A0A077ZA53_TRITR Loading...

PAZ and DUF1785 and Piwi domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZA53, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 847 aa.

						>A0A077ZA53_TRITR|A0A077ZA53
MAFASEVSSSVSELTSDLASRPDYGSEGRRIQLVSNFVELKKKATGLIEVVQYHVEIASDKVRLTREDKRTVFWKLVKETPKVFAKPFSMAYDGETLVFSREALPIKENETFEGQVKIQVLRSNRPIDIQVRIKKSGIVKILFKDPKSGGALPTDMEKTPIQVIDLILAQGRVCSLVNRSKRFFLIANSAYEVPERGGVNLKFGVELWRGLFMSARVGEGYRPMVNIDVSHAPFYRPQSVLNYICDVLNGDRSPPRYAIDQIRSNTRLSDGELKIIGQAVKGIRVTVTHRECGAQYRVIGIAPDASRQIFTLQDGREISVADFFRETYLTLRFPRMPALQAGSKKRSIYLPVEVCNVAEKQRYGTKKLSGFQTTLVLRQCAMDAPTRLRTCMDMMRWANLENDEFLKDFGLDFARTFIEVPGRILHPPKLEYKRGGSSAIVEPSNGTWQMRDVQFFQGGDCLNFSAIAFGRPSSLGQVGEFCTTVAKVCNDLGMNVGRKADMLLPAHDITAFEKVLERLVAEYKVHNKVCRLVFVALSDAKEYSEVKRTADVKFGIMTQCFLQRVLYDVAVKHSIMTATNLALKVNMKMGGVNTRLLPDPFVKANLTDKNALILGVDVTHPHIADNESPSIAAVVGNIDVDCTKYVASIRVQPKRRESILYLEDEYRERINAYSNANNKRPTRIILFRDGVSEGEFKQVLQEELRALRVACRSLDKRYRPGITFIVVQKRHHARFMCKDEREAVGKGRNIPAGTVVDHRITSSDGYDFYLCSHAGIQGTSKPAKYNVLYDDNSLNSDTVQAISYYLCHVYGRCMRSVSIPAPVYFAHLACYRSRHHSYLLTYTYFVF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	33.4	Very low	226 Å²	226	101.5 Å²	101.5	100%	1.113	60%	0.604	S	S	*	*				0	-31	0	-70.1	-176	-163	0	0	113.5	F3 A4	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.11Å; M1-A4 PolarHBondContact O-N 2.79Å
2	A	32.6	Very low	33.7	Very low	74 Å²	74	100.5 Å²	100.5	61%	0.612	61%	0.606	S	S	*	*	H	α-helix	trans	-66.3	-23.7	176.3	0	0	0	0	0	115.6	S5	A2-S5 PolarHBondContact O-OG 2.79Å
3	F	29.6	Very low	34.4	Very low	166 Å²	166	105 Å²	105	73%	0.728	62%	0.617	S	S	*	*	H	α-helix	trans	-75.8	-21	177.8	-101.8	-88.6	0	0	0	114.5	M1	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.11Å
4	A	31.3	Very low	35.5	Very low	75 Å²	75	101.3 Å²	101.3	62%	0.62	59%	0.593	S	S	*	*	H	α-helix	trans	-85.8	-23.5	177.6	0	0	0	0	0	112.2	M1 S8	M1-A4 PolarHBondContact O-N 2.79Å; A4-S8 PolarHBondContact O-N 3.18Å
5	S	32.5	Very low	36.6	Very low	69 Å²	69	100.9 Å²	100.9	48%	0.483	59%	0.592	S	S	.	*	H	α-helix	trans	-79.6	-35.3	-179.3	50.1	0	0	0	0	113.4	A2 S8 S9	A2-S5 PolarHBondContact O-OG 2.79Å; S5-S8 PolarHBondContact O-N 2.73Å; S5-S9 PolarHBondContact O-N 3.01Å; S5-S9 PolarHBondContact O-OG 2.91Å
6	E	31.9	Very low	37.7	Very low	136 Å²	136	98.9 Å²	98.9	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-72.7	-29.3	178.1	-81.4	-173.4	151.4	0	0	113.9	S8 S9 S10	E6-S8 VanDerWaalsContact C-N 3.31Å; E6-S9 PolarHBondContact O-OG 2.61Å; E6-S10 PolarHBondContact O-N 3.23Å; E6-S10 PolarHBondContact O-OG 2.84Å
7	V	34.2	Very low	39.8	Very low	98 Å²	98	98.5 Å²	98.5	59%	0.594	58%	0.58	S	S	*	*	H	α-helix	trans	-75.8	-24.9	172.9	-177.3	0	0	0	0	111	V11	V7-V11 WeakPolarHBondContact O-CG2 3.31Å
8	S	32.1	Very low	42.4	Very low	83 Å²	83	93.8 Å²	93.8	58%	0.58	55%	0.552	S	S	*	*	H	α-helix	trans	-78.4	-41.8	175.3	-169.7	0	0	0	0	112.2	A4 S5 E6 V11 S12	A4-S8 PolarHBondContact O-N 3.18Å; S5-S8 PolarHBondContact O-N 2.73Å; E6-S8 VanDerWaalsContact C-N 3.31Å; S8-V11 PolarHBondContact O-N 2.6Å; S8-S12 PolarHBondContact O-N 3.22Å
9	S	32	Very low	44.9	Very low	77 Å²	77	89.9 Å²	89.9	54%	0.538	53%	0.532	S	S	.	.	H	α-helix	trans	-76.2	-24	-175.4	62.8	0	0	0	0	114.9	S5 E6 S12	S5-S9 PolarHBondContact O-N 3.01Å; S5-S9 PolarHBondContact O-OG 2.91Å; E6-S9 PolarHBondContact O-OG 2.61Å; S9-S12 PolarHBondContact O-OG 3Å; S9-S12 VanDerWaalsContact O-OG 3.04Å
10	S	35.5	Very low	47.1	Very low	71 Å²	71	89.4 Å²	89.4	50%	0.497	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.2	176.8	58.1	0	0	0	0	114	E6	E6-S10 PolarHBondContact O-N 3.23Å; E6-S10 PolarHBondContact O-OG 2.84Å
11	V	38.6	Very low	49.3	Very low	41 Å²	41	86.5 Å²	86.5	25%	0.248	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-9.3	178.2	-178.6	0	0	0	0	111.6	V7 S8 E13	V7-V11 WeakPolarHBondContact O-CG2 3.31Å; S8-V11 PolarHBondContact O-N 2.6Å; V11-E13 VanDerWaalsContact C-N 3.3Å; V11-E13 PolarHBondContact O-N 3.4Å
12	S	37.5	Very low	52	Low	90 Å²	90	79.3 Å²	79.3	63%	0.629	48%	0.483	S	S	*	.			trans	-76.3	-5.4	177.5	54	0	0	0	0	115.3	S8 S9 L14	S8-S12 PolarHBondContact O-N 3.22Å; S9-S12 PolarHBondContact O-OG 3Å; S9-S12 VanDerWaalsContact O-OG 3.04Å; S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 3.26Å
13	E	42.5	Very low	55	Low	159 Å²	159	78.5 Å²	78.5	74%	0.743	47%	0.468	S	S	*	.			trans	-93.4	51.2	174.9	-70.3	-177	163.8	0	0	112.6	V11 T15	V11-E13 VanDerWaalsContact C-N 3.3Å; V11-E13 PolarHBondContact O-N 3.4Å; E13-T15 PolarHBondContact O-N 2.83Å
14	L	49.2	Very low	58.2	Low	53 Å²	53	74.6 Å²	74.6	28%	0.277	45%	0.449	S	S	.	.			trans	-84.2	94.2	150.7	-96.5	143.5	0	0	0	105.4	S12 S16 Q701 L704	S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 3.26Å; L14-S16 PolarHBondContact O-N 3.23Å; L14-Q701 HydrophobicContact CD2-CG 4.47Å; L14-L704 HydrophobicContact CD2-CD2 4.27Å
15	T	52	Low	61.3	Low	96 Å²	96	71.4 Å²	71.4	59%	0.589	42%	0.423	S	S	*	.			trans	-50.8	116.9	158.5	46.8	0	0	0	0	105.8	E13 D17	E13-T15 PolarHBondContact O-N 2.83Å; T15-D17 PolarHBondContact O-N 2.83Å
16	S	55.3	Low	64.4	Low	69 Å²	69	72.2 Å²	72.2	48%	0.483	43%	0.429	S	S	.	.			trans	-63.4	-2.4	-174.9	51.9	0	0	0	0	113.9	L14	L14-S16 PolarHBondContact O-N 3.23Å
17	D	73	Confident	67.5	Low	91 Å²	91	71.2 Å²	71.2	49%	0.487	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-98.6	131.6	-162.5	-58.7	-19.6	0	0	0	109.6	T15	T15-D17 PolarHBondContact O-N 2.83Å
18	L	85.8	Confident	70.5	Confident	14 Å²	14	67.4 Å²	67.4	7%	0.073	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-74	149.2	178.3	-65.2	173.3	0	0	0	109	S20 L152 F696 K697 L700 L788	L18-S20 PolarHBondContact O-N 3.15Å; L18-L152 HydrophobicContact CB-CB 4.47Å; L18-L152 HydrophobicContact CB-CD1 3.85Å; L18-L152 HydrophobicContact CD1-CB 3.74Å; L18-L152 HydrophobicContact CD1-CD1 3.35Å; L18-L152 HydrophobicContact CD1-CG 4.18Å; L18-L152 HydrophobicContact CG-CD1 4.17Å; L18-F696 HydrophobicContact CD1-CB 4.26Å; L18-K697 HydrophobicContact CD1-CG 3.82Å; L18-K697 HydrophobicContact CD2-CG 4.45Å; L18-K697 HydrophobicContact CG-CG 4.21Å; L18-L700 HydrophobicContact CD2-CD2 3.5Å; L18-L788 HydrophobicContact CD2-CB 4.08Å; L18-L788 HydrophobicContact CD2-CD2 4.4Å
19	A	90.9	Very high	73.6	Confident	21 Å²	21	69.1 Å²	69.1	17%	0.174	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-55.9	126.7	-179.2	0	0	0	0	0	111.7	V787 L788	A19-V787 HydrophobicContact CB-CG1 4.46Å; A19-L788 PolarHBondContact N-O 2.98Å
20	S	89.6	Confident	76.8	Confident	78 Å²	78	75.7 Å²	75.7	55%	0.545	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-79.3	150	171.6	57.2	0	0	0	0	110.6	L18 P22	L18-S20 PolarHBondContact O-N 3.15Å; S20-P22 WeakPolarHBondContact O-CD 2.99Å
21	R	91.9	Very high	79.8	Confident	30 Å²	30	72.7 Å²	72.7	11%	0.113	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-60.5	123	175.4	-176.4	-177.1	-54.9	-80.4	-3.4	110.6	D23 S762 G765 Y766 D767	R21-D23 VanDerWaalsContact CD-O 3.24Å; R21-D23 WeakPolarHBondContact CD-O 3.16Å; R21-D23 WeakPolarHBondContact CG-O 3.5Å; R21-S762 PolarHBondContact NH2-O 3.23Å; R21-G765 PolarHBondContact NH2-O 3.07Å; R21-Y766 HydrophobicContact CG-CD2 4.29Å; R21-D767 PolarHBondContact NH1-O 2.87Å; R21-D767 PolarHBondContact NH2-O 2.87Å; R21-D767 IonicContact NH2-OD1 3.8Å; R21-D767 PolarHBondContact NH2-OD1 3.12Å
22	P	93.6	Very high	82.6	Confident	75 Å²	75	75.5 Å²	75.5	49%	0.487	40%	0.401	S	S	.	.			trans	-76.8	-35.7	180	28.9	-32.9	0	0	0	112.3	S20 Y766	S20-P22 WeakPolarHBondContact O-CD 2.99Å; P22-Y766 VanDerWaalsContact CD-CD1 3.45Å; P22-Y766 HydrophobicContact CG-CD1 4.22Å; P22-Y766 HydrophobicContact CG-CE1 3.65Å; P22-Y766 HydrophobicContact CG-CE2 4.31Å
23	D	95.5	Very high	85.5	Confident	57 Å²	57	71.2 Å²	71.2	31%	0.305	37%	0.371	S	S	.	.			trans	-164.8	-173	-176.2	57.2	12.2	0	0	0	111	R21 N795 S796	R21-D23 VanDerWaalsContact CD-O 3.24Å; R21-D23 WeakPolarHBondContact CD-O 3.16Å; R21-D23 WeakPolarHBondContact CG-O 3.5Å; D23-N795 VanDerWaalsContact OD2-CB 3.26Å; D23-N795 WeakPolarHBondContact OD2-CB 3.46Å; D23-S796 PolarHBondContact O-OG 3.37Å; D23-S796 WeakPolarHBondContact OD1-CB 3.09Å; D23-S796 PolarHBondContact OD1-N 2.82Å; D23-S796 PolarHBondContact OD1-OG 2.96Å
24	Y	96.5	Very high	88.2	Confident	83 Å²	83	64.3 Å²	64.3	33%	0.325	34%	0.34	S	S	.	.			trans	-114.3	145.1	166.9	-67.3	-87.2	0	0	0	109	D757 H758	Y24-D757 WeakPolarHBondContact CD1-O 3.23Å; Y24-D757 WeakPolarHBondContact CE1-O 3.42Å; Y24-H758 AromaticContact CD1-CE1 3.14Å; Y24-H758 WeakPolarHBondContact CD1-CE1 3.21Å; Y24-H758 AromaticContact CD1-CG 3.96Å; Y24-H758 AromaticContact CD1-ND1 3.41Å; Y24-H758 WeakPolarHBondContact CD1-ND1 3.3Å; Y24-H758 AromaticContact CD1-NE2 3.59Å; Y24-H758 AromaticContact CD2-CE1 3.77Å; Y24-H758 AromaticContact CE1-CE1 3.68Å; Y24-H758 AromaticContact CE1-ND1 3.51Å; Y24-H758 AromaticContact CG-CE1 3.19Å; Y24-H758 AromaticContact CG-ND1 3.91Å; Y24-H758 AromaticContact CG-NE2 3.65Å
25	G	97.3	Very high	90.5	Very high	8 Å²	8	61.8 Å²	61.8	8%	0.082	33%	0.326	C	S	.	.			trans	-69.3	147.9	-178.6	0	0	0	0	0	111.9	R423 D757 D797	G25-R423 VanDerWaalsContact CA-NH2 3.29Å; G25-R423 PolarHBondContact O-NE 2.97Å; G25-R423 PolarHBondContact O-NH2 2.97Å; G25-D757 PolarHBondContact N-OD2 2.88Å; G25-D797 WeakPolarHBondContact CA-OD1 3.45Å
26	S	97.5	Very high	92.7	Very high	87 Å²	87	57.2 Å²	57.2	61%	0.608	30%	0.298	S	S	*	.			trans	-116.6	-21.6	-176.4	66.1	0	0	0	0	112.8	D797	S26-D797 PolarHBondContact N-OD1 3Å; S26-D797 PolarHBondContact N-OD2 2.91Å; S26-D797 PolarHBondContact OG-OD2 2.87Å
27	E	97.3	Very high	94.7	Very high	114 Å²	114	54.1 Å²	54.1	53%	0.533	28%	0.276	S	S	.	.			trans	-75.3	150.7	-172.5	-72.5	-62.6	146.1	0	0	113.5	R423 D797	E27-R423 WeakPolarHBondContact O-CD 3.4Å; E27-R423 PolarHBondContact O-NH1 2.89Å; E27-D797 HydrophobicContact CB-CB 4.4Å; E27-D797 WeakPolarHBondContact CB-OD1 3.47Å; E27-D797 HydrophobicContact CG-CB 4.01Å; E27-D797 PolarHBondContact N-OD1 3.34Å; E27-D797 PolarHBondContact N-OD2 3.25Å
28	G	97.2	Very high	95.8	Very high	19 Å²	19	49.8 Å²	49.8	20%	0.196	25%	0.253	C	S	.	.	S	Bend	trans	89.1	166	176.1	0	0	0	0	0	115.4	R30 I424	G28-R30 PolarHBondContact O-N 2.87Å; G28-I424 CarbonylContact C-O 3.52Å; G28-I424 VanDerWaalsContact CA-O 3.26Å; G28-I424 WeakPolarHBondContact CA-O 3.2Å
29	R	97.6	Very high	96.2	Very high	118 Å²	118	53 Å²	53	45%	0.445	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127.9	-175.1	-174.8	179.2	70	99.9	-6.5	110.9	R423 I424 E742	R29-R423 CarbonylContact O-C 3.58Å; R29-R423 WeakPolarHBondContact O-CA 3.39Å; R29-I424 PolarHBondContact N-O 2.85Å; R29-I424 PolarHBondContact O-N 2.65Å; R29-E742 IonicContact CZ-OE1 2.72Å; R29-E742 IonicContact CZ-OE2 3.5Å; R29-E742 IonicContact NH1-OE1 2.76Å; R29-E742 PolarHBondContact NH1-OE1 3.43Å; R29-E742 IonicContact NH1-OE2 2.66Å; R29-E742 PolarHBondContact NH1-OE2 3.22Å; R29-E742 IonicContact NH2-OE1 2.66Å; R29-E742 IonicContact NH2-OE2 3.64Å; R29-E742 PolarHBondContact NH2-OE2 3.27Å
30	R	98.2	Very high	96.3	Very high	215 Å²	215	52.2 Å²	52.2	81%	0.811	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	141.1	176.8	-63.6	-175.5	179.2	-155	-1.2	111.7	G28 G422	G28-R30 PolarHBondContact O-N 2.87Å; R30-G422 WeakPolarHBondContact CA-O 3.39Å
31	I	98.2	Very high	96.3	Very high	8 Å²	8	53 Å²	53	4%	0.041	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.9	173.4	-175.2	167.4	0	0	0	109.7	L33 G422 I424 E742 P751 T754	I31-L33 HydrophobicContact CD1-CD2 3.89Å; I31-L33 HydrophobicContact CG1-CD2 3.82Å; I31-L33 HydrophobicContact CG2-CD1 4.47Å; I31-L33 HydrophobicContact CG2-CD2 4.06Å; I31-L33 HydrophobicContact CG2-CG 4.21Å; I31-G422 PolarHBondContact N-O 3Å; I31-G422 WeakPolarHBondContact O-CA 3.26Å; I31-G422 PolarHBondContact O-N 2.83Å; I31-G422 VanDerWaalsContact O-O 3.11Å; I31-I424 HydrophobicContact CB-CD1 4.07Å; I31-I424 HydrophobicContact CB-CG1 4.27Å; I31-I424 HydrophobicContact CD1-CD1 3.9Å; I31-I424 HydrophobicContact CG2-CD1 4.19Å; I31-I424 HydrophobicContact CG2-CG1 3.85Å; I31-E742 HydrophobicContact CD1-CB 3.84Å; I31-E742 HydrophobicContact CD1-CG 4.26Å; I31-P751 HydrophobicContact CD1-CG 4.34Å; I31-T754 HydrophobicContact CG2-CG2 4.27Å
32	Q	98.5	Very high	96	Very high	100 Å²	100	56.3 Å²	56.3	47%	0.467	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.6	173.7	-66.3	-62.2	-21.9	0	0	110.3	K738	Q32-K738 HydrophobicContact CB-CB 3.97Å; Q32-K738 HydrophobicContact CB-CD 4.22Å; Q32-K738 WeakPolarHBondContact O-CB 3.41Å; Q32-K738 PolarHBondContact O-N 2.94Å
33	L	98.6	Very high	95.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	159.6	-175.3	-53.1	176.3	0	0	0	110.8	I31 E419 V420 M736 I750 T754 V756	I31-L33 HydrophobicContact CD1-CD2 3.89Å; I31-L33 HydrophobicContact CG1-CD2 3.82Å; I31-L33 HydrophobicContact CG2-CD1 4.47Å; I31-L33 HydrophobicContact CG2-CD2 4.06Å; I31-L33 HydrophobicContact CG2-CG 4.21Å; L33-E419 CarbonylContact O-C 3.53Å; L33-E419 WeakPolarHBondContact O-CA 3.22Å; L33-V420 HydrophobicContact CB-CG2 3.73Å; L33-V420 WeakPolarHBondContact CB-O 3.45Å; L33-V420 HydrophobicContact CD1-CG2 4.4Å; L33-V420 PolarHBondContact N-O 2.85Å; L33-V420 PolarHBondContact O-N 3.45Å; L33-M736 CarbonylContact C-O 3.21Å; L33-M736 WeakPolarHBondContact CA-O 3.48Å; L33-I750 HydrophobicContact CD2-CB 4.48Å; L33-I750 HydrophobicContact CD2-CG2 3.62Å; L33-T754 HydrophobicContact CD1-CG2 3.56Å; L33-T754 HydrophobicContact CD2-CG2 4.49Å; L33-V756 HydrophobicContact CD1-CG2 3.57Å
34	V	98.4	Very high	94.9	Very high	15 Å²	15	57.8 Å²	57.8	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.7	168.1	-173.9	0	0	0	0	108	L388 F417 E419 F735 M736 K738	V34-L388 HydrophobicContact CG1-CD2 4.22Å; V34-F417 HydrophobicContact CG1-CB 3.51Å; V34-F417 HydrophobicContact CG1-CD2 4.48Å; V34-F417 HydrophobicContact CG1-CG 4.41Å; V34-E419 HydrophobicContact CG2-CG 4.41Å; V34-F735 CarbonylContact O-C 3.48Å; V34-F735 VanDerWaalsContact O-CA 3.31Å; V34-F735 WeakPolarHBondContact O-CA 3.33Å; V34-M736 HydrophobicContact CB-CE 3.59Å; V34-M736 HydrophobicContact CB-CG 3.89Å; V34-M736 HydrophobicContact CG1-CE 3.79Å; V34-M736 HydrophobicContact CG2-CE 3.81Å; V34-M736 PolarHBondContact N-O 2.85Å; V34-M736 PolarHBondContact O-N 2.7Å; V34-K738 HydrophobicContact CG2-CB 4.11Å; V34-K738 HydrophobicContact CG2-CG 4.4Å
35	S	98.3	Very high	93.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	168.9	177.5	72.4	0	0	0	0	111	F37 F417 I418 R734	S35-F37 PolarHBondContact O-N 2.9Å; S35-F37 PolarHBondContact OG-N 3.47Å; S35-F417 WeakPolarHBondContact O-CB 3.36Å; S35-F417 VanDerWaalsContact O-CG 3.26Å; S35-F417 WeakPolarHBondContact O-CG 3.42Å; S35-I418 PolarHBondContact N-O 2.86Å; S35-I418 PolarHBondContact OG-O 3.2Å; S35-R734 CarbonylContact C-O 3.59Å; S35-R734 WeakPolarHBondContact CA-O 3.48Å
36	N	97.7	Very high	93	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	35.8	168.2	69.9	-27.6	0	0	0	112.6	N226 I227 L388 F417 H732 A733 R734	N36-N226 VanDerWaalsContact CG-ND2 3.29Å; N36-N226 PolarHBondContact ND2-ND2 2.92Å; N36-N226 PolarHBondContact O-ND2 2.81Å; N36-N226 PolarHBondContact OD1-ND2 3.21Å; N36-I227 VanDerWaalsContact CB-O 3.31Å; N36-I227 WeakPolarHBondContact CB-O 3.37Å; N36-I227 VanDerWaalsContact CG-O 3.27Å; N36-I227 PolarHBondContact ND2-O 2.82Å; N36-I227 PolarHBondContact O-N 2.83Å; N36-L388 HydrophobicContact CB-CD1 4.18Å; N36-L388 HydrophobicContact CB-CG 4.14Å; N36-F417 HydrophobicContact CB-CE1 4.44Å; N36-H732 PolarHBondContact ND2-O 3.03Å; N36-H732 PolarHBondContact OD1-O 3.12Å; N36-A733 WeakPolarHBondContact OD1-CA 3.34Å; N36-R734 HydrophobicContact CB-CB 4.36Å; N36-R734 PolarHBondContact N-O 2.86Å; N36-R734 PolarHBondContact OD1-N 2.78Å; N36-R734 PolarHBondContact OD1-O 3.4Å
37	F	97.7	Very high	92.2	Very high	3 Å²	3	61.5 Å²	61.5	1%	0.013	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.7	172.3	-70.6	-110.7	0	0	0	109.2	S35 R216 M224 V225 N226 F417 I418 A733 I760	S35-F37 PolarHBondContact O-N 2.9Å; S35-F37 PolarHBondContact OG-N 3.47Å; F37-R216 HydrophobicContact CE1-CB 4.24Å; F37-R216 HydrophobicContact CE1-CG 4.15Å; F37-M224 HydrophobicContact CB-SD 4.44Å; F37-M224 HydrophobicContact CD1-CB 4.4Å; F37-M224 HydrophobicContact CD1-CE 3.94Å; F37-M224 HydrophobicContact CD1-CG 3.89Å; F37-M224 HydrophobicContact CD1-SD 3.48Å; F37-M224 WeakPolarHBondContact CD1-SD 3.42Å; F37-M224 HydrophobicContact CE1-CE 3.82Å; F37-M224 HydrophobicContact CE1-SD 4.01Å; F37-M224 HydrophobicContact CG-SD 4.24Å; F37-V225 WeakPolarHBondContact CA-O 2.88Å; F37-N226 HydrophobicContact CD1-CB 3.87Å; F37-N226 HydrophobicContact CE1-CB 3.56Å; F37-N226 HydrophobicContact CE2-CB 4.29Å; F37-N226 HydrophobicContact CG-CB 4.39Å; F37-N226 HydrophobicContact CZ-CB 3.79Å; F37-F417 CarbonylContact O-C 3.48Å; F37-F417 VanDerWaalsContact O-CA 3.29Å; F37-F417 WeakPolarHBondContact O-CA 3.11Å; F37-F417 WeakPolarHBondContact O-CD1 3.49Å; F37-I418 HydrophobicContact CB-CB 4.44Å; F37-I418 HydrophobicContact CB-CD1 3.91Å; F37-I418 HydrophobicContact CB-CG1 4.37Å; F37-I418 WeakPolarHBondContact O-CG1 3.44Å; F37-I418 PolarHBondContact O-N 3.25Å; F37-A733 HydrophobicContact CE2-CB 3.7Å; F37-A733 HydrophobicContact CZ-CB 4.1Å; F37-I760 HydrophobicContact CB-CG2 4.17Å; F37-I760 HydrophobicContact CD1-CG2 4.44Å; F37-I760 HydrophobicContact CD2-CB 4.45Å; F37-I760 HydrophobicContact CD2-CD1 4.24Å; F37-I760 HydrophobicContact CD2-CG2 4.14Å; F37-I760 HydrophobicContact CE2-CB 4.49Å; F37-I760 HydrophobicContact CE2-CD1 3.9Å; F37-I760 HydrophobicContact CG-CG2 4.02Å; F37-I760 HydrophobicContact CZ-CD1 4.44Å
38	V	95.7	Very high	91.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.1	169.1	-67	0	0	0	0	108.3	M224 V225 I227 M392 M395 F413 F417	V38-M224 CarbonylContact O-C 3.6Å; V38-M224 VanDerWaalsContact O-CA 3.23Å; V38-M224 WeakPolarHBondContact O-CA 3.2Å; V38-M224 WeakPolarHBondContact O-CB 3.4Å; V38-V225 HydrophobicContact CG2-CB 4.04Å; V38-V225 PolarHBondContact N-O 2.96Å; V38-V225 PolarHBondContact O-N 3.28Å; V38-I227 HydrophobicContact CG1-CD1 4.44Å; V38-I227 HydrophobicContact CG2-CD1 3.46Å; V38-I227 VanDerWaalsContact CG2-CD1 3.46Å; V38-I227 HydrophobicContact CG2-CG1 4.21Å; V38-M392 HydrophobicContact CG1-CE 4.43Å; V38-M395 HydrophobicContact CG2-CE 4.36Å; V38-F413 HydrophobicContact CB-CD1 4.39Å; V38-F413 HydrophobicContact CG2-CD1 3.43Å; V38-F413 VanDerWaalsContact CG2-CD1 3.43Å; V38-F413 HydrophobicContact CG2-CE1 3.64Å; V38-F417 HydrophobicContact CG1-CD1 3.58Å; V38-F417 HydrophobicContact CG1-CE1 3.8Å
39	E	94.2	Very high	91.4	Very high	82 Å²	82	58.7 Å²	58.7	38%	0.383	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.1	174.1	-172.7	176.9	-167	0	0	110	A414 I418	E39-A414 HydrophobicContact CB-CB 3.92Å; E39-A414 PolarHBondContact O-N 3.25Å; E39-I418 HydrophobicContact CB-CD1 4.44Å
40	L	92.5	Very high	91.2	Very high	4 Å²	4	53 Å²	53	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	103.1	173.7	-176.3	69.4	0	0	0	108.2	K42 I164 P223 V225 L411 D412 F413	L40-K42 PolarHBondContact O-N 2.79Å; L40-I164 HydrophobicContact CD2-CD1 4.05Å; L40-I164 HydrophobicContact CD2-CG2 3.62Å; L40-P223 HydrophobicContact CB-CB 4.11Å; L40-P223 HydrophobicContact CB-CG 4.46Å; L40-P223 HydrophobicContact CD2-CB 4.39Å; L40-P223 PolarHBondContact N-O 3.45Å; L40-P223 VanDerWaalsContact O-CG 3.3Å; L40-P223 WeakPolarHBondContact O-CG 3.14Å; L40-V225 HydrophobicContact CB-CG2 4.27Å; L40-V225 HydrophobicContact CD1-CG2 4.26Å; L40-L411 HydrophobicContact CD1-CB 4.32Å; L40-L411 HydrophobicContact CD2-CD1 4.48Å; L40-L411 HydrophobicContact CD2-CD2 4.32Å; L40-L411 HydrophobicContact CG-CD2 4.39Å; L40-D412 CarbonylContact C-O 3.56Å; L40-F413 HydrophobicContact CD1-CE1 4.5Å
41	K	89.5	Confident	91.1	Very high	96 Å²	96	43.5 Å²	43.5	42%	0.417	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.3	-179	-62.8	-177.1	177.5	-175.7	0	110.2	L411 D412	K41-L411 CarbonylContact O-C 3.52Å; K41-L411 WeakPolarHBondContact O-CA 3.31Å; K41-D412 HydrophobicContact CB-CB 4.37Å; K41-D412 PolarHBondContact N-O 3.26Å; K41-D412 PolarHBondContact O-N 3.05Å
42	K	86.7	Confident	90.9	Very high	99 Å²	99	45.1 Å²	45.1	43%	0.43	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.6	167.4	-178.7	-175.5	172.2	-170.8	0	109	L40 G46 I48	L40-K42 PolarHBondContact O-N 2.79Å; K42-G46 WeakPolarHBondContact CE-O 3.39Å; K42-G46 PolarHBondContact NZ-O 2.83Å; K42-I48 HydrophobicContact CD-CD1 4.47Å; K42-I48 HydrophobicContact CG-CD1 3.98Å
43	K	86	Confident	90.8	Very high	138 Å²	138	40.4 Å²	40.4	60%	0.6	22%	0.215	S	C	*	.			trans	-95.3	-22.9	174.4	-73	-158.8	177.2	171.1	0	113.6	T45 G410 D412	K43-T45 PolarHBondContact O-N 3.16Å; K43-G410 PolarHBondContact N-O 2.96Å; K43-D412 HydrophobicContact CD-CB 4.13Å; K43-D412 WeakPolarHBondContact CE-OD2 3.49Å; K43-D412 HydrophobicContact CG-CB 4.21Å; K43-D412 IonicContact NZ-OD2 3.59Å; K43-D412 PolarHBondContact NZ-OD2 3.39Å
44	A	79.3	Confident	90.7	Very high	24 Å²	24	43.9 Å²	43.9	20%	0.198	23%	0.231	C	C	.	.	S	Bend	trans	-60.2	133.6	175.8	0	0	0	0	0	111.4	I48 G410	A44-I48 HydrophobicContact CB-CD1 4.12Å; A44-I48 HydrophobicContact CB-CG1 3.77Å; A44-G410 PolarHBondContact N-O 2.95Å; A44-G410 VanDerWaalsContact N-O 3.13Å
45	T	74.6	Confident	90.6	Very high	138 Å²	138	43.1 Å²	43.1	85%	0.847	23%	0.227	S	C	*	.	S	Bend	trans	-71.1	132.6	165.6	50	0	0	0	0	108.9	K43	K43-T45 PolarHBondContact O-N 3.16Å
46	G	79.2	Confident	90.5	Very high	53 Å²	53	47.3 Å²	47.3	55%	0.546	25%	0.246	S	C	.	.	S	Bend	trans	73.7	-164.9	-179.8	0	0	0	0	0	114.6	K42	K42-G46 WeakPolarHBondContact CE-O 3.39Å; K42-G46 PolarHBondContact NZ-O 2.83Å
47	L	81.2	Confident	90.5	Very high	65 Å²	65	47.6 Å²	47.6	34%	0.34	25%	0.248	S	C	.	.			trans	-74.4	140.9	-175.5	-163.3	73.5	0	0	0	111.7	E49 R101 K140 L142	L47-E49 HydrophobicContact CD2-CG 3.83Å; L47-E49 HydrophobicContact CG-CG 4.23Å; L47-R101 PolarHBondContact O-NH2 2.99Å; L47-K140 HydrophobicContact CD2-CB 3.98Å; L47-K140 HydrophobicContact CD2-CD 3.72Å; L47-K140 HydrophobicContact CD2-CG 3.97Å; L47-L142 HydrophobicContact CD1-CD2 3.37Å; L47-L142 HydrophobicContact CD1-CG 4Å
48	I	87.6	Confident	90.1	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111.6	169.3	-59.7	170.7	0	0	0	107.6	K42 A44 V50 I141 L411	K42-I48 HydrophobicContact CD-CD1 4.47Å; K42-I48 HydrophobicContact CG-CD1 3.98Å; A44-I48 HydrophobicContact CB-CD1 4.12Å; A44-I48 HydrophobicContact CB-CG1 3.77Å; I48-V50 HydrophobicContact CG2-CG1 4.32Å; I48-I141 HydrophobicContact CB-CB 4.19Å; I48-I141 HydrophobicContact CG2-CB 4.34Å; I48-I141 HydrophobicContact CG2-CD1 3.77Å; I48-I141 HydrophobicContact CG2-CG1 4.18Å; I48-I141 PolarHBondContact O-N 3.41Å; I48-L411 HydrophobicContact CD1-CD2 3.79Å; I48-L411 HydrophobicContact CD1-CG 4.46Å
49	E	90.4	Very high	89.8	Confident	71 Å²	71	52 Å²	52	33%	0.332	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.5	173.4	-58.7	-167.5	146.3	0	0	108.9	L47 R101 I138 K140	L47-E49 HydrophobicContact CD2-CG 3.83Å; L47-E49 HydrophobicContact CG-CG 4.23Å; E49-R101 VanDerWaalsContact O-CD 3.31Å; E49-R101 WeakPolarHBondContact O-CD 3.33Å; E49-R101 PolarHBondContact O-NH1 3.42Å; E49-I138 HydrophobicContact CB-CG2 4.38Å; E49-K140 HydrophobicContact CG-CG 4.12Å; E49-K140 WeakPolarHBondContact OE1-CD 3.29Å; E49-K140 WeakPolarHBondContact OE1-CE 3.13Å; E49-K140 IonicContact OE1-NZ 3Å; E49-K140 PolarHBondContact OE1-NZ 3.09Å
50	V	93.6	Very high	89.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.9	177	-61.2	0	0	0	0	109.1	I48 F99 S100 I138 V139 I141 V163 F409	I48-V50 HydrophobicContact CG2-CG1 4.32Å; V50-F99 HydrophobicContact CB-CB 4.34Å; V50-F99 HydrophobicContact CG2-CB 4.2Å; V50-F99 HydrophobicContact CG2-CD1 3.88Å; V50-F99 HydrophobicContact CG2-CG 4.42Å; V50-S100 CarbonylContact C-O 3.59Å; V50-S100 WeakPolarHBondContact CA-O 3.29Å; V50-I138 WeakPolarHBondContact O-CA 3.49Å; V50-V139 HydrophobicContact CG2-CB 3.88Å; V50-V139 PolarHBondContact N-O 3.01Å; V50-V139 PolarHBondContact O-N 3.37Å; V50-I141 HydrophobicContact CG1-CD1 4.11Å; V50-V163 HydrophobicContact CG2-CG1 4.09Å; V50-F409 HydrophobicContact CG1-CD1 3.89Å; V50-F409 HydrophobicContact CG1-CE1 3.7Å
51	V	94.5	Very high	89.2	Confident	15 Å²	15	61.2 Å²	61.2	9%	0.091	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	128.9	175.1	-171	0	0	0	0	108.3	Y53 F99 S100 A103 K135	V51-Y53 HydrophobicContact CB-CE2 3.68Å; V51-Y53 HydrophobicContact CG1-CD2 4.32Å; V51-Y53 HydrophobicContact CG1-CE1 4.31Å; V51-Y53 HydrophobicContact CG1-CE2 3.53Å; V51-Y53 WeakPolarHBondContact CG1-OH 3.47Å; V51-F99 CarbonylContact O-C 3.6Å; V51-F99 WeakPolarHBondContact O-CA 3.35Å; V51-S100 PolarHBondContact N-O 3.22Å; V51-S100 PolarHBondContact O-N 2.91Å; V51-A103 HydrophobicContact CG2-CB 4.1Å; V51-K135 HydrophobicContact CG1-CD 4.17Å; V51-K135 HydrophobicContact CG1-CG 3.88Å
