 HydrophobicContact CB-CD1 4.29Å; L147-L170 HydrophobicContact CD2-CD1 4.32Å; L147-L170 HydrophobicContact CG-CD1 4.3Å; L149-L170 HydrophobicContact CD1-CD1 4.48Å; F159-L170 HydrophobicContact CE1-CD1 4.48Å; F159-L170 HydrophobicContact CE1-CD2 4.21Å; L167-L170 HydrophobicContact CD1-CB 4.4Å; L167-L170 HydrophobicContact CD1-CD1 4.48Å; L170-L172 HydrophobicContact CD1-CD2 4.27Å; L170-L172 HydrophobicContact CD2-CD2 4.47Å; L170-L172 HydrophobicContact CG-CD2 4.27Å; L170-L172 HydrophobicContact CG-CG 4.45Å; L170-L185 HydrophobicContact CD2-CD2 4.32Å; L170-A190 HydrophobicContact CB-CB 4.25Å; L170-K192 PolarHBondContact N-O 2.95Å; L170-I193 CarbonylContact O-C 3.57Å; L170-I193 WeakPolarHBondContact O-CA 3.38Å; L170-Q194 PolarHBondContact O-N 2.85Å
171	T	96.1	Very high	89.8	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.4	175	-57.1	0	0	0	0	110.9	L147 T148 L149 Q194	L147-T171 PolarHBondContact O-N 3.01Å; T148-T171 WeakPolarHBondContact CA-O 3.47Å; T148-T171 HydrophobicContact CG2-CG2 3.81Å; L149-T171 PolarHBondContact N-O 2.95Å; T171-Q194 CarbonylContact C-O 3.54Å; T171-Q194 VanDerWaalsContact CA-O 3.29Å; T171-Q194 WeakPolarHBondContact CA-O 3.39Å; T171-Q194 HydrophobicContact CG2-CB 4.11Å; T171-Q194 HydrophobicContact CG2-CG 4.21Å
172	L	93.9	Very high	89.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	110.3	175.1	-58.2	178.3	0	0	0	109.3	L149 I154 F159 L170 L174 L185 I193 Q194 D196 L207	L149-L172 HydrophobicContact CB-CD2 4.42Å; I154-L172 HydrophobicContact CD1-CD1 4.04Å; F159-L172 HydrophobicContact CZ-CD2 4.11Å; L170-L172 HydrophobicContact CD1-CD2 4.27Å; L170-L172 HydrophobicContact CD2-CD2 4.47Å; L170-L172 HydrophobicContact CG-CD2 4.27Å; L170-L172 HydrophobicContact CG-CG 4.45Å; L172-L174 HydrophobicContact CB-CD2 3.98Å; L172-L185 HydrophobicContact CD1-CD2 3.98Å; L172-I193 HydrophobicContact CD1-CD1 4.15Å; L172-Q194 PolarHBondContact N-O 3.13Å; L172-D196 PolarHBondContact O-N 2.93Å; L172-L207 HydrophobicContact CD1-CD1 4.29Å
173	S	91.6	Very high	89.7	Confident	8 Å²	8	57.6 Å²	57.6	6%	0.056	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	107	171	-62	0	0	0	0	108.9	L149 G150 A151	L149-S173 PolarHBondContact O-N 2.84Å; G150-S173 CarbonylContact C-O 3.26Å; G150-S173 VanDerWaalsContact CA-O 3.29Å; G150-S173 WeakPolarHBondContact CA-O 3.46Å; A151-S173 PolarHBondContact N-O 3.17Å
174	L	87.7	Confident	89.8	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	137.1	-173.4	-48.9	179.2	0	0	0	110.5	A151 L172 L178 V195 D196 L197 N198 L207	A151-L174 HydrophobicContact CB-CD2 4.42Å; L172-L174 HydrophobicContact CB-CD2 3.98Å; L174-L178 HydrophobicContact CD1-CD2 4Å; L174-L178 HydrophobicContact CD2-CD1 4.22Å; L174-L178 HydrophobicContact CD2-CD2 3.95Å; L174-L178 HydrophobicContact CG-CD2 4.48Å; L174-V195 HydrophobicContact CD1-CG1 3.45Å; L174-V195 VanDerWaalsContact CD1-CG1 3.45Å; L174-V195 HydrophobicContact CG-CG1 4.06Å; L174-D196 PolarHBondContact N-O 2.73Å; L174-L197 HydrophobicContact CD1-CD2 3.65Å; L174-L197 HydrophobicContact CD1-CG 4.26Å; L174-N198 PolarHBondContact O-ND2 3.16Å; L174-L207 HydrophobicContact CD1-CD2 3.73Å; L174-L207 HydrophobicContact CD2-CD2 4.37Å
175	E	79.2	Confident	90.1	Very high	42 Å²	42	49 Å²	49	20%	0.196	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	170.4	170.6	-63	-168.4	-137.2	0	0	111.2	A151 K152 E177	A151-E175 PolarHBondContact O-N 3.12Å; A151-E175 VanDerWaalsContact O-N 3.15Å; K152-E175 WeakPolarHBondContact CE-OE1 3.32Å; K152-E175 WeakPolarHBondContact CE-OE2 3.45Å; K152-E175 HydrophobicContact CG-CB 3.99Å; K152-E175 HydrophobicContact CG-CG 4.11Å; K152-E175 IonicContact NZ-OE2 3.54Å; E175-E177 PolarHBondContact O-N 3.01Å
176	E	72.3	Confident	90.1	Very high	195 Å²	195	53.3 Å²	53.3	91%	0.911	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	-33.6	-167.1	-67.5	-175.7	168.9	0	0	115.1
177	E	75.4	Confident	90.2	Very high	176 Å²	176	49.5 Å²	49.5	82%	0.822	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	102.9	174.9	-66.9	-174.3	168.5	0	0	109.4	E175	E175-E177 PolarHBondContact O-N 3.01Å
178	L	84.3	Confident	89.9	Confident	14 Å²	14	49.1 Å²	49.1	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.1	172.2	179.1	73.1	0	0	0	110	A151 K152 I154 L174 Q204 L207	A151-L178 HydrophobicContact CB-CD1 4.37Å; K152-L178 WeakPolarHBondContact O-CA 3.16Å; I154-L178 HydrophobicContact CD1-CD1 4.18Å; I154-L178 HydrophobicContact CG1-CD1 4.14Å; L174-L178 HydrophobicContact CD1-CD2 4Å; L174-L178 HydrophobicContact CD2-CD1 4.22Å; L174-L178 HydrophobicContact CD2-CD2 3.95Å; L174-L178 HydrophobicContact CG-CD2 4.48Å; L178-Q204 HydrophobicContact CB-CG 4.29Å; L178-Q204 HydrophobicContact CD2-CB 4.35Å; L178-Q204 HydrophobicContact CD2-CG 3.97Å; L178-Q204 HydrophobicContact CG-CG 4.24Å; L178-Q204 WeakPolarHBondContact O-CG 3.42Å; L178-Q204 PolarHBondContact O-NE2 3.36Å; L178-L207 HydrophobicContact CD2-CD2 3.77Å
179	D	87.1	Confident	89.5	Confident	103 Å²	103	48.7 Å²	48.7	55%	0.551	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.5	160.5	-166.8	6.5	0	0	0	109.4	K152 V153 I154	K152-D179 PolarHBondContact O-N 2.68Å; V153-D179 CarbonylContact C-O 3.58Å; V153-D179 VanDerWaalsContact CA-O 3.3Å; V153-D179 WeakPolarHBondContact CA-O 3.46Å; V153-D179 HydrophobicContact CG1-CB 4.28Å; V153-D179 HydrophobicContact CG2-CB 4.2Å; I154-D179 PolarHBondContact N-O 3.09Å
180	Y	90.8	Very high	89.3	Confident	11 Å²	11	48.8 Å²	48.8	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.9	-173.5	-175.8	-87.6	0	0	0	111	I154 S184 L185 E206 L207 D210	I154-Y180 HydrophobicContact CB-CD2 3.78Å; I154-Y180 HydrophobicContact CB-CE2 4.11Å; I154-Y180 HydrophobicContact CD1-CD2 4.18Å; I154-Y180 HydrophobicContact CD1-CE2 4.39Å; I154-Y180 HydrophobicContact CG2-CD2 4.02Å; I154-Y180 HydrophobicContact CG2-CE2 3.81Å; Y180-S184 PolarHBondContact OH-N 3.23Å; Y180-L185 HydrophobicContact CE2-CG 4.29Å; Y180-L185 WeakPolarHBondContact OH-CG 3.32Å; Y180-L185 PolarHBondContact OH-N 2.79Å; Y180-E206 HydrophobicContact CD1-CB 3.76Å; Y180-E206 HydrophobicContact CE1-CB 3.98Å; Y180-L207 HydrophobicContact CD1-CB 4.04Å; Y180-L207 HydrophobicContact CD2-CB 3.94Å; Y180-L207 HydrophobicContact CD2-CD1 3.82Å; Y180-L207 HydrophobicContact CD2-CG 4.39Å; Y180-L207 HydrophobicContact CE1-CB 4.2Å; Y180-L207 HydrophobicContact CE2-CB 4.14Å; Y180-L207 HydrophobicContact CE2-CD1 3.47Å; Y180-L207 VanDerWaalsContact CE2-CD1 3.47Å; Y180-L207 HydrophobicContact CE2-CG 4.4Å; Y180-L207 HydrophobicContact CG-CB 3.92Å; Y180-D210 WeakPolarHBondContact CE1-OD2 3.42Å; Y180-D210 PolarHBondContact OH-OD2 2.85Å
181	E	92.8	Very high	89.2	Confident	95 Å²	95	53.3 Å²	53.3	44%	0.444	27%	0.268	S	S	.	.			trans	-88.1	132.2	172.7	-170	-179	-176.3	0	0	110.9	I154 L156 S184	I154-E181 PolarHBondContact O-N 3.4Å; L156-E181 WeakPolarHBondContact CB-OE2 3.4Å; L156-E181 PolarHBondContact N-OE2 3.2Å; E181-S184 VanDerWaalsContact O-CB 3.31Å; E181-S184 WeakPolarHBondContact O-CB 3.23Å; E181-S184 PolarHBondContact O-N 3.49Å; E181-S184 PolarHBondContact O-OG 2.96Å
182	A	92.1	Very high	89.3	Confident	35 Å²	35	54.6 Å²	54.6	29%	0.289	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	143	-179.5	0	0	0	0	0	112.9	S184 E206	A182-S184 VanDerWaalsContact C-N 3.28Å; A182-E206 HydrophobicContact CB-CB 4.15Å; A182-E206 HydrophobicContact CB-CG 4.12Å
183	N	93.1	Very high	89.4	Confident	81 Å²	81	54.6 Å²	54.6	43%	0.433	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	9.8	-174.6	-49	-89.2	0	0	0	115.5	L156 L185 M186 D210	L156-N183 HydrophobicContact CD1-CB 4.37Å; N183-L185 PolarHBondContact O-N 3.29Å; N183-M186 HydrophobicContact CB-SD 4.36Å; N183-M186 WeakPolarHBondContact O-CB 3.37Å; N183-M186 WeakPolarHBondContact O-CG 3.43Å; N183-M186 PolarHBondContact O-N 2.78Å; N183-M186 VanDerWaalsContact O-N 3.09Å; N183-D210 WeakPolarHBondContact CA-OD2 3.5Å; N183-D210 PolarHBondContact N-OD1 3.47Å; N183-D210 PolarHBondContact N-OD2 2.73Å
184	S	94.5	Very high	89.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-62.8	-27.2	-178.6	-63.2	0	0	0	0	113.9	S155 L156 F159 Y180 E181 A182 M186 D210	S155-S184 PolarHBondContact O-OG 2.72Å; L156-S184 PolarHBondContact N-OG 3.3Å; F159-S184 WeakPolarHBondContact CD2-O 3.08Å; Y180-S184 PolarHBondContact OH-N 3.23Å; E181-S184 VanDerWaalsContact O-CB 3.31Å; E181-S184 WeakPolarHBondContact O-CB 3.23Å; E181-S184 PolarHBondContact O-N 3.49Å; E181-S184 PolarHBondContact O-OG 2.96Å; A182-S184 VanDerWaalsContact C-N 3.28Å; S184-M186 VanDerWaalsContact C-N 3.29Å; S184-M186 PolarHBondContact O-N 2.98Å; S184-D210 PolarHBondContact N-OD2 3.22Å
185	L	94	Very high	89.9	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-82.7	5.4	176.8	-64.7	174.2	0	0	0	114.6	F159 L170 L172 Y180 N183 D187 S188 I193 L207 D210 F214 F215	F159-L185 HydrophobicContact CD2-CD2 4.28Å; F159-L185 HydrophobicContact CE2-CD2 3.7Å; F159-L185 HydrophobicContact CZ-CD2 4.1Å; L170-L185 HydrophobicContact CD2-CD2 4.32Å; L172-L185 HydrophobicContact CD1-CD2 3.98Å; Y180-L185 HydrophobicContact CE2-CG 4.29Å; Y180-L185 WeakPolarHBondContact OH-CG 3.32Å; Y180-L185 PolarHBondContact OH-N 2.79Å; N183-L185 PolarHBondContact O-N 3.29Å; L185-D187 PolarHBondContact O-N 2.93Å; L185-S188 WeakPolarHBondContact CA-OG 3.43Å; L185-S188 WeakPolarHBondContact CB-OG 3.44Å; L185-S188 PolarHBondContact O-N 3.11Å; L185-S188 PolarHBondContact O-OG 3.13Å; L185-I193 HydrophobicContact CD1-CD1 3.53Å; L185-I193 HydrophobicContact CD2-CD1 4.32Å; L185-L207 HydrophobicContact CD1-CD1 3.65Å; L185-L207 HydrophobicContact CG-CD1 4.47Å; L185-D210 HydrophobicContact CB-CB 4.17Å; L185-D210 HydrophobicContact CD1-CB 4.12Å; L185-F214 HydrophobicContact CB-CD2 4.13Å; L185-F215 HydrophobicContact CB-CE2 4.11Å; L185-F215 HydrophobicContact CB-CZ 4.5Å; L185-F215 HydrophobicContact CD1-CE2 4.1Å
186	M	92.3	Very high	90.4	Very high	93 Å²	93	54 Å²	54	46%	0.458	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-63.6	-31.2	-177.9	69.9	-175.1	-64.3	0	0	113.5	L156 N183 S184 F214	L156-M186 HydrophobicContact CD1-SD 3.89Å; N183-M186 HydrophobicContact CB-SD 4.36Å; N183-M186 WeakPolarHBondContact O-CB 3.37Å; N183-M186 WeakPolarHBondContact O-CG 3.43Å; N183-M186 PolarHBondContact O-N 2.78Å; N183-M186 VanDerWaalsContact O-N 3.09Å; S184-M186 VanDerWaalsContact C-N 3.29Å; S184-M186 PolarHBondContact O-N 2.98Å; M186-F214 HydrophobicContact CB-CE2 4.01Å; M186-F214 HydrophobicContact CB-CZ 4.1Å
187	D	91.9	Very high	91	Very high	33 Å²	33	45.7 Å²	45.7	18%	0.176	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-88	-5.7	-179.4	-68.3	-40.3	0	0	0	112.5	F159 K160 A163 L185 H189	F159-D187 HydrophobicContact CB-CB 4.11Å; K160-D187 VanDerWaalsContact CG-OD2 3.22Å; K160-D187 WeakPolarHBondContact CG-OD2 3.34Å; A163-D187 WeakPolarHBondContact CA-O 3.43Å; A163-D187 HydrophobicContact CB-CB 4.32Å; L185-D187 PolarHBondContact O-N 2.93Å; D187-H189 PolarHBondContact O-N 2.78Å
188	S	89.3	Confident	91.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.021	21%	0.205	C	C	.	.			trans	-87.9	88.7	176.2	46.8	0	0	0	0	110.9	L185 A190 F215	L185-S188 WeakPolarHBondContact CA-OG 3.43Å; L185-S188 WeakPolarHBondContact CB-OG 3.44Å; L185-S188 PolarHBondContact O-N 3.11Å; L185-S188 PolarHBondContact O-OG 3.13Å; S188-A190 PolarHBondContact O-N 3.33Å; S188-A190 VanDerWaalsContact O-N 3.11Å; S188-F215 WeakPolarHBondContact OG-CZ 3.31Å
189	H	87.1	Confident	90.3	Very high	107 Å²	107	41.3 Å²	41.3	50%	0.495	22%	0.224	S	C	.	.			trans	-77.2	92.3	173.3	-62.1	125.1	0	0	0	110.8	A163 L167 D187	A163-H189 PolarHBondContact O-CE1 2.84Å; A163-H189 PolarHBondContact O-ND1 3.07Å; L167-H189 PolarHBondContact N-O 3.33Å; L167-H189 VanDerWaalsContact N-O 3.13Å; D187-H189 PolarHBondContact O-N 2.78Å
190	A	93.6	Very high	89.5	Confident	15 Å²	15	37.5 Å²	37.5	12%	0.124	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.7	169.3	0	0	0	0	0	112.5	L167 L170 S188 F215	L167-A190 HydrophobicContact CB-CB 3.7Å; L167-A190 VanDerWaalsContact O-CA 3.23Å; L167-A190 WeakPolarHBondContact O-CA 3.43Å; L170-A190 HydrophobicContact CB-CB 4.25Å; S188-A190 PolarHBondContact O-N 3.33Å; S188-A190 VanDerWaalsContact O-N 3.11Å; A190-F215 HydrophobicContact CB-CD1 4.16Å; A190-F215 HydrophobicContact CB-CE1 3.75Å; A190-F215 VanDerWaalsContact O-CD1 3.31Å; A190-F215 WeakPolarHBondContact O-CD1 3.35Å
191	E	94.8	Very high	88.6	Confident	95 Å²	95	43.7 Å²	43.7	44%	0.444	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-42.2	173.3	-175	167.9	-166	0	0	111.4	L167 Y168 V216 E217	L167-E191 PolarHBondContact O-N 3.36Å; Y168-E191 HydrophobicContact CD2-CB 4.3Å; Y168-E191 WeakPolarHBondContact CD2-OE2 3.43Å; Y168-E191 PolarHBondContact O-N 3.16Å; E191-V216 PolarHBondContact O-N 2.74Å; E191-E217 PolarHBondContact O-N 3Å; E191-E217 VanDerWaalsContact O-N 3.09Å
192	K	96.9	Very high	87.6	Confident	35 Å²	35	39.4 Å²	39.4	15%	0.152	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.9	-178.8	-176	176.4	-175.7	-178	0	112.4	Y168 C169 L170 E217 E219	Y168-K192 PolarHBondContact O-N 2.96Å; C169-K192 WeakPolarHBondContact CA-O 3.48Å; C169-K192 HydrophobicContact CB-CB 4.37Å; L170-K192 PolarHBondContact N-O 2.95Å; K192-E217 WeakPolarHBondContact CA-O 3.31Å; K192-E217 HydrophobicContact CB-CB 3.93Å; K192-E217 HydrophobicContact CD-CB 4.42Å; K192-E217 HydrophobicContact CG-CB 3.83Å; K192-E219 VanDerWaalsContact CE-OE2 3.28Å; K192-E219 WeakPolarHBondContact CE-OE2 3.36Å; K192-E219 IonicContact NZ-OE2 3.25Å; K192-E219 PolarHBondContact NZ-OE2 3.01Å
193	I	96.8	Very high	86.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.8	162.8	-171.7	167.6	0	0	0	110.7	L170 L172 L185 V195 A211 F215 E217 V218 E219	L170-I193 CarbonylContact O-C 3.57Å; L170-I193 WeakPolarHBondContact O-CA 3.38Å; L172-I193 HydrophobicContact CD1-CD1 4.15Å; L185-I193 HydrophobicContact CD1-CD1 3.53Å; L185-I193 HydrophobicContact CD2-CD1 4.32Å; I193-V195 HydrophobicContact CD1-CG2 4.25Å; I193-V195 HydrophobicContact CG1-CG2 4.14Å; I193-A211 HydrophobicContact CD1-CB 4.41Å; I193-A211 HydrophobicContact CG2-CB 3.95Å; I193-F215 HydrophobicContact CB-CB 4.36Å; I193-F215 HydrophobicContact CB-CD1 3.65Å; I193-F215 HydrophobicContact CB-CD2 3.93Å; I193-F215 HydrophobicContact CB-CE1 3.82Å; I193-F215 HydrophobicContact CB-CE2 4.09Å; I193-F215 HydrophobicContact CB-CG 3.69Å; I193-F215 HydrophobicContact CB-CZ 4.02Å; I193-F215 HydrophobicContact CD1-CD2 4.26Å; I193-F215 HydrophobicContact CD1-CE1 4.49Å; I193-F215 HydrophobicContact CD1-CE2 3.73Å; I193-F215 HydrophobicContact CD1-CZ 3.85Å; I193-F215 HydrophobicContact CG1-CE2 4.49Å; I193-F215 HydrophobicContact CG1-CZ 4.38Å; I193-F215 HydrophobicContact CG2-CB 3.75Å; I193-F215 HydrophobicContact CG2-CD1 4Å; I193-F215 HydrophobicContact CG2-CD2 3.63Å; I193-F215 HydrophobicContact CG2-CE2 4.19Å; I193-F215 HydrophobicContact CG2-CG 3.49Å; I193-F215 VanDerWaalsContact CG2-CG 3.49Å; I193-E217 PolarHBondContact N-O 3.33Å; I193-V218 HydrophobicContact CG2-CB 4.29Å; I193-V218 HydrophobicContact CG2-CG1 4.24Å; I193-V218 HydrophobicContact CG2-CG2 3.85Å; I193-E219 PolarHBondContact O-N 2.94Å
194	Q	95.9	Very high	86	Confident	19 Å²	19	40.1 Å²	40.1	9%	0.089	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.9	172.3	-173.4	-170.9	-58.3	0	0	109.5	L170 T171 L172 E219 R221	L170-Q194 PolarHBondContact O-N 2.85Å; T171-Q194 CarbonylContact C-O 3.54Å; T171-Q194 VanDerWaalsContact CA-O 3.29Å; T171-Q194 WeakPolarHBondContact CA-O 3.39Å; T171-Q194 HydrophobicContact CG2-CB 4.11Å; T171-Q194 HydrophobicContact CG2-CG 4.21Å; L172-Q194 PolarHBondContact N-O 3.13Å; Q194-E219 CarbonylContact C-O 3.58Å; Q194-E219 VanDerWaalsContact CA-O 3.31Å; Q194-E219 WeakPolarHBondContact CA-O 3.23Å; Q194-E219 HydrophobicContact CB-CB 4.45Å; Q194-E219 HydrophobicContact CG-CB 4.22Å; Q194-E219 HydrophobicContact CG-CG 4.29Å; Q194-R221 HydrophobicContact CG-CG 4.23Å
195	V	93.6	Very high	85.5	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.3	178.6	-177.3	0	0	0	0	108.7	L174 I193 L197 L207 E219 V220 R221	L174-V195 HydrophobicContact CD1-CG1 3.45Å; L174-V195 VanDerWaalsContact CD1-CG1 3.45Å; L174-V195 HydrophobicContact CG-CG1 4.06Å; I193-V195 HydrophobicContact CD1-CG2 4.25Å; I193-V195 HydrophobicContact CG1-CG2 4.14Å; V195-L197 HydrophobicContact CG1-CG 4.49Å; V195-L207 HydrophobicContact CG1-CD2 3.97Å; V195-E219 PolarHBondContact N-O 2.88Å; V195-V220 CarbonylContact O-C 3.23Å; V195-V220 WeakPolarHBondContact O-CA 3.34Å; V195-R221 PolarHBondContact O-N 2.87Å
196	D	90.8	Very high	85.3	Confident	23 Å²	23	45.1 Å²	45.1	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	115.7	176.6	-169.6	-14.3	0	0	0	110.1	L172 L174 N198 R221 N222	L172-D196 PolarHBondContact O-N 2.93Å; L174-D196 PolarHBondContact N-O 2.73Å; D196-N198 PolarHBondContact OD1-N 2.95Å; D196-N198 PolarHBondContact OD1-OD1 3.19Å; D196-R221 HydrophobicContact CB-CB 4.42Å; D196-N222 PolarHBondContact OD1-ND2 3.44Å; D196-N222 PolarHBondContact OD2-ND2 2.91Å
197	L	85.1	Confident	85.2	Confident	19 Å²	19	41 Å²	41	10%	0.099	22%	0.223	C	C	.	.			trans	-89.7	-2.1	-175.6	-70.9	148.6	0	0	0	113.7	L174 V195 G199 G200 I202 V220 R221 I223	L174-L197 HydrophobicContact CD1-CD2 3.65Å; L174-L197 HydrophobicContact CD1-CG 4.26Å; V195-L197 HydrophobicContact CG1-CG 4.49Å; L197-G199 PolarHBondContact O-N 3.42Å; L197-G199 VanDerWaalsContact O-N 3.13Å; L197-G200 WeakPolarHBondContact O-CA 3.37Å; L197-G200 PolarHBondContact O-N 3.09Å; L197-I202 HydrophobicContact CD1-CD1 4.05Å; L197-I202 HydrophobicContact CD1-CG1 3.43Å; L197-I202 VanDerWaalsContact CD1-CG1 3.43Å; L197-I202 HydrophobicContact CD2-CG1 4.15Å; L197-I202 HydrophobicContact CG-CG1 4.45Å; L197-V220 HydrophobicContact CD1-CG1 3.61Å; L197-R221 PolarHBondContact N-O 3.35Å; L197-R221 VanDerWaalsContact N-O 3.17Å; L197-I223 HydrophobicContact CD1-CB 4.3Å; L197-I223 HydrophobicContact CD1-CG1 3.66Å; L197-I223 HydrophobicContact CD1-CG2 4.36Å
198	N	77.8	Confident	85.1	Confident	53 Å²	53	39.9 Å²	39.9	28%	0.283	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	39	177.8	-66.1	-39.8	0	0	0	114.6	W126 L174 D196 G200	W126-N198 HydrophobicContact CH2-CB 3.88Å; W126-N198 WeakPolarHBondContact CH2-ND2 3.29Å; W126-N198 HydrophobicContact CZ2-CB 4.08Å; W126-N198 WeakPolarHBondContact CZ2-ND2 3.49Å; W126-N198 WeakPolarHBondContact CZ2-OD1 3.35Å; L174-N198 PolarHBondContact O-ND2 3.16Å; D196-N198 PolarHBondContact OD1-N 2.95Å; D196-N198 PolarHBondContact OD1-OD1 3.19Å; N198-G200 PolarHBondContact O-N 2.8Å
199	G	65.8	Low	85.2	Confident	45 Å²	45	39.7 Å²	39.7	46%	0.464	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	1.2	-179.4	0	0	0	0	0	114.2	L197 N222 S224	L197-G199 PolarHBondContact O-N 3.42Å; L197-G199 VanDerWaalsContact O-N 3.13Å; G199-N222 WeakPolarHBondContact CA-O 3.34Å; G199-N222 PolarHBondContact N-O 3.41Å; G199-S224 WeakPolarHBondContact O-CB 3.39Å; G199-S224 PolarHBondContact O-OG 2.69Å
200	G	69.9	Low	85.5	Confident	23 Å²	23	34.7 Å²	34.7	24%	0.237	19%	0.193	C	C	.	.			trans	-72.3	173	174.5	0	0	0	0	0	113.8	L197 N198 S224	L197-G200 WeakPolarHBondContact O-CA 3.37Å; L197-G200 PolarHBondContact O-N 3.09Å; N198-G200 PolarHBondContact O-N 2.8Å; G200-S224 PolarHBondContact O-N 2.83Å; G200-S224 PolarHBondContact O-OG 3.34Å
201	K	72	Confident	85.6	Confident	142 Å²	142	34 Å²	34	62%	0.617	19%	0.187	S	C	*	.	B	Isolated β-bridge	trans	-90.5	144.7	171.5	-65.4	177.8	-176.9	174.4	0	108.9	T203 G225	K201-T203 HydrophobicContact CB-CG2 4.31Å; K201-T203 PolarHBondContact O-N 2.99Å; K201-G225 WeakPolarHBondContact CA-O 3.43Å
202	I	72.4	Confident	85.5	Confident	5 Å²	5	29.7 Å²	29.7	3%	0.026	17%	0.167	C	C	.	.			trans	-64.7	108.7	163.4	-64.8	170.1	0	0	0	107.1	L197 L208 V220 I223 G225 Y229 V230	L197-I202 HydrophobicContact CD1-CD1 4.05Å; L197-I202 HydrophobicContact CD1-CG1 3.43Å; L197-I202 VanDerWaalsContact CD1-CG1 3.43Å; L197-I202 HydrophobicContact CD2-CG1 4.15Å; L197-I202 HydrophobicContact CG-CG1 4.45Å; I202-L208 HydrophobicContact CD1-CD1 4.26Å; I202-L208 HydrophobicContact CG2-CD1 3.4Å; I202-L208 VanDerWaalsContact CG2-CD1 3.4Å; I202-L208 HydrophobicContact CG2-CG 4.3Å; I202-V220 HydrophobicContact CD1-CG1 4.48Å; I202-I223 HydrophobicContact CD1-CD1 3.96Å; I202-I223 HydrophobicContact CD1-CG1 4.25Å; I202-I223 HydrophobicContact CD1-CG2 3.77Å; I202-I223 HydrophobicContact CG1-CG2 4.07Å; I202-G225 PolarHBondContact N-O 2.9Å; I202-Y229 HydrophobicContact CG2-CD2 4.47Å; I202-Y229 WeakPolarHBondContact O-CD2 3.47Å; I202-Y229 VanDerWaalsContact O-CE2 3.28Å; I202-Y229 WeakPolarHBondContact O-CE2 3.31Å; I202-V230 HydrophobicContact CD1-CG2 3.43Å; I202-V230 VanDerWaalsContact CD1-CG2 3.43Å
203	T	73.9	Confident	85.4	Confident	76 Å²	76	29.1 Å²	29.1	47%	0.466	17%	0.168	S	C	.	.			trans	-108.3	-29.6	175.8	51.4	0	0	0	0	111.4	K201 S205	K201-T203 HydrophobicContact CB-CG2 4.31Å; K201-T203 PolarHBondContact O-N 2.99Å; T203-S205 PolarHBondContact O-N 3.15Å
204	Q	78.4	Confident	85.2	Confident	54 Å²	54	33.1 Å²	33.1	25%	0.252	19%	0.185	S	C	.	.			trans	-94.1	98.9	-175.1	-62.9	-57.1	-18.5	0	0	112	L178 E206 L207	L178-Q204 HydrophobicContact CB-CG 4.29Å; L178-Q204 HydrophobicContact CD2-CB 4.35Å; L178-Q204 HydrophobicContact CD2-CG 3.97Å; L178-Q204 HydrophobicContact CG-CG 4.24Å; L178-Q204 WeakPolarHBondContact O-CG 3.42Å; L178-Q204 PolarHBondContact O-NE2 3.36Å; Q204-E206 VanDerWaalsContact C-N 3.3Å; Q204-E206 PolarHBondContact O-N 3.41Å; Q204-L207 HydrophobicContact CB-CB 4.16Å
205	S	83.8	Confident	85.2	Confident	33 Å²	33	32.2 Å²	32.2	23%	0.231	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-33.2	177.7	63.1	0	0	0	0	112.7	T203 A209	T203-S205 PolarHBondContact O-N 3.15Å; S205-A209 WeakPolarHBondContact O-CB 3.42Å; S205-A209 PolarHBondContact O-N 2.68Å; S205-A209 VanDerWaalsContact O-N 3.09Å
206	E	89.1	Confident	85.3	Confident	73 Å²	73	35 Å²	35	34%	0.341	20%	0.197	S	C	.	.	H	α-helix	trans	-70.1	-36.5	-177.3	-60.9	-51	126.3	0	0	112.8	Y180 A182 Q204 L208 A209 D210	Y180-E206 HydrophobicContact CD1-CB 3.76Å; Y180-E206 HydrophobicContact CE1-CB 3.98Å; A182-E206 HydrophobicContact CB-CB 4.15Å; A182-E206 HydrophobicContact CB-CG 4.12Å; Q204-E206 VanDerWaalsContact C-N 3.3Å; Q204-E206 PolarHBondContact O-N 3.41Å; E206-L208 PolarHBondContact O-N 3.26Å; E206-A209 WeakPolarHBondContact O-CA 3.26Å; E206-A209 WeakPolarHBondContact O-CB 3.33Å; E206-A209 PolarHBondContact O-N 3.29Å; E206-A209 VanDerWaalsContact O-N 3.1Å; E206-D210 PolarHBondContact O-N 2.97Å
207	L	91.3	Very high	85.6	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-49	175.5	172.2	64.9	0	0	0	111.5	L172 L174 L178 Y180 L185 V195 Q204 A209 D210 A211	L172-L207 HydrophobicContact CD1-CD1 4.29Å; L174-L207 HydrophobicContact CD1-CD2 3.73Å; L174-L207 HydrophobicContact CD2-CD2 4.37Å; L178-L207 HydrophobicContact CD2-CD2 3.77Å; Y180-L207 HydrophobicContact CD1-CB 4.04Å; Y180-L207 HydrophobicContact CD2-CB 3.94Å; Y180-L207 HydrophobicContact CD2-CD1 3.82Å; Y180-L207 HydrophobicContact CD2-CG 4.39Å; Y180-L207 HydrophobicContact CE1-CB 4.2Å; Y180-L207 HydrophobicContact CE2-CB 4.14Å; Y180-L207 HydrophobicContact CE2-CD1 3.47Å; Y180-L207 VanDerWaalsContact CE2-CD1 3.47Å; Y180-L207 HydrophobicContact CE2-CG 4.4Å; Y180-L207 HydrophobicContact CG-CB 3.92Å; L185-L207 HydrophobicContact CD1-CD1 3.65Å; L185-L207 HydrophobicContact CG-CD1 4.47Å; V195-L207 HydrophobicContact CG1-CD2 3.97Å; Q204-L207 HydrophobicContact CB-CB 4.16Å; L207-A209 PolarHBondContact O-N 2.97Å; L207-D210 PolarHBondContact O-N 2.89Å; L207-A211 WeakPolarHBondContact O-CB 3.49Å; L207-A211 PolarHBondContact O-N 2.81Å
208	L	89.9	Confident	86.2	Confident	9 Å²	9	35.4 Å²	35.4	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-35.9	176.1	-71.5	174.7	0	0	0	111.7	I202 E206 D210 A211 L212 V220 V230	I202-L208 HydrophobicContact CD1-CD1 4.26Å; I202-L208 HydrophobicContact CG2-CD1 3.4Å; I202-L208 VanDerWaalsContact CG2-CD1 3.4Å; I202-L208 HydrophobicContact CG2-CG 4.3Å; E206-L208 PolarHBondContact O-N 3.26Å; L208-D210 VanDerWaalsContact C-N 3.33Å; L208-A211 PolarHBondContact O-N 3.41Å; L208-L212 WeakPolarHBondContact O-CB 3.26Å; L208-L212 VanDerWaalsContact O-CG 3.23Å; L208-L212 WeakPolarHBondContact O-CG 3.43Å; L208-L212 PolarHBondContact O-N 2.92Å; L208-V220 HydrophobicContact CD2-CG2 4.21Å; L208-V230 HydrophobicContact CD1-CB 4.33Å; L208-V230 HydrophobicContact CD1-CG2 3.65Å
209	A	91.1	Very high	87	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-46.3	179.1	0	0	0	0	0	110.2	S205 E206 L207 S213 Q233 R237	S205-A209 WeakPolarHBondContact O-CB 3.42Å; S205-A209 PolarHBondContact O-N 2.68Å; S205-A209 VanDerWaalsContact O-N 3.09Å; E206-A209 WeakPolarHBondContact O-CA 3.26Å; E206-A209 WeakPolarHBondContact O-CB 3.33Å; E206-A209 PolarHBondContact O-N 3.29Å; E206-A209 VanDerWaalsContact O-N 3.1Å; L207-A209 PolarHBondContact O-N 2.97Å; A209-S213 WeakPolarHBondContact O-CB 3.26Å; A209-S213 PolarHBondContact O-N 3.29Å; A209-S213 PolarHBondContact O-OG 3.12Å; A209-Q233 HydrophobicContact CB-CG 4.41Å; A209-Q233 VanDerWaalsContact CB-OE1 3.29Å; A209-R237 PolarHBondContact O-NE 3.28Å; A209-R237 PolarHBondContact O-NH2 3.46Å; A209-R237 VanDerWaalsContact O-NH2 3.16Å
210	D	93.6	Very high	88.3	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-69.1	-43.5	177	-69.8	-10.5	0	0	0	111.9	Y180 N183 S184 L185 E206 L207 L208 L212 S213 F214	Y180-D210 WeakPolarHBondContact CE1-OD2 3.42Å; Y180-D210 PolarHBondContact OH-OD2 2.85Å; N183-D210 WeakPolarHBondContact CA-OD2 3.5Å; N183-D210 PolarHBondContact N-OD1 3.47Å; N183-D210 PolarHBondContact N-OD2 2.73Å; S184-D210 PolarHBondContact N-OD2 3.22Å; L185-D210 HydrophobicContact CB-CB 4.17Å; L185-D210 HydrophobicContact CD1-CB 4.12Å; E206-D210 PolarHBondContact O-N 2.97Å; L207-D210 PolarHBondContact O-N 2.89Å; L208-D210 VanDerWaalsContact C-N 3.33Å; D210-L212 VanDerWaalsContact C-N 3.31Å; D210-L212 PolarHBondContact O-N 3.46Å; D210-S213 PolarHBondContact O-N 2.87Å; D210-F214 HydrophobicContact CB-CD2 3.92Å; D210-F214 HydrophobicContact CB-CE2 3.82Å; D210-F214 WeakPolarHBondContact O-CD2 3.48Å; D210-F214 PolarHBondContact O-N 2.73Å
211	A	94.3	Very high	89.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-54.1	-47.6	175.6	0	0	0	0	0	111.7	I193 L207 L208 S213 F215 V218	I193-A211 HydrophobicContact CD1-CB 4.41Å; I193-A211 HydrophobicContact CG2-CB 3.95Å; L207-A211 WeakPolarHBondContact O-CB 3.49Å; L207-A211 PolarHBondContact O-N 2.81Å; L208-A211 PolarHBondContact O-N 3.41Å; A211-S213 PolarHBondContact O-N 3.2Å; A211-F215 WeakPolarHBondContact O-CB 3.39Å; A211-F215 WeakPolarHBondContact O-CD2 3.26Å; A211-F215 PolarHBondContact O-N 3.43Å; A211-V218 HydrophobicContact CB-CG1 4.23Å; A211-V218 HydrophobicContact CB-CG2 4.33Å; A211-V218 WeakPolarHBondContact O-CG2 3.28Å
212	L	93.8	Very high	90.2	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-68	-14.7	179.9	-70.5	170.8	0	0	0	114.4	L208 D210 V218 Q233 L234 S241 T242 I269	L208-L212 WeakPolarHBondContact O-CB 3.26Å; L208-L212 VanDerWaalsContact O-CG 3.23Å; L208-L212 WeakPolarHBondContact O-CG 3.43Å; L208-L212 PolarHBondContact O-N 2.92Å; D210-L212 VanDerWaalsContact C-N 3.31Å; D210-L212 PolarHBondContact O-N 3.46Å; L212-V218 HydrophobicContact CD2-CG2 4.46Å; L212-Q233 HydrophobicContact CD1-CB 4.38Å; L212-L234 HydrophobicContact CD1-CD2 3.99Å; L212-L234 HydrophobicContact CD1-CG 4.45Å; L212-L234 HydrophobicContact CD2-CD2 4.35Å; L212-S241 PolarHBondContact O-N 2.97Å; L212-S241 PolarHBondContact O-OG 3.31Å; L212-T242 VanDerWaalsContact CA-OG1 3.25Å; L212-T242 WeakPolarHBondContact CA-OG1 3.21Å; L212-T242 HydrophobicContact CD2-CG2 4.39Å; L212-T242 PolarHBondContact O-N 2.83Å; L212-T242 PolarHBondContact O-OG1 3.46Å; L212-T242 VanDerWaalsContact O-OG1 3.1Å; L212-I269 HydrophobicContact CD2-CD1 4.48Å
213	S	93.4	Very high	90.9	Very high	24 Å²	24	29.3 Å²	29.3	17%	0.168	15%	0.151	C	C	.	.	H	α-helix	trans	-110.6	-24.6	-170.7	-55.3	0	0	0	0	114.3	A209 D210 A211 R237 S241	A209-S213 WeakPolarHBondContact O-CB 3.26Å; A209-S213 PolarHBondContact O-N 3.29Å; A209-S213 PolarHBondContact O-OG 3.12Å; D210-S213 PolarHBondContact O-N 2.87Å; A211-S213 PolarHBondContact O-N 3.2Å; S213-R237 PolarHBondContact OG-NH1 3.03Å; S213-S241 WeakPolarHBondContact CA-OG 3.4Å; S213-S241 WeakPolarHBondContact O-CB 3.47Å; S213-S241 PolarHBondContact O-OG 2.76Å
214	F	93.6	Very high	91.4	Very high	83 Å²	83	28.4 Å²	28.4	36%	0.364	15%	0.148	S	C	.	.	H	α-helix	trans	-108	-18.8	-177.9	-56.7	-37.8	0	0	0	113	L185 M186 D210 S241	L185-F214 HydrophobicContact CB-CD2 4.13Å; M186-F214 HydrophobicContact CB-CE2 4.01Å; M186-F214 HydrophobicContact CB-CZ 4.1Å; D210-F214 HydrophobicContact CB-CD2 3.92Å; D210-F214 HydrophobicContact CB-CE2 3.82Å; D210-F214 WeakPolarHBondContact O-CD2 3.48Å; D210-F214 PolarHBondContact O-N 2.73Å; F214-S241 PolarHBondContact N-OG 2.99Å
215	F	95.6	Very high	91.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.			trans	-114.4	147.7	-174.8	-58.5	-94.1	0	0	0	112.4	L185 S188 A190 I193 A211 V218 S241 T242	L185-F215 HydrophobicContact CB-CE2 4.11Å; L185-F215 HydrophobicContact CB-CZ 4.5Å; L185-F215 HydrophobicContact CD1-CE2 4.1Å; S188-F215 WeakPolarHBondContact OG-CZ 3.31Å; A190-F215 HydrophobicContact CB-CD1 4.16Å; A190-F215 HydrophobicContact CB-CE1 3.75Å; A190-F215 VanDerWaalsContact O-CD1 3.31Å; A190-F215 WeakPolarHBondContact O-CD1 3.35Å; I193-F215 HydrophobicContact CB-CB 4.36Å; I193-F215 HydrophobicContact CB-CD1 3.65Å; I193-F215 HydrophobicContact CB-CD2 3.93Å; I193-F215 HydrophobicContact CB-CE1 3.82Å; I193-F215 HydrophobicContact CB-CE2 4.09Å; I193-F215 HydrophobicContact CB-CG 3.69Å; I193-F215 HydrophobicContact CB-CZ 4.02Å; I193-F215 HydrophobicContact CD1-CD2 4.26Å; I193-F215 HydrophobicContact CD1-CE1 4.49Å; I193-F215 HydrophobicContact CD1-CE2 3.73Å; I193-F215 HydrophobicContact CD1-CZ 3.85Å; I193-F215 HydrophobicContact CG1-CE2 4.49Å; I193-F215 HydrophobicContact CG1-CZ 4.38Å; I193-F215 HydrophobicContact CG2-CB 3.75Å; I193-F215 HydrophobicContact CG2-CD1 4Å; I193-F215 HydrophobicContact CG2-CD2 3.63Å; I193-F215 HydrophobicContact CG2-CE2 4.19Å; I193-F215 HydrophobicContact CG2-CG 3.49Å; I193-F215 VanDerWaalsContact CG2-CG 3.49Å; A211-F215 WeakPolarHBondContact O-CB 3.39Å; A211-F215 WeakPolarHBondContact O-CD2 3.26Å; A211-F215 PolarHBondContact O-N 3.43Å; F215-V218 HydrophobicContact CB-CG2 4.22Å; F215-S241 PolarHBondContact O-OG 2.95Å; F215-T242 VanDerWaalsContact O-CA 3.26Å; F215-T242 WeakPolarHBondContact O-CA 3.48Å; F215-T242 PolarHBondContact O-N 2.99Å; F215-T242 PolarHBondContact O-OG1 3.08Å
216	V	96	Very high	91.6	Very high	60 Å²	60	25.8 Å²	25.8	36%	0.364	14%	0.14	S	C	.	.	S	Bend	trans	-81.9	-39.2	177.3	-179.8	0	0	0	0	110.1	E191 T242 R243 T244	E191-V216 PolarHBondContact O-N 2.74Å; V216-T242 CarbonylContact O-C 3.12Å; V216-T242 WeakPolarHBondContact O-CA 3.5Å; V216-R243 HydrophobicContact CG1-CB 4.16Å; V216-R243 HydrophobicContact CG1-CG 4.24Å; V216-R243 PolarHBondContact O-N 2.75Å; V216-T244 PolarHBondContact O-N 2.76Å
217	E	97.6	Very high	91.4	Very high	50 Å²	50	22.7 Å²	22.7	23%	0.234	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.8	175.7	-57.7	-171.7	-178.9	0	0	110.7	E191 K192 I193 T244	E191-E217 PolarHBondContact O-N 3Å; E191-E217 VanDerWaalsContact O-N 3.09Å; K192-E217 WeakPolarHBondContact CA-O 3.31Å; K192-E217 HydrophobicContact CB-CB 3.93Å; K192-E217 HydrophobicContact CD-CB 4.42Å; K192-E217 HydrophobicContact CG-CB 3.83Å; I193-E217 PolarHBondContact N-O 3.33Å; E217-T244 WeakPolarHBondContact CA-O 3.44Å
218	V	96.6	Very high	91	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.2	177.4	178.1	0	0	0	0	108.6	I193 A211 L212 F215 V220 T242 T244 L245 S246	I193-V218 HydrophobicContact CG2-CB 4.29Å; I193-V218 HydrophobicContact CG2-CG1 4.24Å; I193-V218 HydrophobicContact CG2-CG2 3.85Å; A211-V218 HydrophobicContact CB-CG1 4.23Å; A211-V218 HydrophobicContact CB-CG2 4.33Å; A211-V218 WeakPolarHBondContact O-CG2 3.28Å; L212-V218 HydrophobicContact CD2-CG2 4.46Å; F215-V218 HydrophobicContact CB-CG2 4.22Å; V218-V220 HydrophobicContact CG1-CG2 4.23Å; V218-T242 HydrophobicContact CB-CG2 4.04Å; V218-T242 HydrophobicContact CG2-CG2 3.72Å; V218-T242 WeakPolarHBondContact CG2-OG1 3.35Å; V218-T244 PolarHBondContact N-O 3.25Å; V218-L245 HydrophobicContact CB-CD1 4.09Å; V218-L245 HydrophobicContact CG1-CD1 4.02Å; V218-L245 WeakPolarHBondContact O-CA 3.42Å; V218-S246 PolarHBondContact O-N 2.69Å
219	E	95.9	Very high	90.7	Very high	14 Å²	14	31 Å²	31	7%	0.065	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.4	173.2	-175.3	177.3	175.7	0	0	110.4	K192 I193 Q194 V195 R221 S246	K192-E219 VanDerWaalsContact CE-OE2 3.28Å; K192-E219 WeakPolarHBondContact CE-OE2 3.36Å; K192-E219 IonicContact NZ-OE2 3.25Å; K192-E219 PolarHBondContact NZ-OE2 3.01Å; I193-E219 PolarHBondContact O-N 2.94Å; Q194-E219 CarbonylContact C-O 3.58Å; Q194-E219 VanDerWaalsContact CA-O 3.31Å; Q194-E219 WeakPolarHBondContact CA-O 3.23Å; Q194-E219 HydrophobicContact CB-CB 4.45Å; Q194-E219 HydrophobicContact CG-CB 4.22Å; Q194-E219 HydrophobicContact CG-CG 4.29Å; V195-E219 PolarHBondContact N-O 2.88Å; E219-R221 VanDerWaalsContact CD-NH2 3.29Å; E219-R221 HydrophobicContact CG-CG 4.23Å; E219-R221 IonicContact OE1-CZ 2.79Å; E219-R221 IonicContact OE1-NE 3.19Å; E219-R221 PolarHBondContact OE1-NE 3.17Å; E219-R221 IonicContact OE1-NH2 2.74Å; E219-R221 PolarHBondContact OE1-NH2 3.35Å; E219-R221 IonicContact OE2-CZ 2.96Å; E219-R221 IonicContact OE2-NE 3.91Å; E219-R221 IonicContact OE2-NH2 2.69Å; E219-R221 PolarHBondContact OE2-NH2 3.3Å; E219-R221 VanDerWaalsContact OE2-NH2 3.08Å; E219-S246 CarbonylContact C-O 3.41Å; E219-S246 VanDerWaalsContact CA-O 3.3Å; E219-S246 WeakPolarHBondContact CA-O 3.31Å
220	V	92.9	Very high	90.5	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.036	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125	175.2	-168.6	0	0	0	0	109.4	V195 L197 I202 L208 V218 I223 S246 V247 N248	V195-V220 CarbonylContact O-C 3.23Å; V195-V220 WeakPolarHBondContact O-CA 3.34Å; L197-V220 HydrophobicContact CD1-CG1 3.61Å; I202-V220 HydrophobicContact CD1-CG1 4.48Å; L208-V220 HydrophobicContact CD2-CG2 4.21Å; V218-V220 HydrophobicContact CG1-CG2 4.23Å; V220-I223 HydrophobicContact CB-CD1 3.86Å; V220-I223 HydrophobicContact CB-CG1 4.37Å; V220-I223 HydrophobicContact CG1-CD1 3.42Å; V220-I223 VanDerWaalsContact CG1-CD1 3.42Å; V220-I223 HydrophobicContact CG1-CG1 3.54Å; V220-S246 PolarHBondContact N-O 2.97Å; V220-V247 WeakPolarHBondContact O-CA 3.22Å; V220-N248 PolarHBondContact O-N 2.9Å
221	R	92.3	Very high	90.3	Very high	74 Å²	74	34.5 Å²	34.5	28%	0.279	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	152.5	-176.3	-55.8	-161.5	170.9	158.5	7.5	112.4	Q194 V195 D196 L197 E219 I223 N248	Q194-R221 HydrophobicContact CG-CG 4.23Å; V195-R221 PolarHBondContact O-N 2.87Å; D196-R221 HydrophobicContact CB-CB 4.42Å; L197-R221 PolarHBondContact N-O 3.35Å; L197-R221 VanDerWaalsContact N-O 3.17Å; E219-R221 VanDerWaalsContact CD-NH2 3.29Å; E219-R221 HydrophobicContact CG-CG 4.23Å; E219-R221 IonicContact OE1-CZ 2.79Å; E219-R221 IonicContact OE1-NE 3.19Å; E219-R221 PolarHBondContact OE1-NE 3.17Å; E219-R221 IonicContact OE1-NH2 2.74Å; E219-R221 PolarHBondContact OE1-NH2 3.35Å; E219-R221 IonicContact OE2-CZ 2.96Å; E219-R221 IonicContact OE2-NE 3.91Å; E219-R221 IonicContact OE2-NH2 2.69Å; E219-R221 PolarHBondContact OE2-NH2 3.3Å; E219-R221 VanDerWaalsContact OE2-NH2 3.08Å; R221-I223 VanDerWaalsContact C-N 3.35Å; R221-I223 PolarHBondContact O-N 3.09Å; R221-N248 CarbonylContact C-O 3.43Å; R221-N248 VanDerWaalsContact CA-O 3.31Å; R221-N248 WeakPolarHBondContact CA-O 3.47Å; R221-N248 HydrophobicContact CG-CB 4.18Å
222	N	89.4	Confident	89.9	Confident	39 Å²	39	36.9 Å²	36.9	21%	0.209	19%	0.191	C	C	.	.	S	Bend	trans	59.8	39.9	168.1	-58.9	-33.2	0	0	0	113.5	D196 G199 N248 N249	D196-N222 PolarHBondContact OD1-ND2 3.44Å; D196-N222 PolarHBondContact OD2-ND2 2.91Å; G199-N222 WeakPolarHBondContact CA-O 3.34Å; G199-N222 PolarHBondContact N-O 3.41Å; N222-N248 PolarHBondContact N-O 2.97Å; N222-N249 VanDerWaalsContact CA-O 3.26Å; N222-N249 WeakPolarHBondContact CA-O 3.44Å; N222-N249 PolarHBondContact N-O 3.01Å; N222-N249 PolarHBondContact OD1-ND2 2.78Å
223	I	85.9	Confident	89.7	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.031	19%	0.193	C	C	.	.			trans	-82.7	122.8	179.2	-43.9	170.1	0	0	0	109.7	L197 I202 V220 R221 G225 Y227 V247 N249 I250 V251	L197-I223 HydrophobicContact CD1-CB 4.3Å; L197-I223 HydrophobicContact CD1-CG1 3.66Å; L197-I223 HydrophobicContact CD1-CG2 4.36Å; I202-I223 HydrophobicContact CD1-CD1 3.96Å; I202-I223 HydrophobicContact CD1-CG1 4.25Å; I202-I223 HydrophobicContact CD1-CG2 3.77Å; I202-I223 HydrophobicContact CG1-CG2 4.07Å; V220-I223 HydrophobicContact CB-CD1 3.86Å; V220-I223 HydrophobicContact CB-CG1 4.37Å; V220-I223 HydrophobicContact CG1-CD1 3.42Å; V220-I223 VanDerWaalsContact CG1-CD1 3.42Å; V220-I223 HydrophobicContact CG1-CG1 3.54Å; R221-I223 VanDerWaalsContact C-N 3.35Å; R221-I223 PolarHBondContact O-N 3.09Å; I223-G225 WeakPolarHBondContact CG2-O 3.3Å; I223-Y227 HydrophobicContact CB-CE1 3.91Å; I223-Y227 HydrophobicContact CD1-CE1 4.24Å; I223-Y227 HydrophobicContact CG2-CD1 4.1Å; I223-Y227 HydrophobicContact CG2-CE1 3.4Å; I223-Y227 PolarHBondContact O-OH 2.95Å; I223-V247 HydrophobicContact CD1-CG1 3.64Å; I223-N249 PolarHBondContact N-O 3.17Å; I223-I250 HydrophobicContact CB-CG2 3.68Å; I223-I250 HydrophobicContact CD1-CG2 3.91Å; I223-I250 HydrophobicContact CG1-CG2 3.84Å; I223-I250 WeakPolarHBondContact O-CA 3.25Å; I223-V251 PolarHBondContact O-N 3.29Å
224	S	84.7	Confident	89.4	Confident	58 Å²	58	36.6 Å²	36.6	41%	0.406	19%	0.187	S	C	.	.			trans	-106.1	-10.2	172.8	67.3	0	0	0	0	114	G199 G200	G199-S224 WeakPolarHBondContact O-CB 3.39Å; G199-S224 PolarHBondContact O-OG 2.69Å; G200-S224 PolarHBondContact O-N 2.83Å; G200-S224 PolarHBondContact O-OG 3.34Å
225	G	84	Confident	89.1	Confident	10 Å²	10	36.5 Å²	36.5	10%	0.103	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	177.3	177.2	179.7	0	0	0	0	0	113	K201 I202 I223	K201-G225 WeakPolarHBondContact CA-O 3.43Å; I202-G225 PolarHBondContact N-O 2.9Å; I223-G225 WeakPolarHBondContact CG2-O 3.3Å
226	G	82.1	Confident	88.6	Confident	21 Å²	21	44.1 Å²	44.1	22%	0.216	23%	0.23	C	C	.	.			trans	88.8	14.9	-176	0	0	0	0	0	114.2	Q228 Y229	G226-Q228 PolarHBondContact O-N 3.45Å; G226-Q228 VanDerWaalsContact O-N 3.12Å; G226-Y229 WeakPolarHBondContact O-CB 3.33Å; G226-Y229 WeakPolarHBondContact O-CD2 3.34Å; G226-Y229 PolarHBondContact O-N 3.1Å
227	Y	85.3	Confident	87.6	Confident	8 Å²	8	45 Å²	45	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-55.7	-29.7	178.3	-56.2	-68.2	0	0	0	113.9	I223 Y229 V230 K231 V251 I252 D256	I223-Y227 HydrophobicContact CB-CE1 3.91Å; I223-Y227 HydrophobicContact CD1-CE1 4.24Å; I223-Y227 HydrophobicContact CG2-CD1 4.1Å; I223-Y227 HydrophobicContact CG2-CE1 3.4Å; I223-Y227 PolarHBondContact O-OH 2.95Å; Y227-Y229 PolarHBondContact O-N 3.2Å; Y227-V230 WeakPolarHBondContact O-CB 3.18Å; Y227-V230 PolarHBondContact O-N 3.08Å; Y227-V230 VanDerWaalsContact O-N 3.15Å; Y227-K231 PolarHBondContact O-N 2.85Å; Y227-V251 WeakPolarHBondContact CE2-O 3.44Å; Y227-V251 VanDerWaalsContact OH-C 3.27Å; Y227-V251 PolarHBondContact OH-N 3.26Å; Y227-V251 PolarHBondContact OH-O 2.65Å; Y227-I252 HydrophobicContact CD1-CD1 3.59Å; Y227-I252 HydrophobicContact CD1-CG1 4.24Å; Y227-I252 HydrophobicContact CD2-CB 4.41Å; Y227-I252 HydrophobicContact CD2-CD1 3.95Å; Y227-I252 HydrophobicContact CD2-CG1 3.72Å; Y227-I252 HydrophobicContact CE1-CB 4.29Å; Y227-I252 HydrophobicContact CE1-CD1 3.74Å; Y227-I252 HydrophobicContact CE1-CG1 4.16Å; Y227-I252 HydrophobicContact CE2-CB 3.81Å; Y227-I252 HydrophobicContact CE2-CD1 4.09Å; Y227-I252 HydrophobicContact CE2-CG1 3.65Å; Y227-I252 HydrophobicContact CG-CD1 3.69Å; Y227-I252 HydrophobicContact CG-CG1 4.03Å; Y227-D256 HydrophobicContact CD2-CB 4.16Å; Y227-D256 HydrophobicContact CG-CB 4.34Å
228	Q	83.9	Confident	86.2	Confident	78 Å²	78	47.8 Å²	47.8	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-60.3	-31.2	175.4	-67.5	-63.4	-30	0	0	112.7	G226 T232 D256 Q259	G226-Q228 PolarHBondContact O-N 3.45Å; G226-Q228 VanDerWaalsContact O-N 3.12Å; Q228-T232 VanDerWaalsContact O-CB 3.26Å; Q228-T232 WeakPolarHBondContact O-CB 3.36Å; Q228-T232 PolarHBondContact O-N 2.7Å; Q228-T232 PolarHBondContact O-OG1 2.74Å; Q228-D256 PolarHBondContact NE2-OD1 2.93Å; Q228-Q259 VanDerWaalsContact NE2-OE1 3.14Å
229	Y	83.8	Confident	85.3	Confident	111 Å²	111	54.1 Å²	54.1	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-69	-42.9	175	-63.9	-75.9	0	0	0	111.5	I202 G226 Y227 T232 Q233	I202-Y229 HydrophobicContact CG2-CD2 4.47Å; I202-Y229 WeakPolarHBondContact O-CD2 3.47Å; I202-Y229 VanDerWaalsContact O-CE2 3.28Å; I202-Y229 WeakPolarHBondContact O-CE2 3.31Å; G226-Y229 WeakPolarHBondContact O-CB 3.33Å; G226-Y229 WeakPolarHBondContact O-CD2 3.34Å; G226-Y229 PolarHBondContact O-N 3.1Å; Y227-Y229 PolarHBondContact O-N 3.2Å; Y229-T232 PolarHBondContact O-N 3.2Å; Y229-Q233 WeakPolarHBondContact O-CG 3.45Å; Y229-Q233 PolarHBondContact O-N 3.44Å
230	V	86.8	Confident	85	Confident	15 Å²	15	54.3 Å²	54.3	9%	0.091	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-52.4	175.8	-170.9	0	0	0	0	110.1	I202 L208 Y227 T232 Q233 L234 L260	I202-V230 HydrophobicContact CD1-CG2 3.43Å; I202-V230 VanDerWaalsContact CD1-CG2 3.43Å; L208-V230 HydrophobicContact CD1-CB 4.33Å; L208-V230 HydrophobicContact CD1-CG2 3.65Å; Y227-V230 WeakPolarHBondContact O-CB 3.18Å; Y227-V230 PolarHBondContact O-N 3.08Å; Y227-V230 VanDerWaalsContact O-N 3.15Å; V230-T232 VanDerWaalsContact C-N 3.28Å; V230-T232 PolarHBondContact O-N 2.83Å; V230-Q233 PolarHBondContact O-N 2.95Å; V230-Q233 VanDerWaalsContact O-N 3.16Å; V230-L234 HydrophobicContact CG1-CD1 4.02Å; V230-L234 HydrophobicContact CG1-CG 4.47Å; V230-L234 WeakPolarHBondContact O-CG 3.41Å; V230-L234 PolarHBondContact O-N 3.16Å; V230-L260 HydrophobicContact CB-CD1 3.89Å; V230-L260 HydrophobicContact CG1-CD1 3.48Å; V230-L260 VanDerWaalsContact CG1-CD1 3.48Å
231	K	87.9	Confident	84.9	Confident	60 Å²	60	56.2 Å²	56.2	26%	0.261	31%	0.305	S	S	.	.	H	α-helix	trans	-54	-45.8	175.9	179.9	-158.6	175.2	-175.4	0	111.7	Y227 Q233 L234 S235 Q259 A263	Y227-K231 PolarHBondContact O-N 2.85Å; K231-Q233 VanDerWaalsContact C-N 3.35Å; K231-Q233 PolarHBondContact O-N 3.38Å; K231-L234 PolarHBondContact O-N 2.95Å; K231-S235 WeakPolarHBondContact O-CB 3.41Å; K231-S235 PolarHBondContact O-N 2.99Å; K231-S235 PolarHBondContact O-OG 2.89Å; K231-Q259 HydrophobicContact CD-CB 4.02Å; K231-A263 HydrophobicContact CG-CB 3.99Å
232	T	87.3	Confident	85.1	Confident	50 Å²	50	52.8 Å²	52.8	31%	0.307	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-42.4	-179.4	-62.3	0	0	0	0	111.4	Q228 Y229 V230 S235 K236	Q228-T232 VanDerWaalsContact O-CB 3.26Å; Q228-T232 WeakPolarHBondContact O-CB 3.36Å; Q228-T232 PolarHBondContact O-N 2.7Å; Q228-T232 PolarHBondContact O-OG1 2.74Å; Y229-T232 PolarHBondContact O-N 3.2Å; V230-T232 VanDerWaalsContact C-N 3.28Å; V230-T232 PolarHBondContact O-N 2.83Å; T232-S235 PolarHBondContact O-N 3.36Å; T232-K236 HydrophobicContact CG2-CD 3.75Å; T232-K236 HydrophobicContact CG2-CG 4.27Å; T232-K236 WeakPolarHBondContact O-CB 3.21Å; T232-K236 WeakPolarHBondContact O-CG 3.41Å; T232-K236 PolarHBondContact O-N 2.97Å
233	Q	88.1	Confident	85.4	Confident	18 Å²	18	59 Å²	59	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-67.8	-43.3	178.4	-72	-60	-29.3	0	0	112.2	A209 L212 Y229 V230 K231 S235 K236 R237	A209-Q233 HydrophobicContact CB-CG 4.41Å; A209-Q233 VanDerWaalsContact CB-OE1 3.29Å; L212-Q233 HydrophobicContact CD1-CB 4.38Å; Y229-Q233 WeakPolarHBondContact O-CG 3.45Å; Y229-Q233 PolarHBondContact O-N 3.44Å; V230-Q233 PolarHBondContact O-N 2.95Å; V230-Q233 VanDerWaalsContact O-N 3.16Å; K231-Q233 VanDerWaalsContact C-N 3.35Å; K231-Q233 PolarHBondContact O-N 3.38Å; Q233-S235 VanDerWaalsContact C-N 3.25Å; Q233-S235 PolarHBondContact O-N 3.33Å; Q233-K236 PolarHBondContact O-N 3.49Å; Q233-R237 PolarHBondContact O-N 2.75Å
234	L	88.6	Confident	86	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-58.7	-38	173.7	-69.4	168.9	0	0	0	112.2	L212 V230 K231 I240 L260 A263 T267 I269	L212-L234 HydrophobicContact CD1-CD2 3.99Å; L212-L234 HydrophobicContact CD1-CG 4.45Å; L212-L234 HydrophobicContact CD2-CD2 4.35Å; V230-L234 HydrophobicContact CG1-CD1 4.02Å; V230-L234 HydrophobicContact CG1-CG 4.47Å; V230-L234 WeakPolarHBondContact O-CG 3.41Å; V230-L234 PolarHBondContact O-N 3.16Å; K231-L234 PolarHBondContact O-N 2.95Å; L234-I240 HydrophobicContact CD2-CD1 4.35Å; L234-L260 HydrophobicContact CD1-CD1 3.71Å; L234-A263 HydrophobicContact CB-CB 4.19Å; L234-A263 HydrophobicContact CD1-CB 4.33Å; L234-T267 HydrophobicContact CB-CG2 4.27Å; L234-T267 HydrophobicContact CD2-CG2 4.17Å; L234-I269 HydrophobicContact CD2-CD1 3.68Å
235	S	86.4	Confident	86.5	Confident	81 Å²	81	57.3 Å²	57.3	57%	0.566	30%	0.3	S	S	*	.	H	α-helix	trans	-80.7	-28.7	-177.1	-52.4	0	0	0	0	113.8	K231 T232 Q233	K231-S235 WeakPolarHBondContact O-CB 3.41Å; K231-S235 PolarHBondContact O-N 2.99Å; K231-S235 PolarHBondContact O-OG 2.89Å; T232-S235 PolarHBondContact O-N 3.36Å; Q233-S235 VanDerWaalsContact C-N 3.25Å; Q233-S235 PolarHBondContact O-N 3.33Å
236	K	85	Confident	87.1	Confident	160 Å²	160	58 Å²	58	70%	0.696	30%	0.303	S	S	*	.	H	α-helix	trans	-89	-27.3	-175	-77.7	-176.7	178.4	176.6	0	113.6	T232 Q233	T232-K236 HydrophobicContact CG2-CD 3.75Å; T232-K236 HydrophobicContact CG2-CG 4.27Å; T232-K236 WeakPolarHBondContact O-CB 3.21Å; T232-K236 WeakPolarHBondContact O-CG 3.41Å; T232-K236 PolarHBondContact O-N 2.97Å; Q233-K236 PolarHBondContact O-N 3.49Å
237	R	75.3	Confident	87.6	Confident	79 Å²	79	57.5 Å²	57.5	30%	0.298	30%	0.296	S	S	.	.			trans	-78.9	129	-171.2	-79.4	-165.7	167.2	-101.8	3.3	112	A209 S213 Q233 I240	A209-R237 PolarHBondContact O-NE 3.28Å; A209-R237 PolarHBondContact O-NH2 3.46Å; A209-R237 VanDerWaalsContact O-NH2 3.16Å; S213-R237 PolarHBondContact OG-NH1 3.03Å; Q233-R237 PolarHBondContact O-N 2.75Å; R237-I240 HydrophobicContact CB-CD1 4.42Å; R237-I240 HydrophobicContact CB-CG1 4.02Å
238	A	67.6	Low	88	Confident	107 Å²	107	58.7 Å²	58.7	88%	0.884	30%	0.303	S	S	*	.	S	Bend	trans	-78.9	-22.3	173.6	0	0	0	0	0	112.9
239	I	78.2	Confident	88.5	Confident	136 Å²	136	59 Å²	59	70%	0.697	31%	0.307	S	S	*	.			trans	-134.6	120.6	-177.4	-54.2	174.4	0	0	0	108.1
240	I	88.9	Confident	88.8	Confident	17 Å²	17	53.9 Å²	53.9	9%	0.087	29%	0.287	C	S	.	.			trans	-126	118.3	174.3	-65.8	170.1	0	0	0	106.1	L234 R237 T267 S268 I269	L234-I240 HydrophobicContact CD2-CD1 4.35Å; R237-I240 HydrophobicContact CB-CD1 4.42Å; R237-I240 HydrophobicContact CB-CG1 4.02Å; I240-T267 HydrophobicContact CD1-CG2 3.61Å; I240-S268 PolarHBondContact O-OG 2.91Å; I240-I269 HydrophobicContact CG2-CD1 4.29Å; I240-I269 HydrophobicContact CG2-CG1 4.01Å
241	S	92.3	Very high	89.1	Confident	47 Å²	47	56.2 Å²	56.2	33%	0.329	30%	0.301	S	S	.	.			trans	-81.5	-25.2	177.3	60.7	0	0	0	0	112.1	L212 S213 F214 F215 R243	L212-S241 PolarHBondContact O-N 2.97Å; L212-S241 PolarHBondContact O-OG 3.31Å; S213-S241 WeakPolarHBondContact CA-OG 3.4Å; S213-S241 WeakPolarHBondContact O-CB 3.47Å; S213-S241 PolarHBondContact O-OG 2.76Å; F214-S241 PolarHBondContact N-OG 2.99Å; F215-S241 PolarHBondContact O-OG 2.95Å; S241-R243 PolarHBondContact O-N 2.89Å
242	T	95.4	Very high	89.3	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	29%	0.289	C	S	.	.			trans	-60.5	129	-176.8	-56.2	0	0	0	0	111.5	L212 F215 V216 V218 T244 I269	L212-T242 VanDerWaalsContact CA-OG1 3.25Å; L212-T242 WeakPolarHBondContact CA-OG1 3.21Å; L212-T242 HydrophobicContact CD2-CG2 4.39Å; L212-T242 PolarHBondContact O-N 2.83Å; L212-T242 PolarHBondContact O-OG1 3.46Å; L212-T242 VanDerWaalsContact O-OG1 3.1Å; F215-T242 VanDerWaalsContact O-CA 3.26Å; F215-T242 WeakPolarHBondContact O-CA 3.48Å; F215-T242 PolarHBondContact O-N 2.99Å; F215-T242 PolarHBondContact O-OG1 3.08Å; V216-T242 CarbonylContact O-C 3.12Å; V216-T242 WeakPolarHBondContact O-CA 3.5Å; V218-T242 HydrophobicContact CB-CG2 4.04Å; V218-T242 HydrophobicContact CG2-CG2 3.72Å; V218-T242 WeakPolarHBondContact CG2-OG1 3.35Å; T242-T244 WeakPolarHBondContact CG2-O 3.12Å; T242-I269 WeakPolarHBondContact O-CG1 3.22Å
243	R	96.4	Very high	89.6	Confident	171 Å²	171	53 Å²	53	65%	0.645	29%	0.285	S	S	*	.	S	Bend	trans	-100.7	-33.2	173.1	-68.3	-171.9	174.7	-170.7	-0.6	112	V216 S241 A270 Q271	V216-R243 HydrophobicContact CG1-CB 4.16Å; V216-R243 HydrophobicContact CG1-CG 4.24Å; V216-R243 PolarHBondContact O-N 2.75Å; S241-R243 PolarHBondContact O-N 2.89Å; R243-A270 PolarHBondContact O-N 3.49Å; R243-Q271 PolarHBondContact O-N 2.77Å
244	T	97.4	Very high	90	Very high	22 Å²	22	52.7 Å²	52.7	14%	0.135	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.3	-177.9	-55	0	0	0	0	110	V216 E217 V218 T242 Q271	V216-T244 PolarHBondContact O-N 2.76Å; E217-T244 WeakPolarHBondContact CA-O 3.44Å; V218-T244 PolarHBondContact N-O 3.25Å; T242-T244 WeakPolarHBondContact CG2-O 3.12Å; T244-Q271 WeakPolarHBondContact CA-O 3.36Å; T244-Q271 HydrophobicContact CG2-CB 4.18Å; T244-Q271 PolarHBondContact OG1-OE1 3Å
245	L	96.1	Very high	90.2	Very high	5 Å²	5	57 Å²	57	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.6	173.8	-180	60.4	0	0	0	109.2	V218 T264 I269 Q271 L272 S273	V218-L245 HydrophobicContact CB-CD1 4.09Å; V218-L245 HydrophobicContact CG1-CD1 4.02Å; V218-L245 WeakPolarHBondContact O-CA 3.42Å; L245-T264 HydrophobicContact CD2-CG2 4.45Å; L245-I269 HydrophobicContact CB-CD1 4.32Å; L245-I269 HydrophobicContact CB-CG2 4.06Å; L245-I269 HydrophobicContact CD2-CD1 4.13Å; L245-Q271 PolarHBondContact N-O 2.9Å; L245-L272 HydrophobicContact CB-CD1 4.13Å; L245-L272 HydrophobicContact CD2-CD1 4.07Å; L245-L272 HydrophobicContact CG-CD1 4.03Å; L245-L272 WeakPolarHBondContact O-CA 3.21Å; L245-S273 PolarHBondContact O-N 2.73Å