52	Q	94.9	Very high	89	Confident	41 Å²	41	58 Å²	58	19%	0.192	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.2	178.5	-172.1	-175.6	-67.6	0	0	110.2	L97 F99 S136 G137 V139	Q52-L97 HydrophobicContact CG-CD2 4.3Å; Q52-F99 HydrophobicContact CB-CD1 4.01Å; Q52-F99 HydrophobicContact CB-CE1 3.86Å; Q52-F99 HydrophobicContact CG-CD1 4.04Å; Q52-F99 HydrophobicContact CG-CE1 3.52Å; Q52-F99 HydrophobicContact CG-CZ 4.06Å; Q52-S136 WeakPolarHBondContact CG-OG 3.08Å; Q52-S136 PolarHBondContact NE2-OG 2.82Å; Q52-S136 PolarHBondContact O-N 2.87Å; Q52-S136 PolarHBondContact O-OG 2.95Å; Q52-G137 PolarHBondContact N-O 3.22Å; Q52-G137 PolarHBondContact O-N 3.02Å; Q52-V139 HydrophobicContact CB-CG2 4.48Å
53	Y	96.1	Very high	88.9	Confident	1 Å²	1	63.7 Å²	63.7	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.5	175.8	-60.4	-93	0	0	0	110.1	V51 V98 L104 I106 I133 K134 K135	V51-Y53 HydrophobicContact CB-CE2 3.68Å; V51-Y53 HydrophobicContact CG1-CD2 4.32Å; V51-Y53 HydrophobicContact CG1-CE1 4.31Å; V51-Y53 HydrophobicContact CG1-CE2 3.53Å; V51-Y53 WeakPolarHBondContact CG1-OH 3.47Å; Y53-V98 PolarHBondContact N-O 3.31Å; Y53-V98 PolarHBondContact O-N 3.44Å; Y53-L104 HydrophobicContact CD1-CD1 4.31Å; Y53-L104 HydrophobicContact CD2-CD1 4.19Å; Y53-L104 HydrophobicContact CE1-CB 4.1Å; Y53-L104 HydrophobicContact CE1-CD1 4.12Å; Y53-L104 HydrophobicContact CE1-CG 4.36Å; Y53-L104 HydrophobicContact CE2-CB 4.46Å; Y53-L104 HydrophobicContact CE2-CD1 3.98Å; Y53-L104 HydrophobicContact CE2-CG 3.99Å; Y53-L104 HydrophobicContact CG-CD1 4.36Å; Y53-L104 PolarHBondContact OH-N 2.73Å; Y53-I106 HydrophobicContact CD1-CD1 4.43Å; Y53-I106 HydrophobicContact CE1-CB 4.42Å; Y53-I106 HydrophobicContact CE1-CD1 4.28Å; Y53-I133 HydrophobicContact CD1-CG2 3.97Å; Y53-I133 HydrophobicContact CG-CG2 4.19Å; Y53-K134 CarbonylContact C-O 3.52Å; Y53-K134 VanDerWaalsContact CA-O 3.26Å; Y53-K134 WeakPolarHBondContact CA-O 3.33Å; Y53-K135 HydrophobicContact CD1-CB 4.07Å; Y53-K135 HydrophobicContact CE1-CB 3.89Å; Y53-K135 HydrophobicContact CE1-CG 4.18Å
54	H	96.1	Very high	89.1	Confident	73 Å²	73	58.2 Å²	58.2	34%	0.338	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.2	166.6	-170.9	64.7	0	0	0	108.9	T96 I133 K134	H54-T96 WeakPolarHBondContact CA-O 3.38Å; H54-T96 PolarHBondContact ND1-O 3.02Å; H54-I133 WeakPolarHBondContact O-CA 3.39Å; H54-K134 PolarHBondContact N-O 3.23Å; H54-K134 PolarHBondContact O-N 3.48Å
55	V	96.5	Very high	89.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123	-179.2	-177.2	0	0	0	0	109.6	I57 F73 Y92 T96 V98 V131 R132 I133	V55-I57 HydrophobicContact CG1-CD1 4.1Å; V55-I57 HydrophobicContact CG1-CG1 3.75Å; V55-F73 HydrophobicContact CG1-CD2 4.3Å; V55-F73 HydrophobicContact CG2-CE2 4.35Å; V55-Y92 HydrophobicContact CB-CE2 4.4Å; V55-T96 PolarHBondContact N-O 2.93Å; V55-T96 WeakPolarHBondContact O-CA 3.37Å; V55-V98 HydrophobicContact CB-CG2 4.48Å; V55-V98 HydrophobicContact CG2-CB 4Å; V55-V98 HydrophobicContact CG2-CG2 3.4Å; V55-V98 VanDerWaalsContact CG2-CG2 3.4Å; V55-V131 HydrophobicContact CG1-CG1 4.01Å; V55-R132 CarbonylContact C-O 3.55Å; V55-R132 WeakPolarHBondContact CA-O 3.39Å; V55-I133 HydrophobicContact CG1-CG1 4.24Å; V55-I133 HydrophobicContact CG2-CG1 4.07Å; V55-I133 HydrophobicContact CG2-CG2 4.19Å
56	E	97.1	Very high	90.2	Very high	87 Å²	87	57.5 Å²	57.5	41%	0.407	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.5	170	-73.2	-170.7	135.4	0	0	109.9	V131 R132	E56-V131 WeakPolarHBondContact O-CA 3.44Å; E56-R132 HydrophobicContact CB-CB 4.48Å; E56-R132 PolarHBondContact N-O 2.93Å; E56-R132 PolarHBondContact O-N 3.38Å; E56-R132 IonicContact OE2-CZ 2.61Å; E56-R132 IonicContact OE2-NE 3.74Å; E56-R132 IonicContact OE2-NH1 2.91Å; E56-R132 IonicContact OE2-NH2 3.16Å; E56-R132 PolarHBondContact OE2-NH2 2.9Å
57	I	96.2	Very high	90.7	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109.6	172.6	-50.5	-173.4	0	0	0	107.8	V55 L64 K69 V72 F73 Y92 I129 V131	V55-I57 HydrophobicContact CG1-CD1 4.1Å; V55-I57 HydrophobicContact CG1-CG1 3.75Å; I57-L64 HydrophobicContact CG2-CD1 3.79Å; I57-K69 HydrophobicContact CB-CG 4.16Å; I57-K69 HydrophobicContact CD1-CB 4.29Å; I57-K69 WeakPolarHBondContact CD1-O 3.35Å; I57-K69 HydrophobicContact CG2-CG 4.28Å; I57-K69 WeakPolarHBondContact O-CE 3.38Å; I57-V72 HydrophobicContact CD1-CB 4.48Å; I57-V72 HydrophobicContact CD1-CG1 4.26Å; I57-V72 HydrophobicContact CG2-CB 4.2Å; I57-V72 HydrophobicContact CG2-CG1 3.78Å; I57-F73 HydrophobicContact CD1-CB 3.94Å; I57-Y92 HydrophobicContact CD1-CE1 4.28Å; I57-Y92 WeakPolarHBondContact CD1-OH 3.21Å; I57-I129 HydrophobicContact CG2-CG2 3.59Å; I57-V131 HydrophobicContact CD1-CG1 4.48Å; I57-V131 HydrophobicContact CD1-CG2 4.44Å; I57-V131 HydrophobicContact CG1-CG1 4.1Å; I57-V131 HydrophobicContact CG1-CG2 4.2Å; I57-V131 HydrophobicContact CG2-CG2 4.36Å
58	A	91.3	Very high	91.1	Very high	70 Å²	70	55.9 Å²	55.9	58%	0.579	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.2	-176.9	0	0	0	0	0	111.4
59	S	89.4	Confident	91.4	Very high	25 Å²	25	57.1 Å²	57.1	18%	0.175	28%	0.276	C	S	.	.			trans	-135.5	133.3	169.5	176.8	0	0	0	0	108.3	K61 V62	S59-K61 VanDerWaalsContact C-N 3.28Å; S59-K61 PolarHBondContact OG-N 3.4Å; S59-V62 PolarHBondContact OG-N 3.36Å
60	D	87.4	Confident	91.6	Very high	147 Å²	147	55.1 Å²	55.1	79%	0.786	27%	0.265	S	S	*	.	S	Bend	trans	-66.4	-29.9	169.7	60	-26.2	0	0	0	112.3
61	K	85.1	Confident	91.5	Very high	132 Å²	132	57.9 Å²	57.9	57%	0.574	28%	0.282	S	S	*	.	S	Bend	trans	-83.9	-36.3	-174.1	-69.5	166.1	-169.9	174.8	0	113.7	S59 I127	S59-K61 VanDerWaalsContact C-N 3.28Å; S59-K61 PolarHBondContact OG-N 3.4Å; K61-I127 HydrophobicContact CD-CG2 4.19Å
62	V	85	Confident	91.6	Very high	28 Å²	28	57.1 Å²	57.1	17%	0.17	28%	0.278	C	S	.	.	S	Bend	trans	-147.3	143.3	-173.6	-63.3	0	0	0	0	112.6	S59 L64 V120 I127	S59-V62 PolarHBondContact OG-N 3.36Å; V62-L64 HydrophobicContact CG2-CD2 4.05Å; V62-L64 PolarHBondContact O-N 2.62Å; V62-V120 HydrophobicContact CG2-CG2 3.84Å; V62-I127 HydrophobicContact CG2-CD1 3.19Å
63	R	86.2	Confident	91.6	Very high	219 Å²	219	55.2 Å²	55.2	83%	0.826	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-71.6	123.3	169.9	-172.7	175.4	179.7	175.1	2.8	110.2	R122	R63-R122 PolarHBondContact O-NH1 3.41Å
64	L	90	Very high	91.6	Very high	23 Å²	23	55.2 Å²	55.2	12%	0.12	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-85	142.8	177.4	-56.8	176.8	0	0	0	111.4	I57 V62 D68 K69 V120 I129	I57-L64 HydrophobicContact CG2-CD1 3.79Å; V62-L64 HydrophobicContact CG2-CD2 4.05Å; V62-L64 PolarHBondContact O-N 2.62Å; L64-D68 HydrophobicContact CB-CB 4.15Å; L64-D68 HydrophobicContact CD2-CB 4.07Å; L64-K69 HydrophobicContact CB-CG 4.11Å; L64-K69 HydrophobicContact CD1-CG 4.41Å; L64-V120 HydrophobicContact CD2-CG1 3.87Å; L64-I129 HydrophobicContact CD1-CD1 4.06Å; L64-I129 HydrophobicContact CD1-CG2 4.08Å; L64-I129 HydrophobicContact CD2-CD1 3.74Å
65	T	87.9	Confident	91.6	Very high	34 Å²	34	54.9 Å²	54.9	21%	0.209	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-84	166.5	163.1	63.7	0	0	0	0	111.1	E67 D68 K69 R122	T65-E67 PolarHBondContact O-N 3.13Å; T65-E67 PolarHBondContact OG1-N 2.79Å; T65-D68 WeakPolarHBondContact CB-OD2 3.4Å; T65-D68 PolarHBondContact N-OD2 3.03Å; T65-D68 WeakPolarHBondContact O-CB 3.5Å; T65-D68 PolarHBondContact O-N 2.81Å; T65-D68 VanDerWaalsContact O-N 3.16Å; T65-D68 PolarHBondContact OG1-N 3.27Å; T65-D68 VanDerWaalsContact OG1-N 3.09Å; T65-D68 PolarHBondContact OG1-OD2 3.22Å; T65-K69 WeakPolarHBondContact O-CG 3.35Å; T65-K69 PolarHBondContact O-N 3.12Å; T65-R122 VanDerWaalsContact CG2-CZ 3.44Å
66	R	89.3	Confident	91.6	Very high	113 Å²	113	55 Å²	55	43%	0.426	27%	0.267	S	S	.	.	H	α-helix	trans	-54.9	-34.2	169.9	-162.3	176	-178.3	169.3	1.3	112.8	R70 D93 G94	R66-R70 WeakPolarHBondContact O-CG 3.46Å; R66-R70 PolarHBondContact O-N 3.42Å; R66-D93 PolarHBondContact NE-O 3.49Å; R66-D93 PolarHBondContact NH2-O 3Å; R66-G94 VanDerWaalsContact CG-O 3.27Å; R66-G94 WeakPolarHBondContact CG-O 3.36Å
67	E	88.3	Confident	91.6	Very high	72 Å²	72	51 Å²	51	34%	0.336	25%	0.249	S	C	.	.	H	α-helix	trans	-75.8	-37.8	178	-165.1	168.9	-161.7	0	0	112.2	T65 R70 T71 F184	T65-E67 PolarHBondContact O-N 3.13Å; T65-E67 PolarHBondContact OG1-N 2.79Å; E67-R70 PolarHBondContact O-N 2.93Å; E67-T71 PolarHBondContact O-N 2.98Å; E67-T71 PolarHBondContact O-OG1 3.02Å; E67-F184 WeakPolarHBondContact OE2-CE2 3.38Å
68	D	90.4	Very high	91.6	Very high	13 Å²	13	58.4 Å²	58.4	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-48.4	171	-59.1	-54.6	0	0	0	109.9	L64 T65 R70 T71 V72 V120	L64-D68 HydrophobicContact CB-CB 4.15Å; L64-D68 HydrophobicContact CD2-CB 4.07Å; T65-D68 WeakPolarHBondContact CB-OD2 3.4Å; T65-D68 PolarHBondContact N-OD2 3.03Å; T65-D68 WeakPolarHBondContact O-CB 3.5Å; T65-D68 PolarHBondContact O-N 2.81Å; T65-D68 VanDerWaalsContact O-N 3.16Å; T65-D68 PolarHBondContact OG1-N 3.27Å; T65-D68 VanDerWaalsContact OG1-N 3.09Å; T65-D68 PolarHBondContact OG1-OD2 3.22Å; D68-R70 PolarHBondContact O-N 3.39Å; D68-T71 PolarHBondContact O-N 3.43Å; D68-T71 VanDerWaalsContact O-N 3.12Å; D68-V72 VanDerWaalsContact O-CG2 3.32Å; D68-V72 WeakPolarHBondContact O-CG2 3.42Å; D68-V72 PolarHBondContact O-N 3.49Å; D68-V120 HydrophobicContact CB-CG1 4.36Å
69	K	94.5	Very high	91.8	Very high	28 Å²	28	60.1 Å²	60.1	12%	0.122	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-44	177.1	-74	-174.8	171.8	-169.2	0	112.6	I57 L64 T65 T71 V72 F73 G94 E95	I57-K69 HydrophobicContact CB-CG 4.16Å; I57-K69 HydrophobicContact CD1-CB 4.29Å; I57-K69 WeakPolarHBondContact CD1-O 3.35Å; I57-K69 HydrophobicContact CG2-CG 4.28Å; I57-K69 WeakPolarHBondContact O-CE 3.38Å; L64-K69 HydrophobicContact CB-CG 4.11Å; L64-K69 HydrophobicContact CD1-CG 4.41Å; T65-K69 WeakPolarHBondContact O-CG 3.35Å; T65-K69 PolarHBondContact O-N 3.12Å; K69-T71 VanDerWaalsContact C-N 3.34Å; K69-T71 PolarHBondContact O-N 2.8Å; K69-V72 PolarHBondContact O-N 3.09Å; K69-F73 WeakPolarHBondContact O-CB 3.05Å; K69-F73 PolarHBondContact O-N 2.75Å; K69-G94 VanDerWaalsContact CB-O 3.24Å; K69-G94 WeakPolarHBondContact CB-O 3.44Å; K69-G94 WeakPolarHBondContact CD-O 3.31Å; K69-E95 PolarHBondContact NZ-O 3.4Å; K69-E95 IonicContact NZ-OE1 3.54Å; K69-E95 PolarHBondContact NZ-OE1 2.94Å
70	R	93.8	Very high	92.1	Very high	30 Å²	30	60.8 Å²	60.8	11%	0.113	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-44.4	173.9	-76.9	178.7	-179.4	156.1	0.5	112	R66 E67 D68 F73 W74 Y92 D93 G94	R66-R70 WeakPolarHBondContact O-CG 3.46Å; R66-R70 PolarHBondContact O-N 3.42Å; E67-R70 PolarHBondContact O-N 2.93Å; D68-R70 PolarHBondContact O-N 3.39Å; R70-F73 PolarHBondContact O-N 2.84Å; R70-W74 PolarHBondContact O-N 3.5Å; R70-Y92 HydrophobicContact CG-CD1 4.28Å; R70-Y92 HydrophobicContact CG-CE1 4.35Å; R70-D93 PolarHBondContact NH2-O 3.21Å; R70-G94 VanDerWaalsContact CG-CA 3.47Å
71	T	92.1	Very high	92.4	Very high	57 Å²	57	57.7 Å²	57.7	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-42.4	-178.8	-49.8	0	0	0	0	111	E67 D68 K69 K75 I118	E67-T71 PolarHBondContact O-N 2.98Å; E67-T71 PolarHBondContact O-OG1 3.02Å; D68-T71 PolarHBondContact O-N 3.43Å; D68-T71 VanDerWaalsContact O-N 3.12Å; K69-T71 VanDerWaalsContact C-N 3.34Å; K69-T71 PolarHBondContact O-N 2.8Å; T71-K75 WeakPolarHBondContact O-CB 3.11Å; T71-K75 PolarHBondContact O-N 3.46Å; T71-I118 HydrophobicContact CG2-CD1 3.4Å; T71-I118 VanDerWaalsContact CG2-CD1 3.4Å
72	V	95.2	Very high	92.8	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-52.3	173.9	171	0	0	0	0	111	I57 D68 K69 W74 K75 L76 V116 I118 I129 V131	I57-V72 HydrophobicContact CD1-CB 4.48Å; I57-V72 HydrophobicContact CD1-CG1 4.26Å; I57-V72 HydrophobicContact CG2-CB 4.2Å; I57-V72 HydrophobicContact CG2-CG1 3.78Å; D68-V72 VanDerWaalsContact O-CG2 3.32Å; D68-V72 WeakPolarHBondContact O-CG2 3.42Å; D68-V72 PolarHBondContact O-N 3.49Å; K69-V72 PolarHBondContact O-N 3.09Å; V72-W74 PolarHBondContact O-N 3.49Å; V72-K75 PolarHBondContact O-N 3.18Å; V72-L76 PolarHBondContact O-N 3.34Å; V72-V116 HydrophobicContact CG1-CB 4.23Å; V72-V116 HydrophobicContact CG1-CG2 4.39Å; V72-I118 HydrophobicContact CG2-CD1 4.46Å; V72-I118 HydrophobicContact CG2-CG2 3.82Å; V72-I129 HydrophobicContact CG1-CB 4.4Å; V72-I129 HydrophobicContact CG1-CG2 3.98Å; V72-I129 HydrophobicContact CG2-CB 4.45Å; V72-I129 HydrophobicContact CG2-CD1 3.6Å; V72-I129 HydrophobicContact CG2-CG2 4.3Å; V72-V131 HydrophobicContact CG1-CG2 3.54Å
73	F	96.8	Very high	93.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-50.8	-177.7	-180	-98.8	0	0	0	112.3	V55 I57 K69 R70 K75 L76 V77 M90 Y92 V98 I133	V55-F73 HydrophobicContact CG1-CD2 4.3Å; V55-F73 HydrophobicContact CG2-CE2 4.35Å; I57-F73 HydrophobicContact CD1-CB 3.94Å; K69-F73 WeakPolarHBondContact O-CB 3.05Å; K69-F73 PolarHBondContact O-N 2.75Å; R70-F73 PolarHBondContact O-N 2.84Å; F73-K75 VanDerWaalsContact C-N 3.27Å; F73-K75 PolarHBondContact O-N 3.11Å; F73-L76 WeakPolarHBondContact O-CB 3.27Å; F73-L76 PolarHBondContact O-N 2.8Å; F73-V77 HydrophobicContact CD1-CG2 4.22Å; F73-V77 HydrophobicContact CE1-CG2 3.84Å; F73-V77 HydrophobicContact CE2-CG2 4.49Å; F73-V77 HydrophobicContact CZ-CG2 3.99Å; F73-V77 WeakPolarHBondContact O-CG2 3.46Å; F73-V77 PolarHBondContact O-N 3.28Å; F73-M90 HydrophobicContact CE1-CE 3.8Å; F73-M90 HydrophobicContact CE2-CE 4.46Å; F73-M90 HydrophobicContact CZ-CE 3.37Å; F73-Y92 HydrophobicContact CB-CD1 3.58Å; F73-Y92 HydrophobicContact CB-CE1 3.41Å; F73-Y92 VanDerWaalsContact CB-CE1 3.41Å; F73-Y92 AromaticContact CD1-CD1 3.44Å; F73-Y92 HydrophobicContact CD1-CD1 3.44Å; F73-Y92 VanDerWaalsContact CD1-CD1 3.44Å; F73-Y92 HydrophobicContact CD1-CE1 4.17Å; F73-Y92 AromaticContact CD1-CG 3.78Å; F73-Y92 HydrophobicContact CD1-CG 3.78Å; F73-Y92 HydrophobicContact CD2-CD1 4.26Å; F73-Y92 HydrophobicContact CD2-CE1 4.32Å; F73-Y92 HydrophobicContact CD2-CG 4.48Å; F73-Y92 HydrophobicContact CE1-CD1 4.18Å; F73-Y92 HydrophobicContact CE1-CG 4.04Å; F73-Y92 AromaticContact CG-CD1 3.48Å; F73-Y92 HydrophobicContact CG-CD1 3.48Å; F73-Y92 VanDerWaalsContact CG-CD1 3.48Å; F73-Y92 AromaticContact CG-CE1 3.71Å; F73-Y92 HydrophobicContact CG-CE1 3.71Å; F73-Y92 HydrophobicContact CG-CG 4.01Å; F73-Y92 HydrophobicContact CZ-CG 4.48Å; F73-V98 HydrophobicContact CD2-CG2 4.44Å; F73-V98 HydrophobicContact CE1-CG2 4.24Å; F73-V98 HydrophobicContact CE2-CG2 3.61Å; F73-V98 HydrophobicContact CZ-CB 4.44Å; F73-V98 HydrophobicContact CZ-CG1 4.1Å; F73-V98 HydrophobicContact CZ-CG2 3.46Å; F73-V98 VanDerWaalsContact CZ-CG2 3.46Å; F73-I133 HydrophobicContact CE2-CD1 4.13Å
74	W	96	Very high	93.7	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-71	-25.1	-178.4	-71.2	118.6	0	0	0	113.1	R70 V72 V77 K78 P87 M90 C174 S175 L176 F405	R70-W74 PolarHBondContact O-N 3.5Å; V72-W74 PolarHBondContact O-N 3.49Å; W74-V77 HydrophobicContact CE3-CB 4.1Å; W74-V77 HydrophobicContact CE3-CG1 4.03Å; W74-V77 HydrophobicContact CE3-CG2 4.15Å; W74-V77 HydrophobicContact CZ3-CG1 4.14Å; W74-V77 HydrophobicContact CZ3-CG2 4.41Å; W74-K78 PolarHBondContact O-N 3.24Å; W74-K78 VanDerWaalsContact O-N 3.09Å; W74-P87 HydrophobicContact CZ3-CB 4.38Å; W74-M90 HydrophobicContact CH2-CB 4.35Å; W74-C174 HydrophobicContact CD2-CB 4.26Å; W74-C174 HydrophobicContact CZ2-CB 4.07Å; W74-S175 WeakPolarHBondContact CB-OG 3.49Å; W74-L176 HydrophobicContact CE3-CD1 3.68Å; W74-L176 HydrophobicContact CE3-CG 4.15Å; W74-L176 HydrophobicContact CZ3-CD1 4.04Å; W74-F405 AromaticContact CH2-CE1 3.76Å; W74-F405 HydrophobicContact CH2-CE1 3.76Å; W74-F405 HydrophobicContact CH2-CZ 4.09Å; W74-F405 HydrophobicContact CZ2-CE1 4.26Å; W74-F405 HydrophobicContact CZ2-CZ 4.38Å
75	K	95.5	Very high	93.8	Very high	67 Å²	67	53.4 Å²	53.4	29%	0.291	27%	0.269	S	S	.	.	H	α-helix	trans	-68.8	-44.7	170	-177.8	168.9	175.8	178.1	0	111.4	T71 V72 F73 V77 K78 E79 V116 K117	T71-K75 WeakPolarHBondContact O-CB 3.11Å; T71-K75 PolarHBondContact O-N 3.46Å; V72-K75 PolarHBondContact O-N 3.18Å; F73-K75 VanDerWaalsContact C-N 3.27Å; F73-K75 PolarHBondContact O-N 3.11Å; K75-V77 VanDerWaalsContact C-N 3.32Å; K75-V77 PolarHBondContact O-N 3.06Å; K75-K78 WeakPolarHBondContact O-CB 3.22Å; K75-K78 PolarHBondContact O-N 3.37Å; K75-K78 VanDerWaalsContact O-N 3.17Å; K75-E79 VanDerWaalsContact CE-CD 3.47Å; K75-E79 WeakPolarHBondContact CE-OE1 3.49Å; K75-E79 HydrophobicContact CG-CG 4.42Å; K75-E79 IonicContact NZ-OE1 3.59Å; K75-E79 WeakPolarHBondContact O-CB 3.31Å; K75-E79 WeakPolarHBondContact O-CG 3.45Å; K75-E79 PolarHBondContact O-N 2.79Å; K75-V116 HydrophobicContact CB-CG1 3.99Å; K75-V116 HydrophobicContact CD-CG1 3.49Å; K75-V116 VanDerWaalsContact CD-CG1 3.49Å; K75-V116 HydrophobicContact CG-CG1 3.64Å; K75-K117 PolarHBondContact NZ-O 3.39Å
76	L	96.8	Very high	94.1	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-55.4	-48	172.9	177.9	66.6	0	0	0	111.5	V72 F73 K78 E79 T80 F84 F112 V116 V131 I133	V72-L76 PolarHBondContact O-N 3.34Å; F73-L76 WeakPolarHBondContact O-CB 3.27Å; F73-L76 PolarHBondContact O-N 2.8Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 2.92Å; L76-E79 PolarHBondContact O-N 3.24Å; L76-E79 VanDerWaalsContact O-N 3.16Å; L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 PolarHBondContact O-N 3Å; L76-T80 PolarHBondContact O-OG1 3.28Å; L76-F84 HydrophobicContact CD2-CE2 4.31Å; L76-F84 HydrophobicContact CD2-CZ 4.25Å; L76-F84 HydrophobicContact CG-CE2 3.99Å; L76-F84 HydrophobicContact CG-CZ 4.42Å; L76-F112 HydrophobicContact CD1-CE1 4.31Å; L76-F112 HydrophobicContact CD2-CE1 4.08Å; L76-V116 HydrophobicContact CB-CG2 3.55Å; L76-V116 HydrophobicContact CD1-CG2 3.93Å; L76-V116 HydrophobicContact CG-CG2 4.31Å; L76-V131 HydrophobicContact CD2-CB 3.79Å; L76-V131 HydrophobicContact CD2-CG1 3.59Å; L76-V131 HydrophobicContact CD2-CG2 4.14Å; L76-I133 HydrophobicContact CD2-CD1 4.32Å
77	V	96.7	Very high	94.4	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-56.7	-44.6	177.7	167.9	0	0	0	0	111	F73 W74 K75 F84 P87 M90 L176	F73-V77 HydrophobicContact CD1-CG2 4.22Å; F73-V77 HydrophobicContact CE1-CG2 3.84Å; F73-V77 HydrophobicContact CE2-CG2 4.49Å; F73-V77 HydrophobicContact CZ-CG2 3.99Å; F73-V77 WeakPolarHBondContact O-CG2 3.46Å; F73-V77 PolarHBondContact O-N 3.28Å; W74-V77 HydrophobicContact CE3-CB 4.1Å; W74-V77 HydrophobicContact CE3-CG1 4.03Å; W74-V77 HydrophobicContact CE3-CG2 4.15Å; W74-V77 HydrophobicContact CZ3-CG1 4.14Å; W74-V77 HydrophobicContact CZ3-CG2 4.41Å; K75-V77 VanDerWaalsContact C-N 3.32Å; K75-V77 PolarHBondContact O-N 3.06Å; V77-F84 HydrophobicContact CB-CB 4.32Å; V77-F84 HydrophobicContact CB-CD2 4.38Å; V77-F84 HydrophobicContact CB-CG 4.3Å; V77-F84 HydrophobicContact CG1-CB 3.82Å; V77-F84 HydrophobicContact CG1-CG 4.31Å; V77-F84 HydrophobicContact CG2-CB 4.32Å; V77-F84 HydrophobicContact CG2-CD1 4.06Å; V77-F84 HydrophobicContact CG2-CD2 4.19Å; V77-F84 HydrophobicContact CG2-CE1 4.43Å; V77-F84 HydrophobicContact CG2-CG 3.93Å; V77-P87 HydrophobicContact CG1-CB 3.62Å; V77-M90 HydrophobicContact CG2-CE 3.82Å; V77-L176 HydrophobicContact CG1-CD1 4.01Å
78	K	95.5	Very high	94.8	Very high	161 Å²	161	51.2 Å²	51.2	70%	0.7	26%	0.261	S	S	*	.	H	α-helix	trans	-64.4	-40.3	176.7	-166.3	178.3	175.7	-179.4	0	113	W74 K75 L76 L176	W74-K78 PolarHBondContact O-N 3.24Å; W74-K78 VanDerWaalsContact O-N 3.09Å; K75-K78 WeakPolarHBondContact O-CB 3.22Å; K75-K78 PolarHBondContact O-N 3.37Å; K75-K78 VanDerWaalsContact O-N 3.17Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 2.92Å; K78-L176 HydrophobicContact CB-CD2 3.85Å; K78-L176 HydrophobicContact CD-CD2 4.17Å; K78-L176 HydrophobicContact CG-CD2 4.12Å
79	E	95.9	Very high	95.1	Very high	106 Å²	106	50.8 Å²	50.8	50%	0.495	26%	0.259	S	S	.	.	H	α-helix	trans	-81.2	-15.3	-174.6	-70.8	176.3	164.7	0	0	112.9	K75 L76 P81	K75-E79 VanDerWaalsContact CE-CD 3.47Å; K75-E79 WeakPolarHBondContact CE-OE1 3.49Å; K75-E79 HydrophobicContact CG-CG 4.42Å; K75-E79 IonicContact NZ-OE1 3.59Å; K75-E79 WeakPolarHBondContact O-CB 3.31Å; K75-E79 WeakPolarHBondContact O-CG 3.45Å; K75-E79 PolarHBondContact O-N 2.79Å; L76-E79 PolarHBondContact O-N 3.24Å; L76-E79 VanDerWaalsContact O-N 3.16Å; E79-P81 WeakPolarHBondContact O-CD 3.41Å
80	T	95.6	Very high	95.2	Very high	39 Å²	39	49.5 Å²	49.5	24%	0.239	25%	0.254	C	S	.	.			trans	-126	58	-175.5	-33	0	0	0	0	113	L76 K82 V83 F84 F112	L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 PolarHBondContact O-N 3Å; L76-T80 PolarHBondContact O-OG1 3.28Å; T80-K82 PolarHBondContact O-N 2.97Å; T80-K82 VanDerWaalsContact O-N 3.12Å; T80-V83 HydrophobicContact CG2-CB 4.13Å; T80-V83 HydrophobicContact CG2-CG2 3.85Å; T80-V83 PolarHBondContact O-N 3.09Å; T80-V83 VanDerWaalsContact O-N 3.07Å; T80-F84 WeakPolarHBondContact O-CD2 3.16Å; T80-F84 PolarHBondContact O-N 3.17Å; T80-F84 VanDerWaalsContact O-N 3.15Å; T80-F112 HydrophobicContact CG2-CZ 4.27Å
81	P	94.9	Very high	95.3	Very high	82 Å²	82	48 Å²	48	53%	0.532	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.6	-172	26.4	-36	0	0	0	114.3	E79 V83 F84 A85	E79-P81 WeakPolarHBondContact O-CD 3.41Å; P81-V83 VanDerWaalsContact C-N 3.27Å; P81-V83 PolarHBondContact O-N 2.88Å; P81-F84 CarbonylContact O-C 3.47Å; P81-A85 VanDerWaalsContact O-CA 3.3Å; P81-A85 WeakPolarHBondContact O-CA 3.43Å; P81-A85 PolarHBondContact O-N 3.39Å
82	K	92.8	Very high	95.5	Very high	201 Å²	201	45.3 Å²	45.3	87%	0.874	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-32.7	175.4	-67.9	-175.4	179	-179.4	0	112.7	T80	T80-K82 PolarHBondContact O-N 2.97Å; T80-K82 VanDerWaalsContact O-N 3.12Å
83	V	94	Very high	95.3	Very high	26 Å²	26	46.3 Å²	46.3	16%	0.158	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-40.9	178.9	178	0	0	0	0	110.3	T80 P81 P105 F112	T80-V83 HydrophobicContact CG2-CB 4.13Å; T80-V83 HydrophobicContact CG2-CG2 3.85Å; T80-V83 PolarHBondContact O-N 3.09Å; T80-V83 VanDerWaalsContact O-N 3.07Å; P81-V83 VanDerWaalsContact C-N 3.27Å; P81-V83 PolarHBondContact O-N 2.88Å; V83-P105 HydrophobicContact CB-CG 4.45Å; V83-P105 HydrophobicContact CG1-CG 4.18Å; V83-P105 WeakPolarHBondContact O-CD 3.46Å; V83-F112 HydrophobicContact CB-CE2 4.4Å; V83-F112 HydrophobicContact CG1-CD2 4.2Å; V83-F112 HydrophobicContact CG1-CE2 4.18Å; V83-F112 HydrophobicContact CG2-CD2 4.3Å; V83-F112 HydrophobicContact CG2-CE2 3.78Å; V83-F112 HydrophobicContact CG2-CZ 4.5Å
84	F	95.3	Very high	95.1	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.018	24%	0.237	C	C	.	.			trans	-108.5	58.8	-176.1	-49.7	-76.8	0	0	0	111.6	L76 V77 T80 P81 K86 M90 L104 F112 I133	L76-F84 HydrophobicContact CD2-CE2 4.31Å; L76-F84 HydrophobicContact CD2-CZ 4.25Å; L76-F84 HydrophobicContact CG-CE2 3.99Å; L76-F84 HydrophobicContact CG-CZ 4.42Å; V77-F84 HydrophobicContact CB-CB 4.32Å; V77-F84 HydrophobicContact CB-CD2 4.38Å; V77-F84 HydrophobicContact CB-CG 4.3Å; V77-F84 HydrophobicContact CG1-CB 3.82Å; V77-F84 HydrophobicContact CG1-CG 4.31Å; V77-F84 HydrophobicContact CG2-CB 4.32Å; V77-F84 HydrophobicContact CG2-CD1 4.06Å; V77-F84 HydrophobicContact CG2-CD2 4.19Å; V77-F84 HydrophobicContact CG2-CE1 4.43Å; V77-F84 HydrophobicContact CG2-CG 3.93Å; T80-F84 WeakPolarHBondContact O-CD2 3.16Å; T80-F84 PolarHBondContact O-N 3.17Å; T80-F84 VanDerWaalsContact O-N 3.15Å; P81-F84 CarbonylContact O-C 3.47Å; F84-K86 VanDerWaalsContact C-N 3.27Å; F84-K86 PolarHBondContact O-N 3.44Å; F84-M90 HydrophobicContact CB-SD 4.27Å; F84-M90 HydrophobicContact CD1-CE 3.77Å; F84-M90 HydrophobicContact CD1-SD 3.84Å; F84-M90 HydrophobicContact CE1-CE 4.26Å; F84-L104 HydrophobicContact CD1-CD1 4.2Å; F84-L104 HydrophobicContact CD1-CD2 3.87Å; F84-L104 HydrophobicContact CE1-CD1 3.93Å; F84-L104 HydrophobicContact CE1-CD2 4.41Å; F84-F112 HydrophobicContact CE2-CE1 4.21Å; F84-F112 HydrophobicContact CE2-CZ 4.29Å; F84-F112 HydrophobicContact CZ-CD1 4.34Å; F84-F112 HydrophobicContact CZ-CE1 4.02Å; F84-F112 HydrophobicContact CZ-CZ 4.46Å; F84-I133 HydrophobicContact CE1-CD1 3.93Å; F84-I133 HydrophobicContact CZ-CD1 3.73Å
85	A	93	Very high	95	Very high	81 Å²	81	49.8 Å²	49.8	67%	0.669	25%	0.253	S	S	*	.	S	Bend	trans	-63	-29.1	-172.7	0	0	0	0	0	114.1	P81 P87	P81-A85 VanDerWaalsContact O-CA 3.3Å; P81-A85 WeakPolarHBondContact O-CA 3.43Å; P81-A85 PolarHBondContact O-N 3.39Å; A85-P87 WeakPolarHBondContact O-CD 3.34Å
86	K	94.6	Very high	94.9	Very high	98 Å²	98	49 Å²	49	43%	0.426	25%	0.254	S	S	.	.			trans	-123.4	77.2	179	-61.6	-162.6	-167.4	167.4	0	111.4	F84 F88 S89 E102	F84-K86 VanDerWaalsContact C-N 3.27Å; F84-K86 PolarHBondContact O-N 3.44Å; K86-F88 VanDerWaalsContact C-N 3.26Å; K86-F88 PolarHBondContact O-N 3.43Å; K86-S89 WeakPolarHBondContact O-CB 3.38Å; K86-S89 PolarHBondContact O-N 3.04Å; K86-S89 VanDerWaalsContact O-N 3.09Å; K86-E102 WeakPolarHBondContact CD-OE2 3.4Å; K86-E102 WeakPolarHBondContact CE-OE2 3.03Å; K86-E102 IonicContact NZ-OE1 2.69Å; K86-E102 PolarHBondContact NZ-OE1 2.71Å; K86-E102 IonicContact NZ-OE2 3.34Å; K86-E102 PolarHBondContact NZ-OE2 2.87Å
87	P	95.6	Very high	94.8	Very high	31 Å²	31	51.2 Å²	51.2	20%	0.201	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-63	-30	-173.8	25	-34.9	0	0	0	113.7	W74 V77 A85 S89 M90 L176	W74-P87 HydrophobicContact CZ3-CB 4.38Å; V77-P87 HydrophobicContact CG1-CB 3.62Å; A85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-S89 VanDerWaalsContact C-N 3.28Å; P87-S89 PolarHBondContact O-N 3.39Å; P87-M90 WeakPolarHBondContact O-CB 3.14Å; P87-M90 PolarHBondContact O-N 2.94Å; P87-L176 HydrophobicContact CB-CD1 3.65Å; P87-L176 HydrophobicContact CG-CD1 4.2Å
88	F	96.1	Very high	94.8	Very high	44 Å²	44	51.1 Å²	51.1	19%	0.193	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-77.8	-14.2	178.8	-58.2	-61	0	0	0	113.4	K86 M90 V177 E404 F405 D408	K86-F88 VanDerWaalsContact C-N 3.26Å; K86-F88 PolarHBondContact O-N 3.43Å; F88-M90 PolarHBondContact O-N 3.29Å; F88-V177 HydrophobicContact CE1-CG2 3.85Å; F88-E404 HydrophobicContact CB-CB 4.12Å; F88-E404 HydrophobicContact CD1-CB 3.86Å; F88-E404 HydrophobicContact CD2-CB 4.22Å; F88-E404 HydrophobicContact CE1-CB 4.34Å; F88-E404 HydrophobicContact CG-CB 3.8Å; F88-F405 HydrophobicContact CB-CD1 4.42Å; F88-F405 HydrophobicContact CD1-CD1 4.44Å; F88-F405 HydrophobicContact CD1-CD2 4.15Å; F88-F405 AromaticContact CD1-CE1 3.98Å; F88-F405 HydrophobicContact CD1-CE1 3.98Å; F88-F405 AromaticContact CD1-CE2 3.67Å; F88-F405 HydrophobicContact CD1-CE2 3.67Å; F88-F405 AromaticContact CD1-CZ 3.57Å; F88-F405 HydrophobicContact CD1-CZ 3.57Å; F88-F405 HydrophobicContact CE1-CE2 4.11Å; F88-F405 HydrophobicContact CE1-CZ 4.11Å; F88-F405 WeakPolarHBondContact O-CA 3.45Å; F88-F405 WeakPolarHBondContact O-CD1 3.05Å; F88-D408 HydrophobicContact CB-CB 4.34Å; F88-D408 WeakPolarHBondContact CB-OD2 3.46Å; F88-D408 WeakPolarHBondContact O-CB 3.26Å
89	S	95.6	Very high	94.8	Very high	4 Å²	4	44 Å²	44	3%	0.028	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-81.5	8.5	168.8	-63.5	0	0	0	0	112.7	K86 P87 S100 R101 D408 F409	K86-S89 WeakPolarHBondContact O-CB 3.38Å; K86-S89 PolarHBondContact O-N 3.04Å; K86-S89 VanDerWaalsContact O-N 3.09Å; P87-S89 VanDerWaalsContact C-N 3.28Å; P87-S89 PolarHBondContact O-N 3.39Å; S89-S100 CarbonylContact O-C 3.57Å; S89-S100 VanDerWaalsContact O-CA 3.29Å; S89-S100 WeakPolarHBondContact O-CA 3.41Å; S89-S100 PolarHBondContact O-OG 3.48Å; S89-R101 PolarHBondContact O-N 3.23Å; S89-D408 PolarHBondContact N-OD2 3.47Å; S89-D408 WeakPolarHBondContact OG-CB 3.29Å; S89-D408 PolarHBondContact OG-OD2 3.28Å; S89-F409 VanDerWaalsContact O-CE2 3.31Å; S89-F409 WeakPolarHBondContact O-CE2 3.44Å; S89-F409 WeakPolarHBondContact O-CZ 3.28Å
90	M	96.9	Very high	94.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.1	-180	-61.5	166.8	44.9	0	0	112.2	F73 W74 V77 F84 P87 F88 V98 F99 L104 F405	F73-M90 HydrophobicContact CE1-CE 3.8Å; F73-M90 HydrophobicContact CE2-CE 4.46Å; F73-M90 HydrophobicContact CZ-CE 3.37Å; W74-M90 HydrophobicContact CH2-CB 4.35Å; V77-M90 HydrophobicContact CG2-CE 3.82Å; F84-M90 HydrophobicContact CB-SD 4.27Å; F84-M90 HydrophobicContact CD1-CE 3.77Å; F84-M90 HydrophobicContact CD1-SD 3.84Å; F84-M90 HydrophobicContact CE1-CE 4.26Å; P87-M90 WeakPolarHBondContact O-CB 3.14Å; P87-M90 PolarHBondContact O-N 2.94Å; F88-M90 PolarHBondContact O-N 3.29Å; M90-V98 HydrophobicContact CE-CG1 4.26Å; M90-F99 CarbonylContact C-O 3.51Å; M90-F99 VanDerWaalsContact CA-O 3.29Å; M90-F99 WeakPolarHBondContact CA-O 2.76Å; M90-L104 HydrophobicContact SD-CD2 3.97Å; M90-F405 WeakPolarHBondContact O-CD1 3.18Å; M90-F405 WeakPolarHBondContact O-CE1 3.44Å
91	A	96.1	Very high	94.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126	173.3	0	0	0	0	0	110.2	V98 F99 L166 I167 Q170 F409	A91-V98 CarbonylContact O-C 3.48Å; A91-V98 VanDerWaalsContact O-CA 3.32Å; A91-V98 WeakPolarHBondContact O-CA 3.18Å; A91-F99 PolarHBondContact N-O 2.88Å; A91-F99 PolarHBondContact O-N 2.72Å; A91-L166 VanDerWaalsContact C-CD2 3.44Å; A91-L166 HydrophobicContact CB-CB 4.33Å; A91-L166 HydrophobicContact CB-CD2 3.6Å; A91-L166 HydrophobicContact CB-CG 3.94Å; A91-L166 WeakPolarHBondContact O-CD2 3.38Å; A91-I167 HydrophobicContact CB-CG1 3.94Å; A91-Q170 HydrophobicContact CB-CG 3.72Å; A91-F409 HydrophobicContact CB-CE2 4.35Å; A91-F409 HydrophobicContact CB-CZ 4.03Å
92	Y	95.9	Very high	94.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133	-178.5	179	-141.9	0	0	0	111.5	V55 I57 R70 F73 G94 E95 L97 V98 Q170	V55-Y92 HydrophobicContact CB-CE2 4.4Å; I57-Y92 HydrophobicContact CD1-CE1 4.28Å; I57-Y92 WeakPolarHBondContact CD1-OH 3.21Å; R70-Y92 HydrophobicContact CG-CD1 4.28Å; R70-Y92 HydrophobicContact CG-CE1 4.35Å; F73-Y92 HydrophobicContact CB-CD1 3.58Å; F73-Y92 HydrophobicContact CB-CE1 3.41Å; F73-Y92 VanDerWaalsContact CB-CE1 3.41Å; F73-Y92 AromaticContact CD1-CD1 3.44Å; F73-Y92 HydrophobicContact CD1-CD1 3.44Å; F73-Y92 VanDerWaalsContact CD1-CD1 3.44Å; F73-Y92 HydrophobicContact CD1-CE1 4.17Å; F73-Y92 AromaticContact CD1-CG 3.78Å; F73-Y92 HydrophobicContact CD1-CG 3.78Å; F73-Y92 HydrophobicContact CD2-CD1 4.26Å; F73-Y92 HydrophobicContact CD2-CE1 4.32Å; F73-Y92 HydrophobicContact CD2-CG 4.48Å; F73-Y92 HydrophobicContact CE1-CD1 4.18Å; F73-Y92 HydrophobicContact CE1-CG 4.04Å; F73-Y92 AromaticContact CG-CD1 3.48Å; F73-Y92 HydrophobicContact CG-CD1 3.48Å; F73-Y92 VanDerWaalsContact CG-CD1 3.48Å; F73-Y92 AromaticContact CG-CE1 3.71Å; F73-Y92 HydrophobicContact CG-CE1 3.71Å; F73-Y92 HydrophobicContact CG-CG 4.01Å; F73-Y92 HydrophobicContact CZ-CG 4.48Å; Y92-G94 VanDerWaalsContact C-N 3.25Å; Y92-G94 VanDerWaalsContact CZ-C 3.42Å; Y92-G94 VanDerWaalsContact CZ-CA 3.41Å; Y92-G94 PolarHBondContact O-N 3.33Å; Y92-G94 VanDerWaalsContact OH-C 3.31Å; Y92-E95 PolarHBondContact OH-N 2.88Å; Y92-L97 VanDerWaalsContact CD2-O 3.31Å; Y92-L97 WeakPolarHBondContact CD2-O 3.39Å; Y92-V98 HydrophobicContact CD2-CG2 3.36Å; Y92-V98 HydrophobicContact CE2-CG2 4.15Å; Y92-V98 HydrophobicContact CG-CG2 3.9Å; Y92-Q170 VanDerWaalsContact N-NE2 3.13Å; Y92-Q170 PolarHBondContact O-NE2 3.26Å
93	D	92.6	Very high	94.5	Very high	21 Å²	21	34.8 Å²	34.8	11%	0.112	19%	0.194	C	C	.	.			trans	-70.5	-21.1	176.6	71.7	-13.3	0	0	0	113.5	R66 R70 E95 T96 L97 L166	R66-D93 PolarHBondContact NE-O 3.49Å; R66-D93 PolarHBondContact NH2-O 3Å; R70-D93 PolarHBondContact NH2-O 3.21Å; D93-E95 WeakPolarHBondContact OD1-CA 3.32Å; D93-E95 PolarHBondContact OD1-N 3.36Å; D93-T96 PolarHBondContact OD1-N 2.93Å; D93-T96 PolarHBondContact OD2-N 3.27Å; D93-L97 VanDerWaalsContact CG-N 3.3Å; D93-L97 PolarHBondContact N-O 3.37Å; D93-L97 PolarHBondContact OD1-N 2.99Å; D93-L97 PolarHBondContact OD2-N 3.26Å; D93-L166 HydrophobicContact CB-CD1 3.58Å
94	G	92.8	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	89.5	2.7	-173.3	0	0	0	0	0	114	R66 K69 R70 Y92	R66-G94 VanDerWaalsContact CG-O 3.27Å; R66-G94 WeakPolarHBondContact CG-O 3.36Å; K69-G94 VanDerWaalsContact CB-O 3.24Å; K69-G94 WeakPolarHBondContact CB-O 3.44Å; K69-G94 WeakPolarHBondContact CD-O 3.31Å; R70-G94 VanDerWaalsContact CG-CA 3.47Å; Y92-G94 VanDerWaalsContact C-N 3.25Å; Y92-G94 VanDerWaalsContact CZ-C 3.42Å; Y92-G94 VanDerWaalsContact CZ-CA 3.41Å; Y92-G94 PolarHBondContact O-N 3.33Å; Y92-G94 VanDerWaalsContact OH-C 3.31Å
95	E	92.9	Very high	94.6	Very high	74 Å²	74	38.1 Å²	38.1	35%	0.346	22%	0.216	S	C	.	.	S	Bend	trans	-129.1	-63.6	-175.1	-157.9	63.8	-138.2	0	0	112.9	K69 Y92 D93	K69-E95 PolarHBondContact NZ-O 3.4Å; K69-E95 IonicContact NZ-OE1 3.54Å; K69-E95 PolarHBondContact NZ-OE1 2.94Å; Y92-E95 PolarHBondContact OH-N 2.88Å; D93-E95 WeakPolarHBondContact OD1-CA 3.32Å; D93-E95 PolarHBondContact OD1-N 3.36Å
96	T	94.3	Very high	94.5	Very high	51 Å²	51	34.8 Å²	34.8	31%	0.313	19%	0.187	S	C	.	.	S	Bend	trans	-147.9	-14	-171.9	53.9	0	0	0	0	116.2	H54 V55 D93	H54-T96 WeakPolarHBondContact CA-O 3.38Å; H54-T96 PolarHBondContact ND1-O 3.02Å; V55-T96 PolarHBondContact N-O 2.93Å; V55-T96 WeakPolarHBondContact O-CA 3.37Å; D93-T96 PolarHBondContact OD1-N 2.93Å; D93-T96 PolarHBondContact OD2-N 3.27Å
97	L	94.9	Very high	94.3	Very high	47 Å²	47	37.8 Å²	37.8	25%	0.246	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128	-170.3	-68.7	174.8	0	0	0	112	Q52 Y92 D93 F99	Q52-L97 HydrophobicContact CG-CD2 4.3Å; Y92-L97 VanDerWaalsContact CD2-O 3.31Å; Y92-L97 WeakPolarHBondContact CD2-O 3.39Å; D93-L97 VanDerWaalsContact CG-N 3.3Å; D93-L97 PolarHBondContact N-O 3.37Å; D93-L97 PolarHBondContact OD1-N 2.99Å; D93-L97 PolarHBondContact OD2-N 3.26Å; L97-F99 HydrophobicContact CB-CE2 4.08Å; L97-F99 HydrophobicContact CD1-CZ 4.47Å
98	V	96	Very high	93.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.2	169.5	171.8	0	0	0	0	109.4	Y53 V55 F73 M90 A91 Y92	Y53-V98 PolarHBondContact N-O 3.31Å; Y53-V98 PolarHBondContact O-N 3.44Å; V55-V98 HydrophobicContact CB-CG2 4.48Å; V55-V98 HydrophobicContact CG2-CB 4Å; V55-V98 HydrophobicContact CG2-CG2 3.4Å; V55-V98 VanDerWaalsContact CG2-CG2 3.4Å; F73-V98 HydrophobicContact CD2-CG2 4.44Å; F73-V98 HydrophobicContact CE1-CG2 4.24Å; F73-V98 HydrophobicContact CE2-CG2 3.61Å; F73-V98 HydrophobicContact CZ-CB 4.44Å; F73-V98 HydrophobicContact CZ-CG1 4.1Å; F73-V98 HydrophobicContact CZ-CG2 3.46Å; F73-V98 VanDerWaalsContact CZ-CG2 3.46Å; M90-V98 HydrophobicContact CE-CG1 4.26Å; A91-V98 CarbonylContact O-C 3.48Å; A91-V98 VanDerWaalsContact O-CA 3.32Å; A91-V98 WeakPolarHBondContact O-CA 3.18Å; Y92-V98 HydrophobicContact CD2-CG2 3.36Å; Y92-V98 HydrophobicContact CE2-CG2 4.15Å; Y92-V98 HydrophobicContact CG-CG2 3.9Å
99	F	95.8	Very high	93.3	Very high	11 Å²	11	46.9 Å²	46.9	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.2	170	-60.3	-87.8	0	0	0	108.9	V50 V51 Q52 M90 A91 L97 V139 V163 L166	V50-F99 HydrophobicContact CB-CB 4.34Å; V50-F99 HydrophobicContact CG2-CB 4.2Å; V50-F99 HydrophobicContact CG2-CD1 3.88Å; V50-F99 HydrophobicContact CG2-CG 4.42Å; V51-F99 CarbonylContact O-C 3.6Å; V51-F99 WeakPolarHBondContact O-CA 3.35Å; Q52-F99 HydrophobicContact CB-CD1 4.01Å; Q52-F99 HydrophobicContact CB-CE1 3.86Å; Q52-F99 HydrophobicContact CG-CD1 4.04Å; Q52-F99 HydrophobicContact CG-CE1 3.52Å; Q52-F99 HydrophobicContact CG-CZ 4.06Å; M90-F99 CarbonylContact C-O 3.51Å; M90-F99 VanDerWaalsContact CA-O 3.29Å; M90-F99 WeakPolarHBondContact CA-O 2.76Å; A91-F99 PolarHBondContact N-O 2.88Å; A91-F99 PolarHBondContact O-N 2.72Å; L97-F99 HydrophobicContact CB-CE2 4.08Å; L97-F99 HydrophobicContact CD1-CZ 4.47Å; F99-V139 HydrophobicContact CD1-CG2 4.47Å; F99-V139 HydrophobicContact CE1-CG2 3.93Å; F99-V163 HydrophobicContact CB-CG1 4.46Å; F99-V163 HydrophobicContact CD1-CG2 3.68Å; F99-V163 HydrophobicContact CD2-CG2 4.02Å; F99-V163 HydrophobicContact CE1-CG2 3.53Å; F99-V163 HydrophobicContact CE2-CG2 3.89Å; F99-V163 HydrophobicContact CG-CG1 4.34Å; F99-V163 HydrophobicContact CG-CG2 3.91Å; F99-V163 HydrophobicContact CZ-CG2 3.64Å; F99-L166 HydrophobicContact CD2-CD2 3.49Å; F99-L166 VanDerWaalsContact CD2-CD2 3.49Å; F99-L166 HydrophobicContact CE2-CD2 4Å
100	S	95.7	Very high	93.2	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.3	177	-167.4	0	0	0	0	110.5	V50 V51 S89 E102	V50-S100 CarbonylContact C-O 3.59Å; V50-S100 WeakPolarHBondContact CA-O 3.29Å; V51-S100 PolarHBondContact N-O 3.22Å; V51-S100 PolarHBondContact O-N 2.91Å; S89-S100 CarbonylContact O-C 3.57Å; S89-S100 VanDerWaalsContact O-CA 3.29Å; S89-S100 WeakPolarHBondContact O-CA 3.41Å; S89-S100 PolarHBondContact O-OG 3.48Å; S100-E102 VanDerWaalsContact C-N 3.32Å; S100-E102 VanDerWaalsContact CB-O 3.23Å; S100-E102 WeakPolarHBondContact CB-O 3.4Å; S100-E102 PolarHBondContact OG-O 3.48Å
101	R	93.6	Very high	93.1	Very high	70 Å²	70	53.6 Å²	53.6	26%	0.264	28%	0.281	S	S	.	.	S	Bend	trans	-68.5	-35.2	174.3	-177.9	55.5	177.3	131.3	-1.3	111.6	L47 E49 S89 F409	L47-R101 PolarHBondContact O-NH2 2.99Å; E49-R101 VanDerWaalsContact O-CD 3.31Å; E49-R101 WeakPolarHBondContact O-CD 3.33Å; E49-R101 PolarHBondContact O-NH1 3.42Å; S89-R101 PolarHBondContact O-N 3.23Å; R101-F409 HydrophobicContact CB-CD1 4.1Å; R101-F409 HydrophobicContact CB-CE1 4.19Å
102	E	91	Very high	93.1	Very high	88 Å²	88	55.3 Å²	55.3	41%	0.411	29%	0.288	S	S	.	.	S	Bend	trans	-108.1	135.9	174.2	-64.1	-171.5	-176.2	0	0	110	K86 S100 L104	K86-E102 WeakPolarHBondContact CD-OE2 3.4Å; K86-E102 WeakPolarHBondContact CE-OE2 3.03Å; K86-E102 IonicContact NZ-OE1 2.69Å; K86-E102 PolarHBondContact NZ-OE1 2.71Å; K86-E102 IonicContact NZ-OE2 3.34Å; K86-E102 PolarHBondContact NZ-OE2 2.87Å; S100-E102 VanDerWaalsContact C-N 3.32Å; S100-E102 VanDerWaalsContact CB-O 3.23Å; S100-E102 WeakPolarHBondContact CB-O 3.4Å; S100-E102 PolarHBondContact OG-O 3.48Å; E102-L104 PolarHBondContact O-N 3.32Å
103	A	92.6	Very high	93.1	Very high	74 Å²	74	61.5 Å²	61.5	61%	0.612	32%	0.317	S	S	*	.			trans	-61.2	125.7	179.4	0	0	0	0	0	110.1	V51	V51-A103 HydrophobicContact CG2-CB 4.1Å
104	L	95.1	Very high	93.2	Very high	14 Å²	14	61.1 Å²	61.1	7%	0.073	32%	0.318	C	S	.	.			trans	-62.3	150.7	166.2	-58.1	177.8	0	0	0	109.1	Y53 F84 M90 E102 I106	Y53-L104 HydrophobicContact CD1-CD1 4.31Å; Y53-L104 HydrophobicContact CD2-CD1 4.19Å; Y53-L104 HydrophobicContact CE1-CB 4.1Å; Y53-L104 HydrophobicContact CE1-CD1 4.12Å; Y53-L104 HydrophobicContact CE1-CG 4.36Å; Y53-L104 HydrophobicContact CE2-CB 4.46Å; Y53-L104 HydrophobicContact CE2-CD1 3.98Å; Y53-L104 HydrophobicContact CE2-CG 3.99Å; Y53-L104 HydrophobicContact CG-CD1 4.36Å; Y53-L104 PolarHBondContact OH-N 2.73Å; F84-L104 HydrophobicContact CD1-CD1 4.2Å; F84-L104 HydrophobicContact CD1-CD2 3.87Å; F84-L104 HydrophobicContact CE1-CD1 3.93Å; F84-L104 HydrophobicContact CE1-CD2 4.41Å; M90-L104 HydrophobicContact SD-CD2 3.97Å; E102-L104 PolarHBondContact O-N 3.32Å; L104-I106 HydrophobicContact CB-CD1 4.01Å; L104-I106 HydrophobicContact CB-CG1 4.08Å; L104-I106 HydrophobicContact CD1-CD1 4.09Å; L104-I106 PolarHBondContact O-N 2.81Å
105	P	94.7	Very high	93.2	Very high	86 Å²	86	66.4 Å²	66.4	56%	0.558	34%	0.343	S	S	*	.	S	Bend	trans	-74.3	58.8	178.3	33.3	-36.1	0	0	0	111.3	V83	V83-P105 HydrophobicContact CB-CG 4.45Å; V83-P105 HydrophobicContact CG1-CG 4.18Å; V83-P105 WeakPolarHBondContact O-CD 3.46Å
106	I	92.4	Very high	93.3	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.056	33%	0.327	C	S	.	.			trans	-128.5	115.9	179.6	-53	173.2	0	0	0	106.6	Y53 L104 E110 F112 I133	Y53-I106 HydrophobicContact CD1-CD1 4.43Å; Y53-I106 HydrophobicContact CE1-CB 4.42Å; Y53-I106 HydrophobicContact CE1-CD1 4.28Å; L104-I106 HydrophobicContact CB-CD1 4.01Å; L104-I106 HydrophobicContact CB-CG1 4.08Å; L104-I106 HydrophobicContact CD1-CD1 4.09Å; L104-I106 PolarHBondContact O-N 2.81Å; I106-E110 HydrophobicContact CG2-CB 4.21Å; I106-F112 HydrophobicContact CD1-CB 3.59Å; I106-F112 HydrophobicContact CD1-CG 4.34Å; I106-F112 HydrophobicContact CG1-CB 3.95Å; I106-I133 HydrophobicContact CD1-CB 4.22Å; I106-I133 HydrophobicContact CD1-CG2 3.87Å
107	K	89	Confident	93.2	Very high	161 Å²	161	66.1 Å²	66.1	70%	0.7	34%	0.336	S	S	*	.			trans	-72.3	162.9	-179.1	-62.2	175.6	-178	175.2	0	111.7	N109 E110	K107-N109 PolarHBondContact O-N 2.66Å; K107-N109 VanDerWaalsContact O-N 3.11Å; K107-E110 HydrophobicContact CB-CB 4.04Å; K107-E110 PolarHBondContact N-OE2 2.76Å; K107-E110 PolarHBondContact O-N 2.84Å
108	E	84.9	Confident	93	Very high	115 Å²	115	64.8 Å²	64.8	54%	0.537	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-38.8	-175.5	-133.3	85	-153.7	0	0	114.2	K135	E108-K135 VanDerWaalsContact OE1-CE 3.31Å; E108-K135 WeakPolarHBondContact OE1-CE 3.32Å; E108-K135 IonicContact OE1-NZ 2.79Å; E108-K135 PolarHBondContact OE1-NZ 2.98Å; E108-K135 IonicContact OE2-NZ 2.79Å; E108-K135 PolarHBondContact OE2-NZ 3.49Å
109	N	86.1	Confident	92.4	Very high	151 Å²	151	68.3 Å²	68.3	81%	0.807	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	7.1	-177.1	-67.9	-26.3	0	0	0	113.5	K107	K107-N109 PolarHBondContact O-N 2.66Å; K107-N109 VanDerWaalsContact O-N 3.11Å
110	E	93.1	Very high	91.8	Very high	88 Å²	88	68 Å²	68	41%	0.411	34%	0.344	S	S	.	.			trans	-96	144.5	-178.5	-168.6	174.1	-173.6	0	0	110	I106 K107	I106-E110 HydrophobicContact CG2-CB 4.21Å; K107-E110 HydrophobicContact CB-CB 4.04Å; K107-E110 PolarHBondContact N-OE2 2.76Å; K107-E110 PolarHBondContact O-N 2.84Å
111	T	95.1	Very high	91	Very high	59 Å²	59	70.3 Å²	70.3	36%	0.362	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119.6	168.9	-56.5	0	0	0	0	107	E113 R132	T111-E113 HydrophobicContact CG2-CG 4.36Å; T111-R132 HydrophobicContact CG2-CB 3.89Å; T111-R132 HydrophobicContact CG2-CG 4.3Å
112	F	96.7	Very high	90.2	Very high	36 Å²	36	72.3 Å²	72.3	16%	0.158	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.8	168.1	172.3	-91.5	0	0	0	108.4	L76 T80 V83 F84 I106 R132 I133	L76-F112 HydrophobicContact CD1-CE1 4.31Å; L76-F112 HydrophobicContact CD2-CE1 4.08Å; T80-F112 HydrophobicContact CG2-CZ 4.27Å; V83-F112 HydrophobicContact CB-CE2 4.4Å; V83-F112 HydrophobicContact CG1-CD2 4.2Å; V83-F112 HydrophobicContact CG1-CE2 4.18Å; V83-F112 HydrophobicContact CG2-CD2 4.3Å; V83-F112 HydrophobicContact CG2-CE2 3.78Å; V83-F112 HydrophobicContact CG2-CZ 4.5Å; F84-F112 HydrophobicContact CE2-CE1 4.21Å; F84-F112 HydrophobicContact CE2-CZ 4.29Å; F84-F112 HydrophobicContact CZ-CD1 4.34Å; F84-F112 HydrophobicContact CZ-CE1 4.02Å; F84-F112 HydrophobicContact CZ-CZ 4.46Å; I106-F112 HydrophobicContact CD1-CB 3.59Å; I106-F112 HydrophobicContact CD1-CG 4.34Å; I106-F112 HydrophobicContact CG1-CB 3.95Å; F112-R132 CarbonylContact O-C 3.56Å; F112-R132 WeakPolarHBondContact O-CA 3.2Å; F112-I133 HydrophobicContact CB-CB 4.32Å; F112-I133 HydrophobicContact CD1-CB 4.39Å; F112-I133 HydrophobicContact CD1-CD1 4.1Å; F112-I133 HydrophobicContact CD1-CG1 4.26Å; F112-I133 PolarHBondContact N-O 3.12Å; F112-I133 PolarHBondContact O-N 2.87Å
113	E	95.9	Very high	89.7	Confident	129 Å²	129	69 Å²	69	60%	0.603	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.1	174.4	-52.2	-159.2	147.8	0	0	109.5	T111 V131 R132	T111-E113 HydrophobicContact CG2-CG 4.36Å; E113-V131 WeakPolarHBondContact CA-O 3.23Å; E113-R132 HydrophobicContact CG-CG 4.07Å; E113-R132 WeakPolarHBondContact OE1-CD 3.45Å
114	G	94.1	Very high	88.9	Confident	14 Å²	14	69.5 Å²	69.5	14%	0.144	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.9	175.4	0	0	0	0	0	110.7	V131	G114-V131 PolarHBondContact N-O 3.21Å; G114-V131 PolarHBondContact O-N 2.93Å
115	Q	94.1	Very high	88.4	Confident	111 Å²	111	78.2 Å²	78.2	52%	0.519	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.9	175.1	-174.7	175.5	-33.8	0	0	109.2	D128 I129	Q115-D128 HydrophobicContact CG-CB 4.2Å; Q115-D128 VanDerWaalsContact NE2-CB 3.27Å; Q115-D128 PolarHBondContact NE2-OD1 3.15Å; Q115-I129 WeakPolarHBondContact CA-O 3.38Å
116	V	94.5	Very high	88	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.6	178	179.7	0	0	0	0	109.3	V72 K75 L76 I129	V72-V116 HydrophobicContact CG1-CB 4.23Å; V72-V116 HydrophobicContact CG1-CG2 4.39Å; K75-V116 HydrophobicContact CB-CG1 3.99Å; K75-V116 HydrophobicContact CD-CG1 3.49Å; K75-V116 VanDerWaalsContact CD-CG1 3.49Å; K75-V116 HydrophobicContact CG-CG1 3.64Å; L76-V116 HydrophobicContact CB-CG2 3.55Å; L76-V116 HydrophobicContact CD1-CG2 3.93Å; L76-V116 HydrophobicContact CG-CG2 4.31Å; V116-I129 PolarHBondContact N-O 3.39Å; V116-I129 PolarHBondContact O-N 3.21Å
117	K	92.6	Very high	87.9	Confident	118 Å²	118	77.6 Å²	77.6	51%	0.513	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.9	172.3	-164	169.7	-172.4	171.6	0	110.2	K75 P126 I127	K75-K117 PolarHBondContact NZ-O 3.39Å; K117-P126 HydrophobicContact CG-CB 4.06Å; K117-I127 WeakPolarHBondContact CA-O 3.42Å
118	I	89.5	Confident	88.1	Confident	20 Å²	20	72.8 Å²	72.8	10%	0.103	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147	-178.3	-169.3	167.5	0	0	0	112.6	T71 V72 V120 P126 I127 I129	T71-I118 HydrophobicContact CG2-CD1 3.4Å; T71-I118 VanDerWaalsContact CG2-CD1 3.4Å; V72-I118 HydrophobicContact CG2-CD1 4.46Å; V72-I118 HydrophobicContact CG2-CG2 3.82Å; I118-V120 HydrophobicContact CG2-CG1 3.92Å; I118-V120 PolarHBondContact O-N 3.23Å; I118-P126 WeakPolarHBondContact O-CA 3.38Å; I118-I127 PolarHBondContact N-O 3.22Å; I118-I127 PolarHBondContact O-N 3.02Å; I118-I129 HydrophobicContact CG2-CD1 3.53Å; I118-I129 HydrophobicContact CG2-CG1 4.29Å
119	Q	84.7	Confident	88.6	Confident	76 Å²	76	67.4 Å²	67.4	36%	0.355	33%	0.327	S	S	.	.			trans	-82.5	101.9	165.4	-172.4	64.7	51.9	0	0	109.4	S123 R125	Q119-S123 VanDerWaalsContact NE2-C 3.28Å; Q119-S123 PolarHBondContact NE2-O 3.4Å; Q119-R125 PolarHBondContact NE2-O 3.39Å; Q119-R125 PolarHBondContact OE1-O 3.46Å
120	V	83.3	Confident	89	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.024	32%	0.315	C	S	.	.			trans	-81.5	154.5	171.6	-60.9	0	0	0	0	111	V62 L64 D68 I118 R122 S123 I127 I129	V62-V120 HydrophobicContact CG2-CG2 3.84Å; L64-V120 HydrophobicContact CD2-CG1 3.87Å; D68-V120 HydrophobicContact CB-CG1 4.36Å; I118-V120 HydrophobicContact CG2-CG1 3.92Å; I118-V120 PolarHBondContact O-N 3.23Å; V120-R122 PolarHBondContact O-N 2.91Å; V120-S123 PolarHBondContact O-N 3.02Å; V120-S123 VanDerWaalsContact O-N 3.1Å; V120-I127 HydrophobicContact CG1-CD1 4.24Å; V120-I127 HydrophobicContact CG2-CD1 3.85Å; V120-I127 HydrophobicContact CG2-CG1 4.33Å; V120-I129 HydrophobicContact CG1-CD1 3.99Å
121	L	77.8	Confident	89.2	Confident	52 Å²	52	61.7 Å²	61.7	27%	0.272	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.6	-178.4	-64.5	174.9	0	0	0	113.4	A294 Q295	L121-A294 CarbonylContact O-C 3.13Å; L121-A294 WeakPolarHBondContact O-CA 3.27Å; L121-Q295 HydrophobicContact CB-CB 4.4Å; L121-Q295 HydrophobicContact CB-CG 4.35Å; L121-Q295 HydrophobicContact CD2-CG 4.18Å; L121-Q295 PolarHBondContact O-N 2.66Å
122	R	77.4	Confident	89.3	Confident	111 Å²	111	64 Å²	64	42%	0.419	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	0.3	-177.1	-64.1	-178.3	-179.1	125.1	6.5	114.5	R63 T65 V120	R63-R122 PolarHBondContact O-NH1 3.41Å; T65-R122 VanDerWaalsContact CG2-CZ 3.44Å; V120-R122 PolarHBondContact O-N 2.91Å
123	S	79.4	Confident	89.3	Confident	19 Å²	19	62.4 Å²	62.4	13%	0.133	29%	0.291	C	S	.	.			trans	-113.3	150	177.5	-177.1	0	0	0	0	109.1	Q119 V120 R125 A294	Q119-S123 VanDerWaalsContact NE2-C 3.28Å; Q119-S123 PolarHBondContact NE2-O 3.4Å; V120-S123 PolarHBondContact O-N 3.02Å; V120-S123 VanDerWaalsContact O-N 3.1Å; S123-R125 WeakPolarHBondContact CB-O 3.47Å; S123-R125 PolarHBondContact OG-N 2.93Å; S123-R125 PolarHBondContact OG-O 3.29Å; S123-A294 WeakPolarHBondContact O-CB 3.3Å
124	N	77.3	Confident	89.4	Confident	85 Å²	85	60.9 Å²	60.9	46%	0.455	28%	0.282	S	S	.	.	S	Bend	trans	-87.9	-15.5	170.1	-71.4	-16.1	0	0	0	112.7	A294 Y296	N124-A294 WeakPolarHBondContact OD1-CB 3.33Å; N124-Y296 PolarHBondContact ND2-OH 3.37Å; N124-Y296 PolarHBondContact OD1-OH 2.86Å
125	R	83.3	Confident	89.4	Confident	197 Å²	197	62 Å²	62	74%	0.743	28%	0.283	S	S	*	.	S	Bend	trans	-127.9	154.5	-178.9	-63.6	-177.2	-178.2	178	0	110.9	Q119 S123 I127	Q119-R125 PolarHBondContact NE2-O 3.39Å; Q119-R125 PolarHBondContact OE1-O 3.46Å; S123-R125 WeakPolarHBondContact CB-O 3.47Å; S123-R125 PolarHBondContact OG-N 2.93Å; S123-R125 PolarHBondContact OG-O 3.29Å; R125-I127 PolarHBondContact O-N 3.31Å
126	P	86.9	Confident	89.4	Confident	71 Å²	71	59.6 Å²	59.6	46%	0.461	28%	0.279	S	S	.	.			trans	-61.9	139.5	174.4	-23.1	34.3	0	0	0	109.5	K117 I118	K117-P126 HydrophobicContact CG-CB 4.06Å; I118-P126 WeakPolarHBondContact O-CA 3.38Å
127	I	90.7	Very high	89.2	Confident	12 Å²	12	60.8 Å²	60.8	6%	0.062	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.6	177	55.6	167.4	0	0	0	109.6	K61 V62 K117 I118 V120 R125 I129	K61-I127 HydrophobicContact CD-CG2 4.19Å; V62-I127 HydrophobicContact CG2-CD1 3.19Å; K117-I127 WeakPolarHBondContact CA-O 3.42Å; I118-I127 PolarHBondContact N-O 3.22Å; I118-I127 PolarHBondContact O-N 3.02Å; V120-I127 HydrophobicContact CG1-CD1 4.24Å; V120-I127 HydrophobicContact CG2-CD1 3.85Å; V120-I127 HydrophobicContact CG2-CG1 4.33Å; R125-I127 PolarHBondContact O-N 3.31Å; I127-I129 HydrophobicContact CD1-CD1 3.96Å; I127-I129 HydrophobicContact CD1-CG1 3.98Å; I127-I129 HydrophobicContact CG1-CD1 4.2Å; I127-I129 HydrophobicContact CG1-CG1 4.07Å
128	D	92.4	Very high	89.1	Confident	61 Å²	61	59.7 Å²	59.7	33%	0.326	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.6	168.7	-66.9	-69.5	0	0	0	109.6	Q115	Q115-D128 HydrophobicContact CG-CB 4.2Å; Q115-D128 VanDerWaalsContact NE2-CB 3.27Å; Q115-D128 PolarHBondContact NE2-OD1 3.15Å