246	S	96.1	Very high	90.6	Very high	25 Å²	25	54.9 Å²	54.9	18%	0.175	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.2	-179.9	-63.2	0	0	0	0	110.5	V218 E219 V220 S273	V218-S246 PolarHBondContact O-N 2.69Å; E219-S246 CarbonylContact C-O 3.41Å; E219-S246 VanDerWaalsContact CA-O 3.3Å; E219-S246 WeakPolarHBondContact CA-O 3.31Å; V220-S246 PolarHBondContact N-O 2.97Å; S246-S273 CarbonylContact C-O 3.39Å; S246-S273 WeakPolarHBondContact CA-O 3.26Å; S246-S273 WeakPolarHBondContact CA-OG 3.4Å; S246-S273 WeakPolarHBondContact CB-OG 3.49Å; S246-S273 PolarHBondContact OG-OG 3.41Å
247	V	93.3	Very high	91	Very high	11 Å²	11	47.9 Å²	47.9	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118.7	178.9	-175.3	0	0	0	0	109.2	V220 I223 I250 S273 A274 S275	V220-V247 WeakPolarHBondContact O-CA 3.22Å; I223-V247 HydrophobicContact CD1-CG1 3.64Å; V247-I250 HydrophobicContact CG1-CB 4.23Å; V247-I250 HydrophobicContact CG1-CD1 3.71Å; V247-I250 HydrophobicContact CG1-CG1 4.08Å; V247-I250 HydrophobicContact CG1-CG2 3.29Å; V247-S273 PolarHBondContact N-O 3.4Å; V247-A274 CarbonylContact O-C 3.13Å; V247-A274 WeakPolarHBondContact O-CA 3.43Å; V247-S275 PolarHBondContact O-N 2.8Å
248	N	94	Very high	91.9	Very high	32 Å²	32	44.2 Å²	44.2	17%	0.171	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.6	-169.9	-172.1	6.4	0	0	0	111.9	V220 R221 N222 S275 D276	V220-N248 PolarHBondContact O-N 2.9Å; R221-N248 CarbonylContact C-O 3.43Å; R221-N248 VanDerWaalsContact CA-O 3.31Å; R221-N248 WeakPolarHBondContact CA-O 3.47Å; R221-N248 HydrophobicContact CG-CB 4.18Å; N222-N248 PolarHBondContact N-O 2.97Å; N248-S275 CarbonylContact C-O 3.59Å; N248-S275 WeakPolarHBondContact CA-O 3.47Å; N248-S275 WeakPolarHBondContact CB-OG 3.39Å; N248-S275 PolarHBondContact OD1-O 2.81Å; N248-S275 PolarHBondContact OD1-OG 3.05Å; N248-D276 PolarHBondContact OD1-OD2 2.96Å
249	N	93.3	Very high	93.1	Very high	85 Å²	85	41.2 Å²	41.2	46%	0.455	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52	72	-179.9	-169.7	30.5	0	0	0	111.9	N222 I223 S275 D276	N222-N249 VanDerWaalsContact CA-O 3.26Å; N222-N249 WeakPolarHBondContact CA-O 3.44Å; N222-N249 PolarHBondContact N-O 3.01Å; N222-N249 PolarHBondContact OD1-ND2 2.78Å; I223-N249 PolarHBondContact N-O 3.17Å; N249-S275 PolarHBondContact N-O 2.9Å; N249-D276 CarbonylContact C-O 3.58Å; N249-D276 VanDerWaalsContact CA-O 3.26Å; N249-D276 WeakPolarHBondContact CA-O 3.38Å; N249-D276 HydrophobicContact CB-CB 4.33Å
250	I	91.4	Very high	93.8	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.9	-173.7	58.6	155.1	0	0	0	113.9	I223 V247 I252 D276 V277 A278	I223-I250 HydrophobicContact CB-CG2 3.68Å; I223-I250 HydrophobicContact CD1-CG2 3.91Å; I223-I250 HydrophobicContact CG1-CG2 3.84Å; I223-I250 WeakPolarHBondContact O-CA 3.25Å; V247-I250 HydrophobicContact CG1-CB 4.23Å; V247-I250 HydrophobicContact CG1-CD1 3.71Å; V247-I250 HydrophobicContact CG1-CG1 4.08Å; V247-I250 HydrophobicContact CG1-CG2 3.29Å; I250-I252 HydrophobicContact CD1-CB 4.38Å; I250-I252 HydrophobicContact CD1-CG2 3.98Å; I250-D276 PolarHBondContact N-O 3.2Å; I250-V277 HydrophobicContact CD1-CG1 4.02Å; I250-V277 HydrophobicContact CD1-CG2 4.19Å; I250-V277 HydrophobicContact CG1-CB 4.26Å; I250-V277 HydrophobicContact CG1-CG1 4.03Å; I250-V277 HydrophobicContact CG1-CG2 3.93Å; I250-A278 PolarHBondContact O-N 3.29Å
251	V	92.4	Very high	94.1	Very high	64 Å²	64	34.5 Å²	34.5	39%	0.388	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	103.8	175	-176.7	0	0	0	0	109.2	I223 Y227 A278 N280	I223-V251 PolarHBondContact O-N 3.29Å; Y227-V251 WeakPolarHBondContact CE2-O 3.44Å; Y227-V251 VanDerWaalsContact OH-C 3.27Å; Y227-V251 PolarHBondContact OH-N 3.26Å; Y227-V251 PolarHBondContact OH-O 2.65Å; V251-A278 WeakPolarHBondContact CA-O 3.3Å; V251-A278 HydrophobicContact CG1-CB 4.4Å; V251-A278 HydrophobicContact CG2-CB 4.16Å; V251-N280 WeakPolarHBondContact CG1-ND2 3.17Å
252	I	92.4	Very high	94.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.3	-166.9	-169	164	0	0	0	112.3	Y227 I250 D256 L257 V277 A278 I279 N280	Y227-I252 HydrophobicContact CD1-CD1 3.59Å; Y227-I252 HydrophobicContact CD1-CG1 4.24Å; Y227-I252 HydrophobicContact CD2-CB 4.41Å; Y227-I252 HydrophobicContact CD2-CD1 3.95Å; Y227-I252 HydrophobicContact CD2-CG1 3.72Å; Y227-I252 HydrophobicContact CE1-CB 4.29Å; Y227-I252 HydrophobicContact CE1-CD1 3.74Å; Y227-I252 HydrophobicContact CE1-CG1 4.16Å; Y227-I252 HydrophobicContact CE2-CB 3.81Å; Y227-I252 HydrophobicContact CE2-CD1 4.09Å; Y227-I252 HydrophobicContact CE2-CG1 3.65Å; Y227-I252 HydrophobicContact CG-CD1 3.69Å; Y227-I252 HydrophobicContact CG-CG1 4.03Å; I250-I252 HydrophobicContact CD1-CB 4.38Å; I250-I252 HydrophobicContact CD1-CG2 3.98Å; I252-D256 HydrophobicContact CD1-CB 4.09Å; I252-D256 HydrophobicContact CG1-CB 3.77Å; I252-L257 HydrophobicContact CD1-CB 3.87Å; I252-L257 HydrophobicContact CD1-CD1 4.29Å; I252-L257 HydrophobicContact CG1-CB 4.06Å; I252-L257 HydrophobicContact CG2-CB 4.07Å; I252-L257 HydrophobicContact CG2-CD1 4.28Å; I252-V277 HydrophobicContact CG2-CG1 4.07Å; I252-A278 PolarHBondContact N-O 3.28Å; I252-I279 CarbonylContact O-C 3.53Å; I252-I279 WeakPolarHBondContact O-CA 3.41Å; I252-N280 PolarHBondContact O-N 3.22Å
253	D	94.2	Very high	94	Very high	42 Å²	42	34 Å²	34	23%	0.225	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	144.1	169.3	-80.2	1.8	0	0	0	110	D255 D256 L257 N280 K281	D253-D255 PolarHBondContact O-N 2.66Å; D253-D255 VanDerWaalsContact O-N 3.17Å; D253-D256 PolarHBondContact O-N 3.03Å; D253-L257 PolarHBondContact O-N 3.26Å; D253-N280 CarbonylContact C-O 3.33Å; D253-N280 WeakPolarHBondContact CA-O 3.43Å; D253-N280 WeakPolarHBondContact OD1-CB 3.3Å; D253-K281 WeakPolarHBondContact OD2-CE 3.02Å; D253-K281 IonicContact OD2-NZ 3.08Å; D253-K281 PolarHBondContact OD2-NZ 2.99Å
254	W	94.9	Very high	93.9	Very high	11 Å²	11	25.8 Å²	25.8	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-53.6	-38.9	-179	177.7	-100.3	0	0	0	113.8	L257 T258 I279 N280 K281 P283 T287 L315 F318 F319	W254-L257 HydrophobicContact CE3-CD2 4.07Å; W254-L257 HydrophobicContact CZ3-CD2 4.15Å; W254-L257 PolarHBondContact O-N 3.2Å; W254-T258 HydrophobicContact CD2-CG2 3.86Å; W254-T258 HydrophobicContact CE3-CG2 4.35Å; W254-T258 HydrophobicContact CG-CG2 4.38Å; W254-T258 HydrophobicContact CH2-CG2 4.12Å; W254-T258 HydrophobicContact CZ2-CG2 3.57Å; W254-T258 HydrophobicContact CZ3-CG2 4.47Å; W254-T258 WeakPolarHBondContact O-CG2 3.45Å; W254-T258 PolarHBondContact O-N 2.88Å; W254-T258 PolarHBondContact O-OG1 3.04Å; W254-I279 HydrophobicContact CB-CG2 4.3Å; W254-I279 HydrophobicContact CE3-CG2 3.91Å; W254-I279 HydrophobicContact CZ3-CD1 4.49Å; W254-N280 PolarHBondContact N-O 2.71Å; W254-K281 WeakPolarHBondContact CB-O 3.34Å; W254-P283 HydrophobicContact CD2-CB 4.37Å; W254-P283 HydrophobicContact CD2-CG 4Å; W254-P283 HydrophobicContact CG-CB 4.42Å; W254-P283 HydrophobicContact CG-CG 4.46Å; W254-P283 HydrophobicContact CH2-CG 4.23Å; W254-P283 HydrophobicContact CZ2-CB 4.2Å; W254-P283 HydrophobicContact CZ2-CG 3.66Å; W254-T287 PolarHBondContact NE1-OG1 3.39Å; W254-L315 HydrophobicContact CE3-CD1 3.89Å; W254-L315 HydrophobicContact CH2-CD1 3.8Å; W254-L315 HydrophobicContact CH2-CG 4.14Å; W254-L315 HydrophobicContact CZ3-CD1 3.38Å; W254-L315 HydrophobicContact CZ3-CG 4.13Å; W254-F318 HydrophobicContact CH2-CB 3.82Å; W254-F318 AromaticContact CH2-CD1 3.9Å; W254-F318 HydrophobicContact CH2-CD1 3.9Å; W254-F318 AromaticContact CH2-CG 3.91Å; W254-F318 HydrophobicContact CH2-CG 3.91Å; W254-F318 HydrophobicContact CZ2-CB 3.79Å; W254-F318 HydrophobicContact CZ2-CD1 4.26Å; W254-F318 HydrophobicContact CZ2-CD2 4.32Å; W254-F318 AromaticContact CZ2-CG 3.86Å; W254-F318 HydrophobicContact CZ2-CG 3.86Å; W254-F319 HydrophobicContact CH2-CE2 4Å; W254-F319 HydrophobicContact CH2-CZ 4.29Å; W254-F319 AromaticContact CZ3-CE2 3.97Å; W254-F319 HydrophobicContact CZ3-CE2 3.97Å; W254-F319 HydrophobicContact CZ3-CZ 4.04Å
255	D	93.9	Very high	93.7	Very high	97 Å²	97	24.9 Å²	24.9	52%	0.519	14%	0.136	S	C	.	.	H	α-helix	trans	-64.1	-43.8	177.9	-174.2	51.9	0	0	0	111.6	D253 T258 Q259	D253-D255 PolarHBondContact O-N 2.66Å; D253-D255 VanDerWaalsContact O-N 3.17Å; D255-T258 PolarHBondContact O-OG1 2.92Å; D255-Q259 VanDerWaalsContact O-CB 3.3Å; D255-Q259 WeakPolarHBondContact O-CB 3.21Å; D255-Q259 WeakPolarHBondContact O-CG 3.44Å; D255-Q259 PolarHBondContact O-N 2.68Å; D255-Q259 PolarHBondContact OD1-NE2 3.29Å; D255-Q259 PolarHBondContact OD2-NE2 3.4Å
256	D	93.4	Very high	93.5	Very high	35 Å²	35	32.4 Å²	32.4	19%	0.187	17%	0.166	C	C	.	.	H	α-helix	trans	-65.6	-41.9	176.1	-72.6	-41.1	0	0	0	111.6	Y227 Q228 I252 D253 Q259 L260	Y227-D256 HydrophobicContact CD2-CB 4.16Å; Y227-D256 HydrophobicContact CG-CB 4.34Å; Q228-D256 PolarHBondContact NE2-OD1 2.93Å; I252-D256 HydrophobicContact CD1-CB 4.09Å; I252-D256 HydrophobicContact CG1-CB 3.77Å; D253-D256 PolarHBondContact O-N 3.03Å; D256-Q259 PolarHBondContact O-N 3.23Å; D256-L260 VanDerWaalsContact O-CB 3.31Å; D256-L260 WeakPolarHBondContact O-CB 3.42Å; D256-L260 PolarHBondContact O-N 3.48Å
257	L	94.3	Very high	93.3	Very high	13 Å²	13	32 Å²	32	7%	0.068	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-51.3	178.1	176.3	66	0	0	0	111.4	I252 D253 W254 Q259 L260 I261 I279	I252-L257 HydrophobicContact CD1-CB 3.87Å; I252-L257 HydrophobicContact CD1-CD1 4.29Å; I252-L257 HydrophobicContact CG1-CB 4.06Å; I252-L257 HydrophobicContact CG2-CB 4.07Å; I252-L257 HydrophobicContact CG2-CD1 4.28Å; D253-L257 PolarHBondContact O-N 3.26Å; W254-L257 HydrophobicContact CE3-CD2 4.07Å; W254-L257 HydrophobicContact CZ3-CD2 4.15Å; W254-L257 PolarHBondContact O-N 3.2Å; L257-Q259 VanDerWaalsContact C-N 3.33Å; L257-Q259 PolarHBondContact O-N 2.81Å; L257-L260 PolarHBondContact O-N 2.7Å; L257-I261 HydrophobicContact CD1-CD1 3.9Å; L257-I261 HydrophobicContact CD1-CG1 4.4Å; L257-I261 HydrophobicContact CG-CD1 3.99Å; L257-I261 WeakPolarHBondContact O-CG1 3.45Å; L257-I261 PolarHBondContact O-N 2.83Å; L257-I279 HydrophobicContact CD2-CD1 3.87Å; L257-I279 HydrophobicContact CD2-CG1 4.16Å
258	T	94.6	Very high	93.3	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-69.6	-33.5	-177.1	55.5	0	0	0	0	111.9	W254 D255 N262 T287 F318	W254-T258 HydrophobicContact CD2-CG2 3.86Å; W254-T258 HydrophobicContact CE3-CG2 4.35Å; W254-T258 HydrophobicContact CG-CG2 4.38Å; W254-T258 HydrophobicContact CH2-CG2 4.12Å; W254-T258 HydrophobicContact CZ2-CG2 3.57Å; W254-T258 HydrophobicContact CZ3-CG2 4.47Å; W254-T258 WeakPolarHBondContact O-CG2 3.45Å; W254-T258 PolarHBondContact O-N 2.88Å; W254-T258 PolarHBondContact O-OG1 3.04Å; D255-T258 PolarHBondContact O-OG1 2.92Å; T258-N262 VanDerWaalsContact O-CB 3.26Å; T258-N262 WeakPolarHBondContact O-CB 3.49Å; T258-N262 PolarHBondContact O-N 2.94Å; T258-N262 PolarHBondContact O-ND2 3.31Å; T258-T287 HydrophobicContact CG2-CG2 3.92Å; T258-F318 HydrophobicContact CG2-CD1 4.28Å; T258-F318 HydrophobicContact CG2-CD2 3.88Å; T258-F318 HydrophobicContact CG2-CE1 3.97Å; T258-F318 HydrophobicContact CG2-CE2 3.5Å; T258-F318 VanDerWaalsContact CG2-CE2 3.5Å; T258-F318 HydrophobicContact CG2-CG 4.25Å; T258-F318 HydrophobicContact CG2-CZ 3.57Å
259	Q	92.8	Very high	93.4	Very high	43 Å²	43	33.1 Å²	33.1	20%	0.201	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-38.9	171.4	-73	175	33.4	0	0	112.6	Q228 K231 D255 D256 L257 A263	Q228-Q259 VanDerWaalsContact NE2-OE1 3.14Å; K231-Q259 HydrophobicContact CD-CB 4.02Å; D255-Q259 VanDerWaalsContact O-CB 3.3Å; D255-Q259 WeakPolarHBondContact O-CB 3.21Å; D255-Q259 WeakPolarHBondContact O-CG 3.44Å; D255-Q259 PolarHBondContact O-N 2.68Å; D255-Q259 PolarHBondContact OD1-NE2 3.29Å; D255-Q259 PolarHBondContact OD2-NE2 3.4Å; D256-Q259 PolarHBondContact O-N 3.23Å; L257-Q259 VanDerWaalsContact C-N 3.33Å; L257-Q259 PolarHBondContact O-N 2.81Å; Q259-A263 VanDerWaalsContact O-CB 3.29Å; Q259-A263 WeakPolarHBondContact O-CB 3.35Å; Q259-A263 PolarHBondContact O-N 3.09Å
260	L	92.6	Very high	93.5	Very high	10 Å²	10	30 Å²	30	5%	0.052	16%	0.159	C	C	.	.	H	α-helix	trans	-65.3	-48.1	176.5	179.5	67.8	0	0	0	111.3	V230 L234 D256 L257 A263 T264	V230-L260 HydrophobicContact CB-CD1 3.89Å; V230-L260 HydrophobicContact CG1-CD1 3.48Å; V230-L260 VanDerWaalsContact CG1-CD1 3.48Å; L234-L260 HydrophobicContact CD1-CD1 3.71Å; D256-L260 VanDerWaalsContact O-CB 3.31Å; D256-L260 WeakPolarHBondContact O-CB 3.42Å; D256-L260 PolarHBondContact O-N 3.48Å; L257-L260 PolarHBondContact O-N 2.7Å; L260-A263 PolarHBondContact O-N 3.48Å; L260-T264 PolarHBondContact O-N 2.86Å; L260-T264 PolarHBondContact O-OG1 3.4Å
261	I	94.9	Very high	93.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-50	177.1	-68.3	170.1	0	0	0	109.6	L257 A263 T264 L265 L272 F298 F318 F319 L322	L257-I261 HydrophobicContact CD1-CD1 3.9Å; L257-I261 HydrophobicContact CD1-CG1 4.4Å; L257-I261 HydrophobicContact CG-CD1 3.99Å; L257-I261 WeakPolarHBondContact O-CG1 3.45Å; L257-I261 PolarHBondContact O-N 2.83Å; I261-A263 VanDerWaalsContact C-N 3.34Å; I261-A263 PolarHBondContact O-N 2.89Å; I261-T264 WeakPolarHBondContact O-CB 3.4Å; I261-T264 PolarHBondContact O-N 3.05Å; I261-T264 VanDerWaalsContact O-N 3.09Å; I261-L265 HydrophobicContact CG2-CD1 4.15Å; I261-L265 HydrophobicContact CG2-CG 4.37Å; I261-L265 WeakPolarHBondContact O-CG 3.43Å; I261-L265 PolarHBondContact O-N 2.74Å; I261-L272 HydrophobicContact CG1-CD2 4.03Å; I261-F298 HydrophobicContact CD1-CE2 3.95Å; I261-F298 HydrophobicContact CD1-CZ 4.19Å; I261-F298 HydrophobicContact CG1-CE2 4.31Å; I261-F318 HydrophobicContact CB-CE1 4.48Å; I261-F318 HydrophobicContact CB-CZ 4.16Å; I261-F318 HydrophobicContact CD1-CE1 3.72Å; I261-F318 HydrophobicContact CD1-CZ 4.21Å; I261-F318 HydrophobicContact CG2-CE1 4.25Å; I261-F318 HydrophobicContact CG2-CZ 4.02Å; I261-F319 HydrophobicContact CD1-CE1 4.45Å; I261-L322 HydrophobicContact CG2-CD2 3.85Å
262	N	93.8	Very high	94	Very high	28 Å²	28	31.5 Å²	31.5	15%	0.15	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-42.2	177.4	-85.4	-34.6	0	0	0	112.7	T258 T264 L265 Y266 P288 L289 A290	T258-N262 VanDerWaalsContact O-CB 3.26Å; T258-N262 WeakPolarHBondContact O-CB 3.49Å; T258-N262 PolarHBondContact O-N 2.94Å; T258-N262 PolarHBondContact O-ND2 3.31Å; N262-T264 VanDerWaalsContact C-N 3.31Å; N262-T264 PolarHBondContact O-N 3.17Å; N262-L265 PolarHBondContact O-N 2.95Å; N262-Y266 WeakPolarHBondContact O-CD2 3.41Å; N262-P288 PolarHBondContact ND2-O 2.71Å; N262-L289 WeakPolarHBondContact OD1-CA 3.37Å; N262-L289 WeakPolarHBondContact OD1-CD1 3.47Å; N262-A290 PolarHBondContact OD1-N 3.46Å
263	A	92.8	Very high	94.3	Very high	9 Å²	9	33 Å²	33	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-43.1	175.6	0	0	0	0	0	111.1	K231 L234 Q259 L260 I261 L265 Y266 T267	K231-A263 HydrophobicContact CG-CB 3.99Å; L234-A263 HydrophobicContact CB-CB 4.19Å; L234-A263 HydrophobicContact CD1-CB 4.33Å; Q259-A263 VanDerWaalsContact O-CB 3.29Å; Q259-A263 WeakPolarHBondContact O-CB 3.35Å; Q259-A263 PolarHBondContact O-N 3.09Å; L260-A263 PolarHBondContact O-N 3.48Å; I261-A263 VanDerWaalsContact C-N 3.34Å; I261-A263 PolarHBondContact O-N 2.89Å; A263-L265 PolarHBondContact O-N 3.37Å; A263-Y266 PolarHBondContact O-N 2.81Å; A263-T267 WeakPolarHBondContact O-CG2 3.23Å
264	T	93.9	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-38.8	178.8	-47.3	0	0	0	0	111.7	L245 L260 I261 N262 Y266 T267 I269 L272 M295	L245-T264 HydrophobicContact CD2-CG2 4.45Å; L260-T264 PolarHBondContact O-N 2.86Å; L260-T264 PolarHBondContact O-OG1 3.4Å; I261-T264 WeakPolarHBondContact O-CB 3.4Å; I261-T264 PolarHBondContact O-N 3.05Å; I261-T264 VanDerWaalsContact O-N 3.09Å; N262-T264 VanDerWaalsContact C-N 3.31Å; N262-T264 PolarHBondContact O-N 3.17Å; T264-Y266 PolarHBondContact O-N 3.24Å; T264-T267 WeakPolarHBondContact O-CB 3.47Å; T264-T267 PolarHBondContact O-N 3.48Å; T264-T267 PolarHBondContact O-OG1 3.45Å; T264-I269 HydrophobicContact CG2-CB 4.03Å; T264-I269 HydrophobicContact CG2-CD1 3.9Å; T264-I269 HydrophobicContact CG2-CG2 4.04Å; T264-L272 HydrophobicContact CG2-CD2 4.25Å; T264-M295 HydrophobicContact CG2-CE 3.35Å
265	L	93.3	Very high	94.4	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-25.7	178.7	-69.8	172	0	0	0	113.5	I261 N262 A263 T267 L289 A290 S293 M295 L322 P323 V324	I261-L265 HydrophobicContact CG2-CD1 4.15Å; I261-L265 HydrophobicContact CG2-CG 4.37Å; I261-L265 WeakPolarHBondContact O-CG 3.43Å; I261-L265 PolarHBondContact O-N 2.74Å; N262-L265 PolarHBondContact O-N 2.95Å; A263-L265 PolarHBondContact O-N 3.37Å; L265-T267 VanDerWaalsContact C-N 3.34Å; L265-L289 HydrophobicContact CD1-CD1 3.96Å; L265-L289 HydrophobicContact CD1-CG 4.46Å; L265-A290 HydrophobicContact CB-CB 4.06Å; L265-A290 HydrophobicContact CD1-CB 3.97Å; L265-S293 WeakPolarHBondContact CA-OG 3.35Å; L265-S293 WeakPolarHBondContact CD2-OG 3.2Å; L265-S293 WeakPolarHBondContact O-CB 3.43Å; L265-S293 PolarHBondContact O-OG 2.97Å; L265-M295 HydrophobicContact CD2-CB 4.09Å; L265-M295 HydrophobicContact CD2-CE 4Å; L265-M295 HydrophobicContact CD2-SD 3.81Å; L265-L322 HydrophobicContact CD1-CD2 4.1Å; L265-P323 HydrophobicContact CD1-CG 4.25Å; L265-P323 HydrophobicContact CD2-CG 4.22Å; L265-V324 HydrophobicContact CD2-CG1 4.39Å
266	Y	91.4	Very high	94.5	Very high	164 Å²	164	30.3 Å²	30.3	64%	0.643	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	0.7	175.6	-67.5	-63.5	0	0	0	114.2	N262 A263 T264 A290	N262-Y266 WeakPolarHBondContact O-CD2 3.41Å; A263-Y266 PolarHBondContact O-N 2.81Å; T264-Y266 PolarHBondContact O-N 3.24Å; Y266-A290 HydrophobicContact CE1-CB 4.08Å; Y266-A290 HydrophobicContact CE2-CB 4.03Å
267	T	92.7	Very high	94.5	Very high	16 Å²	16	29 Å²	29	10%	0.098	16%	0.156	C	C	.	.	S	Bend	trans	-100.1	178.6	178.9	71.7	0	0	0	0	112.2	L234 I240 A263 T264 L265 I269 S294	L234-T267 HydrophobicContact CB-CG2 4.27Å; L234-T267 HydrophobicContact CD2-CG2 4.17Å; I240-T267 HydrophobicContact CD1-CG2 3.61Å; A263-T267 WeakPolarHBondContact O-CG2 3.23Å; T264-T267 WeakPolarHBondContact O-CB 3.47Å; T264-T267 PolarHBondContact O-N 3.48Å; T264-T267 PolarHBondContact O-OG1 3.45Å; L265-T267 VanDerWaalsContact C-N 3.34Å; T267-I269 VanDerWaalsContact C-N 3.28Å; T267-I269 WeakPolarHBondContact OG1-CB 3.26Å; T267-I269 WeakPolarHBondContact OG1-CG1 3.46Å; T267-I269 PolarHBondContact OG1-N 3.01Å; T267-S294 PolarHBondContact O-OG 2.89Å
268	S	92.8	Very high	94.5	Very high	67 Å²	67	29.5 Å²	29.5	47%	0.469	16%	0.162	S	C	.	.	S	Bend	trans	-82.5	3.9	172.2	51.1	0	0	0	0	114.3	I240 A270	I240-S268 PolarHBondContact O-OG 2.91Å; S268-A270 PolarHBondContact O-N 3.1Å
269	I	95.3	Very high	94.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.			trans	-67.5	120.9	179.4	-65.5	168.3	0	0	0	108.6	L212 L234 I240 T242 L245 T264 T267 Q271	L212-I269 HydrophobicContact CD2-CD1 4.48Å; L234-I269 HydrophobicContact CD2-CD1 3.68Å; I240-I269 HydrophobicContact CG2-CD1 4.29Å; I240-I269 HydrophobicContact CG2-CG1 4.01Å; T242-I269 WeakPolarHBondContact O-CG1 3.22Å; L245-I269 HydrophobicContact CB-CD1 4.32Å; L245-I269 HydrophobicContact CB-CG2 4.06Å; L245-I269 HydrophobicContact CD2-CD1 4.13Å; T264-I269 HydrophobicContact CG2-CB 4.03Å; T264-I269 HydrophobicContact CG2-CD1 3.9Å; T264-I269 HydrophobicContact CG2-CG2 4.04Å; T267-I269 VanDerWaalsContact C-N 3.28Å; T267-I269 WeakPolarHBondContact OG1-CB 3.26Å; T267-I269 WeakPolarHBondContact OG1-CG1 3.46Å; T267-I269 PolarHBondContact OG1-N 3.01Å; I269-Q271 WeakPolarHBondContact CG2-O 3.29Å
270	A	96.6	Very high	94.6	Very high	20 Å²	20	29.7 Å²	29.7	17%	0.165	16%	0.164	C	C	.	.			trans	-83.2	-32	-175.8	0	0	0	0	0	112.6	R243 S268 M295 Q296 S297	R243-A270 PolarHBondContact O-N 3.49Å; S268-A270 PolarHBondContact O-N 3.1Å; A270-M295 WeakPolarHBondContact O-CG 3.28Å; A270-Q296 PolarHBondContact O-N 2.78Å; A270-S297 PolarHBondContact O-N 2.94Å; A270-S297 VanDerWaalsContact O-N 3.07Å
271	Q	97.6	Very high	94.6	Very high	89 Å²	89	36.4 Å²	36.4	42%	0.416	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.4	-175.2	-59.8	-174.3	-15.1	0	0	111	R243 T244 L245 I269 S297	R243-Q271 PolarHBondContact O-N 2.77Å; T244-Q271 WeakPolarHBondContact CA-O 3.36Å; T244-Q271 HydrophobicContact CG2-CB 4.18Å; T244-Q271 PolarHBondContact OG1-OE1 3Å; L245-Q271 PolarHBondContact N-O 2.9Å; I269-Q271 WeakPolarHBondContact CG2-O 3.29Å; Q271-S297 WeakPolarHBondContact CA-O 3.47Å
272	L	97.1	Very high	94.6	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.047	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.2	171.8	178.2	61.5	0	0	0	109.4	L245 I261 T264 M295 S297 F298 T299	L245-L272 HydrophobicContact CB-CD1 4.13Å; L245-L272 HydrophobicContact CD2-CD1 4.07Å; L245-L272 HydrophobicContact CG-CD1 4.03Å; L245-L272 WeakPolarHBondContact O-CA 3.21Å; I261-L272 HydrophobicContact CG1-CD2 4.03Å; T264-L272 HydrophobicContact CG2-CD2 4.25Å; L272-M295 HydrophobicContact CB-CE 3.68Å; L272-M295 HydrophobicContact CB-SD 3.83Å; L272-M295 HydrophobicContact CD2-CE 4.1Å; L272-S297 PolarHBondContact N-O 2.93Å; L272-F298 HydrophobicContact CB-CD2 4.26Å; L272-F298 HydrophobicContact CD2-CD2 3.97Å; L272-F298 HydrophobicContact CD2-CE2 4.02Å; L272-F298 HydrophobicContact CG-CD2 4.12Å; L272-F298 HydrophobicContact CG-CE2 4.28Å; L272-F298 CarbonylContact O-C 3.52Å; L272-F298 WeakPolarHBondContact O-CA 3.39Å; L272-T299 PolarHBondContact O-N 3.22Å
273	S	97.1	Very high	94.7	Very high	34 Å²	34	35.7 Å²	35.7	24%	0.238	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.4	176.8	55.4	0	0	0	0	112	L245 S246 V247 T299	L245-S273 PolarHBondContact O-N 2.73Å; S246-S273 CarbonylContact C-O 3.39Å; S246-S273 WeakPolarHBondContact CA-O 3.26Å; S246-S273 WeakPolarHBondContact CA-OG 3.4Å; S246-S273 WeakPolarHBondContact CB-OG 3.49Å; S246-S273 PolarHBondContact OG-OG 3.41Å; V247-S273 PolarHBondContact N-O 3.4Å; S273-T299 CarbonylContact C-O 3.13Å; S273-T299 VanDerWaalsContact CA-O 3.22Å; S273-T299 WeakPolarHBondContact CA-O 3.22Å
274	A	95.7	Very high	94.8	Very high	16 Å²	16	42.2 Å²	42.2	13%	0.132	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.9	174.1	0	0	0	0	0	110.9	V247 V277 T299 A300 S301	V247-A274 CarbonylContact O-C 3.13Å; V247-A274 WeakPolarHBondContact O-CA 3.43Å; A274-V277 HydrophobicContact CB-CG2 3.72Å; A274-T299 PolarHBondContact N-O 2.92Å; A274-A300 CarbonylContact O-C 3.58Å; A274-A300 VanDerWaalsContact O-CA 3.26Å; A274-A300 WeakPolarHBondContact O-CA 3.44Å; A274-S301 PolarHBondContact O-N 2.84Å
275	S	96.4	Very high	94.8	Very high	21 Å²	21	50.2 Å²	50.2	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.5	176.1	58.7	0	0	0	0	111.2	V247 N248 N249 S301	V247-S275 PolarHBondContact O-N 2.8Å; N248-S275 CarbonylContact C-O 3.59Å; N248-S275 WeakPolarHBondContact CA-O 3.47Å; N248-S275 WeakPolarHBondContact CB-OG 3.39Å; N248-S275 PolarHBondContact OD1-O 2.81Å; N248-S275 PolarHBondContact OD1-OG 3.05Å; N249-S275 PolarHBondContact N-O 2.9Å; S275-S301 WeakPolarHBondContact CA-O 3.29Å; S275-S301 WeakPolarHBondContact CA-OG 3.36Å; S275-S301 VanDerWaalsContact CB-OG 3.23Å; S275-S301 WeakPolarHBondContact CB-OG 3.31Å
276	D	95.8	Very high	94.8	Very high	55 Å²	55	53.5 Å²	53.5	29%	0.294	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.8	58.2	177	-57.1	-70.9	0	0	0	111.1	N248 N249 I250 S301 R302	N248-D276 PolarHBondContact OD1-OD2 2.96Å; N249-D276 CarbonylContact C-O 3.58Å; N249-D276 VanDerWaalsContact CA-O 3.26Å; N249-D276 WeakPolarHBondContact CA-O 3.38Å; N249-D276 HydrophobicContact CB-CB 4.33Å; I250-D276 PolarHBondContact N-O 3.2Å; D276-S301 PolarHBondContact N-O 3.38Å; D276-R302 IonicContact OD1-CZ 3.01Å; D276-R302 IonicContact OD1-NE 3.42Å; D276-R302 PolarHBondContact OD1-NE 2.96Å; D276-R302 IonicContact OD1-NH2 3.19Å; D276-R302 IonicContact OD2-CZ 3.71Å; D276-R302 IonicContact OD2-NE 3.54Å; D276-R302 PolarHBondContact OD2-NE 3.27Å; D276-R302 IonicContact OD2-NH2 2.89Å; D276-R302 PolarHBondContact OD2-NH2 2.94Å
277	V	93.8	Very high	95	Very high	8 Å²	8	47.3 Å²	47.3	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.6	-171.5	-176	0	0	0	0	111	I250 I252 A274 I279 R302 A303 A304	I250-V277 HydrophobicContact CD1-CG1 4.02Å; I250-V277 HydrophobicContact CD1-CG2 4.19Å; I250-V277 HydrophobicContact CG1-CB 4.26Å; I250-V277 HydrophobicContact CG1-CG1 4.03Å; I250-V277 HydrophobicContact CG1-CG2 3.93Å; I252-V277 HydrophobicContact CG2-CG1 4.07Å; A274-V277 HydrophobicContact CB-CG2 3.72Å; V277-I279 HydrophobicContact CG1-CG1 3.85Å; V277-R302 PolarHBondContact N-O 2.89Å; V277-A303 HydrophobicContact CB-CB 4.13Å; V277-A303 CarbonylContact O-C 3.58Å; V277-A303 VanDerWaalsContact O-CA 3.3Å; V277-A303 WeakPolarHBondContact O-CA 3.31Å; V277-A304 PolarHBondContact O-N 2.91Å
278	A	94.5	Very high	94.9	Very high	24 Å²	24	51.6 Å²	51.6	20%	0.198	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.9	167.6	0	0	0	0	0	110.5	I250 V251 I252 A304 T306	I250-A278 PolarHBondContact O-N 3.29Å; V251-A278 WeakPolarHBondContact CA-O 3.3Å; V251-A278 HydrophobicContact CG1-CB 4.4Å; V251-A278 HydrophobicContact CG2-CB 4.16Å; I252-A278 PolarHBondContact N-O 3.28Å; A278-A304 CarbonylContact C-O 3.44Å; A278-A304 WeakPolarHBondContact CA-O 3.13Å; A278-T306 HydrophobicContact CB-CG2 4.27Å
279	I	94.3	Very high	95	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.8	-179	-55.7	177.9	0	0	0	109.8	I252 W254 L257 V277 A304 V305 T306	I252-I279 CarbonylContact O-C 3.53Å; I252-I279 WeakPolarHBondContact O-CA 3.41Å; W254-I279 HydrophobicContact CB-CG2 4.3Å; W254-I279 HydrophobicContact CE3-CG2 3.91Å; W254-I279 HydrophobicContact CZ3-CD1 4.49Å; L257-I279 HydrophobicContact CD2-CD1 3.87Å; L257-I279 HydrophobicContact CD2-CG1 4.16Å; V277-I279 HydrophobicContact CG1-CG1 3.85Å; I279-A304 PolarHBondContact N-O 2.81Å; I279-V305 HydrophobicContact CB-CG1 4.28Å; I279-V305 WeakPolarHBondContact O-CA 3.49Å; I279-T306 PolarHBondContact O-N 2.8Å; I279-T306 PolarHBondContact O-OG1 3.49Å
280	N	94.3	Very high	94.7	Very high	41 Å²	41	50.7 Å²	50.7	22%	0.219	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	151.2	172.4	-69.4	-27.4	0	0	0	111.4	V251 I252 D253 W254 T306	V251-N280 WeakPolarHBondContact CG1-ND2 3.17Å; I252-N280 PolarHBondContact O-N 3.22Å; D253-N280 CarbonylContact C-O 3.33Å; D253-N280 WeakPolarHBondContact CA-O 3.43Å; D253-N280 WeakPolarHBondContact OD1-CB 3.3Å; W254-N280 PolarHBondContact N-O 2.71Å; N280-T306 WeakPolarHBondContact CA-OG1 3.44Å; N280-T306 WeakPolarHBondContact OD1-CB 3.43Å; N280-T306 WeakPolarHBondContact OD1-CG2 3.26Å; N280-T306 PolarHBondContact OD1-OG1 3.07Å
281	K	93.8	Very high	94.2	Very high	151 Å²	151	57.4 Å²	57.4	66%	0.657	30%	0.301	S	S	*	.	S	Bend	trans	47.5	55.4	177.6	-56.3	173.7	-169.2	153.9	0	113.6	D253 W254	D253-K281 WeakPolarHBondContact OD2-CE 3.02Å; D253-K281 IonicContact OD2-NZ 3.08Å; D253-K281 PolarHBondContact OD2-NZ 2.99Å; W254-K281 WeakPolarHBondContact CB-O 3.34Å
282	P	94.7	Very high	93.7	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.058	31%	0.313	C	S	.	.			trans	-54.9	160.5	179.1	20.1	-30.6	0	0	0	113.6	V305 F310 L315	P282-V305 HydrophobicContact CB-CG1 4.2Å; P282-V305 HydrophobicContact CG-CB 4.34Å; P282-V305 HydrophobicContact CG-CG1 4.37Å; P282-F310 HydrophobicContact CB-CB 3.63Å; P282-F310 HydrophobicContact CB-CD1 4.09Å; P282-F310 HydrophobicContact CB-CD2 3.96Å; P282-F310 HydrophobicContact CB-CG 3.64Å; P282-F310 HydrophobicContact CG-CB 3.66Å; P282-F310 HydrophobicContact CG-CD1 3.67Å; P282-F310 HydrophobicContact CG-CD2 4.45Å; P282-F310 HydrophobicContact CG-CE1 4.45Å; P282-F310 HydrophobicContact CG-CG 3.68Å; P282-L315 HydrophobicContact CB-CD1 4.41Å
283	P	95.4	Very high	93.4	Very high	7 Å²	7	59.6 Å²	59.6	5%	0.045	32%	0.322	C	S	.	.			trans	-69.8	143	-166.2	25.9	-31.8	0	0	0	113	W254 F310 S311 A314 L315	W254-P283 HydrophobicContact CD2-CB 4.37Å; W254-P283 HydrophobicContact CD2-CG 4Å; W254-P283 HydrophobicContact CG-CB 4.42Å; W254-P283 HydrophobicContact CG-CG 4.46Å; W254-P283 HydrophobicContact CH2-CG 4.23Å; W254-P283 HydrophobicContact CZ2-CB 4.2Å; W254-P283 HydrophobicContact CZ2-CG 3.66Å; P283-F310 WeakPolarHBondContact O-CB 3.35Å; P283-S311 PolarHBondContact O-N 3.01Å; P283-A314 HydrophobicContact CB-CB 4.07Å; P283-A314 HydrophobicContact CG-CB 4.13Å; P283-L315 HydrophobicContact CG-CB 3.93Å; P283-L315 HydrophobicContact CG-CD1 4.07Å
284	I	93.9	Very high	93	Very high	146 Å²	146	61.3 Å²	61.3	75%	0.749	33%	0.334	S	S	*	.	S	Bend	trans	-94.3	-24.1	168.9	-62	168.4	0	0	0	111.1	S311	I284-S311 VanDerWaalsContact O-CB 3.29Å; I284-S311 WeakPolarHBondContact O-CB 3.26Å
285	K	94.6	Very high	93	Very high	167 Å²	167	60.8 Å²	60.8	73%	0.726	33%	0.329	S	S	*	.	S	Bend	trans	-139.5	161.2	-178.3	63.5	-178.4	-178.3	179.8	0	110.1	T287 A314	K285-T287 PolarHBondContact O-N 3.17Å; K285-A314 WeakPolarHBondContact O-CB 3.43Å
286	D	93.8	Very high	93	Very high	72 Å²	72	64.7 Å²	64.7	39%	0.385	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-52.3	138.6	176.2	-69.3	-29.5	0	0	0	111.4	A314 N317 K341	D286-A314 WeakPolarHBondContact OD1-CA 3.33Å; D286-N317 PolarHBondContact OD1-ND2 2.95Å; D286-K341 IonicContact OD2-NZ 3.49Å; D286-K341 PolarHBondContact OD2-NZ 2.99Å
287	T	94.4	Very high	93.1	Very high	33 Å²	33	63 Å²	63	20%	0.202	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-102.7	136.2	179.4	-54	0	0	0	0	109.4	W254 T258 K285 F318	W254-T287 PolarHBondContact NE1-OG1 3.39Å; T258-T287 HydrophobicContact CG2-CG2 3.92Å; K285-T287 PolarHBondContact O-N 3.17Å; T287-F318 HydrophobicContact CG2-CD2 4.38Å; T287-F318 HydrophobicContact CG2-CE2 4.44Å
288	P	92.3	Very high	93.3	Very high	106 Å²	106	63 Å²	63	69%	0.688	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-64.6	145.9	179.4	27.1	-35.1	0	0	0	111.5	N262	N262-P288 PolarHBondContact ND2-O 2.71Å
289	L	93.1	Very high	93.4	Very high	43 Å²	43	64.1 Å²	64.1	23%	0.225	34%	0.341	C	S	.	.			trans	-132.3	148.2	-176.7	-167.2	70	0	0	0	110.1	N262 L265 F318 N321 L322	N262-L289 WeakPolarHBondContact OD1-CA 3.37Å; N262-L289 WeakPolarHBondContact OD1-CD1 3.47Å; L265-L289 HydrophobicContact CD1-CD1 3.96Å; L265-L289 HydrophobicContact CD1-CG 4.46Å; L289-F318 HydrophobicContact CD1-CD2 4.04Å; L289-F318 HydrophobicContact CD1-CE1 4.45Å; L289-F318 HydrophobicContact CD1-CE2 3.42Å; L289-F318 VanDerWaalsContact CD1-CE2 3.42Å; L289-F318 HydrophobicContact CD1-CZ 3.65Å; L289-N321 VanDerWaalsContact CD2-C 3.46Å; L289-N321 HydrophobicContact CD2-CB 4.24Å; L289-N321 WeakPolarHBondContact CD2-O 3.47Å; L289-L322 HydrophobicContact CD1-CD2 3.75Å; L289-L322 HydrophobicContact CD2-CD2 4.21Å
290	A	88.9	Confident	93.5	Very high	6 Å²	6	64 Å²	64	5%	0.05	34%	0.342	C	S	.	.			trans	-57.9	139.2	172.5	0	0	0	0	0	111.1	N262 L265 Y266	N262-A290 PolarHBondContact OD1-N 3.46Å; L265-A290 HydrophobicContact CB-CB 4.06Å; L265-A290 HydrophobicContact CD1-CB 3.97Å; Y266-A290 HydrophobicContact CE1-CB 4.08Å; Y266-A290 HydrophobicContact CE2-CB 4.03Å
291	E	86	Confident	93.6	Very high	160 Å²	160	62.9 Å²	62.9	75%	0.748	34%	0.337	S	S	*	.	S	Bend	trans	-79.6	-26.4	-177.2	-62.7	-162.1	142.1	0	0	113.2	K342	E291-K342 IonicContact OE1-NZ 3Å
292	T	87.2	Confident	93.8	Very high	109 Å²	109	60.9 Å²	60.9	67%	0.669	33%	0.326	S	S	*	.			trans	-139.1	152.2	-179.4	59.2	0	0	0	0	109.2
293	S	91.3	Very high	93.7	Very high	35 Å²	35	61.4 Å²	61.4	25%	0.245	33%	0.331	C	S	.	.			trans	-150	156	175.1	-170.6	0	0	0	0	110.7	L265 M295	L265-S293 WeakPolarHBondContact CA-OG 3.35Å; L265-S293 WeakPolarHBondContact CD2-OG 3.2Å; L265-S293 WeakPolarHBondContact O-CB 3.43Å; L265-S293 PolarHBondContact O-OG 2.97Å; S293-M295 VanDerWaalsContact OG-CB 3.26Å; S293-M295 WeakPolarHBondContact OG-CB 3.31Å; S293-M295 PolarHBondContact OG-N 2.92Å
294	S	89.3	Confident	93.7	Very high	70 Å²	70	63.7 Å²	63.7	49%	0.49	35%	0.351	S	S	.	.	S	Bend	trans	-89.5	-6.8	165.7	78.6	0	0	0	0	112.8	T267 Q296	T267-S294 PolarHBondContact O-OG 2.89Å; S294-Q296 PolarHBondContact O-N 2.82Å
295	M	95.3	Very high	93.6	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.03	33%	0.33	C	S	.	.			trans	-65.8	130.6	177.1	-173.8	-177.4	-67.1	0	0	110.4	T264 L265 A270 L272 S293 V324	T264-M295 HydrophobicContact CG2-CE 3.35Å; L265-M295 HydrophobicContact CD2-CB 4.09Å; L265-M295 HydrophobicContact CD2-CE 4Å; L265-M295 HydrophobicContact CD2-SD 3.81Å; A270-M295 WeakPolarHBondContact O-CG 3.28Å; L272-M295 HydrophobicContact CB-CE 3.68Å; L272-M295 HydrophobicContact CB-SD 3.83Å; L272-M295 HydrophobicContact CD2-CE 4.1Å; S293-M295 VanDerWaalsContact OG-CB 3.26Å; S293-M295 WeakPolarHBondContact OG-CB 3.31Å; S293-M295 PolarHBondContact OG-N 2.92Å; M295-V324 HydrophobicContact CB-CG1 4.21Å; M295-V324 HydrophobicContact CG-CG1 4Å; M295-V324 HydrophobicContact SD-CG1 4Å
296	Q	96	Very high	93.3	Very high	102 Å²	102	55.1 Å²	55.1	48%	0.477	32%	0.319	S	S	.	.			trans	-92.3	-40.1	-178.9	-64.5	176	-2.3	0	0	111.4	A270 S294 E325 H326	A270-Q296 PolarHBondContact O-N 2.78Å; S294-Q296 PolarHBondContact O-N 2.82Å; Q296-E325 PolarHBondContact O-N 2.92Å; Q296-H326 PolarHBondContact O-N 3.34Å
297	S	97.6	Very high	93.1	Very high	21 Å²	21	53.5 Å²	53.5	15%	0.147	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.4	-172.3	-175.7	0	0	0	0	113.4	A270 Q271 L272 H326	A270-S297 PolarHBondContact O-N 2.94Å; A270-S297 VanDerWaalsContact O-N 3.07Å; Q271-S297 WeakPolarHBondContact CA-O 3.47Å; L272-S297 PolarHBondContact N-O 2.93Å; S297-H326 WeakPolarHBondContact CA-O 3.45Å
298	F	97.7	Very high	92.6	Very high	6 Å²	6	61 Å²	61	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.3	166.9	176.9	-94.7	0	0	0	110	I261 L272 A300 F319 L322 V324 H326 C327 A328	I261-F298 HydrophobicContact CD1-CE2 3.95Å; I261-F298 HydrophobicContact CD1-CZ 4.19Å; I261-F298 HydrophobicContact CG1-CE2 4.31Å; L272-F298 HydrophobicContact CB-CD2 4.26Å; L272-F298 HydrophobicContact CD2-CD2 3.97Å; L272-F298 HydrophobicContact CD2-CE2 4.02Å; L272-F298 HydrophobicContact CG-CD2 4.12Å; L272-F298 HydrophobicContact CG-CE2 4.28Å; L272-F298 CarbonylContact O-C 3.52Å; L272-F298 WeakPolarHBondContact O-CA 3.39Å; F298-A300 HydrophobicContact CE1-CB 3.95Å; F298-A300 HydrophobicContact CZ-CB 4.11Å; F298-F319 AromaticContact CE1-CD1 3.74Å; F298-F319 HydrophobicContact CE1-CD1 3.74Å; F298-F319 AromaticContact CE1-CE1 3.96Å; F298-F319 HydrophobicContact CE1-CE1 3.96Å; F298-F319 HydrophobicContact CZ-CD1 4.06Å; F298-F319 AromaticContact CZ-CE1 3.85Å; F298-F319 HydrophobicContact CZ-CE1 3.85Å; F298-L322 HydrophobicContact CB-CD1 4.08Å; F298-L322 HydrophobicContact CD1-CD1 3.54Å; F298-L322 HydrophobicContact CD2-CD1 4.24Å; F298-L322 HydrophobicContact CE1-CD1 4.01Å; F298-L322 HydrophobicContact CG-CD1 3.67Å; F298-V324 HydrophobicContact CB-CG1 4.44Å; F298-V324 HydrophobicContact CB-CG2 4.37Å; F298-H326 PolarHBondContact N-O 3.22Å; F298-C327 WeakPolarHBondContact O-CA 3.33Å; F298-A328 PolarHBondContact O-N 3.42Å
299	T	97.6	Very high	92.4	Very high	48 Å²	48	64.9 Å²	64.9	29%	0.294	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.5	176.7	-59.8	0	0	0	0	111.2	L272 S273 A274 A328	L272-T299 PolarHBondContact O-N 3.22Å; S273-T299 CarbonylContact C-O 3.13Å; S273-T299 VanDerWaalsContact CA-O 3.22Å; S273-T299 WeakPolarHBondContact CA-O 3.22Å; A274-T299 PolarHBondContact N-O 2.92Å; T299-A328 CarbonylContact C-O 3.51Å; T299-A328 VanDerWaalsContact CA-O 3.29Å; T299-A328 WeakPolarHBondContact CA-O 3.44Å; T299-A328 HydrophobicContact CG2-CB 4.07Å
300	A	96.6	Very high	92.4	Very high	7 Å²	7	65 Å²	65	6%	0.058	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.9	171	0	0	0	0	0	110.7	A274 F298 A328 I329 V330	A274-A300 CarbonylContact O-C 3.58Å; A274-A300 VanDerWaalsContact O-CA 3.26Å; A274-A300 WeakPolarHBondContact O-CA 3.44Å; F298-A300 HydrophobicContact CE1-CB 3.95Å; F298-A300 HydrophobicContact CZ-CB 4.11Å; A300-A328 PolarHBondContact N-O 2.82Å; A300-I329 HydrophobicContact CB-CG1 4.37Å; A300-I329 HydrophobicContact CB-CG2 4.41Å; A300-I329 CarbonylContact O-C 3.58Å; A300-I329 VanDerWaalsContact O-CA 3.29Å; A300-I329 WeakPolarHBondContact O-CA 3.33Å; A300-V330 PolarHBondContact O-N 2.99Å
301	S	96.9	Very high	92.7	Very high	17 Å²	17	66.4 Å²	66.4	12%	0.119	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147	177.4	60.9	0	0	0	0	112.6	A274 S275 D276 A303 V330	A274-S301 PolarHBondContact O-N 2.84Å; S275-S301 WeakPolarHBondContact CA-O 3.29Å; S275-S301 WeakPolarHBondContact CA-OG 3.36Å; S275-S301 VanDerWaalsContact CB-OG 3.23Å; S275-S301 WeakPolarHBondContact CB-OG 3.31Å; D276-S301 PolarHBondContact N-O 3.38Å; S301-A303 PolarHBondContact O-N 2.89Å; S301-V330 VanDerWaalsContact CA-O 3.31Å; S301-V330 WeakPolarHBondContact CA-O 3.21Å
302	R	96.3	Very high	92.9	Very high	108 Å²	108	62.7 Å²	62.7	41%	0.408	34%	0.341	S	S	.	.	S	Bend	trans	49.4	43.3	177.4	-61.7	-178.7	-62.4	-76.2	-3.5	112.9	D276 V277 V330 E331 T332	D276-R302 IonicContact OD1-CZ 3.01Å; D276-R302 IonicContact OD1-NE 3.42Å; D276-R302 PolarHBondContact OD1-NE 2.96Å; D276-R302 IonicContact OD1-NH2 3.19Å; D276-R302 IonicContact OD2-CZ 3.71Å; D276-R302 IonicContact OD2-NE 3.54Å; D276-R302 PolarHBondContact OD2-NE 3.27Å; D276-R302 IonicContact OD2-NH2 2.89Å; D276-R302 PolarHBondContact OD2-NH2 2.94Å; V277-R302 PolarHBondContact N-O 2.89Å; R302-V330 PolarHBondContact N-O 3.13Å; R302-E331 WeakPolarHBondContact CA-O 3.35Å; R302-E331 WeakPolarHBondContact CD-OE2 3.4Å; R302-E331 HydrophobicContact CG-CB 3.79Å; R302-E331 VanDerWaalsContact CG-OE2 3.22Å; R302-E331 WeakPolarHBondContact CG-OE2 3.06Å; R302-E331 IonicContact CZ-OE2 2.85Å; R302-E331 IonicContact NH1-OE2 2.75Å; R302-E331 PolarHBondContact NH1-OE2 3.04Å; R302-T332 PolarHBondContact N-OG1 2.95Å
303	A	93.9	Very high	93	Very high	20 Å²	20	63.1 Å²	63.1	17%	0.165	34%	0.335	C	S	.	.			trans	-81.8	144.6	176.3	0	0	0	0	0	110.7	V277 S301 T332	V277-A303 HydrophobicContact CB-CB 4.13Å; V277-A303 CarbonylContact O-C 3.58Å; V277-A303 VanDerWaalsContact O-CA 3.3Å; V277-A303 WeakPolarHBondContact O-CA 3.31Å; S301-A303 PolarHBondContact O-N 2.89Å; A303-T332 HydrophobicContact CB-CG2 3.85Å; A303-T332 PolarHBondContact N-OG1 3.31Å; A303-T332 VanDerWaalsContact N-OG1 3.1Å; A303-T332 WeakPolarHBondContact O-CG2 3.29Å
304	A	94.2	Very high	93.1	Very high	56 Å²	56	61.5 Å²	61.5	46%	0.463	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.6	178	0	0	0	0	0	110.5	V277 A278 I279	V277-A304 PolarHBondContact O-N 2.91Å; A278-A304 CarbonylContact C-O 3.44Å; A278-A304 WeakPolarHBondContact CA-O 3.13Å; I279-A304 PolarHBondContact N-O 2.81Å
305	V	92.4	Very high	93.3	Very high	53 Å²	53	58.6 Å²	58.6	32%	0.321	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.9	170.5	-68.4	0	0	0	0	109.7	I279 P282 F310 L315	I279-V305 HydrophobicContact CB-CG1 4.28Å; I279-V305 WeakPolarHBondContact O-CA 3.49Å; P282-V305 HydrophobicContact CB-CG1 4.2Å; P282-V305 HydrophobicContact CG-CB 4.34Å; P282-V305 HydrophobicContact CG-CG1 4.37Å; V305-F310 HydrophobicContact CB-CE1 4.39Å; V305-F310 HydrophobicContact CG1-CZ 4.34Å; V305-F310 HydrophobicContact CG2-CE1 3.75Å; V305-F310 HydrophobicContact CG2-CZ 3.9Å; V305-L315 HydrophobicContact CG1-CD1 4.48Å
306	T	89.6	Confident	93.2	Very high	80 Å²	80	58.8 Å²	58.8	49%	0.491	30%	0.303	S	S	.	.	S	Bend	trans	-89.9	-8.2	-179.9	61.3	0	0	0	0	113.8	A278 I279 N280	A278-T306 HydrophobicContact CB-CG2 4.27Å; I279-T306 PolarHBondContact O-N 2.8Å; I279-T306 PolarHBondContact O-OG1 3.49Å; N280-T306 WeakPolarHBondContact CA-OG1 3.44Å; N280-T306 WeakPolarHBondContact OD1-CB 3.43Å; N280-T306 WeakPolarHBondContact OD1-CG2 3.26Å; N280-T306 PolarHBondContact OD1-OG1 3.07Å
307	S	88.3	Confident	93	Very high	38 Å²	38	54.4 Å²	54.4	27%	0.266	28%	0.283	S	S	.	.			trans	-125.8	144.4	178.8	176.8	0	0	0	0	111.3	F309 F310	S307-F309 PolarHBondContact OG-N 2.94Å; S307-F310 VanDerWaalsContact O-CD1 3.28Å; S307-F310 WeakPolarHBondContact O-CD1 3.47Å; S307-F310 VanDerWaalsContact O-CE1 3.31Å; S307-F310 WeakPolarHBondContact O-CE1 3.38Å
308	F	84.4	Confident	92.9	Very high	191 Å²	191	53.6 Å²	53.6	84%	0.838	28%	0.277	S	S	*	.	S	Bend	trans	-90.9	-9.7	176.1	-61.8	-76	0	0	0	113.8
309	F	88.5	Confident	92.7	Very high	187 Å²	187	54.2 Å²	54.2	82%	0.82	28%	0.28	S	S	*	.			trans	-99.9	89	-178.2	-64.1	-79.6	0	0	0	110.9	S307	S307-F309 PolarHBondContact OG-N 2.94Å
310	F	93.3	Very high	92.5	Very high	45 Å²	45	51.9 Å²	51.9	20%	0.197	27%	0.266	C	S	.	.	S	Bend	trans	-157.9	167.5	176.7	66.4	-80.6	0	0	0	112.1	P282 P283 V305 S307 Q312 L315	P282-F310 HydrophobicContact CB-CB 3.63Å; P282-F310 HydrophobicContact CB-CD1 4.09Å; P282-F310 HydrophobicContact CB-CD2 3.96Å; P282-F310 HydrophobicContact CB-CG 3.64Å; P282-F310 HydrophobicContact CG-CB 3.66Å; P282-F310 HydrophobicContact CG-CD1 3.67Å; P282-F310 HydrophobicContact CG-CD2 4.45Å; P282-F310 HydrophobicContact CG-CE1 4.45Å; P282-F310 HydrophobicContact CG-CG 3.68Å; P283-F310 WeakPolarHBondContact O-CB 3.35Å; V305-F310 HydrophobicContact CB-CE1 4.39Å; V305-F310 HydrophobicContact CG1-CZ 4.34Å; V305-F310 HydrophobicContact CG2-CE1 3.75Å; V305-F310 HydrophobicContact CG2-CZ 3.9Å; S307-F310 VanDerWaalsContact O-CD1 3.28Å; S307-F310 WeakPolarHBondContact O-CD1 3.47Å; S307-F310 VanDerWaalsContact O-CE1 3.31Å; S307-F310 WeakPolarHBondContact O-CE1 3.38Å; F310-Q312 HydrophobicContact CD2-CG 4.44Å; F310-Q312 HydrophobicContact CE2-CB 4.41Å; F310-Q312 HydrophobicContact CE2-CG 3.76Å; F310-Q312 HydrophobicContact CZ-CG 4.07Å; F310-L315 HydrophobicContact CD2-CB 4.48Å; F310-L315 HydrophobicContact CE2-CB 4.38Å; F310-L315 HydrophobicContact CE2-CD2 4.32Å
311	S	93.4	Very high	92.4	Very high	36 Å²	36	53.7 Å²	53.7	25%	0.252	27%	0.274	S	S	.	.			trans	-86.3	108.3	171.8	174.6	0	0	0	0	109.8	P283 I284 E313 A314 L315	P283-S311 PolarHBondContact O-N 3.01Å; I284-S311 VanDerWaalsContact O-CB 3.29Å; I284-S311 WeakPolarHBondContact O-CB 3.26Å; S311-E313 VanDerWaalsContact C-N 3.28Å; S311-E313 PolarHBondContact O-N 2.92Å; S311-A314 PolarHBondContact O-N 2.92Å; S311-A314 WeakPolarHBondContact OG-CB 3.36Å; S311-A314 PolarHBondContact OG-N 2.78Å; S311-A314 VanDerWaalsContact OG-N 3.16Å; S311-L315 PolarHBondContact O-N 3.39Å; S311-L315 VanDerWaalsContact O-N 3.13Å
312	Q	90.1	Very high	92.3	Very high	81 Å²	81	53 Å²	53	38%	0.379	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-40.3	174.2	-68	-175.9	6.9	0	0	111.5	F310 A314 L315 Y316	F310-Q312 HydrophobicContact CD2-CG 4.44Å; F310-Q312 HydrophobicContact CE2-CB 4.41Å; F310-Q312 HydrophobicContact CE2-CG 3.76Å; F310-Q312 HydrophobicContact CZ-CG 4.07Å; Q312-A314 VanDerWaalsContact C-N 3.33Å; Q312-A314 PolarHBondContact O-N 2.8Å; Q312-L315 WeakPolarHBondContact O-CB 3.39Å; Q312-L315 PolarHBondContact O-N 3.03Å; Q312-Y316 HydrophobicContact CB-CD2 4.36Å; Q312-Y316 HydrophobicContact CB-CE2 3.74Å; Q312-Y316 WeakPolarHBondContact O-CD2 3.34Å; Q312-Y316 PolarHBondContact O-N 2.98Å
313	E	90.3	Very high	92.3	Very high	118 Å²	118	48.7 Å²	48.7	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-58.9	-45	176.8	-172	-174	165.2	0	0	111.2	S311 L315 Y316 N317 T338	S311-E313 VanDerWaalsContact C-N 3.28Å; S311-E313 PolarHBondContact O-N 2.92Å; E313-L315 VanDerWaalsContact C-N 3.34Å; E313-L315 PolarHBondContact O-N 3.49Å; E313-Y316 PolarHBondContact O-N 3.2Å; E313-N317 WeakPolarHBondContact O-CB 3.35Å; E313-N317 PolarHBondContact O-N 3.29Å; E313-N317 PolarHBondContact O-ND2 2.96Å; E313-T338 HydrophobicContact CG-CG2 3.93Å
314	A	93.3	Very high	92.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-39	177.8	0	0	0	0	0	113	P283 K285 D286 S311 Q312 F318	P283-A314 HydrophobicContact CB-CB 4.07Å; P283-A314 HydrophobicContact CG-CB 4.13Å; K285-A314 WeakPolarHBondContact O-CB 3.43Å; D286-A314 WeakPolarHBondContact OD1-CA 3.33Å; S311-A314 PolarHBondContact O-N 2.92Å; S311-A314 WeakPolarHBondContact OG-CB 3.36Å; S311-A314 PolarHBondContact OG-N 2.78Å; S311-A314 VanDerWaalsContact OG-N 3.16Å; Q312-A314 VanDerWaalsContact C-N 3.33Å; Q312-A314 PolarHBondContact O-N 2.8Å; A314-F318 PolarHBondContact O-N 3.08Å
315	L	93.4	Very high	92.5	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.052	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-51	176.5	-171	104.2	0	0	0	110.8	W254 P282 P283 V305 F310 S311 Q312 E313 F318 F319	W254-L315 HydrophobicContact CE3-CD1 3.89Å; W254-L315 HydrophobicContact CH2-CD1 3.8Å; W254-L315 HydrophobicContact CH2-CG 4.14Å; W254-L315 HydrophobicContact CZ3-CD1 3.38Å; W254-L315 HydrophobicContact CZ3-CG 4.13Å; P282-L315 HydrophobicContact CB-CD1 4.41Å; P283-L315 HydrophobicContact CG-CB 3.93Å; P283-L315 HydrophobicContact CG-CD1 4.07Å; V305-L315 HydrophobicContact CG1-CD1 4.48Å; F310-L315 HydrophobicContact CD2-CB 4.48Å; F310-L315 HydrophobicContact CE2-CB 4.38Å; F310-L315 HydrophobicContact CE2-CD2 4.32Å; S311-L315 PolarHBondContact O-N 3.39Å; S311-L315 VanDerWaalsContact O-N 3.13Å; Q312-L315 WeakPolarHBondContact O-CB 3.39Å; Q312-L315 PolarHBondContact O-N 3.03Å; E313-L315 VanDerWaalsContact C-N 3.34Å; E313-L315 PolarHBondContact O-N 3.49Å; L315-F318 WeakPolarHBondContact O-CB 3.27Å; L315-F318 PolarHBondContact O-N 2.86Å; L315-F319 HydrophobicContact CG-CE2 4.21Å; L315-F319 VanDerWaalsContact O-CD2 3.29Å; L315-F319 WeakPolarHBondContact O-CD2 3.35Å
316	Y	92.7	Very high	92.7	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.035	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-39.2	-178.9	-56.1	-26	0	0	0	111.9	Q312 E313 F318 F319 I320 L334 H336 M337 T338	Q312-Y316 HydrophobicContact CB-CD2 4.36Å; Q312-Y316 HydrophobicContact CB-CE2 3.74Å; Q312-Y316 WeakPolarHBondContact O-CD2 3.34Å; Q312-Y316 PolarHBondContact O-N 2.98Å; E313-Y316 PolarHBondContact O-N 3.2Å; Y316-F318 PolarHBondContact O-N 3.22Å; Y316-F319 PolarHBondContact O-N 2.76Å; Y316-I320 WeakPolarHBondContact O-CG2 3.18Å; Y316-I320 PolarHBondContact O-N 3.27Å; Y316-L334 HydrophobicContact CD1-CD2 4.18Å; Y316-L334 HydrophobicContact CE1-CB 4.47Å; Y316-L334 HydrophobicContact CE1-CD2 3.56Å; Y316-H336 WeakPolarHBondContact CD2-O 3.29Å; Y316-H336 HydrophobicContact CE2-CB 4.02Å; Y316-H336 WeakPolarHBondContact CE2-O 3.28Å; Y316-M337 HydrophobicContact CD1-CE 4.48Å; Y316-M337 HydrophobicContact CG-SD 4.46Å; Y316-T338 HydrophobicContact CD2-CG2 4.27Å
317	N	93.1	Very high	93.1	Very high	10 Å²	10	46 Å²	46	5%	0.053	22%	0.221	C	C	.	.	H	α-helix	trans	-57.5	-37.2	175.3	-78	-14.8	0	0	0	111.9	D286 E313 N321 T338	D286-N317 PolarHBondContact OD1-ND2 2.95Å; E313-N317 WeakPolarHBondContact O-CB 3.35Å; E313-N317 PolarHBondContact O-N 3.29Å; E313-N317 PolarHBondContact O-ND2 2.96Å; N317-N321 WeakPolarHBondContact O-CB 3.48Å; N317-N321 PolarHBondContact O-N 3.29Å; N317-N321 PolarHBondContact O-ND2 2.67Å; N317-T338 PolarHBondContact OD1-OG1 2.77Å
318	F	94.5	Very high	93.6	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-50.3	178.4	-179	-94.4	0	0	0	111.5	W254 T258 I261 T287 L289 A314 L315 Y316	W254-F318 HydrophobicContact CH2-CB 3.82Å; W254-F318 AromaticContact CH2-CD1 3.9Å; W254-F318 HydrophobicContact CH2-CD1 3.9Å; W254-F318 AromaticContact CH2-CG 3.91Å; W254-F318 HydrophobicContact CH2-CG 3.91Å; W254-F318 HydrophobicContact CZ2-CB 3.79Å; W254-F318 HydrophobicContact CZ2-CD1 4.26Å; W254-F318 HydrophobicContact CZ2-CD2 4.32Å; W254-F318 AromaticContact CZ2-CG 3.86Å; W254-F318 HydrophobicContact CZ2-CG 3.86Å; T258-F318 HydrophobicContact CG2-CD1 4.28Å; T258-F318 HydrophobicContact CG2-CD2 3.88Å; T258-F318 HydrophobicContact CG2-CE1 3.97Å; T258-F318 HydrophobicContact CG2-CE2 3.5Å; T258-F318 VanDerWaalsContact CG2-CE2 3.5Å; T258-F318 HydrophobicContact CG2-CG 4.25Å; T258-F318 HydrophobicContact CG2-CZ 3.57Å; I261-F318 HydrophobicContact CB-CE1 4.48Å; I261-F318 HydrophobicContact CB-CZ 4.16Å; I261-F318 HydrophobicContact CD1-CE1 3.72Å; I261-F318 HydrophobicContact CD1-CZ 4.21Å; I261-F318 HydrophobicContact CG2-CE1 4.25Å; I261-F318 HydrophobicContact CG2-CZ 4.02Å; T287-F318 HydrophobicContact CG2-CD2 4.38Å; T287-F318 HydrophobicContact CG2-CE2 4.44Å; L289-F318 HydrophobicContact CD1-CD2 4.04Å; L289-F318 HydrophobicContact CD1-CE1 4.45Å; L289-F318 HydrophobicContact CD1-CE2 3.42Å; L289-F318 VanDerWaalsContact CD1-CE2 3.42Å; L289-F318 HydrophobicContact CD1-CZ 3.65Å; A314-F318 PolarHBondContact O-N 3.08Å; L315-F318 WeakPolarHBondContact O-CB 3.27Å; L315-F318 PolarHBondContact O-N 2.86Å; Y316-F318 PolarHBondContact O-N 3.22Å
319	F	94.3	Very high	94.2	Very high	19 Å²	19	36.1 Å²	36.1	8%	0.083	18%	0.176	C	C	.	.	H	α-helix	trans	-75	-41.8	-175.2	-64.4	-70.8	0	0	0	113.9	W254 I261 F298 L315 Y316 N321 L322 I329	W254-F319 HydrophobicContact CH2-CE2 4Å; W254-F319 HydrophobicContact CH2-CZ 4.29Å; W254-F319 AromaticContact CZ3-CE2 3.97Å; W254-F319 HydrophobicContact CZ3-CE2 3.97Å; W254-F319 HydrophobicContact CZ3-CZ 4.04Å; I261-F319 HydrophobicContact CD1-CE1 4.45Å; F298-F319 AromaticContact CE1-CD1 3.74Å; F298-F319 HydrophobicContact CE1-CD1 3.74Å; F298-F319 AromaticContact CE1-CE1 3.96Å; F298-F319 HydrophobicContact CE1-CE1 3.96Å; F298-F319 HydrophobicContact CZ-CD1 4.06Å; F298-F319 AromaticContact CZ-CE1 3.85Å; F298-F319 HydrophobicContact CZ-CE1 3.85Å; L315-F319 HydrophobicContact CG-CE2 4.21Å; L315-F319 VanDerWaalsContact O-CD2 3.29Å; L315-F319 WeakPolarHBondContact O-CD2 3.35Å; Y316-F319 PolarHBondContact O-N 2.76Å; F319-N321 PolarHBondContact O-N 3.27Å; F319-L322 HydrophobicContact CD1-CD1 4.19Å; F319-L322 WeakPolarHBondContact O-CB 3.4Å; F319-L322 WeakPolarHBondContact O-CD1 3.29Å; F319-L322 WeakPolarHBondContact O-CG 3.49Å; F319-L322 PolarHBondContact O-N 3.25Å; F319-I329 HydrophobicContact CB-CD1 3.66Å; F319-I329 HydrophobicContact CD1-CD1 4.01Å; F319-I329 HydrophobicContact CD2-CD1 3.99Å; F319-I329 HydrophobicContact CG-CD1 3.62Å
320	I	93.9	Very high	94.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-71.7	-18.9	-176.5	-156.9	68.8	0	0	0	112.9	Y316 M337 P340 L349 F351 F361	Y316-I320 WeakPolarHBondContact O-CG2 3.18Å; Y316-I320 PolarHBondContact O-N 3.27Å; I320-M337 HydrophobicContact CB-SD 4.04Å; I320-M337 HydrophobicContact CD1-CG 4Å; I320-M337 HydrophobicContact CD1-SD 4.06Å; I320-M337 HydrophobicContact CG1-CG 4.46Å; I320-M337 HydrophobicContact CG1-SD 4.31Å; I320-P340 HydrophobicContact CG1-CG 3.74Å; I320-P340 HydrophobicContact CG2-CG 4.2Å; I320-L349 HydrophobicContact CD1-CD1 4.35Å; I320-L349 HydrophobicContact CD1-CD2 4.01Å; I320-F351 HydrophobicContact CD1-CE2 3.98Å; I320-F351 HydrophobicContact CD1-CZ 3.79Å; I320-F361 HydrophobicContact CD1-CE1 4.38Å
321	N	94.3	Very high	94.8	Very high	45 Å²	45	30.9 Å²	30.9	24%	0.241	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	7.3	176.2	-66.4	-80.4	0	0	0	112.9	L289 N317 F319 P340 K341	L289-N321 VanDerWaalsContact CD2-C 3.46Å; L289-N321 HydrophobicContact CD2-CB 4.24Å; L289-N321 WeakPolarHBondContact CD2-O 3.47Å; N317-N321 WeakPolarHBondContact O-CB 3.48Å; N317-N321 PolarHBondContact O-N 3.29Å; N317-N321 PolarHBondContact O-ND2 2.67Å; F319-N321 PolarHBondContact O-N 3.27Å; N321-P340 WeakPolarHBondContact OD1-CA 3.26Å; N321-P340 WeakPolarHBondContact OD1-CB 3.06Å; N321-K341 PolarHBondContact OD1-N 3.48Å
322	L	94.8	Very high	94.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.147	C	C	.	.			trans	-54.6	130.7	174.2	-76.3	168.4	0	0	0	111.2	I261 L265 L289 F298 F319 V324	I261-L322 HydrophobicContact CG2-CD2 3.85Å; L265-L322 HydrophobicContact CD1-CD2 4.1Å; L289-L322 HydrophobicContact CD1-CD2 3.75Å; L289-L322 HydrophobicContact CD2-CD2 4.21Å; F298-L322 HydrophobicContact CB-CD1 4.08Å; F298-L322 HydrophobicContact CD1-CD1 3.54Å; F298-L322 HydrophobicContact CD2-CD1 4.24Å; F298-L322 HydrophobicContact CE1-CD1 4.01Å; F298-L322 HydrophobicContact CG-CD1 3.67Å; F319-L322 HydrophobicContact CD1-CD1 4.19Å; F319-L322 WeakPolarHBondContact O-CB 3.4Å; F319-L322 WeakPolarHBondContact O-CD1 3.29Å; F319-L322 WeakPolarHBondContact O-CG 3.49Å; F319-L322 PolarHBondContact O-N 3.25Å; L322-V324 HydrophobicContact CB-CG1 4.44Å; L322-V324 HydrophobicContact CB-CG2 3.93Å; L322-V324 PolarHBondContact O-N 3.16Å
323	P	95.1	Very high	94.9	Very high	18 Å²	18	31 Å²	31	12%	0.117	17%	0.165	C	C	.	.	S	Bend	trans	-80.5	59	-178.5	35.5	-37.7	0	0	0	110.8	L265	L265-P323 HydrophobicContact CD1-CG 4.25Å; L265-P323 HydrophobicContact CD2-CG 4.22Å
324	V	95.8	Very high	94.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	14%	0.142	C	C	.	.			trans	-123.8	158.3	-177.7	-61.6	0	0	0	0	110.6	L265 M295 F298 L322 H326 C327 I346	L265-V324 HydrophobicContact CD2-CG1 4.39Å; M295-V324 HydrophobicContact CB-CG1 4.21Å; M295-V324 HydrophobicContact CG-CG1 4Å; M295-V324 HydrophobicContact SD-CG1 4Å; F298-V324 HydrophobicContact CB-CG1 4.44Å; F298-V324 HydrophobicContact CB-CG2 4.37Å; L322-V324 HydrophobicContact CB-CG1 4.44Å; L322-V324 HydrophobicContact CB-CG2 3.93Å; L322-V324 PolarHBondContact O-N 3.16Å; V324-H326 WeakPolarHBondContact CG2-O 3.4Å; V324-C327 HydrophobicContact CG2-CB 3.98Å; V324-I346 WeakPolarHBondContact O-CA 3.47Å; V324-I346 VanDerWaalsContact O-CG1 3.25Å; V324-I346 WeakPolarHBondContact O-CG1 3.16Å; V324-I346 PolarHBondContact O-N 3.44Å
325	E	96.7	Very high	94.7	Very high	93 Å²	93	30.1 Å²	30.1	44%	0.435	16%	0.164	S	C	.	.	S	Bend	trans	-83.6	-31.8	176.1	-66.8	-177.3	-175.7	0	0	111.7	Q296 L347 E348	Q296-E325 PolarHBondContact O-N 2.92Å; E325-L347 HydrophobicContact CB-CD1 4.27Å; E325-L347 HydrophobicContact CB-CG 4.32Å; E325-L347 HydrophobicContact CG-CD1 4.3Å; E325-L347 PolarHBondContact O-N 2.92Å; E325-E348 PolarHBondContact O-N 3.41Å
326	H	97.9	Very high	94.5	Very high	55 Å²	55	31.2 Å²	31.2	26%	0.255	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.7	-179.5	-54	-97	0	0	0	109.9	Q296 S297 F298 V324 E348	Q296-H326 PolarHBondContact O-N 3.34Å; S297-H326 WeakPolarHBondContact CA-O 3.45Å; F298-H326 PolarHBondContact N-O 3.22Å; V324-H326 WeakPolarHBondContact CG2-O 3.4Å; H326-E348 IonicContact CE1-OE1 2.54Å; H326-E348 IonicContact CE1-OE2 3.54Å; H326-E348 PolarHBondContact CE1-OE2 3.13Å; H326-E348 VanDerWaalsContact CE1-OE2 3.26Å; H326-E348 IonicContact CG-OE2 3.72Å; H326-E348 VanDerWaalsContact ND1-CG 3.33Å; H326-E348 WeakPolarHBondContact ND1-CG 3.4Å; H326-E348 IonicContact ND1-OE1 3.71Å; H326-E348 IonicContact ND1-OE2 2.91Å; H326-E348 PolarHBondContact ND1-OE2 3.35Å
327	C	97.5	Very high	94.5	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	118.4	176.3	-176.2	0	0	0	0	110.1	F298 V324 I346 E348 L349 D350	F298-C327 WeakPolarHBondContact O-CA 3.33Å; V324-C327 HydrophobicContact CG2-CB 3.98Å; C327-I346 HydrophobicContact CB-CD1 4.07Å; C327-E348 PolarHBondContact N-O 2.86Å; C327-L349 HydrophobicContact CB-CD2 4.05Å; C327-L349 WeakPolarHBondContact O-CA 3.3Å; C327-D350 PolarHBondContact O-N 3.18Å
328	A	97.9	Very high	94.4	Very high	16 Å²	16	30.8 Å²	30.8	13%	0.132	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.3	178.9	0	0	0	0	0	110.4	F298 T299 A300 D350	F298-A328 PolarHBondContact O-N 3.42Å; T299-A328 CarbonylContact C-O 3.51Å; T299-A328 VanDerWaalsContact CA-O 3.29Å; T299-A328 WeakPolarHBondContact CA-O 3.44Å; T299-A328 HydrophobicContact CG2-CB 4.07Å; A300-A328 PolarHBondContact N-O 2.82Å; A328-D350 CarbonylContact C-O 3.56Å; A328-D350 WeakPolarHBondContact CA-O 3.13Å; A328-D350 HydrophobicContact CB-CB 3.89Å
329	I	97.1	Very high	94.3	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	108.3	164.9	-53.5	-179.4	0	0	0	107.1	A300 F319 T332 L334 D350 F351 C354	A300-I329 HydrophobicContact CB-CG1 4.37Å; A300-I329 HydrophobicContact CB-CG2 4.41Å; A300-I329 CarbonylContact O-C 3.58Å; A300-I329 VanDerWaalsContact O-CA 3.29Å; A300-I329 WeakPolarHBondContact O-CA 3.33Å; F319-I329 HydrophobicContact CB-CD1 3.66Å; F319-I329 HydrophobicContact CD1-CD1 4.01Å; F319-I329 HydrophobicContact CD2-CD1 3.99Å; F319-I329 HydrophobicContact CG-CD1 3.62Å; I329-T332 HydrophobicContact CG2-CG2 3.95Å; I329-L334 HydrophobicContact CB-CD1 4.25Å; I329-L334 HydrophobicContact CG2-CD1 3.82Å; I329-D350 PolarHBondContact N-O 3.35Å; I329-F351 HydrophobicContact CB-CD1 3.91Å; I329-F351 HydrophobicContact CB-CE1 3.89Å; I329-F351 HydrophobicContact CD1-CE1 4.07Å; I329-F351 HydrophobicContact CG1-CE1 3.99Å; I329-F351 WeakPolarHBondContact O-CA 3.5Å; I329-C354 PolarHBondContact O-SG 3.45Å
330	V	97.6	Very high	94.1	Very high	25 Å²	25	30.4 Å²	30.4	15%	0.152	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	157	-170.8	-60.1	0	0	0	0	111.7	A300 S301 R302 T332 D350 S352	A300-V330 PolarHBondContact O-N 2.99Å; S301-V330 VanDerWaalsContact CA-O 3.31Å; S301-V330 WeakPolarHBondContact CA-O 3.21Å; R302-V330 PolarHBondContact N-O 3.13Å; V330-T332 PolarHBondContact O-N 3.16Å; V330-T332 PolarHBondContact O-OG1 3.29Å; V330-D350 HydrophobicContact CG1-CB 4.46Å; V330-S352 CarbonylContact C-O 3.49Å; V330-S352 VanDerWaalsContact CA-O 3.27Å; V330-S352 WeakPolarHBondContact CA-O 3.37Å
331	E	97	Very high	93.6	Very high	97 Å²	97	36.6 Å²	36.6	45%	0.453	19%	0.194	S	C	.	.	S	Bend	trans	52.9	30.3	176	-56.4	179.8	172.3	0	0	113.1	R302 S352 F353	R302-E331 WeakPolarHBondContact CA-O 3.35Å; R302-E331 WeakPolarHBondContact CD-OE2 3.4Å; R302-E331 HydrophobicContact CG-CB 3.79Å; R302-E331 VanDerWaalsContact CG-OE2 3.22Å; R302-E331 WeakPolarHBondContact CG-OE2 3.06Å; R302-E331 IonicContact CZ-OE2 2.85Å; R302-E331 IonicContact NH1-OE2 2.75Å; R302-E331 PolarHBondContact NH1-OE2 3.04Å; E331-S352 PolarHBondContact N-O 3.46Å; E331-F353 WeakPolarHBondContact CA-O 3.47Å; E331-F353 HydrophobicContact CG-CB 4.33Å
332	T	94.8	Very high	93.3	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	21%	0.212	C	C	.	.	S	Bend	trans	-126.1	122.3	-170.2	-65.8	0	0	0	0	108.5	R302 A303 I329 V330 L334 C354	R302-T332 PolarHBondContact N-OG1 2.95Å; A303-T332 HydrophobicContact CB-CG2 3.85Å; A303-T332 PolarHBondContact N-OG1 3.31Å; A303-T332 VanDerWaalsContact N-OG1 3.1Å; A303-T332 WeakPolarHBondContact O-CG2 3.29Å; I329-T332 HydrophobicContact CG2-CG2 3.95Å; V330-T332 PolarHBondContact O-N 3.16Å; V330-T332 PolarHBondContact O-OG1 3.29Å; T332-L334 VanDerWaalsContact C-N 3.34Å; T332-L334 HydrophobicContact CG2-CD1 4.44Å; T332-L334 HydrophobicContact CG2-CD2 3.99Å; T332-L334 HydrophobicContact CG2-CG 3.93Å; T332-L334 PolarHBondContact O-N 2.95Å; T332-C354 CarbonylContact O-C 3.44Å; T332-C354 WeakPolarHBondContact O-CA 3.43Å; T332-C354 VanDerWaalsContact O-CB 3.26Å; T332-C354 WeakPolarHBondContact O-CB 3.33Å; T332-C354 PolarHBondContact O-SG 3.36Å
333	S	91.8	Very high	93.2	Very high	110 Å²	110	46.2 Å²	46.2	77%	0.769	24%	0.235	S	C	*	.			trans	-68.1	84.4	-174.7	-63.1	0	0	0	0	113.1	C354	S333-C354 CarbonylContact C-O 3.57Å; S333-C354 WeakPolarHBondContact CA-O 3.47Å
334	L	90.2	Very high	93.2	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.063	23%	0.231	C	C	.	.			trans	-108.1	111.7	172.9	-52.1	172.4	0	0	0	110.2	Y316 I329 T332 H336 M337 F351 C354 A355 L356	Y316-L334 HydrophobicContact CD1-CD2 4.18Å; Y316-L334 HydrophobicContact CE1-CB 4.47Å; Y316-L334 HydrophobicContact CE1-CD2 3.56Å; I329-L334 HydrophobicContact CB-CD1 4.25Å; I329-L334 HydrophobicContact CG2-CD1 3.82Å; T332-L334 VanDerWaalsContact C-N 3.34Å; T332-L334 HydrophobicContact CG2-CD1 4.44Å; T332-L334 HydrophobicContact CG2-CD2 3.99Å; T332-L334 HydrophobicContact CG2-CG 3.93Å; T332-L334 PolarHBondContact O-N 2.95Å; L334-H336 VanDerWaalsContact C-N 3.32Å; L334-H336 PolarHBondContact O-N 3.46Å; L334-M337 HydrophobicContact CD1-CE 3.83Å; L334-F351 HydrophobicContact CD1-CD1 4.3Å; L334-C354 CarbonylContact C-O 3.56Å; L334-C354 WeakPolarHBondContact CA-O 3.22Å; L334-C354 HydrophobicContact CB-CB 4.17Å; L334-C354 HydrophobicContact CD1-CB 4.41Å; L334-C354 HydrophobicContact CG-CB 4.45Å; L334-C354 PolarHBondContact N-O 2.9Å; L334-C354 CarbonylContact O-C 3.5Å; L334-A355 CarbonylContact O-C 3.57Å; L334-L356 HydrophobicContact CB-CD2 4.14Å; L334-L356 WeakPolarHBondContact O-CA 3.39Å; L334-L356 VanDerWaalsContact O-CD2 3.22Å; L334-L356 WeakPolarHBondContact O-CD2 3.39Å; L334-L356 WeakPolarHBondContact O-CG 3.48Å; L334-L356 PolarHBondContact O-N 3.26Å; L334-L356 VanDerWaalsContact O-N 3.16Å
335	I	88.9	Confident	93.1	Very high	90 Å²	90	48.4 Å²	48.4	46%	0.462	25%	0.25	S	C	.	.	S	Bend	trans	-79.2	-16.1	-178.9	60.6	173.2	0	0	0	113.9	S357	I335-S357 PolarHBondContact O-N 2.83Å; I335-S357 PolarHBondContact O-OG 2.73Å
336	H	89.1	Confident	93.1	Very high	33 Å²	33	44 Å²	44	15%	0.153	23%	0.229	C	C	.	.			trans	-153.7	159.5	-175.4	175.6	74.5	0	0	0	110.5	Y316 L334 S359	Y316-H336 WeakPolarHBondContact CD2-O 3.29Å; Y316-H336 HydrophobicContact CE2-CB 4.02Å; Y316-H336 WeakPolarHBondContact CE2-O 3.28Å; L334-H336 VanDerWaalsContact C-N 3.32Å; L334-H336 PolarHBondContact O-N 3.46Å; H336-S359 PolarHBondContact CE1-O 2.56Å; H336-S359 WeakPolarHBondContact ND1-CB 3.33Å; H336-S359 PolarHBondContact ND1-O 3.32Å; H336-S359 VanDerWaalsContact ND1-O 3.11Å; H336-S359 PolarHBondContact ND1-OG 2.8Å
337	M	91.9	Very high	93.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.229	C	C	.	.			trans	-139.3	132.4	171.7	-174.5	56.5	60.3	0	0	109.5	Y316 I320 L334 F351 L356 I360 F361	Y316-M337 HydrophobicContact CD1-CE 4.48Å; Y316-M337 HydrophobicContact CG-SD 4.46Å; I320-M337 HydrophobicContact CB-SD 4.04Å; I320-M337 HydrophobicContact CD1-CG 4Å; I320-M337 HydrophobicContact CD1-SD 4.06Å; I320-M337 HydrophobicContact CG1-CG 4.46Å; I320-M337 HydrophobicContact CG1-SD 4.31Å; L334-M337 HydrophobicContact CD1-CE 3.83Å; M337-F351 HydrophobicContact CE-CD1 3.95Å; M337-F351 HydrophobicContact CE-CE1 3.41Å; M337-F351 VanDerWaalsContact CE-CE1 3.41Å; M337-F351 HydrophobicContact CE-CE2 4.37Å; M337-F351 HydrophobicContact CE-CZ 3.65Å; M337-F351 HydrophobicContact CG-CE2 4.07Å; M337-F351 HydrophobicContact CG-CZ 4.09Å; M337-F351 HydrophobicContact SD-CE1 4.4Å; M337-F351 HydrophobicContact SD-CZ 4.06Å; M337-L356 HydrophobicContact CB-CD2 4.16Å; M337-I360 HydrophobicContact CB-CG2 4.48Å; M337-F361 HydrophobicContact CB-CE1 4.24Å; M337-F361 HydrophobicContact CG-CD1 4.23Å; M337-F361 HydrophobicContact CG-CE1 3.77Å; M337-F361 PolarHBondContact O-N 3.11Å
338	T	91.6	Very high	93.1	Very high	10 Å²	10	47 Å²	47	6%	0.061	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-79.8	164.5	-175.7	57.3	0	0	0	0	112	E313 Y316 N317	E313-T338 HydrophobicContact CG-CG2 3.93Å; Y316-T338 HydrophobicContact CD2-CG2 4.27Å; N317-T338 PolarHBondContact OD1-OG1 2.77Å
339	C	91.6	Very high	93.1	Very high	11 Å²	11	46.4 Å²	46.4	7%	0.074	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-86	132.1	168.4	-179.4	0	0	0	0	110.4	C372 T374	C339-C372 VanDerWaalsContact CA-SG 3.56Å; C339-C372 HydrophobicContact CB-CB 3.65Å; C339-C372 WeakPolarHBondContact CB-SG 3.42Å; C339-C372 WeakPolarHBondContact SG-CA 3.3Å; C339-C372 WeakPolarHBondContact SG-CB 3.49Å; C339-C372 CovalentContact SG-SG 2.05Å; C339-C372 PolarHBondContact SG-SG 3.15Å; C339-T374 PolarHBondContact SG-OG1 3.17Å
340	P	91.4	Very high	93.2	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.026	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-52.5	143.6	175	-28.1	34.8	0	0	0	113.2	I320 N321 K342 T374 L375	I320-P340 HydrophobicContact CG1-CG 3.74Å; I320-P340 HydrophobicContact CG2-CG 4.2Å; N321-P340 WeakPolarHBondContact OD1-CA 3.26Å; N321-P340 WeakPolarHBondContact OD1-CB 3.06Å; P340-K342 WeakPolarHBondContact CB-O 3.22Å; P340-T374 WeakPolarHBondContact O-CB 3.29Å; P340-T374 WeakPolarHBondContact O-CG2 3.11Å; P340-T374 PolarHBondContact O-OG1 2.99Å; P340-L375 HydrophobicContact CG-CD2 3.65Å; P340-L375 HydrophobicContact CG-CG 3.95Å
341	K	82.4	Confident	93.2	Very high	129 Å²	129	47.4 Å²	47.4	56%	0.561	24%	0.243	S	C	*	.	S	Bend	trans	-76.5	-25.5	-178.5	-64	-174.9	-177.5	-175.8	0	112.8	D286 N321	D286-K341 IonicContact OD2-NZ 3.49Å; D286-K341 PolarHBondContact OD2-NZ 2.99Å; N321-K341 PolarHBondContact OD1-N 3.48Å
342	K	89.2	Confident	93.3	Very high	144 Å²	144	43.3 Å²	43.3	63%	0.626	23%	0.225	S	C	*	.	S	Bend	trans	-124.8	164.3	177.3	-63.6	-179.2	-177.9	176.8	0	108.7	E291 P340 S344 T374	E291-K342 IonicContact OE1-NZ 3Å; P340-K342 WeakPolarHBondContact CB-O 3.22Å; K342-S344 PolarHBondContact O-N 3.5Å; K342-S344 VanDerWaalsContact O-N 3.16Å; K342-T374 WeakPolarHBondContact O-CB 3.39Å
343	Q	92.6	Very high	93.4	Very high	104 Å²	104	47.9 Å²	47.9	49%	0.486	25%	0.245	S	C	.	.			trans	-54.8	122.2	174.1	-174.2	65	24	0	0	110	T374 N377	Q343-T374 PolarHBondContact NE2-O 2.96Å; Q343-T374 PolarHBondContact OE1-O 2.95Å; Q343-N377 PolarHBondContact NE2-ND2 3.16Å
344	S	93.6	Very high	93.6	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.035	21%	0.208	C	C	.	.			trans	-81.7	139.3	-177.5	-177.9	0	0	0	0	111.1	K342 I346 T374 N377	K342-S344 PolarHBondContact O-N 3.5Å; K342-S344 VanDerWaalsContact O-N 3.16Å; S344-I346 PolarHBondContact O-N 2.87Å; S344-I346 WeakPolarHBondContact OG-CB 3.42Å; S344-I346 VanDerWaalsContact OG-CD1 3.31Å; S344-I346 WeakPolarHBondContact OG-CD1 3.31Å; S344-I346 WeakPolarHBondContact OG-CG1 3.43Å; S344-I346 PolarHBondContact OG-N 3.05Å; S344-T374 PolarHBondContact N-O 2.89Å; S344-N377 PolarHBondContact O-ND2 2.54Å
345	P	94.4	Very high	93.9	Very high	62 Å²	62	43.5 Å²	43.5	40%	0.403	22%	0.217	S	C	.	.			trans	-75.6	-9	170.5	32	-33.3	0	0	0	112.8	L347	P345-L347 PolarHBondContact O-N 2.96Å
346	I	96.6	Very high	94.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.			trans	-62.6	130.2	-172.6	-60.4	167	0	0	0	111.3	V324 C327 S344 E348 L349 N377 V378	V324-I346 WeakPolarHBondContact O-CA 3.47Å; V324-I346 VanDerWaalsContact O-CG1 3.25Å; V324-I346 WeakPolarHBondContact O-CG1 3.16Å; V324-I346 PolarHBondContact O-N 3.44Å; C327-I346 HydrophobicContact CB-CD1 4.07Å; S344-I346 PolarHBondContact O-N 2.87Å; S344-I346 WeakPolarHBondContact OG-CB 3.42Å; S344-I346 VanDerWaalsContact OG-CD1 3.31Å; S344-I346 WeakPolarHBondContact OG-CD1 3.31Å; S344-I346 WeakPolarHBondContact OG-CG1 3.43Å; S344-I346 PolarHBondContact OG-N 3.05Å; I346-E348 WeakPolarHBondContact CG2-O 3.16Å; I346-L349 HydrophobicContact CD1-CD2 3.95Å; I346-L349 HydrophobicContact CG2-CD2 3.68Å; I346-L349 HydrophobicContact CG2-CG 3.64Å; I346-N377 CarbonylContact O-C 3.55Å; I346-V378 PolarHBondContact O-N 2.92Å
347	L	97.8	Very high	94.4	Very high	47 Å²	47	39.7 Å²	39.7	25%	0.246	20%	0.202	C	C	.	.	S	Bend	trans	-101.7	-34.1	174.5	-57	-177.7	0	0	0	111.2	E325 P345 N377 Q379 N380	E325-L347 HydrophobicContact CB-CD1 4.27Å; E325-L347 HydrophobicContact CB-CG 4.32Å; E325-L347 HydrophobicContact CG-CD1 4.3Å; E325-L347 PolarHBondContact O-N 2.92Å; P345-L347 PolarHBondContact O-N 2.96Å; L347-N377 HydrophobicContact CD2-CB 4.25Å; L347-Q379 PolarHBondContact O-N 3.5Å; L347-N380 PolarHBondContact O-N 3.1Å
348	E	98.3	Very high	94.4	Very high	73 Å²	73	41.3 Å²	41.3	34%	0.341	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128	-179.7	-53.5	-165.5	158.7	0	0	112	E325 H326 C327 I346 N380	E325-E348 PolarHBondContact O-N 3.41Å; H326-E348 IonicContact CE1-OE1 2.54Å; H326-E348 IonicContact CE1-OE2 3.54Å; H326-E348 PolarHBondContact CE1-OE2 3.13Å; H326-E348 VanDerWaalsContact CE1-OE2 3.26Å; H326-E348 IonicContact CG-OE2 3.72Å; H326-E348 VanDerWaalsContact ND1-CG 3.33Å; H326-E348 WeakPolarHBondContact ND1-CG 3.4Å; H326-E348 IonicContact ND1-OE1 3.71Å; H326-E348 IonicContact ND1-OE2 2.91Å; H326-E348 PolarHBondContact ND1-OE2 3.35Å; C327-E348 PolarHBondContact N-O 2.86Å; I346-E348 WeakPolarHBondContact CG2-O 3.16Å; E348-N380 WeakPolarHBondContact CA-O 3.25Å; E348-N380 HydrophobicContact CB-CB 4.28Å; E348-N380 HydrophobicContact CG-CB 3.95Å; E348-N380 PolarHBondContact OE1-ND2 2.94Å
349	L	97.9	Very high	94.2	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.9	176.4	-77.9	176.5	0	0	0	110.6	I320 C327 I346 F351 F361 L375 V378 N380 L381 S382	I320-L349 HydrophobicContact CD1-CD1 4.35Å; I320-L349 HydrophobicContact CD1-CD2 4.01Å; C327-L349 HydrophobicContact CB-CD2 4.05Å; C327-L349 WeakPolarHBondContact O-CA 3.3Å; I346-L349 HydrophobicContact CD1-CD2 3.95Å; I346-L349 HydrophobicContact CG2-CD2 3.68Å; I346-L349 HydrophobicContact CG2-CG 3.64Å; L349-F351 HydrophobicContact CB-CE2 4.38Å; L349-F351 HydrophobicContact CD1-CE2 4.46Å; L349-F351 HydrophobicContact CD2-CE2 3.88Å; L349-F351 HydrophobicContact CD2-CZ 4.14Å; L349-F351 HydrophobicContact CG-CE2 4.49Å; L349-F361 HydrophobicContact CD1-CE1 4.4Å; L349-F361 HydrophobicContact CD1-CZ 4.37Å; L349-L375 HydrophobicContact CD1-CD1 4.11Å; L349-L375 HydrophobicContact CD1-CD2 3.99Å; L349-V378 HydrophobicContact CD1-CG1 4.49Å; L349-V378 HydrophobicContact CD1-CG2 3.87Å; L349-V378 HydrophobicContact CG-CG2 4.3Å; L349-N380 PolarHBondContact N-O 2.98Å; L349-L381 HydrophobicContact CB-CD1 3.7Å; L349-L381 HydrophobicContact CD1-CD1 4.42Å; L349-L381 WeakPolarHBondContact O-CA 3.46Å; L349-S382 PolarHBondContact O-N 3.29Å
350	D	98.4	Very high	94.2	Very high	51 Å²	51	42 Å²	42	27%	0.273	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.9	172.9	-169.9	-8.6	0	0	0	110.8	C327 A328 I329 V330 S352 S382	C327-D350 PolarHBondContact O-N 3.18Å; A328-D350 CarbonylContact C-O 3.56Å; A328-D350 WeakPolarHBondContact CA-O 3.13Å; A328-D350 HydrophobicContact CB-CB 3.89Å; I329-D350 PolarHBondContact N-O 3.35Å; V330-D350 HydrophobicContact CG1-CB 4.46Å; D350-S352 VanDerWaalsContact OD1-CB 3.22Å; D350-S352 WeakPolarHBondContact OD1-CB 3.48Å; D350-S352 PolarHBondContact OD1-N 3Å; D350-S352 PolarHBondContact OD1-OG 2.92Å; D350-S382 PolarHBondContact OD1-OG 3.39Å
351	F	97.7	Very high	94.2	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	21%	0.214	C	C	.	.			trans	-123.5	46.5	171.1	-60.8	-69.8	0	0	0	111.9	I320 I329 L334 M337 L349 L356 F361 S382 L383 N386	I320-F351 HydrophobicContact CD1-CE2 3.98Å; I320-F351 HydrophobicContact CD1-CZ 3.79Å; I329-F351 HydrophobicContact CB-CD1 3.91Å; I329-F351 HydrophobicContact CB-CE1 3.89Å; I329-F351 HydrophobicContact CD1-CE1 4.07Å; I329-F351 HydrophobicContact CG1-CE1 3.99Å; I329-F351 WeakPolarHBondContact O-CA 3.5Å; L334-F351 HydrophobicContact CD1-CD1 4.3Å; M337-F351 HydrophobicContact CE-CD1 3.95Å; M337-F351 HydrophobicContact CE-CE1 3.41Å; M337-F351 VanDerWaalsContact CE-CE1 3.41Å; M337-F351 HydrophobicContact CE-CE2 4.37Å; M337-F351 HydrophobicContact CE-CZ 3.65Å; M337-F351 HydrophobicContact CG-CE2 4.07Å; M337-F351 HydrophobicContact CG-CZ 4.09Å; M337-F351 HydrophobicContact SD-CE1 4.4Å; M337-F351 HydrophobicContact SD-CZ 4.06Å; L349-F351 HydrophobicContact CB-CE2 4.38Å; L349-F351 HydrophobicContact CD1-CE2 4.46Å; L349-F351 HydrophobicContact CD2-CE2 3.88Å; L349-F351 HydrophobicContact CD2-CZ 4.14Å; L349-F351 HydrophobicContact CG-CE2 4.49Å; F351-L356 HydrophobicContact CB-CD1 3.47Å; F351-L356 VanDerWaalsContact CB-CD1 3.47Å; F351-L356 HydrophobicContact CG-CD1 4.18Å; F351-F361 HydrophobicContact CD2-CZ 4.2Å; F351-F361 HydrophobicContact CE2-CE1 4.19Å; F351-F361 HydrophobicContact CE2-CZ 4.17Å; F351-S382 PolarHBondContact N-O 2.76Å; F351-L383 HydrophobicContact CB-CD2 3.98Å; F351-L383 HydrophobicContact CD2-CD2 4.29Å; F351-N386 PolarHBondContact O-ND2 2.9Å
352	S	98.1	Very high	94.2	Very high	10 Å²	10	35.8 Å²	35.8	7%	0.07	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	137.7	179.5	-59.6	0	0	0	0	112.5	V330 E331 D350 C354 S382 V384	V330-S352 CarbonylContact C-O 3.49Å; V330-S352 VanDerWaalsContact CA-O 3.27Å; V330-S352 WeakPolarHBondContact CA-O 3.37Å; E331-S352 PolarHBondContact N-O 3.46Å; D350-S352 VanDerWaalsContact OD1-CB 3.22Å; D350-S352 WeakPolarHBondContact OD1-CB 3.48Å; D350-S352 PolarHBondContact OD1-N 3Å; D350-S352 PolarHBondContact OD1-OG 2.92Å; S352-C354 VanDerWaalsContact C-N 3.31Å; S352-C354 PolarHBondContact O-N 2.82Å; S352-C354 PolarHBondContact O-SG 3Å; S352-S382 PolarHBondContact OG-OG 3.16Å; S352-V384 CarbonylContact C-O 3.49Å; S352-V384 VanDerWaalsContact CA-O 3.28Å; S352-V384 WeakPolarHBondContact CA-O 3.46Å
353	F	97.6	Very high	93.9	Very high	106 Å²	106	34.4 Å²	34.4	47%	0.465	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	39	177.2	-54.4	-77.2	0	0	0	113.9	E331 V384 G385 I411	E331-F353 WeakPolarHBondContact CA-O 3.47Å; E331-F353 HydrophobicContact CG-CB 4.33Å; F353-V384 HydrophobicContact CE1-CG1 4.49Å; F353-V384 HydrophobicContact CE2-CG1 4.16Å; F353-V384 HydrophobicContact CZ-CG1 3.87Å; F353-V384 PolarHBondContact N-O 3.2Å; F353-G385 WeakPolarHBondContact CA-O 3.11Å; F353-I411 HydrophobicContact CZ-CD1 4.37Å
354	C	96.4	Very high	93.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-100.6	-5.1	-176.2	-75.4	0	0	0	0	115.1	I329 T332 S333 L334 S352 L356 N386	I329-C354 PolarHBondContact O-SG 3.45Å; T332-C354 CarbonylContact O-C 3.44Å; T332-C354 WeakPolarHBondContact O-CA 3.43Å; T332-C354 VanDerWaalsContact O-CB 3.26Å; T332-C354 WeakPolarHBondContact O-CB 3.33Å; T332-C354 PolarHBondContact O-SG 3.36Å; S333-C354 CarbonylContact C-O 3.57Å; S333-C354 WeakPolarHBondContact CA-O 3.47Å; L334-C354 CarbonylContact C-O 3.56Å; L334-C354 WeakPolarHBondContact CA-O 3.22Å; L334-C354 HydrophobicContact CB-CB 4.17Å; L334-C354 HydrophobicContact CD1-CB 4.41Å; L334-C354 HydrophobicContact CG-CB 4.45Å; L334-C354 PolarHBondContact N-O 2.9Å; L334-C354 CarbonylContact O-C 3.5Å; S352-C354 VanDerWaalsContact C-N 3.31Å; S352-C354 PolarHBondContact O-N 2.82Å; S352-C354 PolarHBondContact O-SG 3Å; C354-L356 VanDerWaalsContact C-N 3.28Å; C354-L356 HydrophobicContact CB-CD1 4.32Å; C354-L356 HydrophobicContact CB-CG 4.01Å; C354-L356 PolarHBondContact O-N 2.97Å; C354-N386 WeakPolarHBondContact CA-OD1 3.31Å; C354-N386 PolarHBondContact N-OD1 3.38Å; C354-N386 VanDerWaalsContact N-OD1 3.08Å
355	A	95.8	Very high	92.6	Very high	30 Å²	30	41 Å²	41	25%	0.248	21%	0.207	C	C	.	.			trans	66.3	22.9	-173.6	0	0	0	0	0	115	L334 N386 N387	L334-A355 CarbonylContact O-C 3.57Å; A355-N386 PolarHBondContact N-OD1 2.85Å; A355-N387 PolarHBondContact O-ND2 2.94Å
356	L	95.6	Very high	92	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.			trans	-60.5	143.5	179.3	-68.8	168.7	0	0	0	112.6	L334 M337 F351 C354 I360 L383 N386 N387 L388	L334-L356 HydrophobicContact CB-CD2 4.14Å; L334-L356 WeakPolarHBondContact O-CA 3.39Å; L334-L356 VanDerWaalsContact O-CD2 3.22Å; L334-L356 WeakPolarHBondContact O-CD2 3.39Å; L334-L356 WeakPolarHBondContact O-CG 3.48Å; L334-L356 PolarHBondContact O-N 3.26Å; L334-L356 VanDerWaalsContact O-N 3.16Å; M337-L356 HydrophobicContact CB-CD2 4.16Å; F351-L356 HydrophobicContact CB-CD1 3.47Å; F351-L356 VanDerWaalsContact CB-CD1 3.47Å; F351-L356 HydrophobicContact CG-CD1 4.18Å; C354-L356 VanDerWaalsContact C-N 3.28Å; C354-L356 HydrophobicContact CB-CD1 4.32Å; C354-L356 HydrophobicContact CB-CG 4.01Å; C354-L356 PolarHBondContact O-N 2.97Å; L356-I360 HydrophobicContact CB-CG2 3.94Å; L356-I360 HydrophobicContact CD1-CG2 4.11Å; L356-I360 HydrophobicContact CD2-CG2 3.89Å; L356-I360 HydrophobicContact CG-CG2 4.22Å; L356-L383 HydrophobicContact CD1-CD2 3.86Å; L356-N386 HydrophobicContact CB-CB 4.12Å; L356-N386 WeakPolarHBondContact CB-OD1 3.33Å; L356-N386 PolarHBondContact N-OD1 2.85Å; L356-N387 CarbonylContact O-C 3.57Å; L356-N387 VanDerWaalsContact O-CA 3.25Å; L356-N387 WeakPolarHBondContact O-CA 3.29Å; L356-N387 WeakPolarHBondContact O-CB 3.24Å; L356-N387 PolarHBondContact O-N 2.9Å; L356-L388 PolarHBondContact O-N 2.72Å
357	S	93.9	Very high	91.3	Very high	42 Å²	42	51.3 Å²	51.3	29%	0.294	27%	0.271	S	S	.	.			trans	-103.9	173.8	176	64.8	0	0	0	0	112.9	I335 S359 I360 L388	I335-S357 PolarHBondContact O-N 2.83Å; I335-S357 PolarHBondContact O-OG 2.73Å; S357-S359 PolarHBondContact O-N 2.86Å; S357-S359 PolarHBondContact OG-OG 2.88Å; S357-I360 WeakPolarHBondContact O-CG2 3.25Å; S357-I360 PolarHBondContact O-N 3.4Å; S357-L388 WeakPolarHBondContact O-CD2 3.23Å
358	D	91.4	Very high	90.8	Very high	35 Å²	35	56.8 Å²	56.8	19%	0.187	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-3.6	179	-58.3	-18.5	0	0	0	115	I360 L388 K389 N390 V393 R397	D358-I360 VanDerWaalsContact C-N 3.3Å; D358-L388 WeakPolarHBondContact OD1-CA 3.34Å; D358-K389 PolarHBondContact OD1-N 3.41Å; D358-N390 PolarHBondContact OD1-N 3.06Å; D358-N390 VanDerWaalsContact OD2-CB 3.31Å; D358-N390 WeakPolarHBondContact OD2-CB 3.2Å; D358-N390 PolarHBondContact OD2-N 3.19Å; D358-V393 HydrophobicContact CB-CB 4.44Å; D358-V393 HydrophobicContact CB-CG1 4Å; D358-R397 PolarHBondContact O-NE 3.46Å
359	S	86.8	Confident	90	Very high	34 Å²	34	56.1 Å²	56.1	24%	0.238	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.8	179.1	63.8	0	0	0	0	114	H336 S357 S362	H336-S359 PolarHBondContact CE1-O 2.56Å; H336-S359 WeakPolarHBondContact ND1-CB 3.33Å; H336-S359 PolarHBondContact ND1-O 3.32Å; H336-S359 VanDerWaalsContact ND1-O 3.11Å; H336-S359 PolarHBondContact ND1-OG 2.8Å; S357-S359 PolarHBondContact O-N 2.86Å; S357-S359 PolarHBondContact OG-OG 2.88Å; S359-S362 PolarHBondContact O-OG 3.24Å
360	I	91.8	Very high	89.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	149.3	-178.5	53	169.3	0	0	0	114.4	M337 L356 S357 D358 S362 L383 L388 R397	M337-I360 HydrophobicContact CB-CG2 4.48Å; L356-I360 HydrophobicContact CB-CG2 3.94Å; L356-I360 HydrophobicContact CD1-CG2 4.11Å; L356-I360 HydrophobicContact CD2-CG2 3.89Å; L356-I360 HydrophobicContact CG-CG2 4.22Å; S357-I360 WeakPolarHBondContact O-CG2 3.25Å; S357-I360 PolarHBondContact O-N 3.4Å; D358-I360 VanDerWaalsContact C-N 3.3Å; I360-S362 PolarHBondContact O-N 2.92Å; I360-S362 VanDerWaalsContact O-N 3.16Å; I360-L383 HydrophobicContact CD1-CD1 3.5Å; I360-L383 VanDerWaalsContact CD1-CD1 3.5Å; I360-L388 HydrophobicContact CD1-CD2 4.22Å; I360-R397 HydrophobicContact CG1-CG 4.41Å; I360-R397 WeakPolarHBondContact O-CD 3.38Å; I360-R397 WeakPolarHBondContact O-CG 3.17Å
361	F	90.9	Very high	89.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	44.9	172.1	-48.2	-52.3	0	0	0	112.8	I320 M337 L349 F351 C372 L375 L381 L383 L398 M401	I320-F361 HydrophobicContact CD1-CE1 4.38Å; M337-F361 HydrophobicContact CB-CE1 4.24Å; M337-F361 HydrophobicContact CG-CD1 4.23Å; M337-F361 HydrophobicContact CG-CE1 3.77Å; M337-F361 PolarHBondContact O-N 3.11Å; L349-F361 HydrophobicContact CD1-CE1 4.4Å; L349-F361 HydrophobicContact CD1-CZ 4.37Å; F351-F361 HydrophobicContact CD2-CZ 4.2Å; F351-F361 HydrophobicContact CE2-CE1 4.19Å; F351-F361 HydrophobicContact CE2-CZ 4.17Å; F361-C372 HydrophobicContact CB-CB 3.95Å; F361-C372 WeakPolarHBondContact O-CB 3.47Å; F361-C372 PolarHBondContact O-N 3.13Å; F361-L375 HydrophobicContact CD1-CD1 3.58Å; F361-L375 HydrophobicContact CE1-CD1 3.9Å; F361-L375 HydrophobicContact CG-CD1 4.08Å; F361-L381 HydrophobicContact CE2-CD1 4.11Å; F361-L381 HydrophobicContact CE2-CD2 4.02Å; F361-L381 HydrophobicContact CZ-CD1 4.05Å; F361-L383 HydrophobicContact CE2-CD1 4.39Å; F361-L383 HydrophobicContact CE2-CD2 4.49Å; F361-L398 HydrophobicContact CD2-CD2 3.65Å; F361-L398 HydrophobicContact CE2-CD2 4.03Å; F361-M401 HydrophobicContact CB-CE 4.4Å; F361-M401 HydrophobicContact CD2-CE 3.67Å; F361-M401 HydrophobicContact CE2-CE 4.03Å; F361-M401 HydrophobicContact CG-CE 4Å
362	S	83.6	Confident	88.9	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.3	173.9	68.9	0	0	0	0	109.8	S359 I360	S359-S362 PolarHBondContact O-OG 3.24Å; I360-S362 PolarHBondContact O-N 2.92Å; I360-S362 VanDerWaalsContact O-N 3.16Å
363	R	81.5	Confident	88.7	Confident	116 Å²	116	61.7 Å²	61.7	44%	0.438	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.1	171.8	65.2	-173.9	-178.8	138.4	13.7	109.5	E365 V370	R363-E365 IonicContact CZ-OE1 3.63Å; R363-E365 IonicContact NE-OE1 3.79Å; R363-E365 IonicContact NH1-OE1 3.98Å; R363-E365 PolarHBondContact NH1-OE1 2.95Å; R363-E365 IonicContact NH2-OE1 2.73Å; R363-E365 PolarHBondContact NH2-OE1 3.07Å; R363-E365 IonicContact NH2-OE2 3.26Å; R363-V370 HydrophobicContact CG-CB 3.76Å; R363-V370 HydrophobicContact CG-CG1 4.36Å; R363-V370 PolarHBondContact N-O 3.28Å; R363-V370 PolarHBondContact O-N 3.19Å
364	F	79.4	Confident	88.5	Confident	143 Å²	143	57.9 Å²	57.9	63%	0.627	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.3	174.9	-68.8	-82.6	0	0	0	109.4	T369	F364-T369 HydrophobicContact CE1-CG2 4.48Å; F364-T369 WeakPolarHBondContact CE1-OG1 3.4Å
365	E	79.7	Confident	88.5	Confident	103 Å²	103	57.9 Å²	57.9	48%	0.481	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	96.6	169.8	-72.7	-171.5	167.4	0	0	108.7	R363 Q367 K368 V370	R363-E365 IonicContact CZ-OE1 3.63Å; R363-E365 IonicContact NE-OE1 3.79Å; R363-E365 IonicContact NH1-OE1 3.98Å; R363-E365 PolarHBondContact NH1-OE1 2.95Å; R363-E365 IonicContact NH2-OE1 2.73Å; R363-E365 PolarHBondContact NH2-OE1 3.07Å; R363-E365 IonicContact NH2-OE2 3.26Å; E365-Q367 PolarHBondContact O-N 3.22Å; E365-K368 PolarHBondContact N-O 2.83Å; E365-K368 PolarHBondContact O-N 2.83Å; E365-K368 VanDerWaalsContact O-N 3.1Å; E365-V370 HydrophobicContact CB-CG2 4.03Å; E365-V370 HydrophobicContact CG-CG2 4.02Å
366	G	82.8	Confident	88.5	Confident	77 Å²	77	56.9 Å²	56.9	79%	0.794	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	-113.9	-172.1	0	0	0	0	0	111.4
367	Q	82.7	Confident	88.5	Confident	202 Å²	202	59.9 Å²	59.9	94%	0.944	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	2.6	176.2	-68.8	-177.9	-16.1	0	0	113.4	E365	E365-Q367 PolarHBondContact O-N 3.22Å
368	K	85.4	Confident	88.7	Confident	163 Å²	163	57.9 Å²	57.9	71%	0.709	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.3	-178.4	-67.9	-176.8	179.7	179	0	110.4	E365	E365-K368 PolarHBondContact N-O 2.83Å; E365-K368 PolarHBondContact O-N 2.83Å; E365-K368 VanDerWaalsContact O-N 3.1Å
369	T	83.1	Confident	89	Confident	58 Å²	58	59.7 Å²	59.7	36%	0.356	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.1	166.9	-47.7	0	0	0	0	108.9	F364	F364-T369 HydrophobicContact CE1-CG2 4.48Å; F364-T369 WeakPolarHBondContact CE1-OG1 3.4Å
370	V	87.8	Confident	89.6	Confident	34 Å²	34	60.2 Å²	60.2	21%	0.206	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.7	177.5	-177.1	0	0	0	0	108.3	R363 E365	R363-V370 HydrophobicContact CG-CB 3.76Å; R363-V370 HydrophobicContact CG-CG1 4.36Å; R363-V370 PolarHBondContact N-O 3.28Å; R363-V370 PolarHBondContact O-N 3.19Å; E365-V370 HydrophobicContact CB-CG2 4.03Å; E365-V370 HydrophobicContact CG-CG2 4.02Å
371	E	90.8	Very high	89.9	Confident	30 Å²	30	60.5 Å²	60.5	14%	0.14	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	154.7	179.4	-49.6	-53.4	159	0	0	111.6	E373 R397 Y400	E371-E373 PolarHBondContact O-N 3.36Å; E371-R397 IonicContact OE1-CZ 2.76Å; E371-R397 IonicContact OE1-NH1 3.81Å; E371-R397 PolarHBondContact OE1-NH1 2.9Å; E371-R397 WeakPolarHBondContact OE2-CA 3.26Å; E371-R397 WeakPolarHBondContact OE2-CD 3.43Å; E371-R397 IonicContact OE2-CZ 3.61Å; E371-R397 IonicContact OE2-NE 2.81Å; E371-R397 IonicContact OE2-NH1 2.71Å; E371-R397 PolarHBondContact OE2-NH1 3.23Å; E371-Y400 HydrophobicContact CB-CD2 3.83Å; E371-Y400 HydrophobicContact CB-CE2 3.83Å; E371-Y400 HydrophobicContact CG-CE2 4.46Å
372	C	92.1	Very high	90.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.316	C	S	.	.			trans	-79.7	114	-171.9	-162.9	0	0	0	0	113.3	C339 F361 T374 Y400	C339-C372 VanDerWaalsContact CA-SG 3.56Å; C339-C372 HydrophobicContact CB-CB 3.65Å; C339-C372 WeakPolarHBondContact CB-SG 3.42Å; C339-C372 WeakPolarHBondContact SG-CA 3.3Å; C339-C372 WeakPolarHBondContact SG-CB 3.49Å; C339-C372 CovalentContact SG-SG 2.05Å; C339-C372 PolarHBondContact SG-SG 3.15Å; F361-C372 HydrophobicContact CB-CB 3.95Å; F361-C372 WeakPolarHBondContact O-CB 3.47Å; F361-C372 PolarHBondContact O-N 3.13Å; C372-T374 PolarHBondContact SG-OG1 3.41Å; C372-T374 VanDerWaalsContact SG-OG1 3.35Å; C372-Y400 WeakPolarHBondContact O-CB 3.48Å
373	E	92.9	Very high	90.9	Very high	120 Å²	120	61.5 Å²	61.5	56%	0.561	32%	0.315	S	S	*	.			trans	-95.1	-16.7	175.4	-63.7	-177	-177.4	0	0	113.1	E371 L375 Y400	E371-E373 PolarHBondContact O-N 3.36Å; E373-L375 PolarHBondContact O-N 2.83Å; E373-Y400 HydrophobicContact CG-CD1 4.43Å; E373-Y400 HydrophobicContact CG-CD2 3.7Å; E373-Y400 HydrophobicContact CG-CE2 4.18Å; E373-Y400 HydrophobicContact CG-CG 3.85Å
374	T	94.4	Very high	91.7	Very high	25 Å²	25	56.8 Å²	56.8	15%	0.153	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-8	-171.5	51.8	0	0	0	0	114.5	C339 P340 K342 Q343 S344 C372 G376	C339-T374 PolarHBondContact SG-OG1 3.17Å; P340-T374 WeakPolarHBondContact O-CB 3.29Å; P340-T374 WeakPolarHBondContact O-CG2 3.11Å; P340-T374 PolarHBondContact O-OG1 2.99Å; K342-T374 WeakPolarHBondContact O-CB 3.39Å; Q343-T374 PolarHBondContact NE2-O 2.96Å; Q343-T374 PolarHBondContact OE1-O 2.95Å; S344-T374 PolarHBondContact N-O 2.89Å; C372-T374 PolarHBondContact SG-OG1 3.41Å; C372-T374 VanDerWaalsContact SG-OG1 3.35Å; T374-G376 VanDerWaalsContact C-N 3.33Å
375	L	95.7	Very high	92.6	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	23.9	174	-69.9	174.1	0	0	0	112.6	P340 L349 F361 E373 N377 V378 M401	P340-L375 HydrophobicContact CG-CD2 3.65Å; P340-L375 HydrophobicContact CG-CG 3.95Å; L349-L375 HydrophobicContact CD1-CD1 4.11Å; L349-L375 HydrophobicContact CD1-CD2 3.99Å; F361-L375 HydrophobicContact CD1-CD1 3.58Å; F361-L375 HydrophobicContact CE1-CD1 3.9Å; F361-L375 HydrophobicContact CG-CD1 4.08Å; E373-L375 PolarHBondContact O-N 2.83Å; L375-N377 PolarHBondContact O-N 2.58Å; L375-N377 VanDerWaalsContact O-N 3.07Å; L375-V378 HydrophobicContact CB-CG2 4Å; L375-V378 HydrophobicContact CD2-CG2 4Å; L375-V378 WeakPolarHBondContact O-CG2 3.37Å; L375-V378 PolarHBondContact O-N 3.17Å; L375-M401 HydrophobicContact CB-CE 3.97Å; L375-M401 HydrophobicContact CB-CG 4.31Å; L375-M401 HydrophobicContact CD1-CE 3.68Å; L375-M401 HydrophobicContact CG-CE 4.48Å
376	G	95.3	Very high	93.4	Very high	9 Å²	9	46.2 Å²	46.2	9%	0.093	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18	-175.7	0	0	0	0	0	116.2	T374 S403	T374-G376 VanDerWaalsContact C-N 3.33Å; G376-S403 VanDerWaalsContact O-CB 3.27Å; G376-S403 WeakPolarHBondContact O-CB 3.22Å; G376-S403 PolarHBondContact O-N 2.87Å; G376-S403 PolarHBondContact O-OG 2.86Å
377	N	96.3	Very high	94	Very high	63 Å²	63	47 Å²	47	34%	0.337	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-16.5	-179	-66.9	-25.4	0	0	0	113.8	Q343 S344 I346 L347 L375 Q379	Q343-N377 PolarHBondContact NE2-ND2 3.16Å; S344-N377 PolarHBondContact O-ND2 2.54Å; I346-N377 CarbonylContact O-C 3.55Å; L347-N377 HydrophobicContact CD2-CB 4.25Å; L375-N377 PolarHBondContact O-N 2.58Å; L375-N377 VanDerWaalsContact O-N 3.07Å; N377-Q379 WeakPolarHBondContact O-CG 3.47Å; N377-Q379 PolarHBondContact O-N 3.49Å
378	V	97.8	Very high	94.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.			trans	-60.1	127.5	-176.9	178.2	0	0	0	0	109.7	I346 L349 L375 N380 L381 S403 L404	I346-V378 PolarHBondContact O-N 2.92Å; L349-V378 HydrophobicContact CD1-CG1 4.49Å; L349-V378 HydrophobicContact CD1-CG2 3.87Å; L349-V378 HydrophobicContact CG-CG2 4.3Å; L375-V378 HydrophobicContact CB-CG2 4Å; L375-V378 HydrophobicContact CD2-CG2 4Å; L375-V378 WeakPolarHBondContact O-CG2 3.37Å; L375-V378 PolarHBondContact O-N 3.17Å; V378-N380 WeakPolarHBondContact CG1-O 2.78Å; V378-L381 HydrophobicContact CG1-CB 4.32Å; V378-S403 CarbonylContact O-C 3.18Å; V378-L404 HydrophobicContact CG1-CD1 4.09Å; V378-L404 WeakPolarHBondContact O-CA 3.44Å; V378-L404 PolarHBondContact O-N 2.83Å
379	Q	98.1	Very high	95	Very high	72 Å²	72	36 Å²	36	34%	0.336	19%	0.192	S	C	.	.			trans	-105.4	-37.2	178.7	-56.7	-176	23.9	0	0	111.2	L347 N377 R405 H406	L347-Q379 PolarHBondContact O-N 3.5Å; N377-Q379 WeakPolarHBondContact O-CG 3.47Å; N377-Q379 PolarHBondContact O-N 3.49Å; Q379-R405 PolarHBondContact O-N 3.44Å; Q379-H406 PolarHBondContact O-N 3.26Å
380	N	98.6	Very high	95.4	Very high	46 Å²	46	35.9 Å²	35.9	25%	0.246	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.7	-179.2	-61.2	-12.1	0	0	0	109.7	L347 E348 L349 V378 H406	L347-N380 PolarHBondContact O-N 3.1Å; E348-N380 WeakPolarHBondContact CA-O 3.25Å; E348-N380 HydrophobicContact CB-CB 4.28Å; E348-N380 HydrophobicContact CG-CB 3.95Å; E348-N380 PolarHBondContact OE1-ND2 2.94Å; L349-N380 PolarHBondContact N-O 2.98Å; V378-N380 WeakPolarHBondContact CG1-O 2.78Å; N380-H406 WeakPolarHBondContact CA-O 3.32Å; N380-H406 HydrophobicContact CB-CB 4.48Å; N380-H406 WeakPolarHBondContact OD1-CB 3.25Å; N380-H406 PolarHBondContact OD1-CD2 3.04Å
381	L	98.5	Very high	95.6	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.5	175.9	177.2	61.2	0	0	0	110	L349 F361 V378 L383 L398 M401 L404 H406 L407 D408	L349-L381 HydrophobicContact CB-CD1 3.7Å; L349-L381 HydrophobicContact CD1-CD1 4.42Å; L349-L381 WeakPolarHBondContact O-CA 3.46Å; F361-L381 HydrophobicContact CE2-CD1 4.11Å; F361-L381 HydrophobicContact CE2-CD2 4.02Å; F361-L381 HydrophobicContact CZ-CD1 4.05Å; V378-L381 HydrophobicContact CG1-CB 4.32Å; L381-L383 HydrophobicContact CD1-CD2 4.08Å; L381-L383 HydrophobicContact CD1-CG 4.08Å; L381-L383 HydrophobicContact CD2-CD1 4.14Å; L381-L383 HydrophobicContact CD2-CG 4.48Å; L381-L383 HydrophobicContact CG-CD1 4.3Å; L381-L383 HydrophobicContact CG-CG 4.1Å; L381-L398 HydrophobicContact CD2-CD1 3.96Å; L381-L398 HydrophobicContact CD2-CD2 3.62Å; L381-L398 HydrophobicContact CD2-CG 4.45Å; L381-M401 HydrophobicContact CD2-CE 4.36Å; L381-M401 HydrophobicContact CD2-SD 4Å; L381-L404 HydrophobicContact CB-CD1 3.65Å; L381-H406 PolarHBondContact N-O 3.18Å; L381-L407 HydrophobicContact CB-CD1 4.14Å; L381-L407 HydrophobicContact CD2-CD1 3.93Å; L381-L407 HydrophobicContact CG-CD1 4.07Å; L381-L407 WeakPolarHBondContact O-CA 3.46Å; L381-D408 PolarHBondContact O-N 3.31Å
382	S	98.5	Very high	95.7	Very high	24 Å²	24	34.4 Å²	34.4	17%	0.168	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.6	174	-175.7	0	0	0	0	110.7	L349 D350 F351 S352 V384	L349-S382 PolarHBondContact O-N 3.29Å; D350-S382 PolarHBondContact OD1-OG 3.39Å; F351-S382 PolarHBondContact N-O 2.76Å; S352-S382 PolarHBondContact OG-OG 3.16Å; S382-V384 WeakPolarHBondContact OG-CG2 3.24Å
383	L	97.9	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.			trans	-130	36.6	175.6	-58.1	173.2	0	0	0	110.5	F351 L356 I360 F361 L381 N386 L388 D408 L409 N412	F351-L383 HydrophobicContact CB-CD2 3.98Å; F351-L383 HydrophobicContact CD2-CD2 4.29Å; L356-L383 HydrophobicContact CD1-CD2 3.86Å; I360-L383 HydrophobicContact CD1-CD1 3.5Å; I360-L383 VanDerWaalsContact CD1-CD1 3.5Å; F361-L383 HydrophobicContact CE2-CD1 4.39Å; F361-L383 HydrophobicContact CE2-CD2 4.49Å; L381-L383 HydrophobicContact CD1-CD2 4.08Å; L381-L383 HydrophobicContact CD1-CG 4.08Å; L381-L383 HydrophobicContact CD2-CD1 4.14Å; L381-L383 HydrophobicContact CD2-CG 4.48Å; L381-L383 HydrophobicContact CG-CD1 4.3Å; L381-L383 HydrophobicContact CG-CG 4.1Å; L383-N386 PolarHBondContact O-ND2 3.29Å; L383-L388 HydrophobicContact CB-CD1 4.16Å; L383-L388 HydrophobicContact CD1-CD1 4.15Å; L383-D408 PolarHBondContact N-O 3.16Å; L383-L409 HydrophobicContact CB-CD2 3.95Å; L383-L409 HydrophobicContact CD1-CD2 3.78Å; L383-L409 HydrophobicContact CG-CD2 4.32Å; L383-N412 PolarHBondContact O-ND2 2.82Å
384	V	98.3	Very high	95.7	Very high	17 Å²	17	30.4 Å²	30.4	10%	0.103	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	142.2	-177.9	-179.7	0	0	0	0	111	S352 F353 S382 N386 D408 S410 I411	S352-V384 CarbonylContact C-O 3.49Å; S352-V384 VanDerWaalsContact CA-O 3.28Å; S352-V384 WeakPolarHBondContact CA-O 3.46Å; F353-V384 HydrophobicContact CE1-CG1 4.49Å; F353-V384 HydrophobicContact CE2-CG1 4.16Å; F353-V384 HydrophobicContact CZ-CG1 3.87Å; F353-V384 PolarHBondContact N-O 3.2Å; S382-V384 WeakPolarHBondContact OG-CG2 3.24Å; V384-N386 PolarHBondContact O-N 3.04Å; V384-N386 PolarHBondContact O-ND2 2.7Å; V384-D408 HydrophobicContact CG2-CB 4.03Å; V384-D408 VanDerWaalsContact CG2-CG 3.46Å; V384-D408 WeakPolarHBondContact CG2-OD1 3.38Å; V384-S410 CarbonylContact C-O 3.56Å; V384-S410 VanDerWaalsContact CA-O 3.3Å; V384-S410 WeakPolarHBondContact CA-O 3.31Å; V384-S410 WeakPolarHBondContact CG2-OG 3.41Å; V384-I411 HydrophobicContact CG1-CB 4.31Å; V384-I411 HydrophobicContact CG1-CD1 3.87Å; V384-I411 HydrophobicContact CG1-CG1 4.17Å
385	G	97.5	Very high	95.7	Very high	18 Å²	18	29.2 Å²	29.2	19%	0.186	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	31.3	166.4	0	0	0	0	0	114.5	F353 S410 I411	F353-G385 WeakPolarHBondContact CA-O 3.11Å; G385-S410 PolarHBondContact N-O 3.07Å; G385-I411 WeakPolarHBondContact CA-O 3.26Å; G385-I411 PolarHBondContact N-O 2.89Å
386	N	97.8	Very high	95.5	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.032	17%	0.168	C	C	.	.			trans	-104.9	-175.3	-178.9	-77.8	-68.7	0	0	0	112.3	F351 C354 A355 L356 L383 V384 L388 N412	F351-N386 PolarHBondContact O-ND2 2.9Å; C354-N386 WeakPolarHBondContact CA-OD1 3.31Å; C354-N386 PolarHBondContact N-OD1 3.38Å; C354-N386 VanDerWaalsContact N-OD1 3.08Å; A355-N386 PolarHBondContact N-OD1 2.85Å; L356-N386 HydrophobicContact CB-CB 4.12Å; L356-N386 WeakPolarHBondContact CB-OD1 3.33Å; L356-N386 PolarHBondContact N-OD1 2.85Å; L383-N386 PolarHBondContact O-ND2 3.29Å; V384-N386 PolarHBondContact O-N 3.04Å; V384-N386 PolarHBondContact O-ND2 2.7Å; N386-L388 HydrophobicContact CB-CG 4.2Å; N386-N412 WeakPolarHBondContact CA-OD1 3.44Å; N386-N412 VanDerWaalsContact CB-OD1 3.31Å; N386-N412 WeakPolarHBondContact CB-OD1 3.39Å; N386-N412 PolarHBondContact N-OD1 3.29Å; N386-N412 PolarHBondContact O-OD1 2.67Å
387	N	95.3	Very high	95.4	Very high	93 Å²	93	32.7 Å²	32.7	50%	0.497	17%	0.169	S	C	.	.			trans	-101.2	33.7	179.2	-69.7	-31.9	0	0	0	112	A355 L356	A355-N387 PolarHBondContact O-ND2 2.94Å; L356-N387 CarbonylContact O-C 3.57Å; L356-N387 VanDerWaalsContact O-CA 3.25Å; L356-N387 WeakPolarHBondContact O-CA 3.29Å; L356-N387 WeakPolarHBondContact O-CB 3.24Å; L356-N387 PolarHBondContact O-N 2.9Å
388	L	94.6	Very high	95.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.			trans	-72.1	133.2	176.6	-53.5	176.9	0	0	0	109.6	L356 S357 D358 I360 L383 N386 V394 L409 N412 S413 F414	L356-L388 PolarHBondContact O-N 2.72Å; S357-L388 WeakPolarHBondContact O-CD2 3.23Å; D358-L388 WeakPolarHBondContact OD1-CA 3.34Å; I360-L388 HydrophobicContact CD1-CD2 4.22Å; L383-L388 HydrophobicContact CB-CD1 4.16Å; L383-L388 HydrophobicContact CD1-CD1 4.15Å; N386-L388 HydrophobicContact CB-CG 4.2Å; L388-V394 HydrophobicContact CB-CG2 4.39Å; L388-V394 HydrophobicContact CD1-CG2 4.29Å; L388-V394 HydrophobicContact CD2-CG2 4.34Å; L388-L409 HydrophobicContact CD1-CD2 4.01Å; L388-N412 HydrophobicContact CB-CB 4.24Å; L388-N412 VanDerWaalsContact CB-OD1 3.26Å; L388-N412 WeakPolarHBondContact CB-OD1 3.41Å; L388-N412 VanDerWaalsContact CG-OD1 3.31Å; L388-N412 WeakPolarHBondContact CG-OD1 3.06Å; L388-N412 PolarHBondContact N-OD1 2.86Å; L388-N412 VanDerWaalsContact N-OD1 3.12Å; L388-S413 CarbonylContact O-C 3.23Å; L388-S413 PolarHBondContact O-N 2.94Å; L388-F414 HydrophobicContact CB-CD1 4.42Å; L388-F414 HydrophobicContact CB-CE1 3.54Å; L388-F414 HydrophobicContact CB-CZ 3.75Å; L388-F414 HydrophobicContact CD1-CE1 4.48Å; L388-F414 HydrophobicContact CD1-CZ 4.07Å
389	K	93	Very high	95.2	Very high	134 Å²	134	31.8 Å²	31.8	58%	0.583	16%	0.163	S	C	*	.			trans	-120.7	-40.1	-174	-65.9	-176	-177.4	-179.6	0	112.5	D358 F414 V415	D358-K389 PolarHBondContact OD1-N 3.41Å; K389-F414 CarbonylContact O-C 3.31Å; K389-F414 WeakPolarHBondContact O-CA 3.34Å; K389-V415 PolarHBondContact O-N 2.72Å
390	N	92.5	Very high	95	Very high	56 Å²	56	32.4 Å²	32.4	30%	0.299	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-109.5	103.6	-173.8	-168.4	-37.8	0	0	0	111.8	D358 Q392 V393 V394	D358-N390 PolarHBondContact OD1-N 3.06Å; D358-N390 VanDerWaalsContact OD2-CB 3.31Å; D358-N390 WeakPolarHBondContact OD2-CB 3.2Å; D358-N390 PolarHBondContact OD2-N 3.19Å; N390-Q392 PolarHBondContact O-N 3.48Å; N390-Q392 WeakPolarHBondContact OD1-CA 3.39Å; N390-Q392 VanDerWaalsContact OD1-CB 3.23Å; N390-Q392 WeakPolarHBondContact OD1-CB 3.19Å; N390-Q392 PolarHBondContact OD1-N 3.18Å; N390-V393 HydrophobicContact CB-CB 4.01Å; N390-V393 HydrophobicContact CB-CG2 3.83Å; N390-V393 PolarHBondContact O-N 2.91Å; N390-V393 VanDerWaalsContact O-N 3.15Å; N390-V393 PolarHBondContact OD1-N 2.89Å; N390-V393 VanDerWaalsContact OD1-N 3.12Å; N390-V394 WeakPolarHBondContact O-CG2 3.47Å; N390-V394 PolarHBondContact O-N 3.5Å
391	L	92.8	Very high	94.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-34.5	179.7	-172.9	64.3	0	0	0	112.5	V394 S395 L409 F414 W424 L433 L438 V442 C445	L391-V394 PolarHBondContact O-N 3.34Å; L391-S395 PolarHBondContact O-N 3.42Å; L391-L409 HydrophobicContact CD1-CD1 4.24Å; L391-F414 HydrophobicContact CB-CD1 4.06Å; L391-F414 HydrophobicContact CD1-CD1 4.4Å; L391-F414 HydrophobicContact CD1-CE1 4.25Å; L391-F414 HydrophobicContact CD1-CZ 4.38Å; L391-W424 HydrophobicContact CD1-CH2 4.08Å; L391-W424 HydrophobicContact CD1-CZ2 3.75Å; L391-W424 HydrophobicContact CG-CZ2 4.14Å; L391-L433 HydrophobicContact CD1-CD2 3.8Å; L391-L438 HydrophobicContact CD2-CD2 4.25Å; L391-V442 HydrophobicContact CD2-CG2 4.01Å; L391-C445 HydrophobicContact CD2-CB 4.15Å
392	Q	92	Very high	94.7	Very high	33 Å²	33	37.4 Å²	37.4	15%	0.154	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-46.2	177	-172.7	-162.6	-33	0	0	110.8	N390 S395 Q396 S419 Y421	N390-Q392 PolarHBondContact O-N 3.48Å; N390-Q392 WeakPolarHBondContact OD1-CA 3.39Å; N390-Q392 VanDerWaalsContact OD1-CB 3.23Å; N390-Q392 WeakPolarHBondContact OD1-CB 3.19Å; N390-Q392 PolarHBondContact OD1-N 3.18Å; Q392-S395 PolarHBondContact O-N 2.85Å; Q392-S395 PolarHBondContact O-OG 3.03Å; Q392-Q396 WeakPolarHBondContact O-CG 3.37Å; Q392-Q396 PolarHBondContact O-N 2.85Å; Q392-Q396 VanDerWaalsContact O-N 3.17Å; Q392-S419 PolarHBondContact OE1-OG 3.4Å; Q392-Y421 VanDerWaalsContact CG-O 3.3Å; Q392-Y421 WeakPolarHBondContact CG-O 3.45Å
393	V	92	Very high	94.6	Very high	36 Å²	36	38.4 Å²	38.4	22%	0.218	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-46.4	178.1	176.4	0	0	0	0	109.9	D358 N390 S395 Q396 R397	D358-V393 HydrophobicContact CB-CB 4.44Å; D358-V393 HydrophobicContact CB-CG1 4Å; N390-V393 HydrophobicContact CB-CB 4.01Å; N390-V393 HydrophobicContact CB-CG2 3.83Å; N390-V393 PolarHBondContact O-N 2.91Å; N390-V393 VanDerWaalsContact O-N 3.15Å; N390-V393 PolarHBondContact OD1-N 2.89Å; N390-V393 VanDerWaalsContact OD1-N 3.12Å; V393-S395 VanDerWaalsContact C-N 3.3Å; V393-S395 PolarHBondContact O-N 2.83Å; V393-Q396 WeakPolarHBondContact O-CB 3.45Å; V393-Q396 PolarHBondContact O-N 3.02Å; V393-R397 HydrophobicContact CG1-CG 4.42Å; V393-R397 WeakPolarHBondContact O-CG 3.31Å; V393-R397 PolarHBondContact O-N 3.12Å
394	V	93.9	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-42.5	176.6	175	0	0	0	0	111.3	L388 N390 L391 Q396 R397 L398 L409 F414 W424	L388-V394 HydrophobicContact CB-CG2 4.39Å; L388-V394 HydrophobicContact CD1-CG2 4.29Å; L388-V394 HydrophobicContact CD2-CG2 4.34Å; N390-V394 WeakPolarHBondContact O-CG2 3.47Å; N390-V394 PolarHBondContact O-N 3.5Å; L391-V394 PolarHBondContact O-N 3.34Å; V394-Q396 VanDerWaalsContact C-N 3.29Å; V394-Q396 PolarHBondContact O-N 2.88Å; V394-R397 PolarHBondContact O-N 3.48Å; V394-L398 HydrophobicContact CG1-CD1 3.86Å; V394-L398 HydrophobicContact CG1-CG 4.42Å; V394-L398 WeakPolarHBondContact O-CG 3.23Å; V394-L398 PolarHBondContact O-N 2.89Å; V394-L409 HydrophobicContact CG1-CD1 4.07Å; V394-L409 HydrophobicContact CG1-CD2 4.31Å; V394-F414 HydrophobicContact CG2-CE1 4.16Å; V394-W424 HydrophobicContact CG1-CH2 4.12Å