129	I	95.2	Very high	89.1	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.3	179.6	-61.1	-179.3	0	0	0	107.6	I57 L64 V72 Q115 V116 I118 V120 I127	I57-I129 HydrophobicContact CG2-CG2 3.59Å; L64-I129 HydrophobicContact CD1-CD1 4.06Å; L64-I129 HydrophobicContact CD1-CG2 4.08Å; L64-I129 HydrophobicContact CD2-CD1 3.74Å; V72-I129 HydrophobicContact CG1-CB 4.4Å; V72-I129 HydrophobicContact CG1-CG2 3.98Å; V72-I129 HydrophobicContact CG2-CB 4.45Å; V72-I129 HydrophobicContact CG2-CD1 3.6Å; V72-I129 HydrophobicContact CG2-CG2 4.3Å; Q115-I129 WeakPolarHBondContact CA-O 3.38Å; V116-I129 PolarHBondContact N-O 3.39Å; V116-I129 PolarHBondContact O-N 3.21Å; I118-I129 HydrophobicContact CG2-CD1 3.53Å; I118-I129 HydrophobicContact CG2-CG1 4.29Å; V120-I129 HydrophobicContact CG1-CD1 3.99Å; I127-I129 HydrophobicContact CD1-CD1 3.96Å; I127-I129 HydrophobicContact CD1-CG1 3.98Å; I127-I129 HydrophobicContact CG1-CD1 4.2Å; I127-I129 HydrophobicContact CG1-CG1 4.07Å
130	Q	94.8	Very high	89.2	Confident	119 Å²	119	61 Å²	61	56%	0.556	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	142.2	173.6	-72.1	-171	-15.3	0	0	110.6
131	V	97.2	Very high	89.2	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125	176.6	-177.7	0	0	0	0	107.8	V55 E56 I57 V72 L76 E113 G114 I133	V55-V131 HydrophobicContact CG1-CG1 4.01Å; E56-V131 WeakPolarHBondContact O-CA 3.44Å; I57-V131 HydrophobicContact CD1-CG1 4.48Å; I57-V131 HydrophobicContact CD1-CG2 4.44Å; I57-V131 HydrophobicContact CG1-CG1 4.1Å; I57-V131 HydrophobicContact CG1-CG2 4.2Å; I57-V131 HydrophobicContact CG2-CG2 4.36Å; V72-V131 HydrophobicContact CG1-CG2 3.54Å; L76-V131 HydrophobicContact CD2-CB 3.79Å; L76-V131 HydrophobicContact CD2-CG1 3.59Å; L76-V131 HydrophobicContact CD2-CG2 4.14Å; E113-V131 WeakPolarHBondContact CA-O 3.23Å; G114-V131 PolarHBondContact N-O 3.21Å; G114-V131 PolarHBondContact O-N 2.93Å; V131-I133 HydrophobicContact CG1-CD1 4.34Å; V131-I133 HydrophobicContact CG1-CG1 4.05Å
132	R	97.2	Very high	89.3	Confident	108 Å²	108	62.2 Å²	62.2	41%	0.408	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.7	174.3	-68.3	-175.6	-70.3	150.8	4.4	109.6	V55 E56 T111 F112 E113	V55-R132 CarbonylContact C-O 3.55Å; V55-R132 WeakPolarHBondContact CA-O 3.39Å; E56-R132 HydrophobicContact CB-CB 4.48Å; E56-R132 PolarHBondContact N-O 2.93Å; E56-R132 PolarHBondContact O-N 3.38Å; E56-R132 IonicContact OE2-CZ 2.61Å; E56-R132 IonicContact OE2-NE 3.74Å; E56-R132 IonicContact OE2-NH1 2.91Å; E56-R132 IonicContact OE2-NH2 3.16Å; E56-R132 PolarHBondContact OE2-NH2 2.9Å; T111-R132 HydrophobicContact CG2-CB 3.89Å; T111-R132 HydrophobicContact CG2-CG 4.3Å; F112-R132 CarbonylContact O-C 3.56Å; F112-R132 WeakPolarHBondContact O-CA 3.2Å; E113-R132 HydrophobicContact CG-CG 4.07Å; E113-R132 WeakPolarHBondContact OE1-CD 3.45Å
133	I	97.6	Very high	89.2	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.6	-177.9	-52.7	-179.8	0	0	0	108.8	Y53 H54 V55 F73 L76 F84 I106 F112 V131	Y53-I133 HydrophobicContact CD1-CG2 3.97Å; Y53-I133 HydrophobicContact CG-CG2 4.19Å; H54-I133 WeakPolarHBondContact O-CA 3.39Å; V55-I133 HydrophobicContact CG1-CG1 4.24Å; V55-I133 HydrophobicContact CG2-CG1 4.07Å; V55-I133 HydrophobicContact CG2-CG2 4.19Å; F73-I133 HydrophobicContact CE2-CD1 4.13Å; L76-I133 HydrophobicContact CD2-CD1 4.32Å; F84-I133 HydrophobicContact CE1-CD1 3.93Å; F84-I133 HydrophobicContact CZ-CD1 3.73Å; I106-I133 HydrophobicContact CD1-CB 4.22Å; I106-I133 HydrophobicContact CD1-CG2 3.87Å; F112-I133 HydrophobicContact CB-CB 4.32Å; F112-I133 HydrophobicContact CD1-CB 4.39Å; F112-I133 HydrophobicContact CD1-CD1 4.1Å; F112-I133 HydrophobicContact CD1-CG1 4.26Å; F112-I133 PolarHBondContact N-O 3.12Å; F112-I133 PolarHBondContact O-N 2.87Å; V131-I133 HydrophobicContact CG1-CD1 4.34Å; V131-I133 HydrophobicContact CG1-CG1 4.05Å
134	K	96.8	Very high	88.8	Confident	97 Å²	97	63.6 Å²	63.6	42%	0.422	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.7	177.5	-173.4	177.4	178.2	179.3	0	110.6	Y53 H54 S136	Y53-K134 CarbonylContact C-O 3.52Å; Y53-K134 VanDerWaalsContact CA-O 3.26Å; Y53-K134 WeakPolarHBondContact CA-O 3.33Å; H54-K134 PolarHBondContact N-O 3.23Å; H54-K134 PolarHBondContact O-N 3.48Å; K134-S136 PolarHBondContact O-N 3.13Å
135	K	95.9	Very high	87.8	Confident	38 Å²	38	62 Å²	62	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	127.8	171.2	-170.6	-176	177.8	-162.4	0	108.9	V51 Y53 E108	V51-K135 HydrophobicContact CG1-CD 4.17Å; V51-K135 HydrophobicContact CG1-CG 3.88Å; Y53-K135 HydrophobicContact CD1-CB 4.07Å; Y53-K135 HydrophobicContact CE1-CB 3.89Å; Y53-K135 HydrophobicContact CE1-CG 4.18Å; E108-K135 VanDerWaalsContact OE1-CE 3.31Å; E108-K135 WeakPolarHBondContact OE1-CE 3.32Å; E108-K135 IonicContact OE1-NZ 2.79Å; E108-K135 PolarHBondContact OE1-NZ 2.98Å; E108-K135 IonicContact OE2-NZ 2.79Å; E108-K135 PolarHBondContact OE2-NZ 3.49Å
136	S	92.7	Very high	86.3	Confident	61 Å²	61	57.8 Å²	57.8	43%	0.427	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-15.2	-178.5	57.6	0	0	0	0	113.9	Q52 K134	Q52-S136 WeakPolarHBondContact CG-OG 3.08Å; Q52-S136 PolarHBondContact NE2-OG 2.82Å; Q52-S136 PolarHBondContact O-N 2.87Å; Q52-S136 PolarHBondContact O-OG 2.95Å; K134-S136 PolarHBondContact O-N 3.13Å
137	G	91.2	Very high	84.7	Confident	24 Å²	24	63.4 Å²	63.4	25%	0.247	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-165.2	175	0	0	0	0	0	113.6	Q52	Q52-G137 PolarHBondContact N-O 3.22Å; Q52-G137 PolarHBondContact O-N 3.02Å
138	I	89.9	Confident	82.8	Confident	96 Å²	96	63.8 Å²	63.8	49%	0.492	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.3	175	-61.2	172.5	0	0	0	107.6	E49 V50	E49-I138 HydrophobicContact CB-CG2 4.38Å; V50-I138 WeakPolarHBondContact O-CA 3.49Å
139	V	88.8	Confident	80.8	Confident	16 Å²	16	65.1 Å²	65.1	10%	0.097	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.7	174.8	179.7	0	0	0	0	108.9	V50 Q52 F99 T159 V163	V50-V139 HydrophobicContact CG2-CB 3.88Å; V50-V139 PolarHBondContact N-O 3.01Å; V50-V139 PolarHBondContact O-N 3.37Å; Q52-V139 HydrophobicContact CB-CG2 4.48Å; F99-V139 HydrophobicContact CD1-CG2 4.47Å; F99-V139 HydrophobicContact CE1-CG2 3.93Å; V139-T159 HydrophobicContact CG1-CG2 4.03Å; V139-T159 HydrophobicContact CG2-CG2 3.9Å; V139-V163 HydrophobicContact CG1-CG2 4.44Å
140	K	86.8	Confident	78.6	Confident	107 Å²	107	66 Å²	66	47%	0.465	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.5	172.6	-60.2	-173.5	-179.1	-147.6	0	108.1	L47 E49 L142	L47-K140 HydrophobicContact CD2-CB 3.98Å; L47-K140 HydrophobicContact CD2-CD 3.72Å; L47-K140 HydrophobicContact CD2-CG 3.97Å; E49-K140 HydrophobicContact CG-CG 4.12Å; E49-K140 WeakPolarHBondContact OE1-CD 3.29Å; E49-K140 WeakPolarHBondContact OE1-CE 3.13Å; E49-K140 IonicContact OE1-NZ 3Å; E49-K140 PolarHBondContact OE1-NZ 3.09Å; K140-L142 VanDerWaalsContact C-N 3.28Å; K140-L142 HydrophobicContact CB-CD1 4.06Å; K140-L142 HydrophobicContact CB-CG 4.22Å; K140-L142 PolarHBondContact O-N 3.03Å
141	I	84.5	Confident	76.2	Confident	7 Å²	7	61.3 Å²	61.3	4%	0.036	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	86.7	175.9	-54.2	-174.2	0	0	0	107.8	I48 V50 F143 P160 V163 I164	I48-I141 HydrophobicContact CB-CB 4.19Å; I48-I141 HydrophobicContact CG2-CB 4.34Å; I48-I141 HydrophobicContact CG2-CD1 3.77Å; I48-I141 HydrophobicContact CG2-CG1 4.18Å; I48-I141 PolarHBondContact O-N 3.41Å; V50-I141 HydrophobicContact CG1-CD1 4.11Å; I141-F143 HydrophobicContact CG2-CE1 4.11Å; I141-F143 HydrophobicContact CG2-CE2 4.39Å; I141-F143 HydrophobicContact CG2-CZ 3.83Å; I141-P160 HydrophobicContact CG2-CB 4.35Å; I141-V163 HydrophobicContact CD1-CG1 3.79Å; I141-V163 HydrophobicContact CG1-CG1 4.46Å; I141-I164 HydrophobicContact CG2-CD1 3.86Å; I141-I164 HydrophobicContact CG2-CG1 4.29Å
142	L	78.8	Confident	73.7	Confident	74 Å²	74	62.6 Å²	62.6	39%	0.387	34%	0.344	S	S	.	.			trans	-104.9	129.1	174.8	-73.6	164.1	0	0	0	108.7	L47 K140	L47-L142 HydrophobicContact CD1-CD2 3.37Å; L47-L142 HydrophobicContact CD1-CG 4Å; K140-L142 VanDerWaalsContact C-N 3.28Å; K140-L142 HydrophobicContact CB-CD1 4.06Å; K140-L142 HydrophobicContact CB-CG 4.22Å; K140-L142 PolarHBondContact O-N 3.03Å
143	F	75.6	Confident	71.2	Confident	40 Å²	40	60 Å²	60	18%	0.175	34%	0.341	C	S	.	.	S	Bend	trans	-91.1	-19.7	173.8	-58.7	-63	0	0	0	112.6	I141 I164 V217 Y221 P223	I141-F143 HydrophobicContact CG2-CE1 4.11Å; I141-F143 HydrophobicContact CG2-CE2 4.39Å; I141-F143 HydrophobicContact CG2-CZ 3.83Å; F143-I164 HydrophobicContact CE1-CD1 3.3Å; F143-I164 HydrophobicContact CZ-CD1 3.54Å; F143-V217 HydrophobicContact CD1-CG2 3.96Å; F143-Y221 WeakPolarHBondContact CB-O 3.08Å; F143-Y221 VanDerWaalsContact O-CD1 3.23Å; F143-Y221 WeakPolarHBondContact O-CD1 3Å; F143-P223 HydrophobicContact CD1-CB 3.69Å; F143-P223 HydrophobicContact CD1-CG 4.44Å; F143-P223 HydrophobicContact CD2-CB 3.93Å; F143-P223 HydrophobicContact CD2-CG 3.79Å; F143-P223 HydrophobicContact CE1-CB 3.46Å; F143-P223 VanDerWaalsContact CE1-CB 3.46Å; F143-P223 HydrophobicContact CE1-CG 4.32Å; F143-P223 HydrophobicContact CE2-CB 3.74Å; F143-P223 HydrophobicContact CE2-CG 3.67Å; F143-P223 HydrophobicContact CG-CB 3.91Å; F143-P223 HydrophobicContact CG-CG 4.18Å; F143-P223 HydrophobicContact CZ-CB 3.49Å; F143-P223 VanDerWaalsContact CZ-CB 3.49Å; F143-P223 HydrophobicContact CZ-CG 3.95Å
144	K	71.3	Confident	68.7	Low	119 Å²	119	62.4 Å²	62.4	52%	0.517	36%	0.356	S	S	.	.	S	Bend	trans	-123.5	121.6	171.9	-175.8	176.1	-173.2	177	0	107.7	Y221	K144-Y221 HydrophobicContact CB-CD1 3.79Å; K144-Y221 HydrophobicContact CB-CD2 3.9Å; K144-Y221 HydrophobicContact CB-CE1 4.28Å; K144-Y221 HydrophobicContact CB-CE2 4.38Å; K144-Y221 HydrophobicContact CB-CG 3.55Å; K144-Y221 HydrophobicContact CD-CD2 3.5Å; K144-Y221 HydrophobicContact CD-CE2 3.52Å; K144-Y221 HydrophobicContact CD-CG 4.1Å; K144-Y221 VanDerWaalsContact CE-CE2 3.42Å; K144-Y221 HydrophobicContact CG-CD1 3.93Å; K144-Y221 HydrophobicContact CG-CD2 3.65Å; K144-Y221 HydrophobicContact CG-CE1 3.93Å; K144-Y221 HydrophobicContact CG-CE2 3.65Å; K144-Y221 HydrophobicContact CG-CG 3.76Å
145	D	57.4	Low	66.1	Low	51 Å²	51	63.5 Å²	63.5	27%	0.273	37%	0.366	S	S	.	.			trans	-85.5	122	166.7	-177.3	-6.6	0	0	0	108.2	K147 S148	D145-K147 PolarHBondContact O-N 3.32Å; D145-K147 WeakPolarHBondContact OD1-CB 3.42Å; D145-K147 PolarHBondContact OD1-N 3.21Å; D145-S148 WeakPolarHBondContact CB-OG 3.48Å; D145-S148 PolarHBondContact O-OG 2.83Å
146	P	51.8	Low	63.6	Low	109 Å²	109	69.1 Å²	69.1	71%	0.708	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.1	176.2	24.1	-32.4	0	0	0	114
147	K	51.3	Low	61.6	Low	190 Å²	190	67.9 Å²	67.9	83%	0.826	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-18.7	-178.8	-64.2	-171.6	178.8	-174	0	114.4	D145 G149	D145-K147 PolarHBondContact O-N 3.32Å; D145-K147 WeakPolarHBondContact OD1-CB 3.42Å; D145-K147 PolarHBondContact OD1-N 3.21Å; K147-G149 PolarHBondContact O-N 3Å
148	S	51.8	Low	60.1	Low	20 Å²	20	69.2 Å²	69.2	14%	0.14	38%	0.381	C	S	.	.			trans	-82.7	102.7	175.6	49.4	0	0	0	0	108.8	D145 G150	D145-S148 WeakPolarHBondContact CB-OG 3.48Å; D145-S148 PolarHBondContact O-OG 2.83Å; S148-G150 PolarHBondContact O-N 3.39Å
149	G	50.6	Low	59.3	Low	88 Å²	88	66.4 Å²	66.4	91%	0.907	37%	0.369	S	S	*	.	S	Bend	trans	-69.7	47.5	173.8	0	0	0	0	0	113.3	K147	K147-G149 PolarHBondContact O-N 3Å
150	G	48.1	Very low	59	Low	19 Å²	19	66 Å²	66	20%	0.196	37%	0.367	C	S	.	.	S	Bend	trans	90.3	17.2	-178.7	0	0	0	0	0	115.3	S148 D764	S148-G150 PolarHBondContact O-N 3.39Å; G150-D764 WeakPolarHBondContact O-CB 3.36Å
151	A	44.7	Very low	59	Low	21 Å²	21	62.8 Å²	62.8	17%	0.174	35%	0.354	C	S	.	.			trans	-89.1	138.7	173.5	0	0	0	0	0	111
152	L	45.8	Very low	59.1	Low	28 Å²	28	68 Å²	68	15%	0.147	38%	0.378	C	S	.	.			trans	-56.9	144.4	176.6	-92.5	163.1	0	0	0	112.3	L18 T154 F696	L18-L152 HydrophobicContact CB-CB 4.47Å; L18-L152 HydrophobicContact CB-CD1 3.85Å; L18-L152 HydrophobicContact CD1-CB 3.74Å; L18-L152 HydrophobicContact CD1-CD1 3.35Å; L18-L152 HydrophobicContact CD1-CG 4.18Å; L18-L152 HydrophobicContact CG-CD1 4.17Å; L152-T154 PolarHBondContact O-N 2.88Å; L152-T154 VanDerWaalsContact O-N 3.11Å; L152-F696 HydrophobicContact CD1-CD2 4.45Å
153	P	44.5	Very low	59.8	Low	53 Å²	53	64.5 Å²	64.5	34%	0.344	36%	0.36	S	S	.	.			trans	44.4	48.5	137.5	34.9	-34.9	0	0	0	122.1	E157	P153-E157 VanDerWaalsContact CA-OE2 3.27Å; P153-E157 WeakPolarHBondContact CA-OE2 3.5Å; P153-E157 HydrophobicContact CB-CB 3.5Å; P153-E157 HydrophobicContact CB-CG 4.32Å; P153-E157 WeakPolarHBondContact CB-OE2 3.36Å; P153-E157 WeakPolarHBondContact CD-OE2 3.45Å; P153-E157 WeakPolarHBondContact CG-OE2 3.1Å
154	T	45.2	Very low	60.6	Low	53 Å²	53	62.7 Å²	62.7	33%	0.325	35%	0.352	S	S	.	.			trans	-58.6	158.2	171	58.3	0	0	0	0	110.9	L152 M156 E157 K158	L152-T154 PolarHBondContact O-N 2.88Å; L152-T154 VanDerWaalsContact O-N 3.11Å; T154-M156 PolarHBondContact O-N 3.43Å; T154-E157 WeakPolarHBondContact CB-OE1 3.38Å; T154-E157 PolarHBondContact N-OE1 2.74Å; T154-E157 WeakPolarHBondContact O-CA 3.17Å; T154-E157 WeakPolarHBondContact O-CB 3.23Å; T154-E157 PolarHBondContact O-N 2.76Å; T154-E157 PolarHBondContact OG1-OE1 2.84Å; T154-K158 PolarHBondContact O-N 3.45Å
155	D	42.4	Very low	61.7	Low	120 Å²	120	58.4 Å²	58.4	64%	0.642	34%	0.335	S	S	*	.	H	α-helix	trans	-58.9	-25.6	-179.1	-79.3	-28.1	0	0	0	112.7	E157 K158 T159	D155-E157 VanDerWaalsContact C-N 3.33Å; D155-E157 PolarHBondContact O-N 3.05Å; D155-K158 PolarHBondContact O-N 3.04Å; D155-K158 IonicContact OD1-NZ 3.74Å; D155-K158 PolarHBondContact OD1-NZ 3.37Å; D155-T159 PolarHBondContact O-OG1 3.27Å
156	M	42.7	Very low	63.4	Low	156 Å²	156	57 Å²	57	77%	0.768	33%	0.327	S	S	*	.	H	α-helix	trans	-63.1	-33.6	169.4	-73.3	-98.2	-76.5	0	0	113.3	T154 T159 P160	T154-M156 PolarHBondContact O-N 3.43Å; M156-T159 PolarHBondContact O-N 2.86Å; M156-T159 PolarHBondContact O-OG1 3.47Å; M156-P160 WeakPolarHBondContact O-CD 3.34Å
157	E	51.2	Low	65.4	Low	35 Å²	35	51.8 Å²	51.8	16%	0.164	29%	0.293	C	S	.	.	H	α-helix	trans	-81.3	-21.8	179.4	-67.9	163	-122.1	0	0	112.9	P153 T154 D155 T159 P160	P153-E157 VanDerWaalsContact CA-OE2 3.27Å; P153-E157 WeakPolarHBondContact CA-OE2 3.5Å; P153-E157 HydrophobicContact CB-CB 3.5Å; P153-E157 HydrophobicContact CB-CG 4.32Å; P153-E157 WeakPolarHBondContact CB-OE2 3.36Å; P153-E157 WeakPolarHBondContact CD-OE2 3.45Å; P153-E157 WeakPolarHBondContact CG-OE2 3.1Å; T154-E157 WeakPolarHBondContact CB-OE1 3.38Å; T154-E157 PolarHBondContact N-OE1 2.74Å; T154-E157 WeakPolarHBondContact O-CA 3.17Å; T154-E157 WeakPolarHBondContact O-CB 3.23Å; T154-E157 PolarHBondContact O-N 2.76Å; T154-E157 PolarHBondContact OG1-OE1 2.84Å; D155-E157 VanDerWaalsContact C-N 3.33Å; D155-E157 PolarHBondContact O-N 3.05Å; E157-T159 VanDerWaalsContact C-N 3.27Å; E157-P160 WeakPolarHBondContact O-CD 3.46Å
158	K	58.3	Low	67.5	Low	51 Å²	51	42.9 Å²	42.9	22%	0.222	26%	0.255	C	S	.	.	H	α-helix	trans	-70.3	-27.4	169.6	-67.9	178.9	-166.9	148	0	111.6	T154 D155 I161 Q162 G694	T154-K158 PolarHBondContact O-N 3.45Å; D155-K158 PolarHBondContact O-N 3.04Å; D155-K158 IonicContact OD1-NZ 3.74Å; D155-K158 PolarHBondContact OD1-NZ 3.37Å; K158-I161 PolarHBondContact O-N 3.25Å; K158-Q162 WeakPolarHBondContact O-CB 3.24Å; K158-Q162 WeakPolarHBondContact O-CG 3.27Å; K158-Q162 PolarHBondContact O-N 3.16Å; K158-G694 PolarHBondContact NZ-O 3.41Å
159	T	74.6	Confident	69.5	Low	37 Å²	37	42.5 Å²	42.5	23%	0.227	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-49.2	-178.6	-45	0	0	0	0	112.2	V139 D155 M156 E157 I161 Q162 V163	V139-T159 HydrophobicContact CG1-CG2 4.03Å; V139-T159 HydrophobicContact CG2-CG2 3.9Å; D155-T159 PolarHBondContact O-OG1 3.27Å; M156-T159 PolarHBondContact O-N 2.86Å; M156-T159 PolarHBondContact O-OG1 3.47Å; E157-T159 VanDerWaalsContact C-N 3.27Å; T159-I161 PolarHBondContact O-N 2.98Å; T159-Q162 PolarHBondContact O-N 3.5Å; T159-V163 VanDerWaalsContact O-CG2 3.28Å; T159-V163 WeakPolarHBondContact O-CG2 3.41Å; T159-V163 PolarHBondContact O-N 3.12Å
160	P	82.6	Confident	71.6	Confident	9 Å²	9	38.4 Å²	38.4	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-54.1	-44.9	172.5	-29.2	33.8	0	0	0	114.5	I141 M156 E157 V163 I164	I141-P160 HydrophobicContact CG2-CB 4.35Å; M156-P160 WeakPolarHBondContact O-CD 3.34Å; E157-P160 WeakPolarHBondContact O-CD 3.46Å; P160-V163 PolarHBondContact O-N 2.69Å; P160-I164 WeakPolarHBondContact O-CG1 3.38Å; P160-I164 PolarHBondContact O-N 2.94Å
161	I	85.9	Confident	73.7	Confident	39 Å²	39	37.6 Å²	37.6	20%	0.2	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-43	179.8	-64	178.2	0	0	0	110.4	K158 T159 V163 I164 D165 A215 V217	K158-I161 PolarHBondContact O-N 3.25Å; T159-I161 PolarHBondContact O-N 2.98Å; I161-V163 VanDerWaalsContact C-N 3.34Å; I161-V163 PolarHBondContact O-N 3.44Å; I161-I164 PolarHBondContact O-N 3.37Å; I161-D165 PolarHBondContact O-N 3.18Å; I161-A215 HydrophobicContact CG2-CB 4.06Å; I161-A215 WeakPolarHBondContact CG2-O 3.32Å; I161-V217 HydrophobicContact CD1-CG2 4.22Å; I161-V217 HydrophobicContact CG1-CG2 4.44Å
162	Q	87.6	Confident	76	Confident	117 Å²	117	36.9 Å²	36.9	55%	0.547	19%	0.194	S	C	.	.	H	α-helix	trans	-62.1	-40.8	175.8	-74	176.3	3.8	0	0	112.1	K158 T159 I164 D165 L166	K158-Q162 WeakPolarHBondContact O-CB 3.24Å; K158-Q162 WeakPolarHBondContact O-CG 3.27Å; K158-Q162 PolarHBondContact O-N 3.16Å; T159-Q162 PolarHBondContact O-N 3.5Å; Q162-I164 VanDerWaalsContact C-N 3.32Å; Q162-I164 PolarHBondContact O-N 2.91Å; Q162-D165 PolarHBondContact O-N 2.63Å; Q162-L166 WeakPolarHBondContact O-CB 3.49Å; Q162-L166 PolarHBondContact O-N 3.09Å
163	V	92.2	Very high	78.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-43.7	174.6	171.6	0	0	0	0	110.5	V50 F99 V139 I141 T159 P160 I161 L166 I167	V50-V163 HydrophobicContact CG2-CG1 4.09Å; F99-V163 HydrophobicContact CB-CG1 4.46Å; F99-V163 HydrophobicContact CD1-CG2 3.68Å; F99-V163 HydrophobicContact CD2-CG2 4.02Å; F99-V163 HydrophobicContact CE1-CG2 3.53Å; F99-V163 HydrophobicContact CE2-CG2 3.89Å; F99-V163 HydrophobicContact CG-CG1 4.34Å; F99-V163 HydrophobicContact CG-CG2 3.91Å; F99-V163 HydrophobicContact CZ-CG2 3.64Å; V139-V163 HydrophobicContact CG1-CG2 4.44Å; I141-V163 HydrophobicContact CD1-CG1 3.79Å; I141-V163 HydrophobicContact CG1-CG1 4.46Å; T159-V163 VanDerWaalsContact O-CG2 3.28Å; T159-V163 WeakPolarHBondContact O-CG2 3.41Å; T159-V163 PolarHBondContact O-N 3.12Å; P160-V163 PolarHBondContact O-N 2.69Å; I161-V163 VanDerWaalsContact C-N 3.34Å; I161-V163 PolarHBondContact O-N 3.44Å; V163-L166 WeakPolarHBondContact O-CB 3.32Å; V163-L166 PolarHBondContact O-N 2.82Å; V163-I167 HydrophobicContact CG1-CD1 3.88Å; V163-I167 HydrophobicContact CG1-CG1 4.5Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.43Å; V163-I167 PolarHBondContact O-N 2.89Å
164	I	93.2	Very high	80.5	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-68	-43.7	178.5	-64.9	169.5	0	0	0	111.2	L40 I141 F143 P160 I161 Q162 L166 I167 L168 A215	L40-I164 HydrophobicContact CD2-CD1 4.05Å; L40-I164 HydrophobicContact CD2-CG2 3.62Å; I141-I164 HydrophobicContact CG2-CD1 3.86Å; I141-I164 HydrophobicContact CG2-CG1 4.29Å; F143-I164 HydrophobicContact CE1-CD1 3.3Å; F143-I164 HydrophobicContact CZ-CD1 3.54Å; P160-I164 WeakPolarHBondContact O-CG1 3.38Å; P160-I164 PolarHBondContact O-N 2.94Å; I161-I164 PolarHBondContact O-N 3.37Å; Q162-I164 VanDerWaalsContact C-N 3.32Å; Q162-I164 PolarHBondContact O-N 2.91Å; I164-L166 PolarHBondContact O-N 2.82Å; I164-I167 PolarHBondContact O-N 3.47Å; I164-I167 VanDerWaalsContact O-N 3.12Å; I164-L168 HydrophobicContact CG2-CD1 3.83Å; I164-L168 HydrophobicContact CG2-CG 4.08Å; I164-L168 WeakPolarHBondContact O-CB 3.23Å; I164-L168 WeakPolarHBondContact O-CG 3.38Å; I164-L168 PolarHBondContact O-N 3.41Å; I164-A215 HydrophobicContact CB-CB 3.88Å; I164-A215 HydrophobicContact CG2-CB 3.55Å
165	D	93.2	Very high	82.7	Confident	28 Å²	28	34.3 Å²	34.3	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-53.7	-38.8	172.6	-89	-1.7	0	0	0	111.4	I161 Q162 A169 N188 S214 A215	I161-D165 PolarHBondContact O-N 3.18Å; Q162-D165 PolarHBondContact O-N 2.63Å; D165-A169 PolarHBondContact O-N 3.18Å; D165-N188 PolarHBondContact OD2-ND2 2.99Å; D165-S214 WeakPolarHBondContact OD1-CA 3.5Å; D165-S214 PolarHBondContact OD1-OG 2.76Å; D165-S214 PolarHBondContact OD2-OG 2.83Å; D165-A215 WeakPolarHBondContact OD1-CB 3.34Å; D165-A215 PolarHBondContact OD1-N 2.85Å
166	L	93.7	Very high	85.1	Confident	22 Å²	22	30.8 Å²	30.8	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-50	175.7	-155.6	75.6	0	0	0	112.8	A91 D93 F99 Q162 V163 I164 L168 A169 Q170	A91-L166 VanDerWaalsContact C-CD2 3.44Å; A91-L166 HydrophobicContact CB-CB 4.33Å; A91-L166 HydrophobicContact CB-CD2 3.6Å; A91-L166 HydrophobicContact CB-CG 3.94Å; A91-L166 WeakPolarHBondContact O-CD2 3.38Å; D93-L166 HydrophobicContact CB-CD1 3.58Å; F99-L166 HydrophobicContact CD2-CD2 3.49Å; F99-L166 VanDerWaalsContact CD2-CD2 3.49Å; F99-L166 HydrophobicContact CE2-CD2 4Å; Q162-L166 WeakPolarHBondContact O-CB 3.49Å; Q162-L166 PolarHBondContact O-N 3.09Å; V163-L166 WeakPolarHBondContact O-CB 3.32Å; V163-L166 PolarHBondContact O-N 2.82Å; I164-L166 PolarHBondContact O-N 2.82Å; L166-L168 VanDerWaalsContact C-N 3.35Å; L166-A169 WeakPolarHBondContact O-CB 3.22Å; L166-A169 PolarHBondContact O-N 2.68Å; L166-Q170 WeakPolarHBondContact O-CG 3.36Å; L166-Q170 PolarHBondContact O-N 3.36Å; L166-Q170 PolarHBondContact O-NE2 2.78Å
167	I	94.9	Very high	87.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-48.3	-179.9	-65.3	160.9	0	0	0	109.1	A91 V163 I164 A169 Q170 F405 L406 F409 L411	A91-I167 HydrophobicContact CB-CG1 3.94Å; V163-I167 HydrophobicContact CG1-CD1 3.88Å; V163-I167 HydrophobicContact CG1-CG1 4.5Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.43Å; V163-I167 PolarHBondContact O-N 2.89Å; I164-I167 PolarHBondContact O-N 3.47Å; I164-I167 VanDerWaalsContact O-N 3.12Å; I167-A169 PolarHBondContact O-N 3Å; I167-A169 VanDerWaalsContact O-N 3.13Å; I167-Q170 PolarHBondContact O-N 2.93Å; I167-F405 HydrophobicContact CG2-CB 4.27Å; I167-L406 HydrophobicContact CG2-CD2 3.8Å; I167-L406 HydrophobicContact CG2-CG 4.48Å; I167-F409 HydrophobicContact CD1-CB 4.08Å; I167-F409 HydrophobicContact CD1-CD1 3.37Å; I167-F409 HydrophobicContact CD1-CD2 4.3Å; I167-F409 HydrophobicContact CD1-CE1 3.77Å; I167-F409 HydrophobicContact CD1-CG 3.66Å; I167-F409 HydrophobicContact CD1-CZ 4.35Å; I167-F409 HydrophobicContact CG1-CD1 3.97Å; I167-F409 HydrophobicContact CG1-CD2 4.15Å; I167-F409 HydrophobicContact CG1-CE1 4Å; I167-F409 HydrophobicContact CG1-CE2 4.15Å; I167-F409 HydrophobicContact CG1-CG 4.03Å; I167-F409 HydrophobicContact CG1-CZ 4.08Å; I167-F409 HydrophobicContact CG2-CB 4.35Å; I167-F409 HydrophobicContact CG2-CD2 4.1Å; I167-F409 HydrophobicContact CG2-CG 4.25Å; I167-L411 HydrophobicContact CD1-CD1 4.21Å; I167-L411 HydrophobicContact CG2-CD1 4.5Å
168	L	94	Very high	89.4	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-55	-33.5	177.9	-71.6	171.2	0	0	0	112.3	I164 L166 R172 M213 A215 V225 L406 F413	I164-L168 HydrophobicContact CG2-CD1 3.83Å; I164-L168 HydrophobicContact CG2-CG 4.08Å; I164-L168 WeakPolarHBondContact O-CB 3.23Å; I164-L168 WeakPolarHBondContact O-CG 3.38Å; I164-L168 PolarHBondContact O-N 3.41Å; L166-L168 VanDerWaalsContact C-N 3.35Å; L168-R172 PolarHBondContact O-NH2 3.45Å; L168-M213 HydrophobicContact CB-CE 4.03Å; L168-M213 HydrophobicContact CD2-CE 4.08Å; L168-A215 HydrophobicContact CD1-CB 4.26Å; L168-V225 HydrophobicContact CD1-CG1 3.95Å; L168-V225 HydrophobicContact CD1-CG2 3.86Å; L168-V225 HydrophobicContact CD2-CG2 4.3Å; L168-L406 HydrophobicContact CD2-CD1 4.34Å; L168-L406 HydrophobicContact CD2-CD2 3.95Å; L168-F413 HydrophobicContact CD2-CE1 4.15Å; L168-F413 HydrophobicContact CD2-CE2 3.92Å; L168-F413 HydrophobicContact CD2-CZ 3.33Å
169	A	93.8	Very high	90.9	Very high	13 Å²	13	28 Å²	28	11%	0.107	15%	0.151	C	C	.	.	H	α-helix	trans	-74.9	-30.9	179.1	0	0	0	0	0	113.6	D165 L166 I167 G171 R172 V173 L185	D165-A169 PolarHBondContact O-N 3.18Å; L166-A169 WeakPolarHBondContact O-CB 3.22Å; L166-A169 PolarHBondContact O-N 2.68Å; I167-A169 PolarHBondContact O-N 3Å; I167-A169 VanDerWaalsContact O-N 3.13Å; A169-G171 PolarHBondContact O-N 2.86Å; A169-R172 PolarHBondContact O-N 2.89Å; A169-R172 VanDerWaalsContact O-N 3.09Å; A169-V173 WeakPolarHBondContact O-CG2 3.37Å; A169-V173 PolarHBondContact O-N 2.87Å; A169-L185 HydrophobicContact CB-CD2 4.01Å