395	S	93.9	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.8	-45.8	175.3	80.7	0	0	0	0	111.5	L391 Q392 V393 R397 L398 Q399 C422 K423 W424	L391-S395 PolarHBondContact O-N 3.42Å; Q392-S395 PolarHBondContact O-N 2.85Å; Q392-S395 PolarHBondContact O-OG 3.03Å; V393-S395 VanDerWaalsContact C-N 3.3Å; V393-S395 PolarHBondContact O-N 2.83Å; S395-R397 PolarHBondContact O-N 3.16Å; S395-L398 PolarHBondContact O-N 2.77Å; S395-Q399 PolarHBondContact O-N 2.88Å; S395-Q399 VanDerWaalsContact O-N 3.16Å; S395-C422 WeakPolarHBondContact OG-CA 3.4Å; S395-K423 CarbonylContact C-O 3.51Å; S395-K423 VanDerWaalsContact C-O 3.23Å; S395-K423 PolarHBondContact OG-N 3.42Å; S395-W424 VanDerWaalsContact CB-CZ2 3.47Å
396	Q	91.6	Very high	94.7	Very high	55 Å²	55	47.2 Å²	47.2	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-65.7	-37.6	179.9	-65.6	174.9	-0.3	0	0	112.4	Q392 V393 V394 L398 Q399 Y421	Q392-Q396 WeakPolarHBondContact O-CG 3.37Å; Q392-Q396 PolarHBondContact O-N 2.85Å; Q392-Q396 VanDerWaalsContact O-N 3.17Å; V393-Q396 WeakPolarHBondContact O-CB 3.45Å; V393-Q396 PolarHBondContact O-N 3.02Å; V394-Q396 VanDerWaalsContact C-N 3.29Å; V394-Q396 PolarHBondContact O-N 2.88Å; Q396-L398 PolarHBondContact O-N 3.31Å; Q396-Q399 VanDerWaalsContact O-CG 3.28Å; Q396-Q399 WeakPolarHBondContact O-CG 3.07Å; Q396-Q399 PolarHBondContact O-N 2.85Å; Q396-Q399 PolarHBondContact O-NE2 3.3Å; Q396-Y421 PolarHBondContact NE2-O 2.8Å
397	R	92.6	Very high	94.7	Very high	29 Å²	29	47 Å²	47	11%	0.109	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-35.8	175.5	-62.5	-44.2	-174.8	-166.5	-6.2	112.6	D358 I360 E371 V393 V394 S395	D358-R397 PolarHBondContact O-NE 3.46Å; I360-R397 HydrophobicContact CG1-CG 4.41Å; I360-R397 WeakPolarHBondContact O-CD 3.38Å; I360-R397 WeakPolarHBondContact O-CG 3.17Å; E371-R397 IonicContact OE1-CZ 2.76Å; E371-R397 IonicContact OE1-NH1 3.81Å; E371-R397 PolarHBondContact OE1-NH1 2.9Å; E371-R397 WeakPolarHBondContact OE2-CA 3.26Å; E371-R397 WeakPolarHBondContact OE2-CD 3.43Å; E371-R397 IonicContact OE2-CZ 3.61Å; E371-R397 IonicContact OE2-NE 2.81Å; E371-R397 IonicContact OE2-NH1 2.71Å; E371-R397 PolarHBondContact OE2-NH1 3.23Å; V393-R397 HydrophobicContact CG1-CG 4.42Å; V393-R397 WeakPolarHBondContact O-CG 3.31Å; V393-R397 PolarHBondContact O-N 3.12Å; V394-R397 PolarHBondContact O-N 3.48Å; S395-R397 PolarHBondContact O-N 3.16Å
398	L	95.2	Very high	94.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-97	-2.5	-172.6	-55.7	-179.7	0	0	0	113.4	F361 L381 V394 S395 Q396 Y400 M401 L407 W424	F361-L398 HydrophobicContact CD2-CD2 3.65Å; F361-L398 HydrophobicContact CE2-CD2 4.03Å; L381-L398 HydrophobicContact CD2-CD1 3.96Å; L381-L398 HydrophobicContact CD2-CD2 3.62Å; L381-L398 HydrophobicContact CD2-CG 4.45Å; V394-L398 HydrophobicContact CG1-CD1 3.86Å; V394-L398 HydrophobicContact CG1-CG 4.42Å; V394-L398 WeakPolarHBondContact O-CG 3.23Å; V394-L398 PolarHBondContact O-N 2.89Å; S395-L398 PolarHBondContact O-N 2.77Å; Q396-L398 PolarHBondContact O-N 3.31Å; L398-Y400 PolarHBondContact O-N 3.16Å; L398-M401 HydrophobicContact CB-SD 4.43Å; L398-M401 HydrophobicContact CD2-CE 3.39Å; L398-M401 HydrophobicContact CD2-SD 3.63Å; L398-M401 PolarHBondContact O-N 2.93Å; L398-L407 HydrophobicContact CD1-CD1 4Å; L398-L407 HydrophobicContact CD1-CD2 4.1Å; L398-W424 HydrophobicContact CD1-CZ3 3.95Å
399	Q	93.7	Very high	95	Very high	43 Å²	43	44.7 Å²	44.7	20%	0.201	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.7	-169.5	76.2	-176.7	-37.3	0	0	115.1	S395 Q396 K423	S395-Q399 PolarHBondContact O-N 2.88Å; S395-Q399 VanDerWaalsContact O-N 3.16Å; Q396-Q399 VanDerWaalsContact O-CG 3.28Å; Q396-Q399 WeakPolarHBondContact O-CG 3.07Å; Q396-Q399 PolarHBondContact O-N 2.85Å; Q396-Q399 PolarHBondContact O-NE2 3.3Å; Q399-K423 HydrophobicContact CB-CB 4.3Å; Q399-K423 WeakPolarHBondContact CB-O 3.44Å
400	Y	95.1	Very high	95.2	Very high	85 Å²	85	38.6 Å²	38.6	33%	0.333	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	2.7	-178	-63	-60.4	0	0	0	114.3	E371 C372 E373 L398 K402	E371-Y400 HydrophobicContact CB-CD2 3.83Å; E371-Y400 HydrophobicContact CB-CE2 3.83Å; E371-Y400 HydrophobicContact CG-CE2 4.46Å; C372-Y400 WeakPolarHBondContact O-CB 3.48Å; E373-Y400 HydrophobicContact CG-CD1 4.43Å; E373-Y400 HydrophobicContact CG-CD2 3.7Å; E373-Y400 HydrophobicContact CG-CE2 4.18Å; E373-Y400 HydrophobicContact CG-CG 3.85Å; L398-Y400 PolarHBondContact O-N 3.16Å; Y400-K402 PolarHBondContact O-N 3.11Å
401	M	95.8	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.185	C	C	.	.			trans	-77	73.1	172	-61.8	-174.4	-178.5	0	0	110.2	F361 L375 L381 L398 S403 L404 P425	F361-M401 HydrophobicContact CB-CE 4.4Å; F361-M401 HydrophobicContact CD2-CE 3.67Å; F361-M401 HydrophobicContact CE2-CE 4.03Å; F361-M401 HydrophobicContact CG-CE 4Å; L375-M401 HydrophobicContact CB-CE 3.97Å; L375-M401 HydrophobicContact CB-CG 4.31Å; L375-M401 HydrophobicContact CD1-CE 3.68Å; L375-M401 HydrophobicContact CG-CE 4.48Å; L381-M401 HydrophobicContact CD2-CE 4.36Å; L381-M401 HydrophobicContact CD2-SD 4Å; L398-M401 HydrophobicContact CB-SD 4.43Å; L398-M401 HydrophobicContact CD2-CE 3.39Å; L398-M401 HydrophobicContact CD2-SD 3.63Å; L398-M401 PolarHBondContact O-N 2.93Å; M401-S403 PolarHBondContact O-N 2.79Å; M401-S403 VanDerWaalsContact O-N 3.14Å; M401-L404 HydrophobicContact CB-CB 3.96Å; M401-L404 HydrophobicContact CB-CD2 4.35Å; M401-L404 VanDerWaalsContact O-CB 3.26Å; M401-L404 WeakPolarHBondContact O-CB 3.47Å; M401-L404 PolarHBondContact O-N 3.29Å; M401-L404 VanDerWaalsContact O-N 3.12Å; M401-L404 HydrophobicContact SD-CD2 4.37Å; M401-P425 WeakPolarHBondContact O-CB 3.37Å
402	K	94.5	Very high	95.6	Very high	157 Å²	157	40.2 Å²	40.2	68%	0.683	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.4	-169.1	-65.4	171.3	-170.9	170.6	0	113.8	Y400 S427	Y400-K402 PolarHBondContact O-N 3.11Å; K402-S427 WeakPolarHBondContact O-CB 3.47Å; K402-S427 PolarHBondContact O-OG 3.27Å
403	S	97.1	Very high	95.7	Very high	44 Å²	44	42.7 Å²	42.7	31%	0.308	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.7	-178.9	-51.7	0	0	0	0	114	G376 V378 M401 R405	G376-S403 VanDerWaalsContact O-CB 3.27Å; G376-S403 WeakPolarHBondContact O-CB 3.22Å; G376-S403 PolarHBondContact O-N 2.87Å; G376-S403 PolarHBondContact O-OG 2.86Å; V378-S403 CarbonylContact O-C 3.18Å; M401-S403 PolarHBondContact O-N 2.79Å; M401-S403 VanDerWaalsContact O-N 3.14Å; S403-R405 PolarHBondContact O-N 3.38Å
404	L	98	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.			trans	-67.4	117.7	-171.9	-172.9	67.9	0	0	0	111.4	V378 L381 M401 L407 P425 S427 I428	V378-L404 HydrophobicContact CG1-CD1 4.09Å; V378-L404 WeakPolarHBondContact O-CA 3.44Å; V378-L404 PolarHBondContact O-N 2.83Å; L381-L404 HydrophobicContact CB-CD1 3.65Å; M401-L404 HydrophobicContact CB-CB 3.96Å; M401-L404 HydrophobicContact CB-CD2 4.35Å; M401-L404 VanDerWaalsContact O-CB 3.26Å; M401-L404 WeakPolarHBondContact O-CB 3.47Å; M401-L404 PolarHBondContact O-N 3.29Å; M401-L404 VanDerWaalsContact O-N 3.12Å; M401-L404 HydrophobicContact SD-CD2 4.37Å; L404-L407 HydrophobicContact CD2-CB 4.37Å; L404-L407 HydrophobicContact CD2-CD1 4.46Å; L404-L407 HydrophobicContact CD2-CD2 4.45Å; L404-P425 HydrophobicContact CB-CG 4.38Å; L404-P425 HydrophobicContact CD2-CG 4.29Å; L404-S427 CarbonylContact O-C 3.6Å; L404-S427 VanDerWaalsContact O-CB 3.3Å; L404-S427 WeakPolarHBondContact O-CB 3.3Å; L404-S427 PolarHBondContact O-OG 3.36Å; L404-S427 VanDerWaalsContact O-OG 3.12Å; L404-I428 HydrophobicContact CB-CG1 4.44Å; L404-I428 HydrophobicContact CD2-CD1 4.07Å; L404-I428 HydrophobicContact CD2-CG1 4.09Å; L404-I428 HydrophobicContact CG-CG1 4.16Å; L404-I428 VanDerWaalsContact O-CA 3.32Å; L404-I428 WeakPolarHBondContact O-CA 3.31Å; L404-I428 PolarHBondContact O-N 2.93Å
405	R	97.9	Very high	95.3	Very high	139 Å²	139	46.4 Å²	46.4	53%	0.525	23%	0.23	S	C	.	.			trans	-107.8	-43.8	-179.7	-64.6	-178.6	-174.6	-162.8	1.9	111.8	Q379 S403 T429 V430	Q379-R405 PolarHBondContact O-N 3.44Å; S403-R405 PolarHBondContact O-N 3.38Å; R405-T429 PolarHBondContact O-N 3.44Å; R405-T429 PolarHBondContact O-OG1 3.23Å; R405-V430 PolarHBondContact O-N 3.44Å
406	H	98.6	Very high	94.9	Very high	81 Å²	81	47.1 Å²	47.1	38%	0.375	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.4	-176.5	-59.4	-83	0	0	0	109.9	Q379 N380 L381 V430	Q379-H406 PolarHBondContact O-N 3.26Å; N380-H406 WeakPolarHBondContact CA-O 3.32Å; N380-H406 HydrophobicContact CB-CB 4.48Å; N380-H406 WeakPolarHBondContact OD1-CB 3.25Å; N380-H406 PolarHBondContact OD1-CD2 3.04Å; L381-H406 PolarHBondContact N-O 3.18Å; H406-V430 VanDerWaalsContact CE1-CG2 3.49Å; H406-V430 WeakPolarHBondContact CE1-CG2 3.02Å; H406-V430 WeakPolarHBondContact ND1-CB 3.39Å; H406-V430 WeakPolarHBondContact ND1-CG2 3.27Å
407	L	98.6	Very high	94.1	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.2	179.4	175.7	59.6	0	0	0	110.1	L381 L398 L404 L409 W424 I428 V430 M431 N432	L381-L407 HydrophobicContact CB-CD1 4.14Å; L381-L407 HydrophobicContact CD2-CD1 3.93Å; L381-L407 HydrophobicContact CG-CD1 4.07Å; L381-L407 WeakPolarHBondContact O-CA 3.46Å; L398-L407 HydrophobicContact CD1-CD1 4Å; L398-L407 HydrophobicContact CD1-CD2 4.1Å; L404-L407 HydrophobicContact CD2-CB 4.37Å; L404-L407 HydrophobicContact CD2-CD1 4.46Å; L404-L407 HydrophobicContact CD2-CD2 4.45Å; L407-L409 HydrophobicContact CD1-CD1 4.47Å; L407-L409 HydrophobicContact CD1-CD2 3.9Å; L407-L409 HydrophobicContact CD1-CG 3.94Å; L407-L409 HydrophobicContact CD2-CD1 4.02Å; L407-L409 HydrophobicContact CD2-CG 4.29Å; L407-L409 HydrophobicContact CG-CD1 4.23Å; L407-L409 HydrophobicContact CG-CD2 4.45Å; L407-L409 HydrophobicContact CG-CG 3.94Å; L407-W424 HydrophobicContact CD2-CE3 4.11Å; L407-W424 HydrophobicContact CD2-CH2 4.17Å; L407-W424 HydrophobicContact CD2-CZ3 3.49Å; L407-W424 VanDerWaalsContact CD2-CZ3 3.49Å; L407-I428 HydrophobicContact CD2-CD1 3.98Å; L407-V430 PolarHBondContact N-O 3.26Å; L407-M431 HydrophobicContact CD2-CE 4.01Å; L407-M431 WeakPolarHBondContact O-CA 2.96Å; L407-N432 PolarHBondContact O-N 3.3Å
408	D	98.6	Very high	93.4	Very high	43 Å²	43	50.4 Å²	50.4	23%	0.23	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116	173.2	-157.4	-33.9	0	0	0	111	L381 L383 V384 S410 N432	L381-D408 PolarHBondContact O-N 3.31Å; L383-D408 PolarHBondContact N-O 3.16Å; V384-D408 HydrophobicContact CG2-CB 4.03Å; V384-D408 VanDerWaalsContact CG2-CG 3.46Å; V384-D408 WeakPolarHBondContact CG2-OD1 3.38Å; D408-S410 WeakPolarHBondContact OD1-CB 3.33Å; D408-S410 PolarHBondContact OD1-N 3.37Å; D408-S410 PolarHBondContact OD1-OG 3Å; D408-N432 HydrophobicContact CB-CB 4.35Å; D408-N432 PolarHBondContact OD1-ND2 2.74Å; D408-N432 PolarHBondContact OD2-ND2 2.94Å
409	L	97.9	Very high	92.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.267	C	S	.	.			trans	-119.8	18	176.5	-62.5	178.5	0	0	0	111.1	L383 L388 L391 V394 L407 N412 F414 W424 M431 N432 L433	L383-L409 HydrophobicContact CB-CD2 3.95Å; L383-L409 HydrophobicContact CD1-CD2 3.78Å; L383-L409 HydrophobicContact CG-CD2 4.32Å; L388-L409 HydrophobicContact CD1-CD2 4.01Å; L391-L409 HydrophobicContact CD1-CD1 4.24Å; V394-L409 HydrophobicContact CG1-CD1 4.07Å; V394-L409 HydrophobicContact CG1-CD2 4.31Å; L407-L409 HydrophobicContact CD1-CD1 4.47Å; L407-L409 HydrophobicContact CD1-CD2 3.9Å; L407-L409 HydrophobicContact CD1-CG 3.94Å; L407-L409 HydrophobicContact CD2-CD1 4.02Å; L407-L409 HydrophobicContact CD2-CG 4.29Å; L407-L409 HydrophobicContact CG-CD1 4.23Å; L407-L409 HydrophobicContact CG-CD2 4.45Å; L407-L409 HydrophobicContact CG-CG 3.94Å; L409-N412 PolarHBondContact O-ND2 2.61Å; L409-F414 HydrophobicContact CB-CE2 3.87Å; L409-F414 HydrophobicContact CB-CZ 4.01Å; L409-F414 HydrophobicContact CD1-CZ 4.17Å; L409-F414 WeakPolarHBondContact O-CE2 3.22Å; L409-W424 HydrophobicContact CD1-CH2 3.96Å; L409-M431 HydrophobicContact CD1-CE 4Å; L409-N432 CarbonylContact C-O 3.12Å; L409-N432 WeakPolarHBondContact CA-O 3.37Å; L409-N432 PolarHBondContact N-O 3.03Å; L409-L433 HydrophobicContact CB-CD2 3.93Å; L409-L433 HydrophobicContact CD1-CD2 3.95Å
410	S	97.9	Very high	91.4	Very high	7 Å²	7	54.4 Å²	54.4	5%	0.049	29%	0.291	C	S	.	.			trans	-63.4	158.6	-176	60.1	0	0	0	0	113.2	V384 G385 D408 N412 N432 S434	V384-S410 CarbonylContact C-O 3.56Å; V384-S410 VanDerWaalsContact CA-O 3.3Å; V384-S410 WeakPolarHBondContact CA-O 3.31Å; V384-S410 WeakPolarHBondContact CG2-OG 3.41Å; G385-S410 PolarHBondContact N-O 3.07Å; D408-S410 WeakPolarHBondContact OD1-CB 3.33Å; D408-S410 PolarHBondContact OD1-N 3.37Å; D408-S410 PolarHBondContact OD1-OG 3Å; S410-N412 VanDerWaalsContact C-N 3.31Å; S410-N412 PolarHBondContact O-N 3.18Å; S410-N412 PolarHBondContact O-ND2 2.99Å; S410-N412 VanDerWaalsContact O-ND2 3.13Å; S410-N432 PolarHBondContact N-O 2.01Å; S410-S434 CarbonylContact C-O 3.48Å; S410-S434 VanDerWaalsContact CA-O 3.22Å; S410-S434 WeakPolarHBondContact CA-O 3.23Å; S410-S434 WeakPolarHBondContact CB-O 3.22Å; S410-S434 WeakPolarHBondContact CB-OG 3.27Å
411	I	97	Very high	90.6	Very high	85 Å²	85	57.7 Å²	57.7	44%	0.436	30%	0.304	S	S	.	.	S	Bend	trans	57.5	46.1	177.2	-42.2	177.4	0	0	0	110.8	F353 V384 G385 S434	F353-I411 HydrophobicContact CZ-CD1 4.37Å; V384-I411 HydrophobicContact CG1-CB 4.31Å; V384-I411 HydrophobicContact CG1-CD1 3.87Å; V384-I411 HydrophobicContact CG1-CG1 4.17Å; G385-I411 WeakPolarHBondContact CA-O 3.26Å; G385-I411 PolarHBondContact N-O 2.89Å; I411-S434 PolarHBondContact N-O 2.91Å
412	N	96.8	Very high	90.3	Very high	4 Å²	4	59 Å²	59	2%	0.021	31%	0.313	C	S	.	.			trans	-117.7	169.6	171	-81.5	-84.6	0	0	0	109.3	L383 N386 L388 L409 S410 F414 S435 G436	L383-N412 PolarHBondContact O-ND2 2.82Å; N386-N412 WeakPolarHBondContact CA-OD1 3.44Å; N386-N412 VanDerWaalsContact CB-OD1 3.31Å; N386-N412 WeakPolarHBondContact CB-OD1 3.39Å; N386-N412 PolarHBondContact N-OD1 3.29Å; N386-N412 PolarHBondContact O-OD1 2.67Å; L388-N412 HydrophobicContact CB-CB 4.24Å; L388-N412 VanDerWaalsContact CB-OD1 3.26Å; L388-N412 WeakPolarHBondContact CB-OD1 3.41Å; L388-N412 VanDerWaalsContact CG-OD1 3.31Å; L388-N412 WeakPolarHBondContact CG-OD1 3.06Å; L388-N412 PolarHBondContact N-OD1 2.86Å; L388-N412 VanDerWaalsContact N-OD1 3.12Å; L409-N412 PolarHBondContact O-ND2 2.61Å; S410-N412 VanDerWaalsContact C-N 3.31Å; S410-N412 PolarHBondContact O-N 3.18Å; S410-N412 PolarHBondContact O-ND2 2.99Å; S410-N412 VanDerWaalsContact O-ND2 3.13Å; N412-F414 HydrophobicContact CB-CD2 3.8Å; N412-F414 HydrophobicContact CB-CE2 3.44Å; N412-F414 VanDerWaalsContact CB-CE2 3.44Å; N412-F414 HydrophobicContact CB-CZ 3.85Å; N412-S435 VanDerWaalsContact O-O 3.1Å; N412-G436 CarbonylContact O-C 3.42Å; N412-G436 VanDerWaalsContact O-CA 3.22Å; N412-G436 WeakPolarHBondContact O-CA 3.36Å
413	S	92.6	Very high	90.2	Very high	86 Å²	86	57.2 Å²	57.2	60%	0.601	31%	0.305	S	S	*	.			trans	-109.4	64.6	-179.1	-67.4	0	0	0	0	111	L388	L388-S413 CarbonylContact O-C 3.23Å; L388-S413 PolarHBondContact O-N 2.94Å
414	F	92.2	Very high	90	Very high	5 Å²	5	56.5 Å²	56.5	2%	0.022	30%	0.295	C	S	.	.			trans	-72.9	137.7	-175.4	-70.4	-65.2	0	0	0	113	L388 K389 L391 V394 L409 N412 L433 G436 L438	L388-F414 HydrophobicContact CB-CD1 4.42Å; L388-F414 HydrophobicContact CB-CE1 3.54Å; L388-F414 HydrophobicContact CB-CZ 3.75Å; L388-F414 HydrophobicContact CD1-CE1 4.48Å; L388-F414 HydrophobicContact CD1-CZ 4.07Å; K389-F414 CarbonylContact O-C 3.31Å; K389-F414 WeakPolarHBondContact O-CA 3.34Å; L391-F414 HydrophobicContact CB-CD1 4.06Å; L391-F414 HydrophobicContact CD1-CD1 4.4Å; L391-F414 HydrophobicContact CD1-CE1 4.25Å; L391-F414 HydrophobicContact CD1-CZ 4.38Å; V394-F414 HydrophobicContact CG2-CE1 4.16Å; L409-F414 HydrophobicContact CB-CE2 3.87Å; L409-F414 HydrophobicContact CB-CZ 4.01Å; L409-F414 HydrophobicContact CD1-CZ 4.17Å; L409-F414 WeakPolarHBondContact O-CE2 3.22Å; N412-F414 HydrophobicContact CB-CD2 3.8Å; N412-F414 HydrophobicContact CB-CE2 3.44Å; N412-F414 VanDerWaalsContact CB-CE2 3.44Å; N412-F414 HydrophobicContact CB-CZ 3.85Å; F414-L433 HydrophobicContact CD2-CD2 4.38Å; F414-L433 HydrophobicContact CE2-CD2 4.08Å; F414-G436 PolarHBondContact N-O 3.44Å; F414-L438 HydrophobicContact CB-CD2 3.61Å; F414-L438 HydrophobicContact CB-CG 4.06Å; F414-L438 HydrophobicContact CG-CD2 4.49Å
415	V	86.4	Confident	89.8	Confident	108 Å²	108	56.6 Å²	56.6	66%	0.655	30%	0.296	S	S	*	.	B	Isolated β-bridge	trans	-119.6	129.5	165.8	-178.6	0	0	0	0	107.4	K389	K389-V415 PolarHBondContact O-N 2.72Å
416	Y	84.4	Confident	89.4	Confident	15 Å²	15	55.1 Å²	55.1	6%	0.059	30%	0.304	C	S	.	.			trans	-134.9	120.7	175	178.9	-109.9	0	0	0	109.9	G418 S419 N441 N444 C445	Y416-G418 VanDerWaalsContact CE1-CA 3.45Å; Y416-S419 PolarHBondContact OH-O 2.79Å; Y416-N441 HydrophobicContact CD1-CB 3.79Å; Y416-N441 HydrophobicContact CE1-CB 4.03Å; Y416-N441 WeakPolarHBondContact CE1-O 3.43Å; Y416-N444 HydrophobicContact CE1-CB 4.38Å; Y416-C445 HydrophobicContact CD1-CB 4.42Å; Y416-C445 HydrophobicContact CD2-CB 4.35Å; Y416-C445 HydrophobicContact CE1-CB 3.87Å; Y416-C445 HydrophobicContact CE2-CB 3.79Å; Y416-C445 VanDerWaalsContact CZ-CB 3.49Å
417	D	75.8	Confident	89.3	Confident	126 Å²	126	52.8 Å²	52.8	67%	0.674	30%	0.297	S	S	*	.			trans	-89.9	0.6	-172.4	64.6	-8	0	0	0	113.8	S419	D417-S419 VanDerWaalsContact OD1-CB 3.29Å; D417-S419 WeakPolarHBondContact OD1-CB 3.44Å; D417-S419 PolarHBondContact OD1-N 3.15Å; D417-S419 VanDerWaalsContact OD1-N 3.12Å
418	G	76.4	Confident	89.2	Confident	27 Å²	27	52.7 Å²	52.7	28%	0.278	30%	0.296	S	S	.	.			trans	90.8	11.4	-178.3	0	0	0	0	0	114.7	Y416	Y416-G418 VanDerWaalsContact CE1-CA 3.45Å
419	S	77.4	Confident	89.2	Confident	21 Å²	21	52.2 Å²	52.2	15%	0.147	30%	0.295	C	S	.	.			trans	-55.3	127.4	176.1	171.4	0	0	0	0	113.5	Q392 Y416 D417 Y421	Q392-S419 PolarHBondContact OE1-OG 3.4Å; Y416-S419 PolarHBondContact OH-O 2.79Å; D417-S419 VanDerWaalsContact OD1-CB 3.29Å; D417-S419 WeakPolarHBondContact OD1-CB 3.44Å; D417-S419 PolarHBondContact OD1-N 3.15Å; D417-S419 VanDerWaalsContact OD1-N 3.12Å; S419-Y421 PolarHBondContact O-N 3.38Å
420	P	71	Confident	89.2	Confident	107 Å²	107	54.3 Å²	54.3	70%	0.695	31%	0.308	S	S	*	.	S	Bend	trans	-71	3.2	-175.1	30.5	-36.4	0	0	0	114.7	C422	P420-C422 PolarHBondContact O-N 2.94Å
421	Y	78.3	Confident	89.2	Confident	154 Å²	154	54 Å²	54	60%	0.604	31%	0.306	S	S	*	.			trans	-102.2	45.9	-167.6	-61.8	-72.9	0	0	0	114	Q392 Q396 S419	Q392-Y421 VanDerWaalsContact CG-O 3.3Å; Q392-Y421 WeakPolarHBondContact CG-O 3.45Å; Q396-Y421 PolarHBondContact NE2-O 2.8Å; S419-Y421 PolarHBondContact O-N 3.38Å
422	C	89.3	Confident	89.3	Confident	28 Å²	28	51.3 Å²	51.3	19%	0.189	29%	0.292	C	S	.	.			trans	-89.2	132.3	170.9	-65.3	0	0	0	0	111.7	S395 P420 C445	S395-C422 WeakPolarHBondContact OG-CA 3.4Å; P420-C422 PolarHBondContact O-N 2.94Å; C422-C445 HydrophobicContact CB-CB 3.86Å; C422-C445 WeakPolarHBondContact CB-SG 3.42Å; C422-C445 WeakPolarHBondContact SG-CB 3.38Å; C422-C445 CovalentContact SG-SG 2.02Å; C422-C445 PolarHBondContact SG-SG 3.04Å
423	K	91.4	Very high	89.4	Confident	118 Å²	118	51.1 Å²	51.1	51%	0.513	29%	0.291	S	S	.	.			trans	-130.5	94.7	-177	-71	-172.6	179.9	-179.8	0	110.5	S395 Q399	S395-K423 CarbonylContact C-O 3.51Å; S395-K423 VanDerWaalsContact C-O 3.23Å; S395-K423 PolarHBondContact OG-N 3.42Å; Q399-K423 HydrophobicContact CB-CB 4.3Å; Q399-K423 WeakPolarHBondContact CB-O 3.44Å
424	W	94.4	Very high	89.6	Confident	30 Å²	30	47.2 Å²	47.2	11%	0.114	26%	0.264	C	S	.	.			trans	-98.5	149.3	176.2	-64.2	107.4	0	0	0	111.6	L391 V394 S395 L398 L407 L409 I428 M431 C445 P447	L391-W424 HydrophobicContact CD1-CH2 4.08Å; L391-W424 HydrophobicContact CD1-CZ2 3.75Å; L391-W424 HydrophobicContact CG-CZ2 4.14Å; V394-W424 HydrophobicContact CG1-CH2 4.12Å; S395-W424 VanDerWaalsContact CB-CZ2 3.47Å; L398-W424 HydrophobicContact CD1-CZ3 3.95Å; L407-W424 HydrophobicContact CD2-CE3 4.11Å; L407-W424 HydrophobicContact CD2-CH2 4.17Å; L407-W424 HydrophobicContact CD2-CZ3 3.49Å; L407-W424 VanDerWaalsContact CD2-CZ3 3.49Å; L409-W424 HydrophobicContact CD1-CH2 3.96Å; W424-I428 HydrophobicContact CB-CD1 4.34Å; W424-I428 HydrophobicContact CE3-CD1 3.88Å; W424-M431 HydrophobicContact CH2-CE 3.61Å; W424-M431 HydrophobicContact CZ2-CE 3.57Å; W424-M431 HydrophobicContact CZ3-CE 4.1Å; W424-C445 PolarHBondContact NE1-O 3.35Å; W424-P447 HydrophobicContact CB-CB 3.73Å; W424-P447 HydrophobicContact CB-CG 4.42Å; W424-P447 HydrophobicContact CG-CB 4.13Å; W424-P447 HydrophobicContact CG-CG 4.37Å
425	P	93.9	Very high	89.8	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.013	28%	0.276	C	S	.	.			trans	-63.2	137.8	167.4	26.1	-29.7	0	0	0	109.6	M401 L404 S427 I428	M401-P425 WeakPolarHBondContact O-CB 3.37Å; L404-P425 HydrophobicContact CB-CG 4.38Å; L404-P425 HydrophobicContact CD2-CG 4.29Å; P425-S427 PolarHBondContact O-N 2.98Å; P425-I428 HydrophobicContact CG-CD1 3.72Å; P425-I428 HydrophobicContact CG-CG1 3.97Å
426	P	89.5	Confident	89.8	Confident	108 Å²	108	43.8 Å²	43.8	70%	0.701	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.7	-173.1	30	-36.2	0	0	0	113.9	I428	P426-I428 VanDerWaalsContact C-N 3.35Å
427	S	95.5	Very high	90.2	Very high	32 Å²	32	44.7 Å²	44.7	22%	0.224	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.5	-178.6	36.9	0	0	0	0	114.5	K402 L404 P425 T429	K402-S427 WeakPolarHBondContact O-CB 3.47Å; K402-S427 PolarHBondContact O-OG 3.27Å; L404-S427 CarbonylContact O-C 3.6Å; L404-S427 VanDerWaalsContact O-CB 3.3Å; L404-S427 WeakPolarHBondContact O-CB 3.3Å; L404-S427 PolarHBondContact O-OG 3.36Å; L404-S427 VanDerWaalsContact O-OG 3.12Å; P425-S427 PolarHBondContact O-N 2.98Å; S427-T429 PolarHBondContact O-N 2.82Å
428	I	97.6	Very high	91.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.228	C	C	.	.			trans	-65.8	117.5	-179.2	-63.5	168.7	0	0	0	109.2	L404 L407 W424 P425 P426 M431 P447 G449 V450	L404-I428 HydrophobicContact CB-CG1 4.44Å; L404-I428 HydrophobicContact CD2-CD1 4.07Å; L404-I428 HydrophobicContact CD2-CG1 4.09Å; L404-I428 HydrophobicContact CG-CG1 4.16Å; L404-I428 VanDerWaalsContact O-CA 3.32Å; L404-I428 WeakPolarHBondContact O-CA 3.31Å; L404-I428 PolarHBondContact O-N 2.93Å; L407-I428 HydrophobicContact CD2-CD1 3.98Å; W424-I428 HydrophobicContact CB-CD1 4.34Å; W424-I428 HydrophobicContact CE3-CD1 3.88Å; P425-I428 HydrophobicContact CG-CD1 3.72Å; P425-I428 HydrophobicContact CG-CG1 3.97Å; P426-I428 VanDerWaalsContact C-N 3.35Å; I428-M431 HydrophobicContact CG2-CB 4.17Å; I428-P447 HydrophobicContact CB-CB 4.11Å; I428-P447 HydrophobicContact CB-CG 4.07Å; I428-P447 HydrophobicContact CD1-CB 4.43Å; I428-P447 HydrophobicContact CD1-CG 4.33Å; I428-P447 HydrophobicContact CG2-CB 4.46Å; I428-P447 HydrophobicContact CG2-CG 3.87Å; I428-G449 CarbonylContact O-C 3.55Å; I428-V450 PolarHBondContact O-N 2.96Å
429	T	97.7	Very high	91.9	Very high	34 Å²	34	40.2 Å²	40.2	21%	0.209	23%	0.231	C	C	.	.			trans	-105.3	-32.7	176.4	55.5	0	0	0	0	111.6	R405 S427 E451 T452	R405-T429 PolarHBondContact O-N 3.44Å; R405-T429 PolarHBondContact O-OG1 3.23Å; S427-T429 PolarHBondContact O-N 2.82Å; T429-E451 HydrophobicContact CG2-CG 4.43Å; T429-E451 WeakPolarHBondContact O-CA 3.5Å; T429-E451 PolarHBondContact O-N 2.84Å; T429-T452 PolarHBondContact O-N 3.49Å
430	V	98.5	Very high	92.6	Very high	43 Å²	43	41 Å²	41	26%	0.261	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.4	179	-176.5	0	0	0	0	109.4	R405 H406 L407 T452	R405-V430 PolarHBondContact O-N 3.44Å; H406-V430 VanDerWaalsContact CE1-CG2 3.49Å; H406-V430 WeakPolarHBondContact CE1-CG2 3.02Å; H406-V430 WeakPolarHBondContact ND1-CB 3.39Å; H406-V430 WeakPolarHBondContact ND1-CG2 3.27Å; L407-V430 PolarHBondContact N-O 3.26Å; V430-T452 WeakPolarHBondContact CA-O 3.31Å; V430-T452 HydrophobicContact CG1-CG2 4.43Å
431	M	98.1	Very high	93.6	Very high	2 Å²	2	39 Å²	39	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.1	178	-168.2	178	-168.1	0	0	110.7	L407 L409 W424 I428 L433 L446 P447 V450 T452 L453 D454	L407-M431 HydrophobicContact CD2-CE 4.01Å; L407-M431 WeakPolarHBondContact O-CA 2.96Å; L409-M431 HydrophobicContact CD1-CE 4Å; W424-M431 HydrophobicContact CH2-CE 3.61Å; W424-M431 HydrophobicContact CZ2-CE 3.57Å; W424-M431 HydrophobicContact CZ3-CE 4.1Å; I428-M431 HydrophobicContact CG2-CB 4.17Å; M431-L433 HydrophobicContact CE-CD1 3.62Å; M431-L433 HydrophobicContact CE-CD2 3.96Å; M431-L433 HydrophobicContact CE-CG 3.84Å; M431-L433 HydrophobicContact CG-CD1 4.32Å; M431-L433 HydrophobicContact CG-CG 4.2Å; M431-L433 HydrophobicContact SD-CD1 3.85Å; M431-L433 HydrophobicContact SD-CG 4.3Å; M431-L446 HydrophobicContact SD-CD2 4.37Å; M431-P447 WeakPolarHBondContact SD-CD 3.45Å; M431-P447 HydrophobicContact SD-CG 3.78Å; M431-V450 HydrophobicContact CB-CG2 4.23Å; M431-T452 PolarHBondContact N-O 2.95Å; M431-L453 HydrophobicContact CB-CD1 4.16Å; M431-L453 WeakPolarHBondContact O-CA 3.44Å; M431-D454 PolarHBondContact O-N 2.91Å
432	N	98.6	Very high	94.3	Very high	28 Å²	28	31.7 Å²	31.7	15%	0.15	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.4	174.3	-175	-0.6	0	0	0	110	L407 D408 L409 S410 S434 D454	L407-N432 PolarHBondContact O-N 3.3Å; D408-N432 HydrophobicContact CB-CB 4.35Å; D408-N432 PolarHBondContact OD1-ND2 2.74Å; D408-N432 PolarHBondContact OD2-ND2 2.94Å; L409-N432 CarbonylContact C-O 3.12Å; L409-N432 WeakPolarHBondContact CA-O 3.37Å; L409-N432 PolarHBondContact N-O 3.03Å; S410-N432 PolarHBondContact N-O 2.01Å; N432-S434 WeakPolarHBondContact OD1-CB 3.39Å; N432-S434 PolarHBondContact OD1-N 3.48Å; N432-S434 PolarHBondContact OD1-OG 2.86Å; N432-D454 HydrophobicContact CB-CB 4.35Å
433	L	97.6	Very high	94.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.181	C	C	.	.			trans	-123.9	26.6	178.9	-77.5	170.3	0	0	0	110.8	L391 L409 F414 M431 L438 V442 L446 D454 L455 N458	L391-L433 HydrophobicContact CD1-CD2 3.8Å; L409-L433 HydrophobicContact CB-CD2 3.93Å; L409-L433 HydrophobicContact CD1-CD2 3.95Å; F414-L433 HydrophobicContact CD2-CD2 4.38Å; F414-L433 HydrophobicContact CE2-CD2 4.08Å; M431-L433 HydrophobicContact CE-CD1 3.62Å; M431-L433 HydrophobicContact CE-CD2 3.96Å; M431-L433 HydrophobicContact CE-CG 3.84Å; M431-L433 HydrophobicContact CG-CD1 4.32Å; M431-L433 HydrophobicContact CG-CG 4.2Å; M431-L433 HydrophobicContact SD-CD1 3.85Å; M431-L433 HydrophobicContact SD-CG 4.3Å; L433-L438 HydrophobicContact CB-CD1 3.9Å; L433-L438 HydrophobicContact CD1-CD1 4.46Å; L433-L438 HydrophobicContact CD2-CD1 4.21Å; L433-L438 HydrophobicContact CG-CD1 4.44Å; L433-V442 HydrophobicContact CD1-CG2 4.17Å; L433-L446 HydrophobicContact CD1-CD2 3.95Å; L433-D454 CarbonylContact C-O 3.56Å; L433-D454 WeakPolarHBondContact CA-O 3.44Å; L433-D454 PolarHBondContact N-O 2.96Å; L433-L455 HydrophobicContact CB-CD2 3.7Å; L433-L455 HydrophobicContact CD1-CD2 4.17Å; L433-N458 PolarHBondContact O-ND2 3.43Å
434	S	97.8	Very high	94.3	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.028	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	150.9	-176.8	62.1	0	0	0	0	113.4	S410 I411 N432 G436 D454 Q456	S410-S434 CarbonylContact C-O 3.48Å; S410-S434 VanDerWaalsContact CA-O 3.22Å; S410-S434 WeakPolarHBondContact CA-O 3.23Å; S410-S434 WeakPolarHBondContact CB-O 3.22Å; S410-S434 WeakPolarHBondContact CB-OG 3.27Å; I411-S434 PolarHBondContact N-O 2.91Å; N432-S434 WeakPolarHBondContact OD1-CB 3.39Å; N432-S434 PolarHBondContact OD1-N 3.48Å; N432-S434 PolarHBondContact OD1-OG 2.86Å; S434-G436 PolarHBondContact O-N 3.37Å; S434-D454 PolarHBondContact N-O 3.02Å; S434-Q456 CarbonylContact C-O 3.59Å; S434-Q456 VanDerWaalsContact CA-O 3.23Å; S434-Q456 WeakPolarHBondContact CA-O 3.25Å; S434-Q456 WeakPolarHBondContact CB-O 3.26Å
435	S	95.5	Very high	94.1	Very high	40 Å²	40	26.4 Å²	26.4	28%	0.28	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	33.7	179.9	-53.2	0	0	0	0	113.5	N412 Q456 N457	N412-S435 VanDerWaalsContact O-O 3.1Å; S435-Q456 PolarHBondContact N-O 3.2Å; S435-N457 VanDerWaalsContact CA-O 3.31Å; S435-N457 WeakPolarHBondContact CA-O 3.14Å; S435-N457 PolarHBondContact OG-ND2 3.45Å
436	G	87.6	Confident	94.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	17%	0.169	C	C	.	.	S	Bend	trans	-90.6	-12.2	-173.1	0	0	0	0	0	115.2	N412 F414 S434 L438 N458	N412-G436 CarbonylContact O-C 3.42Å; N412-G436 VanDerWaalsContact O-CA 3.22Å; N412-G436 WeakPolarHBondContact O-CA 3.36Å; F414-G436 PolarHBondContact N-O 3.44Å; S434-G436 PolarHBondContact O-N 3.37Å; G436-L438 PolarHBondContact O-N 3.13Å; G436-N458 WeakPolarHBondContact CA-OD1 3.29Å; G436-N458 PolarHBondContact N-OD1 2.99Å
437	G	91.7	Very high	94.3	Very high	34 Å²	34	22.1 Å²	22.1	35%	0.351	14%	0.137	S	C	.	.			trans	72	13.4	-169.5	0	0	0	0	0	114.3	N458	G437-N458 PolarHBondContact N-OD1 3.07Å
438	L	94.6	Very high	94	Very high	3 Å²	3	27 Å²	27	2%	0.016	15%	0.154	C	C	.	.			trans	-71.3	148.6	-173.1	-67.3	157.9	0	0	0	112.2	L391 F414 L433 G436 V442 L455 N458 Q459	L391-L438 HydrophobicContact CD2-CD2 4.25Å; F414-L438 HydrophobicContact CB-CD2 3.61Å; F414-L438 HydrophobicContact CB-CG 4.06Å; F414-L438 HydrophobicContact CG-CD2 4.49Å; L433-L438 HydrophobicContact CB-CD1 3.9Å; L433-L438 HydrophobicContact CD1-CD1 4.46Å; L433-L438 HydrophobicContact CD2-CD1 4.21Å; L433-L438 HydrophobicContact CG-CD1 4.44Å; G436-L438 PolarHBondContact O-N 3.13Å; L438-V442 HydrophobicContact CB-CB 4.25Å; L438-V442 HydrophobicContact CB-CG2 4.44Å; L438-V442 HydrophobicContact CD1-CG2 3.96Å; L438-V442 HydrophobicContact CD2-CB 4.33Å; L438-V442 HydrophobicContact CD2-CG2 4.08Å; L438-V442 HydrophobicContact CG-CG2 4.38Å; L438-L455 HydrophobicContact CD1-CD2 4.31Å; L438-N458 HydrophobicContact CB-CB 4.45Å; L438-N458 WeakPolarHBondContact CB-OD1 3.26Å; L438-N458 PolarHBondContact N-OD1 3.3Å; L438-Q459 WeakPolarHBondContact O-CA 3.16Å; L438-Q459 WeakPolarHBondContact O-CB 3.49Å; L438-Q459 PolarHBondContact O-N 3.21Å
439	T	94.3	Very high	93.7	Very high	55 Å²	55	27.7 Å²	27.7	34%	0.337	16%	0.161	S	C	.	.			trans	-107.2	-177.5	176.2	64.6	0	0	0	0	111	N441 V442	T439-N441 PolarHBondContact O-N 2.92Å; T439-V442 VanDerWaalsContact O-CG1 3.32Å; T439-V442 WeakPolarHBondContact O-CG1 3.23Å; T439-V442 PolarHBondContact O-N 3.03Å; T439-V442 VanDerWaalsContact O-N 3.09Å
440	D	92.4	Very high	93.6	Very high	37 Å²	37	26 Å²	26	20%	0.198	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-53	-26.2	-179.6	-47.4	-48.6	0	0	0	113.8	V442 F443 I460 S461 V462	D440-V442 PolarHBondContact O-N 2.89Å; D440-F443 WeakPolarHBondContact O-CD2 3.49Å; D440-I460 WeakPolarHBondContact OD1-CA 3.41Å; D440-S461 PolarHBondContact OD1-N 3.44Å; D440-S461 PolarHBondContact OD1-OG 2.8Å; D440-S461 PolarHBondContact OD2-OG 3.39Å; D440-S461 VanDerWaalsContact OD2-OG 3.12Å; D440-V462 HydrophobicContact CB-CG1 4.19Å; D440-V462 PolarHBondContact OD1-N 3.02Å; D440-V462 VanDerWaalsContact OD1-O 3.08Å
441	N	91	Very high	93.6	Very high	65 Å²	65	28 Å²	28	35%	0.348	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-65.4	-22	-179.1	-71.9	-20.6	0	0	0	113.3	Y416 T439 F443 N444	Y416-N441 HydrophobicContact CD1-CB 3.79Å; Y416-N441 HydrophobicContact CE1-CB 4.03Å; Y416-N441 WeakPolarHBondContact CE1-O 3.43Å; T439-N441 PolarHBondContact O-N 2.92Å; N441-F443 PolarHBondContact O-N 3.42Å; N441-N444 WeakPolarHBondContact O-CB 3.3Å; N441-N444 PolarHBondContact O-N 3.33Å
442	V	92.6	Very high	93.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-51.6	-33.9	-176.5	67.2	0	0	0	0	112.8	L391 L433 L438 T439 D440 N444 C445 L446 L455 I460	L391-V442 HydrophobicContact CD2-CG2 4.01Å; L433-V442 HydrophobicContact CD1-CG2 4.17Å; L438-V442 HydrophobicContact CB-CB 4.25Å; L438-V442 HydrophobicContact CB-CG2 4.44Å; L438-V442 HydrophobicContact CD1-CG2 3.96Å; L438-V442 HydrophobicContact CD2-CB 4.33Å; L438-V442 HydrophobicContact CD2-CG2 4.08Å; L438-V442 HydrophobicContact CG-CG2 4.38Å; T439-V442 VanDerWaalsContact O-CG1 3.32Å; T439-V442 WeakPolarHBondContact O-CG1 3.23Å; T439-V442 PolarHBondContact O-N 3.03Å; T439-V442 VanDerWaalsContact O-N 3.09Å; D440-V442 PolarHBondContact O-N 2.89Å; V442-N444 PolarHBondContact O-N 3.11Å; V442-N444 VanDerWaalsContact O-N 3.08Å; V442-C445 CarbonylContact O-C 3.59Å; V442-C445 WeakPolarHBondContact O-CA 3.36Å; V442-C445 PolarHBondContact O-N 2.87Å; V442-L446 HydrophobicContact CG2-CD2 4.35Å; V442-L455 HydrophobicContact CG1-CD1 4.25Å; V442-L455 HydrophobicContact CG1-CD2 4.15Å; V442-L455 HydrophobicContact CG2-CD2 4.16Å; V442-I460 HydrophobicContact CG1-CD1 4.17Å
443	F	91.4	Very high	93.6	Very high	10 Å²	10	29.1 Å²	29.1	4%	0.044	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-64.4	-16.4	-177.9	-68.9	-83.2	0	0	0	114.3	D440 N441 C445 L446 L455 I460 I463 P464 L466 L478	D440-F443 WeakPolarHBondContact O-CD2 3.49Å; N441-F443 PolarHBondContact O-N 3.42Å; F443-C445 VanDerWaalsContact C-N 3.28Å; F443-L446 HydrophobicContact CB-CD1 4.32Å; F443-L446 HydrophobicContact CD1-CD1 3.7Å; F443-L446 HydrophobicContact CE1-CD1 4.46Å; F443-L446 HydrophobicContact CG-CD1 4.32Å; F443-L455 HydrophobicContact CE1-CD1 3.84Å; F443-L455 HydrophobicContact CE2-CD1 4.37Å; F443-L455 HydrophobicContact CZ-CD1 3.71Å; F443-I460 HydrophobicContact CE2-CD1 4.1Å; F443-I460 HydrophobicContact CE2-CG2 4.02Å; F443-I460 HydrophobicContact CZ-CD1 4.42Å; F443-I463 HydrophobicContact CD1-CG2 4.26Å; F443-I463 HydrophobicContact CD2-CG2 4.32Å; F443-I463 HydrophobicContact CE1-CD1 4.45Å; F443-I463 HydrophobicContact CE1-CG2 4.11Å; F443-I463 HydrophobicContact CE2-CB 4.42Å; F443-I463 HydrophobicContact CE2-CG1 4.07Å; F443-I463 HydrophobicContact CE2-CG2 4.18Å; F443-I463 HydrophobicContact CG-CG2 4.37Å; F443-I463 HydrophobicContact CZ-CB 4.47Å; F443-I463 HydrophobicContact CZ-CD1 4.02Å; F443-I463 HydrophobicContact CZ-CG1 3.88Å; F443-I463 HydrophobicContact CZ-CG2 4.08Å; F443-P464 HydrophobicContact CB-CG 4.34Å; F443-L466 HydrophobicContact CB-CD2 3.43Å; F443-L466 VanDerWaalsContact CB-CD2 3.43Å; F443-L466 HydrophobicContact CD1-CD2 4.34Å; F443-L466 HydrophobicContact CG-CD2 4.15Å; F443-L478 HydrophobicContact CZ-CD2 4.25Å
444	N	89.8	Confident	93.6	Very high	55 Å²	55	30.6 Å²	30.6	29%	0.294	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-80.2	-8.9	171.9	-66.3	-32.9	0	0	0	113.3	Y416 N441 V442	Y416-N444 HydrophobicContact CE1-CB 4.38Å; N441-N444 WeakPolarHBondContact O-CB 3.3Å; N441-N444 PolarHBondContact O-N 3.33Å; V442-N444 PolarHBondContact O-N 3.11Å; V442-N444 VanDerWaalsContact O-N 3.08Å
445	C	91.1	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-123.6	40.9	-174.3	-167.1	0	0	0	0	112.3	L391 Y416 C422 W424 V442 F443	L391-C445 HydrophobicContact CD2-CB 4.15Å; Y416-C445 HydrophobicContact CD1-CB 4.42Å; Y416-C445 HydrophobicContact CD2-CB 4.35Å; Y416-C445 HydrophobicContact CE1-CB 3.87Å; Y416-C445 HydrophobicContact CE2-CB 3.79Å; Y416-C445 VanDerWaalsContact CZ-CB 3.49Å; C422-C445 HydrophobicContact CB-CB 3.86Å; C422-C445 WeakPolarHBondContact CB-SG 3.42Å; C422-C445 WeakPolarHBondContact SG-CB 3.38Å; C422-C445 CovalentContact SG-SG 2.02Å; C422-C445 PolarHBondContact SG-SG 3.04Å; W424-C445 PolarHBondContact NE1-O 3.35Å; V442-C445 CarbonylContact O-C 3.59Å; V442-C445 WeakPolarHBondContact O-CA 3.36Å; V442-C445 PolarHBondContact O-N 2.87Å; F443-C445 VanDerWaalsContact C-N 3.28Å
446	L	93.2	Very high	93.7	Very high	18 Å²	18	31.7 Å²	31.7	9%	0.094	17%	0.173	C	C	.	.			trans	-110.9	149.5	-178.6	-63.6	174.5	0	0	0	112.3	M431 L433 V442 F443 L453 L470	M431-L446 HydrophobicContact SD-CD2 4.37Å; L433-L446 HydrophobicContact CD1-CD2 3.95Å; V442-L446 HydrophobicContact CG2-CD2 4.35Å; F443-L446 HydrophobicContact CB-CD1 4.32Å; F443-L446 HydrophobicContact CD1-CD1 3.7Å; F443-L446 HydrophobicContact CE1-CD1 4.46Å; F443-L446 HydrophobicContact CG-CD1 4.32Å; L446-L453 HydrophobicContact CD1-CD2 3.55Å; L446-L453 HydrophobicContact CD2-CD1 4.1Å; L446-L453 HydrophobicContact CD2-CD2 4.17Å; L446-L453 HydrophobicContact CG-CD2 4.49Å; L446-L470 HydrophobicContact CB-CD2 4.41Å; L446-L470 HydrophobicContact CD1-CD1 3.86Å
447	P	92.9	Very high	94.2	Very high	3 Å²	3	36 Å²	36	2%	0.019	20%	0.196	C	C	.	.			trans	-65.6	138	173	17.4	-20.7	0	0	0	111.4	W424 I428 M431 G449 V450	W424-P447 HydrophobicContact CB-CB 3.73Å; W424-P447 HydrophobicContact CB-CG 4.42Å; W424-P447 HydrophobicContact CG-CB 4.13Å; W424-P447 HydrophobicContact CG-CG 4.37Å; I428-P447 HydrophobicContact CB-CB 4.11Å; I428-P447 HydrophobicContact CB-CG 4.07Å; I428-P447 HydrophobicContact CD1-CB 4.43Å; I428-P447 HydrophobicContact CD1-CG 4.33Å; I428-P447 HydrophobicContact CG2-CB 4.46Å; I428-P447 HydrophobicContact CG2-CG 3.87Å; M431-P447 WeakPolarHBondContact SD-CD 3.45Å; M431-P447 HydrophobicContact SD-CG 3.78Å; P447-G449 VanDerWaalsContact C-N 3.26Å; P447-G449 PolarHBondContact O-N 3.11Å; P447-V450 HydrophobicContact CG-CB 4.21Å; P447-V450 VanDerWaalsContact O-CG1 3.31Å; P447-V450 WeakPolarHBondContact O-CG1 3.27Å; P447-V450 PolarHBondContact O-N 3.43Å
448	K	89.6	Confident	94.5	Very high	135 Å²	135	34.8 Å²	34.8	59%	0.587	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.9	-178.6	-64.9	-178.9	179.6	178.9	0	113.6
449	G	91.8	Very high	94.6	Very high	13 Å²	13	38.6 Å²	38.6	13%	0.134	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.1	-176.5	0	0	0	0	0	114.9	I428 P447 E451	I428-G449 CarbonylContact O-C 3.55Å; P447-G449 VanDerWaalsContact C-N 3.26Å; P447-G449 PolarHBondContact O-N 3.11Å; G449-E451 PolarHBondContact O-N 2.83Å
450	V	96.2	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.			trans	-61.6	134.1	-172.2	71.3	0	0	0	0	112.1	I428 M431 P447 T452 L453 L470 N472 L473	I428-V450 PolarHBondContact O-N 2.96Å; M431-V450 HydrophobicContact CB-CG2 4.23Å; P447-V450 HydrophobicContact CG-CB 4.21Å; P447-V450 VanDerWaalsContact O-CG1 3.31Å; P447-V450 WeakPolarHBondContact O-CG1 3.27Å; P447-V450 PolarHBondContact O-N 3.43Å; V450-T452 WeakPolarHBondContact CG2-O 3.46Å; V450-L453 HydrophobicContact CG2-CB 4.16Å; V450-L470 HydrophobicContact CG1-CD1 4.29Å; V450-L470 HydrophobicContact CG1-CD2 4.13Å; V450-N472 CarbonylContact O-C 3.43Å; V450-N472 VanDerWaalsContact O-C 3.31Å; V450-L473 HydrophobicContact CG1-CD1 4.03Å; V450-L473 HydrophobicContact CG2-CD1 4.45Å; V450-L473 WeakPolarHBondContact O-CA 3.26Å; V450-L473 PolarHBondContact O-N 3.47Å; V450-L473 VanDerWaalsContact O-N 3.14Å
451	E	97.4	Very high	94.8	Very high	85 Å²	85	36.7 Å²	36.7	40%	0.397	19%	0.191	S	C	.	.	S	Bend	trans	-110.1	-44	178.2	-63.2	-176.2	175	0	0	110.6	T429 G449 N472 S474 S475	T429-E451 HydrophobicContact CG2-CG 4.43Å; T429-E451 WeakPolarHBondContact O-CA 3.5Å; T429-E451 PolarHBondContact O-N 2.84Å; G449-E451 PolarHBondContact O-N 2.83Å; E451-N472 HydrophobicContact CG-CB 4.14Å; E451-S474 PolarHBondContact O-N 2.8Å; E451-S474 PolarHBondContact O-OG 3.46Å; E451-S474 VanDerWaalsContact O-OG 3.11Å; E451-S475 PolarHBondContact O-N 2.84Å
452	T	98.3	Very high	94.9	Very high	52 Å²	52	37.3 Å²	37.3	32%	0.319	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123	176.5	-55.7	0	0	0	0	109.7	T429 V430 M431 V450 S475	T429-T452 PolarHBondContact O-N 3.49Å; V430-T452 WeakPolarHBondContact CA-O 3.31Å; V430-T452 HydrophobicContact CG1-CG2 4.43Å; M431-T452 PolarHBondContact N-O 2.95Å; V450-T452 WeakPolarHBondContact CG2-O 3.46Å; T452-S475 WeakPolarHBondContact CA-O 3.2Å
453	L	98.2	Very high	94.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.2	-179.7	178.8	60.4	0	0	0	110.4	M431 L446 V450 L455 L473 S475 L476 N477	M431-L453 HydrophobicContact CB-CD1 4.16Å; M431-L453 WeakPolarHBondContact O-CA 3.44Å; L446-L453 HydrophobicContact CD1-CD2 3.55Å; L446-L453 HydrophobicContact CD2-CD1 4.1Å; L446-L453 HydrophobicContact CD2-CD2 4.17Å; L446-L453 HydrophobicContact CG-CD2 4.49Å; V450-L453 HydrophobicContact CG2-CB 4.16Å; L453-L455 HydrophobicContact CD1-CD1 4.49Å; L453-L455 HydrophobicContact CD1-CG 4.2Å; L453-L455 HydrophobicContact CD2-CD1 3.72Å; L453-L455 HydrophobicContact CD2-CG 4.28Å; L453-L455 HydrophobicContact CG-CD1 4Å; L453-L455 HydrophobicContact CG-CG 4.01Å; L453-L473 HydrophobicContact CB-CD1 3.66Å; L453-S475 PolarHBondContact N-O 2.93Å; L453-L476 HydrophobicContact CB-CD1 4.11Å; L453-L476 HydrophobicContact CD2-CD1 3.95Å; L453-L476 HydrophobicContact CG-CD1 4.04Å; L453-L476 WeakPolarHBondContact O-CA 3.36Å; L453-N477 PolarHBondContact O-N 3.32Å
454	D	98.6	Very high	94.7	Very high	30 Å²	30	40 Å²	40	16%	0.16	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.3	172.2	-163.9	-19.4	0	0	0	111.3	M431 N432 L433 S434 Q456 N477	M431-D454 PolarHBondContact O-N 2.91Å; N432-D454 HydrophobicContact CB-CB 4.35Å; L433-D454 CarbonylContact C-O 3.56Å; L433-D454 WeakPolarHBondContact CA-O 3.44Å; L433-D454 PolarHBondContact N-O 2.96Å; S434-D454 PolarHBondContact N-O 3.02Å; D454-Q456 WeakPolarHBondContact OD1-CB 3.17Å; D454-Q456 VanDerWaalsContact OD1-CG 3.23Å; D454-Q456 WeakPolarHBondContact OD1-CG 3.15Å; D454-Q456 PolarHBondContact OD1-N 3.12Å; D454-N477 HydrophobicContact CB-CB 4.34Å; D454-N477 PolarHBondContact OD1-ND2 3.35Å; D454-N477 PolarHBondContact OD2-ND2 3.21Å; D454-N477 VanDerWaalsContact OD2-ND2 3.1Å
455	L	97.9	Very high	94.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.			trans	-124.2	23.3	176.1	-73.9	168.5	0	0	0	111.2	L433 L438 V442 F443 L453 N458 I460 L476 N477 L478 N481	L433-L455 HydrophobicContact CB-CD2 3.7Å; L433-L455 HydrophobicContact CD1-CD2 4.17Å; L438-L455 HydrophobicContact CD1-CD2 4.31Å; V442-L455 HydrophobicContact CG1-CD1 4.25Å; V442-L455 HydrophobicContact CG1-CD2 4.15Å; V442-L455 HydrophobicContact CG2-CD2 4.16Å; F443-L455 HydrophobicContact CE1-CD1 3.84Å; F443-L455 HydrophobicContact CE2-CD1 4.37Å; F443-L455 HydrophobicContact CZ-CD1 3.71Å; L453-L455 HydrophobicContact CD1-CD1 4.49Å; L453-L455 HydrophobicContact CD1-CG 4.2Å; L453-L455 HydrophobicContact CD2-CD1 3.72Å; L453-L455 HydrophobicContact CD2-CG 4.28Å; L453-L455 HydrophobicContact CG-CD1 4Å; L453-L455 HydrophobicContact CG-CG 4.01Å; L455-N458 PolarHBondContact O-ND2 2.87Å; L455-I460 HydrophobicContact CB-CD1 3.9Å; L455-I460 HydrophobicContact CD1-CD1 3.93Å; L455-I460 HydrophobicContact CD2-CD1 4.35Å; L455-I460 HydrophobicContact CG-CD1 4.3Å; L455-L476 HydrophobicContact CD1-CD1 4.32Å; L455-N477 CarbonylContact C-O 3.5Å; L455-N477 WeakPolarHBondContact CA-O 3.21Å; L455-N477 PolarHBondContact N-O 3.18Å; L455-L478 HydrophobicContact CB-CD2 3.81Å; L455-L478 HydrophobicContact CD1-CD2 4.22Å; L455-N481 PolarHBondContact O-ND2 2.73Å
456	Q	98.1	Very high	93.8	Very high	68 Å²	68	46.3 Å²	46.3	32%	0.318	24%	0.241	S	C	.	.			trans	-59.8	152.8	179.9	72.5	-176.8	-17.8	0	0	112.1	S434 S435 D454 N458 N477 N479	S434-Q456 CarbonylContact C-O 3.59Å; S434-Q456 VanDerWaalsContact CA-O 3.23Å; S434-Q456 WeakPolarHBondContact CA-O 3.25Å; S434-Q456 WeakPolarHBondContact CB-O 3.26Å; S435-Q456 PolarHBondContact N-O 3.2Å; D454-Q456 WeakPolarHBondContact OD1-CB 3.17Å; D454-Q456 VanDerWaalsContact OD1-CG 3.23Å; D454-Q456 WeakPolarHBondContact OD1-CG 3.15Å; D454-Q456 PolarHBondContact OD1-N 3.12Å; Q456-N458 PolarHBondContact O-N 3.07Å; Q456-N458 PolarHBondContact O-ND2 3.2Å; Q456-N477 PolarHBondContact N-O 3.19Å; Q456-N477 PolarHBondContact OE1-ND2 3.32Å; Q456-N479 CarbonylContact C-O 3.56Å; Q456-N479 WeakPolarHBondContact CA-O 3.47Å; Q456-N479 HydrophobicContact CB-CB 4.11Å
457	N	97.7	Very high	92.7	Very high	91 Å²	91	50.6 Å²	50.6	49%	0.487	27%	0.268	S	S	.	.	S	Bend	trans	56.8	46.4	175	-166.1	36.1	0	0	0	113.1	S435 N479 A480	S435-N457 VanDerWaalsContact CA-O 3.31Å; S435-N457 WeakPolarHBondContact CA-O 3.14Å; S435-N457 PolarHBondContact OG-ND2 3.45Å; N457-N479 PolarHBondContact N-O 2.76Å; N457-A480 VanDerWaalsContact CA-O 3.26Å; N457-A480 WeakPolarHBondContact CA-O 3.22Å; N457-A480 HydrophobicContact CB-CB 4.28Å; N457-A480 PolarHBondContact N-O 3.35Å
458	N	97.4	Very high	91.9	Very high	9 Å²	9	55.6 Å²	55.6	5%	0.048	29%	0.291	C	S	.	.	S	Bend	trans	-117	-169.3	175.4	-81.4	-63	0	0	0	110.6	L433 G436 G437 L438 L455 Q456 I460 N481	L433-N458 PolarHBondContact O-ND2 3.43Å; G436-N458 WeakPolarHBondContact CA-OD1 3.29Å; G436-N458 PolarHBondContact N-OD1 2.99Å; G437-N458 PolarHBondContact N-OD1 3.07Å; L438-N458 HydrophobicContact CB-CB 4.45Å; L438-N458 WeakPolarHBondContact CB-OD1 3.26Å; L438-N458 PolarHBondContact N-OD1 3.3Å; L455-N458 PolarHBondContact O-ND2 2.87Å; Q456-N458 PolarHBondContact O-N 3.07Å; Q456-N458 PolarHBondContact O-ND2 3.2Å; N458-I460 HydrophobicContact CB-CD1 4.27Å; N458-I460 HydrophobicContact CB-CG1 4.24Å; N458-N481 WeakPolarHBondContact CA-OD1 3.35Å; N458-N481 VanDerWaalsContact CB-OD1 3.26Å; N458-N481 WeakPolarHBondContact CB-OD1 3.26Å; N458-N481 PolarHBondContact N-OD1 2.83Å; N458-N481 PolarHBondContact O-OD1 3.02Å; N458-N481 VanDerWaalsContact O-OD1 3.12Å
459	Q	96	Very high	91.7	Very high	83 Å²	83	54.4 Å²	54.4	39%	0.388	29%	0.286	S	S	.	.			trans	-106.8	25.7	-179.1	-53.7	-167.6	33.7	0	0	112.7	L438 S461 R482	L438-Q459 WeakPolarHBondContact O-CA 3.16Å; L438-Q459 WeakPolarHBondContact O-CB 3.49Å; L438-Q459 PolarHBondContact O-N 3.21Å; Q459-S461 PolarHBondContact O-N 2.98Å; Q459-R482 VanDerWaalsContact OE1-NH1 3.15Å
460	I	96.1	Very high	91.7	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.			trans	-73.9	126.6	-175.7	-59.3	166.6	0	0	0	109.5	D440 V442 F443 L455 N458 L478 N481 R482 L483	D440-I460 WeakPolarHBondContact OD1-CA 3.41Å; V442-I460 HydrophobicContact CG1-CD1 4.17Å; F443-I460 HydrophobicContact CE2-CD1 4.1Å; F443-I460 HydrophobicContact CE2-CG2 4.02Å; F443-I460 HydrophobicContact CZ-CD1 4.42Å; L455-I460 HydrophobicContact CB-CD1 3.9Å; L455-I460 HydrophobicContact CD1-CD1 3.93Å; L455-I460 HydrophobicContact CD2-CD1 4.35Å; L455-I460 HydrophobicContact CG-CD1 4.3Å; N458-I460 HydrophobicContact CB-CD1 4.27Å; N458-I460 HydrophobicContact CB-CG1 4.24Å; I460-L478 HydrophobicContact CD1-CD2 3.67Å; I460-L478 HydrophobicContact CG2-CD2 4.45Å; I460-N481 HydrophobicContact CB-CB 4.4Å; I460-N481 WeakPolarHBondContact CB-OD1 3.33Å; I460-N481 PolarHBondContact N-OD1 2.73Å; I460-R482 CarbonylContact O-C 3.57Å; I460-R482 WeakPolarHBondContact O-CA 3.33Å; I460-R482 PolarHBondContact O-N 2.89Å; I460-L483 HydrophobicContact CG2-CD1 4.43Å; I460-L483 PolarHBondContact O-N 2.91Å
461	S	95.2	Very high	91.5	Very high	52 Å²	52	58.7 Å²	58.7	36%	0.364	31%	0.305	S	S	.	.			trans	-111.1	-26.7	178.5	72	0	0	0	0	112.8	D440 Q459	D440-S461 PolarHBondContact OD1-N 3.44Å; D440-S461 PolarHBondContact OD1-OG 2.8Å; D440-S461 PolarHBondContact OD2-OG 3.39Å; D440-S461 VanDerWaalsContact OD2-OG 3.12Å; Q459-S461 PolarHBondContact O-N 2.98Å
462	V	93.1	Very high	91.4	Very high	78 Å²	78	57.5 Å²	57.5	47%	0.473	30%	0.302	S	S	.	.			trans	-149.3	147.9	179.6	67.2	0	0	0	0	110.4	D440 P464	D440-V462 HydrophobicContact CB-CG1 4.19Å; D440-V462 PolarHBondContact OD1-N 3.02Å; D440-V462 VanDerWaalsContact OD1-O 3.08Å; V462-P464 WeakPolarHBondContact O-CD 3.44Å
463	I	91.6	Very high	91.3	Very high	27 Å²	27	55.1 Å²	55.1	14%	0.138	29%	0.287	C	S	.	.			trans	-91.4	112.1	166.8	-52.6	-171.2	0	0	0	107.3	F443 L476 L478 L483 P487 F492	F443-I463 HydrophobicContact CD1-CG2 4.26Å; F443-I463 HydrophobicContact CD2-CG2 4.32Å; F443-I463 HydrophobicContact CE1-CD1 4.45Å; F443-I463 HydrophobicContact CE1-CG2 4.11Å; F443-I463 HydrophobicContact CE2-CB 4.42Å; F443-I463 HydrophobicContact CE2-CG1 4.07Å; F443-I463 HydrophobicContact CE2-CG2 4.18Å; F443-I463 HydrophobicContact CG-CG2 4.37Å; F443-I463 HydrophobicContact CZ-CB 4.47Å; F443-I463 HydrophobicContact CZ-CD1 4.02Å; F443-I463 HydrophobicContact CZ-CG1 3.88Å; F443-I463 HydrophobicContact CZ-CG2 4.08Å; I463-L476 HydrophobicContact CD1-CD2 4.06Å; I463-L478 HydrophobicContact CD1-CD1 3.6Å; I463-L478 HydrophobicContact CG1-CD1 4.31Å; I463-L483 HydrophobicContact CG1-CD2 4.42Å; I463-P487 HydrophobicContact CB-CB 4.37Å; I463-P487 HydrophobicContact CD1-CB 3.39Å; I463-P487 HydrophobicContact CD1-CG 3.86Å; I463-P487 HydrophobicContact CG1-CB 3.93Å; I463-F492 HydrophobicContact CD1-CZ 4.4Å; I463-F492 HydrophobicContact CG2-CE1 4.44Å
464	P	88.1	Confident	91.3	Very high	39 Å²	39	56.6 Å²	56.6	25%	0.253	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-71.1	164.3	178.8	31.1	-34.8	0	0	0	111.1	F443 V462 L466	F443-P464 HydrophobicContact CB-CG 4.34Å; V462-P464 WeakPolarHBondContact O-CD 3.44Å; P464-L466 WeakPolarHBondContact O-CD2 3.37Å; P464-L466 PolarHBondContact O-N 3.12Å
465	Q	82.9	Confident	91.2	Very high	174 Å²	174	55.8 Å²	55.8	81%	0.813	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-64	126	168.7	-175.2	178.2	-9.5	0	0	109.3
466	L	79.4	Confident	91.2	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.073	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-79.6	137	-171.8	-54.4	-172.5	0	0	0	111.5	F443 P464 H468 L470 D491	F443-L466 HydrophobicContact CB-CD2 3.43Å; F443-L466 VanDerWaalsContact CB-CD2 3.43Å; F443-L466 HydrophobicContact CD1-CD2 4.34Å; F443-L466 HydrophobicContact CG-CD2 4.15Å; P464-L466 WeakPolarHBondContact O-CD2 3.37Å; P464-L466 PolarHBondContact O-N 3.12Å; L466-H468 VanDerWaalsContact CB-O 3.3Å; L466-H468 WeakPolarHBondContact CB-O 3.46Å; L466-H468 PolarHBondContact O-N 2.95Å; L466-L470 HydrophobicContact CD1-CD1 3.91Å; L466-L470 HydrophobicContact CD1-CG 3.83Å; L466-D491 HydrophobicContact CB-CB 4.22Å; L466-D491 HydrophobicContact CD1-CB 3.85Å; L466-D491 HydrophobicContact CG-CB 3.9Å; L466-D491 PolarHBondContact N-OD2 3.02Å
467	V	69.7	Low	91.3	Very high	109 Å²	109	53.5 Å²	53.5	66%	0.661	28%	0.284	S	S	*	.	S	Bend	trans	-61.3	-32.7	170.1	-178.7	0	0	0	0	110.7
468	H	76.8	Confident	91.3	Very high	108 Å²	108	49.2 Å²	49.2	50%	0.5	26%	0.261	S	S	.	.	S	Bend	trans	-131.4	125.9	176.4	-61.2	-39.3	0	0	0	110	L466	L466-H468 VanDerWaalsContact CB-O 3.3Å; L466-H468 WeakPolarHBondContact CB-O 3.46Å; L466-H468 PolarHBondContact O-N 2.95Å
469	K	85.3	Confident	91.3	Very high	110 Å²	110	49.8 Å²	49.8	48%	0.478	26%	0.264	S	S	.	.			trans	-66.7	135.5	176.6	-63	-165.2	170.7	-147.5	0	111	L471 D490 D491	K469-L471 HydrophobicContact CB-CD2 3.83Å; K469-L471 HydrophobicContact CB-CG 4.31Å; K469-L471 PolarHBondContact O-N 2.94Å; K469-D490 PolarHBondContact NZ-O 3.37Å; K469-D491 VanDerWaalsContact CE-OD1 3.29Å; K469-D491 WeakPolarHBondContact CE-OD1 3.45Å; K469-D491 HydrophobicContact CG-CB 4.43Å; K469-D491 IonicContact NZ-OD1 3.19Å
470	L	91.9	Very high	91.4	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	26%	0.262	C	S	.	.			trans	-90.3	79.3	175.7	-60.1	177	0	0	0	108.6	L446 V450 L466 N472 L473 D491	L446-L470 HydrophobicContact CB-CD2 4.41Å; L446-L470 HydrophobicContact CD1-CD1 3.86Å; V450-L470 HydrophobicContact CG1-CD1 4.29Å; V450-L470 HydrophobicContact CG1-CD2 4.13Å; L466-L470 HydrophobicContact CD1-CD1 3.91Å; L466-L470 HydrophobicContact CD1-CG 3.83Å; L470-N472 PolarHBondContact O-N 2.96Å; L470-L473 HydrophobicContact CB-CB 3.94Å; L470-L473 HydrophobicContact CB-CD2 4.45Å; L470-L473 HydrophobicContact CD1-CD2 4.06Å; L470-L473 PolarHBondContact O-N 2.75Å; L470-D491 PolarHBondContact N-O 3.33Å
471	L	92.9	Very high	91.5	Very high	98 Å²	98	48.2 Å²	48.2	51%	0.513	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.3	-169.9	-61.1	178	0	0	0	114.4	K469 P493 K494	K469-L471 HydrophobicContact CB-CD2 3.83Å; K469-L471 HydrophobicContact CB-CG 4.31Å; K469-L471 PolarHBondContact O-N 2.94Å; L471-P493 HydrophobicContact CD2-CG 4.16Å; L471-K494 VanDerWaalsContact O-CD 3.3Å; L471-K494 WeakPolarHBondContact O-CD 3.46Å; L471-K494 WeakPolarHBondContact O-CG 3.45Å
472	N	94.8	Very high	91.6	Very high	60 Å²	60	52 Å²	52	32%	0.321	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-9	-177.2	-75.4	-6.5	0	0	0	113.9	V450 E451 L470 S474 K494	V450-N472 CarbonylContact O-C 3.43Å; V450-N472 VanDerWaalsContact O-C 3.31Å; E451-N472 HydrophobicContact CG-CB 4.14Å; L470-N472 PolarHBondContact O-N 2.96Å; N472-S474 PolarHBondContact O-N 3.35Å; N472-K494 PolarHBondContact OD1-NZ 3.42Å; N472-K494 VanDerWaalsContact OD1-NZ 3.09Å
473	L	96.3	Very high	91.8	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.249	C	C	.	.			trans	-64.5	119.8	-176.1	-171.5	71.6	0	0	0	110.5	V450 L453 L470 L476 F492 K494 M495	V450-L473 HydrophobicContact CG1-CD1 4.03Å; V450-L473 HydrophobicContact CG2-CD1 4.45Å; V450-L473 WeakPolarHBondContact O-CA 3.26Å; V450-L473 PolarHBondContact O-N 3.47Å; V450-L473 VanDerWaalsContact O-N 3.14Å; L453-L473 HydrophobicContact CB-CD1 3.66Å; L470-L473 HydrophobicContact CB-CB 3.94Å; L470-L473 HydrophobicContact CB-CD2 4.45Å; L470-L473 HydrophobicContact CD1-CD2 4.06Å; L470-L473 PolarHBondContact O-N 2.75Å; L473-L476 HydrophobicContact CD2-CB 4.43Å; L473-L476 HydrophobicContact CD2-CD2 4.45Å; L473-F492 HydrophobicContact CB-CB 4.35Å; L473-F492 HydrophobicContact CD2-CB 4.18Å; L473-K494 CarbonylContact O-C 3.53Å; L473-M495 HydrophobicContact CD2-CE 3.5Å; L473-M495 HydrophobicContact CG-CE 3.77Å; L473-M495 PolarHBondContact O-N 2.7Å
474	S	96.9	Very high	91.9	Very high	33 Å²	33	56.4 Å²	56.4	23%	0.231	28%	0.277	C	S	.	.			trans	-116.7	-33.1	-176.9	62.3	0	0	0	0	112.5	E451 N472 T496 E497	E451-S474 PolarHBondContact O-N 2.8Å; E451-S474 PolarHBondContact O-OG 3.46Å; E451-S474 VanDerWaalsContact O-OG 3.11Å; N472-S474 PolarHBondContact O-N 3.35Å; S474-T496 PolarHBondContact O-N 3.12Å; S474-T496 PolarHBondContact O-OG1 3.33Å; S474-E497 PolarHBondContact O-N 2.92Å
475	S	98.1	Very high	92.1	Very high	13 Å²	13	57.5 Å²	57.5	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.2	176.6	177.2	0	0	0	0	111	E451 T452 L453 E497	E451-S475 PolarHBondContact O-N 2.84Å; T452-S475 WeakPolarHBondContact CA-O 3.2Å; L453-S475 PolarHBondContact N-O 2.93Å; S475-E497 WeakPolarHBondContact CA-O 2.98Å; S475-E497 WeakPolarHBondContact CB-OE2 3.3Å; S475-E497 PolarHBondContact OG-OE2 2.9Å
476	L	97.9	Very high	92.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	113.9	178	175.9	59	0	0	0	110.7	L453 L455 I463 L473 L478 M495 E497 L498 L499	L453-L476 HydrophobicContact CB-CD1 4.11Å; L453-L476 HydrophobicContact CD2-CD1 3.95Å; L453-L476 HydrophobicContact CG-CD1 4.04Å; L453-L476 WeakPolarHBondContact O-CA 3.36Å; L455-L476 HydrophobicContact CD1-CD1 4.32Å; I463-L476 HydrophobicContact CD1-CD2 4.06Å; L473-L476 HydrophobicContact CD2-CB 4.43Å; L473-L476 HydrophobicContact CD2-CD2 4.45Å; L476-L478 HydrophobicContact CD1-CD1 4.38Å; L476-L478 HydrophobicContact CD1-CG 4.06Å; L476-L478 HydrophobicContact CD2-CD1 3.7Å; L476-L478 HydrophobicContact CD2-CG 4.28Å; L476-L478 HydrophobicContact CG-CD1 3.89Å; L476-L478 HydrophobicContact CG-CG 3.93Å; L476-M495 HydrophobicContact CB-CE 3.59Å; L476-M495 HydrophobicContact CB-SD 3.94Å; L476-M495 HydrophobicContact CD2-CE 3.98Å; L476-M495 HydrophobicContact CG-CE 4.46Å; L476-E497 PolarHBondContact N-O 2.74Å; L476-L498 HydrophobicContact CB-CD1 4.26Å; L476-L498 HydrophobicContact CD2-CD1 4.12Å; L476-L498 HydrophobicContact CG-CD1 4.2Å; L476-L499 PolarHBondContact O-N 3.4Å
477	N	98.5	Very high	93.1	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.102	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.8	173.5	-175.8	4.8	0	0	0	110.5	L453 D454 L455 Q456 N479 L499	L453-N477 PolarHBondContact O-N 3.32Å; D454-N477 HydrophobicContact CB-CB 4.34Å; D454-N477 PolarHBondContact OD1-ND2 3.35Å; D454-N477 PolarHBondContact OD2-ND2 3.21Å; D454-N477 VanDerWaalsContact OD2-ND2 3.1Å; L455-N477 CarbonylContact C-O 3.5Å; L455-N477 WeakPolarHBondContact CA-O 3.21Å; L455-N477 PolarHBondContact N-O 3.18Å; Q456-N477 PolarHBondContact N-O 3.19Å; Q456-N477 PolarHBondContact OE1-ND2 3.32Å; N477-N479 VanDerWaalsContact OD1-CB 3.24Å; N477-N479 WeakPolarHBondContact OD1-CB 3.22Å; N477-N479 PolarHBondContact OD1-N 3.31Å; N477-N479 PolarHBondContact OD1-ND2 3.01Å; N477-N479 VanDerWaalsContact OD1-ND2 3.16Å; N477-L499 HydrophobicContact CB-CB 4.47Å; N477-L499 HydrophobicContact CB-CD1 4.08Å
478	L	97.9	Very high	94.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.			trans	-123.5	24	176.4	-75.4	168.3	0	0	0	111.4	F443 L455 I460 I463 L476 N481 L483 L498 L499 L500 N503	F443-L478 HydrophobicContact CZ-CD2 4.25Å; L455-L478 HydrophobicContact CB-CD2 3.81Å; L455-L478 HydrophobicContact CD1-CD2 4.22Å; I460-L478 HydrophobicContact CD1-CD2 3.67Å; I460-L478 HydrophobicContact CG2-CD2 4.45Å; I463-L478 HydrophobicContact CD1-CD1 3.6Å; I463-L478 HydrophobicContact CG1-CD1 4.31Å; L476-L478 HydrophobicContact CD1-CD1 4.38Å; L476-L478 HydrophobicContact CD1-CG 4.06Å; L476-L478 HydrophobicContact CD2-CD1 3.7Å; L476-L478 HydrophobicContact CD2-CG 4.28Å; L476-L478 HydrophobicContact CG-CD1 3.89Å; L476-L478 HydrophobicContact CG-CG 3.93Å; L478-N481 WeakPolarHBondContact O-CB 3.31Å; L478-N481 PolarHBondContact O-ND2 2.05Å; L478-N481 VanDerWaalsContact O-ND2 3.11Å; L478-L483 HydrophobicContact CB-CD1 4.13Å; L478-L483 HydrophobicContact CD1-CD1 4.33Å; L478-L483 HydrophobicContact CD1-CD2 4.49Å; L478-L498 HydrophobicContact CD1-CD1 4.42Å; L478-L499 CarbonylContact C-O 3.48Å; L478-L499 VanDerWaalsContact CA-O 3.3Å; L478-L499 WeakPolarHBondContact CA-O 3.31Å; L478-L499 WeakPolarHBondContact CB-O 2.97Å; L478-L499 PolarHBondContact N-O 3.1Å; L478-L500 HydrophobicContact CB-CD2 3.76Å; L478-L500 HydrophobicContact CD1-CD2 4.15Å; L478-N503 PolarHBondContact O-ND2 2.77Å
479	N	98.3	Very high	94.7	Very high	22 Å²	22	41.1 Å²	41.1	12%	0.118	20%	0.201	C	C	.	.			trans	-56.2	150.7	176.4	-68.3	-17.2	0	0	0	111.4	Q456 N457 N477 N481 L499 L500 K501	Q456-N479 CarbonylContact C-O 3.56Å; Q456-N479 WeakPolarHBondContact CA-O 3.47Å; Q456-N479 HydrophobicContact CB-CB 4.11Å; N457-N479 PolarHBondContact N-O 2.76Å; N477-N479 VanDerWaalsContact OD1-CB 3.24Å; N477-N479 WeakPolarHBondContact OD1-CB 3.22Å; N477-N479 PolarHBondContact OD1-N 3.31Å; N477-N479 PolarHBondContact OD1-ND2 3.01Å; N477-N479 VanDerWaalsContact OD1-ND2 3.16Å; N479-N481 PolarHBondContact O-N 3.28Å; N479-N481 PolarHBondContact O-ND2 3.15Å; N479-N481 VanDerWaalsContact O-ND2 3.11Å; N479-L499 PolarHBondContact N-O 2.95Å; N479-L499 VanDerWaalsContact OD1-CB 3.23Å; N479-L499 WeakPolarHBondContact OD1-CB 3.34Å; N479-L499 PolarHBondContact OD1-O 2.93Å; N479-L500 PolarHBondContact OD1-N 2.9Å; N479-L500 VanDerWaalsContact OD1-N 3.15Å; N479-K501 CarbonylContact C-O 3.56Å; N479-K501 VanDerWaalsContact CA-O 3.26Å; N479-K501 WeakPolarHBondContact CA-O 3.48Å; N479-K501 HydrophobicContact CB-CB 4.22Å; N479-K501 VanDerWaalsContact OD1-CB 3.24Å; N479-K501 WeakPolarHBondContact OD1-CB 3.41Å; N479-K501 PolarHBondContact OD1-N 2.8Å
480	A	98.2	Very high	94.9	Very high	41 Å²	41	39 Å²	39	34%	0.339	20%	0.195	S	C	.	.	S	Bend	trans	54.2	46.6	177	0	0	0	0	0	113.7	N457 K501 S502	N457-A480 VanDerWaalsContact CA-O 3.26Å; N457-A480 WeakPolarHBondContact CA-O 3.22Å; N457-A480 HydrophobicContact CB-CB 4.28Å; N457-A480 PolarHBondContact N-O 3.35Å; A480-K501 PolarHBondContact N-O 2.98Å; A480-S502 VanDerWaalsContact CA-O 3.29Å; A480-S502 WeakPolarHBondContact CA-O 3.4Å
481	N	98.4	Very high	94.8	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.048	20%	0.199	C	C	.	.	S	Bend	trans	-116.7	-162.5	173.7	-84.9	-82.4	0	0	0	110.3	L455 N458 I460 L478 N479 L483 N503	L455-N481 PolarHBondContact O-ND2 2.73Å; N458-N481 WeakPolarHBondContact CA-OD1 3.35Å; N458-N481 VanDerWaalsContact CB-OD1 3.26Å; N458-N481 WeakPolarHBondContact CB-OD1 3.26Å; N458-N481 PolarHBondContact N-OD1 2.83Å; N458-N481 PolarHBondContact O-OD1 3.02Å; N458-N481 VanDerWaalsContact O-OD1 3.12Å; I460-N481 HydrophobicContact CB-CB 4.4Å; I460-N481 WeakPolarHBondContact CB-OD1 3.33Å; I460-N481 PolarHBondContact N-OD1 2.73Å; L478-N481 WeakPolarHBondContact O-CB 3.31Å; L478-N481 PolarHBondContact O-ND2 2.05Å; L478-N481 VanDerWaalsContact O-ND2 3.11Å; N479-N481 PolarHBondContact O-N 3.28Å; N479-N481 PolarHBondContact O-ND2 3.15Å; N479-N481 VanDerWaalsContact O-ND2 3.11Å; N481-L483 HydrophobicContact CB-CD1 3.74Å; N481-N503 VanDerWaalsContact CA-OD1 3.31Å; N481-N503 WeakPolarHBondContact CA-OD1 3.35Å; N481-N503 WeakPolarHBondContact CB-OD1 3.45Å; N481-N503 PolarHBondContact N-OD1 2.99Å; N481-N503 PolarHBondContact O-OD1 3.07Å
482	R	97.2	Very high	94.8	Very high	130 Å²	130	35.4 Å²	35.4	49%	0.491	18%	0.176	S	C	.	.			trans	-117	24.4	-175.9	-58.1	178.7	-178.6	158.3	2.6	112.6	Q459 I460 N503	Q459-R482 VanDerWaalsContact OE1-NH1 3.15Å; I460-R482 CarbonylContact O-C 3.57Å; I460-R482 WeakPolarHBondContact O-CA 3.33Å; I460-R482 PolarHBondContact O-N 2.89Å; R482-N503 PolarHBondContact N-OD1 2.99Å
483	L	96.5	Very high	94.6	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	18%	0.179	C	C	.	.			trans	-66.2	135.2	-179.6	-73.4	104.1	0	0	0	111.2	I460 I463 L478 N481 L500 N503 S504 L505	I460-L483 HydrophobicContact CG2-CD1 4.43Å; I460-L483 PolarHBondContact O-N 2.91Å; I463-L483 HydrophobicContact CG1-CD2 4.42Å; L478-L483 HydrophobicContact CB-CD1 4.13Å; L478-L483 HydrophobicContact CD1-CD1 4.33Å; L478-L483 HydrophobicContact CD1-CD2 4.49Å; N481-L483 HydrophobicContact CB-CD1 3.74Å; L483-L500 HydrophobicContact CD1-CD2 4.06Å; L483-L500 HydrophobicContact CD2-CD2 4.15Å; L483-N503 HydrophobicContact CB-CB 4.41Å; L483-N503 WeakPolarHBondContact CB-OD1 3.46Å; L483-N503 VanDerWaalsContact CD1-OD1 3.22Å; L483-N503 WeakPolarHBondContact CD1-OD1 3Å; L483-N503 PolarHBondContact N-OD1 2.96Å; L483-S504 CarbonylContact O-C 3.17Å; L483-S504 WeakPolarHBondContact O-CA 3.42Å; L483-S504 WeakPolarHBondContact O-CB 3.47Å; L483-S504 PolarHBondContact O-N 2.83Å; L483-L505 HydrophobicContact CB-CD2 4.46Å; L483-L505 PolarHBondContact O-N 2.77Å
484	R	94	Very high	94.5	Very high	196 Å²	196	40.9 Å²	40.9	74%	0.74	20%	0.203	S	C	*	.			trans	-101.4	-19.7	-179.4	-65.1	-178.5	-179.8	165.3	0.5	114.4	S504	R484-S504 WeakPolarHBondContact CA-O 3.33Å
485	D	92.2	Very high	94.4	Very high	61 Å²	61	39.4 Å²	39.4	33%	0.326	19%	0.193	S	C	.	.	S	Bend	trans	-145.8	167.6	177.4	-160.2	2.9	0	0	0	110	P508 S509 N512	D485-P508 WeakPolarHBondContact OD1-CA 3.36Å; D485-S509 PolarHBondContact OD1-N 3.26Å; D485-S509 WeakPolarHBondContact OD2-CB 3.37Å; D485-N512 PolarHBondContact OD2-ND2 2.79Å
486	L	91.9	Very high	94.3	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	20%	0.202	C	C	.	.			trans	-66.7	136.6	177	-63.9	172.2	0	0	0	110.7	L500 L505 P508 N512 L513 L522	L486-L500 HydrophobicContact CD2-CD1 3.52Å; L486-L505 HydrophobicContact CD2-CD1 4.4Å; L486-P508 HydrophobicContact CD1-CB 3.8Å; L486-P508 HydrophobicContact CD2-CB 4.46Å; L486-P508 HydrophobicContact CG-CB 3.84Å; L486-N512 HydrophobicContact CB-CB 4.29Å; L486-N512 WeakPolarHBondContact O-CB 3.44Å; L486-N512 PolarHBondContact O-ND2 3.14Å; L486-L513 HydrophobicContact CD1-CB 4.26Å; L486-L522 HydrophobicContact CD2-CD1 4.32Å
487	P	91.4	Very high	94.3	Very high	12 Å²	12	43.6 Å²	43.6	8%	0.078	21%	0.214	C	C	.	.			trans	-70.7	165.8	174.6	32.3	-36	0	0	0	111.9	I463 F492 L498	I463-P487 HydrophobicContact CB-CB 4.37Å; I463-P487 HydrophobicContact CD1-CB 3.39Å; I463-P487 HydrophobicContact CD1-CG 3.86Å; I463-P487 HydrophobicContact CG1-CB 3.93Å; P487-F492 HydrophobicContact CB-CZ 4.31Å; P487-L498 HydrophobicContact CG-CD1 4.24Å; P487-L498 HydrophobicContact CG-CD2 3.71Å
488	V	90.4	Very high	94.2	Very high	41 Å²	41	42.8 Å²	42.8	25%	0.248	21%	0.21	C	C	.	.			trans	-105.2	133.2	179.6	174.8	0	0	0	0	109.8	D490 F492 N512 R515	V488-D490 HydrophobicContact CG1-CB 4.4Å; V488-D490 VanDerWaalsContact CG1-CG 3.48Å; V488-D490 WeakPolarHBondContact CG1-OD2 3.37Å; V488-D490 PolarHBondContact O-N 3.06Å; V488-F492 WeakPolarHBondContact O-CE1 3.47Å; V488-F492 WeakPolarHBondContact O-CZ 3.48Å; V488-N512 HydrophobicContact CG2-CB 3.92Å; V488-R515 HydrophobicContact CG1-CB 3.83Å; V488-R515 HydrophobicContact CG1-CG 4.34Å; V488-R515 VanDerWaalsContact CG1-NE 3.29Å
489	C	89.7	Confident	94.3	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.02	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-90.9	17.1	-173.3	-51.5	0	0	0	0	117.1	D491 F492 R515 C516	C489-D491 PolarHBondContact O-N 3.06Å; C489-F492 VanDerWaalsContact CA-CD2 3.41Å; C489-F492 HydrophobicContact CB-CD2 3.37Å; C489-F492 HydrophobicContact CB-CE2 3.45Å; C489-F492 VanDerWaalsContact CB-CE2 3.45Å; C489-F492 HydrophobicContact CB-CG 4.24Å; C489-F492 HydrophobicContact CB-CZ 4.27Å; C489-F492 CarbonylContact O-C 3.54Å; C489-F492 PolarHBondContact O-N 3.18Å; C489-F492 VanDerWaalsContact SG-CD2 3.56Å; C489-F492 WeakPolarHBondContact SG-CE2 3.41Å; C489-R515 WeakPolarHBondContact CB-O 3.47Å; C489-C516 HydrophobicContact CB-CB 3.77Å; C489-C516 WeakPolarHBondContact CB-SG 3.38Å; C489-C516 PolarHBondContact N-SG 2.86Å; C489-C516 VanDerWaalsContact N-SG 3.44Å; C489-C516 WeakPolarHBondContact SG-CB 3.48Å; C489-C516 CovalentContact SG-SG 2.02Å; C489-C516 PolarHBondContact SG-SG 3.37Å
490	D	89.7	Confident	94.2	Very high	67 Å²	67	43 Å²	43	36%	0.358	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-65.2	-26.1	-176.7	-51.4	-46	0	0	0	113.6	K469 V488 R515	K469-D490 PolarHBondContact NZ-O 3.37Å; V488-D490 HydrophobicContact CG1-CB 4.4Å; V488-D490 VanDerWaalsContact CG1-CG 3.48Å; V488-D490 WeakPolarHBondContact CG1-OD2 3.37Å; V488-D490 PolarHBondContact O-N 3.06Å; D490-R515 VanDerWaalsContact CG-NH2 3.32Å; D490-R515 IonicContact OD1-CZ 2.8Å; D490-R515 IonicContact OD1-NE 3.87Å; D490-R515 PolarHBondContact OD1-NE 2.88Å; D490-R515 IonicContact OD1-NH2 3.15Å; D490-R515 PolarHBondContact OD1-NH2 3.37Å; D490-R515 IonicContact OD2-CZ 2.56Å; D490-R515 IonicContact OD2-NE 3.98Å; D490-R515 PolarHBondContact OD2-NE 3.38Å; D490-R515 IonicContact OD2-NH1 3.97Å; D490-R515 IonicContact OD2-NH2 3.64Å; D490-R515 PolarHBondContact OD2-NH2 3.47Å
491	D	89.9	Confident	94.2	Very high	21 Å²	21	43.9 Å²	43.9	11%	0.112	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-93	-4.7	178.6	-68.2	-27.5	0	0	0	112.4	L466 K469 L470 C489	L466-D491 HydrophobicContact CB-CB 4.22Å; L466-D491 HydrophobicContact CD1-CB 3.85Å; L466-D491 HydrophobicContact CG-CB 3.9Å; L466-D491 PolarHBondContact N-OD2 3.02Å; K469-D491 VanDerWaalsContact CE-OD1 3.29Å; K469-D491 WeakPolarHBondContact CE-OD1 3.45Å; K469-D491 HydrophobicContact CG-CB 4.43Å; K469-D491 IonicContact NZ-OD1 3.19Å; L470-D491 PolarHBondContact N-O 3.33Å; C489-D491 PolarHBondContact O-N 3.06Å
492	F	92.2	Very high	94.1	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.026	22%	0.222	C	C	.	.			trans	-138.5	71.5	179.4	37.6	-84.4	0	0	0	110.9	I463 L473 P487 V488 C489 K494 M495	I463-F492 HydrophobicContact CD1-CZ 4.4Å; I463-F492 HydrophobicContact CG2-CE1 4.44Å; L473-F492 HydrophobicContact CB-CB 4.35Å; L473-F492 HydrophobicContact CD2-CB 4.18Å; P487-F492 HydrophobicContact CB-CZ 4.31Å; V488-F492 WeakPolarHBondContact O-CE1 3.47Å; V488-F492 WeakPolarHBondContact O-CZ 3.48Å; C489-F492 VanDerWaalsContact CA-CD2 3.41Å; C489-F492 HydrophobicContact CB-CD2 3.37Å; C489-F492 HydrophobicContact CB-CE2 3.45Å; C489-F492 VanDerWaalsContact CB-CE2 3.45Å; C489-F492 HydrophobicContact CB-CG 4.24Å; C489-F492 HydrophobicContact CB-CZ 4.27Å; C489-F492 CarbonylContact O-C 3.54Å; C489-F492 PolarHBondContact O-N 3.18Å; C489-F492 VanDerWaalsContact SG-CD2 3.56Å; C489-F492 WeakPolarHBondContact SG-CE2 3.41Å; F492-K494 VanDerWaalsContact C-N 3.28Å; F492-K494 PolarHBondContact O-N 3.04Å; F492-M495 HydrophobicContact CB-CE 3.93Å; F492-M495 HydrophobicContact CD2-CB 3.75Å; F492-M495 HydrophobicContact CD2-CE 3.24Å; F492-M495 HydrophobicContact CD2-CG 3.91Å; F492-M495 HydrophobicContact CD2-SD 4.42Å; F492-M495 HydrophobicContact CE2-CE 3.77Å; F492-M495 HydrophobicContact CE2-CG 4.33Å; F492-M495 HydrophobicContact CG-CE 3.76Å; F492-M495 WeakPolarHBondContact O-CB 3.18Å; F492-M495 PolarHBondContact O-N 3.15Å
493	P	91.1	Very high	94.2	Very high	58 Å²	58	40.2 Å²	40.2	38%	0.377	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.9	-168.9	27.6	-36.2	0	0	0	114.7	L471 N518	L471-P493 HydrophobicContact CD2-CG 4.16Å; P493-N518 PolarHBondContact O-ND2 2.99Å
494	K	94.4	Very high	94.2	Very high	117 Å²	117	41.9 Å²	41.9	51%	0.509	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	6.4	179.3	-71.4	-170.7	-172.3	166.2	0	113.9	L471 N472 L473 F492 T496	L471-K494 VanDerWaalsContact O-CD 3.3Å; L471-K494 WeakPolarHBondContact O-CD 3.46Å; L471-K494 WeakPolarHBondContact O-CG 3.45Å; N472-K494 PolarHBondContact OD1-NZ 3.42Å; N472-K494 VanDerWaalsContact OD1-NZ 3.09Å; L473-K494 CarbonylContact O-C 3.53Å; F492-K494 VanDerWaalsContact C-N 3.28Å; F492-K494 PolarHBondContact O-N 3.04Å; K494-T496 PolarHBondContact O-N 3.07Å
495	M	95.5	Very high	94.3	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	18%	0.178	C	C	.	.			trans	-58.1	122.2	-176.5	-172.9	65.2	71.4	0	0	112.2	L473 L476 F492 N518 L519	L473-M495 HydrophobicContact CD2-CE 3.5Å; L473-M495 HydrophobicContact CG-CE 3.77Å; L473-M495 PolarHBondContact O-N 2.7Å; L476-M495 HydrophobicContact CB-CE 3.59Å; L476-M495 HydrophobicContact CB-SD 3.94Å; L476-M495 HydrophobicContact CD2-CE 3.98Å; L476-M495 HydrophobicContact CG-CE 4.46Å; F492-M495 HydrophobicContact CB-CE 3.93Å; F492-M495 HydrophobicContact CD2-CB 3.75Å; F492-M495 HydrophobicContact CD2-CE 3.24Å; F492-M495 HydrophobicContact CD2-CG 3.91Å; F492-M495 HydrophobicContact CD2-SD 4.42Å; F492-M495 HydrophobicContact CE2-CE 3.77Å; F492-M495 HydrophobicContact CE2-CG 4.33Å; F492-M495 HydrophobicContact CG-CE 3.76Å; F492-M495 WeakPolarHBondContact O-CB 3.18Å; F492-M495 PolarHBondContact O-N 3.15Å; M495-N518 CarbonylContact O-C 3.55Å; M495-L519 HydrophobicContact CG-CD1 3.88Å; M495-L519 WeakPolarHBondContact O-CA 3.21Å; M495-L519 PolarHBondContact O-N 3.12Å
496	T	95.9	Very high	94.4	Very high	48 Å²	48	33.7 Å²	33.7	29%	0.294	18%	0.181	S	C	.	.			trans	-114.8	-29.6	178.7	50.1	0	0	0	0	112.8	S474 K494 K520 I521	S474-T496 PolarHBondContact O-N 3.12Å; S474-T496 PolarHBondContact O-OG1 3.33Å; K494-T496 PolarHBondContact O-N 3.07Å; T496-K520 WeakPolarHBondContact O-CA 3.42Å; T496-K520 PolarHBondContact O-N 3.47Å; T496-I521 PolarHBondContact O-N 3.09Å
497	E	97.3	Very high	94.4	Very high	54 Å²	54	35 Å²	35	25%	0.252	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.4	-176.5	177.6	176.8	-116.5	0	0	110.7	S474 S475 L476 L499 I521	S474-E497 PolarHBondContact O-N 2.92Å; S475-E497 WeakPolarHBondContact CA-O 2.98Å; S475-E497 WeakPolarHBondContact CB-OE2 3.3Å; S475-E497 PolarHBondContact OG-OE2 2.9Å; L476-E497 PolarHBondContact N-O 2.74Å; E497-L499 HydrophobicContact CG-CD2 3.88Å; E497-L499 HydrophobicContact CG-CG 4.2Å; E497-I521 WeakPolarHBondContact CA-O 3.41Å; E497-I521 HydrophobicContact CB-CB 4.2Å; E497-I521 HydrophobicContact CG-CB 4.05Å; E497-I521 HydrophobicContact CG-CG2 4.07Å
498	L	96.9	Very high	94.4	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	116	178.9	179.1	61.7	0	0	0	109.9	L476 L478 P487 L500 L519 I521 L522 D523	L476-L498 HydrophobicContact CB-CD1 4.26Å; L476-L498 HydrophobicContact CD2-CD1 4.12Å; L476-L498 HydrophobicContact CG-CD1 4.2Å; L478-L498 HydrophobicContact CD1-CD1 4.42Å; P487-L498 HydrophobicContact CG-CD1 4.24Å; P487-L498 HydrophobicContact CG-CD2 3.71Å; L498-L500 HydrophobicContact CD1-CD2 4.44Å; L498-L500 HydrophobicContact CD1-CG 4.28Å; L498-L500 HydrophobicContact CD2-CD1 3.88Å; L498-L500 HydrophobicContact CD2-CG 4.46Å; L498-L500 HydrophobicContact CG-CD1 3.98Å; L498-L500 HydrophobicContact CG-CG 4.03Å; L498-L519 HydrophobicContact CB-CD1 3.71Å; L498-L519 HydrophobicContact CB-CD2 4.44Å; L498-I521 PolarHBondContact N-O 3.23Å; L498-L522 HydrophobicContact CB-CD1 4.32Å; L498-L522 HydrophobicContact CD2-CD1 4.22Å; L498-L522 HydrophobicContact CG-CD1 4.26Å; L498-L522 WeakPolarHBondContact O-CA 3.5Å; L498-D523 PolarHBondContact O-N 3Å
499	L	98.3	Very high	94.2	Very high	27 Å²	27	34.3 Å²	34.3	14%	0.141	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.8	-179.2	-44.8	177.4	0	0	0	109.8	L476 N477 L478 N479 E497 D523 L557	L476-L499 PolarHBondContact O-N 3.4Å; N477-L499 HydrophobicContact CB-CB 4.47Å; N477-L499 HydrophobicContact CB-CD1 4.08Å; L478-L499 CarbonylContact C-O 3.48Å; L478-L499 VanDerWaalsContact CA-O 3.3Å; L478-L499 WeakPolarHBondContact CA-O 3.31Å; L478-L499 WeakPolarHBondContact CB-O 2.97Å; L478-L499 PolarHBondContact N-O 3.1Å; N479-L499 PolarHBondContact N-O 2.95Å; N479-L499 VanDerWaalsContact OD1-CB 3.23Å; N479-L499 WeakPolarHBondContact OD1-CB 3.34Å; N479-L499 PolarHBondContact OD1-O 2.93Å; E497-L499 HydrophobicContact CG-CD2 3.88Å; E497-L499 HydrophobicContact CG-CG 4.2Å; L499-D523 HydrophobicContact CB-CB 4.37Å; L499-D523 HydrophobicContact CD2-CB 3.79Å; L499-L557 HydrophobicContact CD2-CD1 4.17Å
500	L	97.5	Very high	94	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.			trans	-132.4	23.4	-175.6	-65.3	168.7	0	0	0	111.8	L478 N479 L483 L486 L498 N503 L505 L522 D523 N527	L478-L500 HydrophobicContact CB-CD2 3.76Å; L478-L500 HydrophobicContact CD1-CD2 4.15Å; N479-L500 PolarHBondContact OD1-N 2.9Å; N479-L500 VanDerWaalsContact OD1-N 3.15Å; L483-L500 HydrophobicContact CD1-CD2 4.06Å; L483-L500 HydrophobicContact CD2-CD2 4.15Å; L486-L500 HydrophobicContact CD2-CD1 3.52Å; L498-L500 HydrophobicContact CD1-CD2 4.44Å; L498-L500 HydrophobicContact CD1-CG 4.28Å; L498-L500 HydrophobicContact CD2-CD1 3.88Å; L498-L500 HydrophobicContact CD2-CG 4.46Å; L498-L500 HydrophobicContact CG-CD1 3.98Å; L498-L500 HydrophobicContact CG-CG 4.03Å; L500-N503 PolarHBondContact O-ND2 2.97Å; L500-L505 HydrophobicContact CB-CD1 4.15Å; L500-L505 HydrophobicContact CD1-CD1 4.35Å; L500-L522 HydrophobicContact CD1-CD1 4.19Å; L500-D523 CarbonylContact C-O 3.49Å; L500-D523 VanDerWaalsContact CA-O 3.29Å; L500-D523 WeakPolarHBondContact CA-O 3.32Å; L500-D523 WeakPolarHBondContact CB-O 3.49Å; L500-D523 PolarHBondContact N-O 2.02Å; L500-N527 PolarHBondContact O-ND2 3.16Å
501	K	97.5	Very high	93.9	Very high	59 Å²	59	42.7 Å²	42.7	26%	0.257	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	141.7	176.1	-178.2	-173.6	178.7	-153.6	0	110.9	N479 A480 N503 S525 D526	N479-K501 CarbonylContact C-O 3.56Å; N479-K501 VanDerWaalsContact CA-O 3.26Å; N479-K501 WeakPolarHBondContact CA-O 3.48Å; N479-K501 HydrophobicContact CB-CB 4.22Å; N479-K501 VanDerWaalsContact OD1-CB 3.24Å; N479-K501 WeakPolarHBondContact OD1-CB 3.41Å; N479-K501 PolarHBondContact OD1-N 2.8Å; A480-K501 PolarHBondContact N-O 2.98Å; K501-N503 PolarHBondContact O-N 3.11Å; K501-N503 PolarHBondContact O-ND2 2.99Å; K501-S525 CarbonylContact C-O 3.48Å; K501-S525 VanDerWaalsContact CA-O 3.27Å; K501-S525 WeakPolarHBondContact CA-O 3.46Å; K501-S525 WeakPolarHBondContact CG-OG 3.02Å; K501-D526 WeakPolarHBondContact CE-OD2 3.47Å; K501-D526 HydrophobicContact CG-CB 4.26Å; K501-D526 IonicContact NZ-OD2 3.56Å
502	S	97.7	Very high	93.8	Very high	51 Å²	51	43.4 Å²	43.4	36%	0.357	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	49	173.6	-54.8	0	0	0	0	113.8	A480 S525 D526	A480-S502 VanDerWaalsContact CA-O 3.29Å; A480-S502 WeakPolarHBondContact CA-O 3.4Å; S502-S525 PolarHBondContact N-O 3.05Å; S502-D526 WeakPolarHBondContact CA-O 3.48Å
503	N	98.2	Very high	93.5	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.053	23%	0.227	C	C	.	.	S	Bend	trans	-107.1	-160.4	173.5	-90.5	-85.3	0	0	0	110.6	L478 N481 R482 L483 L500 K501 L505 N527 P528	L478-N503 PolarHBondContact O-ND2 2.77Å; N481-N503 VanDerWaalsContact CA-OD1 3.31Å; N481-N503 WeakPolarHBondContact CA-OD1 3.35Å; N481-N503 WeakPolarHBondContact CB-OD1 3.45Å; N481-N503 PolarHBondContact N-OD1 2.99Å; N481-N503 PolarHBondContact O-OD1 3.07Å; R482-N503 PolarHBondContact N-OD1 2.99Å; L483-N503 HydrophobicContact CB-CB 4.41Å; L483-N503 WeakPolarHBondContact CB-OD1 3.46Å; L483-N503 VanDerWaalsContact CD1-OD1 3.22Å; L483-N503 WeakPolarHBondContact CD1-OD1 3Å; L483-N503 PolarHBondContact N-OD1 2.96Å; L500-N503 PolarHBondContact O-ND2 2.97Å; K501-N503 PolarHBondContact O-N 3.11Å; K501-N503 PolarHBondContact O-ND2 2.99Å; N503-L505 HydrophobicContact CB-CG 4.2Å; N503-N527 WeakPolarHBondContact CA-OD1 3.28Å; N503-N527 WeakPolarHBondContact CB-OD1 3.3Å; N503-N527 PolarHBondContact N-OD1 3.44Å; N503-N527 VanDerWaalsContact N-OD1 3.07Å; N503-N527 PolarHBondContact O-OD1 3.35Å; N503-N527 VanDerWaalsContact O-OD1 3.13Å; N503-P528 WeakPolarHBondContact O-CD 3.45Å
504	S	96.6	Very high	93.3	Very high	39 Å²	39	49.8 Å²	49.8	27%	0.273	25%	0.245	S	C	.	.			trans	-107.8	33.4	177	-54.6	0	0	0	0	112.5	L483 R484 H506 N527	L483-S504 CarbonylContact O-C 3.17Å; L483-S504 WeakPolarHBondContact O-CA 3.42Å; L483-S504 WeakPolarHBondContact O-CB 3.47Å; L483-S504 PolarHBondContact O-N 2.83Å; R484-S504 WeakPolarHBondContact CA-O 3.33Å; S504-H506 PolarHBondContact O-CD2 3.18Å; S504-H506 PolarHBondContact O-N 3.47Å; S504-N527 PolarHBondContact N-OD1 3.27Å
505	L	95.6	Very high	93.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.244	C	C	.	.			trans	-75.1	111.1	-177.8	-56.1	177.8	0	0	0	111.1	L483 L486 L500 N503 P508 A524 N527 P528 F529	L483-L505 HydrophobicContact CB-CD2 4.46Å; L483-L505 PolarHBondContact O-N 2.77Å; L486-L505 HydrophobicContact CD2-CD1 4.4Å; L500-L505 HydrophobicContact CB-CD1 4.15Å; L500-L505 HydrophobicContact CD1-CD1 4.35Å; N503-L505 HydrophobicContact CB-CG 4.2Å; L505-P508 HydrophobicContact CB-CG 4.12Å; L505-P508 HydrophobicContact CD1-CG 4.41Å; L505-A524 HydrophobicContact CD1-CB 4.13Å; L505-N527 HydrophobicContact CB-CB 3.9Å; L505-N527 VanDerWaalsContact CB-OD1 3.26Å; L505-N527 WeakPolarHBondContact CB-OD1 3.23Å; L505-N527 VanDerWaalsContact CG-OD1 3.25Å; L505-N527 WeakPolarHBondContact CG-OD1 3.45Å; L505-N527 PolarHBondContact N-OD1 3.45Å; L505-P528 CarbonylContact O-C 3.34Å; L505-F529 HydrophobicContact CB-CE1 4.45Å
506	H	94.3	Very high	92.8	Very high	85 Å²	85	50.6 Å²	50.6	39%	0.394	25%	0.246	S	C	.	.	S	Bend	trans	-92.1	-48.6	178	-73.9	-75.1	0	0	0	113.3	S504 P528 F529 T530	S504-H506 PolarHBondContact O-CD2 3.18Å; S504-H506 PolarHBondContact O-N 3.47Å; H506-P528 PolarHBondContact ND1-O 3.44Å; H506-F529 WeakPolarHBondContact O-CA 3.45Å; H506-T530 PolarHBondContact ND1-OG1 3.21Å; H506-T530 VanDerWaalsContact ND1-OG1 3.11Å; H506-T530 PolarHBondContact O-N 2.85Å
507	A	91.8	Very high	92.4	Very high	33 Å²	33	53.4 Å²	53.4	27%	0.273	27%	0.266	S	S	.	.	S	Bend	trans	-149	80.3	179.4	0	0	0	0	0	110.3	S509 P534 L535	A507-S509 PolarHBondContact O-N 3.11Å; A507-P534 HydrophobicContact CB-CB 3.83Å; A507-L535 HydrophobicContact CB-CB 4.34Å; A507-L535 HydrophobicContact CB-CD1 4.47Å
508	P	91.6	Very high	92.2	Very high	3 Å²	3	55 Å²	55	2%	0.019	28%	0.276	C	S	.	.			trans	-49.8	127.2	-179.2	-33.4	39.3	0	0	0	114.6	D485 L486 L505 L510 F529 F538	D485-P508 WeakPolarHBondContact OD1-CA 3.36Å; L486-P508 HydrophobicContact CD1-CB 3.8Å; L486-P508 HydrophobicContact CD2-CB 4.46Å; L486-P508 HydrophobicContact CG-CB 3.84Å; L505-P508 HydrophobicContact CB-CG 4.12Å; L505-P508 HydrophobicContact CD1-CG 4.41Å; P508-L510 PolarHBondContact O-N 2.79Å; P508-F529 HydrophobicContact CG-CE1 3.93Å; P508-F538 HydrophobicContact CB-CD2 3.66Å; P508-F538 HydrophobicContact CB-CE2 3.9Å; P508-F538 HydrophobicContact CB-CG 4.1Å; P508-F538 HydrophobicContact CG-CD1 4.39Å; P508-F538 HydrophobicContact CG-CD2 4.11Å; P508-F538 HydrophobicContact CG-CE1 4.4Å; P508-F538 HydrophobicContact CG-CE2 4.12Å; P508-F538 HydrophobicContact CG-CG 4.25Å; P508-F538 HydrophobicContact CG-CZ 4.26Å
509	S	86.3	Confident	92	Very high	34 Å²	34	55.3 Å²	55.3	24%	0.238	28%	0.278	C	S	.	.			trans	-80.1	116.3	177.1	179.4	0	0	0	0	111.8	D485 A507 R511 N512	D485-S509 PolarHBondContact OD1-N 3.26Å; D485-S509 WeakPolarHBondContact OD2-CB 3.37Å; A507-S509 PolarHBondContact O-N 3.11Å; S509-R511 PolarHBondContact O-N 3.39Å; S509-R511 VanDerWaalsContact O-N 3.07Å; S509-R511 PolarHBondContact OG-N 3.3Å; S509-N512 PolarHBondContact O-N 3.05Å
510	L	86.8	Confident	91.7	Very high	44 Å²	44	60.3 Å²	60.3	23%	0.23	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-13.6	173.5	-65.1	-169.8	0	0	0	113.9	P508 N512 L513 K514 H537 F538 L541	P508-L510 PolarHBondContact O-N 2.79Å; L510-N512 VanDerWaalsContact C-N 3.3Å; L510-L513 HydrophobicContact CD2-CD2 4.03Å; L510-L513 PolarHBondContact O-N 2.87Å; L510-K514 WeakPolarHBondContact O-CG 3.48Å; L510-K514 PolarHBondContact O-N 3.28Å; L510-K514 VanDerWaalsContact O-N 3.13Å; L510-H537 HydrophobicContact CD1-CB 3.69Å; L510-H537 HydrophobicContact CG-CB 4.12Å; L510-F538 HydrophobicContact CD2-CD2 4.21Å; L510-L541 HydrophobicContact CD2-CB 4.31Å; L510-L541 HydrophobicContact CD2-CD2 3.72Å
511	R	87.5	Confident	91.6	Very high	202 Å²	202	62.5 Å²	62.5	76%	0.762	31%	0.309	S	S	*	.	H	α-helix	trans	-65.7	-36.8	176.9	-64	-175	-177.1	-164	1.3	111.3	S509	S509-R511 PolarHBondContact O-N 3.39Å; S509-R511 VanDerWaalsContact O-N 3.07Å; S509-R511 PolarHBondContact OG-N 3.3Å
512	N	86	Confident	91.5	Very high	36 Å²	36	59.7 Å²	59.7	19%	0.193	30%	0.297	C	S	.	.	H	α-helix	trans	-72.5	-40.5	179.1	-61.9	-6.4	0	0	0	110.2	D485 L486 V488 S509 L510 K514 R515	D485-N512 PolarHBondContact OD2-ND2 2.79Å; L486-N512 HydrophobicContact CB-CB 4.29Å; L486-N512 WeakPolarHBondContact O-CB 3.44Å; L486-N512 PolarHBondContact O-ND2 3.14Å; V488-N512 HydrophobicContact CG2-CB 3.92Å; S509-N512 PolarHBondContact O-N 3.05Å; L510-N512 VanDerWaalsContact C-N 3.3Å; N512-K514 VanDerWaalsContact C-N 3.29Å; N512-K514 PolarHBondContact O-N 2.68Å; N512-R515 WeakPolarHBondContact O-CA 3.46Å; N512-R515 WeakPolarHBondContact O-CB 3.18Å; N512-R515 PolarHBondContact O-N 3.14Å
513	L	86.5	Confident	91.5	Very high	24 Å²	24	57.8 Å²	57.8	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-35.6	175.6	-168.9	67.1	0	0	0	113.1	L486 L510 R515 C516 L519 L522 L541 L554	L486-L513 HydrophobicContact CD1-CB 4.26Å; L510-L513 HydrophobicContact CD2-CD2 4.03Å; L510-L513 PolarHBondContact O-N 2.87Å; L513-R515 PolarHBondContact O-N 3.2Å; L513-C516 WeakPolarHBondContact O-CA 3.21Å; L513-C516 VanDerWaalsContact O-CB 3.31Å; L513-C516 WeakPolarHBondContact O-CB 3.27Å; L513-C516 PolarHBondContact O-N 3.12Å; L513-L519 HydrophobicContact CD1-CD2 3.5Å; L513-L519 VanDerWaalsContact CD1-CD2 3.5Å; L513-L522 HydrophobicContact CD1-CD2 4.37Å; L513-L541 HydrophobicContact CD2-CD2 3.44Å; L513-L541 VanDerWaalsContact CD2-CD2 3.44Å; L513-L554 HydrophobicContact CD1-CD2 4.48Å; L513-L554 HydrophobicContact CD2-CD2 3.9Å
514	K	86.9	Confident	91.4	Very high	174 Å²	174	57.3 Å²	57.3	76%	0.757	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.4	173.9	-74.6	-177.9	-178.5	-171.4	0	113.7	L510 N512	L510-K514 WeakPolarHBondContact O-CG 3.48Å; L510-K514 PolarHBondContact O-N 3.28Å; L510-K514 VanDerWaalsContact O-N 3.13Å; N512-K514 VanDerWaalsContact C-N 3.29Å; N512-K514 PolarHBondContact O-N 2.68Å
515	R	89.9	Confident	91.4	Very high	128 Å²	128	55.4 Å²	55.4	48%	0.483	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.7	174.1	-57.8	176.6	73.9	166.7	17.6	112.3	V488 C489 D490 N512 L513 P517	V488-R515 HydrophobicContact CG1-CB 3.83Å; V488-R515 HydrophobicContact CG1-CG 4.34Å; V488-R515 VanDerWaalsContact CG1-NE 3.29Å; C489-R515 WeakPolarHBondContact CB-O 3.47Å; D490-R515 VanDerWaalsContact CG-NH2 3.32Å; D490-R515 IonicContact OD1-CZ 2.8Å; D490-R515 IonicContact OD1-NE 3.87Å; D490-R515 PolarHBondContact OD1-NE 2.88Å; D490-R515 IonicContact OD1-NH2 3.15Å; D490-R515 PolarHBondContact OD1-NH2 3.37Å; D490-R515 IonicContact OD2-CZ 2.56Å; D490-R515 IonicContact OD2-NE 3.98Å; D490-R515 PolarHBondContact OD2-NE 3.38Å; D490-R515 IonicContact OD2-NH1 3.97Å; D490-R515 IonicContact OD2-NH2 3.64Å; D490-R515 PolarHBondContact OD2-NH2 3.47Å; N512-R515 WeakPolarHBondContact O-CA 3.46Å; N512-R515 WeakPolarHBondContact O-CB 3.18Å; N512-R515 PolarHBondContact O-N 3.14Å; L513-R515 PolarHBondContact O-N 3.2Å; R515-P517 VanDerWaalsContact C-CD 3.41Å; R515-P517 WeakPolarHBondContact O-CD 3.47Å
516	C	89.9	Confident	91.5	Very high	9 Å²	9	59.1 Å²	59.1	6%	0.061	29%	0.287	C	S	.	.			trans	-117.3	67.1	174.7	-58.6	0	0	0	0	110	C489 L513 N518 L519	C489-C516 HydrophobicContact CB-CB 3.77Å; C489-C516 WeakPolarHBondContact CB-SG 3.38Å; C489-C516 PolarHBondContact N-SG 2.86Å; C489-C516 VanDerWaalsContact N-SG 3.44Å; C489-C516 WeakPolarHBondContact SG-CB 3.48Å; C489-C516 CovalentContact SG-SG 2.02Å; C489-C516 PolarHBondContact SG-SG 3.37Å; L513-C516 WeakPolarHBondContact O-CA 3.21Å; L513-C516 VanDerWaalsContact O-CB 3.31Å; L513-C516 WeakPolarHBondContact O-CB 3.27Å; L513-C516 PolarHBondContact O-N 3.12Å; C516-N518 VanDerWaalsContact C-N 3.28Å; C516-N518 PolarHBondContact O-N 3.04Å; C516-L519 HydrophobicContact CB-CB 4.06Å; C516-L519 WeakPolarHBondContact O-CB 3.3Å; C516-L519 PolarHBondContact O-N 3.33Å
517	P	87.8	Confident	91.6	Very high	108 Å²	108	55.6 Å²	55.6	70%	0.701	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.2	-168.3	28	-36.5	0	0	0	114.3	R515	R515-P517 VanDerWaalsContact C-CD 3.41Å; R515-P517 WeakPolarHBondContact O-CD 3.47Å
518	N	92	Very high	91.8	Very high	87 Å²	87	55.5 Å²	55.5	47%	0.465	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	1.6	-177.6	-65.5	-42.5	0	0	0	113.4	P493 M495 C516 K520	P493-N518 PolarHBondContact O-ND2 2.99Å; M495-N518 CarbonylContact O-C 3.55Å; C516-N518 VanDerWaalsContact C-N 3.28Å; C516-N518 PolarHBondContact O-N 3.04Å; N518-K520 PolarHBondContact O-N 2.7Å
519	L	93.2	Very high	92	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.047	27%	0.267	C	S	.	.			trans	-68.3	125.5	-176.4	-168.1	74.9	0	0	0	110.2	M495 L498 L513 C516 L522 L554	M495-L519 HydrophobicContact CG-CD1 3.88Å; M495-L519 WeakPolarHBondContact O-CA 3.21Å; M495-L519 PolarHBondContact O-N 3.12Å; L498-L519 HydrophobicContact CB-CD1 3.71Å; L498-L519 HydrophobicContact CB-CD2 4.44Å; L513-L519 HydrophobicContact CD1-CD2 3.5Å; L513-L519 VanDerWaalsContact CD1-CD2 3.5Å; C516-L519 HydrophobicContact CB-CB 4.06Å; C516-L519 WeakPolarHBondContact O-CB 3.3Å; C516-L519 PolarHBondContact O-N 3.33Å; L519-L522 HydrophobicContact CD2-CB 4.26Å; L519-L554 HydrophobicContact CB-CD1 4.22Å; L519-L554 HydrophobicContact CD2-CD1 3.86Å; L519-L554 HydrophobicContact CG-CD1 3.82Å; L519-L554 WeakPolarHBondContact O-CD1 3.31Å
520	K	93.1	Very high	92.4	Very high	131 Å²	131	55.2 Å²	55.2	57%	0.57	27%	0.265	S	S	*	.			trans	-111.3	-34.1	-179.1	-64.4	-177.2	-178.2	178.2	0	112.5	T496 N518 L554 E555	T496-K520 WeakPolarHBondContact O-CA 3.42Å; T496-K520 PolarHBondContact O-N 3.47Å; N518-K520 PolarHBondContact O-N 2.7Å; K520-L554 CarbonylContact O-C 3.19Å; K520-L554 WeakPolarHBondContact O-CA 3.32Å; K520-E555 PolarHBondContact O-N 3.46Å
521	I	95.4	Very high	92.7	Very high	47 Å²	47	53.2 Å²	53.2	24%	0.241	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.3	-176.4	-59.5	175.7	0	0	0	108.7	T496 E497 L498 L557	T496-I521 PolarHBondContact O-N 3.09Å; E497-I521 WeakPolarHBondContact CA-O 3.41Å; E497-I521 HydrophobicContact CB-CB 4.2Å; E497-I521 HydrophobicContact CG-CB 4.05Å; E497-I521 HydrophobicContact CG-CG2 4.07Å; L498-I521 PolarHBondContact N-O 3.23Å; I521-L557 HydrophobicContact CG2-CD1 3.64Å; I521-L557 HydrophobicContact CG2-CD2 3.96Å; I521-L557 HydrophobicContact CG2-CG 3.65Å
522	L	95.5	Very high	92.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	117.2	173.9	175.8	62.9	0	0	0	109.8	L486 L498 L500 L513 L519 F538 L554 E555 L556 L557	L486-L522 HydrophobicContact CD2-CD1 4.32Å; L498-L522 HydrophobicContact CB-CD1 4.32Å; L498-L522 HydrophobicContact CD2-CD1 4.22Å; L498-L522 HydrophobicContact CG-CD1 4.26Å; L498-L522 WeakPolarHBondContact O-CA 3.5Å; L500-L522 HydrophobicContact CD1-CD1 4.19Å; L513-L522 HydrophobicContact CD1-CD2 4.37Å; L519-L522 HydrophobicContact CD2-CB 4.26Å; L522-F538 HydrophobicContact CD2-CE2 4.41Å; L522-L554 HydrophobicContact CB-CD1 4.19Å; L522-E555 PolarHBondContact N-O 2.83Å; L522-L556 VanDerWaalsContact O-CA 3.3Å; L522-L556 WeakPolarHBondContact O-CA 3.42Å; L522-L557 PolarHBondContact O-N 3.4Å
523	D	97	Very high	92.9	Very high	10 Å²	10	46 Å²	46	5%	0.053	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.1	165.1	-168.6	-13.9	0	0	0	108.8	L498 L499 L500 S525 L557	L498-D523 PolarHBondContact O-N 3Å; L499-D523 HydrophobicContact CB-CB 4.37Å; L499-D523 HydrophobicContact CD2-CB 3.79Å; L500-D523 CarbonylContact C-O 3.49Å; L500-D523 VanDerWaalsContact CA-O 3.29Å; L500-D523 WeakPolarHBondContact CA-O 3.32Å; L500-D523 WeakPolarHBondContact CB-O 3.49Å; L500-D523 PolarHBondContact N-O 2.02Å; D523-S525 VanDerWaalsContact OD1-CB 3.25Å; D523-S525 WeakPolarHBondContact OD1-CB 3.43Å; D523-S525 PolarHBondContact OD1-N 2.93Å; D523-S525 PolarHBondContact OD1-OG 2.66Å; D523-L557 HydrophobicContact CB-CB 4.05Å; D523-L557 HydrophobicContact CB-CD1 4.17Å; D523-L557 HydrophobicContact CB-CG 4.44Å
524	A	96.4	Very high	93	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.			trans	-127.6	21.6	171	0	0	0	0	0	111.2	L505 N527 F529 F538 Y563	L505-A524 HydrophobicContact CD1-CB 4.13Å; A524-N527 PolarHBondContact O-ND2 3.48Å; A524-F529 HydrophobicContact CB-CZ 4.43Å; A524-F529 VanDerWaalsContact O-CZ 3.22Å; A524-F529 WeakPolarHBondContact O-CZ 3.47Å; A524-F538 HydrophobicContact CB-CZ 4.08Å; A524-Y563 HydrophobicContact CB-CE1 4Å; A524-Y563 PolarHBondContact N-OH 2.73Å; A524-Y563 VanDerWaalsContact N-OH 3.16Å
525	S	96.5	Very high	93.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.			trans	-62.8	161.6	179.8	60.8	0	0	0	0	112.3	K501 S502 D523 N527 G562	K501-S525 CarbonylContact C-O 3.48Å; K501-S525 VanDerWaalsContact CA-O 3.27Å; K501-S525 WeakPolarHBondContact CA-O 3.46Å; K501-S525 WeakPolarHBondContact CG-OG 3.02Å; S502-S525 PolarHBondContact N-O 3.05Å; D523-S525 VanDerWaalsContact OD1-CB 3.25Å; D523-S525 WeakPolarHBondContact OD1-CB 3.43Å; D523-S525 PolarHBondContact OD1-N 2.93Å; D523-S525 PolarHBondContact OD1-OG 2.66Å; S525-N527 PolarHBondContact O-N 3.17Å; S525-N527 PolarHBondContact O-ND2 3.05Å; S525-G562 CarbonylContact C-O 3.59Å; S525-G562 VanDerWaalsContact CA-O 3.32Å; S525-G562 WeakPolarHBondContact CA-O 3.46Å; S525-G562 WeakPolarHBondContact CB-O 3.14Å
526	D	96.8	Very high	93.2	Very high	78 Å²	78	37.5 Å²	37.5	42%	0.417	21%	0.208	S	C	.	.	S	Bend	trans	56.4	33.9	176.3	-59.2	-32.8	0	0	0	114.3	K501 S502 G562	K501-D526 WeakPolarHBondContact CE-OD2 3.47Å; K501-D526 HydrophobicContact CG-CB 4.26Å; K501-D526 IonicContact NZ-OD2 3.56Å; S502-D526 WeakPolarHBondContact CA-O 3.48Å; D526-G562 PolarHBondContact N-O 3.46Å
527	N	97.6	Very high	93.1	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.053	23%	0.231	C	C	.	.			trans	-102.6	152.3	175.4	-85.9	-86.7	0	0	0	112.3	L500 N503 S504 L505 A524 S525 F529	L500-N527 PolarHBondContact O-ND2 3.16Å; N503-N527 WeakPolarHBondContact CA-OD1 3.28Å; N503-N527 WeakPolarHBondContact CB-OD1 3.3Å; N503-N527 PolarHBondContact N-OD1 3.44Å; N503-N527 VanDerWaalsContact N-OD1 3.07Å; N503-N527 PolarHBondContact O-OD1 3.35Å; N503-N527 VanDerWaalsContact O-OD1 3.13Å; S504-N527 PolarHBondContact N-OD1 3.27Å; L505-N527 HydrophobicContact CB-CB 3.9Å; L505-N527 VanDerWaalsContact CB-OD1 3.26Å; L505-N527 WeakPolarHBondContact CB-OD1 3.23Å; L505-N527 VanDerWaalsContact CG-OD1 3.25Å; L505-N527 WeakPolarHBondContact CG-OD1 3.45Å; L505-N527 PolarHBondContact N-OD1 3.45Å; A524-N527 PolarHBondContact O-ND2 3.48Å; S525-N527 PolarHBondContact O-N 3.17Å; S525-N527 PolarHBondContact O-ND2 3.05Å; N527-F529 VanDerWaalsContact C-N 3.25Å; N527-F529 HydrophobicContact CB-CD2 4.23Å; N527-F529 HydrophobicContact CB-CE1 4.11Å; N527-F529 HydrophobicContact CB-CE2 3.74Å; N527-F529 HydrophobicContact CB-CZ 3.69Å; N527-F529 VanDerWaalsContact O-CD2 3.23Å; N527-F529 WeakPolarHBondContact O-CD2 3.25Å; N527-F529 PolarHBondContact O-N 2.96Å
528	P	96.2	Very high	93.3	Very high	31 Å²	31	37.7 Å²	37.7	20%	0.201	20%	0.198	C	C	.	.			trans	-78.5	65.6	-176.3	33.8	-37.9	0	0	0	112.7	N503 L505 H506 T530 I566	N503-P528 WeakPolarHBondContact O-CD 3.45Å; L505-P528 CarbonylContact O-C 3.34Å; H506-P528 PolarHBondContact ND1-O 3.44Å; P528-T530 PolarHBondContact O-N 2.98Å; P528-I566 HydrophobicContact CB-CD1 4.06Å; P528-I566 HydrophobicContact CB-CG2 4.07Å; P528-I566 WeakPolarHBondContact O-CG2 3.45Å
529	F	95.8	Very high	93.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.2	-173.9	-64.8	-68.6	0	0	0	113.4	L505 H506 P508 A524 N527 C531 L535 F538 Y563 I566 L576	L505-F529 HydrophobicContact CB-CE1 4.45Å; H506-F529 WeakPolarHBondContact O-CA 3.45Å; P508-F529 HydrophobicContact CG-CE1 3.93Å; A524-F529 HydrophobicContact CB-CZ 4.43Å; A524-F529 VanDerWaalsContact O-CZ 3.22Å; A524-F529 WeakPolarHBondContact O-CZ 3.47Å; N527-F529 VanDerWaalsContact C-N 3.25Å; N527-F529 HydrophobicContact CB-CD2 4.23Å; N527-F529 HydrophobicContact CB-CE1 4.11Å; N527-F529 HydrophobicContact CB-CE2 3.74Å; N527-F529 HydrophobicContact CB-CZ 3.69Å; N527-F529 VanDerWaalsContact O-CD2 3.23Å; N527-F529 WeakPolarHBondContact O-CD2 3.25Å; N527-F529 PolarHBondContact O-N 2.96Å; F529-C531 PolarHBondContact O-N 3.12Å; F529-L535 HydrophobicContact CB-CD2 3.83Å; F529-L535 HydrophobicContact CD1-CD1 3.74Å; F529-L535 HydrophobicContact CE1-CD1 4.41Å; F529-L535 HydrophobicContact CG-CD1 4.48Å; F529-L535 HydrophobicContact CG-CD2 4.47Å; F529-F538 HydrophobicContact CE1-CD1 4.27Å; F529-F538 AromaticContact CE1-CE1 3.85Å; F529-F538 HydrophobicContact CE1-CE1 3.85Å; F529-F538 AromaticContact CZ-CE1 3.96Å; F529-F538 HydrophobicContact CZ-CE1 3.96Å; F529-Y563 HydrophobicContact CD2-CD1 4.46Å; F529-Y563 AromaticContact CE2-CD1 3.49Å; F529-Y563 HydrophobicContact CE2-CD1 3.49Å; F529-Y563 VanDerWaalsContact CE2-CD1 3.49Å; F529-Y563 HydrophobicContact CE2-CE1 4.15Å; F529-Y563 HydrophobicContact CE2-CG 4.3Å; F529-Y563 AromaticContact CZ-CD1 3.68Å; F529-Y563 HydrophobicContact CZ-CD1 3.68Å; F529-Y563 AromaticContact CZ-CE1 3.95Å; F529-Y563 HydrophobicContact CZ-CE1 3.95Å; F529-I566 WeakPolarHBondContact O-CG2 3.31Å; F529-I566 PolarHBondContact O-N 3.41Å; F529-L576 HydrophobicContact CB-CD1 4.35Å; F529-L576 HydrophobicContact CB-CD2 4.15Å; F529-L576 HydrophobicContact CD1-CD1 4.38Å; F529-L576 HydrophobicContact CD2-CD1 3.88Å; F529-L576 HydrophobicContact CE2-CD1 4.22Å; F529-L576 HydrophobicContact CG-CD1 3.95Å
530	T	94.6	Very high	93	Very high	32 Å²	32	41.1 Å²	41.1	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	98.4	176.4	-56.7	0	0	0	0	109	H506 P528 T532 Y567	H506-T530 PolarHBondContact ND1-OG1 3.21Å; H506-T530 VanDerWaalsContact ND1-OG1 3.11Å; H506-T530 PolarHBondContact O-N 2.85Å; P528-T530 PolarHBondContact O-N 2.98Å; T530-T532 HydrophobicContact CG2-CG2 3.96Å; T530-T532 PolarHBondContact O-N 3.1Å; T530-T532 PolarHBondContact O-OG1 2.98Å; T530-Y567 CarbonylContact C-O 3.6Å; T530-Y567 HydrophobicContact CG2-CD1 3.65Å; T530-Y567 HydrophobicContact CG2-CE1 4.46Å; T530-Y567 HydrophobicContact CG2-CG 4.39Å
531	C	92.1	Very high	92.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	18%	0.181	C	C	.	.			trans	-72.4	71.4	-176.8	-66.8	0	0	0	0	112.4	F529 L535 C565 Y567 P568 L576 F579	F529-C531 PolarHBondContact O-N 3.12Å; C531-L535 HydrophobicContact CB-CD2 4.49Å; C531-C565 HydrophobicContact CB-CB 3.82Å; C531-C565 WeakPolarHBondContact CB-SG 3.29Å; C531-C565 WeakPolarHBondContact SG-CA 3.03Å; C531-C565 WeakPolarHBondContact SG-CB 3.48Å; C531-C565 CovalentContact SG-SG 2.01Å; C531-C565 PolarHBondContact SG-SG 3.3Å; C531-Y567 WeakPolarHBondContact CA-O 3.42Å; C531-Y567 WeakPolarHBondContact CB-O 3.38Å; C531-Y567 PolarHBondContact N-O 3Å; C531-P568 VanDerWaalsContact O-CD 3.27Å; C531-P568 WeakPolarHBondContact O-CD 3.43Å; C531-L576 WeakPolarHBondContact SG-CD2 3.47Å; C531-F579 HydrophobicContact CB-CD1 3.83Å; C531-F579 HydrophobicContact CB-CE1 3.62Å; C531-F579 HydrophobicContact CB-CG 4.37Å; C531-F579 HydrophobicContact CB-CZ 4.07Å; C531-F579 WeakPolarHBondContact O-CE1 3.47Å; C531-F579 WeakPolarHBondContact O-CZ 3.15Å
532	T	89.6	Confident	92.5	Very high	47 Å²	47	33.4 Å²	33.4	29%	0.288	17%	0.17	S	C	.	.	S	Bend	trans	-130.4	176.9	177	53.7	0	0	0	0	108.8	T530 P534 L535 Y567	T530-T532 HydrophobicContact CG2-CG2 3.96Å; T530-T532 PolarHBondContact O-N 3.1Å; T530-T532 PolarHBondContact O-OG1 2.98Å; T532-P534 VanDerWaalsContact C-N 3.32Å; T532-P534 VanDerWaalsContact O-N 3.14Å; T532-P534 WeakPolarHBondContact OG1-CD 3.28Å; T532-L535 PolarHBondContact O-N 3.1Å; T532-Y567 HydrophobicContact CG2-CD1 4.29Å; T532-Y567 HydrophobicContact CG2-CE1 4.13Å
533	C	88.3	Confident	92.1	Very high	40 Å²	40	35.5 Å²	35.5	27%	0.27	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-49.3	-37.7	-176.7	-73.3	0	0	0	0	116.6	L535 R536 C586	C533-L535 VanDerWaalsContact C-N 3.31Å; C533-L535 PolarHBondContact O-N 3.14Å; C533-R536 VanDerWaalsContact O-CB 3.28Å; C533-R536 WeakPolarHBondContact O-CB 3.48Å; C533-R536 PolarHBondContact O-N 3.39Å; C533-C586 VanDerWaalsContact CA-SG 3.54Å; C533-C586 HydrophobicContact CB-CB 3.54Å; C533-C586 WeakPolarHBondContact CB-SG 3.3Å; C533-C586 WeakPolarHBondContact SG-CA 3.37Å; C533-C586 WeakPolarHBondContact SG-CB 3.48Å; C533-C586 CovalentContact SG-SG 2.04Å; C533-C586 PolarHBondContact SG-SG 3.48Å
534	P	88.7	Confident	91.6	Very high	84 Å²	84	38.7 Å²	38.7	55%	0.545	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-57.7	-37.2	175.5	-28	37.2	0	0	0	114.6	A507 T532 R536	A507-P534 HydrophobicContact CB-CB 3.83Å; T532-P534 VanDerWaalsContact C-N 3.32Å; T532-P534 VanDerWaalsContact O-N 3.14Å; T532-P534 WeakPolarHBondContact OG1-CD 3.28Å; P534-R536 VanDerWaalsContact C-N 3.3Å; P534-R536 PolarHBondContact O-N 3.42Å
535	L	91.6	Very high	91	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-75.1	-19.2	-176.2	-172.3	68.6	0	0	0	113	A507 F529 C531 T532 C533 H537 F538 I539 L576	A507-L535 HydrophobicContact CB-CB 4.34Å; A507-L535 HydrophobicContact CB-CD1 4.47Å; F529-L535 HydrophobicContact CB-CD2 3.83Å; F529-L535 HydrophobicContact CD1-CD1 3.74Å; F529-L535 HydrophobicContact CE1-CD1 4.41Å; F529-L535 HydrophobicContact CG-CD1 4.48Å; F529-L535 HydrophobicContact CG-CD2 4.47Å; C531-L535 HydrophobicContact CB-CD2 4.49Å; T532-L535 PolarHBondContact O-N 3.1Å; C533-L535 VanDerWaalsContact C-N 3.31Å; C533-L535 PolarHBondContact O-N 3.14Å; L535-H537 PolarHBondContact O-N 3.13Å; L535-F538 HydrophobicContact CD1-CB 4.06Å; L535-F538 HydrophobicContact CD1-CD1 4.02Å; L535-F538 HydrophobicContact CD1-CG 4.38Å; L535-F538 WeakPolarHBondContact O-CA 3.48Å; L535-F538 WeakPolarHBondContact O-CB 2.96Å; L535-F538 PolarHBondContact O-N 3.35Å; L535-I539 HydrophobicContact CD2-CD1 4.19Å; L535-I539 HydrophobicContact CD2-CG1 4.35Å; L535-I539 HydrophobicContact CG-CD1 4.25Å; L535-I539 HydrophobicContact CG-CG1 4.08Å; L535-I539 PolarHBondContact O-N 2.79Å; L535-I539 VanDerWaalsContact O-N 3.1Å; L535-L576 HydrophobicContact CD2-CD1 4.17Å; L535-L576 HydrophobicContact CD2-CD2 3.81Å
536	R	88.8	Confident	90.2	Very high	63 Å²	63	44.1 Å²	44.1	24%	0.238	22%	0.222	C	C	.	.	H	α-helix	trans	-48.8	-42.5	-175	-176.2	-162.1	170.5	135.4	-13.2	113.7	C533 P534 F538 I539 R540 I581 P582 E583	C533-R536 VanDerWaalsContact O-CB 3.28Å; C533-R536 WeakPolarHBondContact O-CB 3.48Å; C533-R536 PolarHBondContact O-N 3.39Å; P534-R536 VanDerWaalsContact C-N 3.3Å; P534-R536 PolarHBondContact O-N 3.42Å; R536-F538 VanDerWaalsContact C-N 3.33Å; R536-F538 PolarHBondContact O-N 3.06Å; R536-I539 PolarHBondContact O-N 3.24Å; R536-R540 PolarHBondContact O-N 3.37Å; R536-I581 PolarHBondContact NH1-O 3.23Å; R536-P582 PolarHBondContact NH1-O 3.01Å; R536-E583 IonicContact NH2-OE2 3.82Å