170	Q	94.2	Very high	91.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	14%	0.143	C	C	.	.	H	α-helix	trans	-58.8	-47	-163.4	-66.6	-48	-41.6	0	0	114.3	A91 Y92 L166 I167 R172 V173 C174 F405	A91-Q170 HydrophobicContact CB-CG 3.72Å; Y92-Q170 VanDerWaalsContact N-NE2 3.13Å; Y92-Q170 PolarHBondContact O-NE2 3.26Å; L166-Q170 WeakPolarHBondContact O-CG 3.36Å; L166-Q170 PolarHBondContact O-N 3.36Å; L166-Q170 PolarHBondContact O-NE2 2.78Å; I167-Q170 PolarHBondContact O-N 2.93Å; Q170-R172 PolarHBondContact O-N 2.81Å; Q170-V173 PolarHBondContact O-N 2.99Å; Q170-C174 VanDerWaalsContact O-CB 3.3Å; Q170-C174 WeakPolarHBondContact O-CB 3.09Å; Q170-C174 PolarHBondContact O-N 2.85Å; Q170-F405 HydrophobicContact CB-CB 4.12Å; Q170-F405 HydrophobicContact CB-CD1 3.53Å; Q170-F405 HydrophobicContact CB-CD2 3.47Å; Q170-F405 VanDerWaalsContact CB-CD2 3.47Å; Q170-F405 HydrophobicContact CB-CE1 3.71Å; Q170-F405 HydrophobicContact CB-CE2 3.64Å; Q170-F405 HydrophobicContact CB-CG 3.42Å; Q170-F405 VanDerWaalsContact CB-CG 3.42Å; Q170-F405 HydrophobicContact CB-CZ 3.76Å; Q170-F405 HydrophobicContact CG-CD1 3.88Å; Q170-F405 HydrophobicContact CG-CE1 4.09Å; Q170-F405 HydrophobicContact CG-CG 4.19Å
171	G	92.3	Very high	92	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.4	-178.5	0	0	0	0	0	115.1	A169 D403	A169-G171 PolarHBondContact O-N 2.86Å; G171-D403 WeakPolarHBondContact CA-OD2 3.23Å
172	R	93	Very high	92.3	Very high	6 Å²	6	36.6 Å²	36.6	2%	0.023	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-3.3	177.2	-64.7	164.7	-65.9	161.4	11.7	113.2	L168 A169 Q170 F183 A190	L168-R172 PolarHBondContact O-NH2 3.45Å; A169-R172 PolarHBondContact O-N 2.89Å; A169-R172 VanDerWaalsContact O-N 3.09Å; Q170-R172 PolarHBondContact O-N 2.81Å; R172-F183 HydrophobicContact CB-CB 4.26Å; R172-F183 HydrophobicContact CB-CD2 4.08Å; R172-F183 HydrophobicContact CB-CG 4.19Å; R172-F183 HydrophobicContact CG-CD2 4.01Å; R172-F183 HydrophobicContact CG-CE2 4.22Å; R172-F183 HydrophobicContact CG-CG 4.32Å; R172-A190 HydrophobicContact CB-CB 4.31Å
173	V	92.1	Very high	92.6	Very high	25 Å²	25	31.9 Å²	31.9	15%	0.152	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-20.7	178.8	-61.2	0	0	0	0	115.2	A169 Q170 S175 L185	A169-V173 WeakPolarHBondContact O-CG2 3.37Å; A169-V173 PolarHBondContact O-N 2.87Å; Q170-V173 PolarHBondContact O-N 2.99Å; V173-S175 PolarHBondContact O-N 3.23Å; V173-L185 HydrophobicContact CG1-CB 3.33Å; V173-L185 HydrophobicContact CG1-CD1 4.41Å; V173-L185 HydrophobicContact CG1-CD2 3.54Å; V173-L185 HydrophobicContact CG1-CG 3.92Å
174	C	93.7	Very high	92.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.			trans	-71.9	125.5	-179.8	176.7	0	0	0	0	110.2	W74 Q170 L176 V177 S180 F405	W74-C174 HydrophobicContact CD2-CB 4.26Å; W74-C174 HydrophobicContact CZ2-CB 4.07Å; Q170-C174 VanDerWaalsContact O-CB 3.3Å; Q170-C174 WeakPolarHBondContact O-CB 3.09Å; Q170-C174 PolarHBondContact O-N 2.85Å; C174-L176 PolarHBondContact O-N 3.3Å; C174-L176 VanDerWaalsContact SG-CB 3.6Å; C174-L176 PolarHBondContact SG-N 3.42Å; C174-V177 HydrophobicContact CB-CG2 4.31Å; C174-V177 PolarHBondContact O-N 3.4Å; C174-V177 VanDerWaalsContact O-N 3.09Å; C174-S180 WeakPolarHBondContact O-CB 3.35Å; C174-S180 PolarHBondContact O-OG 3.12Å; C174-F405 HydrophobicContact CB-CE2 3.88Å; C174-F405 HydrophobicContact CB-CZ 3.58Å
175	S	91.7	Very high	92.5	Very high	55 Å²	55	34.1 Å²	34.1	39%	0.385	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-12.9	-178.4	57.8	0	0	0	0	113.8	W74 V173 V177	W74-S175 WeakPolarHBondContact CB-OG 3.49Å; V173-S175 PolarHBondContact O-N 3.23Å; S175-V177 VanDerWaalsContact C-N 3.27Å
176	L	93.2	Very high	92.4	Very high	46 Å²	46	34.5 Å²	34.5	24%	0.241	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-27	170.6	-55.1	180	0	0	0	111.8	W74 V77 K78 P87 C174	W74-L176 HydrophobicContact CE3-CD1 3.68Å; W74-L176 HydrophobicContact CE3-CG 4.15Å; W74-L176 HydrophobicContact CZ3-CD1 4.04Å; V77-L176 HydrophobicContact CG1-CD1 4.01Å; K78-L176 HydrophobicContact CB-CD2 3.85Å; K78-L176 HydrophobicContact CD-CD2 4.17Å; K78-L176 HydrophobicContact CG-CD2 4.12Å; P87-L176 HydrophobicContact CB-CD1 3.65Å; P87-L176 HydrophobicContact CG-CD1 4.2Å; C174-L176 PolarHBondContact O-N 3.3Å; C174-L176 VanDerWaalsContact SG-CB 3.6Å; C174-L176 PolarHBondContact SG-N 3.42Å
177	V	92.9	Very high	92	Very high	8 Å²	8	37 Å²	37	5%	0.048	20%	0.195	C	C	.	.	S	Bend	trans	-89.1	109	176.2	-169.6	0	0	0	0	108.9	F88 C174 S175 R179 S180 F405	F88-V177 HydrophobicContact CE1-CG2 3.85Å; C174-V177 HydrophobicContact CB-CG2 4.31Å; C174-V177 PolarHBondContact O-N 3.4Å; C174-V177 VanDerWaalsContact O-N 3.09Å; S175-V177 VanDerWaalsContact C-N 3.27Å; V177-R179 HydrophobicContact CG1-CG 3.64Å; V177-R179 PolarHBondContact O-N 3.22Å; V177-S180 VanDerWaalsContact O-CB 3.3Å; V177-S180 WeakPolarHBondContact O-CB 3.39Å; V177-S180 PolarHBondContact O-N 3.35Å; V177-S180 PolarHBondContact O-OG 3.31Å; V177-F405 HydrophobicContact CG2-CE2 3.73Å; V177-F405 HydrophobicContact CG2-CZ 4.49Å
178	N	89.5	Confident	91.9	Very high	132 Å²	132	39.6 Å²	39.6	71%	0.706	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-52.2	-35.9	-176.4	-83.3	-27.4	0	0	0	114.1	S180	N178-S180 PolarHBondContact O-N 3.26Å
179	R	89.7	Confident	91.9	Very high	44 Å²	44	40 Å²	40	17%	0.166	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-67.4	-19.7	180	81.4	-154.2	178.6	179.1	11.7	113.8	V177 K181 R182 F183 N399 D403	V177-R179 HydrophobicContact CG1-CG 3.64Å; V177-R179 PolarHBondContact O-N 3.22Å; R179-K181 PolarHBondContact O-N 3.11Å; R179-K181 VanDerWaalsContact O-N 3.17Å; R179-R182 WeakPolarHBondContact O-CB 3.41Å; R179-R182 PolarHBondContact O-N 3.1Å; R179-R182 VanDerWaalsContact O-N 3.11Å; R179-F183 WeakPolarHBondContact O-CD2 3.17Å; R179-N399 PolarHBondContact NH1-ND2 3.09Å; R179-N399 VanDerWaalsContact NH1-ND2 3.11Å; R179-N399 PolarHBondContact NH1-O 2.9Å; R179-N399 PolarHBondContact NH2-O 3.07Å; R179-N399 VanDerWaalsContact NH2-O 3.1Å; R179-D403 IonicContact NH2-OD2 2.77Å; R179-D403 PolarHBondContact NH2-OD2 3.43Å
180	S	91	Very high	92	Very high	9 Å²	9	39.5 Å²	39.5	6%	0.063	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-60.9	-26.6	-178.6	68.2	0	0	0	0	112.9	C174 V177 N178 R182 F183	C174-S180 WeakPolarHBondContact O-CB 3.35Å; C174-S180 PolarHBondContact O-OG 3.12Å; V177-S180 VanDerWaalsContact O-CB 3.3Å; V177-S180 WeakPolarHBondContact O-CB 3.39Å; V177-S180 PolarHBondContact O-N 3.35Å; V177-S180 PolarHBondContact O-OG 3.31Å; N178-S180 PolarHBondContact O-N 3.26Å; S180-R182 PolarHBondContact O-N 3.22Å; S180-R182 VanDerWaalsContact O-N 3.15Å; S180-F183 PolarHBondContact O-N 2.64Å
181	K	90.3	Very high	92.1	Very high	146 Å²	146	40.1 Å²	40.1	64%	0.635	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-58.4	-27.6	176.6	-66.4	179.9	-179.2	175.4	0	113.5	R179 F183 K360	R179-K181 PolarHBondContact O-N 3.11Å; R179-K181 VanDerWaalsContact O-N 3.17Å; K181-F183 PolarHBondContact O-N 2.79Å; K181-K360 PolarHBondContact O-NZ 3.08Å
182	R	91.9	Very high	92.1	Very high	111 Å²	111	42.3 Å²	42.3	42%	0.419	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-73.4	-10.1	176.9	-62.6	-177.9	170.5	168.1	-0.1	113.3	R179 S180 E192 V193	R179-R182 WeakPolarHBondContact O-CB 3.41Å; R179-R182 PolarHBondContact O-N 3.1Å; R179-R182 VanDerWaalsContact O-N 3.11Å; S180-R182 PolarHBondContact O-N 3.22Å; S180-R182 VanDerWaalsContact O-N 3.15Å; R182-E192 WeakPolarHBondContact O-CA 3.49Å; R182-V193 PolarHBondContact O-N 2.78Å
183	F	94.2	Very high	92.2	Very high	17 Å²	17	43.5 Å²	43.5	8%	0.075	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.5	-175.5	-57.5	-75.5	0	0	0	111.7	R172 R179 S180 K181 A190 Y191 A398	R172-F183 HydrophobicContact CB-CB 4.26Å; R172-F183 HydrophobicContact CB-CD2 4.08Å; R172-F183 HydrophobicContact CB-CG 4.19Å; R172-F183 HydrophobicContact CG-CD2 4.01Å; R172-F183 HydrophobicContact CG-CE2 4.22Å; R172-F183 HydrophobicContact CG-CG 4.32Å; R179-F183 WeakPolarHBondContact O-CD2 3.17Å; S180-F183 PolarHBondContact O-N 2.64Å; K181-F183 PolarHBondContact O-N 2.79Å; F183-A190 HydrophobicContact CB-CB 4.49Å; F183-A190 HydrophobicContact CD1-CB 4.42Å; F183-Y191 CarbonylContact C-O 3.54Å; F183-Y191 VanDerWaalsContact CA-O 3.25Å; F183-Y191 WeakPolarHBondContact CA-O 3.49Å; F183-A398 HydrophobicContact CE1-CB 4.5Å; F183-A398 HydrophobicContact CZ-CB 3.96Å
184	F	92.4	Very high	92.1	Very high	27 Å²	27	44.2 Å²	44.2	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112.2	170	-174.6	-103.4	0	0	0	109	E67 I186 Y191 V193 W208 F234 K360	E67-F184 WeakPolarHBondContact OE2-CE2 3.38Å; F184-I186 HydrophobicContact CD1-CD1 3.86Å; F184-I186 HydrophobicContact CD1-CG1 3.68Å; F184-I186 HydrophobicContact CE1-CD1 3.61Å; F184-I186 HydrophobicContact CE1-CG1 3.55Å; F184-Y191 PolarHBondContact N-O 2.69Å; F184-Y191 PolarHBondContact O-N 3.22Å; F184-V193 HydrophobicContact CB-CG2 4.38Å; F184-W208 HydrophobicContact CB-CZ3 4.1Å; F184-F234 AromaticContact CD1-CE1 3.55Å; F184-F234 HydrophobicContact CD1-CE1 3.55Å; F184-F234 AromaticContact CD1-CZ 3.75Å; F184-F234 HydrophobicContact CD1-CZ 3.75Å; F184-F234 AromaticContact CE1-CE1 3.79Å; F184-F234 HydrophobicContact CE1-CE1 3.79Å; F184-F234 HydrophobicContact CE1-CZ 4.25Å; F184-F234 HydrophobicContact CG-CE1 4.42Å; F184-K360 HydrophobicContact CD2-CB 3.85Å; F184-K360 HydrophobicContact CD2-CD 3.95Å; F184-K360 HydrophobicContact CD2-CG 4.17Å; F184-K360 HydrophobicContact CE2-CB 3.9Å; F184-K360 HydrophobicContact CG-CB 4.41Å
185	L	91.6	Very high	91.8	Very high	23 Å²	23	52 Å²	52	12%	0.12	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.1	-175.1	-172.4	81.1	0	0	0	111.5	A169 V173 A187 S189 A190	A169-L185 HydrophobicContact CB-CD2 4.01Å; V173-L185 HydrophobicContact CG1-CB 3.33Å; V173-L185 HydrophobicContact CG1-CD1 4.41Å; V173-L185 HydrophobicContact CG1-CD2 3.54Å; V173-L185 HydrophobicContact CG1-CG 3.92Å; L185-A187 WeakPolarHBondContact CD1-O 3.3Å; L185-A187 WeakPolarHBondContact CD2-O 3.37Å; L185-A187 VanDerWaalsContact CG-O 3.31Å; L185-A187 WeakPolarHBondContact CG-O 3.32Å; L185-S189 WeakPolarHBondContact CA-O 3.3Å; L185-A190 HydrophobicContact CD1-CB 4.03Å
186	I	89.5	Confident	91.4	Very high	35 Å²	35	61.2 Å²	61.2	18%	0.179	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	112.3	169.7	-46.3	-174.8	0	0	0	108.2	F184 N188 S189 Y191 F234 R362	F184-I186 HydrophobicContact CD1-CD1 3.86Å; F184-I186 HydrophobicContact CD1-CG1 3.68Å; F184-I186 HydrophobicContact CE1-CD1 3.61Å; F184-I186 HydrophobicContact CE1-CG1 3.55Å; I186-N188 PolarHBondContact O-N 2.51Å; I186-S189 PolarHBondContact N-O 2.92Å; I186-S189 PolarHBondContact O-N 2.71Å; I186-Y191 HydrophobicContact CB-CD2 4.33Å; I186-Y191 HydrophobicContact CB-CE2 3.92Å; I186-Y191 HydrophobicContact CD1-CD2 4.04Å; I186-Y191 HydrophobicContact CD1-CE2 3.98Å; I186-Y191 HydrophobicContact CG1-CD2 3.93Å; I186-Y191 HydrophobicContact CG1-CE2 3.96Å; I186-F234 HydrophobicContact CD1-CE1 4.29Å; I186-F234 HydrophobicContact CD1-CZ 3.79Å; I186-R362 HydrophobicContact CD1-CB 4.1Å; I186-R362 HydrophobicContact CD1-CG 4.08Å
187	A	87.1	Confident	91	Very high	75 Å²	75	61.1 Å²	61.1	62%	0.62	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	-121.3	-169	0	0	0	0	0	110.2	L185	L185-A187 WeakPolarHBondContact CD1-O 3.3Å; L185-A187 WeakPolarHBondContact CD2-O 3.37Å; L185-A187 VanDerWaalsContact CG-O 3.31Å; L185-A187 WeakPolarHBondContact CG-O 3.32Å
188	N	91.9	Very high	90.8	Very high	54 Å²	54	61.5 Å²	61.5	29%	0.289	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	8	-177.3	-72.6	9.3	0	0	0	113.4	D165 I186 F212 M213 S214	D165-N188 PolarHBondContact OD2-ND2 2.99Å; I186-N188 PolarHBondContact O-N 2.51Å; N188-F212 HydrophobicContact CB-CD2 3.98Å; N188-F212 HydrophobicContact CB-CE2 3.65Å; N188-F212 HydrophobicContact CB-CZ 4.42Å; N188-F212 WeakPolarHBondContact O-CA 3.19Å; N188-M213 WeakPolarHBondContact CB-O 2.91Å; N188-M213 PolarHBondContact O-N 3.33Å; N188-S214 PolarHBondContact ND2-OG 3.06Å
189	S	94.9	Very high	91	Very high	11 Å²	11	58.2 Å²	58.2	8%	0.077	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.2	179.4	-64	0	0	0	0	111.6	L185 I186 L211	L185-S189 WeakPolarHBondContact CA-O 3.3Å; I186-S189 PolarHBondContact N-O 2.92Å; I186-S189 PolarHBondContact O-N 2.71Å; S189-L211 WeakPolarHBondContact CA-O 3.29Å
190	A	94.8	Very high	91.2	Very high	2 Å²	2	59.1 Å²	59.1	2%	0.017	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	110.6	171.4	0	0	0	0	0	109.6	R172 F183 L185 G210 L211	R172-A190 HydrophobicContact CB-CB 4.31Å; F183-A190 HydrophobicContact CB-CB 4.49Å; F183-A190 HydrophobicContact CD1-CB 4.42Å; L185-A190 HydrophobicContact CD1-CB 4.03Å; A190-G210 CarbonylContact O-C 3.48Å; A190-G210 WeakPolarHBondContact O-CA 3.09Å; A190-L211 PolarHBondContact N-O 3.04Å; A190-L211 PolarHBondContact O-N 2.9Å
191	Y	95.5	Very high	91.3	Very high	15 Å²	15	58.8 Å²	58.8	6%	0.059	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.2	178.5	-63.2	-83.3	0	0	0	110.9	F183 F184 I186 S230 A232 F234	F183-Y191 CarbonylContact C-O 3.54Å; F183-Y191 VanDerWaalsContact CA-O 3.25Å; F183-Y191 WeakPolarHBondContact CA-O 3.49Å; F184-Y191 PolarHBondContact N-O 2.69Å; F184-Y191 PolarHBondContact O-N 3.22Å; I186-Y191 HydrophobicContact CB-CD2 4.33Å; I186-Y191 HydrophobicContact CB-CE2 3.92Å; I186-Y191 HydrophobicContact CD1-CD2 4.04Å; I186-Y191 HydrophobicContact CD1-CE2 3.98Å; I186-Y191 HydrophobicContact CG1-CD2 3.93Å; I186-Y191 HydrophobicContact CG1-CE2 3.96Å; Y191-S230 WeakPolarHBondContact CE1-OG 3.43Å; Y191-A232 HydrophobicContact CD1-CB 3.99Å; Y191-A232 HydrophobicContact CE1-CB 3.41Å; Y191-A232 VanDerWaalsContact CE1-CB 3.41Å; Y191-A232 HydrophobicContact CE2-CB 4.14Å; Y191-A232 VanDerWaalsContact CZ-CB 3.48Å; Y191-F234 HydrophobicContact CD1-CE2 4.41Å; Y191-F234 HydrophobicContact CD2-CZ 4.28Å; Y191-F234 HydrophobicContact CG-CE2 4.12Å; Y191-F234 HydrophobicContact CG-CZ 4.21Å
192	E	94.2	Very high	91.4	Very high	48 Å²	48	55.3 Å²	55.3	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.6	175.5	-175.1	170.9	-155.1	0	0	110.2	R182 P194 R209 W397	R182-E192 WeakPolarHBondContact O-CA 3.49Å; E192-P194 WeakPolarHBondContact O-CD 3.3Å; E192-R209 PolarHBondContact N-O 2.8Å; E192-W397 PolarHBondContact OE1-NE1 2.92Å
193	V	93.9	Very high	91.5	Very high	31 Å²	31	52.2 Å²	52.2	19%	0.188	28%	0.276	C	S	.	.			trans	-81.6	113.3	174.1	-176.9	0	0	0	0	107	R182 F184 E195 W208	R182-V193 PolarHBondContact O-N 2.78Å; F184-V193 HydrophobicContact CB-CG2 4.38Å; V193-E195 PolarHBondContact O-N 3.34Å; V193-W208 HydrophobicContact CB-CH2 4.26Å; V193-W208 HydrophobicContact CB-CZ3 4.23Å; V193-W208 HydrophobicContact CG1-CH2 3.92Å; V193-W208 HydrophobicContact CG1-CZ2 4.47Å; V193-W208 HydrophobicContact CG1-CZ3 4.39Å; V193-W208 HydrophobicContact CG2-CH2 4.08Å; V193-W208 HydrophobicContact CG2-CZ3 3.77Å
194	P	91.1	Very high	91.4	Very high	39 Å²	39	51.4 Å²	51.4	25%	0.253	27%	0.272	S	S	.	.			trans	-73.6	127.9	-173	28	-32.6	0	0	0	111.7	E192 W208	E192-P194 WeakPolarHBondContact O-CD 3.3Å; P194-W208 HydrophobicContact CG-CD2 4.42Å; P194-W208 HydrophobicContact CG-CG 4.45Å; P194-W208 HydrophobicContact CG-CZ2 4.29Å
195	E	86	Confident	91.6	Very high	165 Å²	165	50.1 Å²	50.1	77%	0.771	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-31.7	177.7	-65.7	-177.9	172.7	0	0	113	V193	V193-E195 PolarHBondContact O-N 3.34Å
196	R	84.7	Confident	91.8	Very high	248 Å²	248	49.2 Å²	49.2	94%	0.936	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	23.4	-178.4	-61.1	-174.4	-177.1	-172.4	0.2	113.5
197	G	83.7	Confident	92	Very high	43 Å²	43	47.9 Å²	47.9	44%	0.443	26%	0.255	S	S	.	.			trans	79.9	152.5	-173.9	0	0	0	0	0	113.4
198	G	88.7	Confident	92.4	Very high	17 Å²	17	44.6 Å²	44.6	18%	0.175	23%	0.227	C	C	.	.			trans	-81.6	177.7	-179.7	0	0	0	0	0	113	N200 E206	G198-N200 PolarHBondContact O-N 3Å; G198-N200 VanDerWaalsContact O-N 3.17Å; G198-E206 VanDerWaalsContact N-CD 3.27Å; G198-E206 PolarHBondContact N-OE1 2.98Å; G198-E206 PolarHBondContact N-OE2 3.35Å
199	V	93.5	Very high	92.6	Very high	62 Å²	62	47.4 Å²	47.4	38%	0.376	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	119.8	176.4	-179.8	0	0	0	0	109.5	L201 E206 L207 Q379	V199-L201 PolarHBondContact O-N 2.7Å; V199-E206 CarbonylContact O-C 3.52Å; V199-E206 WeakPolarHBondContact O-CA 3.02Å; V199-L207 HydrophobicContact CB-CB 4.18Å; V199-L207 PolarHBondContact N-O 3.3Å; V199-L207 PolarHBondContact O-N 3.38Å; V199-Q379 HydrophobicContact CG1-CG 3.86Å
200	N	93.4	Very high	92.6	Very high	64 Å²	64	46.9 Å²	46.9	34%	0.342	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	118	-176.1	-166	-9.8	0	0	0	111.9	G198 K202 R236	G198-N200 PolarHBondContact O-N 3Å; G198-N200 VanDerWaalsContact O-N 3.17Å; N200-K202 WeakPolarHBondContact OD1-CA 3.2Å; N200-K202 PolarHBondContact OD1-N 3.2Å; N200-R236 PolarHBondContact ND2-NH1 2.83Å; N200-R236 PolarHBondContact ND2-NH2 2.71Å; N200-R236 PolarHBondContact OD1-NH2 2.85Å
201	L	93.6	Very high	92.6	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.23	C	C	.	.			trans	-100.6	14.1	172.7	-60.9	-177.3	0	0	0	112.3	V199 V205 L207 P233 Q372 L375 V376	V199-L201 PolarHBondContact O-N 2.7Å; L201-V205 WeakPolarHBondContact CA-O 3.2Å; L201-V205 HydrophobicContact CB-CB 4.21Å; L201-V205 HydrophobicContact CB-CG1 4.31Å; L201-V205 WeakPolarHBondContact CB-O 3.42Å; L201-V205 HydrophobicContact CD1-CG1 4.15Å; L201-V205 PolarHBondContact N-O 2.95Å; L201-L207 HydrophobicContact CD1-CB 3.92Å; L201-L207 HydrophobicContact CD1-CD1 4.19Å; L201-L207 HydrophobicContact CD2-CB 4.19Å; L201-L207 HydrophobicContact CG-CB 4.04Å; L201-P233 HydrophobicContact CD1-CB 4.03Å; L201-Q372 WeakPolarHBondContact O-CG 3.47Å; L201-Q372 PolarHBondContact O-NE2 2.8Å; L201-Q372 VanDerWaalsContact O-NE2 3.15Å; L201-L375 HydrophobicContact CD2-CB 3.9Å; L201-V376 HydrophobicContact CD1-CG2 3.57Å; L201-V376 HydrophobicContact CD2-CG2 3.73Å; L201-V376 HydrophobicContact CG-CG2 4.32Å
202	K	93	Very high	92.7	Very high	74 Å²	74	47 Å²	47	32%	0.322	23%	0.23	S	C	.	.	S	Bend	trans	59.3	-179.3	-172.5	-56.4	-70.5	-172.5	164.3	0	112	N200 G204 V205 G250 F371 Q372	N200-K202 WeakPolarHBondContact OD1-CA 3.2Å; N200-K202 PolarHBondContact OD1-N 3.2Å; K202-G204 PolarHBondContact O-N 2.91Å; K202-G204 VanDerWaalsContact O-N 3.07Å; K202-V205 WeakPolarHBondContact O-CB 3.5Å; K202-V205 PolarHBondContact O-N 3.09Å; K202-G250 WeakPolarHBondContact CB-O 3.28Å; K202-F371 HydrophobicContact CB-CE1 4.31Å; K202-F371 HydrophobicContact CG-CE1 3.7Å; K202-F371 HydrophobicContact CG-CZ 4.36Å; K202-Q372 PolarHBondContact O-NE2 3Å
203	F	93.1	Very high	92.7	Very high	45 Å²	45	45 Å²	45	20%	0.197	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	25.6	179.6	-51.2	-99	0	0	0	114	V205 G250 D251 F371 Q372	F203-V205 VanDerWaalsContact C-N 3.28Å; F203-V205 HydrophobicContact CB-CG2 4.48Å; F203-V205 PolarHBondContact O-N 3.35Å; F203-G250 VanDerWaalsContact CZ-C 3.42Å; F203-D251 HydrophobicContact CE2-CB 4.2Å; F203-D251 HydrophobicContact CZ-CB 4.18Å; F203-F371 HydrophobicContact CE2-CD1 4.37Å; F203-Q372 HydrophobicContact CD2-CG 3.95Å; F203-Q372 HydrophobicContact CE2-CG 4.14Å
204	G	93.8	Very high	92.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	24.8	-176.2	0	0	0	0	0	114.2	K202 R236 D246	K202-G204 PolarHBondContact O-N 2.91Å; K202-G204 VanDerWaalsContact O-N 3.07Å; G204-R236 PolarHBondContact O-N 3.41Å; G204-D246 WeakPolarHBondContact CA-OD2 3.43Å; G204-D246 PolarHBondContact N-OD2 3.46Å
205	V	95.1	Very high	92.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.7	179.8	-171	0	0	0	0	109.4	L201 K202 F203 P233 F234 Y363	L201-V205 WeakPolarHBondContact CA-O 3.2Å; L201-V205 HydrophobicContact CB-CB 4.21Å; L201-V205 HydrophobicContact CB-CG1 4.31Å; L201-V205 WeakPolarHBondContact CB-O 3.42Å; L201-V205 HydrophobicContact CD1-CG1 4.15Å; L201-V205 PolarHBondContact N-O 2.95Å; K202-V205 WeakPolarHBondContact O-CB 3.5Å; K202-V205 PolarHBondContact O-N 3.09Å; F203-V205 VanDerWaalsContact C-N 3.28Å; F203-V205 HydrophobicContact CB-CG2 4.48Å; F203-V205 PolarHBondContact O-N 3.35Å; V205-P233 HydrophobicContact CG1-CB 3.8Å; V205-F234 CarbonylContact C-O 3.55Å; V205-F234 WeakPolarHBondContact CA-O 3.48Å; V205-F234 WeakPolarHBondContact CG1-O 3.35Å; V205-Y363 HydrophobicContact CB-CD2 4.41Å; V205-Y363 HydrophobicContact CG1-CD1 4.41Å; V205-Y363 HydrophobicContact CG1-CD2 4.1Å; V205-Y363 HydrophobicContact CG1-CG 3.92Å; V205-Y363 HydrophobicContact CG2-CD1 4.49Å; V205-Y363 HydrophobicContact CG2-CD2 3.39Å; V205-Y363 HydrophobicContact CG2-CE1 4.48Å; V205-Y363 HydrophobicContact CG2-CE2 3.37Å; V205-Y363 HydrophobicContact CG2-CG 3.99Å
206	E	95.4	Very high	93.1	Very high	4 Å²	4	38 Å²	38	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.5	173.4	58	-179.6	-145.5	0	0	111.8	G198 V199 W208 P233 F234 R236	G198-E206 VanDerWaalsContact N-CD 3.27Å; G198-E206 PolarHBondContact N-OE1 2.98Å; G198-E206 PolarHBondContact N-OE2 3.35Å; V199-E206 CarbonylContact O-C 3.52Å; V199-E206 WeakPolarHBondContact O-CA 3.02Å; E206-W208 PolarHBondContact OE1-NE1 3.05Å; E206-P233 CarbonylContact O-C 3.46Å; E206-P233 WeakPolarHBondContact O-CA 3.47Å; E206-F234 PolarHBondContact N-O 2.82Å; E206-F234 PolarHBondContact O-N 3.03Å; E206-R236 HydrophobicContact CG-CB 4.18Å; E206-R236 IonicContact OE2-NE 3.25Å; E206-R236 PolarHBondContact OE2-NE 2.68Å
207	L	95.4	Very high	93.3	Very high	8 Å²	8	28 Å²	28	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.2	179.5	-168.1	66.7	0	0	0	110	V199 L201 H231 V376 Q379	V199-L207 HydrophobicContact CB-CB 4.18Å; V199-L207 PolarHBondContact N-O 3.3Å; V199-L207 PolarHBondContact O-N 3.38Å; L201-L207 HydrophobicContact CD1-CB 3.92Å; L201-L207 HydrophobicContact CD1-CD1 4.19Å; L201-L207 HydrophobicContact CD2-CB 4.19Å; L201-L207 HydrophobicContact CG-CB 4.04Å; L207-H231 HydrophobicContact CD1-CB 3.89Å; L207-H231 HydrophobicContact CD2-CB 4.22Å; L207-H231 HydrophobicContact CG-CB 4.12Å; L207-V376 HydrophobicContact CD1-CG1 4.27Å; L207-V376 HydrophobicContact CD1-CG2 4.08Å; L207-V376 HydrophobicContact CD2-CG1 4.41Å; L207-V376 HydrophobicContact CD2-CG2 4.46Å; L207-Q379 HydrophobicContact CD2-CB 4.01Å
208	W	95.4	Very high	93.6	Very high	6 Å²	6	25.9 Å²	25.9	2%	0.023	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.7	172.1	-64.9	8.7	0	0	0	110	F184 V193 P194 E206 H231 A232 F234 K360	F184-W208 HydrophobicContact CB-CZ3 4.1Å; V193-W208 HydrophobicContact CB-CH2 4.26Å; V193-W208 HydrophobicContact CB-CZ3 4.23Å; V193-W208 HydrophobicContact CG1-CH2 3.92Å; V193-W208 HydrophobicContact CG1-CZ2 4.47Å; V193-W208 HydrophobicContact CG1-CZ3 4.39Å; V193-W208 HydrophobicContact CG2-CH2 4.08Å; V193-W208 HydrophobicContact CG2-CZ3 3.77Å; P194-W208 HydrophobicContact CG-CD2 4.42Å; P194-W208 HydrophobicContact CG-CG 4.45Å; P194-W208 HydrophobicContact CG-CZ2 4.29Å; E206-W208 PolarHBondContact OE1-NE1 3.05Å; W208-H231 VanDerWaalsContact O-CA 3.25Å; W208-H231 WeakPolarHBondContact O-CA 3.48Å; W208-A232 PolarHBondContact N-O 2.93Å; W208-A232 PolarHBondContact O-N 2.72Å; W208-F234 HydrophobicContact CB-CD2 3.68Å; W208-F234 HydrophobicContact CB-CE2 3.77Å; W208-F234 HydrophobicContact CD2-CB 4.12Å; W208-F234 HydrophobicContact CD2-CD1 4.14Å; W208-F234 AromaticContact CD2-CD2 3.43Å; W208-F234 HydrophobicContact CD2-CD2 3.43Å; W208-F234 VanDerWaalsContact CD2-CD2 3.43Å; W208-F234 HydrophobicContact CD2-CE1 4.44Å; W208-F234 AromaticContact CD2-CE2 3.78Å; W208-F234 HydrophobicContact CD2-CE2 3.78Å; W208-F234 AromaticContact CD2-CG 3.64Å; W208-F234 HydrophobicContact CD2-CG 3.64Å; W208-F234 HydrophobicContact CD2-CZ 4.26Å; W208-F234 AromaticContact CE2-CG 3.81Å; W208-F234 AromaticContact CE3-CD1 3.98Å; W208-F234 HydrophobicContact CE3-CD1 3.98Å; W208-F234 AromaticContact CE3-CD2 3.75Å; W208-F234 HydrophobicContact CE3-CD2 3.75Å; W208-F234 AromaticContact CE3-CE1 3.87Å; W208-F234 HydrophobicContact CE3-CE1 3.87Å; W208-F234 AromaticContact CE3-CE2 3.63Å; W208-F234 HydrophobicContact CE3-CE2 3.63Å; W208-F234 AromaticContact CE3-CG 3.93Å; W208-F234 HydrophobicContact CE3-CG 3.93Å; W208-F234 AromaticContact CE3-CZ 3.69Å; W208-F234 HydrophobicContact CE3-CZ 3.69Å; W208-F234 HydrophobicContact CG-CB 4.34Å; W208-F234 AromaticContact CG-CD2 3.41Å; W208-F234 HydrophobicContact CG-CD2 3.41Å; W208-F234 VanDerWaalsContact CG-CD2 3.41Å; W208-F234 AromaticContact CG-CE2 3.87Å; W208-F234 HydrophobicContact CG-CE2 3.87Å; W208-F234 HydrophobicContact CG-CG 4Å; W208-F234 HydrophobicContact CH2-CD1 4.19Å; W208-F234 HydrophobicContact CH2-CE1 4.5Å; W208-F234 HydrophobicContact CZ2-CB 4.25Å; W208-F234 HydrophobicContact CZ2-CD1 4.34Å; W208-F234 HydrophobicContact CZ2-CG 4.26Å; W208-F234 AromaticContact CZ3-CD1 4Å; W208-F234 HydrophobicContact CZ3-CD1 4Å; W208-F234 AromaticContact CZ3-CE1 3.9Å; W208-F234 HydrophobicContact CZ3-CE1 3.9Å; W208-F234 HydrophobicContact CZ3-CE2 4.48Å; W208-F234 HydrophobicContact CZ3-CG 4.34Å; W208-F234 HydrophobicContact CZ3-CZ 4.15Å; W208-K360 HydrophobicContact CH2-CG 4.06Å; W208-K360 HydrophobicContact CZ3-CG 4.48Å
209	R	94.8	Very high	93.6	Very high	112 Å²	112	26.8 Å²	26.8	42%	0.423	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.9	173.1	-174.2	171.7	60.6	-161.5	-1.1	109.2	E192 V229 M394	E192-R209 PolarHBondContact N-O 2.8Å; R209-V229 HydrophobicContact CG-CG1 3.9Å; R209-M394 HydrophobicContact CG-CE 3.97Å; R209-M394 HydrophobicContact CG-SD 4.01Å
210	G	94.9	Very high	93.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	166	-178.4	0	0	0	0	0	112.9	A190 S230	A190-G210 CarbonylContact O-C 3.48Å; A190-G210 WeakPolarHBondContact O-CA 3.09Å; G210-S230 VanDerWaalsContact C-OG 3.28Å; G210-S230 PolarHBondContact N-O 2.66Å; G210-S230 PolarHBondContact O-N 3.29Å; G210-S230 VanDerWaalsContact O-O 3.13Å; G210-S230 PolarHBondContact O-OG 3.09Å; G210-S230 VanDerWaalsContact O-OG 3.09Å
211	L	95.6	Very high	92.9	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.031	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.4	178.4	-166.7	66.1	0	0	0	109.5	S189 A190 M213 I227 M394 M395 L400	S189-L211 WeakPolarHBondContact CA-O 3.29Å; A190-L211 PolarHBondContact N-O 3.04Å; A190-L211 PolarHBondContact O-N 2.9Å; L211-M213 HydrophobicContact CD2-CG 4.15Å; L211-M213 HydrophobicContact CD2-SD 3.8Å; L211-M213 HydrophobicContact CG-CG 4.07Å; L211-M213 HydrophobicContact CG-SD 4.39Å; L211-I227 HydrophobicContact CD1-CG2 3.44Å; L211-I227 VanDerWaalsContact CD1-CG2 3.44Å; L211-I227 HydrophobicContact CD2-CG2 4.17Å; L211-I227 HydrophobicContact CG-CG2 3.89Å; L211-M394 HydrophobicContact CB-CE 4.11Å; L211-M394 HydrophobicContact CD1-CB 3.93Å; L211-M394 HydrophobicContact CD1-SD 4.4Å; L211-M394 HydrophobicContact CD2-CB 4.32Å; L211-M395 HydrophobicContact CD2-CG 3.87Å; L211-L400 HydrophobicContact CD2-CD1 4.1Å
212	F	96.7	Very high	92.5	Very high	15 Å²	15	29.5 Å²	29.5	7%	0.066	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	135.3	166.9	172.3	-89.9	0	0	0	109.1	N188 S214 I227 D228 H732	N188-F212 HydrophobicContact CB-CD2 3.98Å; N188-F212 HydrophobicContact CB-CE2 3.65Å; N188-F212 HydrophobicContact CB-CZ 4.42Å; N188-F212 WeakPolarHBondContact O-CA 3.19Å; F212-S214 VanDerWaalsContact CZ-CB 3.5Å; F212-I227 VanDerWaalsContact O-CA 3.32Å; F212-I227 WeakPolarHBondContact O-CA 3.34Å; F212-D228 HydrophobicContact CB-CB 4.39Å; F212-D228 WeakPolarHBondContact CB-O 3.32Å; F212-D228 HydrophobicContact CD1-CB 4.35Å; F212-D228 PolarHBondContact N-O 2.92Å; F212-D228 PolarHBondContact O-N 3.34Å; F212-H732 HydrophobicContact CD1-CB 3.58Å; F212-H732 AromaticContact CD1-CD2 3.76Å; F212-H732 AromaticContact CD1-CG 3.35Å; F212-H732 AromaticContact CD1-ND1 3.61Å; F212-H732 AromaticContact CD2-CD2 3.79Å; F212-H732 AromaticContact CD2-CE1 3.63Å; F212-H732 AromaticContact CD2-NE2 3.53Å; F212-H732 HydrophobicContact CE1-CB 3.45Å; F212-H732 VanDerWaalsContact CE1-CB 3.45Å; F212-H732 AromaticContact CE1-CD2 3.44Å; F212-H732 VanDerWaalsContact CE1-CD2 3.44Å; F212-H732 WeakPolarHBondContact CE1-CD2 3.43Å; F212-H732 AromaticContact CE1-CG 3.36Å; F212-H732 AromaticContact CE2-CD2 3.44Å; F212-H732 VanDerWaalsContact CE2-CD2 3.44Å; F212-H732 WeakPolarHBondContact CE2-CD2 3.46Å; F212-H732 AromaticContact CE2-NE2 3.48Å; F212-H732 WeakPolarHBondContact CE2-NE2 3.32Å; F212-H732 HydrophobicContact CG-CB 4.42Å; F212-H732 AromaticContact CG-CD2 3.92Å; F212-H732 AromaticContact CG-CE1 3.63Å; F212-H732 AromaticContact CG-CG 3.73Å; F212-H732 AromaticContact CG-ND1 3.56Å; F212-H732 AromaticContact CG-NE2 3.9Å; F212-H732 HydrophobicContact CZ-CB 4.18Å; F212-H732 AromaticContact CZ-CD2 3.26Å; F212-H732 WeakPolarHBondContact CZ-CD2 3.31Å; F212-H732 AromaticContact CZ-CG 3.73Å; F212-H732 AromaticContact CZ-NE2 3.84Å
213	M	95.8	Very high	92.4	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	132.3	170.9	-55.2	-161.8	-37.8	0	0	110.2	L168 N188 L211 V225 N226 I227 L400 F413	L168-M213 HydrophobicContact CB-CE 4.03Å; L168-M213 HydrophobicContact CD2-CE 4.08Å; N188-M213 WeakPolarHBondContact CB-O 2.91Å; N188-M213 PolarHBondContact O-N 3.33Å; L211-M213 HydrophobicContact CD2-CG 4.15Å; L211-M213 HydrophobicContact CD2-SD 3.8Å; L211-M213 HydrophobicContact CG-CG 4.07Å; L211-M213 HydrophobicContact CG-SD 4.39Å; M213-V225 HydrophobicContact CB-CG1 4.02Å; M213-N226 WeakPolarHBondContact CA-O 3.37Å; M213-I227 HydrophobicContact CG-CG1 4.15Å; M213-I227 HydrophobicContact CG-CG2 4.38Å; M213-I227 HydrophobicContact SD-CD1 4.17Å; M213-I227 HydrophobicContact SD-CG1 4.37Å; M213-L400 HydrophobicContact CE-CD1 3.78Å; M213-L400 HydrophobicContact CE-CD2 4.01Å; M213-L400 HydrophobicContact SD-CD1 3.38Å; M213-L400 WeakPolarHBondContact SD-CD1 3.35Å; M213-F413 HydrophobicContact CE-CZ 4.35Å
214	S	94.3	Very high	92.5	Very high	3 Å²	3	25 Å²	25	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	133.8	171	-168.3	0	0	0	0	111.9	D165 N188 F212 R216 V225 N226	D165-S214 WeakPolarHBondContact OD1-CA 3.5Å; D165-S214 PolarHBondContact OD1-OG 2.76Å; D165-S214 PolarHBondContact OD2-OG 2.83Å; N188-S214 PolarHBondContact ND2-OG 3.06Å; F212-S214 VanDerWaalsContact CZ-CB 3.5Å; S214-R216 PolarHBondContact OG-NH1 2.79Å; S214-V225 CarbonylContact O-C 3.54Å; S214-V225 WeakPolarHBondContact O-CA 3.47Å; S214-N226 PolarHBondContact N-O 3.45Å; S214-N226 PolarHBondContact O-N 2.9Å
215	A	93.3	Very high	92.6	Very high	4 Å²	4	25 Å²	25	3%	0.033	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	140.7	176.3	0	0	0	0	0	111.1	I161 I164 D165 L168 M224	I161-A215 HydrophobicContact CG2-CB 4.06Å; I161-A215 WeakPolarHBondContact CG2-O 3.32Å; I164-A215 HydrophobicContact CB-CB 3.88Å; I164-A215 HydrophobicContact CG2-CB 3.55Å; D165-A215 WeakPolarHBondContact OD1-CB 3.34Å; D165-A215 PolarHBondContact OD1-N 2.85Å; L168-A215 HydrophobicContact CD1-CB 4.26Å; A215-M224 CarbonylContact C-O 3.59Å; A215-M224 WeakPolarHBondContact CA-O 3.41Å
216	R	91.2	Very high	92.6	Very high	81 Å²	81	25.2 Å²	25.2	31%	0.306	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	158	-180	-68	-65.7	-178.1	-92.9	2.7	109	F37 S214 M224	F37-R216 HydrophobicContact CE1-CB 4.24Å; F37-R216 HydrophobicContact CE1-CG 4.15Å; S214-R216 PolarHBondContact OG-NH1 2.79Å; R216-M224 HydrophobicContact CB-CE 3.71Å; R216-M224 HydrophobicContact CB-CG 3.94Å; R216-M224 PolarHBondContact N-O 3.48Å; R216-M224 WeakPolarHBondContact O-CG 3.38Å; R216-M224 PolarHBondContact O-N 3.02Å
217	V	88.4	Confident	92.7	Very high	37 Å²	37	25 Å²	25	22%	0.224	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.7	172.7	-178.6	0	0	0	0	107.4	F143 I161 Y221	F143-V217 HydrophobicContact CD1-CG2 3.96Å; I161-V217 HydrophobicContact CD1-CG2 4.22Å; I161-V217 HydrophobicContact CG1-CG2 4.44Å; V217-Y221 HydrophobicContact CG1-CD1 4.47Å
218	G	90.2	Very high	92.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.			trans	-93.2	-167.8	179.8	0	0	0	0	0	112.4	Y221 R222 R759 T761 S763	G218-Y221 PolarHBondContact O-N 2.98Å; G218-R222 PolarHBondContact N-O 3.49Å; G218-R759 WeakPolarHBondContact CA-O 3.46Å; G218-T761 CarbonylContact C-O 3.57Å; G218-T761 WeakPolarHBondContact CA-O 3.15Å; G218-S763 PolarHBondContact O-OG 2.84Å
219	E	88.3	Confident	92.8	Very high	36 Å²	36	24.6 Å²	24.6	17%	0.168	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	134.7	177.1	-172.5	-159.8	117.3	0	0	111.4	Y221 R222 H758 R759 T761 S763	E219-Y221 VanDerWaalsContact C-N 3.31Å; E219-R222 PolarHBondContact O-NE 2.89Å; E219-R222 PolarHBondContact O-NH2 3.4Å; E219-R222 VanDerWaalsContact O-NH2 3.09Å; E219-R222 IonicContact OE1-NH2 3.42Å; E219-H758 WeakPolarHBondContact OE2-CA 3.24Å; E219-H758 IonicContact OE2-CG 3.57Å; E219-H758 IonicContact OE2-ND1 3.51Å; E219-H758 PolarHBondContact OE2-ND1 2.88Å; E219-R759 PolarHBondContact N-O 3.14Å; E219-R759 PolarHBondContact OE2-N 3.29Å; E219-T761 PolarHBondContact N-O 3.28Å; E219-S763 WeakPolarHBondContact CA-OG 3.26Å
220	G	86.1	Confident	92.7	Very high	54 Å²	54	19.9 Å²	19.9	56%	0.557	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	25.7	-176.7	0	0	0	0	0	113.1	R222 S763	G220-R222 PolarHBondContact O-N 3.35Å; G220-S763 PolarHBondContact N-OG 3.4Å
221	Y	85.8	Confident	92.7	Very high	47 Å²	47	21.9 Å²	21.9	18%	0.184	12%	0.115	C	C	.	.	S	Bend	trans	56.6	32.1	-179.2	-52.8	-82.7	0	0	0	113.8	F143 K144 V217 G218 E219 P223 S763 D764	F143-Y221 WeakPolarHBondContact CB-O 3.08Å; F143-Y221 VanDerWaalsContact O-CD1 3.23Å; F143-Y221 WeakPolarHBondContact O-CD1 3Å; K144-Y221 HydrophobicContact CB-CD1 3.79Å; K144-Y221 HydrophobicContact CB-CD2 3.9Å; K144-Y221 HydrophobicContact CB-CE1 4.28Å; K144-Y221 HydrophobicContact CB-CE2 4.38Å; K144-Y221 HydrophobicContact CB-CG 3.55Å; K144-Y221 HydrophobicContact CD-CD2 3.5Å; K144-Y221 HydrophobicContact CD-CE2 3.52Å; K144-Y221 HydrophobicContact CD-CG 4.1Å; K144-Y221 VanDerWaalsContact CE-CE2 3.42Å; K144-Y221 HydrophobicContact CG-CD1 3.93Å; K144-Y221 HydrophobicContact CG-CD2 3.65Å; K144-Y221 HydrophobicContact CG-CE1 3.93Å; K144-Y221 HydrophobicContact CG-CE2 3.65Å; K144-Y221 HydrophobicContact CG-CG 3.76Å; V217-Y221 HydrophobicContact CG1-CD1 4.47Å; G218-Y221 PolarHBondContact O-N 2.98Å; E219-Y221 VanDerWaalsContact C-N 3.31Å; Y221-P223 WeakPolarHBondContact O-CD 3.24Å; Y221-S763 PolarHBondContact N-OG 2.95Å; Y221-D764 WeakPolarHBondContact CE1-OD2 3.34Å; Y221-D764 PolarHBondContact OH-OD1 3.04Å; Y221-D764 PolarHBondContact OH-OD2 3.12Å
222	R	87.1	Confident	92.6	Very high	82 Å²	82	21.6 Å²	21.6	31%	0.309	11%	0.113	S	C	.	.			trans	-77	120.2	-179.6	-78.8	179.5	-77.8	-152.7	-10.9	110.4	G218 E219 G220	G218-R222 PolarHBondContact N-O 3.49Å; E219-R222 PolarHBondContact O-NE 2.89Å; E219-R222 PolarHBondContact O-NH2 3.4Å; E219-R222 VanDerWaalsContact O-NH2 3.09Å; E219-R222 IonicContact OE1-NH2 3.42Å; G220-R222 PolarHBondContact O-N 3.35Å
223	P	90.1	Very high	92.5	Very high	18 Å²	18	21.9 Å²	21.9	12%	0.117	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	135.5	175.2	32	-37	0	0	0	110.7	L40 F143 Y221	L40-P223 HydrophobicContact CB-CB 4.11Å; L40-P223 HydrophobicContact CB-CG 4.46Å; L40-P223 HydrophobicContact CD2-CB 4.39Å; L40-P223 PolarHBondContact N-O 3.45Å; L40-P223 VanDerWaalsContact O-CG 3.3Å; L40-P223 WeakPolarHBondContact O-CG 3.14Å; F143-P223 HydrophobicContact CD1-CB 3.69Å; F143-P223 HydrophobicContact CD1-CG 4.44Å; F143-P223 HydrophobicContact CD2-CB 3.93Å; F143-P223 HydrophobicContact CD2-CG 3.79Å; F143-P223 HydrophobicContact CE1-CB 3.46Å; F143-P223 VanDerWaalsContact CE1-CB 3.46Å; F143-P223 HydrophobicContact CE1-CG 4.32Å; F143-P223 HydrophobicContact CE2-CB 3.74Å; F143-P223 HydrophobicContact CE2-CG 3.67Å; F143-P223 HydrophobicContact CG-CB 3.91Å; F143-P223 HydrophobicContact CG-CG 4.18Å; F143-P223 HydrophobicContact CZ-CB 3.49Å; F143-P223 VanDerWaalsContact CZ-CB 3.49Å; F143-P223 HydrophobicContact CZ-CG 3.95Å; Y221-P223 WeakPolarHBondContact O-CD 3.24Å
224	M	94.2	Very high	92.5	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.03	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	165.4	-177.9	56.5	-177	-178.8	0	0	110	F37 V38 A215 R216 I418 I760	F37-M224 HydrophobicContact CB-SD 4.44Å; F37-M224 HydrophobicContact CD1-CB 4.4Å; F37-M224 HydrophobicContact CD1-CE 3.94Å; F37-M224 HydrophobicContact CD1-CG 3.89Å; F37-M224 HydrophobicContact CD1-SD 3.48Å; F37-M224 WeakPolarHBondContact CD1-SD 3.42Å; F37-M224 HydrophobicContact CE1-CE 3.82Å; F37-M224 HydrophobicContact CE1-SD 4.01Å; F37-M224 HydrophobicContact CG-SD 4.24Å; V38-M224 CarbonylContact O-C 3.6Å; V38-M224 VanDerWaalsContact O-CA 3.23Å; V38-M224 WeakPolarHBondContact O-CA 3.2Å; V38-M224 WeakPolarHBondContact O-CB 3.4Å; A215-M224 CarbonylContact C-O 3.59Å; A215-M224 WeakPolarHBondContact CA-O 3.41Å; R216-M224 HydrophobicContact CB-CE 3.71Å; R216-M224 HydrophobicContact CB-CG 3.94Å; R216-M224 PolarHBondContact N-O 3.48Å; R216-M224 WeakPolarHBondContact O-CG 3.38Å; R216-M224 PolarHBondContact O-N 3.02Å; M224-I418 HydrophobicContact CB-CD1 3.97Å; M224-I418 HydrophobicContact SD-CD1 4.25Å; M224-I760 HydrophobicContact CE-CB 4.2Å; M224-I760 WeakPolarHBondContact CE-O 3.15Å; M224-I760 HydrophobicContact SD-CB 4.16Å; M224-I760 HydrophobicContact SD-CG2 4.03Å
225	V	95.7	Very high	92.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.2	175.8	-175.7	0	0	0	0	108.3	F37 V38 L40 L168 M213 S214 I227 F413	F37-V225 WeakPolarHBondContact CA-O 2.88Å; V38-V225 HydrophobicContact CG2-CB 4.04Å; V38-V225 PolarHBondContact N-O 2.96Å; V38-V225 PolarHBondContact O-N 3.28Å; L40-V225 HydrophobicContact CB-CG2 4.27Å; L40-V225 HydrophobicContact CD1-CG2 4.26Å; L168-V225 HydrophobicContact CD1-CG1 3.95Å; L168-V225 HydrophobicContact CD1-CG2 3.86Å; L168-V225 HydrophobicContact CD2-CG2 4.3Å; M213-V225 HydrophobicContact CB-CG1 4.02Å; S214-V225 CarbonylContact O-C 3.54Å; S214-V225 WeakPolarHBondContact O-CA 3.47Å; V225-I227 HydrophobicContact CB-CG1 4.38Å; V225-I227 HydrophobicContact CG1-CD1 4.26Å; V225-I227 HydrophobicContact CG1-CG1 3.81Å; V225-F413 HydrophobicContact CB-CE1 3.74Å; V225-F413 HydrophobicContact CG1-CE1 4.13Å; V225-F413 HydrophobicContact CG1-CZ 4.5Å; V225-F413 HydrophobicContact CG2-CD1 4.41Å; V225-F413 HydrophobicContact CG2-CE1 3.53Å; V225-F413 HydrophobicContact CG2-CZ 4.24Å
226	N	96.8	Very high	92.6	Very high	6 Å²	6	24 Å²	24	3%	0.032	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.9	170.8	-173.9	-162	0	0	0	109.3	N36 F37 M213 S214 H732 A733	N36-N226 VanDerWaalsContact CG-ND2 3.29Å; N36-N226 PolarHBondContact ND2-ND2 2.92Å; N36-N226 PolarHBondContact O-ND2 2.81Å; N36-N226 PolarHBondContact OD1-ND2 3.21Å; F37-N226 HydrophobicContact CD1-CB 3.87Å; F37-N226 HydrophobicContact CE1-CB 3.56Å; F37-N226 HydrophobicContact CE2-CB 4.29Å; F37-N226 HydrophobicContact CG-CB 4.39Å; F37-N226 HydrophobicContact CZ-CB 3.79Å; M213-N226 WeakPolarHBondContact CA-O 3.37Å; S214-N226 PolarHBondContact N-O 3.45Å; S214-N226 PolarHBondContact O-N 2.9Å; N226-H732 PolarHBondContact ND2-O 2.94Å; N226-H732 WeakPolarHBondContact OD1-CA 3.47Å; N226-H732 WeakPolarHBondContact OD1-CB 3.21Å; N226-A733 PolarHBondContact OD1-N 2.67Å; N226-A733 VanDerWaalsContact OD1-N 3.11Å
227	I	96.6	Very high	92.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.5	-175.5	-58.1	-177.3	0	0	0	109.4	N36 V38 L211 F212 M213 V225 C391 M395 F413	N36-I227 VanDerWaalsContact CB-O 3.31Å; N36-I227 WeakPolarHBondContact CB-O 3.37Å; N36-I227 VanDerWaalsContact CG-O 3.27Å; N36-I227 PolarHBondContact ND2-O 2.82Å; N36-I227 PolarHBondContact O-N 2.83Å; V38-I227 HydrophobicContact CG1-CD1 4.44Å; V38-I227 HydrophobicContact CG2-CD1 3.46Å; V38-I227 VanDerWaalsContact CG2-CD1 3.46Å; V38-I227 HydrophobicContact CG2-CG1 4.21Å; L211-I227 HydrophobicContact CD1-CG2 3.44Å; L211-I227 VanDerWaalsContact CD1-CG2 3.44Å; L211-I227 HydrophobicContact CD2-CG2 4.17Å; L211-I227 HydrophobicContact CG-CG2 3.89Å; F212-I227 VanDerWaalsContact O-CA 3.32Å; F212-I227 WeakPolarHBondContact O-CA 3.34Å; M213-I227 HydrophobicContact CG-CG1 4.15Å; M213-I227 HydrophobicContact CG-CG2 4.38Å; M213-I227 HydrophobicContact SD-CD1 4.17Å; M213-I227 HydrophobicContact SD-CG1 4.37Å; V225-I227 HydrophobicContact CB-CG1 4.38Å; V225-I227 HydrophobicContact CG1-CD1 4.26Å; V225-I227 HydrophobicContact CG1-CG1 3.81Å; I227-C391 HydrophobicContact CG2-CB 4.14Å; I227-M395 HydrophobicContact CD1-CE 3.39Å; I227-M395 HydrophobicContact CD1-CG 4.04Å; I227-M395 HydrophobicContact CD1-SD 3.25Å; I227-M395 WeakPolarHBondContact CD1-SD 3.24Å; I227-M395 HydrophobicContact CG1-SD 4.49Å; I227-M395 HydrophobicContact CG2-CG 4.17Å; I227-M395 HydrophobicContact CG2-SD 4.18Å; I227-F413 HydrophobicContact CD1-CE1 4.27Å
228	D	97	Very high	93.1	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.011	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.1	-176.9	-162.1	21.8	0	0	0	112.1	F212 S230 R387 H732 R734	F212-D228 HydrophobicContact CB-CB 4.39Å; F212-D228 WeakPolarHBondContact CB-O 3.32Å; F212-D228 HydrophobicContact CD1-CB 4.35Å; F212-D228 PolarHBondContact N-O 2.92Å; F212-D228 PolarHBondContact O-N 3.34Å; D228-S230 PolarHBondContact O-N 3.11Å; D228-R387 IonicContact OD1-CZ 2.77Å; D228-R387 IonicContact OD1-NE 3.73Å; D228-R387 PolarHBondContact OD1-NE 3.36Å; D228-R387 IonicContact OD1-NH2 2.7Å; D228-R387 PolarHBondContact OD1-NH2 2.91Å; D228-R387 IonicContact OD2-CZ 3.55Å; D228-R387 IonicContact OD2-NE 3.74Å; D228-R387 IonicContact OD2-NH2 3.99Å; D228-R387 PolarHBondContact OD2-NH2 2.92Å; D228-H732 HydrophobicContact CB-CB 3.95Å; D228-H732 IonicContact OD2-ND1 3.22Å; D228-H732 PolarHBondContact OD2-ND1 2.99Å; D228-R734 IonicContact OD2-CZ 2.86Å; D228-R734 IonicContact OD2-NE 3.26Å; D228-R734 IonicContact OD2-NH2 3.43Å; D228-R734 PolarHBondContact OD2-NH2 2.88Å
229	V	95.9	Very high	93.4	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.9	171.7	-174.2	0	0	0	0	108.9	R209 R387 T390 C391 M394	R209-V229 HydrophobicContact CG-CG1 3.9Å; V229-R387 HydrophobicContact CG2-CG 4.45Å; V229-R387 PolarHBondContact O-NH2 3.35Å; V229-T390 HydrophobicContact CG2-CG2 3.66Å; V229-C391 VanDerWaalsContact CG2-SG 3.55Å; V229-C391 PolarHBondContact N-SG 3.39Å; V229-C391 VanDerWaalsContact N-SG 3.43Å; V229-M394 HydrophobicContact CG1-SD 4.28Å; V229-M394 HydrophobicContact CG2-SD 4.34Å
230	S	94	Very high	93.9	Very high	12 Å²	12	22.1 Å²	22.1	8%	0.084	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	156.1	175.9	70.7	0	0	0	0	110.6	Y191 G210 D228	Y191-S230 WeakPolarHBondContact CE1-OG 3.43Å; G210-S230 VanDerWaalsContact C-OG 3.28Å; G210-S230 PolarHBondContact N-O 2.66Å; G210-S230 PolarHBondContact O-N 3.29Å; G210-S230 VanDerWaalsContact O-O 3.13Å; G210-S230 PolarHBondContact O-OG 3.09Å; G210-S230 VanDerWaalsContact O-OG 3.09Å; D228-S230 PolarHBondContact O-N 3.11Å
231	H	93.9	Very high	94.4	Very high	43 Å²	43	20 Å²	20	20%	0.199	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.9	174.1	-59.7	84.3	0	0	0	109	L207 W208 C380	L207-H231 HydrophobicContact CD1-CB 3.89Å; L207-H231 HydrophobicContact CD2-CB 4.22Å; L207-H231 HydrophobicContact CG-CB 4.12Å; W208-H231 VanDerWaalsContact O-CA 3.25Å; W208-H231 WeakPolarHBondContact O-CA 3.48Å; H231-C380 PolarHBondContact ND1-SG 3.33Å; H231-C380 VanDerWaalsContact ND1-SG 3.43Å
232	A	93.4	Very high	94.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	142.2	175	0	0	0	0	0	110.7	Y191 W208 F234	Y191-A232 HydrophobicContact CD1-CB 3.99Å; Y191-A232 HydrophobicContact CE1-CB 3.41Å; Y191-A232 VanDerWaalsContact CE1-CB 3.41Å; Y191-A232 HydrophobicContact CE2-CB 4.14Å; Y191-A232 VanDerWaalsContact CZ-CB 3.48Å; W208-A232 PolarHBondContact N-O 2.93Å; W208-A232 PolarHBondContact O-N 2.72Å; A232-F234 HydrophobicContact CB-CD2 4.48Å; A232-F234 HydrophobicContact CB-CE2 3.84Å; A232-F234 VanDerWaalsContact O-CD2 3.3Å; A232-F234 WeakPolarHBondContact O-CD2 3.25Å
233	P	95	Very high	95.4	Very high	20 Å²	20	17.2 Å²	17.2	13%	0.13	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	139.9	175.8	33.4	-35.7	0	0	0	110.6	L201 V205 E206 Y363 L368	L201-P233 HydrophobicContact CD1-CB 4.03Å; V205-P233 HydrophobicContact CG1-CB 3.8Å; E206-P233 CarbonylContact O-C 3.46Å; E206-P233 WeakPolarHBondContact O-CA 3.47Å; P233-Y363 PolarHBondContact O-N 2.77Å; P233-L368 HydrophobicContact CB-CD2 4.23Å; P233-L368 HydrophobicContact CG-CD1 4.38Å; P233-L368 HydrophobicContact CG-CD2 4.3Å
234	F	95.3	Very high	95.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.8	176.7	-73.7	-100.8	0	0	0	110	F184 I186 Y191 V205 E206 W208 A232 R236 Q361 R362	F184-F234 AromaticContact CD1-CE1 3.55Å; F184-F234 HydrophobicContact CD1-CE1 3.55Å; F184-F234 AromaticContact CD1-CZ 3.75Å; F184-F234 HydrophobicContact CD1-CZ 3.75Å; F184-F234 AromaticContact CE1-CE1 3.79Å; F184-F234 HydrophobicContact CE1-CE1 3.79Å; F184-F234 HydrophobicContact CE1-CZ 4.25Å; F184-F234 HydrophobicContact CG-CE1 4.42Å; I186-F234 HydrophobicContact CD1-CE1 4.29Å; I186-F234 HydrophobicContact CD1-CZ 3.79Å; Y191-F234 HydrophobicContact CD1-CE2 4.41Å; Y191-F234 HydrophobicContact CD2-CZ 4.28Å; Y191-F234 HydrophobicContact CG-CE2 4.12Å; Y191-F234 HydrophobicContact CG-CZ 4.21Å; V205-F234 CarbonylContact C-O 3.55Å; V205-F234 WeakPolarHBondContact CA-O 3.48Å; V205-F234 WeakPolarHBondContact CG1-O 3.35Å; E206-F234 PolarHBondContact N-O 2.82Å; E206-F234 PolarHBondContact O-N 3.03Å; W208-F234 HydrophobicContact CB-CD2 3.68Å; W208-F234 HydrophobicContact CB-CE2 3.77Å; W208-F234 HydrophobicContact CD2-CB 4.12Å; W208-F234 HydrophobicContact CD2-CD1 4.14Å; W208-F234 AromaticContact CD2-CD2 3.43Å; W208-F234 HydrophobicContact CD2-CD2 3.43Å; W208-F234 VanDerWaalsContact CD2-CD2 3.43Å; W208-F234 HydrophobicContact CD2-CE1 4.44Å; W208-F234 AromaticContact CD2-CE2 3.78Å; W208-F234 HydrophobicContact CD2-CE2 3.78Å; W208-F234 AromaticContact CD2-CG 3.64Å; W208-F234 HydrophobicContact CD2-CG 3.64Å; W208-F234 HydrophobicContact CD2-CZ 4.26Å; W208-F234 AromaticContact CE2-CG 3.81Å; W208-F234 AromaticContact CE3-CD1 3.98Å; W208-F234 HydrophobicContact CE3-CD1 3.98Å; W208-F234 AromaticContact CE3-CD2 3.75Å; W208-F234 HydrophobicContact CE3-CD2 3.75Å; W208-F234 AromaticContact CE3-CE1 3.87Å; W208-F234 HydrophobicContact CE3-CE1 3.87Å; W208-F234 AromaticContact CE3-CE2 3.63Å; W208-F234 HydrophobicContact CE3-CE2 3.63Å; W208-F234 AromaticContact CE3-CG 3.93Å; W208-F234 HydrophobicContact CE3-CG 3.93Å; W208-F234 AromaticContact CE3-CZ 3.69Å; W208-F234 HydrophobicContact CE3-CZ 3.69Å; W208-F234 HydrophobicContact CG-CB 4.34Å; W208-F234 AromaticContact CG-CD2 3.41Å; W208-F234 HydrophobicContact CG-CD2 3.41Å; W208-F234 VanDerWaalsContact CG-CD2 3.41Å; W208-F234 AromaticContact CG-CE2 3.87Å; W208-F234 HydrophobicContact CG-CE2 3.87Å; W208-F234 HydrophobicContact CG-CG 4Å; W208-F234 HydrophobicContact CH2-CD1 4.19Å; W208-F234 HydrophobicContact CH2-CE1 4.5Å; W208-F234 HydrophobicContact CZ2-CB 4.25Å; W208-F234 HydrophobicContact CZ2-CD1 4.34Å; W208-F234 HydrophobicContact CZ2-CG 4.26Å; W208-F234 AromaticContact CZ3-CD1 4Å; W208-F234 HydrophobicContact CZ3-CD1 4Å; W208-F234 AromaticContact CZ3-CE1 3.9Å; W208-F234 HydrophobicContact CZ3-CE1 3.9Å; W208-F234 HydrophobicContact CZ3-CE2 4.48Å; W208-F234 HydrophobicContact CZ3-CG 4.34Å; W208-F234 HydrophobicContact CZ3-CZ 4.15Å; A232-F234 HydrophobicContact CB-CD2 4.48Å; A232-F234 HydrophobicContact CB-CE2 3.84Å; A232-F234 VanDerWaalsContact O-CD2 3.3Å; A232-F234 WeakPolarHBondContact O-CD2 3.25Å; F234-R236 PolarHBondContact O-N 3.1Å; F234-Q361 CarbonylContact C-O 3.57Å; F234-Q361 VanDerWaalsContact CA-O 3.3Å; F234-Q361 WeakPolarHBondContact CA-O 3.22Å; F234-Q361 VanDerWaalsContact CD1-C 3.49Å; F234-Q361 WeakPolarHBondContact CD1-O 3.45Å; F234-R362 HydrophobicContact CD1-CB 4.43Å; F234-R362 HydrophobicContact CE1-CB 4.2Å
235	Y	95.3	Very high	95.9	Very high	7 Å²	7	16.6 Å²	16.6	3%	0.027	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	132.1	166.2	-68.3	-81.5	0	0	0	109.1	Y243 I283 Q361 Y363	Y235-Y243 HydrophobicContact CD1-CE2 4.14Å; Y235-Y243 HydrophobicContact CE1-CE2 4.45Å; Y235-I283 HydrophobicContact CD1-CD1 3.81Å; Y235-I283 HydrophobicContact CD1-CG1 4.46Å; Y235-I283 HydrophobicContact CE1-CD1 3.3Å; Y235-I283 HydrophobicContact CE1-CG1 3.84Å; Y235-I283 HydrophobicContact CE2-CG1 4.27Å; Y235-Q361 HydrophobicContact CD2-CB 3.79Å; Y235-Q361 WeakPolarHBondContact CD2-O 3.47Å; Y235-Q361 PolarHBondContact N-O 3.02Å; Y235-Y363 AromaticContact CD1-CD2 3.78Å; Y235-Y363 HydrophobicContact CD1-CD2 3.78Å; Y235-Y363 HydrophobicContact CD1-CE2 4.24Å; Y235-Y363 HydrophobicContact CD2-CD2 4.28Å; Y235-Y363 AromaticContact CE1-CD2 3.3Å; Y235-Y363 HydrophobicContact CE1-CD2 3.3Å; Y235-Y363 AromaticContact CE1-CE2 3.48Å; Y235-Y363 HydrophobicContact CE1-CE2 3.48Å; Y235-Y363 VanDerWaalsContact CE1-CE2 3.48Å; Y235-Y363 AromaticContact CE2-CD2 3.86Å; Y235-Y363 HydrophobicContact CE2-CD2 3.86Å; Y235-Y363 HydrophobicContact CG-CD2 4.26Å; Y235-Y363 AromaticContact CZ-CD2 3.35Å; Y235-Y363 AromaticContact CZ-CE2 3.73Å
236	R	95.3	Very high	95.9	Very high	50 Å²	50	18.2 Å²	18.2	19%	0.189	10%	0.099	C	C	.	.			trans	-67.8	131.2	175.4	175.8	176.2	-69.2	167	-7.4	109.9	N200 G204 E206 F234 Q238	N200-R236 PolarHBondContact ND2-NH1 2.83Å; N200-R236 PolarHBondContact ND2-NH2 2.71Å; N200-R236 PolarHBondContact OD1-NH2 2.85Å; G204-R236 PolarHBondContact O-N 3.41Å; E206-R236 HydrophobicContact CG-CB 4.18Å; E206-R236 IonicContact OE2-NE 3.25Å; E206-R236 PolarHBondContact OE2-NE 2.68Å; F234-R236 PolarHBondContact O-N 3.1Å; R236-Q238 HydrophobicContact CG-CB 4.43Å; R236-Q238 HydrophobicContact CG-CG 4.38Å; R236-Q238 PolarHBondContact O-N 3.27Å