537	H	87.9	Confident	88.9	Confident	121 Å²	121	47.8 Å²	47.8	56%	0.56	23%	0.231	S	C	*	.	H	α-helix	trans	-65.5	-38.7	-178.7	-68.1	88.7	0	0	0	111.7	L510 L535 R540 L541	L510-H537 HydrophobicContact CD1-CB 3.69Å; L510-H537 HydrophobicContact CG-CB 4.12Å; L535-H537 PolarHBondContact O-N 3.13Å; H537-R540 PolarHBondContact O-N 2.68Å; H537-L541 PolarHBondContact O-N 3.49Å; H537-L541 VanDerWaalsContact O-N 3.1Å
538	F	91.4	Very high	87.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-39.9	176.8	-171.6	-102.6	0	0	0	111.9	P508 L510 L522 A524 F529 L535 R536 R540 L541 G542 L556 Y563	P508-F538 HydrophobicContact CB-CD2 3.66Å; P508-F538 HydrophobicContact CB-CE2 3.9Å; P508-F538 HydrophobicContact CB-CG 4.1Å; P508-F538 HydrophobicContact CG-CD1 4.39Å; P508-F538 HydrophobicContact CG-CD2 4.11Å; P508-F538 HydrophobicContact CG-CE1 4.4Å; P508-F538 HydrophobicContact CG-CE2 4.12Å; P508-F538 HydrophobicContact CG-CG 4.25Å; P508-F538 HydrophobicContact CG-CZ 4.26Å; L510-F538 HydrophobicContact CD2-CD2 4.21Å; L522-F538 HydrophobicContact CD2-CE2 4.41Å; A524-F538 HydrophobicContact CB-CZ 4.08Å; F529-F538 HydrophobicContact CE1-CD1 4.27Å; F529-F538 AromaticContact CE1-CE1 3.85Å; F529-F538 HydrophobicContact CE1-CE1 3.85Å; F529-F538 AromaticContact CZ-CE1 3.96Å; F529-F538 HydrophobicContact CZ-CE1 3.96Å; L535-F538 HydrophobicContact CD1-CB 4.06Å; L535-F538 HydrophobicContact CD1-CD1 4.02Å; L535-F538 HydrophobicContact CD1-CG 4.38Å; L535-F538 WeakPolarHBondContact O-CA 3.48Å; L535-F538 WeakPolarHBondContact O-CB 2.96Å; L535-F538 PolarHBondContact O-N 3.35Å; R536-F538 VanDerWaalsContact C-N 3.33Å; R536-F538 PolarHBondContact O-N 3.06Å; F538-R540 VanDerWaalsContact C-N 3.32Å; F538-R540 PolarHBondContact O-N 3.07Å; F538-L541 HydrophobicContact CD2-CD2 4.45Å; F538-L541 WeakPolarHBondContact O-CB 2.98Å; F538-L541 PolarHBondContact O-N 2.91Å; F538-L541 VanDerWaalsContact O-N 3.14Å; F538-G542 PolarHBondContact O-N 3.29Å; F538-G542 VanDerWaalsContact O-N 3.07Å; F538-L556 HydrophobicContact CE1-CD2 4.48Å; F538-L556 HydrophobicContact CZ-CD2 4.03Å; F538-Y563 HydrophobicContact CE1-CD1 4.18Å; F538-Y563 AromaticContact CE1-CE1 3.94Å; F538-Y563 HydrophobicContact CE1-CE1 3.94Å; F538-Y563 HydrophobicContact CZ-CE1 4.16Å
539	I	90.8	Very high	85.1	Confident	9 Å²	9	59.3 Å²	59.3	5%	0.046	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-45.2	173.2	-59.5	176.9	0	0	0	110.6	L535 R536 L541 G542 I543 W559 L576 F579	L535-I539 HydrophobicContact CD2-CD1 4.19Å; L535-I539 HydrophobicContact CD2-CG1 4.35Å; L535-I539 HydrophobicContact CG-CD1 4.25Å; L535-I539 HydrophobicContact CG-CG1 4.08Å; L535-I539 PolarHBondContact O-N 2.79Å; L535-I539 VanDerWaalsContact O-N 3.1Å; R536-I539 PolarHBondContact O-N 3.24Å; I539-L541 VanDerWaalsContact C-N 3.26Å; I539-L541 PolarHBondContact O-N 3.33Å; I539-G542 PolarHBondContact O-N 3.29Å; I539-G542 VanDerWaalsContact O-N 3.15Å; I539-I543 HydrophobicContact CG2-CD1 4Å; I539-I543 WeakPolarHBondContact O-CG1 3.23Å; I539-I543 PolarHBondContact O-N 3.26Å; I539-W559 HydrophobicContact CG2-CH2 4.39Å; I539-L576 HydrophobicContact CG1-CB 4.24Å; I539-L576 HydrophobicContact CG1-CD1 4.43Å; I539-L576 VanDerWaalsContact CG2-O 3.31Å; I539-L576 WeakPolarHBondContact CG2-O 3.33Å; I539-F579 HydrophobicContact CD1-CD1 4.08Å
540	R	88.8	Confident	83.1	Confident	158 Å²	158	60.5 Å²	60.5	60%	0.596	30%	0.301	S	S	*	.	H	α-helix	trans	-60.6	-36.5	177.3	-173	177.5	-175.2	166.4	4.8	112.3	R536 H537 F538 Q544	R536-R540 PolarHBondContact O-N 3.37Å; H537-R540 PolarHBondContact O-N 2.68Å; F538-R540 VanDerWaalsContact C-N 3.32Å; F538-R540 PolarHBondContact O-N 3.07Å; R540-Q544 WeakPolarHBondContact O-CB 3.48Å; R540-Q544 VanDerWaalsContact O-CG 3.25Å; R540-Q544 WeakPolarHBondContact O-CG 3.33Å; R540-Q544 PolarHBondContact O-N 3.32Å
541	L	88.9	Confident	81	Confident	16 Å²	16	68.8 Å²	68.8	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-49.5	173.8	179	72.3	0	0	0	110.8	L510 L513 H537 F538 I539 I543 Q544 T545 L554 L556	L510-L541 HydrophobicContact CD2-CB 4.31Å; L510-L541 HydrophobicContact CD2-CD2 3.72Å; L513-L541 HydrophobicContact CD2-CD2 3.44Å; L513-L541 VanDerWaalsContact CD2-CD2 3.44Å; H537-L541 PolarHBondContact O-N 3.49Å; H537-L541 VanDerWaalsContact O-N 3.1Å; F538-L541 HydrophobicContact CD2-CD2 4.45Å; F538-L541 WeakPolarHBondContact O-CB 2.98Å; F538-L541 PolarHBondContact O-N 2.91Å; F538-L541 VanDerWaalsContact O-N 3.14Å; I539-L541 VanDerWaalsContact C-N 3.26Å; I539-L541 PolarHBondContact O-N 3.33Å; L541-I543 PolarHBondContact O-N 3.25Å; L541-Q544 WeakPolarHBondContact O-CB 3.18Å; L541-Q544 PolarHBondContact O-N 3.36Å; L541-T545 WeakPolarHBondContact O-CG2 3.36Å; L541-T545 PolarHBondContact O-N 3.45Å; L541-L554 HydrophobicContact CD1-CD2 4.3Å; L541-L554 HydrophobicContact CD2-CD2 4.04Å; L541-L556 HydrophobicContact CD2-CD1 4.18Å; L541-L556 HydrophobicContact CG-CD1 4.25Å
542	G	89.3	Confident	79.5	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-57.5	-45.9	178.9	0	0	0	0	0	113.1	F538 I539 Q544 T545 E546 W559	F538-G542 PolarHBondContact O-N 3.29Å; F538-G542 VanDerWaalsContact O-N 3.07Å; I539-G542 PolarHBondContact O-N 3.29Å; I539-G542 VanDerWaalsContact O-N 3.15Å; G542-Q544 VanDerWaalsContact C-N 3.31Å; G542-Q544 PolarHBondContact O-N 3.04Å; G542-T545 PolarHBondContact O-N 2.85Å; G542-T545 PolarHBondContact O-OG1 3.23Å; G542-E546 PolarHBondContact O-N 3.38Å; G542-W559 VanDerWaalsContact C-CE2 3.48Å; G542-W559 PolarHBondContact O-NE1 3.02Å
543	I	88.3	Confident	79	Confident	44 Å²	44	72.7 Å²	72.7	23%	0.226	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-41.7	174.4	-62.2	168.5	0	0	0	110.8	I539 L541 T545 E546 Y547 W559 E577	I539-I543 HydrophobicContact CG2-CD1 4Å; I539-I543 WeakPolarHBondContact O-CG1 3.23Å; I539-I543 PolarHBondContact O-N 3.26Å; L541-I543 PolarHBondContact O-N 3.25Å; I543-T545 VanDerWaalsContact C-N 3.3Å; I543-T545 PolarHBondContact O-N 2.04Å; I543-E546 PolarHBondContact O-N 3.41Å; I543-Y547 HydrophobicContact CG2-CD2 4.11Å; I543-Y547 HydrophobicContact CG2-CE2 4.04Å; I543-Y547 WeakPolarHBondContact O-CD2 3.13Å; I543-W559 HydrophobicContact CG1-CZ2 4.15Å; I543-E577 HydrophobicContact CG1-CG 4.38Å
544	Q	85.9	Confident	79	Confident	78 Å²	78	71.6 Å²	71.6	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-31.5	178.8	-77.3	176.5	-18.8	0	0	113.6	R540 L541 G542	R540-Q544 WeakPolarHBondContact O-CB 3.48Å; R540-Q544 VanDerWaalsContact O-CG 3.25Å; R540-Q544 WeakPolarHBondContact O-CG 3.33Å; R540-Q544 PolarHBondContact O-N 3.32Å; L541-Q544 WeakPolarHBondContact O-CB 3.18Å; L541-Q544 PolarHBondContact O-N 3.36Å; G542-Q544 VanDerWaalsContact C-N 3.31Å; G542-Q544 PolarHBondContact O-N 3.04Å
545	T	83	Confident	79.1	Confident	24 Å²	24	73.1 Å²	73.1	15%	0.147	37%	0.367	C	S	.	.	H	α-helix	trans	-71.6	-32.8	178.7	52.9	0	0	0	0	112.8	L541 G542 I543 L554 L556	L541-T545 WeakPolarHBondContact O-CG2 3.36Å; L541-T545 PolarHBondContact O-N 3.45Å; G542-T545 PolarHBondContact O-N 2.85Å; G542-T545 PolarHBondContact O-OG1 3.23Å; I543-T545 VanDerWaalsContact C-N 3.3Å; I543-T545 PolarHBondContact O-N 2.04Å; T545-L554 WeakPolarHBondContact CG2-O 3.46Å; T545-L556 HydrophobicContact CG2-CD1 3.62Å
546	E	79.1	Confident	79.2	Confident	90 Å²	90	73.5 Å²	73.5	42%	0.421	37%	0.37	S	S	.	.	H	α-helix	trans	-68.2	-45.2	179.8	-175.4	176	-176.2	0	0	112.9	G542 I543 K548	G542-E546 PolarHBondContact O-N 3.38Å; I543-E546 PolarHBondContact O-N 3.41Å; E546-K548 PolarHBondContact O-N 2.02Å; E546-K548 VanDerWaalsContact O-N 3.14Å
547	Y	71.1	Confident	79.5	Confident	154 Å²	154	72.8 Å²	72.8	60%	0.604	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	4.1	-175.6	-74	-80.9	0	0	0	114.5	I543 S549	I543-Y547 HydrophobicContact CG2-CD2 4.11Å; I543-Y547 HydrophobicContact CG2-CE2 4.04Å; I543-Y547 WeakPolarHBondContact O-CD2 3.13Å; Y547-S549 WeakPolarHBondContact CB-OG 2.93Å; Y547-S549 PolarHBondContact O-N 3.2Å
548	K	62.1	Low	79.7	Confident	199 Å²	199	72.4 Å²	72.4	87%	0.865	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	15.4	-172.6	-69.4	-174	178.7	179.5	0	114.8	E546	E546-K548 PolarHBondContact O-N 2.02Å; E546-K548 VanDerWaalsContact O-N 3.14Å
549	S	52.2	Low	79.7	Confident	84 Å²	84	73.9 Å²	73.9	59%	0.587	37%	0.373	S	S	*	.			trans	-90.5	-4	-174.9	51.8	0	0	0	0	113	Y547	Y547-S549 WeakPolarHBondContact CB-OG 2.93Å; Y547-S549 PolarHBondContact O-N 3.2Å
550	G	52.6	Low	79.8	Confident	26 Å²	26	74.7 Å²	74.7	27%	0.268	38%	0.378	S	S	.	.			trans	-87.1	129.4	178.5	0	0	0	0	0	112.5	S552	G550-S552 PolarHBondContact O-N 3.14Å
551	H	50.9	Low	79.9	Confident	205 Å²	205	74.9 Å²	74.9	95%	0.949	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	5.6	174.8	-71.4	59.3	0	0	0	114.2
552	S	61.2	Low	80.1	Confident	69 Å²	69	74.5 Å²	74.5	48%	0.483	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-22.2	-173	48.8	0	0	0	0	114.7	G550 L554	G550-S552 PolarHBondContact O-N 3.14Å; S552-L554 PolarHBondContact O-N 3.34Å; S552-L554 VanDerWaalsContact O-N 3.13Å
553	G	77.5	Confident	80.4	Confident	63 Å²	63	74.5 Å²	74.5	65%	0.649	39%	0.385	S	S	*	.			trans	62.2	15.8	-178.6	0	0	0	0	0	115.3
554	L	89	Confident	80.7	Confident	17 Å²	17	75.7 Å²	75.7	9%	0.089	39%	0.39	C	S	.	.			trans	-89.2	137	177.6	-178.1	74.2	0	0	0	110.1	L513 L519 K520 L522 L541 T545 S552 L556	L513-L554 HydrophobicContact CD1-CD2 4.48Å; L513-L554 HydrophobicContact CD2-CD2 3.9Å; L519-L554 HydrophobicContact CB-CD1 4.22Å; L519-L554 HydrophobicContact CD2-CD1 3.86Å; L519-L554 HydrophobicContact CG-CD1 3.82Å; L519-L554 WeakPolarHBondContact O-CD1 3.31Å; K520-L554 CarbonylContact O-C 3.19Å; K520-L554 WeakPolarHBondContact O-CA 3.32Å; L522-L554 HydrophobicContact CB-CD1 4.19Å; L541-L554 HydrophobicContact CD1-CD2 4.3Å; L541-L554 HydrophobicContact CD2-CD2 4.04Å; T545-L554 WeakPolarHBondContact CG2-O 3.46Å; S552-L554 PolarHBondContact O-N 3.34Å; S552-L554 VanDerWaalsContact O-N 3.13Å; L554-L556 HydrophobicContact CD2-CD1 4Å; L554-L556 HydrophobicContact CG-CD1 4.29Å
555	E	91.4	Very high	81.1	Confident	115 Å²	115	72 Å²	72	54%	0.537	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127	175.8	-176.6	176.4	170.9	0	0	109.5	K520 L522 L557	K520-E555 PolarHBondContact O-N 3.46Å; L522-E555 PolarHBondContact N-O 2.83Å; E555-L557 HydrophobicContact CG-CD2 4.41Å
556	L	93.2	Very high	81.7	Confident	9 Å²	9	74.7 Å²	74.7	5%	0.047	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.6	170.8	-88.9	75.2	0	0	0	109.2	L522 F538 L541 T545 L554 W559 Y563	L522-L556 VanDerWaalsContact O-CA 3.3Å; L522-L556 WeakPolarHBondContact O-CA 3.42Å; F538-L556 HydrophobicContact CE1-CD2 4.48Å; F538-L556 HydrophobicContact CZ-CD2 4.03Å; L541-L556 HydrophobicContact CD2-CD1 4.18Å; L541-L556 HydrophobicContact CG-CD1 4.25Å; T545-L556 HydrophobicContact CG2-CD1 3.62Å; L554-L556 HydrophobicContact CD2-CD1 4Å; L554-L556 HydrophobicContact CG-CD1 4.29Å; L556-W559 HydrophobicContact CB-CB 4.02Å; L556-W559 HydrophobicContact CD2-CE3 4.17Å; L556-W559 PolarHBondContact O-N 3.31Å; L556-Y563 HydrophobicContact CD2-CE1 4.28Å
557	L	94.3	Very high	82.3	Confident	48 Å²	48	76.7 Å²	76.7	25%	0.251	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	138.4	-179.6	-63.8	-171.5	0	0	0	110.9	L499 I521 L522 D523 E555 W559 Y563	L499-L557 HydrophobicContact CD2-CD1 4.17Å; I521-L557 HydrophobicContact CG2-CD1 3.64Å; I521-L557 HydrophobicContact CG2-CD2 3.96Å; I521-L557 HydrophobicContact CG2-CG 3.65Å; L522-L557 PolarHBondContact O-N 3.4Å; D523-L557 HydrophobicContact CB-CB 4.05Å; D523-L557 HydrophobicContact CB-CD1 4.17Å; D523-L557 HydrophobicContact CB-CG 4.44Å; E555-L557 HydrophobicContact CG-CD2 4.41Å; L557-W559 PolarHBondContact O-N 2.96Å; L557-Y563 VanDerWaalsContact O-CE2 3.31Å; L557-Y563 WeakPolarHBondContact O-CE2 3.45Å; L557-Y563 PolarHBondContact O-OH 3.46Å
558	K	92.7	Very high	83.3	Confident	112 Å²	112	71.1 Å²	71.1	49%	0.487	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	21.1	-179.8	-54	179.3	177.9	175.5	0	114.7	P560 E561 G562	K558-P560 CarbonylContact O-C 3.53Å; K558-E561 PolarHBondContact O-N 2.85Å; K558-E561 VanDerWaalsContact O-N 3.07Å; K558-G562 PolarHBondContact O-N 2.68Å
559	W	91.4	Very high	84.6	Confident	32 Å²	32	68.7 Å²	68.7	12%	0.121	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	137.7	168.5	-178.8	-88.2	0	0	0	110.4	I539 G542 I543 L556 L557 Y563 L576 E577	I539-W559 HydrophobicContact CG2-CH2 4.39Å; G542-W559 VanDerWaalsContact C-CE2 3.48Å; G542-W559 PolarHBondContact O-NE1 3.02Å; I543-W559 HydrophobicContact CG1-CZ2 4.15Å; L556-W559 HydrophobicContact CB-CB 4.02Å; L556-W559 HydrophobicContact CD2-CE3 4.17Å; L556-W559 PolarHBondContact O-N 3.31Å; L557-W559 PolarHBondContact O-N 2.96Å; W559-Y563 HydrophobicContact CB-CD2 4.33Å; W559-Y563 HydrophobicContact CB-CE2 4.07Å; W559-Y563 HydrophobicContact CD2-CD2 4.46Å; W559-Y563 AromaticContact CE3-CD1 3.92Å; W559-Y563 HydrophobicContact CE3-CD1 3.92Å; W559-Y563 AromaticContact CE3-CD2 3.67Å; W559-Y563 HydrophobicContact CE3-CD2 3.67Å; W559-Y563 HydrophobicContact CE3-CE1 4.24Å; W559-Y563 AromaticContact CE3-CE2 4Å; W559-Y563 HydrophobicContact CE3-CE2 4Å; W559-Y563 AromaticContact CE3-CG 3.62Å; W559-Y563 HydrophobicContact CE3-CG 3.62Å; W559-Y563 AromaticContact CZ3-CD1 3.97Å; W559-Y563 HydrophobicContact CZ3-CD1 3.97Å; W559-Y563 HydrophobicContact CZ3-CD2 4.39Å; W559-Y563 AromaticContact CZ3-CG 3.88Å; W559-Y563 HydrophobicContact CZ3-CG 3.88Å; W559-L576 HydrophobicContact CH2-CB 3.71Å; W559-L576 HydrophobicContact CZ3-CB 3.98Å; W559-L576 HydrophobicContact CZ3-CD1 4.19Å; W559-E577 HydrophobicContact CZ2-CB 4.17Å
560	P	92.1	Very high	86.4	Confident	25 Å²	25	69.9 Å²	69.9	16%	0.162	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.5	-7.4	-8	35.6	-35.3	0	0	0	113.7	K558 G562 Y563 E577	K558-P560 CarbonylContact O-C 3.53Å; P560-G562 VanDerWaalsContact C-N 3.32Å; P560-G562 PolarHBondContact O-N 2.98Å; P560-Y563 PolarHBondContact O-N 3.12Å; P560-Y563 VanDerWaalsContact O-N 3.11Å; P560-E577 HydrophobicContact CB-CB 3.97Å; P560-E577 WeakPolarHBondContact CG-OE2 3.33Å
561	E	92.3	Very high	88	Confident	163 Å²	163	69.3 Å²	69.3	76%	0.762	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.2	-168.5	-65.7	-176	173.3	0	0	114.7	K558 H564	K558-E561 PolarHBondContact O-N 2.85Å; K558-E561 VanDerWaalsContact O-N 3.07Å; E561-H564 PolarHBondContact O-CE1 3.29Å; E561-H564 VanDerWaalsContact O-CE1 3.24Å; E561-H564 PolarHBondContact O-NE2 3.08Å
562	G	93.1	Very high	90	Very high	7 Å²	7	65.9 Å²	65.9	7%	0.072	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	9.5	-179.8	0	0	0	0	0	115.1	S525 D526 K558 P560	S525-G562 CarbonylContact C-O 3.59Å; S525-G562 VanDerWaalsContact CA-O 3.32Å; S525-G562 WeakPolarHBondContact CA-O 3.46Å; S525-G562 WeakPolarHBondContact CB-O 3.14Å; D526-G562 PolarHBondContact N-O 3.46Å; K558-G562 PolarHBondContact O-N 2.68Å; P560-G562 VanDerWaalsContact C-N 3.32Å; P560-G562 PolarHBondContact O-N 2.98Å
563	Y	95.6	Very high	91.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.36	C	S	.	.			trans	-121.7	100.4	-171.2	-69.1	-99.5	0	0	0	111.2	A524 F529 F538 L556 L557 W559 P560 T575 L576	A524-Y563 HydrophobicContact CB-CE1 4Å; A524-Y563 PolarHBondContact N-OH 2.73Å; A524-Y563 VanDerWaalsContact N-OH 3.16Å; F529-Y563 HydrophobicContact CD2-CD1 4.46Å; F529-Y563 AromaticContact CE2-CD1 3.49Å; F529-Y563 HydrophobicContact CE2-CD1 3.49Å; F529-Y563 VanDerWaalsContact CE2-CD1 3.49Å; F529-Y563 HydrophobicContact CE2-CE1 4.15Å; F529-Y563 HydrophobicContact CE2-CG 4.3Å; F529-Y563 AromaticContact CZ-CD1 3.68Å; F529-Y563 HydrophobicContact CZ-CD1 3.68Å; F529-Y563 AromaticContact CZ-CE1 3.95Å; F529-Y563 HydrophobicContact CZ-CE1 3.95Å; F538-Y563 HydrophobicContact CE1-CD1 4.18Å; F538-Y563 AromaticContact CE1-CE1 3.94Å; F538-Y563 HydrophobicContact CE1-CE1 3.94Å; F538-Y563 HydrophobicContact CZ-CE1 4.16Å; L556-Y563 HydrophobicContact CD2-CE1 4.28Å; L557-Y563 VanDerWaalsContact O-CE2 3.31Å; L557-Y563 WeakPolarHBondContact O-CE2 3.45Å; L557-Y563 PolarHBondContact O-OH 3.46Å; W559-Y563 HydrophobicContact CB-CD2 4.33Å; W559-Y563 HydrophobicContact CB-CE2 4.07Å; W559-Y563 HydrophobicContact CD2-CD2 4.46Å; W559-Y563 AromaticContact CE3-CD1 3.92Å; W559-Y563 HydrophobicContact CE3-CD1 3.92Å; W559-Y563 AromaticContact CE3-CD2 3.67Å; W559-Y563 HydrophobicContact CE3-CD2 3.67Å; W559-Y563 HydrophobicContact CE3-CE1 4.24Å; W559-Y563 AromaticContact CE3-CE2 4Å; W559-Y563 HydrophobicContact CE3-CE2 4Å; W559-Y563 AromaticContact CE3-CG 3.62Å; W559-Y563 HydrophobicContact CE3-CG 3.62Å; W559-Y563 AromaticContact CZ3-CD1 3.97Å; W559-Y563 HydrophobicContact CZ3-CD1 3.97Å; W559-Y563 HydrophobicContact CZ3-CD2 4.39Å; W559-Y563 AromaticContact CZ3-CG 3.88Å; W559-Y563 HydrophobicContact CZ3-CG 3.88Å; P560-Y563 PolarHBondContact O-N 3.12Å; P560-Y563 VanDerWaalsContact O-N 3.11Å; Y563-T575 CarbonylContact O-C 3.57Å; Y563-T575 VanDerWaalsContact O-CA 3.29Å; Y563-T575 WeakPolarHBondContact O-CA 3.42Å; Y563-L576 HydrophobicContact CD1-CD1 4.14Å; Y563-L576 PolarHBondContact O-N 2.93Å
564	H	94.9	Very high	92.1	Very high	70 Å²	70	67.3 Å²	67.3	32%	0.324	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-121.2	147.6	-176.5	-54.4	-72.9	0	0	0	113.4	E561 N573 S574	E561-H564 PolarHBondContact O-CE1 3.29Å; E561-H564 VanDerWaalsContact O-CE1 3.24Å; E561-H564 PolarHBondContact O-NE2 3.08Å; H564-N573 PolarHBondContact ND1-O 3.23Å; H564-S574 WeakPolarHBondContact CA-O 3.3Å
565	C	94.3	Very high	92.3	Very high	1 Å²	1	68 Å²	68	1%	0.007	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.4	170	-65.7	0	0	0	0	111.3	C531 A571 R572 N573 S574 L576	C531-C565 HydrophobicContact CB-CB 3.82Å; C531-C565 WeakPolarHBondContact CB-SG 3.29Å; C531-C565 WeakPolarHBondContact SG-CA 3.03Å; C531-C565 WeakPolarHBondContact SG-CB 3.48Å; C531-C565 CovalentContact SG-SG 2.01Å; C531-C565 PolarHBondContact SG-SG 3.3Å; C565-A571 HydrophobicContact CB-CB 4.33Å; C565-A571 WeakPolarHBondContact CB-O 3.43Å; C565-R572 CarbonylContact O-C 3.51Å; C565-R572 WeakPolarHBondContact O-CA 3.34Å; C565-N573 PolarHBondContact O-N 3.41Å; C565-S574 PolarHBondContact N-O 3.4Å; C565-L576 VanDerWaalsContact SG-CD2 3.55Å
566	I	95.1	Very high	92.4	Very high	79 Å²	79	62.6 Å²	62.6	41%	0.405	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-31.3	168.4	-161.1	165	0	0	0	112.5	P528 F529 R572	P528-I566 HydrophobicContact CB-CD1 4.06Å; P528-I566 HydrophobicContact CB-CG2 4.07Å; P528-I566 WeakPolarHBondContact O-CG2 3.45Å; F529-I566 WeakPolarHBondContact O-CG2 3.31Å; F529-I566 PolarHBondContact O-N 3.41Å; I566-R572 PolarHBondContact O-NE 3.09Å
567	Y	91.8	Very high	92.1	Very high	132 Å²	132	65 Å²	65	52%	0.518	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.2	-179.6	178.3	-86.3	0	0	0	109	T530 C531 T532	T530-Y567 CarbonylContact C-O 3.6Å; T530-Y567 HydrophobicContact CG2-CD1 3.65Å; T530-Y567 HydrophobicContact CG2-CE1 4.46Å; T530-Y567 HydrophobicContact CG2-CG 4.39Å; C531-Y567 WeakPolarHBondContact CA-O 3.42Å; C531-Y567 WeakPolarHBondContact CB-O 3.38Å; C531-Y567 PolarHBondContact N-O 3Å; T532-Y567 HydrophobicContact CG2-CD1 4.29Å; T532-Y567 HydrophobicContact CG2-CE1 4.13Å
568	P	91.4	Very high	91.5	Very high	38 Å²	38	69 Å²	69	25%	0.247	35%	0.352	C	S	.	.	S	Bend	cis	-72.6	161.6	0.6	30.6	-35.9	0	0	0	113.4	C531 A570 A571 R572	C531-P568 VanDerWaalsContact O-CD 3.27Å; C531-P568 WeakPolarHBondContact O-CD 3.43Å; P568-A570 PolarHBondContact O-N 3.47Å; P568-A570 VanDerWaalsContact O-N 3.16Å; P568-A571 HydrophobicContact CG-CB 4.46Å; P568-A571 CarbonylContact O-C 2.98Å; P568-A571 PolarHBondContact O-N 3.13Å; P568-R572 PolarHBondContact O-N 3.25Å
569	E	89.9	Confident	90.8	Very high	148 Å²	148	66 Å²	66	69%	0.692	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-55.1	-35.1	-177.1	-66.7	-171.3	160	0	0	113.4	A571 R572	E569-A571 PolarHBondContact O-N 3.32Å; E569-R572 WeakPolarHBondContact O-CB 2.94Å; E569-R572 PolarHBondContact O-N 2.85Å; E569-R572 VanDerWaalsContact O-N 3.13Å; E569-R572 IonicContact OE1-NH2 3.58Å
570	A	89.1	Confident	89.9	Confident	109 Å²	109	72 Å²	72	90%	0.901	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-61.3	-22.9	177.5	0	0	0	0	0	114	P568	P568-A570 PolarHBondContact O-N 3.47Å; P568-A570 VanDerWaalsContact O-N 3.16Å
571	A	88.1	Confident	89.1	Confident	13 Å²	13	72.2 Å²	72.2	11%	0.107	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-114.2	12.3	179.1	0	0	0	0	0	112	C565 P568 E569 N573 S574 F579	C565-A571 HydrophobicContact CB-CB 4.33Å; C565-A571 WeakPolarHBondContact CB-O 3.43Å; P568-A571 HydrophobicContact CG-CB 4.46Å; P568-A571 CarbonylContact O-C 2.98Å; P568-A571 PolarHBondContact O-N 3.13Å; E569-A571 PolarHBondContact O-N 3.32Å; A571-N573 PolarHBondContact O-N 3.18Å; A571-S574 PolarHBondContact O-N 2.91Å; A571-S574 VanDerWaalsContact O-N 3.15Å; A571-S574 PolarHBondContact O-OG 3.07Å; A571-F579 HydrophobicContact CB-CD2 4.44Å; A571-F579 HydrophobicContact CB-CE2 4.43Å
572	R	91.6	Very high	88.4	Confident	133 Å²	133	68.2 Å²	68.2	50%	0.502	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	136	-177.7	-175.5	177	-70.5	-174.9	7.8	110.7	C565 I566 P568 E569 S574	C565-R572 CarbonylContact O-C 3.51Å; C565-R572 WeakPolarHBondContact O-CA 3.34Å; I566-R572 PolarHBondContact O-NE 3.09Å; P568-R572 PolarHBondContact O-N 3.25Å; E569-R572 WeakPolarHBondContact O-CB 2.94Å; E569-R572 PolarHBondContact O-N 2.85Å; E569-R572 VanDerWaalsContact O-N 3.13Å; E569-R572 IonicContact OE1-NH2 3.58Å; R572-S574 PolarHBondContact O-N 3.23Å
573	N	91.8	Very high	87.5	Confident	126 Å²	126	74.1 Å²	74.1	67%	0.674	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	2.7	-177.7	-55.7	-21.1	0	0	0	115.5	H564 C565 A571	H564-N573 PolarHBondContact ND1-O 3.23Å; C565-N573 PolarHBondContact O-N 3.41Å; A571-N573 PolarHBondContact O-N 3.18Å
574	S	92.1	Very high	86.4	Confident	36 Å²	36	78.4 Å²	78.4	25%	0.252	40%	0.404	S	S	.	.			trans	-73	144.3	170.3	69.1	0	0	0	0	110.5	H564 C565 A571 R572	H564-S574 WeakPolarHBondContact CA-O 3.3Å; C565-S574 PolarHBondContact N-O 3.4Å; A571-S574 PolarHBondContact O-N 2.91Å; A571-S574 VanDerWaalsContact O-N 3.15Å; A571-S574 PolarHBondContact O-OG 3.07Å; R572-S574 PolarHBondContact O-N 3.23Å
575	T	93.4	Very high	85.4	Confident	33 Å²	33	78.8 Å²	78.8	20%	0.202	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-65.3	147.2	173.9	55.6	0	0	0	0	111.1	Y563 E577 I578	Y563-T575 CarbonylContact O-C 3.57Å; Y563-T575 VanDerWaalsContact O-CA 3.29Å; Y563-T575 WeakPolarHBondContact O-CA 3.42Å; T575-E577 PolarHBondContact O-N 2.95Å; T575-I578 PolarHBondContact O-N 3.45Å; T575-I578 VanDerWaalsContact OG1-CD1 3.3Å; T575-I578 WeakPolarHBondContact OG1-CD1 3.06Å; T575-I578 WeakPolarHBondContact OG1-CG1 3.49Å
576	L	91.7	Very high	84.6	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-63.9	-28.7	-178	-68.9	-166.7	0	0	0	113.4	F529 C531 L535 I539 W559 Y563 C565 I578 F579	F529-L576 HydrophobicContact CB-CD1 4.35Å; F529-L576 HydrophobicContact CB-CD2 4.15Å; F529-L576 HydrophobicContact CD1-CD1 4.38Å; F529-L576 HydrophobicContact CD2-CD1 3.88Å; F529-L576 HydrophobicContact CE2-CD1 4.22Å; F529-L576 HydrophobicContact CG-CD1 3.95Å; C531-L576 WeakPolarHBondContact SG-CD2 3.47Å; L535-L576 HydrophobicContact CD2-CD1 4.17Å; L535-L576 HydrophobicContact CD2-CD2 3.81Å; I539-L576 HydrophobicContact CG1-CB 4.24Å; I539-L576 HydrophobicContact CG1-CD1 4.43Å; I539-L576 VanDerWaalsContact CG2-O 3.31Å; I539-L576 WeakPolarHBondContact CG2-O 3.33Å; W559-L576 HydrophobicContact CH2-CB 3.71Å; W559-L576 HydrophobicContact CZ3-CB 3.98Å; W559-L576 HydrophobicContact CZ3-CD1 4.19Å; Y563-L576 HydrophobicContact CD1-CD1 4.14Å; Y563-L576 PolarHBondContact O-N 2.93Å; C565-L576 VanDerWaalsContact SG-CD2 3.55Å; L576-I578 VanDerWaalsContact C-N 3.29Å; L576-I578 PolarHBondContact O-N 3.06Å; L576-F579 PolarHBondContact O-N 3.19Å
577	E	87.2	Confident	83.9	Confident	61 Å²	61	78.3 Å²	78.3	29%	0.285	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-59.9	-38.3	-178.8	-166	-161.8	166.9	0	0	112.7	I543 W559 P560 T575 F579	I543-E577 HydrophobicContact CG1-CG 4.38Å; W559-E577 HydrophobicContact CZ2-CB 4.17Å; P560-E577 HydrophobicContact CB-CB 3.97Å; P560-E577 WeakPolarHBondContact CG-OE2 3.33Å; T575-E577 PolarHBondContact O-N 2.95Å; E577-F579 VanDerWaalsContact C-N 3.27Å; E577-F579 PolarHBondContact O-N 3.44Å
578	I	83.1	Confident	83.2	Confident	130 Å²	130	76.1 Å²	76.1	67%	0.667	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-73.4	-22.6	-175.8	-60	172.6	0	0	0	111.2	T575 L576 Q580	T575-I578 PolarHBondContact O-N 3.45Å; T575-I578 VanDerWaalsContact OG1-CD1 3.3Å; T575-I578 WeakPolarHBondContact OG1-CD1 3.06Å; T575-I578 WeakPolarHBondContact OG1-CG1 3.49Å; L576-I578 VanDerWaalsContact C-N 3.29Å; L576-I578 PolarHBondContact O-N 3.06Å; I578-Q580 PolarHBondContact O-N 3.21Å
579	F	77.3	Confident	82.5	Confident	50 Å²	50	78.6 Å²	78.6	22%	0.219	45%	0.445	C	S	.	.			trans	-89.5	96.8	-170.5	-170.6	-105.6	0	0	0	112.9	C531 I539 A571 L576 E577 I581	C531-F579 HydrophobicContact CB-CD1 3.83Å; C531-F579 HydrophobicContact CB-CE1 3.62Å; C531-F579 HydrophobicContact CB-CG 4.37Å; C531-F579 HydrophobicContact CB-CZ 4.07Å; C531-F579 WeakPolarHBondContact O-CE1 3.47Å; C531-F579 WeakPolarHBondContact O-CZ 3.15Å; I539-F579 HydrophobicContact CD1-CD1 4.08Å; A571-F579 HydrophobicContact CB-CD2 4.44Å; A571-F579 HydrophobicContact CB-CE2 4.43Å; L576-F579 PolarHBondContact O-N 3.19Å; E577-F579 VanDerWaalsContact C-N 3.27Å; E577-F579 PolarHBondContact O-N 3.44Å; F579-I581 HydrophobicContact CD1-CD1 4.22Å; F579-I581 HydrophobicContact CD1-CG1 4Å; F579-I581 HydrophobicContact CE1-CD1 3.25Å; F579-I581 HydrophobicContact CE1-CG1 3.25Å; F579-I581 HydrophobicContact CZ-CD1 3.75Å; F579-I581 HydrophobicContact CZ-CG1 3.55Å
580	Q	73.4	Confident	81.9	Confident	159 Å²	159	75.9 Å²	75.9	74%	0.743	43%	0.434	S	S	*	.			trans	-106	103.8	176.9	-63	-165.6	-5.4	0	0	112.3	I578	I578-Q580 PolarHBondContact O-N 3.21Å
581	I	74.2	Confident	81.5	Confident	29 Å²	29	74.4 Å²	74.4	15%	0.149	41%	0.411	C	S	.	.			trans	-84.5	127.6	171.8	-56.1	166.6	0	0	0	110	R536 F579 C586	R536-I581 PolarHBondContact NH1-O 3.23Å; F579-I581 HydrophobicContact CD1-CD1 4.22Å; F579-I581 HydrophobicContact CD1-CG1 4Å; F579-I581 HydrophobicContact CE1-CD1 3.25Å; F579-I581 HydrophobicContact CE1-CG1 3.25Å; F579-I581 HydrophobicContact CZ-CD1 3.75Å; F579-I581 HydrophobicContact CZ-CG1 3.55Å; I581-C586 WeakPolarHBondContact CG2-SG 3.47Å
582	P	77.4	Confident	81.1	Confident	79 Å²	79	76.2 Å²	76.2	51%	0.513	43%	0.426	S	S	.	.			trans	-64.2	148.3	173.3	-20.1	32.1	0	0	0	113.4	R536 I584 S585	R536-P582 PolarHBondContact NH1-O 3.01Å; P582-I584 VanDerWaalsContact C-N 3.27Å; P582-I584 PolarHBondContact O-N 2.91Å; P582-S585 PolarHBondContact O-N 3.32Å
583	E	74.7	Confident	80.6	Confident	131 Å²	131	72.2 Å²	72.2	61%	0.612	42%	0.422	S	S	*	.	H	α-helix	trans	-66.4	-34.3	-173.2	-155.9	163.4	171.5	0	0	112.7	R536 S585 C586 S587	R536-E583 IonicContact NH2-OE2 3.82Å; E583-S585 PolarHBondContact O-N 2.87Å; E583-C586 PolarHBondContact O-N 3.33Å; E583-S587 PolarHBondContact O-N 3.01Å; E583-S587 PolarHBondContact O-OG 2.93Å
584	I	71.4	Confident	79.9	Confident	89 Å²	89	70 Å²	70	46%	0.456	41%	0.412	S	S	.	.	H	α-helix	trans	-60.9	-35.4	179.8	-54.4	165.3	0	0	0	110.9	P582 C586	P582-I584 VanDerWaalsContact C-N 3.27Å; P582-I584 PolarHBondContact O-N 2.91Å; I584-C586 VanDerWaalsContact C-N 3.26Å; I584-C586 PolarHBondContact O-N 3.47Å
585	S	73.7	Confident	79.6	Confident	78 Å²	78	73 Å²	73	55%	0.545	43%	0.425	S	S	.	.	H	α-helix	trans	-72.7	-19.5	178.4	-54.1	0	0	0	0	113.1	P582 E583	P582-S585 PolarHBondContact O-N 3.32Å; E583-S585 PolarHBondContact O-N 2.87Å
586	C	79.1	Confident	79.2	Confident	46 Å²	46	76.9 Å²	76.9	31%	0.311	44%	0.444	S	S	.	.	H	α-helix	trans	-98	-9.7	-175.1	-65.8	0	0	0	0	114.7	C533 I581 E583 I584	C533-C586 VanDerWaalsContact CA-SG 3.54Å; C533-C586 HydrophobicContact CB-CB 3.54Å; C533-C586 WeakPolarHBondContact CB-SG 3.3Å; C533-C586 WeakPolarHBondContact SG-CA 3.37Å; C533-C586 WeakPolarHBondContact SG-CB 3.48Å; C533-C586 CovalentContact SG-SG 2.04Å; C533-C586 PolarHBondContact SG-SG 3.48Å; I581-C586 WeakPolarHBondContact CG2-SG 3.47Å; E583-C586 PolarHBondContact O-N 3.33Å; I584-C586 VanDerWaalsContact C-N 3.26Å; I584-C586 PolarHBondContact O-N 3.47Å
587	S	80.2	Confident	79	Confident	25 Å²	25	81.2 Å²	81.2	18%	0.175	47%	0.47	C	S	.	.			trans	-119.7	108.8	-179.4	54.7	0	0	0	0	110.7	E583 S589 L590 L591	E583-S587 PolarHBondContact O-N 3.01Å; E583-S587 PolarHBondContact O-OG 2.93Å; S587-S589 PolarHBondContact O-N 3.26Å; S587-S589 VanDerWaalsContact O-N 3.15Å; S587-L590 PolarHBondContact O-N 2.68Å; S587-L590 WeakPolarHBondContact OG-CB 3.16Å; S587-L590 WeakPolarHBondContact OG-CD1 3.08Å; S587-L591 PolarHBondContact O-N 3.28Å; S587-L591 VanDerWaalsContact O-N 3.07Å
588	A	76.6	Confident	78.9	Confident	85 Å²	85	82 Å²	82	70%	0.702	48%	0.48	S	S	*	.	H	α-helix	trans	-57.6	-29.7	176.9	0	0	0	0	0	112.5	A592	A588-A592 WeakPolarHBondContact O-CB 3.46Å; A588-A592 PolarHBondContact O-N 3.17Å
589	S	75.7	Confident	79.1	Confident	90 Å²	90	78.3 Å²	78.3	63%	0.629	47%	0.466	S	S	*	.	H	α-helix	trans	-69.1	-46.6	177.6	51.6	0	0	0	0	113.5	S587 A592 A593	S587-S589 PolarHBondContact O-N 3.26Å; S587-S589 VanDerWaalsContact O-N 3.15Å; S589-A592 PolarHBondContact O-N 2.84Å; S589-A593 WeakPolarHBondContact O-CB 3.33Å; S589-A593 PolarHBondContact O-N 3.47Å
590	L	78.9	Confident	79.6	Confident	91 Å²	91	79.4 Å²	79.4	48%	0.476	48%	0.477	S	S	.	.	H	α-helix	trans	-68.3	-38.8	175.1	-79	114.3	0	0	0	111.2	S587 A592 A593 T594	S587-L590 PolarHBondContact O-N 2.68Å; S587-L590 WeakPolarHBondContact OG-CB 3.16Å; S587-L590 WeakPolarHBondContact OG-CD1 3.08Å; L590-A592 VanDerWaalsContact C-N 3.35Å; L590-A593 PolarHBondContact O-N 2.76Å; L590-T594 WeakPolarHBondContact O-CG2 3.09Å; L590-T594 PolarHBondContact O-N 3.07Å; L590-T594 PolarHBondContact O-OG1 3.19Å
591	L	80.6	Confident	80.4	Confident	78 Å²	78	76 Å²	76	41%	0.408	47%	0.466	S	S	.	.	H	α-helix	trans	-63.9	-42.8	176.4	-161.8	123.3	0	0	0	111	S587 T594 I595	S587-L591 PolarHBondContact O-N 3.28Å; S587-L591 VanDerWaalsContact O-N 3.07Å; L591-T594 WeakPolarHBondContact CA-OG1 3.35Å; L591-T594 PolarHBondContact O-N 3.25Å; L591-T594 PolarHBondContact O-OG1 3.01Å; L591-I595 HydrophobicContact CD2-CD1 3.81Å; L591-I595 HydrophobicContact CG-CD1 4.29Å; L591-I595 WeakPolarHBondContact O-CG1 3.35Å; L591-I595 PolarHBondContact O-N 3.42Å
592	A	78.6	Confident	81.1	Confident	51 Å²	51	79.9 Å²	79.9	42%	0.421	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-43.1	172.5	0	0	0	0	0	111.9	A588 S589 L590 T594 I595 L596	A588-A592 WeakPolarHBondContact O-CB 3.46Å; A588-A592 PolarHBondContact O-N 3.17Å; S589-A592 PolarHBondContact O-N 2.84Å; L590-A592 VanDerWaalsContact C-N 3.35Å; A592-T594 PolarHBondContact O-N 3.15Å; A592-I595 PolarHBondContact O-N 2.94Å; A592-L596 WeakPolarHBondContact O-CB 3.48Å; A592-L596 PolarHBondContact O-N 2.54Å
593	A	80.6	Confident	81.6	Confident	50 Å²	50	81.4 Å²	81.4	41%	0.413	49%	0.49	S	S	.	.	H	α-helix	trans	-62.6	-43.7	178.2	0	0	0	0	0	112.1	S589 L590 I595 V597	S589-A593 WeakPolarHBondContact O-CB 3.33Å; S589-A593 PolarHBondContact O-N 3.47Å; L590-A593 PolarHBondContact O-N 2.76Å; A593-I595 VanDerWaalsContact C-N 3.27Å; A593-I595 PolarHBondContact O-N 2.84Å; A593-V597 VanDerWaalsContact O-CB 3.26Å; A593-V597 WeakPolarHBondContact O-CB 3.08Å; A593-V597 WeakPolarHBondContact O-CG2 3.12Å; A593-V597 PolarHBondContact O-N 3.31Å; A593-V597 VanDerWaalsContact O-N 3.08Å
594	T	78.8	Confident	82.2	Confident	78 Å²	78	79.4 Å²	79.4	48%	0.479	49%	0.486	S	S	.	.	H	α-helix	trans	-66.6	-24.5	178.2	54.3	0	0	0	0	113.6	L590 L591 A592 P598	L590-T594 WeakPolarHBondContact O-CG2 3.09Å; L590-T594 PolarHBondContact O-N 3.07Å; L590-T594 PolarHBondContact O-OG1 3.19Å; L591-T594 WeakPolarHBondContact CA-OG1 3.35Å; L591-T594 PolarHBondContact O-N 3.25Å; L591-T594 PolarHBondContact O-OG1 3.01Å; A592-T594 PolarHBondContact O-N 3.15Å; T594-P598 WeakPolarHBondContact O-CD 3.5Å; T594-P598 WeakPolarHBondContact O-CG 3.29Å
595	I	84.6	Confident	82.8	Confident	99 Å²	99	78.4 Å²	78.4	51%	0.508	49%	0.487	S	S	.	.	H	α-helix	trans	-91.7	-45.7	175.9	-63.7	168.6	0	0	0	111.7	L591 A592 A593 P598 S599	L591-I595 HydrophobicContact CD2-CD1 3.81Å; L591-I595 HydrophobicContact CG-CD1 4.29Å; L591-I595 WeakPolarHBondContact O-CG1 3.35Å; L591-I595 PolarHBondContact O-N 3.42Å; A592-I595 PolarHBondContact O-N 2.94Å; A593-I595 VanDerWaalsContact C-N 3.27Å; A593-I595 PolarHBondContact O-N 2.84Å; I595-P598 WeakPolarHBondContact O-CD 3.36Å; I595-S599 WeakPolarHBondContact O-CB 3.3Å; I595-S599 PolarHBondContact O-N 2.75Å; I595-S599 PolarHBondContact O-OG 3.35Å
596	L	85.6	Confident	83.3	Confident	116 Å²	116	79.1 Å²	79.1	61%	0.607	48%	0.484	S	S	*	.	H	α-helix	trans	-70.9	-40.7	-172.3	-158.3	95.6	0	0	0	111.3	A592 S599 V600	A592-L596 WeakPolarHBondContact O-CB 3.48Å; A592-L596 PolarHBondContact O-N 2.54Å; L596-S599 PolarHBondContact O-N 3.28Å; L596-V600 HydrophobicContact CG-CG2 4.33Å; L596-V600 WeakPolarHBondContact O-CB 3.43Å; L596-V600 VanDerWaalsContact O-CG2 3.26Å; L596-V600 WeakPolarHBondContact O-CG2 3.28Å; L596-V600 PolarHBondContact O-N 2.92Å
597	V	86.5	Confident	83.5	Confident	90 Å²	90	83.5 Å²	83.5	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-62.9	-51.2	-177.8	173.4	0	0	0	0	111.5	A593 S599 V600 V601	A593-V597 VanDerWaalsContact O-CB 3.26Å; A593-V597 WeakPolarHBondContact O-CB 3.08Å; A593-V597 WeakPolarHBondContact O-CG2 3.12Å; A593-V597 PolarHBondContact O-N 3.31Å; A593-V597 VanDerWaalsContact O-N 3.08Å; V597-S599 VanDerWaalsContact C-N 3.31Å; V597-S599 PolarHBondContact O-N 3.4Å; V597-V600 PolarHBondContact O-N 2.92Å; V597-V601 VanDerWaalsContact O-CG2 3.28Å; V597-V601 WeakPolarHBondContact O-CG2 3.21Å; V597-V601 PolarHBondContact O-N 2.99Å
598	P	86.8	Confident	83.6	Confident	77 Å²	77	88.3 Å²	88.3	50%	0.5	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-37.7	174.9	-23.2	34.2	0	0	0	113.1	T594 I595 V601 L602	T594-P598 WeakPolarHBondContact O-CD 3.5Å; T594-P598 WeakPolarHBondContact O-CG 3.29Å; I595-P598 WeakPolarHBondContact O-CD 3.36Å; P598-V601 PolarHBondContact O-N 3.36Å; P598-L602 WeakPolarHBondContact O-CB 3.26Å; P598-L602 PolarHBondContact O-N 3.38Å
599	S	86.3	Confident	83.8	Confident	53 Å²	53	89.5 Å²	89.5	37%	0.371	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-43.4	179.4	-58.6	0	0	0	0	111.9	I595 L596 V597 L602 I603	I595-S599 WeakPolarHBondContact O-CB 3.3Å; I595-S599 PolarHBondContact O-N 2.75Å; I595-S599 PolarHBondContact O-OG 3.35Å; L596-S599 PolarHBondContact O-N 3.28Å; V597-S599 VanDerWaalsContact C-N 3.31Å; V597-S599 PolarHBondContact O-N 3.4Å; S599-L602 PolarHBondContact O-N 3.3Å; S599-I603 VanDerWaalsContact O-CG1 3.26Å; S599-I603 WeakPolarHBondContact O-CG1 3.26Å; S599-I603 PolarHBondContact O-N 3.08Å
600	V	88.9	Confident	83.8	Confident	74 Å²	74	87.7 Å²	87.7	45%	0.448	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-43	176.1	171.5	0	0	0	0	110.7	L596 V597 L602 I603 V604	L596-V600 HydrophobicContact CG-CG2 4.33Å; L596-V600 WeakPolarHBondContact O-CB 3.43Å; L596-V600 VanDerWaalsContact O-CG2 3.26Å; L596-V600 WeakPolarHBondContact O-CG2 3.28Å; L596-V600 PolarHBondContact O-N 2.92Å; V597-V600 PolarHBondContact O-N 2.92Å; V600-L602 VanDerWaalsContact C-N 3.3Å; V600-L602 PolarHBondContact O-N 3.26Å; V600-I603 PolarHBondContact O-N 3.35Å; V600-V604 HydrophobicContact CG1-CG2 4.3Å; V600-V604 VanDerWaalsContact O-CG2 3.31Å; V600-V604 WeakPolarHBondContact O-CG2 3.26Å; V600-V604 PolarHBondContact O-N 2.98Å
601	V	89.3	Confident	83.7	Confident	86 Å²	86	90.6 Å²	90.6	52%	0.521	50%	0.501	S	S	.	.	H	α-helix	trans	-59.5	-42.1	175.9	171.9	0	0	0	0	111.2	V597 P598 S605	V597-V601 VanDerWaalsContact O-CG2 3.28Å; V597-V601 WeakPolarHBondContact O-CG2 3.21Å; V597-V601 PolarHBondContact O-N 2.99Å; P598-V601 PolarHBondContact O-N 3.36Å; V601-S605 WeakPolarHBondContact O-CB 3.46Å; V601-S605 PolarHBondContact O-N 3.06Å; V601-S605 PolarHBondContact O-OG 3.36Å
602	L	89.3	Confident	83.4	Confident	111 Å²	111	95.9 Å²	95.9	58%	0.581	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-45.6	176.4	-174	69.3	0	0	0	111.6	P598 S599 V600 S605 I606	P598-L602 WeakPolarHBondContact O-CB 3.26Å; P598-L602 PolarHBondContact O-N 3.38Å; S599-L602 PolarHBondContact O-N 3.3Å; V600-L602 VanDerWaalsContact C-N 3.3Å; V600-L602 PolarHBondContact O-N 3.26Å; L602-S605 WeakPolarHBondContact O-CB 3.44Å; L602-S605 PolarHBondContact O-N 3.38Å; L602-I606 HydrophobicContact CD1-CD1 4.45Å; L602-I606 HydrophobicContact CG-CD1 4.02Å; L602-I606 VanDerWaalsContact O-CG1 3.3Å; L602-I606 WeakPolarHBondContact O-CG1 3.32Å; L602-I606 PolarHBondContact O-N 3.03Å
603	I	88	Confident	83.1	Confident	111 Å²	111	98.8 Å²	98.8	57%	0.569	52%	0.523	S	S	*	.	H	α-helix	trans	-62.9	-44.9	178.9	-68.9	165	0	0	0	111.2	S599 V600 S605 I606 F607	S599-I603 VanDerWaalsContact O-CG1 3.26Å; S599-I603 WeakPolarHBondContact O-CG1 3.26Å; S599-I603 PolarHBondContact O-N 3.08Å; V600-I603 PolarHBondContact O-N 3.35Å; I603-S605 VanDerWaalsContact C-N 3.3Å; I603-S605 PolarHBondContact O-N 2.87Å; I603-I606 PolarHBondContact O-N 3.22Å; I603-F607 WeakPolarHBondContact O-CB 3.46Å; I603-F607 PolarHBondContact O-N 3.39Å
604	V	87.3	Confident	82.4	Confident	90 Å²	90	100 Å²	100	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-62.2	-41.4	177.4	171.9	0	0	0	0	110.7	V600 F607 F608	V600-V604 HydrophobicContact CG1-CG2 4.3Å; V600-V604 VanDerWaalsContact O-CG2 3.31Å; V600-V604 WeakPolarHBondContact O-CG2 3.26Å; V600-V604 PolarHBondContact O-N 2.98Å; V604-F607 PolarHBondContact O-N 3.24Å; V604-F608 PolarHBondContact O-N 3.22Å
605	S	83.4	Confident	81.9	Confident	68 Å²	68	99 Å²	99	48%	0.476	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-45.1	176.8	-59	0	0	0	0	111.7	V601 L602 I603 F608 L609	V601-S605 WeakPolarHBondContact O-CB 3.46Å; V601-S605 PolarHBondContact O-N 3.06Å; V601-S605 PolarHBondContact O-OG 3.36Å; L602-S605 WeakPolarHBondContact O-CB 3.44Å; L602-S605 PolarHBondContact O-N 3.38Å; I603-S605 VanDerWaalsContact C-N 3.3Å; I603-S605 PolarHBondContact O-N 2.87Å; S605-F608 PolarHBondContact O-N 3.04Å; S605-L609 WeakPolarHBondContact O-CB 3.43Å; S605-L609 PolarHBondContact O-N 2.99Å
606	I	84.7	Confident	81.1	Confident	92 Å²	92	98.2 Å²	98.2	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-63	-44.4	175.8	-69.1	167.5	0	0	0	110.9	L602 I603 F608 L609 C610	L602-I606 HydrophobicContact CD1-CD1 4.45Å; L602-I606 HydrophobicContact CG-CD1 4.02Å; L602-I606 VanDerWaalsContact O-CG1 3.3Å; L602-I606 WeakPolarHBondContact O-CG1 3.32Å; L602-I606 PolarHBondContact O-N 3.03Å; I603-I606 PolarHBondContact O-N 3.22Å; I606-F608 VanDerWaalsContact C-N 3.34Å; I606-F608 PolarHBondContact O-N 3Å; I606-L609 PolarHBondContact O-N 3.43Å; I606-C610 WeakPolarHBondContact O-CB 3.31Å; I606-C610 PolarHBondContact O-N 3.49Å; I606-C610 PolarHBondContact O-SG 3.37Å; I606-C610 VanDerWaalsContact O-SG 3.36Å
607	F	83.1	Confident	80.3	Confident	138 Å²	138	96.7 Å²	96.7	61%	0.605	50%	0.504	S	S	*	.	H	α-helix	trans	-60.4	-44.2	179	179.2	-97.8	0	0	0	111.9	I603 V604 L609 C610 R611	I603-F607 WeakPolarHBondContact O-CB 3.46Å; I603-F607 PolarHBondContact O-N 3.39Å; V604-F607 PolarHBondContact O-N 3.24Å; F607-L609 VanDerWaalsContact C-N 3.33Å; F607-L609 PolarHBondContact O-N 3.36Å; F607-C610 PolarHBondContact O-N 3.36Å; F607-R611 HydrophobicContact CD1-CG 4.39Å; F607-R611 HydrophobicContact CE1-CG 4Å; F607-R611 HydrophobicContact CE2-CG 4.48Å; F607-R611 HydrophobicContact CZ-CG 4.06Å; F607-R611 WeakPolarHBondContact O-CG 3.4Å; F607-R611 PolarHBondContact O-N 3.48Å
608	F	81.8	Confident	79.3	Confident	127 Å²	127	96.8 Å²	96.8	56%	0.557	50%	0.496	S	S	*	.	H	α-helix	trans	-64.1	-40.1	177.3	-165.2	-96.7	0	0	0	111.8	V604 S605 I606 R611 R612	V604-F608 PolarHBondContact O-N 3.22Å; S605-F608 PolarHBondContact O-N 3.04Å; I606-F608 VanDerWaalsContact C-N 3.34Å; I606-F608 PolarHBondContact O-N 3Å; F608-R611 PolarHBondContact O-N 3.36Å; F608-R612 HydrophobicContact CD1-CG 4.14Å; F608-R612 HydrophobicContact CE1-CG 3.96Å; F608-R612 WeakPolarHBondContact O-CG 3.47Å; F608-R612 PolarHBondContact O-N 3.43Å
609	L	80.3	Confident	78.5	Confident	109 Å²	109	99 Å²	99	57%	0.571	50%	0.501	S	S	*	.	H	α-helix	trans	-64.3	-44.1	175.9	-154.2	77.4	0	0	0	111.9	S605 I606 F607 R611 R612 L613	S605-L609 WeakPolarHBondContact O-CB 3.43Å; S605-L609 PolarHBondContact O-N 2.99Å; I606-L609 PolarHBondContact O-N 3.43Å; F607-L609 VanDerWaalsContact C-N 3.33Å; F607-L609 PolarHBondContact O-N 3.36Å; L609-R611 VanDerWaalsContact C-N 3.3Å; L609-R611 PolarHBondContact O-N 3.45Å; L609-R612 PolarHBondContact O-N 2.94Å; L609-L613 HydrophobicContact CG-CD1 4.15Å; L609-L613 WeakPolarHBondContact O-CG 3.45Å; L609-L613 PolarHBondContact O-N 2.87Å
610	C	76.9	Confident	77.7	Confident	52 Å²	52	98.2 Å²	98.2	35%	0.351	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-33.9	176.5	-74	0	0	0	0	112.9	I606 F607 V615	I606-C610 WeakPolarHBondContact O-CB 3.31Å; I606-C610 PolarHBondContact O-N 3.49Å; I606-C610 PolarHBondContact O-SG 3.37Å; I606-C610 VanDerWaalsContact O-SG 3.36Å; F607-C610 PolarHBondContact O-N 3.36Å; C610-V615 PolarHBondContact O-N 2.91Å
611	R	75.8	Confident	76.7	Confident	153 Å²	153	95.7 Å²	95.7	58%	0.577	48%	0.484	S	S	*	.	H	α-helix	trans	-72.8	-37.8	174.3	-70.2	-73.6	-80.3	121.7	-6.8	112.2	F607 F608 L609 L613	F607-R611 HydrophobicContact CD1-CG 4.39Å; F607-R611 HydrophobicContact CE1-CG 4Å; F607-R611 HydrophobicContact CE2-CG 4.48Å; F607-R611 HydrophobicContact CZ-CG 4.06Å; F607-R611 WeakPolarHBondContact O-CG 3.4Å; F607-R611 PolarHBondContact O-N 3.48Å; F608-R611 PolarHBondContact O-N 3.36Å; L609-R611 VanDerWaalsContact C-N 3.3Å; L609-R611 PolarHBondContact O-N 3.45Å; R611-L613 VanDerWaalsContact C-N 3.33Å
612	R	75.4	Confident	75.7	Confident	189 Å²	189	95.4 Å²	95.4	71%	0.713	48%	0.479	S	S	*	.	H	α-helix	trans	-65.7	-33	175.5	-81.1	-86.5	-168.5	159.9	2.9	112.9	F608 L609	F608-R612 HydrophobicContact CD1-CG 4.14Å; F608-R612 HydrophobicContact CE1-CG 3.96Å; F608-R612 WeakPolarHBondContact O-CG 3.47Å; F608-R612 PolarHBondContact O-N 3.43Å; L609-R612 PolarHBondContact O-N 2.94Å
613	L	72.3	Confident	74.7	Confident	111 Å²	111	97.3 Å²	97.3	58%	0.581	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	15.9	-175.3	-65.7	173.1	0	0	0	114.3	L609 R611 V615	L609-L613 HydrophobicContact CG-CD1 4.15Å; L609-L613 WeakPolarHBondContact O-CG 3.45Å; L609-L613 PolarHBondContact O-N 2.87Å; R611-L613 VanDerWaalsContact C-N 3.33Å; L613-V615 HydrophobicContact CB-CG2 4.08Å; L613-V615 PolarHBondContact O-N 2.71Å
614	D	64.7	Low	73.7	Confident	76 Å²	76	95.5 Å²	95.5	41%	0.406	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	21.3	175.5	-87.7	-1.5	0	0	0	115.4	P616 W617 Y618 K776	D614-P616 VanDerWaalsContact C-N 3.31Å; D614-P616 VanDerWaalsContact O-N 3.15Å; D614-W617 WeakPolarHBondContact O-CB 3.48Å; D614-W617 PolarHBondContact O-N 3.03Å; D614-Y618 HydrophobicContact CB-CE2 4.34Å; D614-Y618 WeakPolarHBondContact O-CD2 3.5Å; D614-Y618 PolarHBondContact O-N 2.87Å; D614-K776 IonicContact OD2-NZ 3.87Å; D614-K776 PolarHBondContact OD2-NZ 3.18Å
615	V	69.7	Low	72.6	Confident	57 Å²	57	95.2 Å²	95.2	35%	0.345	46%	0.457	S	S	.	.	H	α-helix	trans	-52.5	-38.4	-176.9	-177.9	0	0	0	0	113.5	C610 L613 W617 Y618 M619	C610-V615 PolarHBondContact O-N 2.91Å; L613-V615 HydrophobicContact CB-CG2 4.08Å; L613-V615 PolarHBondContact O-N 2.71Å; V615-W617 VanDerWaalsContact C-N 3.29Å; V615-W617 PolarHBondContact O-N 3.28Å; V615-Y618 PolarHBondContact O-N 3.33Å; V615-M619 HydrophobicContact CG1-CG 4.09Å; V615-M619 WeakPolarHBondContact O-CG 3.39Å; V615-M619 PolarHBondContact O-N 3.28Å
616	P	67.6	Low	71.8	Confident	82 Å²	82	95 Å²	95	53%	0.532	45%	0.453	S	S	.	.	H	α-helix	trans	-60.2	-34.7	176.9	-24	34.6	0	0	0	114	D614 G620	D614-P616 VanDerWaalsContact C-N 3.31Å; D614-P616 VanDerWaalsContact O-N 3.15Å; P616-G620 PolarHBondContact O-N 3.23Å
617	W	68.2	Low	71	Confident	84 Å²	84	95.3 Å²	95.3	32%	0.318	45%	0.448	S	S	.	.	H	α-helix	trans	-69.1	-44.8	178	-177.8	88	0	0	0	111	D614 V615 G620 M621 K776 L779	D614-W617 WeakPolarHBondContact O-CB 3.48Å; D614-W617 PolarHBondContact O-N 3.03Å; V615-W617 VanDerWaalsContact C-N 3.29Å; V615-W617 PolarHBondContact O-N 3.28Å; W617-G620 PolarHBondContact O-N 2.96Å; W617-M621 HydrophobicContact CD2-CG 4.3Å; W617-M621 HydrophobicContact CH2-CE 4.29Å; W617-M621 HydrophobicContact CH2-CG 3.95Å; W617-M621 HydrophobicContact CZ2-CE 4.27Å; W617-M621 HydrophobicContact CZ2-CG 3.73Å; W617-M621 HydrophobicContact CZ2-SD 4.33Å; W617-M621 HydrophobicContact CZ3-CG 4.37Å; W617-M621 PolarHBondContact O-N 3.36Å; W617-K776 HydrophobicContact CD2-CD 3.95Å; W617-K776 HydrophobicContact CE3-CD 3.8Å; W617-K776 HydrophobicContact CE3-CG 4.23Å; W617-K776 HydrophobicContact CH2-CB 3.41Å; W617-K776 VanDerWaalsContact CH2-CB 3.41Å; W617-K776 HydrophobicContact CH2-CD 3.52Å; W617-K776 HydrophobicContact CH2-CG 3.41Å; W617-K776 VanDerWaalsContact CH2-CG 3.41Å; W617-K776 HydrophobicContact CZ2-CB 3.9Å; W617-K776 HydrophobicContact CZ2-CD 3.61Å; W617-K776 HydrophobicContact CZ2-CG 3.99Å; W617-K776 HydrophobicContact CZ3-CB 4.05Å; W617-K776 HydrophobicContact CZ3-CD 3.59Å; W617-K776 HydrophobicContact CZ3-CG 3.53Å; W617-L779 HydrophobicContact CH2-CD2 4.32Å; W617-L779 HydrophobicContact CZ3-CD2 4.34Å
618	Y	66.6	Low	70	Confident	93 Å²	93	90.4 Å²	90.4	37%	0.365	43%	0.433	S	S	.	.	H	α-helix	trans	-63.5	-43.1	176.8	-75.3	-79.7	0	0	0	112.2	D614 V615 G620 M621 I622	D614-Y618 HydrophobicContact CB-CE2 4.34Å; D614-Y618 WeakPolarHBondContact O-CD2 3.5Å; D614-Y618 PolarHBondContact O-N 2.87Å; V615-Y618 PolarHBondContact O-N 3.33Å; Y618-G620 PolarHBondContact O-N 2.92Å; Y618-M621 PolarHBondContact O-N 3.48Å; Y618-I622 WeakPolarHBondContact O-CB 3.37Å; Y618-I622 WeakPolarHBondContact O-CD1 3.46Å; Y618-I622 VanDerWaalsContact O-CG1 3.26Å; Y618-I622 WeakPolarHBondContact O-CG1 3.42Å; Y618-I622 PolarHBondContact O-N 3.31Å
619	M	69.5	Low	69.2	Low	124 Å²	124	88.3 Å²	88.3	61%	0.611	42%	0.424	S	S	*	.	H	α-helix	trans	-63.7	-40	176.9	-71.1	-63.6	-74.7	0	0	112.1	V615 W623	V615-M619 HydrophobicContact CG1-CG 4.09Å; V615-M619 WeakPolarHBondContact O-CG 3.39Å; V615-M619 PolarHBondContact O-N 3.28Å; M619-W623 VanDerWaalsContact O-CB 3.29Å; M619-W623 WeakPolarHBondContact O-CB 3.26Å; M619-W623 PolarHBondContact O-N 3.44Å
620	G	68.7	Low	68.3	Low	35 Å²	35	88.9 Å²	88.9	36%	0.361	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-45.3	174.7	0	0	0	0	0	113	P616 W617 Y618 W623 Q624	P616-G620 PolarHBondContact O-N 3.23Å; W617-G620 PolarHBondContact O-N 2.96Å; Y618-G620 PolarHBondContact O-N 2.92Å; G620-W623 PolarHBondContact O-N 3.39Å; G620-Q624 WeakPolarHBondContact O-CG 3.41Å; G620-Q624 PolarHBondContact O-N 3.48Å
621	M	67.3	Low	67.7	Low	22 Å²	22	92.7 Å²	92.7	11%	0.108	43%	0.43	C	S	.	.	H	α-helix	trans	-70.1	-37.6	179.3	-77.7	-74.5	-72.5	0	0	113.2	W617 Y618 Q624 W625 L779 N783	W617-M621 HydrophobicContact CD2-CG 4.3Å; W617-M621 HydrophobicContact CH2-CE 4.29Å; W617-M621 HydrophobicContact CH2-CG 3.95Å; W617-M621 HydrophobicContact CZ2-CE 4.27Å; W617-M621 HydrophobicContact CZ2-CG 3.73Å; W617-M621 HydrophobicContact CZ2-SD 4.33Å; W617-M621 HydrophobicContact CZ3-CG 4.37Å; W617-M621 PolarHBondContact O-N 3.36Å; Y618-M621 PolarHBondContact O-N 3.48Å; M621-Q624 PolarHBondContact O-N 2.87Å; M621-W625 PolarHBondContact O-N 2.92Å; M621-L779 HydrophobicContact CB-CD2 3.49Å; M621-L779 VanDerWaalsContact CB-CD2 3.49Å; M621-L779 HydrophobicContact CB-CG 4.44Å; M621-L779 HydrophobicContact CE-CB 4.33Å; M621-L779 HydrophobicContact CE-CD2 3.95Å; M621-L779 HydrophobicContact CE-CG 3.91Å; M621-L779 HydrophobicContact CG-CD2 4.22Å; M621-N783 WeakPolarHBondContact CE-ND2 3.29Å
622	I	68.6	Low	66.8	Low	79 Å²	79	87.9 Å²	87.9	41%	0.405	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-39.6	175.5	-71	166	0	0	0	110.6	Y618 Q624 W625 T626	Y618-I622 WeakPolarHBondContact O-CB 3.37Å; Y618-I622 WeakPolarHBondContact O-CD1 3.46Å; Y618-I622 VanDerWaalsContact O-CG1 3.26Å; Y618-I622 WeakPolarHBondContact O-CG1 3.42Å; Y618-I622 PolarHBondContact O-N 3.31Å; I622-Q624 VanDerWaalsContact C-N 3.34Å; I622-Q624 PolarHBondContact O-N 3.08Å; I622-W625 PolarHBondContact O-N 3.49Å; I622-T626 HydrophobicContact CG2-CG2 4.44Å; I622-T626 WeakPolarHBondContact O-CG2 3.29Å; I622-T626 PolarHBondContact O-N 3.32Å; I622-T626 PolarHBondContact O-OG1 3.49Å
623	W	69.6	Low	66	Low	151 Å²	151	88.6 Å²	88.6	57%	0.572	43%	0.426	S	S	*	.	H	α-helix	trans	-63.5	-38.9	174.4	-174.2	86.9	0	0	0	112.3	M619 G620 T626 R627	M619-W623 VanDerWaalsContact O-CB 3.29Å; M619-W623 WeakPolarHBondContact O-CB 3.26Å; M619-W623 PolarHBondContact O-N 3.44Å; G620-W623 PolarHBondContact O-N 3.39Å; W623-T626 PolarHBondContact O-OG1 3.24Å; W623-T626 VanDerWaalsContact O-OG1 3.05Å; W623-R627 VanDerWaalsContact O-CB 3.31Å; W623-R627 WeakPolarHBondContact O-CB 3.26Å; W623-R627 PolarHBondContact O-N 2.97Å
624	Q	65.9	Low	65	Low	73 Å²	73	90 Å²	90	34%	0.341	43%	0.431	S	S	.	.	H	α-helix	trans	-64.6	-41.6	172.3	-73.1	-178.8	-3.3	0	0	112.2	G620 M621 I622 R627 A628	G620-Q624 WeakPolarHBondContact O-CG 3.41Å; G620-Q624 PolarHBondContact O-N 3.48Å; M621-Q624 PolarHBondContact O-N 2.87Å; I622-Q624 VanDerWaalsContact C-N 3.34Å; I622-Q624 PolarHBondContact O-N 3.08Å; Q624-R627 PolarHBondContact O-N 3.46Å; Q624-A628 VanDerWaalsContact O-CB 3.3Å; Q624-A628 WeakPolarHBondContact O-CB 3.31Å; Q624-A628 PolarHBondContact O-N 3.19Å