237	P	94	Very high	95.8	Very high	52 Å²	52	18.7 Å²	18.7	34%	0.338	10%	0.101	S	C	.	.			trans	-64.8	113.6	166.9	-18.7	32.5	0	0	0	110.4	E359	P237-E359 HydrophobicContact CB-CG 3.85Å; P237-E359 HydrophobicContact CG-CB 4.3Å; P237-E359 HydrophobicContact CG-CG 3.77Å
238	Q	95.7	Very high	95.8	Very high	29 Å²	29	20.1 Å²	20.1	14%	0.136	11%	0.109	C	C	.	.			trans	-163.7	169.7	180	59.7	-175.8	-17	0	0	111.2	R236 N242 D246 N356 V357	R236-Q238 HydrophobicContact CG-CB 4.43Å; R236-Q238 HydrophobicContact CG-CG 4.38Å; R236-Q238 PolarHBondContact O-N 3.27Å; Q238-N242 HydrophobicContact CB-CB 4.32Å; Q238-N242 HydrophobicContact CG-CB 4.31Å; Q238-D246 PolarHBondContact NE2-OD2 2.76Å; Q238-D246 PolarHBondContact OE1-OD2 3.4Å; Q238-N356 CarbonylContact O-C 3.57Å; Q238-N356 WeakPolarHBondContact O-CA 3.09Å; Q238-V357 PolarHBondContact O-N 2.79Å
239	S	97.1	Very high	95.7	Very high	31 Å²	31	21 Å²	21	22%	0.217	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-60.9	146.5	171	70	0	0	0	0	111.3	L241 N242 Y243 N356	S239-L241 PolarHBondContact O-N 3.32Å; S239-N242 PolarHBondContact O-N 2.78Å; S239-N242 VanDerWaalsContact O-N 3.08Å; S239-N242 WeakPolarHBondContact OG-CB 3.34Å; S239-N242 PolarHBondContact OG-N 3.42Å; S239-N242 PolarHBondContact OG-ND2 2.75Å; S239-Y243 PolarHBondContact O-N 2.92Å; S239-N356 VanDerWaalsContact CA-OD1 3.3Å; S239-N356 WeakPolarHBondContact CA-OD1 3.46Å
240	V	97.5	Very high	95.5	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-29.5	177.7	172.3	0	0	0	0	111	Y243 I244 V285 L339 V352 C355 V357	V240-Y243 WeakPolarHBondContact O-CB 3.33Å; V240-Y243 PolarHBondContact O-N 2.98Å; V240-I244 HydrophobicContact CG1-CD1 4.07Å; V240-I244 HydrophobicContact CG1-CG1 4.37Å; V240-I244 VanDerWaalsContact O-CG1 3.3Å; V240-I244 WeakPolarHBondContact O-CG1 3.47Å; V240-I244 PolarHBondContact O-N 3.09Å; V240-V285 HydrophobicContact CG2-CG1 3.86Å; V240-L339 HydrophobicContact CG1-CD1 4.12Å; V240-L339 HydrophobicContact CG1-CD2 4.42Å; V240-L339 HydrophobicContact CG2-CD1 4.12Å; V240-V352 HydrophobicContact CB-CB 4.45Å; V240-V352 HydrophobicContact CG1-CB 3.88Å; V240-V352 HydrophobicContact CG1-CG1 3.82Å; V240-C355 HydrophobicContact CB-CB 3.97Å; V240-C355 HydrophobicContact CG2-CB 3.49Å; V240-C355 VanDerWaalsContact CG2-CB 3.49Å; V240-C355 WeakPolarHBondContact CG2-O 3.24Å; V240-C355 PolarHBondContact N-O 3.09Å; V240-V357 HydrophobicContact CG2-CG2 4.23Å
241	L	97.3	Very high	95.3	Very high	9 Å²	9	25 Å²	25	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-47.7	169.7	-70.1	172.8	0	0	0	112	S239 Y243 I244 C245 I259 I262 F333 M336 V352 E353	S239-L241 PolarHBondContact O-N 3.32Å; L241-Y243 VanDerWaalsContact C-N 3.33Å; L241-Y243 PolarHBondContact O-N 2.81Å; L241-I244 PolarHBondContact O-N 2.78Å; L241-C245 PolarHBondContact O-N 3.2Å; L241-C245 VanDerWaalsContact O-N 3.07Å; L241-C245 PolarHBondContact O-SG 3.16Å; L241-I259 HydrophobicContact CB-CD1 3.75Å; L241-I259 HydrophobicContact CB-CG1 4.16Å; L241-I262 HydrophobicContact CD2-CD1 3.99Å; L241-F333 HydrophobicContact CD1-CD2 3.82Å; L241-F333 HydrophobicContact CD1-CE2 3.74Å; L241-M336 HydrophobicContact CD2-CE 3.9Å; L241-V352 HydrophobicContact CD2-CB 4.45Å; L241-V352 HydrophobicContact CD2-CG2 3.67Å; L241-V352 HydrophobicContact CG-CG2 4.47Å; L241-E353 HydrophobicContact CD1-CB 4.36Å; L241-E353 HydrophobicContact CD1-CG 4.44Å
242	N	96.7	Very high	95.1	Very high	67 Å²	67	29.7 Å²	29.7	36%	0.358	15%	0.152	S	C	.	.	H	α-helix	trans	-64.7	-41.5	177.5	-91.7	-37.1	0	0	0	110.6	Q238 S239 I244 C245 D246 I259	Q238-N242 HydrophobicContact CB-CB 4.32Å; Q238-N242 HydrophobicContact CG-CB 4.31Å; S239-N242 PolarHBondContact O-N 2.78Å; S239-N242 VanDerWaalsContact O-N 3.08Å; S239-N242 WeakPolarHBondContact OG-CB 3.34Å; S239-N242 PolarHBondContact OG-N 3.42Å; S239-N242 PolarHBondContact OG-ND2 2.75Å; N242-I244 VanDerWaalsContact C-N 3.31Å; N242-I244 PolarHBondContact O-N 2.88Å; N242-C245 PolarHBondContact O-N 2.87Å; N242-D246 WeakPolarHBondContact O-CB 3.42Å; N242-D246 PolarHBondContact O-N 3.39Å; N242-I259 HydrophobicContact CB-CD1 3.92Å; N242-I259 WeakPolarHBondContact ND2-CD1 3.32Å; N242-I259 WeakPolarHBondContact OD1-CD1 3.39Å; N242-I259 VanDerWaalsContact OD1-CG1 3.26Å; N242-I259 WeakPolarHBondContact OD1-CG1 3.38Å
243	Y	97.1	Very high	94.8	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-59	-42	175.9	-177.6	-104.8	0	0	0	112.3	Y235 S239 V240 L241 D246 V247 A279 V280 I283 V357	Y235-Y243 HydrophobicContact CD1-CE2 4.14Å; Y235-Y243 HydrophobicContact CE1-CE2 4.45Å; S239-Y243 PolarHBondContact O-N 2.92Å; V240-Y243 WeakPolarHBondContact O-CB 3.33Å; V240-Y243 PolarHBondContact O-N 2.98Å; L241-Y243 VanDerWaalsContact C-N 3.33Å; L241-Y243 PolarHBondContact O-N 2.81Å; Y243-D246 PolarHBondContact O-N 2.89Å; Y243-V247 HydrophobicContact CD1-CG2 4.24Å; Y243-V247 HydrophobicContact CD2-CG2 4.37Å; Y243-V247 HydrophobicContact CE1-CG2 3.76Å; Y243-V247 HydrophobicContact CE2-CG2 3.88Å; Y243-V247 WeakPolarHBondContact O-CB 3.44Å; Y243-V247 VanDerWaalsContact O-CG2 3.28Å; Y243-V247 WeakPolarHBondContact O-CG2 3.14Å; Y243-V247 PolarHBondContact O-N 3.44Å; Y243-A279 HydrophobicContact CE1-CB 4.23Å; Y243-V280 HydrophobicContact CD1-CG1 4.12Å; Y243-V280 HydrophobicContact CE1-CG1 3.87Å; Y243-I283 HydrophobicContact CE1-CD1 3.81Å; Y243-I283 HydrophobicContact CE2-CD1 4.45Å; Y243-I283 WeakPolarHBondContact OH-CD1 3.44Å; Y243-V357 HydrophobicContact CD2-CG2 4.26Å; Y243-V357 HydrophobicContact CG-CG2 3.98Å
244	I	96.9	Very high	94.6	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-49	175.1	-74	167.5	0	0	0	110.3	V240 L241 N242 D246 V247 L248 L268 I276 M336 V352	V240-I244 HydrophobicContact CG1-CD1 4.07Å; V240-I244 HydrophobicContact CG1-CG1 4.37Å; V240-I244 VanDerWaalsContact O-CG1 3.3Å; V240-I244 WeakPolarHBondContact O-CG1 3.47Å; V240-I244 PolarHBondContact O-N 3.09Å; L241-I244 PolarHBondContact O-N 2.78Å; N242-I244 VanDerWaalsContact C-N 3.31Å; N242-I244 PolarHBondContact O-N 2.88Å; I244-D246 PolarHBondContact O-N 3.42Å; I244-V247 PolarHBondContact O-N 3.33Å; I244-L248 HydrophobicContact CG2-CD1 3.92Å; I244-L248 HydrophobicContact CG2-CG 4.4Å; I244-L248 WeakPolarHBondContact O-CG 3.47Å; I244-L248 PolarHBondContact O-N 2.99Å; I244-L268 HydrophobicContact CG2-CD1 4.31Å; I244-I276 HydrophobicContact CB-CD1 4.2Å; I244-I276 HydrophobicContact CD1-CG2 4.33Å; I244-I276 HydrophobicContact CG1-CD1 4.12Å; I244-I276 HydrophobicContact CG1-CG1 4.37Å; I244-I276 HydrophobicContact CG1-CG2 3.94Å; I244-I276 HydrophobicContact CG2-CD1 3.98Å; I244-I276 HydrophobicContact CG2-CG1 4.11Å; I244-M336 HydrophobicContact CD1-CE 4.46Å; I244-V352 HydrophobicContact CD1-CB 4.06Å; I244-V352 HydrophobicContact CD1-CG1 3.79Å; I244-V352 HydrophobicContact CD1-CG2 4.23Å
245	C	96.9	Very high	94.4	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.054	24%	0.239	C	C	.	.	H	α-helix	trans	-57.3	-47.8	176.1	-65.8	0	0	0	0	111.5	L241 N242 V247 L248 N249	L241-C245 PolarHBondContact O-N 3.2Å; L241-C245 VanDerWaalsContact O-N 3.07Å; L241-C245 PolarHBondContact O-SG 3.16Å; N242-C245 PolarHBondContact O-N 2.87Å; C245-V247 VanDerWaalsContact C-N 3.34Å; C245-V247 PolarHBondContact O-N 2.72Å; C245-L248 PolarHBondContact O-N 3.27Å; C245-N249 VanDerWaalsContact O-CB 3.24Å; C245-N249 WeakPolarHBondContact O-CB 2.97Å; C245-N249 PolarHBondContact O-N 2.6Å; C245-N249 PolarHBondContact O-ND2 3.04Å
246	D	95.9	Very high	94.2	Very high	35 Å²	35	49.5 Å²	49.5	19%	0.187	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-43.5	178.5	-86.2	-17.1	0	0	0	112.7	G204 Q238 N242 Y243 I244 G250	G204-D246 WeakPolarHBondContact CA-OD2 3.43Å; G204-D246 PolarHBondContact N-OD2 3.46Å; Q238-D246 PolarHBondContact NE2-OD2 2.76Å; Q238-D246 PolarHBondContact OE1-OD2 3.4Å; N242-D246 WeakPolarHBondContact O-CB 3.42Å; N242-D246 PolarHBondContact O-N 3.39Å; Y243-D246 PolarHBondContact O-N 2.89Å; I244-D246 PolarHBondContact O-N 3.42Å; D246-G250 PolarHBondContact O-N 2.77Å
247	V	95.2	Very high	94.1	Very high	15 Å²	15	49.4 Å²	49.4	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-69.1	-43.6	180	170.2	0	0	0	0	111.1	Y243 I244 C245 G250 I275 I276 A279	Y243-V247 HydrophobicContact CD1-CG2 4.24Å; Y243-V247 HydrophobicContact CD2-CG2 4.37Å; Y243-V247 HydrophobicContact CE1-CG2 3.76Å; Y243-V247 HydrophobicContact CE2-CG2 3.88Å; Y243-V247 WeakPolarHBondContact O-CB 3.44Å; Y243-V247 VanDerWaalsContact O-CG2 3.28Å; Y243-V247 WeakPolarHBondContact O-CG2 3.14Å; Y243-V247 PolarHBondContact O-N 3.44Å; I244-V247 PolarHBondContact O-N 3.33Å; C245-V247 VanDerWaalsContact C-N 3.34Å; C245-V247 PolarHBondContact O-N 2.72Å; V247-G250 PolarHBondContact O-N 3.02Å; V247-I275 HydrophobicContact CG1-CG2 3.82Å; V247-I276 HydrophobicContact CB-CD1 3.82Å; V247-I276 HydrophobicContact CG1-CD1 3.66Å; V247-A279 HydrophobicContact CB-CB 4.44Å; V247-A279 HydrophobicContact CG1-CB 3.68Å; V247-A279 HydrophobicContact CG2-CB 4.01Å
248	L	95.9	Very high	94	Very high	31 Å²	31	48.5 Å²	48.5	16%	0.162	26%	0.261	C	S	.	.	H	α-helix	trans	-70.4	-32.7	179.4	-67.5	-179.4	0	0	0	112.6	I244 C245 G250 Y257 L268 E272 I275 I276	I244-L248 HydrophobicContact CG2-CD1 3.92Å; I244-L248 HydrophobicContact CG2-CG 4.4Å; I244-L248 WeakPolarHBondContact O-CG 3.47Å; I244-L248 PolarHBondContact O-N 2.99Å; C245-L248 PolarHBondContact O-N 3.27Å; L248-G250 VanDerWaalsContact C-N 3.35Å; L248-Y257 HydrophobicContact CB-CD2 3.65Å; L248-Y257 HydrophobicContact CB-CE2 3.76Å; L248-Y257 HydrophobicContact CB-CG 4.39Å; L248-Y257 HydrophobicContact CD1-CD2 4.48Å; L248-Y257 HydrophobicContact CD1-CE2 4.42Å; L248-L268 HydrophobicContact CD1-CD2 4.07Å; L248-E272 HydrophobicContact CD1-CB 4.39Å; L248-E272 HydrophobicContact CD1-CG 4.36Å; L248-E272 HydrophobicContact CD2-CB 3.91Å; L248-E272 HydrophobicContact CD2-CG 3.95Å; L248-I275 HydrophobicContact CD2-CB 4.45Å; L248-I275 HydrophobicContact CD2-CG2 4.27Å; L248-I276 HydrophobicContact CD2-CD1 3.9Å; L248-I276 HydrophobicContact CD2-CG1 3.95Å; L248-I276 HydrophobicContact CG-CD1 3.86Å; L248-I276 HydrophobicContact CG-CG1 4.19Å
249	N	95.4	Very high	93.9	Very high	21 Å²	21	49.5 Å²	49.5	11%	0.112	27%	0.267	C	S	.	.	H	α-helix	trans	-69.2	-35.9	172.7	-75.4	-33.2	0	0	0	112	C245 D251 R252 P255 R256 Y257	C245-N249 VanDerWaalsContact O-CB 3.24Å; C245-N249 WeakPolarHBondContact O-CB 2.97Å; C245-N249 PolarHBondContact O-N 2.6Å; C245-N249 PolarHBondContact O-ND2 3.04Å; N249-D251 PolarHBondContact O-N 2.83Å; N249-R252 WeakPolarHBondContact O-CB 3.34Å; N249-R252 PolarHBondContact O-N 3.27Å; N249-P255 HydrophobicContact CB-CB 4.4Å; N249-P255 WeakPolarHBondContact ND2-CB 3.34Å; N249-R256 PolarHBondContact OD1-N 2.94Å; N249-Y257 PolarHBondContact ND2-O 2.83Å; N249-Y257 PolarHBondContact OD1-N 3.26Å
250	G	92.1	Very high	93.7	Very high	9 Å²	9	53.5 Å²	53.5	9%	0.093	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-120.9	-176.2	0	0	0	0	0	112.8	K202 F203 D246 V247 L248	K202-G250 WeakPolarHBondContact CB-O 3.28Å; F203-G250 VanDerWaalsContact CZ-C 3.42Å; D246-G250 PolarHBondContact O-N 2.77Å; V247-G250 PolarHBondContact O-N 3.02Å; L248-G250 VanDerWaalsContact C-N 3.35Å
251	D	89.8	Confident	93.4	Very high	90 Å²	90	58.6 Å²	58.6	48%	0.481	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	6.6	176.2	63.8	-18.1	0	0	0	113.8	F203 N249 F371	F203-D251 HydrophobicContact CE2-CB 4.2Å; F203-D251 HydrophobicContact CZ-CB 4.18Å; N249-D251 PolarHBondContact O-N 2.83Å; D251-F371 HydrophobicContact CB-CB 4.27Å; D251-F371 HydrophobicContact CB-CD1 3.7Å; D251-F371 HydrophobicContact CB-CD2 3.94Å; D251-F371 HydrophobicContact CB-CE1 3.96Å; D251-F371 HydrophobicContact CB-CE2 4.19Å; D251-F371 HydrophobicContact CB-CG 3.69Å; D251-F371 HydrophobicContact CB-CZ 4.2Å
252	R	89.2	Confident	93.2	Very high	140 Å²	140	59 Å²	59	53%	0.528	31%	0.312	S	S	.	.			trans	-60.8	139.4	179.8	-165.8	-174.3	-95.3	-155.4	-6.5	111.5	N249 P254	N249-R252 WeakPolarHBondContact O-CB 3.34Å; N249-R252 PolarHBondContact O-N 3.27Å; R252-P254 WeakPolarHBondContact CG-O 3.31Å
253	S	87.5	Confident	93.1	Very high	107 Å²	107	62.8 Å²	62.8	75%	0.748	32%	0.321	S	S	*	.	S	Bend	trans	-138.6	116.7	172.3	-170.2	0	0	0	0	109.2
254	P	90.8	Very high	92.9	Very high	102 Å²	102	66.2 Å²	66.2	66%	0.662	35%	0.346	S	S	*	.	S	Bend	cis	-72.2	159.8	1	31.5	-36	0	0	0	113.5	R252	R252-P254 WeakPolarHBondContact CG-O 3.31Å
255	P	90.2	Very high	92.7	Very high	85 Å²	85	70.8 Å²	70.8	55%	0.552	37%	0.37	S	S	*	.			trans	-62	146.8	175	26.8	-33.7	0	0	0	111.4	N249	N249-P255 HydrophobicContact CB-CB 4.4Å; N249-P255 WeakPolarHBondContact ND2-CB 3.34Å
256	R	91.8	Very high	92.6	Very high	149 Å²	149	72.3 Å²	72.3	56%	0.562	38%	0.379	S	S	*	.	S	Bend	trans	-87.9	-35.7	176.5	-178.4	-179.8	-178.5	-168	3.6	112.4	N249 Q261	N249-R256 PolarHBondContact OD1-N 2.94Å; R256-Q261 PolarHBondContact O-OE1 3.4Å
257	Y	92.5	Very high	92.5	Very high	49 Å²	49	75 Å²	75	19%	0.192	39%	0.387	C	S	.	.			trans	-114.4	137.9	-175.6	-56.3	-87.3	0	0	0	110.2	L248 N249 E272	L248-Y257 HydrophobicContact CB-CD2 3.65Å; L248-Y257 HydrophobicContact CB-CE2 3.76Å; L248-Y257 HydrophobicContact CB-CG 4.39Å; L248-Y257 HydrophobicContact CD1-CD2 4.48Å; L248-Y257 HydrophobicContact CD1-CE2 4.42Å; N249-Y257 PolarHBondContact ND2-O 2.83Å; N249-Y257 PolarHBondContact OD1-N 3.26Å; Y257-E272 PolarHBondContact OH-OE1 3.05Å
258	A	93.3	Very high	92.5	Very high	32 Å²	32	75.4 Å²	75.4	26%	0.264	39%	0.388	S	S	.	.			trans	-139	154.7	169.4	0	0	0	0	0	109.9	D260 Q261	A258-D260 VanDerWaalsContact C-N 3.29Å; A258-D260 WeakPolarHBondContact CB-OD1 3.42Å; A258-D260 PolarHBondContact O-N 2.81Å; A258-Q261 HydrophobicContact CB-CG 4.39Å; A258-Q261 WeakPolarHBondContact O-CB 3.43Å; A258-Q261 PolarHBondContact O-N 3.42Å
259	I	92.8	Very high	92.5	Very high	51 Å²	51	76.9 Å²	76.9	26%	0.262	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-60.7	-39	-175.5	-80.2	-168.2	0	0	0	112.1	L241 N242 Q261 I262	L241-I259 HydrophobicContact CB-CD1 3.75Å; L241-I259 HydrophobicContact CB-CG1 4.16Å; N242-I259 HydrophobicContact CB-CD1 3.92Å; N242-I259 WeakPolarHBondContact ND2-CD1 3.32Å; N242-I259 WeakPolarHBondContact OD1-CD1 3.39Å; N242-I259 VanDerWaalsContact OD1-CG1 3.26Å; N242-I259 WeakPolarHBondContact OD1-CG1 3.38Å; I259-Q261 PolarHBondContact O-N 2.85Å; I259-Q261 VanDerWaalsContact O-N 3.16Å; I259-I262 HydrophobicContact CG1-CD1 4.42Å; I259-I262 WeakPolarHBondContact O-CB 3.4Å; I259-I262 WeakPolarHBondContact O-CG1 3.26Å; I259-I262 PolarHBondContact O-N 2.84Å
260	D	92.9	Very high	92.4	Very high	115 Å²	115	82.6 Å²	82.6	62%	0.615	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-64.2	-17.1	-178.8	62.5	-52.1	0	0	0	113.2	A258 R263	A258-D260 VanDerWaalsContact C-N 3.29Å; A258-D260 WeakPolarHBondContact CB-OD1 3.42Å; A258-D260 PolarHBondContact O-N 2.81Å; D260-R263 PolarHBondContact O-NH1 3.17Å
261	Q	91.6	Very high	92.6	Very high	109 Å²	109	84.3 Å²	84.3	51%	0.509	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-87.8	-11.7	174.3	-58.8	175.1	-14.3	0	0	112.9	R256 A258 I259 R263	R256-Q261 PolarHBondContact O-OE1 3.4Å; A258-Q261 HydrophobicContact CB-CG 4.39Å; A258-Q261 WeakPolarHBondContact O-CB 3.43Å; A258-Q261 PolarHBondContact O-N 3.42Å; I259-Q261 PolarHBondContact O-N 2.85Å; I259-Q261 VanDerWaalsContact O-N 3.16Å; Q261-R263 PolarHBondContact O-N 2.89Å
262	I	92.6	Very high	92.9	Very high	16 Å²	16	81.5 Å²	81.5	8%	0.082	43%	0.433	C	S	.	.			trans	-71.8	127.5	176.7	-54.3	178.2	0	0	0	108.3	L241 I259 T266 F333 M336	L241-I262 HydrophobicContact CD2-CD1 3.99Å; I259-I262 HydrophobicContact CG1-CD1 4.42Å; I259-I262 WeakPolarHBondContact O-CB 3.4Å; I259-I262 WeakPolarHBondContact O-CG1 3.26Å; I259-I262 PolarHBondContact O-N 2.84Å; I262-T266 HydrophobicContact CG2-CG2 4.38Å; I262-F333 HydrophobicContact CB-CD1 4.36Å; I262-F333 HydrophobicContact CB-CE1 4.18Å; I262-F333 HydrophobicContact CB-CZ 4.49Å; I262-F333 HydrophobicContact CG2-CB 4.29Å; I262-F333 HydrophobicContact CG2-CD1 3.54Å; I262-F333 HydrophobicContact CG2-CD2 4.32Å; I262-F333 HydrophobicContact CG2-CE1 3.86Å; I262-F333 HydrophobicContact CG2-CG 3.78Å; I262-F333 HydrophobicContact CG2-CZ 4.37Å; I262-F333 WeakPolarHBondContact O-CE1 3.37Å; I262-M336 HydrophobicContact CD1-CE 4.39Å; I262-M336 HydrophobicContact CG2-CG 4.2Å; I262-M336 HydrophobicContact CG2-SD 4.35Å
263	R	94.8	Very high	93.2	Very high	148 Å²	148	75.7 Å²	75.7	56%	0.558	41%	0.413	S	S	*	.			trans	-116.4	164.9	178.9	-60.6	-65.4	-177.9	-120.5	-0.2	109.4	D260 Q261 N265 T266	D260-R263 PolarHBondContact O-NH1 3.17Å; Q261-R263 PolarHBondContact O-N 2.89Å; R263-N265 WeakPolarHBondContact CB-OD1 3.48Å; R263-N265 PolarHBondContact O-N 3.37Å; R263-N265 VanDerWaalsContact O-N 3.14Å; R263-T266 PolarHBondContact N-OG1 2.99Å; R263-T266 WeakPolarHBondContact O-CB 3.44Å; R263-T266 PolarHBondContact O-N 2.82Å; R263-T266 PolarHBondContact O-OG1 3.11Å; R263-T266 VanDerWaalsContact O-OG1 3.14Å
264	S	93	Very high	93.6	Very high	76 Å²	76	77.7 Å²	77.7	53%	0.531	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.9	179.2	58.2	0	0	0	0	113.5	R332	S264-R332 VanDerWaalsContact CA-O 3.24Å; S264-R332 WeakPolarHBondContact CA-O 3.15Å; S264-R332 VanDerWaalsContact CB-O 3.31Å; S264-R332 WeakPolarHBondContact CB-O 3.49Å
265	N	93.2	Very high	93.7	Very high	99 Å²	99	77.1 Å²	77.1	53%	0.529	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.2	179	69.2	-15	0	0	0	114.4	R263 R267	R263-N265 WeakPolarHBondContact CB-OD1 3.48Å; R263-N265 PolarHBondContact O-N 3.37Å; R263-N265 VanDerWaalsContact O-N 3.14Å; N265-R267 PolarHBondContact O-N 3.17Å
266	T	94.3	Very high	94	Very high	40 Å²	40	73 Å²	73	25%	0.245	37%	0.372	C	S	.	.			trans	-61.6	128.6	-178.1	-60.8	0	0	0	0	111	I262 R263 R335 M336	I262-T266 HydrophobicContact CG2-CG2 4.38Å; R263-T266 PolarHBondContact N-OG1 2.99Å; R263-T266 WeakPolarHBondContact O-CB 3.44Å; R263-T266 PolarHBondContact O-N 2.82Å; R263-T266 PolarHBondContact O-OG1 3.11Å; R263-T266 VanDerWaalsContact O-OG1 3.14Å; T266-R335 CarbonylContact O-C 3.52Å; T266-R335 VanDerWaalsContact O-CB 3.31Å; T266-R335 WeakPolarHBondContact O-CB 3.44Å; T266-M336 HydrophobicContact CG2-SD 3.97Å
267	R	94.3	Very high	94.1	Very high	92 Å²	92	66.7 Å²	66.7	35%	0.347	35%	0.353	S	S	.	.			trans	-126.3	137.7	174.4	-72.4	175.1	177.9	-88	-18.9	108.5	N265 D304 R335	N265-R267 PolarHBondContact O-N 3.17Å; R267-D304 IonicContact CZ-OD2 2.69Å; R267-D304 IonicContact NH1-OD2 2.85Å; R267-D304 PolarHBondContact NH1-OD2 2.72Å; R267-D304 IonicContact NH2-OD2 2.75Å; R267-D304 PolarHBondContact NH2-OD2 3.07Å; R267-R335 HydrophobicContact CG-CB 3.88Å
268	L	94.6	Very high	94	Very high	22 Å²	22	70.3 Å²	70.3	12%	0.115	37%	0.372	C	S	.	.			trans	-79.5	140.7	169.7	-61	-173.2	0	0	0	109.6	I244 L248 E272 L273 I276 M336 P337	I244-L268 HydrophobicContact CG2-CD1 4.31Å; L248-L268 HydrophobicContact CD1-CD2 4.07Å; L268-E272 HydrophobicContact CB-CB 4.11Å; L268-L273 HydrophobicContact CB-CD2 4.02Å; L268-L273 HydrophobicContact CB-CG 3.89Å; L268-L273 HydrophobicContact CD1-CD2 4.24Å; L268-I276 HydrophobicContact CD1-CG1 4.27Å; L268-M336 HydrophobicContact CG-SD 4.42Å; L268-P337 HydrophobicContact CD1-CG 3.82Å; L268-P337 HydrophobicContact CG-CG 4.35Å
269	S	95.4	Very high	94	Very high	62 Å²	62	69.2 Å²	69.2	43%	0.434	36%	0.363	S	S	.	.			trans	-67.6	160.6	169.3	62.9	0	0	0	0	111.5	G271 E272 L273	S269-G271 PolarHBondContact O-N 3.15Å; S269-E272 WeakPolarHBondContact CB-OE2 3.45Å; S269-E272 PolarHBondContact N-OE2 3.19Å; S269-E272 PolarHBondContact O-N 2.8Å; S269-E272 VanDerWaalsContact OG-CG 3.29Å; S269-E272 WeakPolarHBondContact OG-CG 3.44Å; S269-E272 PolarHBondContact OG-N 2.93Å; S269-E272 PolarHBondContact OG-OE2 3.21Å; S269-L273 WeakPolarHBondContact O-CG 3.47Å; S269-L273 PolarHBondContact O-N 2.85Å
270	D	94.7	Very high	94	Very high	141 Å²	141	67 Å²	67	75%	0.754	35%	0.352	S	S	*	.	H	α-helix	trans	-58	-34.9	178.3	-65.1	-30.6	0	0	0	112.9	K274	D270-K274 WeakPolarHBondContact O-CB 3.36Å; D270-K274 PolarHBondContact O-N 3.05Å
271	G	95.8	Very high	93.9	Very high	45 Å²	45	68.1 Å²	68.1	46%	0.464	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-45.5	174.7	0	0	0	0	0	112.6	S269 K274 I275	S269-G271 PolarHBondContact O-N 3.15Å; G271-K274 PolarHBondContact O-N 2.86Å; G271-I275 WeakPolarHBondContact O-CG1 3.36Å; G271-I275 PolarHBondContact O-N 2.96Å; G271-I275 VanDerWaalsContact O-N 3.15Å
272	E	95.8	Very high	93.8	Very high	31 Å²	31	64.4 Å²	64.4	15%	0.145	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-42.2	176.5	-69.3	162.4	144.2	0	0	111.3	L248 Y257 L268 S269 K274 I275 I276	L248-E272 HydrophobicContact CD1-CB 4.39Å; L248-E272 HydrophobicContact CD1-CG 4.36Å; L248-E272 HydrophobicContact CD2-CB 3.91Å; L248-E272 HydrophobicContact CD2-CG 3.95Å; Y257-E272 PolarHBondContact OH-OE1 3.05Å; L268-E272 HydrophobicContact CB-CB 4.11Å; S269-E272 WeakPolarHBondContact CB-OE2 3.45Å; S269-E272 PolarHBondContact N-OE2 3.19Å; S269-E272 PolarHBondContact O-N 2.8Å; S269-E272 VanDerWaalsContact OG-CG 3.29Å; S269-E272 WeakPolarHBondContact OG-CG 3.44Å; S269-E272 PolarHBondContact OG-N 2.93Å; S269-E272 PolarHBondContact OG-OE2 3.21Å; E272-K274 VanDerWaalsContact C-N 3.28Å; E272-K274 PolarHBondContact O-N 2.76Å; E272-I275 PolarHBondContact O-N 3.4Å; E272-I275 VanDerWaalsContact O-N 3.17Å; E272-I276 WeakPolarHBondContact O-CG1 3.36Å; E272-I276 PolarHBondContact O-N 3.33Å
273	L	96.1	Very high	93.8	Very high	19 Å²	19	63.9 Å²	63.9	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-58.8	-39.7	174.8	-75.1	170.3	0	0	0	111.8	L268 S269 G277 I301 P303 P337	L268-L273 HydrophobicContact CB-CD2 4.02Å; L268-L273 HydrophobicContact CB-CG 3.89Å; L268-L273 HydrophobicContact CD1-CD2 4.24Å; S269-L273 WeakPolarHBondContact O-CG 3.47Å; S269-L273 PolarHBondContact O-N 2.85Å; L273-G277 WeakPolarHBondContact O-CA 3.11Å; L273-G277 PolarHBondContact O-N 2.97Å; L273-I301 HydrophobicContact CD2-CD1 4.4Å; L273-P303 HydrophobicContact CD1-CB 3.76Å; L273-P303 HydrophobicContact CD1-CG 4.3Å; L273-P303 HydrophobicContact CD2-CB 4.48Å; L273-P337 HydrophobicContact CD2-CB 4.36Å; L273-P337 HydrophobicContact CD2-CG 3.67Å
274	K	95.1	Very high	93.7	Very high	149 Å²	149	59.1 Å²	59.1	65%	0.648	32%	0.321	S	S	*	.	H	α-helix	trans	-63.7	-44.7	175.3	-172.5	176.2	-177.7	175.5	0	111.7	D270 G271 E272 Q278	D270-K274 WeakPolarHBondContact O-CB 3.36Å; D270-K274 PolarHBondContact O-N 3.05Å; G271-K274 PolarHBondContact O-N 2.86Å; E272-K274 VanDerWaalsContact C-N 3.28Å; E272-K274 PolarHBondContact O-N 2.76Å; K274-Q278 WeakPolarHBondContact O-CG 3.37Å; K274-Q278 PolarHBondContact O-N 3.21Å; K274-Q278 VanDerWaalsContact O-N 3.07Å
275	I	93.9	Very high	93.8	Very high	89 Å²	89	55.6 Å²	55.6	46%	0.456	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-50.5	177.4	-66.9	166.7	0	0	0	110.3	V247 L248 G271 E272 Q278 A279	V247-I275 HydrophobicContact CG1-CG2 3.82Å; L248-I275 HydrophobicContact CD2-CB 4.45Å; L248-I275 HydrophobicContact CD2-CG2 4.27Å; G271-I275 WeakPolarHBondContact O-CG1 3.36Å; G271-I275 PolarHBondContact O-N 2.96Å; G271-I275 VanDerWaalsContact O-N 3.15Å; E272-I275 PolarHBondContact O-N 3.4Å; E272-I275 VanDerWaalsContact O-N 3.17Å; I275-Q278 PolarHBondContact O-N 3.15Å; I275-A279 WeakPolarHBondContact O-CB 3.48Å; I275-A279 PolarHBondContact O-N 2.98Å
276	I	95.2	Very high	93.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-45.6	-179.5	-66.7	-50.6	0	0	0	111.3	I244 V247 L248 L268 E272 Q278 A279 V280 I301	I244-I276 HydrophobicContact CB-CD1 4.2Å; I244-I276 HydrophobicContact CD1-CG2 4.33Å; I244-I276 HydrophobicContact CG1-CD1 4.12Å; I244-I276 HydrophobicContact CG1-CG1 4.37Å; I244-I276 HydrophobicContact CG1-CG2 3.94Å; I244-I276 HydrophobicContact CG2-CD1 3.98Å; I244-I276 HydrophobicContact CG2-CG1 4.11Å; V247-I276 HydrophobicContact CB-CD1 3.82Å; V247-I276 HydrophobicContact CG1-CD1 3.66Å; L248-I276 HydrophobicContact CD2-CD1 3.9Å; L248-I276 HydrophobicContact CD2-CG1 3.95Å; L248-I276 HydrophobicContact CG-CD1 3.86Å; L248-I276 HydrophobicContact CG-CG1 4.19Å; L268-I276 HydrophobicContact CD1-CG1 4.27Å; E272-I276 WeakPolarHBondContact O-CG1 3.36Å; E272-I276 PolarHBondContact O-N 3.33Å; I276-Q278 VanDerWaalsContact C-N 3.26Å; I276-Q278 PolarHBondContact O-N 3.42Å; I276-A279 CarbonylContact O-C 3.57Å; I276-A279 WeakPolarHBondContact O-CA 3.46Å; I276-A279 WeakPolarHBondContact O-CB 3.31Å; I276-A279 PolarHBondContact O-N 3.5Å; I276-V280 HydrophobicContact CG2-CG1 3.99Å; I276-V280 WeakPolarHBondContact O-CG2 3.5Å; I276-V280 PolarHBondContact O-N 3.24Å; I276-I301 HydrophobicContact CG2-CD1 3.69Å
277	G	93.9	Very high	93.9	Very high	15 Å²	15	51.1 Å²	51.1	16%	0.155	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-41	178.2	0	0	0	0	0	111.9	L273 K281	L273-G277 WeakPolarHBondContact O-CA 3.11Å; L273-G277 PolarHBondContact O-N 2.97Å; G277-K281 WeakPolarHBondContact O-CB 3.43Å; G277-K281 PolarHBondContact O-N 2.98Å