625	W	64.2	Low	64.4	Low	84 Å²	84	93.8 Å²	93.8	32%	0.318	44%	0.44	S	S	.	.	H	α-helix	trans	-64	-46	176.9	-179.9	71.9	0	0	0	112.7	M621 I622 R627 A628 K629 N783	M621-W625 PolarHBondContact O-N 2.92Å; I622-W625 PolarHBondContact O-N 3.49Å; W625-R627 VanDerWaalsContact C-N 3.34Å; W625-R627 PolarHBondContact O-N 3.42Å; W625-A628 PolarHBondContact O-N 2.89Å; W625-K629 HydrophobicContact CH2-CD 4.07Å; W625-K629 HydrophobicContact CZ2-CD 3.8Å; W625-K629 VanDerWaalsContact O-CB 3.27Å; W625-K629 WeakPolarHBondContact O-CB 3.45Å; W625-K629 PolarHBondContact O-N 2.86Å; W625-N783 VanDerWaalsContact CB-OD1 3.28Å; W625-N783 WeakPolarHBondContact CB-OD1 3.43Å
626	T	66.4	Low	63.4	Low	65 Å²	65	100.3 Å²	100.3	40%	0.399	47%	0.466	S	S	.	.	H	α-helix	trans	-64.7	-40.2	177.6	54.5	0	0	0	0	111.1	I622 W623 H630	I622-T626 HydrophobicContact CG2-CG2 4.44Å; I622-T626 WeakPolarHBondContact O-CG2 3.29Å; I622-T626 PolarHBondContact O-N 3.32Å; I622-T626 PolarHBondContact O-OG1 3.49Å; W623-T626 PolarHBondContact O-OG1 3.24Å; W623-T626 VanDerWaalsContact O-OG1 3.05Å; T626-H630 WeakPolarHBondContact O-CB 3.18Å; T626-H630 PolarHBondContact O-N 3.18Å
627	R	68.3	Low	62.9	Low	97 Å²	97	100.5 Å²	100.5	37%	0.366	46%	0.463	S	S	.	.	H	α-helix	trans	-64.3	-42.3	174.8	-161.5	175.6	87	160.8	0.7	112.4	W623 Q624 W625 R631	W623-R627 VanDerWaalsContact O-CB 3.31Å; W623-R627 WeakPolarHBondContact O-CB 3.26Å; W623-R627 PolarHBondContact O-N 2.97Å; Q624-R627 PolarHBondContact O-N 3.46Å; W625-R627 VanDerWaalsContact C-N 3.34Å; W625-R627 PolarHBondContact O-N 3.42Å; R627-R631 WeakPolarHBondContact O-CB 3.23Å; R627-R631 WeakPolarHBondContact O-CG 3.27Å; R627-R631 PolarHBondContact O-N 3.36Å; R627-R631 VanDerWaalsContact O-N 3.09Å
628	A	63	Low	62.2	Low	36 Å²	36	104.5 Å²	104.5	30%	0.298	48%	0.478	S	S	.	.	H	α-helix	trans	-66	-45.6	177.4	0	0	0	0	0	111.8	Q624 W625 R631 A632	Q624-A628 VanDerWaalsContact O-CB 3.3Å; Q624-A628 WeakPolarHBondContact O-CB 3.31Å; Q624-A628 PolarHBondContact O-N 3.19Å; W625-A628 PolarHBondContact O-N 2.89Å; A628-R631 PolarHBondContact O-N 3.05Å; A628-A632 WeakPolarHBondContact O-CB 3.41Å; A628-A632 PolarHBondContact O-N 3.2Å
629	K	64	Low	61.8	Low	83 Å²	83	105.1 Å²	105.1	36%	0.361	49%	0.493	S	S	.	.	H	α-helix	trans	-68.2	-37.8	179.3	-169.1	174.2	-176.3	177	0	112.5	W625 A632 R633	W625-K629 HydrophobicContact CH2-CD 4.07Å; W625-K629 HydrophobicContact CZ2-CD 3.8Å; W625-K629 VanDerWaalsContact O-CB 3.27Å; W625-K629 WeakPolarHBondContact O-CB 3.45Å; W625-K629 PolarHBondContact O-N 2.86Å; K629-A632 PolarHBondContact O-N 3.04Å; K629-R633 PolarHBondContact O-N 3.5Å
630	H	61.4	Low	61.1	Low	121 Å²	121	106.1 Å²	106.1	56%	0.56	50%	0.496	S	S	*	.	H	α-helix	trans	-66.7	-41.2	175.3	-168.1	65.3	0	0	0	111.5	T626 A632 R633 M634	T626-H630 WeakPolarHBondContact O-CB 3.18Å; T626-H630 PolarHBondContact O-N 3.18Å; H630-A632 PolarHBondContact O-N 3.21Å; H630-R633 PolarHBondContact O-N 3.45Å; H630-M634 WeakPolarHBondContact O-CB 3.49Å; H630-M634 WeakPolarHBondContact O-CG 3.36Å; H630-M634 PolarHBondContact O-N 3.03Å
631	R	63.8	Low	60.7	Low	132 Å²	132	109.7 Å²	109.7	50%	0.498	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-36.6	172.4	-77.8	-176.2	-169.5	179.3	1.8	113.3	R627 A628	R627-R631 WeakPolarHBondContact O-CB 3.23Å; R627-R631 WeakPolarHBondContact O-CG 3.27Å; R627-R631 PolarHBondContact O-N 3.36Å; R627-R631 VanDerWaalsContact O-N 3.09Å; A628-R631 PolarHBondContact O-N 3.05Å
632	A	58.7	Low	60.5	Low	51 Å²	51	110 Å²	110	42%	0.421	51%	0.509	S	S	.	.	H	α-helix	trans	-68.2	-36.5	176.9	0	0	0	0	0	112.4	A628 K629 H630	A628-A632 WeakPolarHBondContact O-CB 3.41Å; A628-A632 PolarHBondContact O-N 3.2Å; K629-A632 PolarHBondContact O-N 3.04Å; H630-A632 PolarHBondContact O-N 3.21Å
633	R	56.9	Low	60.2	Low	204 Å²	204	112.2 Å²	112.2	77%	0.77	53%	0.526	S	S	*	.	H	α-helix	trans	-80.8	-33.1	178.5	-94.4	-177	173.2	174.3	-4.5	114.9	K629 H630 R635	K629-R633 PolarHBondContact O-N 3.5Å; H630-R633 PolarHBondContact O-N 3.45Å; R633-R635 VanDerWaalsContact C-N 3.27Å; R633-R635 PolarHBondContact O-N 3.33Å
634	M	51.1	Low	60.1	Low	141 Å²	141	107.7 Å²	107.7	70%	0.695	53%	0.526	S	S	*	.	S	Bend	trans	-78.7	-1.7	-175.7	-79.3	-73.6	-82.9	0	0	114.6	H630	H630-M634 WeakPolarHBondContact O-CB 3.49Å; H630-M634 WeakPolarHBondContact O-CG 3.36Å; H630-M634 PolarHBondContact O-N 3.03Å
635	R	54	Low	60.7	Low	155 Å²	155	105 Å²	105	59%	0.585	51%	0.514	S	S	*	.			trans	-105.1	107.7	170.8	-88.2	-174	176.8	149.2	6.5	110.3	R633 L637 D736	R633-R635 VanDerWaalsContact C-N 3.27Å; R633-R635 PolarHBondContact O-N 3.33Å; R635-L637 PolarHBondContact O-N 2.95Å; R635-D736 IonicContact CZ-OD2 2.72Å; R635-D736 IonicContact NH1-OD2 2.62Å; R635-D736 PolarHBondContact NH1-OD2 2.95Å; R635-D736 IonicContact NH2-OD2 3.67Å; R635-D736 PolarHBondContact NH2-OD2 3.3Å
636	Q	48.5	Very low	61.4	Low	195 Å²	195	104.7 Å²	104.7	91%	0.911	52%	0.516	S	S	*	.			trans	-64.2	110.1	159.1	-80	172.8	-30.8	0	0	107.9	R638	Q636-R638 PolarHBondContact O-N 3.38Å
637	L	55.3	Low	62.2	Low	86 Å²	86	103 Å²	103	45%	0.45	50%	0.503	S	S	.	.			trans	-66.7	128.4	169.4	-84.2	99.8	0	0	0	108.5	R635 L642	R635-L637 PolarHBondContact O-N 2.95Å; L637-L642 HydrophobicContact CD2-CD1 4.14Å; L637-L642 HydrophobicContact CD2-CD2 4.05Å; L637-L642 HydrophobicContact CD2-CG 4.15Å
638	R	55.2	Low	63	Low	168 Å²	168	99.3 Å²	99.3	63%	0.634	49%	0.49	S	S	*	.			trans	-76.2	136	169.2	-62.6	-178.5	-164.6	173.3	5.1	107.9	Q636 E640 D641	Q636-R638 PolarHBondContact O-N 3.38Å; R638-E640 PolarHBondContact O-N 2.88Å; R638-E640 VanDerWaalsContact O-N 3.08Å; R638-D641 PolarHBondContact O-N 3.4Å; R638-D641 VanDerWaalsContact O-N 3.14Å
639	P	56.6	Low	64.1	Low	106 Å²	106	97.6 Å²	97.6	69%	0.688	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-56.4	-24.9	177.6	-24.2	32.7	0	0	0	113.7	D641 L642	P639-D641 VanDerWaalsContact C-N 3.34Å; P639-D641 PolarHBondContact O-N 3.09Å; P639-L642 PolarHBondContact O-N 3.36Å
640	E	56.6	Low	65.1	Low	144 Å²	144	93.7 Å²	93.7	67%	0.673	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-64	-32.8	178.7	-62.7	162.5	-154.2	0	0	113.2	R638 L642	R638-E640 PolarHBondContact O-N 2.88Å; R638-E640 VanDerWaalsContact O-N 3.08Å; E640-L642 VanDerWaalsContact C-N 3.28Å; E640-L642 PolarHBondContact O-N 3.12Å
641	D	60.2	Low	66.3	Low	111 Å²	111	88 Å²	88	59%	0.594	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-80.1	-7.1	-177.6	-65.2	-35.1	0	0	0	113.3	R638 P639 I645	R638-D641 PolarHBondContact O-N 3.4Å; R638-D641 VanDerWaalsContact O-N 3.14Å; P639-D641 VanDerWaalsContact C-N 3.34Å; P639-D641 PolarHBondContact O-N 3.09Å; D641-I645 VanDerWaalsContact O-CD1 3.31Å; D641-I645 WeakPolarHBondContact O-CD1 3.44Å
642	L	63	Low	67.2	Low	29 Å²	29	81.7 Å²	81.7	15%	0.152	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-101.3	-4.2	-177.5	-72.9	162.6	0	0	0	113.2	L637 P639 E640 G644 I645 L792	L637-L642 HydrophobicContact CD2-CD1 4.14Å; L637-L642 HydrophobicContact CD2-CD2 4.05Å; L637-L642 HydrophobicContact CD2-CG 4.15Å; P639-L642 PolarHBondContact O-N 3.36Å; E640-L642 VanDerWaalsContact C-N 3.28Å; E640-L642 PolarHBondContact O-N 3.12Å; L642-G644 PolarHBondContact O-N 2.98Å; L642-I645 HydrophobicContact CD2-CD1 4.5Å; L642-I645 PolarHBondContact O-N 3.34Å; L642-L792 HydrophobicContact CD2-CD2 3.93Å
643	V	61.9	Low	68.4	Low	125 Å²	125	79.8 Å²	79.8	76%	0.758	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	117.4	179.2	-177.9	0	0	0	0	109.2
644	G	67.9	Low	69.7	Low	56 Å²	56	70.3 Å²	70.3	58%	0.577	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	1	-179.7	0	0	0	0	0	116.1	L642	L642-G644 PolarHBondContact O-N 2.98Å
645	I	77.1	Confident	71	Confident	16 Å²	16	69.5 Å²	69.5	8%	0.082	35%	0.35	C	S	.	.			trans	-89.4	117.7	177.6	-58.5	-175	0	0	0	110.8	D641 L642 F647 K701 R703 L792	D641-I645 VanDerWaalsContact O-CD1 3.31Å; D641-I645 WeakPolarHBondContact O-CD1 3.44Å; L642-I645 HydrophobicContact CD2-CD1 4.5Å; L642-I645 PolarHBondContact O-N 3.34Å; I645-F647 WeakPolarHBondContact CG2-O 3.41Å; I645-K701 CarbonylContact C-O 3.57Å; I645-K701 WeakPolarHBondContact CG2-O 3.47Å; I645-R703 HydrophobicContact CG2-CB 4.13Å; I645-L792 HydrophobicContact CB-CD2 4.4Å; I645-L792 HydrophobicContact CG2-CD2 3.71Å
646	E	80.4	Confident	72.4	Confident	77 Å²	77	69.1 Å²	69.1	36%	0.36	36%	0.355	S	S	.	.			trans	-103.3	-25.7	179.4	-68.3	175	-162.6	0	0	112.7	R677 K701	E646-R677 PolarHBondContact O-NE 3.34Å; E646-R677 PolarHBondContact O-NH2 3.02Å; E646-R677 VanDerWaalsContact O-NH2 3.15Å; E646-K701 HydrophobicContact CB-CB 4.42Å; E646-K701 VanDerWaalsContact CD-NZ 3.28Å; E646-K701 HydrophobicContact CG-CD 4.49Å; E646-K701 PolarHBondContact N-O 3.34Å; E646-K701 IonicContact OE1-NZ 2.83Å; E646-K701 PolarHBondContact OE1-NZ 2.81Å; E646-K701 IonicContact OE2-NZ 2.73Å; E646-K701 PolarHBondContact OE2-NZ 3.34Å; E646-K701 VanDerWaalsContact OE2-NZ 3.15Å
647	F	82.9	Confident	74.2	Confident	31 Å²	31	60.8 Å²	60.8	14%	0.136	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.3	-174.2	-60	-87.6	0	0	0	112.3	I645 R677 C679 D684 K701 S702 R703	I645-F647 WeakPolarHBondContact CG2-O 3.41Å; F647-R677 HydrophobicContact CD1-CB 4.01Å; F647-C679 HydrophobicContact CB-CB 4.13Å; F647-C679 HydrophobicContact CD1-CB 3.96Å; F647-C679 HydrophobicContact CD2-CB 3.81Å; F647-C679 HydrophobicContact CE1-CB 4.28Å; F647-C679 HydrophobicContact CE2-CB 4.16Å; F647-C679 VanDerWaalsContact CE2-SG 3.56Å; F647-C679 HydrophobicContact CG-CB 3.71Å; F647-C679 HydrophobicContact CZ-CB 4.37Å; F647-D684 HydrophobicContact CZ-CB 4.49Å; F647-K701 HydrophobicContact CD2-CB 4.12Å; F647-K701 PolarHBondContact N-O 3.37Å; F647-S702 WeakPolarHBondContact CB-OG 3.26Å; F647-S702 CarbonylContact O-C 3.56Å; F647-S702 WeakPolarHBondContact O-CA 3.44Å; F647-R703 PolarHBondContact O-N 3.49Å
648	H	83.8	Confident	75.5	Confident	19 Å²	19	57 Å²	57	9%	0.088	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-35.2	174.9	-62.9	88.1	0	0	0	111.1	L676 R677 R703 R704 A790 L792	H648-L676 HydrophobicContact CB-CB 4.2Å; H648-L676 HydrophobicContact CB-CD2 4.07Å; H648-R677 PolarHBondContact N-O 3.22Å; H648-R677 PolarHBondContact ND1-N 2.92Å; H648-R703 WeakPolarHBondContact O-CB 3.4Å; H648-R704 PolarHBondContact O-N 3.47Å; H648-A790 PolarHBondContact CD2-O 3.19Å; H648-A790 PolarHBondContact NE2-O 3.46Å; H648-L792 HydrophobicContact CB-CD1 4.41Å
649	A	86.3	Confident	77	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.8	172.8	0	0	0	0	0	113.4	I678 C679 R704 V706 L788	A649-I678 HydrophobicContact CB-CD1 4Å; A649-I678 CarbonylContact O-C 3.56Å; A649-I678 WeakPolarHBondContact O-CA 3.42Å; A649-C679 PolarHBondContact O-N 2.84Å; A649-R704 CarbonylContact C-O 3.21Å; A649-R704 WeakPolarHBondContact CA-O 3.46Å; A649-R704 HydrophobicContact CB-CB 4.43Å; A649-R704 WeakPolarHBondContact CB-O 3.4Å; A649-V706 HydrophobicContact CB-CG2 3.91Å; A649-L788 HydrophobicContact CB-CD1 4.23Å; A649-L788 HydrophobicContact CB-CD2 4.01Å
650	F	85.8	Confident	78.5	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.3	161.3	166.2	-114	0	0	0	108.2	C679 I695 C698 V699 S702 R704 S705 V706	F650-C679 WeakPolarHBondContact CA-O 3.37Å; F650-C679 HydrophobicContact CB-CB 4.34Å; F650-C679 HydrophobicContact CD2-CB 4.23Å; F650-C679 WeakPolarHBondContact CD2-O 3.38Å; F650-I695 HydrophobicContact CE1-CG2 4.36Å; F650-I695 HydrophobicContact CZ-CG2 4.2Å; F650-C698 HydrophobicContact CD2-CB 3.58Å; F650-C698 HydrophobicContact CE2-CB 3.97Å; F650-C698 HydrophobicContact CG-CB 4.24Å; F650-V699 HydrophobicContact CD1-CG2 3.59Å; F650-V699 HydrophobicContact CE1-CG2 3.87Å; F650-V699 HydrophobicContact CG-CG2 4.21Å; F650-S702 WeakPolarHBondContact CB-OG 3.1Å; F650-S702 VanDerWaalsContact N-CB 3.33Å; F650-S702 PolarHBondContact N-OG 3.17Å; F650-R704 PolarHBondContact N-O 3.05Å; F650-S705 CarbonylContact O-C 3.56Å; F650-S705 WeakPolarHBondContact O-CA 3.28Å; F650-V706 PolarHBondContact O-N 3.08Å
651	V	86.3	Confident	79.9	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.8	177.7	-178.8	0	0	0	0	109.7	Y653 L665 I678 C679 V706 L708	V651-Y653 HydrophobicContact CG1-CD1 3.92Å; V651-L665 HydrophobicContact CG1-CD2 4.06Å; V651-L665 HydrophobicContact CG2-CD2 3.92Å; V651-I678 HydrophobicContact CB-CG2 4.16Å; V651-I678 HydrophobicContact CG2-CG2 3.38Å; V651-C679 PolarHBondContact N-O 3.22Å; V651-V706 WeakPolarHBondContact CA-O 3.49Å; V651-V706 HydrophobicContact CG2-CB 4.11Å; V651-L708 HydrophobicContact CG1-CD1 3.62Å; V651-L708 HydrophobicContact CG1-CG 4.35Å
652	S	82.8	Confident	81	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.9	174.8	167.7	0	0	0	0	109.6	V706 F707 L708 F713 E722	S652-V706 PolarHBondContact N-O 3.42Å; S652-F707 WeakPolarHBondContact OG-CD1 3.47Å; S652-F707 WeakPolarHBondContact OG-CE1 3.45Å; S652-L708 PolarHBondContact O-N 3.14Å; S652-F713 WeakPolarHBondContact OG-CE2 3.28Å; S652-F713 WeakPolarHBondContact OG-CZ 3.38Å; S652-E722 VanDerWaalsContact CB-OE2 3.28Å; S652-E722 WeakPolarHBondContact CB-OE2 3.28Å; S652-E722 PolarHBondContact OG-OE2 3.2Å
653	Y	84	Confident	82	Confident	10 Å²	10	46.3 Å²	46.3	4%	0.039	25%	0.245	C	C	.	.			trans	-154.1	165.4	-175	63.3	-82	0	0	0	111.8	V651 A658 V661 H680 H681 L708	V651-Y653 HydrophobicContact CG1-CD1 3.92Å; Y653-A658 HydrophobicContact CE2-CB 3.78Å; Y653-V661 HydrophobicContact CD1-CG1 4.25Å; Y653-V661 HydrophobicContact CD1-CG2 4.18Å; Y653-V661 HydrophobicContact CD2-CB 4.26Å; Y653-V661 HydrophobicContact CD2-CG2 3.71Å; Y653-V661 HydrophobicContact CE1-CG1 3.94Å; Y653-V661 HydrophobicContact CE2-CB 4.17Å; Y653-V661 HydrophobicContact CE2-CG1 4.39Å; Y653-V661 HydrophobicContact CE2-CG2 4.14Å; Y653-V661 HydrophobicContact CG-CG2 3.73Å; Y653-H680 HydrophobicContact CE1-CB 4.32Å; Y653-H681 AromaticContact CE1-CD2 3.56Å; Y653-H681 AromaticContact CE1-NE2 3.55Å; Y653-H681 AromaticContact CE2-NE2 3.3Å; Y653-H681 VanDerWaalsContact CE2-NE2 3.3Å; Y653-H681 WeakPolarHBondContact CE2-NE2 3.08Å; Y653-H681 AromaticContact CZ-CD2 3.52Å; Y653-H681 AromaticContact CZ-CE1 3.96Å; Y653-H681 AromaticContact CZ-NE2 2.98Å; Y653-H681 PolarHBondContact OH-NE2 2.89Å; Y653-L708 HydrophobicContact CG-CD1 4.49Å
654	S	82.9	Confident	83.2	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.042	23%	0.229	C	C	.	.			trans	-82	145.5	176.9	-168.9	0	0	0	0	109.9	H656 D657 A658	S654-H656 PolarHBondContact O-N 3.25Å; S654-D657 WeakPolarHBondContact CB-OD2 3.28Å; S654-D657 WeakPolarHBondContact O-CA 3.49Å; S654-D657 PolarHBondContact O-N 2.95Å; S654-A658 PolarHBondContact O-N 2.99Å
655	Q	80.1	Confident	84.1	Confident	123 Å²	123	42.2 Å²	42.2	58%	0.575	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-55.3	-29.3	173.1	-163.4	66.8	24.6	0	0	112.4	D657 A658 H681	Q655-D657 PolarHBondContact O-N 3.31Å; Q655-A658 VanDerWaalsContact O-CB 3.27Å; Q655-A658 WeakPolarHBondContact O-CB 3.49Å; Q655-A658 PolarHBondContact O-N 3Å; Q655-H681 PolarHBondContact OE1-CE1 3.03Å
656	H	83.2	Confident	84.4	Confident	147 Å²	147	42.3 Å²	42.3	68%	0.681	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-68.7	-19.8	175.6	-69.3	-68.8	0	0	0	114	S654 H712	S654-H656 PolarHBondContact O-N 3.25Å; H656-H712 HydrophobicContact CB-CB 3.99Å
657	D	85	Confident	84.6	Confident	21 Å²	21	44.1 Å²	44.1	11%	0.112	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-100.8	4.6	179.2	-56.2	-48.8	0	0	0	112.1	S654 Q655 D659 W660 V661 S710 L743	S654-D657 WeakPolarHBondContact CB-OD2 3.28Å; S654-D657 WeakPolarHBondContact O-CA 3.49Å; S654-D657 PolarHBondContact O-N 2.95Å; Q655-D657 PolarHBondContact O-N 3.31Å; D657-D659 VanDerWaalsContact C-N 3.33Å; D657-D659 PolarHBondContact O-N 3.43Å; D657-W660 PolarHBondContact O-N 3.1Å; D657-W660 VanDerWaalsContact O-N 3.1Å; D657-V661 PolarHBondContact O-N 3.28Å; D657-V661 VanDerWaalsContact O-N 3.11Å; D657-S710 WeakPolarHBondContact OD2-CB 3.27Å; D657-S710 PolarHBondContact OD2-OG 3.24Å; D657-L743 HydrophobicContact CB-CD1 4.35Å
658	A	83.8	Confident	84.6	Confident	6 Å²	6	44.7 Å²	44.7	5%	0.05	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-39	-173.6	0	0	0	0	0	113.6	Y653 S654 Q655 W660 V661 K662	Y653-A658 HydrophobicContact CE2-CB 3.78Å; S654-A658 PolarHBondContact O-N 2.99Å; Q655-A658 VanDerWaalsContact O-CB 3.27Å; Q655-A658 WeakPolarHBondContact O-CB 3.49Å; Q655-A658 PolarHBondContact O-N 3Å; A658-W660 VanDerWaalsContact C-N 3.31Å; A658-W660 PolarHBondContact O-N 2.98Å; A658-V661 PolarHBondContact O-N 3.44Å; A658-K662 WeakPolarHBondContact O-CG 3.42Å; A658-K662 PolarHBondContact O-N 3.12Å
659	D	86.4	Confident	84.6	Confident	117 Å²	117	43.9 Å²	43.9	63%	0.626	22%	0.215	S	C	*	.	H	α-helix	trans	-62.9	-38.7	177.9	-70.6	-28.1	0	0	0	111.9	D657 N663	D657-D659 VanDerWaalsContact C-N 3.33Å; D657-D659 PolarHBondContact O-N 3.43Å; D659-N663 VanDerWaalsContact O-CB 3.27Å; D659-N663 WeakPolarHBondContact O-CB 3.48Å; D659-N663 PolarHBondContact O-N 2.77Å; D659-N663 PolarHBondContact O-ND2 3.35Å
660	W	88.6	Confident	84.4	Confident	42 Å²	42	47 Å²	47	16%	0.159	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-41.5	176.8	-174.3	93.6	0	0	0	110.9	D657 A658 F664 L665 L708 L743 W770 W781	D657-W660 PolarHBondContact O-N 3.1Å; D657-W660 VanDerWaalsContact O-N 3.1Å; A658-W660 VanDerWaalsContact C-N 3.31Å; A658-W660 PolarHBondContact O-N 2.98Å; W660-F664 AromaticContact CD1-CD2 3.72Å; W660-F664 HydrophobicContact CD2-CB 4.34Å; W660-F664 HydrophobicContact CG-CD2 4.15Å; W660-F664 HydrophobicContact CZ2-CB 4.37Å; W660-F664 WeakPolarHBondContact O-CA 3.31Å; W660-F664 WeakPolarHBondContact O-CB 3.44Å; W660-F664 PolarHBondContact O-N 3.04Å; W660-L665 HydrophobicContact CE3-CB 4.29Å; W660-L665 HydrophobicContact CH2-CB 4.32Å; W660-L665 HydrophobicContact CH2-CD1 4.08Å; W660-L665 HydrophobicContact CZ3-CB 3.72Å; W660-L665 HydrophobicContact CZ3-CD1 3.71Å; W660-L665 HydrophobicContact CZ3-CG 4.35Å; W660-L665 PolarHBondContact O-N 3.35Å; W660-L708 HydrophobicContact CE3-CD2 4.46Å; W660-L708 HydrophobicContact CH2-CD2 4.25Å; W660-L708 HydrophobicContact CZ3-CD1 4.27Å; W660-L708 HydrophobicContact CZ3-CD2 3.64Å; W660-L743 HydrophobicContact CD2-CD1 4.46Å; W660-L743 HydrophobicContact CD2-CD2 3.78Å; W660-L743 HydrophobicContact CE3-CD1 4.26Å; W660-L743 HydrophobicContact CE3-CD2 3.71Å; W660-L743 HydrophobicContact CH2-CD2 3.42Å; W660-L743 VanDerWaalsContact CH2-CD2 3.42Å; W660-L743 HydrophobicContact CZ2-CD2 3.47Å; W660-L743 VanDerWaalsContact CZ2-CD2 3.47Å; W660-L743 HydrophobicContact CZ3-CD2 3.54Å; W660-W770 HydrophobicContact CH2-CE3 4.42Å; W660-W770 AromaticContact CZ2-CD2 3.79Å; W660-W770 HydrophobicContact CZ2-CD2 3.79Å; W660-W770 AromaticContact CZ2-CE3 3.74Å; W660-W770 HydrophobicContact CZ2-CE3 3.74Å; W660-W770 HydrophobicContact CZ2-CG 4.38Å; W660-W770 HydrophobicContact CZ2-CH2 4.18Å; W660-W770 HydrophobicContact CZ2-CZ2 4.22Å; W660-W770 AromaticContact CZ2-CZ3 3.95Å; W660-W770 HydrophobicContact CZ2-CZ3 3.95Å; W660-W781 HydrophobicContact CH2-CH2 4.05Å; W660-W781 HydrophobicContact CZ2-CH2 4.28Å
661	V	86.4	Confident	83.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-62.1	-47.3	178.2	175.5	0	0	0	0	111.5	Y653 D657 A658 L665 L666 L708	Y653-V661 HydrophobicContact CD1-CG1 4.25Å; Y653-V661 HydrophobicContact CD1-CG2 4.18Å; Y653-V661 HydrophobicContact CD2-CB 4.26Å; Y653-V661 HydrophobicContact CD2-CG2 3.71Å; Y653-V661 HydrophobicContact CE1-CG1 3.94Å; Y653-V661 HydrophobicContact CE2-CB 4.17Å; Y653-V661 HydrophobicContact CE2-CG1 4.39Å; Y653-V661 HydrophobicContact CE2-CG2 4.14Å; Y653-V661 HydrophobicContact CG-CG2 3.73Å; D657-V661 PolarHBondContact O-N 3.28Å; D657-V661 VanDerWaalsContact O-N 3.11Å; A658-V661 PolarHBondContact O-N 3.44Å; V661-L665 HydrophobicContact CG1-CB 4.4Å; V661-L665 HydrophobicContact CG1-CD2 4.18Å; V661-L665 CarbonylContact O-C 3.45Å; V661-L665 WeakPolarHBondContact O-CA 3.49Å; V661-L665 WeakPolarHBondContact O-CB 3.4Å; V661-L665 PolarHBondContact O-N 3.06Å; V661-L665 VanDerWaalsContact O-N 3.11Å; V661-L666 HydrophobicContact CG1-CD1 4.31Å; V661-L666 HydrophobicContact CG1-CG 4.06Å; V661-L666 PolarHBondContact O-N 3.27Å; V661-L708 HydrophobicContact CG2-CD1 3.36Å
662	K	83.1	Confident	82.3	Confident	76 Å²	76	54.8 Å²	54.8	33%	0.33	28%	0.283	S	S	.	.	I	π-helix	trans	-64.4	-51.4	179	-71.2	171.3	-175.8	172.9	0	112.5	A658 E682	A658-K662 WeakPolarHBondContact O-CG 3.42Å; A658-K662 PolarHBondContact O-N 3.12Å; K662-E682 WeakPolarHBondContact CE-OE1 3.49Å; K662-E682 WeakPolarHBondContact CE-OE2 3.3Å; K662-E682 IonicContact NZ-OE1 2.89Å; K662-E682 PolarHBondContact NZ-OE1 3.22Å; K662-E682 IonicContact NZ-OE2 3.76Å; K662-E682 PolarHBondContact NZ-OE2 3.45Å
663	N	83.7	Confident	80.9	Confident	98 Å²	98	58.5 Å²	58.5	52%	0.524	31%	0.314	S	S	.	.	I	π-helix	trans	-80.5	-28.5	-169.5	-65.3	-43	0	0	0	113.3	D659 L667	D659-N663 VanDerWaalsContact O-CB 3.27Å; D659-N663 WeakPolarHBondContact O-CB 3.48Å; D659-N663 PolarHBondContact O-N 2.77Å; D659-N663 PolarHBondContact O-ND2 3.35Å; N663-L667 WeakPolarHBondContact O-CB 3.48Å
664	F	85.7	Confident	79.8	Confident	95 Å²	95	60.4 Å²	60.4	42%	0.417	34%	0.336	S	S	.	.	I	π-helix	trans	-113.4	-55.8	-177.3	-63.4	-87.8	0	0	0	112.4	W660 N668 W781	W660-F664 AromaticContact CD1-CD2 3.72Å; W660-F664 HydrophobicContact CD2-CB 4.34Å; W660-F664 HydrophobicContact CG-CD2 4.15Å; W660-F664 HydrophobicContact CZ2-CB 4.37Å; W660-F664 WeakPolarHBondContact O-CA 3.31Å; W660-F664 WeakPolarHBondContact O-CB 3.44Å; W660-F664 PolarHBondContact O-N 3.04Å; F664-N668 VanDerWaalsContact O-CB 3.28Å; F664-N668 WeakPolarHBondContact O-CB 3.32Å; F664-N668 PolarHBondContact O-N 2.92Å; F664-N668 VanDerWaalsContact O-N 3.1Å; F664-N668 PolarHBondContact O-ND2 3.47Å; F664-W781 HydrophobicContact CB-CH2 4.38Å; F664-W781 HydrophobicContact CB-CZ2 4.21Å
665	L	86.8	Confident	79.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.356	C	S	.	.	I	π-helix	trans	-70.1	-55.5	-171.8	-170.5	121.2	0	0	0	112.6	V651 W660 V661 L667 N668 L669 L708 W781 L784	V651-L665 HydrophobicContact CG1-CD2 4.06Å; V651-L665 HydrophobicContact CG2-CD2 3.92Å; W660-L665 HydrophobicContact CE3-CB 4.29Å; W660-L665 HydrophobicContact CH2-CB 4.32Å; W660-L665 HydrophobicContact CH2-CD1 4.08Å; W660-L665 HydrophobicContact CZ3-CB 3.72Å; W660-L665 HydrophobicContact CZ3-CD1 3.71Å; W660-L665 HydrophobicContact CZ3-CG 4.35Å; W660-L665 PolarHBondContact O-N 3.35Å; V661-L665 HydrophobicContact CG1-CB 4.4Å; V661-L665 HydrophobicContact CG1-CD2 4.18Å; V661-L665 CarbonylContact O-C 3.45Å; V661-L665 WeakPolarHBondContact O-CA 3.49Å; V661-L665 WeakPolarHBondContact O-CB 3.4Å; V661-L665 PolarHBondContact O-N 3.06Å; V661-L665 VanDerWaalsContact O-N 3.11Å; L665-L667 PolarHBondContact O-N 3.18Å; L665-N668 PolarHBondContact O-N 2.94Å; L665-L669 HydrophobicContact CD1-CD1 4.3Å; L665-L669 HydrophobicContact CD2-CD1 3.78Å; L665-L669 HydrophobicContact CG-CD1 3.74Å; L665-L669 HydrophobicContact CG-CG 4.4Å; L665-L669 WeakPolarHBondContact O-CB 3.48Å; L665-L669 VanDerWaalsContact O-CG 3.28Å; L665-L669 WeakPolarHBondContact O-CG 3.39Å; L665-L669 PolarHBondContact O-N 2.93Å; L665-L708 HydrophobicContact CD1-CD1 4.2Å; L665-L708 HydrophobicContact CD1-CD2 4.04Å; L665-W781 HydrophobicContact CB-CH2 4.46Å; L665-W781 HydrophobicContact CD1-CZ3 4.5Å; L665-L784 HydrophobicContact CD1-CD2 4.17Å
666	L	84.8	Confident	79.2	Confident	18 Å²	18	56.8 Å²	56.8	9%	0.094	33%	0.331	C	S	.	.	I	π-helix	trans	-64.5	-43	-179.2	-66.1	179.6	0	0	0	110.9	V661 N668 L669 E670 I678	V661-L666 HydrophobicContact CG1-CD1 4.31Å; V661-L666 HydrophobicContact CG1-CG 4.06Å; V661-L666 PolarHBondContact O-N 3.27Å; L666-N668 VanDerWaalsContact C-N 3.26Å; L666-N668 PolarHBondContact O-N 3.43Å; L666-L669 PolarHBondContact O-N 2.79Å; L666-E670 HydrophobicContact CD2-CG 4.4Å; L666-E670 WeakPolarHBondContact O-CB 3.26Å; L666-E670 PolarHBondContact O-N 3.03Å; L666-I678 HydrophobicContact CD2-CB 4.19Å; L666-I678 HydrophobicContact CD2-CG2 4.03Å
667	L	83.4	Confident	79.3	Confident	116 Å²	116	53.7 Å²	53.7	61%	0.607	31%	0.313	S	S	*	.	H	α-helix	trans	-60.8	-34.8	178.1	-157.9	138.9	0	0	0	112.6	N663 L665 G671	N663-L667 WeakPolarHBondContact O-CB 3.48Å; L665-L667 PolarHBondContact O-N 3.18Å; L667-G671 WeakPolarHBondContact O-CA 3.45Å; L667-G671 PolarHBondContact O-N 2.9Å
668	N	83.4	Confident	79.4	Confident	43 Å²	43	52.7 Å²	52.7	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-86.2	-20.4	176.3	-77.3	-76.6	0	0	0	114.5	F664 L665 L666 W781 R785	F664-N668 VanDerWaalsContact O-CB 3.28Å; F664-N668 WeakPolarHBondContact O-CB 3.32Å; F664-N668 PolarHBondContact O-N 2.92Å; F664-N668 VanDerWaalsContact O-N 3.1Å; F664-N668 PolarHBondContact O-ND2 3.47Å; L665-N668 PolarHBondContact O-N 2.94Å; L666-N668 VanDerWaalsContact C-N 3.26Å; L666-N668 PolarHBondContact O-N 3.43Å; N668-W781 HydrophobicContact CB-CD2 3.82Å; N668-W781 HydrophobicContact CB-CE3 3.8Å; N668-W781 HydrophobicContact CB-CG 4.42Å; N668-W781 HydrophobicContact CB-CH2 4.21Å; N668-W781 HydrophobicContact CB-CZ2 4.2Å; N668-W781 HydrophobicContact CB-CZ3 4.01Å; N668-R785 PolarHBondContact O-NE 3.27Å; N668-R785 PolarHBondContact O-NH2 3.42Å
669	L	83.6	Confident	79.5	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-99.2	-38.7	-179.2	-64.8	-178.4	0	0	0	113.3	L665 L666 L676 I678 L784 R785 L788	L665-L669 HydrophobicContact CD1-CD1 4.3Å; L665-L669 HydrophobicContact CD2-CD1 3.78Å; L665-L669 HydrophobicContact CG-CD1 3.74Å; L665-L669 HydrophobicContact CG-CG 4.4Å; L665-L669 WeakPolarHBondContact O-CB 3.48Å; L665-L669 VanDerWaalsContact O-CG 3.28Å; L665-L669 WeakPolarHBondContact O-CG 3.39Å; L665-L669 PolarHBondContact O-N 2.93Å; L666-L669 PolarHBondContact O-N 2.79Å; L669-L676 HydrophobicContact CD2-CD1 4.14Å; L669-L676 PolarHBondContact O-N 3.2Å; L669-I678 HydrophobicContact CB-CG1 4.38Å; L669-I678 HydrophobicContact CD1-CD1 4.35Å; L669-L784 HydrophobicContact CD1-CD2 4.31Å; L669-L784 HydrophobicContact CD2-CD2 4.27Å; L669-L784 HydrophobicContact CD2-CG 4.34Å; L669-R785 HydrophobicContact CD2-CG 3.79Å; L669-L788 HydrophobicContact CD1-CD1 4.08Å
670	E	81.9	Confident	79.4	Confident	64 Å²	64	47.6 Å²	47.6	30%	0.299	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-9.7	178.6	-51.7	-154.1	130.5	0	0	113.1	L666 L676 I678 K683	L666-E670 HydrophobicContact CD2-CG 4.4Å; L666-E670 WeakPolarHBondContact O-CB 3.26Å; L666-E670 PolarHBondContact O-N 3.03Å; E670-L676 WeakPolarHBondContact CG-O 3.32Å; E670-I678 HydrophobicContact CG-CB 4.44Å; E670-I678 HydrophobicContact CG-CG1 4.09Å; E670-I678 PolarHBondContact OE1-N 3.2Å; E670-I678 VanDerWaalsContact OE1-N 3.16Å; E670-K683 IonicContact OE2-NZ 2.79Å
671	G	70.4	Confident	78.8	Confident	16 Å²	16	47.4 Å²	47.4	17%	0.165	28%	0.28	C	S	.	.	S	Bend	trans	-63.5	175.7	-174.2	0	0	0	0	0	116	L667 A673 G674	L667-G671 WeakPolarHBondContact O-CA 3.45Å; L667-G671 PolarHBondContact O-N 2.9Å; G671-A673 PolarHBondContact O-N 3.45Å; G671-G674 PolarHBondContact O-N 2.96Å
672	P	57.8	Low	78.2	Confident	151 Å²	151	51.4 Å²	51.4	98%	0.981	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-5.1	-165.6	22.9	-33.1	0	0	0	116.2
673	A	53.2	Low	78	Confident	78 Å²	78	54 Å²	54	65%	0.645	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	20.8	-176.2	0	0	0	0	0	114.4	G671	G671-A673 PolarHBondContact O-N 3.45Å
674	G	61.4	Low	77.8	Confident	49 Å²	49	51.5 Å²	51.5	51%	0.505	30%	0.297	S	S	.	.	S	Bend	trans	124.7	70	176.1	0	0	0	0	0	112.9	G671 L676	G671-G674 PolarHBondContact O-N 2.96Å; G674-L676 PolarHBondContact O-N 3.38Å
675	G	68.9	Low	77.5	Confident	46 Å²	46	48.9 Å²	48.9	47%	0.474	29%	0.286	S	S	.	.			trans	-63.4	107.9	-168.7	0	0	0	0	0	114.3
676	L	82.6	Confident	77.1	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.037	31%	0.309	C	S	.	.			trans	-72.3	124.9	166.1	-63.4	170.7	0	0	0	108.3	H648 L669 E670 G674 I678 R785 L788 Q789	H648-L676 HydrophobicContact CB-CB 4.2Å; H648-L676 HydrophobicContact CB-CD2 4.07Å; L669-L676 HydrophobicContact CD2-CD1 4.14Å; L669-L676 PolarHBondContact O-N 3.2Å; E670-L676 WeakPolarHBondContact CG-O 3.32Å; G674-L676 PolarHBondContact O-N 3.38Å; L676-I678 HydrophobicContact CB-CD1 4.11Å; L676-I678 PolarHBondContact O-N 3.05Å; L676-R785 HydrophobicContact CD1-CG 4.44Å; L676-L788 HydrophobicContact CD1-CB 3.81Å; L676-L788 HydrophobicContact CD1-CD1 4.36Å; L676-Q789 HydrophobicContact CD2-CB 4.38Å
677	R	85.3	Confident	76.6	Confident	82 Å²	82	57.9 Å²	57.9	31%	0.309	34%	0.343	S	S	.	.			trans	-64.2	116.9	168	-60.3	-175.5	-67.3	-165.5	4.1	111	E646 F647 H648	E646-R677 PolarHBondContact O-NE 3.34Å; E646-R677 PolarHBondContact O-NH2 3.02Å; E646-R677 VanDerWaalsContact O-NH2 3.15Å; F647-R677 HydrophobicContact CD1-CB 4.01Å; H648-R677 PolarHBondContact N-O 3.22Å; H648-R677 PolarHBondContact ND1-N 2.92Å
678	I	86.7	Confident	76.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127	-179.4	-57.1	-58.6	0	0	0	111.2	A649 V651 L666 L669 E670 L676	A649-I678 HydrophobicContact CB-CD1 4Å; A649-I678 CarbonylContact O-C 3.56Å; A649-I678 WeakPolarHBondContact O-CA 3.42Å; V651-I678 HydrophobicContact CB-CG2 4.16Å; V651-I678 HydrophobicContact CG2-CG2 3.38Å; L666-I678 HydrophobicContact CD2-CB 4.19Å; L666-I678 HydrophobicContact CD2-CG2 4.03Å; L669-I678 HydrophobicContact CB-CG1 4.38Å; L669-I678 HydrophobicContact CD1-CD1 4.35Å; E670-I678 HydrophobicContact CG-CB 4.44Å; E670-I678 HydrophobicContact CG-CG1 4.09Å; E670-I678 PolarHBondContact OE1-N 3.2Å; E670-I678 VanDerWaalsContact OE1-N 3.16Å; L676-I678 HydrophobicContact CB-CD1 4.11Å; L676-I678 PolarHBondContact O-N 3.05Å
679	C	85.3	Confident	75.8	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.02	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	126	172.6	-147.1	0	0	0	0	109.4	F647 A649 F650 V651 D684 C698	F647-C679 HydrophobicContact CB-CB 4.13Å; F647-C679 HydrophobicContact CD1-CB 3.96Å; F647-C679 HydrophobicContact CD2-CB 3.81Å; F647-C679 HydrophobicContact CE1-CB 4.28Å; F647-C679 HydrophobicContact CE2-CB 4.16Å; F647-C679 VanDerWaalsContact CE2-SG 3.56Å; F647-C679 HydrophobicContact CG-CB 3.71Å; F647-C679 HydrophobicContact CZ-CB 4.37Å; A649-C679 PolarHBondContact O-N 2.84Å; F650-C679 WeakPolarHBondContact CA-O 3.37Å; F650-C679 HydrophobicContact CB-CB 4.34Å; F650-C679 HydrophobicContact CD2-CB 4.23Å; F650-C679 WeakPolarHBondContact CD2-O 3.38Å; V651-C679 PolarHBondContact N-O 3.22Å; C679-D684 WeakPolarHBondContact CA-OD2 3.15Å; C679-C698 HydrophobicContact CB-CB 3.93Å; C679-C698 WeakPolarHBondContact CB-SG 3.37Å; C679-C698 WeakPolarHBondContact SG-CA 3.34Å; C679-C698 WeakPolarHBondContact SG-CB 3.34Å; C679-C698 CovalentContact SG-SG 2.06Å; C679-C698 PolarHBondContact SG-SG 2.88Å
680	H	84.7	Confident	75.5	Confident	12 Å²	12	63.2 Å²	63.2	6%	0.056	39%	0.391	C	S	.	.			trans	-149.3	158.3	174.8	69.7	-69.3	0	0	0	113.2	Y653 E682 K683 D684	Y653-H680 HydrophobicContact CE1-CB 4.32Å; H680-E682 VanDerWaalsContact C-N 3.32Å; H680-E682 PolarHBondContact O-N 3.2Å; H680-K683 WeakPolarHBondContact CE1-CB 3.49Å; H680-K683 PolarHBondContact O-N 3.46Å; H680-D684 PolarHBondContact N-OD2 3.15Å; H680-D684 IonicContact ND1-OD2 2.95Å; H680-D684 PolarHBondContact O-N 2.8Å; H680-D684 VanDerWaalsContact O-N 3.12Å
681	H	74.9	Confident	74.9	Confident	38 Å²	38	63.8 Å²	63.8	18%	0.176	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.7	-165.3	67.6	81.2	0	0	0	115.9	Y653 Q655 F685	Y653-H681 AromaticContact CE1-CD2 3.56Å; Y653-H681 AromaticContact CE1-NE2 3.55Å; Y653-H681 AromaticContact CE2-NE2 3.3Å; Y653-H681 VanDerWaalsContact CE2-NE2 3.3Å; Y653-H681 WeakPolarHBondContact CE2-NE2 3.08Å; Y653-H681 AromaticContact CZ-CD2 3.52Å; Y653-H681 AromaticContact CZ-CE1 3.96Å; Y653-H681 AromaticContact CZ-NE2 2.98Å; Y653-H681 PolarHBondContact OH-NE2 2.89Å; Q655-H681 PolarHBondContact OE1-CE1 3.03Å; H681-F685 HydrophobicContact CB-CD1 4.32Å; H681-F685 HydrophobicContact CB-CD2 3.85Å; H681-F685 HydrophobicContact CB-CE1 3.97Å; H681-F685 HydrophobicContact CB-CE2 3.41Å; H681-F685 VanDerWaalsContact CB-CE2 3.41Å; H681-F685 HydrophobicContact CB-CG 4.28Å; H681-F685 HydrophobicContact CB-CZ 3.48Å; H681-F685 VanDerWaalsContact CB-CZ 3.48Å; H681-F685 WeakPolarHBondContact O-CB 3.43Å; H681-F685 WeakPolarHBondContact O-CG 3.28Å
682	E	74.1	Confident	74.8	Confident	84 Å²	84	67 Å²	67	39%	0.393	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-20.5	-177.9	-60.9	-165.2	176.7	0	0	114.2	K662 H680	K662-E682 WeakPolarHBondContact CE-OE1 3.49Å; K662-E682 WeakPolarHBondContact CE-OE2 3.3Å; K662-E682 IonicContact NZ-OE1 2.89Å; K662-E682 PolarHBondContact NZ-OE1 3.22Å; K662-E682 IonicContact NZ-OE2 3.76Å; K662-E682 PolarHBondContact NZ-OE2 3.45Å; H680-E682 VanDerWaalsContact C-N 3.32Å; H680-E682 PolarHBondContact O-N 3.2Å
683	K	78.6	Confident	75.5	Confident	130 Å²	130	64.2 Å²	64.2	57%	0.565	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-40.4	-173.1	-175.8	-178.7	176.7	-175.7	0	112.9	E670 H680	E670-K683 IonicContact OE2-NZ 2.79Å; H680-K683 WeakPolarHBondContact CE1-CB 3.49Å; H680-K683 PolarHBondContact O-N 3.46Å
684	D	79.9	Confident	76.7	Confident	46 Å²	46	61 Å²	61	25%	0.246	35%	0.353	C	S	.	.	S	Bend	trans	-106.7	-1.8	-165.4	-53.8	-65.7	0	0	0	113.3	F647 C679 H680	F647-D684 HydrophobicContact CZ-CB 4.49Å; C679-D684 WeakPolarHBondContact CA-OD2 3.15Å; H680-D684 PolarHBondContact N-OD2 3.15Å; H680-D684 IonicContact ND1-OD2 2.95Å; H680-D684 PolarHBondContact O-N 2.8Å; H680-D684 VanDerWaalsContact O-N 3.12Å
685	F	80.8	Confident	77.3	Confident	41 Å²	41	59 Å²	59	18%	0.18	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-80.1	128.1	177.7	-77.8	15.3	0	0	0	110.7	H681 P687 I691 N694 I695	H681-F685 HydrophobicContact CB-CD1 4.32Å; H681-F685 HydrophobicContact CB-CD2 3.85Å; H681-F685 HydrophobicContact CB-CE1 3.97Å; H681-F685 HydrophobicContact CB-CE2 3.41Å; H681-F685 VanDerWaalsContact CB-CE2 3.41Å; H681-F685 HydrophobicContact CB-CG 4.28Å; H681-F685 HydrophobicContact CB-CZ 3.48Å; H681-F685 VanDerWaalsContact CB-CZ 3.48Å; H681-F685 WeakPolarHBondContact O-CB 3.43Å; H681-F685 WeakPolarHBondContact O-CG 3.28Å; F685-P687 WeakPolarHBondContact O-CD 3.49Å; F685-I691 HydrophobicContact CE2-CG2 3.92Å; F685-N694 HydrophobicContact CB-CB 4.1Å; F685-N694 HydrophobicContact CD1-CB 3.63Å; F685-N694 HydrophobicContact CD2-CB 3.76Å; F685-N694 HydrophobicContact CE1-CB 3.9Å; F685-N694 HydrophobicContact CE2-CB 4.04Å; F685-N694 HydrophobicContact CG-CB 3.55Å; F685-N694 HydrophobicContact CZ-CB 4.1Å; F685-I695 HydrophobicContact CE1-CG1 4.5Å; F685-I695 HydrophobicContact CE2-CG1 4.23Å; F685-I695 HydrophobicContact CZ-CG1 3.6Å
686	V	76.9	Confident	77.5	Confident	80 Å²	80	58.8 Å²	58.8	49%	0.485	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-86.4	123.6	-178.6	-176	0	0	0	0	109.2	K689 N694	V686-K689 PolarHBondContact O-N 2.9Å; V686-N694 PolarHBondContact N-OD1 2.79Å; V686-N694 PolarHBondContact O-ND2 3.29Å; V686-N694 VanDerWaalsContact O-ND2 3.09Å
687	P	74.8	Confident	77.2	Confident	126 Å²	126	60.5 Å²	60.5	82%	0.818	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	137.1	174.6	-23	33.7	0	0	0	111.6	F685	F685-P687 WeakPolarHBondContact O-CD 3.49Å
688	G	73.2	Confident	77	Confident	90 Å²	90	56.9 Å²	56.9	93%	0.928	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	-13	179.5	0	0	0	0	0	115.5
689	K	78	Confident	76.5	Confident	106 Å²	106	57.6 Å²	57.6	46%	0.461	32%	0.321	S	S	.	.	S	Bend	trans	-90.6	157.1	166.2	-70.2	-169.8	176.5	-173.1	0	111.3	V686 E693	V686-K689 PolarHBondContact O-N 2.9Å; K689-E693 HydrophobicContact CB-CB 4.3Å
690	T	75.4	Confident	76	Confident	77 Å²	77	62.2 Å²	62.2	47%	0.472	34%	0.342	S	S	.	.			trans	-66.4	149.7	171.8	67.7	0	0	0	0	110.1	M692 E693 N694	T690-M692 PolarHBondContact O-N 3.43Å; T690-M692 VanDerWaalsContact O-N 3.16Å; T690-E693 PolarHBondContact N-OE2 3.24Å; T690-E693 PolarHBondContact O-N 2.85Å; T690-E693 VanDerWaalsContact O-N 3.07Å; T690-E693 VanDerWaalsContact OG1-CG 3.32Å; T690-E693 WeakPolarHBondContact OG1-CG 3.33Å; T690-E693 PolarHBondContact OG1-N 3.38Å; T690-N694 PolarHBondContact O-N 3.25Å; T690-N694 VanDerWaalsContact O-N 3.07Å
691	I	71	Confident	75.8	Confident	77 Å²	77	64.9 Å²	64.9	40%	0.395	35%	0.354	S	S	.	.	H	α-helix	trans	-56.3	-34.7	177.2	-65.2	167.9	0	0	0	110.4	F685 N694 I695 W718	F685-I691 HydrophobicContact CE2-CG2 3.92Å; I691-N694 PolarHBondContact O-N 3.31Å; I691-I695 HydrophobicContact CG2-CD1 3.88Å; I691-I695 HydrophobicContact CG2-CG1 4.46Å; I691-I695 WeakPolarHBondContact O-CD1 3.41Å; I691-I695 VanDerWaalsContact O-CG1 3.29Å; I691-I695 WeakPolarHBondContact O-CG1 2.79Å; I691-I695 PolarHBondContact O-N 3.35Å; I691-W718 HydrophobicContact CB-CH2 3.72Å; I691-W718 HydrophobicContact CB-CZ3 3.87Å; I691-W718 HydrophobicContact CD1-CH2 3.3Å; I691-W718 HydrophobicContact CD1-CZ2 3.7Å; I691-W718 HydrophobicContact CD1-CZ3 4.22Å; I691-W718 HydrophobicContact CG1-CH2 4.07Å; I691-W718 HydrophobicContact CG2-CE3 4.15Å; I691-W718 HydrophobicContact CG2-CH2 3.53Å; I691-W718 HydrophobicContact CG2-CZ3 3.24Å
692	M	67.4	Low	76.1	Confident	82 Å²	82	63 Å²	63	40%	0.404	35%	0.345	S	S	.	.	H	α-helix	trans	-63.3	-46.2	175.6	-175.9	170.3	143.2	0	0	112.9	T690 N694 I695 I696 F725	T690-M692 PolarHBondContact O-N 3.43Å; T690-M692 VanDerWaalsContact O-N 3.16Å; M692-N694 VanDerWaalsContact C-N 3.3Å; M692-N694 PolarHBondContact O-N 3.23Å; M692-I695 PolarHBondContact O-N 2.91Å; M692-I696 HydrophobicContact CE-CD1 4.12Å; M692-I696 HydrophobicContact CG-CD1 4.02Å; M692-I696 VanDerWaalsContact O-CG1 3.29Å; M692-I696 WeakPolarHBondContact O-CG1 3.4Å; M692-I696 PolarHBondContact O-N 2.86Å; M692-F725 HydrophobicContact CE-CE1 4.19Å; M692-F725 HydrophobicContact CE-CE2 4.12Å; M692-F725 HydrophobicContact CE-CZ 3.71Å; M692-F725 HydrophobicContact SD-CE2 4.19Å; M692-F725 HydrophobicContact SD-CZ 4.35Å
693	E	72	Confident	76.3	Confident	94 Å²	94	61.2 Å²	61.2	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-37.4	175.6	-76.8	166.4	-176.9	0	0	112.4	K689 T690 I696 T697	K689-E693 HydrophobicContact CB-CB 4.3Å; T690-E693 PolarHBondContact N-OE2 3.24Å; T690-E693 PolarHBondContact O-N 2.85Å; T690-E693 VanDerWaalsContact O-N 3.07Å; T690-E693 VanDerWaalsContact OG1-CG 3.32Å; T690-E693 WeakPolarHBondContact OG1-CG 3.33Å; T690-E693 PolarHBondContact OG1-N 3.38Å; E693-I696 PolarHBondContact O-N 3.39Å; E693-T697 WeakPolarHBondContact O-CB 3.28Å; E693-T697 PolarHBondContact O-N 2.77Å; E693-T697 PolarHBondContact O-OG1 2.86Å
694	N	78.3	Confident	76.4	Confident	10 Å²	10	57.3 Å²	57.3	5%	0.053	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-42.3	176.2	-82.6	-42.8	0	0	0	112	F685 V686 T690 I691 M692 T697 C698	F685-N694 HydrophobicContact CB-CB 4.1Å; F685-N694 HydrophobicContact CD1-CB 3.63Å; F685-N694 HydrophobicContact CD2-CB 3.76Å; F685-N694 HydrophobicContact CE1-CB 3.9Å; F685-N694 HydrophobicContact CE2-CB 4.04Å; F685-N694 HydrophobicContact CG-CB 3.55Å; F685-N694 HydrophobicContact CZ-CB 4.1Å; V686-N694 PolarHBondContact N-OD1 2.79Å; V686-N694 PolarHBondContact O-ND2 3.29Å; V686-N694 VanDerWaalsContact O-ND2 3.09Å; T690-N694 PolarHBondContact O-N 3.25Å; T690-N694 VanDerWaalsContact O-N 3.07Å; I691-N694 PolarHBondContact O-N 3.31Å; M692-N694 VanDerWaalsContact C-N 3.3Å; M692-N694 PolarHBondContact O-N 3.23Å; N694-T697 PolarHBondContact O-N 3.5Å; N694-C698 PolarHBondContact O-N 3.11Å
695	I	75.4	Confident	76.4	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-47.9	173.9	-67.5	159	0	0	0	110.6	F650 F685 I691 M692 T697 C698 V699 E722	F650-I695 HydrophobicContact CE1-CG2 4.36Å; F650-I695 HydrophobicContact CZ-CG2 4.2Å; F685-I695 HydrophobicContact CE1-CG1 4.5Å; F685-I695 HydrophobicContact CE2-CG1 4.23Å; F685-I695 HydrophobicContact CZ-CG1 3.6Å; I691-I695 HydrophobicContact CG2-CD1 3.88Å; I691-I695 HydrophobicContact CG2-CG1 4.46Å; I691-I695 WeakPolarHBondContact O-CD1 3.41Å; I691-I695 VanDerWaalsContact O-CG1 3.29Å; I691-I695 WeakPolarHBondContact O-CG1 2.79Å; I691-I695 PolarHBondContact O-N 3.35Å; M692-I695 PolarHBondContact O-N 2.91Å; I695-T697 VanDerWaalsContact C-N 3.31Å; I695-T697 PolarHBondContact O-N 3.16Å; I695-C698 PolarHBondContact O-N 2.65Å; I695-V699 HydrophobicContact CG2-CG2 4.18Å; I695-V699 WeakPolarHBondContact O-CB 3.4Å; I695-V699 VanDerWaalsContact O-CG2 3.31Å; I695-V699 WeakPolarHBondContact O-CG2 3.27Å; I695-V699 PolarHBondContact O-N 2.9Å; I695-E722 HydrophobicContact CD1-CG 3.62Å; I695-E722 WeakPolarHBondContact CD1-OE1 3.4Å; I695-E722 HydrophobicContact CG1-CG 4.22Å; I695-E722 HydrophobicContact CG2-CG 4.14Å
696	I	72.4	Confident	76.5	Confident	41 Å²	41	53.6 Å²	53.6	21%	0.21	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-47	179.5	-68.9	165.9	0	0	0	109.9	M692 E693 C698 V699 E700	M692-I696 HydrophobicContact CE-CD1 4.12Å; M692-I696 HydrophobicContact CG-CD1 4.02Å; M692-I696 VanDerWaalsContact O-CG1 3.29Å; M692-I696 WeakPolarHBondContact O-CG1 3.4Å; M692-I696 PolarHBondContact O-N 2.86Å; E693-I696 PolarHBondContact O-N 3.39Å; I696-C698 PolarHBondContact O-N 3.25Å; I696-V699 PolarHBondContact O-N 2.83Å; I696-E700 HydrophobicContact CG2-CG 4.36Å; I696-E700 WeakPolarHBondContact O-CB 3.41Å; I696-E700 WeakPolarHBondContact O-CG 3.42Å; I696-E700 PolarHBondContact O-N 3.28Å
697	T	76.4	Confident	76.8	Confident	43 Å²	43	49.8 Å²	49.8	26%	0.264	28%	0.276	S	S	.	.	H	α-helix	trans	-59.8	-45.3	177.8	-53.7	0	0	0	0	111.6	E693 N694 I695 K701	E693-T697 WeakPolarHBondContact O-CB 3.28Å; E693-T697 PolarHBondContact O-N 2.77Å; E693-T697 PolarHBondContact O-OG1 2.86Å; N694-T697 PolarHBondContact O-N 3.5Å; I695-T697 VanDerWaalsContact C-N 3.31Å; I695-T697 PolarHBondContact O-N 3.16Å; T697-K701 HydrophobicContact CG2-CD 4.03Å; T697-K701 WeakPolarHBondContact O-CB 3.44Å; T697-K701 VanDerWaalsContact O-CG 3.32Å; T697-K701 WeakPolarHBondContact O-CG 3.3Å; T697-K701 PolarHBondContact O-N 3.08Å
698	C	81.1	Confident	77.3	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.034	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-41.5	176.7	-99.3	0	0	0	0	112.3	F650 C679 N694 I695 I696 S702	F650-C698 HydrophobicContact CD2-CB 3.58Å; F650-C698 HydrophobicContact CE2-CB 3.97Å; F650-C698 HydrophobicContact CG-CB 4.24Å; C679-C698 HydrophobicContact CB-CB 3.93Å; C679-C698 WeakPolarHBondContact CB-SG 3.37Å; C679-C698 WeakPolarHBondContact SG-CA 3.34Å; C679-C698 WeakPolarHBondContact SG-CB 3.34Å; C679-C698 CovalentContact SG-SG 2.06Å; C679-C698 PolarHBondContact SG-SG 2.88Å; N694-C698 PolarHBondContact O-N 3.11Å; I695-C698 PolarHBondContact O-N 2.65Å; I696-C698 PolarHBondContact O-N 3.25Å; C698-S702 WeakPolarHBondContact O-CB 3.31Å; C698-S702 PolarHBondContact O-N 3.25Å; C698-S702 VanDerWaalsContact O-N 3.08Å; C698-S702 PolarHBondContact O-OG 2.93Å
699	V	76.3	Confident	77.7	Confident	17 Å²	17	39.5 Å²	39.5	10%	0.103	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-44.3	179.5	170.5	0	0	0	0	110.7	F650 I695 I696 S702 R730	F650-V699 HydrophobicContact CD1-CG2 3.59Å; F650-V699 HydrophobicContact CE1-CG2 3.87Å; F650-V699 HydrophobicContact CG-CG2 4.21Å; I695-V699 HydrophobicContact CG2-CG2 4.18Å; I695-V699 WeakPolarHBondContact O-CB 3.4Å; I695-V699 VanDerWaalsContact O-CG2 3.31Å; I695-V699 WeakPolarHBondContact O-CG2 3.27Å; I695-V699 PolarHBondContact O-N 2.9Å; I696-V699 PolarHBondContact O-N 2.83Å; V699-S702 PolarHBondContact O-N 2.62Å; V699-R730 PolarHBondContact O-NH1 3.48Å
700	E	74.1	Confident	78.1	Confident	99 Å²	99	34.6 Å²	34.6	46%	0.463	17%	0.172	S	C	.	.	H	α-helix	trans	-63.3	-44.9	178.4	-73.5	178.5	165.7	0	0	111.7	I696 S702 Q729 R730	I696-E700 HydrophobicContact CG2-CG 4.36Å; I696-E700 WeakPolarHBondContact O-CB 3.41Å; I696-E700 WeakPolarHBondContact O-CG 3.42Å; I696-E700 PolarHBondContact O-N 3.28Å; E700-S702 VanDerWaalsContact C-N 3.27Å; E700-S702 PolarHBondContact O-N 2.79Å; E700-Q729 PolarHBondContact OE1-NE2 3.34Å; E700-R730 PolarHBondContact O-NH1 3.15Å; E700-R730 PolarHBondContact O-NH2 2.8Å
701	K	80.4	Confident	78.4	Confident	68 Å²	68	32 Å²	32	30%	0.296	16%	0.158	S	C	.	.	H	α-helix	trans	-76.3	-5.8	179.3	-68.4	-174.4	171.5	-150.2	0	114.6	I645 E646 F647 T697	I645-K701 CarbonylContact C-O 3.57Å; I645-K701 WeakPolarHBondContact CG2-O 3.47Å; E646-K701 HydrophobicContact CB-CB 4.42Å; E646-K701 VanDerWaalsContact CD-NZ 3.28Å; E646-K701 HydrophobicContact CG-CD 4.49Å; E646-K701 PolarHBondContact N-O 3.34Å; E646-K701 IonicContact OE1-NZ 2.83Å; E646-K701 PolarHBondContact OE1-NZ 2.81Å; E646-K701 IonicContact OE2-NZ 2.73Å; E646-K701 PolarHBondContact OE2-NZ 3.34Å; E646-K701 VanDerWaalsContact OE2-NZ 3.15Å; F647-K701 HydrophobicContact CD2-CB 4.12Å; F647-K701 PolarHBondContact N-O 3.37Å; T697-K701 HydrophobicContact CG2-CD 4.03Å; T697-K701 WeakPolarHBondContact O-CB 3.44Å; T697-K701 VanDerWaalsContact O-CG 3.32Å; T697-K701 WeakPolarHBondContact O-CG 3.3Å; T697-K701 PolarHBondContact O-N 3.08Å
702	S	81.5	Confident	78.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.5	-179	-65.5	0	0	0	0	112.4	F647 F650 C698 V699 E700 R730	F647-S702 WeakPolarHBondContact CB-OG 3.26Å; F647-S702 CarbonylContact O-C 3.56Å; F647-S702 WeakPolarHBondContact O-CA 3.44Å; F650-S702 WeakPolarHBondContact CB-OG 3.1Å; F650-S702 VanDerWaalsContact N-CB 3.33Å; F650-S702 PolarHBondContact N-OG 3.17Å; C698-S702 WeakPolarHBondContact O-CB 3.31Å; C698-S702 PolarHBondContact O-N 3.25Å; C698-S702 VanDerWaalsContact O-N 3.08Å; C698-S702 PolarHBondContact O-OG 2.93Å; V699-S702 PolarHBondContact O-N 2.62Å; E700-S702 VanDerWaalsContact C-N 3.27Å; E700-S702 PolarHBondContact O-N 2.79Å; S702-R730 PolarHBondContact O-NH1 2.72Å
703	R	78.6	Confident	79.5	Confident	45 Å²	45	28.8 Å²	28.8	17%	0.17	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-36.8	178.4	-166.3	-174.6	79.4	111.3	-11.4	113.4	I645 F647 H648 A787 L788 Q789	I645-R703 HydrophobicContact CG2-CB 4.13Å; F647-R703 PolarHBondContact O-N 3.49Å; H648-R703 WeakPolarHBondContact O-CB 3.4Å; R703-A787 PolarHBondContact NH2-O 3.32Å; R703-L788 PolarHBondContact NH2-O 3.41Å; R703-Q789 PolarHBondContact NH2-O 3.32Å
704	R	80.5	Confident	79.6	Confident	48 Å²	48	24.9 Å²	24.9	18%	0.181	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.3	-178.8	-66.8	-169	173.3	-151.9	-2.1	110.7	H648 A649 F650 S737 A787 L788	H648-R704 PolarHBondContact O-N 3.47Å; A649-R704 CarbonylContact C-O 3.21Å; A649-R704 WeakPolarHBondContact CA-O 3.46Å; A649-R704 HydrophobicContact CB-CB 4.43Å; A649-R704 WeakPolarHBondContact CB-O 3.4Å; F650-R704 PolarHBondContact N-O 3.05Å; R704-S737 CarbonylContact C-O 3.57Å; R704-S737 VanDerWaalsContact CA-O 3.28Å; R704-S737 WeakPolarHBondContact CA-O 3.47Å; R704-S737 WeakPolarHBondContact CB-O 3.42Å; R704-A787 WeakPolarHBondContact CD-O 3.25Å; R704-A787 PolarHBondContact NE-O 3.28Å; R704-A787 PolarHBondContact NH1-O 3.04Å; R704-L788 HydrophobicContact CB-CD2 4.15Å
705	S	79.8	Confident	79.2	Confident	9 Å²	9	32.1 Å²	32.1	6%	0.063	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.2	170.7	-58.5	0	0	0	0	109.2	F650 S737 V739	F650-S705 CarbonylContact O-C 3.56Å; F650-S705 WeakPolarHBondContact O-CA 3.28Å; S705-S737 PolarHBondContact N-O 2.93Å; S705-V739 PolarHBondContact O-N 3.24Å
706	V	83.8	Confident	79	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.5	176.1	179.2	0	0	0	0	108.2	A649 F650 V651 S652 V739 V741 L788	A649-V706 HydrophobicContact CB-CG2 3.91Å; F650-V706 PolarHBondContact O-N 3.08Å; V651-V706 WeakPolarHBondContact CA-O 3.49Å; V651-V706 HydrophobicContact CG2-CB 4.11Å; S652-V706 PolarHBondContact N-O 3.42Å; V706-V739 CarbonylContact C-O 3.59Å; V706-V739 VanDerWaalsContact CA-O 3.3Å; V706-V739 WeakPolarHBondContact CA-O 3.49Å; V706-V739 HydrophobicContact CG2-CB 4.17Å; V706-V741 HydrophobicContact CG1-CG2 3.93Å; V706-L788 HydrophobicContact CG2-CD1 3.89Å; V706-L788 HydrophobicContact CG2-CD2 3.62Å; V706-L788 HydrophobicContact CG2-CG 4.36Å
707	F	81.6	Confident	78.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.8	176.2	-75.4	-93.2	0	0	0	109.7	S652 L709 F713 E722 L723 A726 L738 V739 L740 V741	S652-F707 WeakPolarHBondContact OG-CD1 3.47Å; S652-F707 WeakPolarHBondContact OG-CE1 3.45Å; F707-L709 HydrophobicContact CB-CD2 4.42Å; F707-F713 HydrophobicContact CD1-CE1 4.14Å; F707-F713 AromaticContact CD1-CZ 3.76Å; F707-F713 HydrophobicContact CD1-CZ 3.76Å; F707-F713 HydrophobicContact CE1-CZ 4.34Å; F707-E722 HydrophobicContact CE1-CB 4.32Å; F707-L723 HydrophobicContact CD1-CD2 4.26Å; F707-L723 HydrophobicContact CD1-CG 3.87Å; F707-L723 HydrophobicContact CE1-CB 4.4Å; F707-L723 HydrophobicContact CE1-CD2 4.23Å; F707-L723 HydrophobicContact CE1-CG 3.74Å; F707-L723 HydrophobicContact CZ-CG 4.49Å; F707-A726 HydrophobicContact CE2-CB 3.83Å; F707-A726 HydrophobicContact CZ-CB 3.46Å; F707-A726 VanDerWaalsContact CZ-CB 3.46Å; F707-L738 HydrophobicContact CD2-CD1 3.28Å; F707-L738 HydrophobicContact CD2-CG 4.11Å; F707-L738 HydrophobicContact CE2-CD1 3.2Å; F707-L738 HydrophobicContact CE2-CG 4.44Å; F707-L738 HydrophobicContact CG-CD1 4.47Å; F707-L738 HydrophobicContact CZ-CD1 4.34Å; F707-V739 PolarHBondContact N-O 3.33Å; F707-L740 HydrophobicContact CB-CD2 3.82Å; F707-L740 HydrophobicContact CG-CD2 4.47Å; F707-V741 PolarHBondContact O-N 2.81Å
708	L	85.4	Confident	77.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	103.1	174.4	-74.3	162.7	0	0	0	109.3	V651 S652 Y653 W660 V661 L665 F713 V741 L743	V651-L708 HydrophobicContact CG1-CD1 3.62Å; V651-L708 HydrophobicContact CG1-CG 4.35Å; S652-L708 PolarHBondContact O-N 3.14Å; Y653-L708 HydrophobicContact CG-CD1 4.49Å; W660-L708 HydrophobicContact CE3-CD2 4.46Å; W660-L708 HydrophobicContact CH2-CD2 4.25Å; W660-L708 HydrophobicContact CZ3-CD1 4.27Å; W660-L708 HydrophobicContact CZ3-CD2 3.64Å; V661-L708 HydrophobicContact CG2-CD1 3.36Å; L665-L708 HydrophobicContact CD1-CD1 4.2Å; L665-L708 HydrophobicContact CD1-CD2 4.04Å; L708-F713 WeakPolarHBondContact O-CB 3.32Å; L708-F713 WeakPolarHBondContact O-CG 3.49Å; L708-V741 HydrophobicContact CD2-CB 3.75Å; L708-V741 HydrophobicContact CD2-CG1 3.59Å; L708-L743 HydrophobicContact CD2-CD1 4.48Å; L708-L743 HydrophobicContact CD2-CD2 4.04Å; L708-L743 HydrophobicContact CD2-CG 4.22Å
709	L	82.9	Confident	76	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.9	-178.5	-56.8	178.2	0	0	0	109.8	F707 F713 L740 V741 L742 L743 L746 L758 M762	F707-L709 HydrophobicContact CB-CD2 4.42Å; L709-F713 HydrophobicContact CD2-CD1 3.69Å; L709-F713 HydrophobicContact CD2-CE1 3.79Å; L709-L740 HydrophobicContact CD1-CB 4.28Å; L709-L740 HydrophobicContact CD1-CD1 4.4Å; L709-L740 HydrophobicContact CD1-CD2 4.23Å; L709-V741 PolarHBondContact N-O 2.83Å; L709-L742 HydrophobicContact CB-CD1 4.02Å; L709-L743 PolarHBondContact O-N 3.36Å; L709-L746 HydrophobicContact CB-CD1 4Å; L709-L758 HydrophobicContact CD1-CD1 3.95Å; L709-L758 HydrophobicContact CD2-CD1 4.29Å; L709-L758 HydrophobicContact CD2-CD2 4.45Å; L709-M762 HydrophobicContact CD1-SD 4.32Å
710	S	85.4	Confident	75	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	21%	0.214	C	C	.	.			trans	-130.3	171	168.8	72.4	0	0	0	0	109.7	D657 H712 F713 I714	D657-S710 WeakPolarHBondContact OD2-CB 3.27Å; D657-S710 PolarHBondContact OD2-OG 3.24Å; S710-H712 PolarHBondContact O-N 3.1Å; S710-H712 PolarHBondContact OG-N 2.84Å; S710-F713 PolarHBondContact O-N 3.04Å; S710-F713 WeakPolarHBondContact OG-CB 3.49Å; S710-F713 PolarHBondContact OG-N 3.11Å; S710-I714 PolarHBondContact O-N 3.27Å
711	A	81.4	Confident	74.2	Confident	22 Å²	22	47.8 Å²	47.8	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-32.3	174.6	0	0	0	0	0	111.4	K715 E744 L746	A711-K715 VanDerWaalsContact O-CG 3.31Å; A711-K715 WeakPolarHBondContact O-CG 3.34Å; A711-K715 PolarHBondContact O-N 3.04Å; A711-E744 WeakPolarHBondContact CB-OE1 3.22Å; A711-E744 PolarHBondContact N-OE1 2.56Å; A711-L746 HydrophobicContact CB-CD2 4.03Å
712	H	82.1	Confident	73	Confident	92 Å²	92	45.2 Å²	45.2	43%	0.426	20%	0.203	S	C	.	.	H	α-helix	trans	-70.6	-40.4	175.4	-59.1	105.6	0	0	0	111.8	H656 S710 I714 K715 S716	H656-H712 HydrophobicContact CB-CB 3.99Å; S710-H712 PolarHBondContact O-N 3.1Å; S710-H712 PolarHBondContact OG-N 2.84Å; H712-I714 PolarHBondContact O-N 3.18Å; H712-K715 PolarHBondContact O-N 2.89Å; H712-S716 WeakPolarHBondContact O-CB 3.17Å; H712-S716 PolarHBondContact O-N 2.87Å
713	F	79.3	Confident	71.7	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-50.5	176.3	-171.8	-102.8	0	0	0	111	S652 F707 L708 L709 S710 K715 S716 C719 L723	S652-F713 WeakPolarHBondContact OG-CE2 3.28Å; S652-F713 WeakPolarHBondContact OG-CZ 3.38Å; F707-F713 HydrophobicContact CD1-CE1 4.14Å; F707-F713 AromaticContact CD1-CZ 3.76Å; F707-F713 HydrophobicContact CD1-CZ 3.76Å; F707-F713 HydrophobicContact CE1-CZ 4.34Å; L708-F713 WeakPolarHBondContact O-CB 3.32Å; L708-F713 WeakPolarHBondContact O-CG 3.49Å; L709-F713 HydrophobicContact CD2-CD1 3.69Å; L709-F713 HydrophobicContact CD2-CE1 3.79Å; S710-F713 PolarHBondContact O-N 3.04Å; S710-F713 WeakPolarHBondContact OG-CB 3.49Å; S710-F713 PolarHBondContact OG-N 3.11Å; F713-K715 VanDerWaalsContact C-N 3.29Å; F713-K715 PolarHBondContact O-N 2.82Å; F713-S716 PolarHBondContact O-N 2.79Å; F713-S716 PolarHBondContact O-OG 2.94Å; F713-C719 HydrophobicContact CE1-CB 4.39Å; F713-C719 HydrophobicContact CZ-CB 4.45Å; F713-C719 WeakPolarHBondContact O-CB 3.37Å; F713-C719 PolarHBondContact O-SG 3.12Å; F713-L723 HydrophobicContact CE1-CD1 3.74Å; F713-L723 HydrophobicContact CE1-CG 4.5Å; F713-L723 HydrophobicContact CZ-CD1 4.42Å
714	I	75.5	Confident	70.7	Confident	12 Å²	12	50.4 Å²	50.4	6%	0.062	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-32.2	-178.8	-66.5	172.1	0	0	0	113	S710 H712 L746 L750 I751	S710-I714 PolarHBondContact O-N 3.27Å; H712-I714 PolarHBondContact O-N 3.18Å; I714-L746 HydrophobicContact CD1-CD1 3.45Å; I714-L746 VanDerWaalsContact CD1-CD1 3.45Å; I714-L746 HydrophobicContact CD1-CD2 4.3Å; I714-L746 HydrophobicContact CD1-CG 4.39Å; I714-L746 HydrophobicContact CG1-CD1 4.46Å; I714-L750 WeakPolarHBondContact CG2-O 3.33Å; I714-I751 HydrophobicContact CD1-CG1 3.87Å
715	K	70.4	Confident	69.5	Low	161 Å²	161	50.9 Å²	50.9	70%	0.7	23%	0.229	S	C	*	.	H	α-helix	trans	-83.3	-19.8	-178.8	-72	175.2	-178.1	176.9	0	113.9	A711 H712 F713	A711-K715 VanDerWaalsContact O-CG 3.31Å; A711-K715 WeakPolarHBondContact O-CG 3.34Å; A711-K715 PolarHBondContact O-N 3.04Å; H712-K715 PolarHBondContact O-N 2.89Å; F713-K715 VanDerWaalsContact C-N 3.29Å; F713-K715 PolarHBondContact O-N 2.82Å
716	S	69.4	Low	68.3	Low	27 Å²	27	50.8 Å²	50.8	19%	0.189	23%	0.228	C	C	.	.	S	Bend	trans	-70.4	142.8	-176.8	70.6	0	0	0	0	112.6	H712 F713 W718 C719	H712-S716 WeakPolarHBondContact O-CB 3.17Å; H712-S716 PolarHBondContact O-N 2.87Å; F713-S716 PolarHBondContact O-N 2.79Å; F713-S716 PolarHBondContact O-OG 2.94Å; S716-W718 PolarHBondContact O-N 2.97Å; S716-C719 WeakPolarHBondContact O-CB 3.21Å; S716-C719 PolarHBondContact O-N 2.06Å; S716-C719 WeakPolarHBondContact OG-CB 3.14Å; S716-C719 PolarHBondContact OG-N 2.91Å
717	E	58.3	Low	66.8	Low	172 Å²	172	51.9 Å²	51.9	80%	0.804	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.2	173	-65.7	-144.1	148.8	0	0	112.6	H720	E717-H720 WeakPolarHBondContact O-CB 3.3Å; E717-H720 PolarHBondContact O-N 3.23Å
718	W	55	Low	65.6	Low	139 Å²	139	58 Å²	58	53%	0.527	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-29.2	175.9	-74.7	102.1	0	0	0	113.7	I691 S716 H720 Y721 E722	I691-W718 HydrophobicContact CB-CH2 3.72Å; I691-W718 HydrophobicContact CB-CZ3 3.87Å; I691-W718 HydrophobicContact CD1-CH2 3.3Å; I691-W718 HydrophobicContact CD1-CZ2 3.7Å; I691-W718 HydrophobicContact CD1-CZ3 4.22Å; I691-W718 HydrophobicContact CG1-CH2 4.07Å; I691-W718 HydrophobicContact CG2-CE3 4.15Å; I691-W718 HydrophobicContact CG2-CH2 3.53Å; I691-W718 HydrophobicContact CG2-CZ3 3.24Å; S716-W718 PolarHBondContact O-N 2.97Å; W718-H720 PolarHBondContact O-N 3.36Å; W718-Y721 PolarHBondContact O-N 3.15Å; W718-E722 PolarHBondContact O-N 3.47Å
719	C	54.6	Low	64.1	Low	2 Å²	2	63.4 Å²	63.4	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-24.3	169.9	174.8	0	0	0	0	112.4	F713 S716 Y721	F713-C719 HydrophobicContact CE1-CB 4.39Å; F713-C719 HydrophobicContact CZ-CB 4.45Å; F713-C719 WeakPolarHBondContact O-CB 3.37Å; F713-C719 PolarHBondContact O-SG 3.12Å; S716-C719 WeakPolarHBondContact O-CB 3.21Å; S716-C719 PolarHBondContact O-N 2.06Å; S716-C719 WeakPolarHBondContact OG-CB 3.14Å; S716-C719 PolarHBondContact OG-N 2.91Å; C719-Y721 VanDerWaalsContact C-N 3.31Å; C719-Y721 PolarHBondContact O-N 2.78Å
720	H	55.8	Low	62.7	Low	84 Å²	84	66.6 Å²	66.6	39%	0.389	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-33.7	178	-162.3	-90.2	0	0	0	113.2	E717 W718 Y724	E717-H720 WeakPolarHBondContact O-CB 3.3Å; E717-H720 PolarHBondContact O-N 3.23Å; W718-H720 PolarHBondContact O-N 3.36Å; H720-Y724 WeakPolarHBondContact O-CB 3.48Å
721	Y	56.6	Low	61.1	Low	119 Å²	119	68.5 Å²	68.5	47%	0.467	31%	0.311	S	S	.	.	H	α-helix	trans	-98	-43	-174.3	-73.8	-87.1	0	0	0	112.3	W718 C719 Y724 F725	W718-Y721 PolarHBondContact O-N 3.15Å; C719-Y721 VanDerWaalsContact C-N 3.31Å; C719-Y721 PolarHBondContact O-N 2.78Å; Y721-Y724 PolarHBondContact O-N 2.91Å; Y721-F725 HydrophobicContact CD1-CD2 4.47Å; Y721-F725 HydrophobicContact CD1-CE2 4.01Å; Y721-F725 WeakPolarHBondContact O-CD2 3.49Å; Y721-F725 PolarHBondContact O-N 2.87Å
722	E	54.2	Low	59.5	Low	14 Å²	14	72.1 Å²	72.1	7%	0.065	34%	0.335	C	S	.	.	H	α-helix	trans	-69.5	-39.4	-175	-70.2	-174	160.1	0	0	113.4	S652 I695 F707 W718 A726	S652-E722 VanDerWaalsContact CB-OE2 3.28Å; S652-E722 WeakPolarHBondContact CB-OE2 3.28Å; S652-E722 PolarHBondContact OG-OE2 3.2Å; I695-E722 HydrophobicContact CD1-CG 3.62Å; I695-E722 WeakPolarHBondContact CD1-OE1 3.4Å; I695-E722 HydrophobicContact CG1-CG 4.22Å; I695-E722 HydrophobicContact CG2-CG 4.14Å; F707-E722 HydrophobicContact CE1-CB 4.32Å; W718-E722 PolarHBondContact O-N 3.47Å; E722-A726 WeakPolarHBondContact O-CB 3.33Å; E722-A726 PolarHBondContact O-N 3.27Å
723	L	55.3	Low	58	Low	24 Å²	24	75.9 Å²	75.9	13%	0.126	35%	0.353	C	S	.	.	H	α-helix	trans	-73.3	-35.8	175.2	-102.9	160.6	0	0	0	112.1	F707 F713 S727 L758	F707-L723 HydrophobicContact CD1-CD2 4.26Å; F707-L723 HydrophobicContact CD1-CG 3.87Å; F707-L723 HydrophobicContact CE1-CB 4.4Å; F707-L723 HydrophobicContact CE1-CD2 4.23Å; F707-L723 HydrophobicContact CE1-CG 3.74Å; F707-L723 HydrophobicContact CZ-CG 4.49Å; F713-L723 HydrophobicContact CE1-CD1 3.74Å; F713-L723 HydrophobicContact CE1-CG 4.5Å; F713-L723 HydrophobicContact CZ-CD1 4.42Å; L723-S727 WeakPolarHBondContact O-CB 3.34Å; L723-S727 PolarHBondContact O-N 2.85Å; L723-S727 PolarHBondContact O-OG 3.2Å; L723-L758 HydrophobicContact CD1-CD2 4.14Å
724	Y	57.1	Low	56.9	Low	130 Å²	130	77.4 Å²	77.4	51%	0.51	37%	0.369	S	S	.	.	H	α-helix	trans	-67	-44.7	-180	-175.2	-95.3	0	0	0	111.5	H720 Y721 S727 H728	H720-Y724 WeakPolarHBondContact O-CB 3.48Å; Y721-Y724 PolarHBondContact O-N 2.91Å; Y724-S727 PolarHBondContact O-N 3.42Å; Y724-S727 PolarHBondContact O-OG 2.75Å; Y724-H728 PolarHBondContact O-N 3.14Å
725	F	55	Low	55.9	Low	58 Å²	58	80.1 Å²	80.1	25%	0.254	39%	0.389	S	S	.	.	H	α-helix	trans	-81.3	-37.6	-177.5	-78.6	-76.8	0	0	0	114	M692 Y721 S727 H728 Q729	M692-F725 HydrophobicContact CE-CE1 4.19Å; M692-F725 HydrophobicContact CE-CE2 4.12Å; M692-F725 HydrophobicContact CE-CZ 3.71Å; M692-F725 HydrophobicContact SD-CE2 4.19Å; M692-F725 HydrophobicContact SD-CZ 4.35Å; Y721-F725 HydrophobicContact CD1-CD2 4.47Å; Y721-F725 HydrophobicContact CD1-CE2 4.01Å; Y721-F725 WeakPolarHBondContact O-CD2 3.49Å; Y721-F725 PolarHBondContact O-N 2.87Å; F725-S727 PolarHBondContact O-N 3.04Å; F725-H728 PolarHBondContact O-N 2.9Å; F725-H728 VanDerWaalsContact O-N 3.17Å; F725-Q729 PolarHBondContact O-N 3.22Å
726	A	54.3	Low	55.2	Low	7 Å²	7	75.2 Å²	75.2	6%	0.058	37%	0.371	C	S	.	.	H	α-helix	trans	-60.4	-26.5	170.2	0	0	0	0	0	111.9	F707 E722	F707-A726 HydrophobicContact CE2-CB 3.83Å; F707-A726 HydrophobicContact CZ-CB 3.46Å; F707-A726 VanDerWaalsContact CZ-CB 3.46Å; E722-A726 WeakPolarHBondContact O-CB 3.33Å; E722-A726 PolarHBondContact O-N 3.27Å
727	S	54.3	Low	55	Low	22 Å²	22	75.1 Å²	75.1	15%	0.154	37%	0.37	C	S	.	.	H	α-helix	trans	-79.1	-26	176.7	79.2	0	0	0	0	115.6	L723 Y724 F725 L731	L723-S727 WeakPolarHBondContact O-CB 3.34Å; L723-S727 PolarHBondContact O-N 2.85Å; L723-S727 PolarHBondContact O-OG 3.2Å; Y724-S727 PolarHBondContact O-N 3.42Å; Y724-S727 PolarHBondContact O-OG 2.75Å; F725-S727 PolarHBondContact O-N 3.04Å; S727-L731 WeakPolarHBondContact O-CB 3.41Å
728	H	55.7	Low	55.8	Low	130 Å²	130	68.2 Å²	68.2	60%	0.602	34%	0.338	S	S	*	.	H	α-helix	trans	-95.6	-32.5	-171.7	-118.8	73	0	0	0	114.1	Y724 F725	Y724-H728 PolarHBondContact O-N 3.14Å; F725-H728 PolarHBondContact O-N 2.9Å; F725-H728 VanDerWaalsContact O-N 3.17Å
729	Q	54.3	Low	56.9	Low	113 Å²	113	62.2 Å²	62.2	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-99.4	-25.8	-169.4	-146.9	165.1	-23.9	0	0	114.7	E700 F725	E700-Q729 PolarHBondContact OE1-NE2 3.34Å; F725-Q729 PolarHBondContact O-N 3.22Å
730	R	53.4	Low	58.2	Low	67 Å²	67	62.3 Å²	62.3	25%	0.253	32%	0.317	S	S	.	.	S	Bend	trans	-121.1	-9.2	179.5	-117	177.4	-176.8	162.2	-1.2	115.8	V699 E700 S702 S732 Q733	V699-R730 PolarHBondContact O-NH1 3.48Å; E700-R730 PolarHBondContact O-NH1 3.15Å; E700-R730 PolarHBondContact O-NH2 2.8Å; S702-R730 PolarHBondContact O-NH1 2.72Å; R730-S732 VanDerWaalsContact C-N 3.34Å; R730-Q733 PolarHBondContact O-N 3.49Å
731	L	50.9	Low	59.6	Low	43 Å²	43	58.3 Å²	58.3	23%	0.225	30%	0.299	C	S	.	.	S	Bend	trans	-82.1	-14.8	174.1	-113.5	134.7	0	0	0	112.4	S727 Q733 G734 M761	S727-L731 WeakPolarHBondContact O-CB 3.41Å; L731-Q733 VanDerWaalsContact C-N 3.26Å; L731-Q733 PolarHBondContact O-N 3.36Å; L731-G734 PolarHBondContact O-N 3.48Å; L731-M761 HydrophobicContact CD2-CE 4.24Å
732	S	48.9	Very low	61	Low	98 Å²	98	52.8 Å²	52.8	69%	0.685	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.2	167.7	60.5	0	0	0	0	113	R730	R730-S732 VanDerWaalsContact C-N 3.34Å
733	Q	50.6	Low	62.4	Low	170 Å²	170	53 Å²	53	79%	0.794	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	1.3	174.5	-73.5	-176.3	-16.7	0	0	113.9	R730 L731	R730-Q733 PolarHBondContact O-N 3.49Å; L731-Q733 VanDerWaalsContact C-N 3.26Å; L731-Q733 PolarHBondContact O-N 3.36Å
734	G	54.9	Low	63.6	Low	33 Å²	33	55.4 Å²	55.4	34%	0.34	29%	0.29	S	S	.	.			trans	135.5	150.4	170.6	0	0	0	0	0	114.8	L731 D736 S737	L731-G734 PolarHBondContact O-N 3.48Å; G734-D736 PolarHBondContact O-N 2.62Å; G734-S737 PolarHBondContact O-OG 3.48Å
735	S	54.3	Low	64.6	Low	70 Å²	70	53.6 Å²	53.6	49%	0.49	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	5	-174.3	48	0	0	0	0	115.8
736	D	56.2	Low	65.5	Low	58 Å²	58	51.7 Å²	51.7	31%	0.31	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	0.1	-173.8	-72.8	-44.5	0	0	0	114.5	R635 G734	R635-D736 IonicContact CZ-OD2 2.72Å; R635-D736 IonicContact NH1-OD2 2.62Å; R635-D736 PolarHBondContact NH1-OD2 2.95Å; R635-D736 IonicContact NH2-OD2 3.67Å; R635-D736 PolarHBondContact NH2-OD2 3.3Å; G734-D736 PolarHBondContact O-N 2.62Å
737	S	66	Low	66.4	Low	25 Å²	25	53.7 Å²	53.7	18%	0.175	30%	0.298	C	S	.	.	S	Bend	trans	-83.3	-12.3	175.9	54.4	0	0	0	0	113.2	R704 S705 G734	R704-S737 CarbonylContact C-O 3.57Å; R704-S737 VanDerWaalsContact CA-O 3.28Å; R704-S737 WeakPolarHBondContact CA-O 3.47Å; R704-S737 WeakPolarHBondContact CB-O 3.42Å; S705-S737 PolarHBondContact N-O 2.93Å; G734-S737 PolarHBondContact O-OG 3.48Å
738	L	74.7	Confident	67.1	Low	27 Å²	27	57.5 Å²	57.5	14%	0.141	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.3	-176.5	-160.3	80.3	0	0	0	111.5	F707 L740 M761	F707-L738 HydrophobicContact CD2-CD1 3.28Å; F707-L738 HydrophobicContact CD2-CG 4.11Å; F707-L738 HydrophobicContact CE2-CD1 3.2Å; F707-L738 HydrophobicContact CE2-CG 4.44Å; F707-L738 HydrophobicContact CG-CD1 4.47Å; F707-L738 HydrophobicContact CZ-CD1 4.34Å; L738-L740 HydrophobicContact CD2-CD2 3.72Å; L738-L740 HydrophobicContact CD2-CG 4.15Å; L738-L740 HydrophobicContact CG-CD2 4.12Å; L738-M761 HydrophobicContact CD2-CE 3.96Å; L738-M761 HydrophobicContact CD2-SD 3.46Å; L738-M761 WeakPolarHBondContact CD2-SD 3.35Å
739	V	78.6	Confident	67.9	Low	13 Å²	13	60.1 Å²	60.1	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.2	170.9	179.9	0	0	0	0	108.6	S705 V706 F707 V741 L768 L784 L788	S705-V739 PolarHBondContact O-N 3.24Å; V706-V739 CarbonylContact C-O 3.59Å; V706-V739 VanDerWaalsContact CA-O 3.3Å; V706-V739 WeakPolarHBondContact CA-O 3.49Å; V706-V739 HydrophobicContact CG2-CB 4.17Å; F707-V739 PolarHBondContact N-O 3.33Å; V739-V741 HydrophobicContact CG1-CG2 4.43Å; V739-L768 HydrophobicContact CG1-CD1 4.35Å; V739-L784 HydrophobicContact CG1-CD1 4.05Å; V739-L788 HydrophobicContact CG2-CD2 4.03Å
740	L	80.8	Confident	68.7	Low	4 Å²	4	57.7 Å²	57.7	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.5	177.6	-60	-178.8	0	0	0	109.5	F707 L709 L738 L758 M761 Y767 L768	F707-L740 HydrophobicContact CB-CD2 3.82Å; F707-L740 HydrophobicContact CG-CD2 4.47Å; L709-L740 HydrophobicContact CD1-CB 4.28Å; L709-L740 HydrophobicContact CD1-CD1 4.4Å; L709-L740 HydrophobicContact CD1-CD2 4.23Å; L738-L740 HydrophobicContact CD2-CD2 3.72Å; L738-L740 HydrophobicContact CD2-CG 4.15Å; L738-L740 HydrophobicContact CG-CD2 4.12Å; L740-L758 HydrophobicContact CD1-CD1 4.04Å; L740-L758 HydrophobicContact CD2-CD1 4.23Å; L740-M761 HydrophobicContact CD1-CB 3.9Å; L740-M761 HydrophobicContact CD1-SD 4.43Å; L740-Y767 CarbonylContact O-C 3.18Å; L740-Y767 VanDerWaalsContact O-CA 3.31Å; L740-Y767 WeakPolarHBondContact O-CA 3.29Å; L740-L768 PolarHBondContact O-N 3.47Å
741	V	85.8	Confident	69.6	Low	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.4	173.9	176.8	0	0	0	0	108.3	V706 F707 L708 L709 V739 L768 F780 L784	V706-V741 HydrophobicContact CG1-CG2 3.93Å; F707-V741 PolarHBondContact O-N 2.81Å; L708-V741 HydrophobicContact CD2-CB 3.75Å; L708-V741 HydrophobicContact CD2-CG1 3.59Å; L709-V741 PolarHBondContact N-O 2.83Å; V739-V741 HydrophobicContact CG1-CG2 4.43Å; V741-L768 CarbonylContact C-O 3.34Å; V741-L768 WeakPolarHBondContact CA-O 2.97Å; V741-L768 HydrophobicContact CG2-CB 4.48Å; V741-F780 HydrophobicContact CG1-CE2 4.18Å; V741-F780 HydrophobicContact CG1-CZ 3.71Å; V741-L784 HydrophobicContact CG2-CD1 3.85Å
742	L	86.1	Confident	70.4	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.6	-178.2	-173.5	67.9	0	0	0	109	L709 E744 L746 Y767 L768 E769 W770	L709-L742 HydrophobicContact CB-CD1 4.02Å; L742-E744 WeakPolarHBondContact CD1-O 3.47Å; L742-E744 WeakPolarHBondContact CG-O 3.34Å; L742-L746 HydrophobicContact CD1-CB 4.04Å; L742-L746 HydrophobicContact CD1-CD1 3.51Å; L742-L746 HydrophobicContact CD1-CG 3.75Å; L742-Y767 HydrophobicContact CB-CD2 3.87Å; L742-Y767 HydrophobicContact CB-CE2 4.38Å; L742-Y767 HydrophobicContact CD2-CD2 3.93Å; L742-Y767 HydrophobicContact CD2-CE2 3.6Å; L742-L768 PolarHBondContact N-O 3.06Å; L742-E769 HydrophobicContact CD2-CG 4.41Å; L742-W770 WeakPolarHBondContact O-CB 3.38Å; L742-W770 PolarHBondContact O-N 3.32Å
743	L	84.1	Confident	71.3	Confident	19 Å²	19	55.6 Å²	55.6	10%	0.099	31%	0.308	C	S	.	.	S	Bend	trans	-75.5	-32.7	-178.4	-71	-179	0	0	0	112.7	D657 W660 L708 L709 W770	D657-L743 HydrophobicContact CB-CD1 4.35Å; W660-L743 HydrophobicContact CD2-CD1 4.46Å; W660-L743 HydrophobicContact CD2-CD2 3.78Å; W660-L743 HydrophobicContact CE3-CD1 4.26Å; W660-L743 HydrophobicContact CE3-CD2 3.71Å; W660-L743 HydrophobicContact CH2-CD2 3.42Å; W660-L743 VanDerWaalsContact CH2-CD2 3.42Å; W660-L743 HydrophobicContact CZ2-CD2 3.47Å; W660-L743 VanDerWaalsContact CZ2-CD2 3.47Å; W660-L743 HydrophobicContact CZ3-CD2 3.54Å; L708-L743 HydrophobicContact CD2-CD1 4.48Å; L708-L743 HydrophobicContact CD2-CD2 4.04Å; L708-L743 HydrophobicContact CD2-CG 4.22Å; L709-L743 PolarHBondContact O-N 3.36Å; L743-W770 HydrophobicContact CD2-CB 4.47Å
744	E	79.9	Confident	71.9	Confident	74 Å²	74	53.5 Å²	53.5	35%	0.346	30%	0.296	S	S	.	.	S	Bend	trans	-144.3	147.9	-179.4	61.7	-173.1	170.6	0	0	109.5	A711 L742 L746	A711-E744 WeakPolarHBondContact CB-OE1 3.22Å; A711-E744 PolarHBondContact N-OE1 2.56Å; L742-E744 WeakPolarHBondContact CD1-O 3.47Å; L742-E744 WeakPolarHBondContact CG-O 3.34Å; E744-L746 HydrophobicContact CG-CD2 4.36Å; E744-L746 PolarHBondContact O-N 3.06Å
745	P	78.4	Confident	72.6	Confident	91 Å²	91	54 Å²	54	59%	0.591	29%	0.288	S	S	*	.			trans	-59.5	116.8	177.8	22.2	-31.3	0	0	0	110.3	P747	P745-P747 WeakPolarHBondContact O-CD 3.5Å
746	L	74.4	Confident	73.2	Confident	18 Å²	18	58.1 Å²	58.1	9%	0.094	29%	0.294	C	S	.	.			trans	-100.7	112.4	-178.7	-74.1	172.4	0	0	0	111.3	L709 A711 I714 L742 E744 Q748 M762	L709-L746 HydrophobicContact CB-CD1 4Å; A711-L746 HydrophobicContact CB-CD2 4.03Å; I714-L746 HydrophobicContact CD1-CD1 3.45Å; I714-L746 VanDerWaalsContact CD1-CD1 3.45Å; I714-L746 HydrophobicContact CD1-CD2 4.3Å; I714-L746 HydrophobicContact CD1-CG 4.39Å; I714-L746 HydrophobicContact CG1-CD1 4.46Å; L742-L746 HydrophobicContact CD1-CB 4.04Å; L742-L746 HydrophobicContact CD1-CD1 3.51Å; L742-L746 HydrophobicContact CD1-CG 3.75Å; E744-L746 HydrophobicContact CG-CD2 4.36Å; E744-L746 PolarHBondContact O-N 3.06Å; L746-Q748 PolarHBondContact O-N 3Å; L746-M762 HydrophobicContact CB-CE 4.28Å
747	P	72.9	Confident	73.7	Confident	50 Å²	50	58.7 Å²	58.7	33%	0.325	29%	0.294	S	S	.	.			trans	-57.7	136.4	172.1	-22.6	27.9	0	0	0	112.5	P745 Y749 L750	P745-P747 WeakPolarHBondContact O-CD 3.5Å; P747-Y749 HydrophobicContact CB-CD1 3.42Å; P747-Y749 VanDerWaalsContact CB-CD1 3.42Å; P747-Y749 HydrophobicContact CB-CE1 3.06Å; P747-Y749 HydrophobicContact CB-CE2 4.35Å; P747-Y749 HydrophobicContact CB-CG 4.21Å; P747-Y749 HydrophobicContact CG-CE1 3.73Å; P747-Y749 PolarHBondContact O-N 3.2Å; P747-L750 HydrophobicContact CG-CD1 4.23Å; P747-L750 PolarHBondContact O-N 2.5Å
748	Q	68.2	Low	73.9	Confident	102 Å²	102	58 Å²	58	48%	0.477	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-60.7	-18.1	-176.3	-68	-172.6	7.9	0	0	114.6	L746	L746-Q748 PolarHBondContact O-N 3Å
749	Y	73.4	Confident	73.7	Confident	185 Å²	185	60 Å²	60	73%	0.725	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-76.2	-22.5	177.4	66.8	-103.1	0	0	0	113.1	P747 I751	P747-Y749 HydrophobicContact CB-CD1 3.42Å; P747-Y749 VanDerWaalsContact CB-CD1 3.42Å; P747-Y749 HydrophobicContact CB-CE1 3.06Å; P747-Y749 HydrophobicContact CB-CE2 4.35Å; P747-Y749 HydrophobicContact CB-CG 4.21Å; P747-Y749 HydrophobicContact CG-CE1 3.73Å; P747-Y749 PolarHBondContact O-N 3.2Å; Y749-I751 PolarHBondContact O-N 2.99Å
750	L	70.1	Confident	73.3	Confident	62 Å²	62	61.6 Å²	61.6	33%	0.325	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-76.3	-11.5	178.5	-71.8	176.4	0	0	0	113	I714 P747 P752	I714-L750 WeakPolarHBondContact CG2-O 3.33Å; P747-L750 HydrophobicContact CG-CD1 4.23Å; P747-L750 PolarHBondContact O-N 2.5Å; L750-P752 VanDerWaalsContact O-CD 3.25Å; L750-P752 WeakPolarHBondContact O-CD 3.4Å
751	I	72	Confident	72.8	Confident	4 Å²	4	63 Å²	63	2%	0.021	32%	0.315	C	S	.	.	S	Bend	trans	-93.7	111.2	-179.8	-57.5	159.9	0	0	0	108.2	I714 Y749 S753 Y755 L758 M762	I714-I751 HydrophobicContact CD1-CG1 3.87Å; Y749-I751 PolarHBondContact O-N 2.99Å; I751-S753 PolarHBondContact O-N 3.34Å; I751-Y755 HydrophobicContact CG2-CD2 4.32Å; I751-L758 HydrophobicContact CG2-CD2 4.42Å; I751-M762 HydrophobicContact CD1-CE 3.71Å; I751-M762 HydrophobicContact CD1-SD 3.29Å; I751-M762 WeakPolarHBondContact CD1-SD 3.16Å; I751-M762 HydrophobicContact CG1-SD 4.43Å
752	P	68.6	Low	72.1	Confident	53 Å²	53	63.7 Å²	63.7	34%	0.344	32%	0.318	S	S	.	.			trans	-51.4	140.3	177	-31.2	36.4	0	0	0	112.7	L750 K754 Y755	L750-P752 VanDerWaalsContact O-CD 3.25Å; L750-P752 WeakPolarHBondContact O-CD 3.4Å; P752-K754 HydrophobicContact CB-CG 3.86Å; P752-K754 PolarHBondContact O-N 3.03Å; P752-K754 VanDerWaalsContact O-N 3.07Å; P752-Y755 HydrophobicContact CB-CD2 3.71Å; P752-Y755 HydrophobicContact CB-CE2 3.74Å; P752-Y755 HydrophobicContact CG-CD2 3.9Å; P752-Y755 HydrophobicContact CG-CE2 3.61Å; P752-Y755 PolarHBondContact O-N 3.36Å
753	S	67.1	Low	71.3	Confident	107 Å²	107	69.4 Å²	69.4	75%	0.748	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.3	-178.3	49.6	0	0	0	0	113.7	I751 Y755	I751-S753 PolarHBondContact O-N 3.34Å; S753-Y755 PolarHBondContact O-N 3.49Å
754	K	63.7	Low	70.5	Confident	126 Å²	126	77.1 Å²	77.1	55%	0.548	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.3	173.4	61.8	177.9	-177.2	173.8	0	114	P752 Y756	P752-K754 HydrophobicContact CB-CG 3.86Å; P752-K754 PolarHBondContact O-N 3.03Å; P752-K754 VanDerWaalsContact O-N 3.07Å; K754-Y756 PolarHBondContact O-N 2.98Å
755	Y	68.6	Low	69.9	Low	42 Å²	42	79.3 Å²	79.3	17%	0.165	38%	0.381	C	S	.	.			trans	-94.5	54.8	179.5	-53.6	-56.6	0	0	0	112.7	I751 P752 S753 Q757 L758 K759	I751-Y755 HydrophobicContact CG2-CD2 4.32Å; P752-Y755 HydrophobicContact CB-CD2 3.71Å; P752-Y755 HydrophobicContact CB-CE2 3.74Å; P752-Y755 HydrophobicContact CG-CD2 3.9Å; P752-Y755 HydrophobicContact CG-CE2 3.61Å; P752-Y755 PolarHBondContact O-N 3.36Å; S753-Y755 PolarHBondContact O-N 3.49Å; Y755-Q757 VanDerWaalsContact C-N 3.34Å; Y755-Q757 PolarHBondContact O-N 3.09Å; Y755-L758 PolarHBondContact O-N 3.31Å; Y755-K759 WeakPolarHBondContact O-CB 3.39Å; Y755-K759 PolarHBondContact O-N 2.86Å
756	Y	68.3	Low	69.3	Low	158 Å²	158	78.3 Å²	78.3	62%	0.62	37%	0.373	S	S	*	.	H	α-helix	trans	-62.3	-35.6	-174	75	-87	0	0	0	113.7	K754 K759 S760	K754-Y756 PolarHBondContact O-N 2.98Å; Y756-K759 PolarHBondContact O-N 3.23Å; Y756-S760 WeakPolarHBondContact O-CB 3.34Å; Y756-S760 PolarHBondContact O-N 3.44Å
757	Q	66	Low	69.5	Low	69 Å²	69	79.8 Å²	79.8	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-67.2	-45.5	179.2	-65.3	-171.8	-10.3	0	0	111.7	Y755 K759 S760 M761	Y755-Q757 VanDerWaalsContact C-N 3.34Å; Y755-Q757 PolarHBondContact O-N 3.09Å; Q757-K759 VanDerWaalsContact C-N 3.35Å; Q757-K759 PolarHBondContact O-N 2.97Å; Q757-S760 WeakPolarHBondContact O-CB 3.48Å; Q757-S760 PolarHBondContact O-N 2.98Å; Q757-M761 WeakPolarHBondContact O-CG 3.38Å; Q757-M761 PolarHBondContact O-N 2.92Å
758	L	70.2	Confident	69.9	Low	11 Å²	11	78.6 Å²	78.6	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-61.4	-44.9	174.9	-175.8	65	0	0	0	110.7	L709 L723 L740 I751 Y755 S760 M761 M762	L709-L758 HydrophobicContact CD1-CD1 3.95Å; L709-L758 HydrophobicContact CD2-CD1 4.29Å; L709-L758 HydrophobicContact CD2-CD2 4.45Å; L723-L758 HydrophobicContact CD1-CD2 4.14Å; L740-L758 HydrophobicContact CD1-CD1 4.04Å; L740-L758 HydrophobicContact CD2-CD1 4.23Å; I751-L758 HydrophobicContact CG2-CD2 4.42Å; Y755-L758 PolarHBondContact O-N 3.31Å; L758-S760 VanDerWaalsContact C-N 3.29Å; L758-S760 PolarHBondContact O-N 3.18Å; L758-M761 PolarHBondContact O-N 3.36Å; L758-M762 HydrophobicContact CD1-SD 4.48Å; L758-M762 HydrophobicContact CG-SD 4.17Å; L758-M762 WeakPolarHBondContact O-CB 3.49Å; L758-M762 WeakPolarHBondContact O-CG 3.31Å; L758-M762 PolarHBondContact O-N 3.2Å
759	K	70.9	Confident	70.7	Confident	68 Å²	68	78.5 Å²	78.5	30%	0.296	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-36.8	176.1	-164.2	169.5	-172.7	166.4	0	112.3	Y755 Y756 Q757 K763	Y755-K759 WeakPolarHBondContact O-CB 3.39Å; Y755-K759 PolarHBondContact O-N 2.86Å; Y756-K759 PolarHBondContact O-N 3.23Å; Q757-K759 VanDerWaalsContact C-N 3.35Å; Q757-K759 PolarHBondContact O-N 2.97Å; K759-K763 WeakPolarHBondContact O-CB 3.12Å; K759-K763 WeakPolarHBondContact O-CG 3.47Å; K759-K763 PolarHBondContact O-N 2.94Å
760	S	70	Confident	71.2	Confident	48 Å²	48	70.9 Å²	70.9	34%	0.336	34%	0.338	S	S	.	.	H	α-helix	trans	-67.2	-44.7	174.7	-175.6	0	0	0	0	112.2	Y756 Q757 L758 K763 R764	Y756-S760 WeakPolarHBondContact O-CB 3.34Å; Y756-S760 PolarHBondContact O-N 3.44Å; Q757-S760 WeakPolarHBondContact O-CB 3.48Å; Q757-S760 PolarHBondContact O-N 2.98Å; L758-S760 VanDerWaalsContact C-N 3.29Å; L758-S760 PolarHBondContact O-N 3.18Å; S760-K763 PolarHBondContact O-N 3.46Å; S760-R764 WeakPolarHBondContact O-CG 3.17Å; S760-R764 PolarHBondContact O-N 3.4Å; S760-R764 VanDerWaalsContact O-N 3.14Å
761	M	69.6	Low	71.9	Confident	32 Å²	32	68.7 Å²	68.7	16%	0.158	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-39.3	177	-73.3	-177.5	147	0	0	112.4	L731 L738 L740 Q757 L758 R764 H765 T766	L731-M761 HydrophobicContact CD2-CE 4.24Å; L738-M761 HydrophobicContact CD2-CE 3.96Å; L738-M761 HydrophobicContact CD2-SD 3.46Å; L738-M761 WeakPolarHBondContact CD2-SD 3.35Å; L740-M761 HydrophobicContact CD1-CB 3.9Å; L740-M761 HydrophobicContact CD1-SD 4.43Å; Q757-M761 WeakPolarHBondContact O-CG 3.38Å; Q757-M761 PolarHBondContact O-N 2.92Å; L758-M761 PolarHBondContact O-N 3.36Å; M761-R764 PolarHBondContact O-N 3.49Å; M761-H765 PolarHBondContact O-N 2.96Å; M761-T766 PolarHBondContact O-OG1 3.2Å
762	M	71.4	Confident	72.2	Confident	15 Å²	15	75.5 Å²	75.5	7%	0.074	36%	0.359	C	S	.	.	H	α-helix	trans	-66	-38	174.2	-70.3	-177.2	70.5	0	0	112.2	L709 L746 I751 L758 R764 H765	L709-M762 HydrophobicContact CD1-SD 4.32Å; L746-M762 HydrophobicContact CB-CE 4.28Å; I751-M762 HydrophobicContact CD1-CE 3.71Å; I751-M762 HydrophobicContact CD1-SD 3.29Å; I751-M762 WeakPolarHBondContact CD1-SD 3.16Å; I751-M762 HydrophobicContact CG1-SD 4.43Å; L758-M762 HydrophobicContact CD1-SD 4.48Å; L758-M762 HydrophobicContact CG-SD 4.17Å; L758-M762 WeakPolarHBondContact O-CB 3.49Å; L758-M762 WeakPolarHBondContact O-CG 3.31Å; L758-M762 PolarHBondContact O-N 3.2Å; M762-R764 VanDerWaalsContact C-N 3.27Å; M762-R764 PolarHBondContact O-N 2.72Å; M762-H765 PolarHBondContact O-N 3.41Å; M762-H765 VanDerWaalsContact O-N 3.15Å
763	K	69.6	Low	72.6	Confident	124 Å²	124	76.5 Å²	76.5	54%	0.539	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-32.8	172.2	-80.8	-177.4	179.7	-171.2	0	112.9	K759 S760 H765	K759-K763 WeakPolarHBondContact O-CB 3.12Å; K759-K763 WeakPolarHBondContact O-CG 3.47Å; K759-K763 PolarHBondContact O-N 2.94Å; S760-K763 PolarHBondContact O-N 3.46Å; K763-H765 PolarHBondContact O-N 3.17Å; K763-H765 PolarHBondContact O-ND1 3.17Å
764	R	67.2	Low	73.1	Confident	180 Å²	180	79.7 Å²	79.7	68%	0.679	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.5	178	-68.8	176.2	-177.7	-169	-0.1	113.7	S760 M761 M762 T766	S760-R764 WeakPolarHBondContact O-CG 3.17Å; S760-R764 PolarHBondContact O-N 3.4Å; S760-R764 VanDerWaalsContact O-N 3.14Å; M761-R764 PolarHBondContact O-N 3.49Å; M762-R764 VanDerWaalsContact C-N 3.27Å; M762-R764 PolarHBondContact O-N 2.72Å; R764-T766 HydrophobicContact CB-CG2 4.05Å; R764-T766 PolarHBondContact O-N 3.42Å
765	H	67.2	Low	73.6	Confident	121 Å²	121	77.1 Å²	77.1	56%	0.56	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	38.8	179.8	-63.4	76.1	0	0	0	113	M761 M762 K763 Y767	M761-H765 PolarHBondContact O-N 2.96Å; M762-H765 PolarHBondContact O-N 3.41Å; M762-H765 VanDerWaalsContact O-N 3.15Å; K763-H765 PolarHBondContact O-N 3.17Å; K763-H765 PolarHBondContact O-ND1 3.17Å; H765-Y767 VanDerWaalsContact C-N 3.33Å
766	T	66.7	Low	74.1	Confident	69 Å²	69	76.4 Å²	76.4	42%	0.423	36%	0.362	S	S	.	.			trans	-96	26.2	-179.9	54.1	0	0	0	0	113	M761 R764	M761-T766 PolarHBondContact O-OG1 3.2Å; R764-T766 HydrophobicContact CB-CG2 4.05Å; R764-T766 PolarHBondContact O-N 3.42Å
767	Y	77.6	Confident	74.8	Confident	49 Å²	49	70.7 Å²	70.7	19%	0.192	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	157.7	177.7	58.4	-94.1	0	0	0	111.4	L740 L742 H765 E769	L740-Y767 CarbonylContact O-C 3.18Å; L740-Y767 VanDerWaalsContact O-CA 3.31Å; L740-Y767 WeakPolarHBondContact O-CA 3.29Å; L742-Y767 HydrophobicContact CB-CD2 3.87Å; L742-Y767 HydrophobicContact CB-CE2 4.38Å; L742-Y767 HydrophobicContact CD2-CD2 3.93Å; L742-Y767 HydrophobicContact CD2-CE2 3.6Å; H765-Y767 VanDerWaalsContact C-N 3.33Å; Y767-E769 HydrophobicContact CD2-CB 4.34Å; Y767-E769 HydrophobicContact CE2-CB 4.17Å
768	L	81.6	Confident	75.4	Confident	25 Å²	25	77.9 Å²	77.9	13%	0.131	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.8	169.9	-67.9	170.5	0	0	0	108.8	V739 L740 V741 L742 F780 N783 L784	V739-L768 HydrophobicContact CG1-CD1 4.35Å; L740-L768 PolarHBondContact O-N 3.47Å; V741-L768 CarbonylContact C-O 3.34Å; V741-L768 WeakPolarHBondContact CA-O 2.97Å; V741-L768 HydrophobicContact CG2-CB 4.48Å; L742-L768 PolarHBondContact N-O 3.06Å; L768-F780 HydrophobicContact CB-CD2 4.48Å; L768-F780 HydrophobicContact CB-CE2 3.93Å; L768-N783 HydrophobicContact CD2-CB 4.07Å; L768-L784 HydrophobicContact CD1-CB 4.08Å; L768-L784 HydrophobicContact CD1-CD1 3.77Å
769	E	84.4	Confident	75.9	Confident	100 Å²	100	79.4 Å²	79.4	47%	0.467	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.1	178.9	-170.4	176.8	-176.3	0	0	111.2	L742 Y767 P771 F780	L742-E769 HydrophobicContact CD2-CG 4.41Å; Y767-E769 HydrophobicContact CD2-CB 4.34Å; Y767-E769 HydrophobicContact CE2-CB 4.17Å; E769-P771 WeakPolarHBondContact O-CD 3.46Å; E769-F780 VanDerWaalsContact O-CD2 3.26Å; E769-F780 WeakPolarHBondContact O-CD2 3.44Å
770	W	84.9	Confident	76.5	Confident	26 Å²	26	76.2 Å²	76.2	10%	0.098	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-69.5	117	175	178.8	-111.6	0	0	0	110.5	W660 L742 L743 H777 F780 W781	W660-W770 HydrophobicContact CH2-CE3 4.42Å; W660-W770 AromaticContact CZ2-CD2 3.79Å; W660-W770 HydrophobicContact CZ2-CD2 3.79Å; W660-W770 AromaticContact CZ2-CE3 3.74Å; W660-W770 HydrophobicContact CZ2-CE3 3.74Å; W660-W770 HydrophobicContact CZ2-CG 4.38Å; W660-W770 HydrophobicContact CZ2-CH2 4.18Å; W660-W770 HydrophobicContact CZ2-CZ2 4.22Å; W660-W770 AromaticContact CZ2-CZ3 3.95Å; W660-W770 HydrophobicContact CZ2-CZ3 3.95Å; L742-W770 WeakPolarHBondContact O-CB 3.38Å; L742-W770 PolarHBondContact O-N 3.32Å; L743-W770 HydrophobicContact CD2-CB 4.47Å; W770-H777 AromaticContact CE2-NE2 3.92Å; W770-H777 AromaticContact CZ2-CE1 3.59Å; W770-H777 AromaticContact CZ2-NE2 3.6Å; W770-F780 AromaticContact CE3-CD1 3.55Å; W770-F780 HydrophobicContact CE3-CD1 3.55Å; W770-F780 HydrophobicContact CE3-CD2 4.36Å; W770-F780 AromaticContact CE3-CE1 3.44Å; W770-F780 HydrophobicContact CE3-CE1 3.44Å; W770-F780 VanDerWaalsContact CE3-CE1 3.44Å; W770-F780 HydrophobicContact CE3-CE2 4.25Å; W770-F780 HydrophobicContact CE3-CG 4.03Å; W770-F780 AromaticContact CE3-CZ 3.81Å; W770-F780 HydrophobicContact CE3-CZ 3.81Å; W770-F780 AromaticContact CZ3-CD1 3.5Å; W770-F780 HydrophobicContact CZ3-CD1 3.5Å; W770-F780 VanDerWaalsContact CZ3-CD1 3.5Å; W770-F780 AromaticContact CZ3-CE1 3.61Å; W770-F780 HydrophobicContact CZ3-CE1 3.61Å; W770-F780 HydrophobicContact CZ3-CG 4.27Å; W770-F780 HydrophobicContact CZ3-CZ 4.42Å; W770-W781 HydrophobicContact CE3-CZ2 4.44Å; W770-W781 AromaticContact CH2-CE2 3.89Å; W770-W781 HydrophobicContact CH2-CH2 4.41Å; W770-W781 AromaticContact CH2-CZ2 3.48Å; W770-W781 HydrophobicContact CH2-CZ2 3.48Å; W770-W781 VanDerWaalsContact CH2-CZ2 3.48Å; W770-W781 AromaticContact CH2-NE1 3.93Å; W770-W781 HydrophobicContact CZ3-CD2 4.49Å; W770-W781 AromaticContact CZ3-CE2 3.6Å; W770-W781 AromaticContact CZ3-CH2 3.93Å; W770-W781 HydrophobicContact CZ3-CH2 3.93Å; W770-W781 AromaticContact CZ3-CZ2 3.28Å; W770-W781 HydrophobicContact CZ3-CZ2 3.28Å; W770-W781 AromaticContact CZ3-NE1 3.9Å
771	P	84.1	Confident	77.3	Confident	16 Å²	16	75 Å²	75	10%	0.104	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-73.9	138.6	-178.6	3.4	8.6	0	0	0	111.2	E769 D773 K776 H777 F780	E769-P771 WeakPolarHBondContact O-CD 3.46Å; P771-D773 VanDerWaalsContact C-N 3.34Å; P771-K776 HydrophobicContact CB-CB 3.68Å; P771-K776 HydrophobicContact CG-CB 4.06Å; P771-H777 PolarHBondContact O-CD2 3.29Å; P771-H777 VanDerWaalsContact O-CD2 3.23Å; P771-H777 PolarHBondContact O-NE2 2.85Å; P771-F780 HydrophobicContact CG-CB 3.91Å
772	Q	78.1	Confident	77.6	Confident	146 Å²	146	75.6 Å²	75.6	68%	0.682	36%	0.357	S	S	*	.	S	Bend	trans	-74	-26.3	173.6	-60.8	-58.8	-37.5	0	0	112.7
773	D	77.9	Confident	77.9	Confident	74 Å²	74	75.1 Å²	75.1	40%	0.396	36%	0.355	S	S	.	.	S	Bend	trans	-83.9	123.8	178.9	-179.4	-2.9	0	0	0	111.7	P771 A775 K776 H777	P771-D773 VanDerWaalsContact C-N 3.34Å; D773-A775 VanDerWaalsContact C-N 3.25Å; D773-A775 PolarHBondContact O-N 2.95Å; D773-A775 PolarHBondContact OD1-N 2.77Å; D773-K776 HydrophobicContact CB-CB 4.32Å; D773-K776 HydrophobicContact CB-CD 3.93Å; D773-K776 HydrophobicContact CB-CG 4.07Å; D773-K776 WeakPolarHBondContact O-CB 3.34Å; D773-K776 PolarHBondContact O-N 3.48Å; D773-K776 WeakPolarHBondContact OD2-CE 3.29Å; D773-H777 PolarHBondContact O-CD2 3.48Å; D773-H777 VanDerWaalsContact O-CD2 3.24Å
774	K	77.4	Confident	78.6	Confident	175 Å²	175	69.2 Å²	69.2	76%	0.761	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-58.7	-33.1	179.8	-68.8	-174.1	179.5	-179.1	0	113.1	K776 H777	K774-K776 PolarHBondContact O-N 3.38Å; K774-H777 WeakPolarHBondContact O-CB 3.48Å; K774-H777 PolarHBondContact O-N 3.29Å
775	A	75	Confident	79.2	Confident	72 Å²	72	63.9 Å²	63.9	60%	0.595	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-65.2	-24.4	178.2	0	0	0	0	0	112.2	D773	D773-A775 VanDerWaalsContact C-N 3.25Å; D773-A775 PolarHBondContact O-N 2.95Å; D773-A775 PolarHBondContact OD1-N 2.77Å
776	K	77.5	Confident	79.5	Confident	26 Å²	26	59.1 Å²	59.1	11%	0.113	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-90.6	-13.7	-176.7	-63.9	-178.4	-176.8	179	0	112.7	D614 W617 P771 D773 K774 R778 L779 F780	D614-K776 IonicContact OD2-NZ 3.87Å; D614-K776 PolarHBondContact OD2-NZ 3.18Å; W617-K776 HydrophobicContact CD2-CD 3.95Å; W617-K776 HydrophobicContact CE3-CD 3.8Å; W617-K776 HydrophobicContact CE3-CG 4.23Å; W617-K776 HydrophobicContact CH2-CB 3.41Å; W617-K776 VanDerWaalsContact CH2-CB 3.41Å; W617-K776 HydrophobicContact CH2-CD 3.52Å; W617-K776 HydrophobicContact CH2-CG 3.41Å; W617-K776 VanDerWaalsContact CH2-CG 3.41Å; W617-K776 HydrophobicContact CZ2-CB 3.9Å; W617-K776 HydrophobicContact CZ2-CD 3.61Å; W617-K776 HydrophobicContact CZ2-CG 3.99Å; W617-K776 HydrophobicContact CZ3-CB 4.05Å; W617-K776 HydrophobicContact CZ3-CD 3.59Å; W617-K776 HydrophobicContact CZ3-CG 3.53Å; P771-K776 HydrophobicContact CB-CB 3.68Å; P771-K776 HydrophobicContact CG-CB 4.06Å; D773-K776 HydrophobicContact CB-CB 4.32Å; D773-K776 HydrophobicContact CB-CD 3.93Å; D773-K776 HydrophobicContact CB-CG 4.07Å; D773-K776 WeakPolarHBondContact O-CB 3.34Å; D773-K776 PolarHBondContact O-N 3.48Å; D773-K776 WeakPolarHBondContact OD2-CE 3.29Å; K774-K776 PolarHBondContact O-N 3.38Å; K776-R778 VanDerWaalsContact C-N 3.34Å; K776-R778 PolarHBondContact O-N 3.28Å; K776-L779 PolarHBondContact O-N 2.99Å; K776-F780 PolarHBondContact O-N 3.36Å
777	H	82.8	Confident	79.9	Confident	39 Å²	39	56.7 Å²	56.7	18%	0.181	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-37.5	179.9	-67.8	177.5	0	0	0	113.5	W770 P771 D773 K774 L779 F780 W781	W770-H777 AromaticContact CE2-NE2 3.92Å; W770-H777 AromaticContact CZ2-CE1 3.59Å; W770-H777 AromaticContact CZ2-NE2 3.6Å; P771-H777 PolarHBondContact O-CD2 3.29Å; P771-H777 VanDerWaalsContact O-CD2 3.23Å; P771-H777 PolarHBondContact O-NE2 2.85Å; D773-H777 PolarHBondContact O-CD2 3.48Å; D773-H777 VanDerWaalsContact O-CD2 3.24Å; K774-H777 WeakPolarHBondContact O-CB 3.48Å; K774-H777 PolarHBondContact O-N 3.29Å; H777-L779 VanDerWaalsContact C-N 3.27Å; H777-L779 PolarHBondContact O-N 3.48Å; H777-F780 WeakPolarHBondContact O-CB 3.34Å; H777-F780 PolarHBondContact O-N 3.18Å; H777-W781 PolarHBondContact O-N 3.07Å; H777-W781 VanDerWaalsContact O-N 3.12Å
778	R	79.9	Confident	79.9	Confident	220 Å²	220	54.4 Å²	54.4	83%	0.83	27%	0.269	S	S	*	.	H	α-helix	trans	-58.8	-38.9	-178.9	-172	177.7	178.9	179.7	0.6	112.4	K776 A782	K776-R778 VanDerWaalsContact C-N 3.34Å; K776-R778 PolarHBondContact O-N 3.28Å; R778-A782 PolarHBondContact O-N 3Å
779	L	79.3	Confident	79.6	Confident	42 Å²	42	58.9 Å²	58.9	22%	0.22	29%	0.289	C	S	.	.	H	α-helix	trans	-75	-36.9	-179.4	-168.7	62.5	0	0	0	111.8	W617 M621 K776 H777 A782 N783	W617-L779 HydrophobicContact CH2-CD2 4.32Å; W617-L779 HydrophobicContact CZ3-CD2 4.34Å; M621-L779 HydrophobicContact CB-CD2 3.49Å; M621-L779 VanDerWaalsContact CB-CD2 3.49Å; M621-L779 HydrophobicContact CB-CG 4.44Å; M621-L779 HydrophobicContact CE-CB 4.33Å; M621-L779 HydrophobicContact CE-CD2 3.95Å; M621-L779 HydrophobicContact CE-CG 3.91Å; M621-L779 HydrophobicContact CG-CD2 4.22Å; K776-L779 PolarHBondContact O-N 2.99Å; H777-L779 VanDerWaalsContact C-N 3.27Å; H777-L779 PolarHBondContact O-N 3.48Å; L779-A782 PolarHBondContact O-N 3.04Å; L779-N783 VanDerWaalsContact O-CG 3.29Å; L779-N783 PolarHBondContact O-N 3.44Å; L779-N783 PolarHBondContact O-OD1 3.21Å
780	F	84.9	Confident	78.9	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-49.8	173.4	172.2	-89.3	0	0	0	111.7	V741 L768 E769 W770 P771 K776 H777 A782 N783 L784	V741-F780 HydrophobicContact CG1-CE2 4.18Å; V741-F780 HydrophobicContact CG1-CZ 3.71Å; L768-F780 HydrophobicContact CB-CD2 4.48Å; L768-F780 HydrophobicContact CB-CE2 3.93Å; E769-F780 VanDerWaalsContact O-CD2 3.26Å; E769-F780 WeakPolarHBondContact O-CD2 3.44Å; W770-F780 AromaticContact CE3-CD1 3.55Å; W770-F780 HydrophobicContact CE3-CD1 3.55Å; W770-F780 HydrophobicContact CE3-CD2 4.36Å; W770-F780 AromaticContact CE3-CE1 3.44Å; W770-F780 HydrophobicContact CE3-CE1 3.44Å; W770-F780 VanDerWaalsContact CE3-CE1 3.44Å; W770-F780 HydrophobicContact CE3-CE2 4.25Å; W770-F780 HydrophobicContact CE3-CG 4.03Å; W770-F780 AromaticContact CE3-CZ 3.81Å; W770-F780 HydrophobicContact CE3-CZ 3.81Å; W770-F780 AromaticContact CZ3-CD1 3.5Å; W770-F780 HydrophobicContact CZ3-CD1 3.5Å; W770-F780 VanDerWaalsContact CZ3-CD1 3.5Å; W770-F780 AromaticContact CZ3-CE1 3.61Å; W770-F780 HydrophobicContact CZ3-CE1 3.61Å; W770-F780 HydrophobicContact CZ3-CG 4.27Å; W770-F780 HydrophobicContact CZ3-CZ 4.42Å; P771-F780 HydrophobicContact CG-CB 3.91Å; K776-F780 PolarHBondContact O-N 3.36Å; H777-F780 WeakPolarHBondContact O-CB 3.34Å; H777-F780 PolarHBondContact O-N 3.18Å; F780-A782 VanDerWaalsContact C-N 3.35Å; F780-A782 PolarHBondContact O-N 3.4Å; F780-N783 PolarHBondContact O-N 3.03Å; F780-L784 HydrophobicContact CE1-CD2 4.11Å; F780-L784 HydrophobicContact CZ-CD2 4.31Å; F780-L784 PolarHBondContact O-N 3.37Å
781	W	85.3	Confident	78.1	Confident	22 Å²	22	61 Å²	61	8%	0.083	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-38.1	179.8	-65.9	122.7	0	0	0	112.8	W660 F664 L665 N668 W770 H777 N783 L784 R785	W660-W781 HydrophobicContact CH2-CH2 4.05Å; W660-W781 HydrophobicContact CZ2-CH2 4.28Å; F664-W781 HydrophobicContact CB-CH2 4.38Å; F664-W781 HydrophobicContact CB-CZ2 4.21Å; L665-W781 HydrophobicContact CB-CH2 4.46Å; L665-W781 HydrophobicContact CD1-CZ3 4.5Å; N668-W781 HydrophobicContact CB-CD2 3.82Å; N668-W781 HydrophobicContact CB-CE3 3.8Å; N668-W781 HydrophobicContact CB-CG 4.42Å; N668-W781 HydrophobicContact CB-CH2 4.21Å; N668-W781 HydrophobicContact CB-CZ2 4.2Å; N668-W781 HydrophobicContact CB-CZ3 4.01Å; W770-W781 HydrophobicContact CE3-CZ2 4.44Å; W770-W781 AromaticContact CH2-CE2 3.89Å; W770-W781 HydrophobicContact CH2-CH2 4.41Å; W770-W781 AromaticContact CH2-CZ2 3.48Å; W770-W781 HydrophobicContact CH2-CZ2 3.48Å; W770-W781 VanDerWaalsContact CH2-CZ2 3.48Å; W770-W781 AromaticContact CH2-NE1 3.93Å; W770-W781 HydrophobicContact CZ3-CD2 4.49Å; W770-W781 AromaticContact CZ3-CE2 3.6Å; W770-W781 AromaticContact CZ3-CH2 3.93Å; W770-W781 HydrophobicContact CZ3-CH2 3.93Å; W770-W781 AromaticContact CZ3-CZ2 3.28Å; W770-W781 HydrophobicContact CZ3-CZ2 3.28Å; W770-W781 AromaticContact CZ3-NE1 3.9Å; H777-W781 PolarHBondContact O-N 3.07Å; H777-W781 VanDerWaalsContact O-N 3.12Å; W781-N783 VanDerWaalsContact C-N 3.32Å; W781-N783 PolarHBondContact O-N 3.07Å; W781-L784 HydrophobicContact CE3-CD2 4.11Å; W781-L784 HydrophobicContact CZ3-CD2 3.9Å; W781-L784 PolarHBondContact O-N 3.16Å; W781-R785 WeakPolarHBondContact O-CB 3.31Å; W781-R785 WeakPolarHBondContact O-CG 3.45Å; W781-R785 PolarHBondContact O-N 3.35Å
782	A	77.7	Confident	77.3	Confident	44 Å²	44	61.4 Å²	61.4	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-40.6	174.6	0	0	0	0	0	111.9	R778 L779 F780 A786	R778-A782 PolarHBondContact O-N 3Å; L779-A782 PolarHBondContact O-N 3.04Å; F780-A782 VanDerWaalsContact C-N 3.35Å; F780-A782 PolarHBondContact O-N 3.4Å; A782-A786 VanDerWaalsContact O-CB 3.26Å; A782-A786 WeakPolarHBondContact O-CB 3.32Å; A782-A786 PolarHBondContact O-N 3.39Å; A782-A786 VanDerWaalsContact O-N 3.08Å
783	N	77.1	Confident	76.5	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.027	30%	0.3	C	S	.	.	H	α-helix	trans	-68.4	-44.7	177.1	-71	-3	0	0	0	112.1	M621 W625 L768 L779 F780 W781 A786 A787	M621-N783 WeakPolarHBondContact CE-ND2 3.29Å; W625-N783 VanDerWaalsContact CB-OD1 3.28Å; W625-N783 WeakPolarHBondContact CB-OD1 3.43Å; L768-N783 HydrophobicContact CD2-CB 4.07Å; L779-N783 VanDerWaalsContact O-CG 3.29Å; L779-N783 PolarHBondContact O-N 3.44Å; L779-N783 PolarHBondContact O-OD1 3.21Å; F780-N783 PolarHBondContact O-N 3.03Å; W781-N783 VanDerWaalsContact C-N 3.32Å; W781-N783 PolarHBondContact O-N 3.07Å; N783-A786 PolarHBondContact O-N 3.19Å; N783-A787 PolarHBondContact O-N 3.23Å
784	L	83.1	Confident	75.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-45.4	179.9	-175.9	61	0	0	0	111.6	L665 L669 V739 V741 L768 F780 W781 A786 A787 L788	L665-L784 HydrophobicContact CD1-CD2 4.17Å; L669-L784 HydrophobicContact CD1-CD2 4.31Å; L669-L784 HydrophobicContact CD2-CD2 4.27Å; L669-L784 HydrophobicContact CD2-CG 4.34Å; V739-L784 HydrophobicContact CG1-CD1 4.05Å; V741-L784 HydrophobicContact CG2-CD1 3.85Å; L768-L784 HydrophobicContact CD1-CB 4.08Å; L768-L784 HydrophobicContact CD1-CD1 3.77Å; F780-L784 HydrophobicContact CE1-CD2 4.11Å; F780-L784 HydrophobicContact CZ-CD2 4.31Å; F780-L784 PolarHBondContact O-N 3.37Å; W781-L784 HydrophobicContact CE3-CD2 4.11Å; W781-L784 HydrophobicContact CZ3-CD2 3.9Å; W781-L784 PolarHBondContact O-N 3.16Å; L784-A786 PolarHBondContact O-N 2.65Å; L784-A787 WeakPolarHBondContact O-CB 3.49Å; L784-A787 PolarHBondContact O-N 2.87Å; L784-L788 HydrophobicContact CD1-CD1 4.27Å; L784-L788 HydrophobicContact CG-CD1 4.36Å; L784-L788 WeakPolarHBondContact O-CG 3.03Å; L784-L788 PolarHBondContact O-N 3.3Å
785	R	80.5	Confident	73.8	Confident	68 Å²	68	59.8 Å²	59.8	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-46.6	174.7	-75.3	-170.2	-164	161.8	7.1	111.5	N668 L669 L676 W781 A787 L788 Q789	N668-R785 PolarHBondContact O-NE 3.27Å; N668-R785 PolarHBondContact O-NH2 3.42Å; L669-R785 HydrophobicContact CD2-CG 3.79Å; L676-R785 HydrophobicContact CD1-CG 4.44Å; W781-R785 WeakPolarHBondContact O-CB 3.31Å; W781-R785 WeakPolarHBondContact O-CG 3.45Å; W781-R785 PolarHBondContact O-N 3.35Å; R785-A787 PolarHBondContact O-N 3.28Å; R785-L788 PolarHBondContact O-N 3.34Å; R785-Q789 VanDerWaalsContact O-CB 3.23Å; R785-Q789 WeakPolarHBondContact O-CB 3.22Å; R785-Q789 PolarHBondContact O-N 3.34Å
786	A	74.4	Confident	72.1	Confident	22 Å²	22	64.6 Å²	64.6	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-30.9	178.1	0	0	0	0	0	113	A782 N783 L784	A782-A786 VanDerWaalsContact O-CB 3.26Å; A782-A786 WeakPolarHBondContact O-CB 3.32Å; A782-A786 PolarHBondContact O-N 3.39Å; A782-A786 VanDerWaalsContact O-N 3.08Å; N783-A786 PolarHBondContact O-N 3.19Å; L784-A786 PolarHBondContact O-N 2.65Å
787	A	74.9	Confident	70.1	Confident	18 Å²	18	70 Å²	70	15%	0.149	37%	0.367	C	S	.	.	H	α-helix	trans	-71.5	-32.6	174.6	0	0	0	0	0	112.8	R703 R704 N783 L784 R785	R703-A787 PolarHBondContact NH2-O 3.32Å; R704-A787 WeakPolarHBondContact CD-O 3.25Å; R704-A787 PolarHBondContact NE-O 3.28Å; R704-A787 PolarHBondContact NH1-O 3.04Å; N783-A787 PolarHBondContact O-N 3.23Å; L784-A787 WeakPolarHBondContact O-CB 3.49Å; L784-A787 PolarHBondContact O-N 2.87Å; R785-A787 PolarHBondContact O-N 3.28Å
788	L	76.9	Confident	67.8	Low	0 Å²	0	72 Å²	72	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-94.7	-31.1	-174.2	-61.3	-177.8	0	0	0	113.6	A649 L669 L676 R703 R704 V706 V739 L784 R785 A790	A649-L788 HydrophobicContact CB-CD1 4.23Å; A649-L788 HydrophobicContact CB-CD2 4.01Å; L669-L788 HydrophobicContact CD1-CD1 4.08Å; L676-L788 HydrophobicContact CD1-CB 3.81Å; L676-L788 HydrophobicContact CD1-CD1 4.36Å; R703-L788 PolarHBondContact NH2-O 3.41Å; R704-L788 HydrophobicContact CB-CD2 4.15Å; V706-L788 HydrophobicContact CG2-CD1 3.89Å; V706-L788 HydrophobicContact CG2-CD2 3.62Å; V706-L788 HydrophobicContact CG2-CG 4.36Å; V739-L788 HydrophobicContact CG2-CD2 4.03Å; L784-L788 HydrophobicContact CD1-CD1 4.27Å; L784-L788 HydrophobicContact CG-CD1 4.36Å; L784-L788 WeakPolarHBondContact O-CG 3.03Å; L784-L788 PolarHBondContact O-N 3.3Å; R785-L788 PolarHBondContact O-N 3.34Å; L788-A790 PolarHBondContact O-N 3.33Å
789	Q	74.8	Confident	65.6	Low	119 Å²	119	70.3 Å²	70.3	56%	0.556	39%	0.392	S	S	*	.			trans	-59.3	131.5	-173.1	-165.7	159	10.2	0	0	112.5	L676 R703 R785	L676-Q789 HydrophobicContact CD2-CB 4.38Å; R703-Q789 PolarHBondContact NH2-O 3.32Å; R785-Q789 VanDerWaalsContact O-CB 3.23Å; R785-Q789 WeakPolarHBondContact O-CB 3.22Å; R785-Q789 PolarHBondContact O-N 3.34Å
790	A	70.2	Confident	63.5	Low	15 Å²	15	74.3 Å²	74.3	12%	0.124	42%	0.418	C	S	.	.			trans	-160.6	151	174.4	0	0	0	0	0	108.3	H648 L788 L792	H648-A790 PolarHBondContact CD2-O 3.19Å; H648-A790 PolarHBondContact NE2-O 3.46Å; L788-A790 PolarHBondContact O-N 3.33Å; A790-L792 PolarHBondContact O-N 3.48Å
791	D	67.8	Low	61.2	Low	155 Å²	155	83.6 Å²	83.6	83%	0.829	46%	0.462	S	S	*	.			trans	-79	103.1	176.7	-61.8	-32	0	0	0	109
792	L	67.6	Low	58.8	Low	26 Å²	26	95.6 Å²	95.6	14%	0.136	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-86.5	145.3	172.8	-66.5	175.2	0	0	0	110.3	L642 I645 H648 A790 S794	L642-L792 HydrophobicContact CD2-CD2 3.93Å; I645-L792 HydrophobicContact CB-CD2 4.4Å; I645-L792 HydrophobicContact CG2-CD2 3.71Å; H648-L792 HydrophobicContact CB-CD1 4.41Å; A790-L792 PolarHBondContact O-N 3.48Å; L792-S794 PolarHBondContact O-N 3.21Å
793	P	61.3	Low	57.8	Low	76 Å²	76	98.2 Å²	98.2	49%	0.494	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-59.4	130.9	174.3	22	-30	0	0	0	111
794	S	53.4	Low	56.8	Low	107 Å²	107	103.1 Å²	103.1	75%	0.748	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-69.2	133.5	174.4	52.1	0	0	0	0	109.8	L792 L796	L792-S794 PolarHBondContact O-N 3.21Å; S794-L796 PolarHBondContact O-N 2.94Å; S794-L796 VanDerWaalsContact O-N 3.12Å
795	K	46.3	Very low	55.4	Low	177 Å²	177	108.8 Å²	108.8	77%	0.77	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-53.1	118.5	171.4	-111.7	179.4	175.2	179.3	0	108.5	V797	K795-V797 PolarHBondContact O-N 3.07Å
796	L	37.7	Very low	53.9	Low	173 Å²	173	111.2 Å²	111.2	91%	0.906	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-62.3	125.4	167	-97.8	135.3	0	0	0	108.2	S794	S794-L796 PolarHBondContact O-N 2.94Å; S794-L796 VanDerWaalsContact O-N 3.12Å
797	V	35.6	Very low	52.6	Low	139 Å²	139	116.8 Å²	116.8	84%	0.842	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-77.2	145.4	174.4	174.5	0	0	0	0	108.7	K795	K795-V797 PolarHBondContact O-N 3.07Å
798	A	36	Very low	51.1	Low	81 Å²	81	123.3 Å²	123.3	67%	0.669	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-61.3	162.6	-165.7	0	0	0	0	0	117.9
799	E	32.2	Very low	49.3	Very low	186 Å²	186	132.1 Å²	132.1	87%	0.869	71%	0.708	S	S	*	*			trans	-143	105.7	138.3	-77	-178.6	165	0	0	106.6
800	T	35.8	Very low	47.3	Very low	126 Å²	126	133.2 Å²	133.2	77%	0.773	72%	0.72	S	S	*	*				35.6	113.5	98	43.3	0	0	0	0	116.2
801	E	35.8	Very low	45.4	Very low	196 Å²	196	143 Å²	143	92%	0.916	77%	0.769	S	S	*	*			trans	-162.7	128.1	133.2	-108.1	172.6	-167.5	0	0	111.1
802	E	35.5	Very low	43.4	Very low	274 Å²	274	141.9 Å²	141.9	100%	1.28	76%	0.764	S	S	*	*			trans	51.5	0	171.9	-64.3	-171.6	161.6	0	0	122.2

Retrieved 802 of 802 residues in 470.5 ms (Link to these results)

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