278	Q	90.7	Very high	94	Very high	126 Å²	126	50.3 Å²	50.3	59%	0.589	28%	0.278	S	S	*	.	H	α-helix	trans	-64.7	-47.2	170.1	-73	-176.8	-2	0	0	111.4	K274 I275 I276 K366	K274-Q278 WeakPolarHBondContact O-CG 3.37Å; K274-Q278 PolarHBondContact O-N 3.21Å; K274-Q278 VanDerWaalsContact O-N 3.07Å; I275-Q278 PolarHBondContact O-N 3.15Å; I276-Q278 VanDerWaalsContact C-N 3.26Å; I276-Q278 PolarHBondContact O-N 3.42Å; Q278-K366 PolarHBondContact O-NZ 3.45Å
279	A	92.4	Very high	93.9	Very high	9 Å²	9	50.6 Å²	50.6	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-56.6	-52.7	-177.4	0	0	0	0	0	113.2	Y243 V247 I275 I276 I283 K366	Y243-A279 HydrophobicContact CE1-CB 4.23Å; V247-A279 HydrophobicContact CB-CB 4.44Å; V247-A279 HydrophobicContact CG1-CB 3.68Å; V247-A279 HydrophobicContact CG2-CB 4.01Å; I275-A279 WeakPolarHBondContact O-CB 3.48Å; I275-A279 PolarHBondContact O-N 2.98Å; I276-A279 CarbonylContact O-C 3.57Å; I276-A279 WeakPolarHBondContact O-CA 3.46Å; I276-A279 WeakPolarHBondContact O-CB 3.31Å; I276-A279 PolarHBondContact O-N 3.5Å; A279-I283 WeakPolarHBondContact O-CD1 3.45Å; A279-K366 PolarHBondContact O-NZ 2.95Å
280	V	93.4	Very high	93.6	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.03	27%	0.274	C	S	.	.	H	α-helix	trans	-76.5	-21.5	-173.7	-58.7	0	0	0	0	114	Y243 I276 G282 I283 V298 L339	Y243-V280 HydrophobicContact CD1-CG1 4.12Å; Y243-V280 HydrophobicContact CE1-CG1 3.87Å; I276-V280 HydrophobicContact CG2-CG1 3.99Å; I276-V280 WeakPolarHBondContact O-CG2 3.5Å; I276-V280 PolarHBondContact O-N 3.24Å; V280-G282 PolarHBondContact O-N 3.35Å; V280-G282 VanDerWaalsContact O-N 3.17Å; V280-I283 WeakPolarHBondContact O-CB 3.47Å; V280-I283 WeakPolarHBondContact O-CG1 3.41Å; V280-I283 PolarHBondContact O-N 3.41Å; V280-V298 HydrophobicContact CB-CG1 4.2Å; V280-V298 HydrophobicContact CG2-CG1 3.84Å; V280-V298 WeakPolarHBondContact O-CB 3.25Å; V280-L339 HydrophobicContact CB-CD2 4.24Å; V280-L339 HydrophobicContact CG1-CD2 4.26Å; V280-L339 HydrophobicContact CG2-CD2 4.04Å
281	K	90.8	Very high	93.1	Very high	138 Å²	138	55 Å²	55	60%	0.6	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	122.1	-176.9	-171.3	175.3	-174.4	178.6	0	111.5	G277 I283	G277-K281 WeakPolarHBondContact O-CB 3.43Å; G277-K281 PolarHBondContact O-N 2.98Å; K281-I283 VanDerWaalsContact C-N 3.33Å
282	G	89.6	Confident	92.2	Very high	31 Å²	31	54.2 Å²	54.2	32%	0.32	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-10.4	178.6	0	0	0	0	0	115.3	V280 V298	V280-G282 PolarHBondContact O-N 3.35Å; V280-G282 VanDerWaalsContact O-N 3.17Å; G282-V298 WeakPolarHBondContact CA-O 3.48Å; G282-V298 PolarHBondContact N-O 3Å
283	I	93	Very high	91.2	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.026	29%	0.292	C	S	.	.			trans	-69.5	147.1	174.1	-55.1	-177.2	0	0	0	109	Y235 Y243 A279 V280 K281 V298 V357	Y235-I283 HydrophobicContact CD1-CD1 3.81Å; Y235-I283 HydrophobicContact CD1-CG1 4.46Å; Y235-I283 HydrophobicContact CE1-CD1 3.3Å; Y235-I283 HydrophobicContact CE1-CG1 3.84Å; Y235-I283 HydrophobicContact CE2-CG1 4.27Å; Y243-I283 HydrophobicContact CE1-CD1 3.81Å; Y243-I283 HydrophobicContact CE2-CD1 4.45Å; Y243-I283 WeakPolarHBondContact OH-CD1 3.44Å; A279-I283 WeakPolarHBondContact O-CD1 3.45Å; V280-I283 WeakPolarHBondContact O-CB 3.47Å; V280-I283 WeakPolarHBondContact O-CG1 3.41Å; V280-I283 PolarHBondContact O-N 3.41Å; K281-I283 VanDerWaalsContact C-N 3.33Å; I283-V298 WeakPolarHBondContact O-CG2 3.49Å; I283-V298 PolarHBondContact O-N 3.39Å; I283-V357 HydrophobicContact CG2-CG1 4.02Å
284	R	93.2	Very high	90.5	Very high	47 Å²	47	54.7 Å²	54.7	18%	0.177	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.2	168.9	-57.3	177	-72.9	171.1	-7.5	110.9	Q295 Y296 R297 A358 Q361	R284-Q295 HydrophobicContact CB-CB 4.22Å; R284-Y296 CarbonylContact C-O 3.58Å; R284-Y296 VanDerWaalsContact CA-O 3.28Å; R284-Y296 WeakPolarHBondContact CA-O 3.42Å; R284-R297 HydrophobicContact CG-CB 4.48Å; R284-A358 HydrophobicContact CB-CB 4.21Å; R284-A358 WeakPolarHBondContact O-CB 3.28Å; R284-A358 PolarHBondContact O-N 3.31Å; R284-Q361 PolarHBondContact O-NE2 2.75Å
285	V	95.4	Very high	90.3	Very high	3 Å²	3	49 Å²	49	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.8	176.1	-61.3	0	0	0	0	110.9	V240 Q295 Y296 V298 L339 L350 C355 N356	V240-V285 HydrophobicContact CG2-CG1 3.86Å; V285-Q295 CarbonylContact O-C 3.5Å; V285-Q295 WeakPolarHBondContact O-CA 3.41Å; V285-Y296 PolarHBondContact N-O 3.27Å; V285-Y296 PolarHBondContact O-N 2.82Å; V285-V298 HydrophobicContact CG1-CG2 4Å; V285-V298 HydrophobicContact CG2-CG2 4.06Å; V285-L339 HydrophobicContact CB-CD1 4.41Å; V285-L339 HydrophobicContact CG1-CD1 3.85Å; V285-L339 HydrophobicContact CG2-CD1 3.97Å; V285-L350 HydrophobicContact CG2-CD1 4.38Å; V285-C355 HydrophobicContact CB-CB 4.4Å; V285-N356 CarbonylContact C-O 3.44Å; V285-N356 WeakPolarHBondContact CA-O 3.35Å; V285-N356 VanDerWaalsContact CB-O 3.26Å; V285-N356 WeakPolarHBondContact CB-O 3.46Å
286	T	94.8	Very high	90.2	Very high	35 Å²	35	45.6 Å²	45.6	22%	0.215	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	165.2	164.2	54.3	0	0	0	0	109.4	Q295 C355 N356 A358	T286-Q295 HydrophobicContact CG2-CG 3.84Å; T286-C355 WeakPolarHBondContact O-CA 3.42Å; T286-N356 PolarHBondContact N-O 2.86Å; T286-N356 PolarHBondContact O-N 3.37Å; T286-A358 HydrophobicContact CG2-CB 4.18Å
287	V	94.6	Very high	90	Very high	10 Å²	10	53.5 Å²	53.5	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	150.4	-179	-63	0	0	0	0	111.3	R290 C292 Y296 L350 V354	V287-R290 HydrophobicContact CG2-CG 3.97Å; V287-C292 HydrophobicContact CG2-CB 4.16Å; V287-Y296 HydrophobicContact CG1-CD2 4Å; V287-Y296 HydrophobicContact CG1-CE2 3.95Å; V287-Y296 HydrophobicContact CG2-CE2 4.23Å; V287-L350 HydrophobicContact CG1-CD1 3.84Å; V287-L350 HydrophobicContact CG1-CD2 3.99Å; V287-L350 HydrophobicContact CG1-CG 4.47Å; V287-V354 CarbonylContact C-O 3.56Å; V287-V354 VanDerWaalsContact CA-O 3.26Å; V287-V354 WeakPolarHBondContact CA-O 3.48Å
288	T	94.8	Very high	90	Very high	75 Å²	75	52.9 Å²	52.9	46%	0.46	27%	0.269	S	S	.	.	S	Bend	trans	-111.7	-16.7	-178.4	56.9	0	0	0	0	114.2	R290 V354 N356	T288-R290 PolarHBondContact O-N 3.4Å; T288-V354 PolarHBondContact N-O 2.62Å; T288-V354 VanDerWaalsContact OG1-CA 3.29Å; T288-V354 WeakPolarHBondContact OG1-CA 3.41Å; T288-V354 PolarHBondContact OG1-O 3.27Å; T288-N356 WeakPolarHBondContact CG2-ND2 3.42Å
289	H	93	Very high	90.1	Very high	27 Å²	27	49.4 Å²	49.4	13%	0.125	25%	0.254	C	S	.	.	S	Bend	trans	-71.7	-6.4	-179.4	64.2	-86.3	0	0	0	114	F324 Y328 L329 V354	H289-F324 HydrophobicContact CB-CE1 3.96Å; H289-F324 AromaticContact CG-CE1 3.67Å; H289-F324 AromaticContact ND1-CE1 3.83Å; H289-Y328 AromaticContact CD2-CD2 3.91Å; H289-Y328 AromaticContact CD2-CE1 3.99Å; H289-Y328 AromaticContact CD2-CE2 3.87Å; H289-Y328 AromaticContact CD2-CG 4Å; H289-Y328 AromaticContact CD2-CZ 3.91Å; H289-L329 HydrophobicContact CB-CD2 4.21Å; H289-V354 HydrophobicContact CB-CB 4.17Å; H289-V354 HydrophobicContact CB-CG1 4.1Å
290	R	90.2	Very high	90.1	Very high	89 Å²	89	49.7 Å²	49.7	34%	0.336	26%	0.257	S	S	.	.	S	Bend	trans	-154.2	153.7	177.2	63.2	-179.1	-179.3	-163.7	-2.8	110.5	V287 T288 C292 Y296	V287-R290 HydrophobicContact CG2-CG 3.97Å; T288-R290 PolarHBondContact O-N 3.4Å; R290-C292 HydrophobicContact CG-CB 3.99Å; R290-C292 PolarHBondContact O-N 3.37Å; R290-Y296 PolarHBondContact NH2-OH 3.21Å
291	E	83.5	Confident	90.2	Very high	206 Å²	206	51.2 Å²	51.2	96%	0.963	27%	0.265	S	S	*	.			trans	-69.6	100.3	170.4	-68.4	-167.8	164.7	0	0	110.2
292	C	77.4	Confident	90.4	Very high	30 Å²	30	44.8 Å²	44.8	20%	0.203	24%	0.237	C	C	.	.			trans	-150.6	118.8	179.7	-171.7	0	0	0	0	110.6	V287 R290 A294	V287-C292 HydrophobicContact CG2-CB 4.16Å; R290-C292 HydrophobicContact CG-CB 3.99Å; R290-C292 PolarHBondContact O-N 3.37Å; C292-A294 PolarHBondContact O-N 3.45Å; C292-A294 WeakPolarHBondContact SG-CB 3.45Å; C292-A294 PolarHBondContact SG-N 3.13Å
293	G	73.5	Confident	90.6	Very high	57 Å²	57	46.9 Å²	46.9	59%	0.588	25%	0.245	S	C	*	.			trans	-75.3	-1.1	173.4	0	0	0	0	0	114.3
294	A	82.8	Confident	90.6	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.017	25%	0.247	C	C	.	.			trans	-72.3	143.2	-177.3	0	0	0	0	0	112.1	L121 S123 N124 C292 Y296	L121-A294 CarbonylContact O-C 3.13Å; L121-A294 WeakPolarHBondContact O-CA 3.27Å; S123-A294 WeakPolarHBondContact O-CB 3.3Å; N124-A294 WeakPolarHBondContact OD1-CB 3.33Å; C292-A294 PolarHBondContact O-N 3.45Å; C292-A294 WeakPolarHBondContact SG-CB 3.45Å; C292-A294 PolarHBondContact SG-N 3.13Å; A294-Y296 HydrophobicContact CB-CE2 4.13Å
295	Q	90.7	Very high	90.7	Very high	29 Å²	29	44.9 Å²	44.9	14%	0.136	24%	0.239	C	C	.	.			trans	-108.4	128.4	176.8	-67.2	-175.2	2.5	0	0	110.2	L121 R284 V285 T286 A358	L121-Q295 HydrophobicContact CB-CB 4.4Å; L121-Q295 HydrophobicContact CB-CG 4.35Å; L121-Q295 HydrophobicContact CD2-CG 4.18Å; L121-Q295 PolarHBondContact O-N 2.66Å; R284-Q295 HydrophobicContact CB-CB 4.22Å; V285-Q295 CarbonylContact O-C 3.5Å; V285-Q295 WeakPolarHBondContact O-CA 3.41Å; T286-Q295 HydrophobicContact CG2-CG 3.84Å; Q295-A358 HydrophobicContact CG-CB 3.99Å
296	Y	91.6	Very high	90.7	Very high	18 Å²	18	46.7 Å²	46.7	7%	0.071	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.6	-179	-62.4	-93.1	0	0	0	109.4	N124 R284 V285 V287 R290 A294 V298 A341 I348 L350	N124-Y296 PolarHBondContact ND2-OH 3.37Å; N124-Y296 PolarHBondContact OD1-OH 2.86Å; R284-Y296 CarbonylContact C-O 3.58Å; R284-Y296 VanDerWaalsContact CA-O 3.28Å; R284-Y296 WeakPolarHBondContact CA-O 3.42Å; V285-Y296 PolarHBondContact N-O 3.27Å; V285-Y296 PolarHBondContact O-N 2.82Å; V287-Y296 HydrophobicContact CG1-CD2 4Å; V287-Y296 HydrophobicContact CG1-CE2 3.95Å; V287-Y296 HydrophobicContact CG2-CE2 4.23Å; R290-Y296 PolarHBondContact NH2-OH 3.21Å; A294-Y296 HydrophobicContact CB-CE2 4.13Å; Y296-V298 PolarHBondContact O-N 2.87Å; Y296-A341 HydrophobicContact CD1-CB 4.42Å; Y296-I348 HydrophobicContact CD1-CD1 4.34Å; Y296-I348 HydrophobicContact CE1-CD1 4.21Å; Y296-L350 HydrophobicContact CD1-CD1 4.27Å; Y296-L350 HydrophobicContact CD2-CD1 4.12Å; Y296-L350 HydrophobicContact CG-CD1 3.84Å
297	R	91.5	Very high	90.7	Very high	167 Å²	167	53.3 Å²	53.3	63%	0.63	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	120.3	172.8	-174.5	176.1	-179.6	170.6	-0.6	109.4	R284	R284-R297 HydrophobicContact CG-CB 4.48Å
298	V	93.9	Very high	90.8	Very high	1 Å²	1	55 Å²	55	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.2	178.4	-177.7	0	0	0	0	109.8	V280 G282 I283 V285 Y296 G300 L339 Q340	V280-V298 HydrophobicContact CB-CG1 4.2Å; V280-V298 HydrophobicContact CG2-CG1 3.84Å; V280-V298 WeakPolarHBondContact O-CB 3.25Å; G282-V298 WeakPolarHBondContact CA-O 3.48Å; G282-V298 PolarHBondContact N-O 3Å; I283-V298 WeakPolarHBondContact O-CG2 3.49Å; I283-V298 PolarHBondContact O-N 3.39Å; V285-V298 HydrophobicContact CG1-CG2 4Å; V285-V298 HydrophobicContact CG2-CG2 4.06Å; Y296-V298 PolarHBondContact O-N 2.87Å; V298-G300 VanDerWaalsContact CG1-O 3.3Å; V298-G300 WeakPolarHBondContact CG1-O 2.99Å; V298-L339 HydrophobicContact CG1-CB 4.4Å; V298-L339 HydrophobicContact CG1-CD2 4.24Å; V298-L339 HydrophobicContact CG2-CB 4.31Å; V298-L339 HydrophobicContact CG2-CD1 3.92Å; V298-Q340 WeakPolarHBondContact CA-O 3.04Å
299	I	92.9	Very high	90.7	Very high	54 Å²	54	55.6 Å²	55.6	28%	0.277	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-19.9	177.9	60.9	167.1	0	0	0	112.8	Q340	I299-Q340 HydrophobicContact CD1-CG 4.15Å; I299-Q340 HydrophobicContact CG1-CB 4.32Å; I299-Q340 HydrophobicContact CG1-CG 3.97Å; I299-Q340 VanDerWaalsContact CG1-O 3.3Å; I299-Q340 WeakPolarHBondContact CG1-O 3.45Å; I299-Q340 PolarHBondContact N-O 3.46Å
300	G	92.6	Very high	90.7	Very high	14 Å²	14	56.8 Å²	56.8	14%	0.144	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	-168.3	-177	0	0	0	0	0	112.5	V298 Q340	V298-G300 VanDerWaalsContact CG1-O 3.3Å; V298-G300 WeakPolarHBondContact CG1-O 2.99Å; G300-Q340 PolarHBondContact N-O 3.42Å; G300-Q340 PolarHBondContact O-N 3.33Å
301	I	94.6	Very high	90.8	Very high	38 Å²	38	56.5 Å²	56.5	20%	0.195	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.7	-179.7	-167.1	168.8	0	0	0	109.5	L273 I276 P337 A338	L273-I301 HydrophobicContact CD2-CD1 4.4Å; I276-I301 HydrophobicContact CG2-CD1 3.69Å; I301-P337 HydrophobicContact CD1-CB 3.49Å; I301-P337 VanDerWaalsContact CD1-CB 3.49Å; I301-P337 HydrophobicContact CD1-CG 3.98Å; I301-P337 HydrophobicContact CG1-CB 3.59Å; I301-A338 WeakPolarHBondContact CA-O 3.45Å
302	A	94.8	Very high	91	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.017	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.1	166.8	0	0	0	0	0	108.6	D304 Q308 P337 A338 Y349	A302-D304 VanDerWaalsContact C-N 3.29Å; A302-D304 PolarHBondContact O-N 3.21Å; A302-Q308 HydrophobicContact CB-CB 4.02Å; A302-Q308 HydrophobicContact CB-CG 3.77Å; A302-Q308 VanDerWaalsContact CB-OE1 3.22Å; A302-P337 CarbonylContact O-C 3.51Å; A302-P337 WeakPolarHBondContact O-CA 3.34Å; A302-P337 VanDerWaalsContact O-CB 3.24Å; A302-P337 WeakPolarHBondContact O-CB 3.44Å; A302-A338 HydrophobicContact CB-CB 4.29Å; A302-A338 PolarHBondContact N-O 3.43Å; A302-A338 PolarHBondContact O-N 2.84Å; A302-Y349 HydrophobicContact CB-CD1 3.94Å; A302-Y349 HydrophobicContact CB-CE1 3.94Å
303	P	93.2	Very high	91.4	Very high	76 Å²	76	56.8 Å²	56.8	49%	0.494	29%	0.291	S	S	.	.	S	Bend	trans	-58	-33.5	-171.9	-29.6	36.6	0	0	0	115.9	L273 P337	L273-P303 HydrophobicContact CD1-CB 3.76Å; L273-P303 HydrophobicContact CD1-CG 4.3Å; L273-P303 HydrophobicContact CD2-CB 4.48Å; P303-P337 WeakPolarHBondContact O-CA 3.43Å
304	D	93.9	Very high	92.2	Very high	9 Å²	9	59.6 Å²	59.6	5%	0.048	29%	0.293	C	S	.	.			trans	-151.3	115	-167.2	-179.3	-15.6	0	0	0	109.7	R267 A302 S306 R307 Q308 R335	R267-D304 IonicContact CZ-OD2 2.69Å; R267-D304 IonicContact NH1-OD2 2.85Å; R267-D304 PolarHBondContact NH1-OD2 2.72Å; R267-D304 IonicContact NH2-OD2 2.75Å; R267-D304 PolarHBondContact NH2-OD2 3.07Å; A302-D304 VanDerWaalsContact C-N 3.29Å; A302-D304 PolarHBondContact O-N 3.21Å; D304-S306 VanDerWaalsContact CG-OG 3.3Å; D304-S306 PolarHBondContact O-N 2.7Å; D304-S306 WeakPolarHBondContact OD1-CA 3.48Å; D304-S306 WeakPolarHBondContact OD1-CB 3.33Å; D304-S306 PolarHBondContact OD1-N 3.5Å; D304-S306 PolarHBondContact OD1-OG 3.01Å; D304-S306 PolarHBondContact OD2-OG 2.74Å; D304-R307 HydrophobicContact CB-CB 4.14Å; D304-R307 HydrophobicContact CB-CG 4.41Å; D304-R307 PolarHBondContact O-N 3.08Å; D304-R307 VanDerWaalsContact O-N 3.17Å; D304-R307 PolarHBondContact OD1-N 2.8Å; D304-R307 VanDerWaalsContact OD2-CD 3.31Å; D304-R307 WeakPolarHBondContact OD2-CD 3.09Å; D304-R307 WeakPolarHBondContact OD2-CG 3.46Å; D304-R307 IonicContact OD2-NE 3.61Å; D304-Q308 WeakPolarHBondContact O-CB 3.12Å; D304-Q308 PolarHBondContact O-N 2.77Å; D304-R335 WeakPolarHBondContact OD1-CA 3.48Å
305	A	95.2	Very high	92.5	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.008	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.4	-179.7	0	0	0	0	0	113.2	R307 V320 A321 L331 P334 M336 A338	A305-R307 VanDerWaalsContact C-N 3.3Å; A305-V320 HydrophobicContact CB-CB 4.39Å; A305-V320 HydrophobicContact CB-CG1 4.3Å; A305-V320 WeakPolarHBondContact O-CB 3Å; A305-V320 PolarHBondContact O-N 2.97Å; A305-A321 PolarHBondContact O-N 2.76Å; A305-L331 HydrophobicContact CB-CD1 4.3Å; A305-P334 CarbonylContact C-O 3.5Å; A305-P334 WeakPolarHBondContact CB-O 3.29Å; A305-P334 PolarHBondContact N-O 3.3Å; A305-M336 PolarHBondContact N-O 3.42Å; A305-A338 HydrophobicContact CB-CB 4.23Å
306	S	95.4	Very high	92.6	Very high	41 Å²	41	66 Å²	66	29%	0.287	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-18.1	175.7	70.8	0	0	0	0	113.7	D304 P334	D304-S306 VanDerWaalsContact CG-OG 3.3Å; D304-S306 PolarHBondContact O-N 2.7Å; D304-S306 WeakPolarHBondContact OD1-CA 3.48Å; D304-S306 WeakPolarHBondContact OD1-CB 3.33Å; D304-S306 PolarHBondContact OD1-N 3.5Å; D304-S306 PolarHBondContact OD1-OG 3.01Å; D304-S306 PolarHBondContact OD2-OG 2.74Å; S306-P334 PolarHBondContact N-O 3.36Å
307	R	94.9	Very high	92.7	Very high	173 Å²	173	71.6 Å²	71.6	65%	0.653	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-16.9	178.8	-66.4	-178.7	176.1	-177.5	-3.1	113.7	D304 A305 I309	D304-R307 HydrophobicContact CB-CB 4.14Å; D304-R307 HydrophobicContact CB-CG 4.41Å; D304-R307 PolarHBondContact O-N 3.08Å; D304-R307 VanDerWaalsContact O-N 3.17Å; D304-R307 PolarHBondContact OD1-N 2.8Å; D304-R307 VanDerWaalsContact OD2-CD 3.31Å; D304-R307 WeakPolarHBondContact OD2-CD 3.09Å; D304-R307 WeakPolarHBondContact OD2-CG 3.46Å; D304-R307 IonicContact OD2-NE 3.61Å; A305-R307 VanDerWaalsContact C-N 3.3Å; R307-I309 PolarHBondContact O-N 3.23Å; R307-I309 VanDerWaalsContact O-N 3.16Å
308	Q	95.6	Very high	93	Very high	47 Å²	47	64.2 Å²	64.2	22%	0.22	33%	0.331	C	S	.	.			trans	-73.1	108	177.2	-178.3	59.3	62.8	0	0	109.4	A302 D304 S319 V320 Y349	A302-Q308 HydrophobicContact CB-CB 4.02Å; A302-Q308 HydrophobicContact CB-CG 3.77Å; A302-Q308 VanDerWaalsContact CB-OE1 3.22Å; D304-Q308 WeakPolarHBondContact O-CB 3.12Å; D304-Q308 PolarHBondContact O-N 2.77Å; Q308-S319 CarbonylContact O-C 3.44Å; Q308-S319 VanDerWaalsContact O-CA 3.32Å; Q308-S319 WeakPolarHBondContact O-CA 3.16Å; Q308-V320 HydrophobicContact CB-CG2 4.02Å; Q308-V320 HydrophobicContact CG-CG2 3.87Å; Q308-V320 WeakPolarHBondContact O-CG2 3.39Å; Q308-V320 PolarHBondContact O-N 2.66Å; Q308-Y349 HydrophobicContact CG-CD1 3.87Å; Q308-Y349 HydrophobicContact CG-CD2 4.16Å; Q308-Y349 HydrophobicContact CG-CE1 3.96Å; Q308-Y349 HydrophobicContact CG-CE2 4.25Å; Q308-Y349 HydrophobicContact CG-CG 3.97Å
309	I	94.6	Very high	93.1	Very high	86 Å²	86	64.6 Å²	64.6	44%	0.441	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	147.4	175.6	-61.9	175.3	0	0	0	109.7	R307 E317 I318	R307-I309 PolarHBondContact O-N 3.23Å; R307-I309 VanDerWaalsContact O-N 3.16Å; I309-E317 HydrophobicContact CG2-CB 3.77Å; I309-E317 HydrophobicContact CG2-CG 4.33Å; I309-I318 WeakPolarHBondContact CA-O 3.44Å
310	F	92.1	Very high	93.3	Very high	53 Å²	53	62.1 Å²	62.1	23%	0.232	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.8	167	73	-72.3	0	0	0	110.2	L312 I318 V320 F323 Y349	F310-L312 HydrophobicContact CE2-CD2 3.67Å; F310-L312 HydrophobicContact CZ-CD2 3.9Å; F310-I318 HydrophobicContact CD1-CG2 4.32Å; F310-I318 WeakPolarHBondContact CD1-O 3.49Å; F310-I318 HydrophobicContact CE1-CG2 3.77Å; F310-I318 HydrophobicContact CZ-CG2 3.96Å; F310-I318 PolarHBondContact N-O 3.16Å; F310-I318 PolarHBondContact O-N 3.12Å; F310-I318 VanDerWaalsContact O-N 3.09Å; F310-V320 HydrophobicContact CD1-CG2 3.98Å; F310-V320 HydrophobicContact CE1-CG2 4.26Å; F310-F323 HydrophobicContact CE1-CB 3.76Å; F310-F323 HydrophobicContact CE1-CD1 4.24Å; F310-F323 AromaticContact CE1-CG 4Å; F310-F323 HydrophobicContact CE1-CG 4Å; F310-F323 HydrophobicContact CZ-CB 3.79Å; F310-F323 AromaticContact CZ-CD1 3.71Å; F310-F323 HydrophobicContact CZ-CD1 3.71Å; F310-F323 AromaticContact CZ-CD2 3.89Å; F310-F323 HydrophobicContact CZ-CD2 3.89Å; F310-F323 HydrophobicContact CZ-CE1 4.23Å; F310-F323 HydrophobicContact CZ-CE2 4.4Å; F310-F323 AromaticContact CZ-CG 3.51Å; F310-F323 HydrophobicContact CZ-CG 3.51Å; F310-Y349 HydrophobicContact CB-CD2 4.42Å
311	T	91.3	Very high	93.5	Very high	82 Å²	82	61.9 Å²	61.9	50%	0.503	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.7	-179	-40.2	0	0	0	0	110.5	G315	T311-G315 WeakPolarHBondContact CG2-O 3.26Å
312	L	88.5	Confident	93.6	Very high	33 Å²	33	62.8 Å²	62.8	17%	0.173	32%	0.323	C	S	.	.			trans	-75.7	171.3	173.3	-67.8	177.9	0	0	0	111.6	F310 D314 G315 R316 I318 F323	F310-L312 HydrophobicContact CE2-CD2 3.67Å; F310-L312 HydrophobicContact CZ-CD2 3.9Å; L312-D314 WeakPolarHBondContact CB-OD1 3.29Å; L312-D314 PolarHBondContact O-N 3.49Å; L312-G315 PolarHBondContact O-N 3.16Å; L312-G315 VanDerWaalsContact O-N 3.08Å; L312-R316 WeakPolarHBondContact CB-O 3.13Å; L312-R316 HydrophobicContact CD1-CB 4.31Å; L312-R316 PolarHBondContact N-O 3.01Å; L312-I318 HydrophobicContact CD1-CG2 3.91Å; L312-I318 HydrophobicContact CD2-CG2 4.1Å; L312-I318 HydrophobicContact CG-CG2 3.78Å; L312-F323 HydrophobicContact CD2-CD2 3.84Å; L312-F323 HydrophobicContact CD2-CE2 3.87Å
313	Q	85.6	Confident	93.7	Very high	210 Å²	210	64.7 Å²	64.7	98%	0.981	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.9	179.7	-70.6	-174.9	-18.2	0	0	113.4
314	D	89.7	Confident	93.9	Very high	116 Å²	116	61.3 Å²	61.3	62%	0.62	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	0.8	175.2	61.7	2.8	0	0	0	112.9	L312 R316	L312-D314 WeakPolarHBondContact CB-OD1 3.29Å; L312-D314 PolarHBondContact O-N 3.49Å; D314-R316 VanDerWaalsContact C-N 3.34Å; D314-R316 VanDerWaalsContact OD1-CB 3.29Å; D314-R316 WeakPolarHBondContact OD1-CB 3.4Å; D314-R316 PolarHBondContact OD1-N 3.35Å; D314-R316 IonicContact OD2-NE 3.05Å
315	G	89.5	Confident	94	Very high	50 Å²	50	67.5 Å²	67.5	52%	0.515	33%	0.331	S	S	.	.	S	Bend	trans	86.3	-5.6	-178.2	0	0	0	0	0	114.9	T311 L312	T311-G315 WeakPolarHBondContact CG2-O 3.26Å; L312-G315 PolarHBondContact O-N 3.16Å; L312-G315 VanDerWaalsContact O-N 3.08Å
316	R	92.6	Very high	94.1	Very high	114 Å²	114	72.4 Å²	72.4	43%	0.43	35%	0.354	S	S	.	.			trans	-70.1	131.3	179.3	-176.8	169.9	61.7	131.1	6.6	110.8	L312 D314 E326	L312-R316 WeakPolarHBondContact CB-O 3.13Å; L312-R316 HydrophobicContact CD1-CB 4.31Å; L312-R316 PolarHBondContact N-O 3.01Å; D314-R316 VanDerWaalsContact C-N 3.34Å; D314-R316 VanDerWaalsContact OD1-CB 3.29Å; D314-R316 WeakPolarHBondContact OD1-CB 3.4Å; D314-R316 PolarHBondContact OD1-N 3.35Å; D314-R316 IonicContact OD2-NE 3.05Å; R316-E326 IonicContact CZ-OE2 2.92Å; R316-E326 IonicContact NH1-OE1 2.81Å; R316-E326 PolarHBondContact NH1-OE1 3.13Å; R316-E326 IonicContact NH1-OE2 3.04Å; R316-E326 PolarHBondContact NH1-OE2 2.87Å; R316-E326 VanDerWaalsContact NH1-OE2 3.07Å; R316-E326 IonicContact NH2-OE2 3.72Å; R316-E326 PolarHBondContact NH2-OE2 3.35Å
317	E	94.8	Very high	94	Very high	137 Å²	137	73.8 Å²	73.8	64%	0.64	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	129.7	170.9	-68.1	-163.1	149.2	0	0	110.3	I309	I309-E317 HydrophobicContact CG2-CB 3.77Å; I309-E317 HydrophobicContact CG2-CG 4.33Å
318	I	96.5	Very high	94	Very high	12 Å²	12	70 Å²	70	6%	0.062	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.9	-178.7	-168.3	166.3	0	0	0	110.2	I309 F310 L312 D322 F323 E326	I309-I318 WeakPolarHBondContact CA-O 3.44Å; F310-I318 HydrophobicContact CD1-CG2 4.32Å; F310-I318 WeakPolarHBondContact CD1-O 3.49Å; F310-I318 HydrophobicContact CE1-CG2 3.77Å; F310-I318 HydrophobicContact CZ-CG2 3.96Å; F310-I318 PolarHBondContact N-O 3.16Å; F310-I318 PolarHBondContact O-N 3.12Å; F310-I318 VanDerWaalsContact O-N 3.09Å; L312-I318 HydrophobicContact CD1-CG2 3.91Å; L312-I318 HydrophobicContact CD2-CG2 4.1Å; L312-I318 HydrophobicContact CG-CG2 3.78Å; I318-D322 HydrophobicContact CD1-CB 4.03Å; I318-D322 HydrophobicContact CG1-CB 3.72Å; I318-F323 HydrophobicContact CD1-CB 4.14Å; I318-F323 HydrophobicContact CG1-CB 4.32Å; I318-F323 HydrophobicContact CG2-CB 3.99Å; I318-E326 WeakPolarHBondContact CD1-OE1 3.33Å
319	S	96.7	Very high	94	Very high	8 Å²	8	70.9 Å²	70.9	6%	0.056	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	153.6	172.1	82.9	0	0	0	0	111	Q308 A321 D322 F323	Q308-S319 CarbonylContact O-C 3.44Å; Q308-S319 VanDerWaalsContact O-CA 3.32Å; Q308-S319 WeakPolarHBondContact O-CA 3.16Å; S319-A321 PolarHBondContact O-N 2.77Å; S319-D322 WeakPolarHBondContact CB-OD2 3.18Å; S319-D322 PolarHBondContact O-N 3.08Å; S319-D322 WeakPolarHBondContact OG-CB 3.31Å; S319-D322 PolarHBondContact OG-N 3.47Å; S319-D322 PolarHBondContact OG-OD2 2.87Å; S319-F323 WeakPolarHBondContact O-CB 3.48Å; S319-F323 PolarHBondContact O-N 3.34Å
320	V	97	Very high	94.2	Very high	2 Å²	2	71.7 Å²	71.7	1%	0.012	36%	0.362	C	S	.	.	H	α-helix	trans	-58	-41.4	174.9	174.9	0	0	0	0	110.5	A305 Q308 F310 F324 Y349 P351	A305-V320 HydrophobicContact CB-CB 4.39Å; A305-V320 HydrophobicContact CB-CG1 4.3Å; A305-V320 WeakPolarHBondContact O-CB 3Å; A305-V320 PolarHBondContact O-N 2.97Å; Q308-V320 HydrophobicContact CB-CG2 4.02Å; Q308-V320 HydrophobicContact CG-CG2 3.87Å; Q308-V320 WeakPolarHBondContact O-CG2 3.39Å; Q308-V320 PolarHBondContact O-N 2.66Å; F310-V320 HydrophobicContact CD1-CG2 3.98Å; F310-V320 HydrophobicContact CE1-CG2 4.26Å; V320-F324 HydrophobicContact CG1-CD2 4.04Å; V320-F324 HydrophobicContact CG1-CE2 4.19Å; V320-F324 VanDerWaalsContact O-CD2 3.3Å; V320-F324 WeakPolarHBondContact O-CD2 3.31Å; V320-F324 PolarHBondContact O-N 2.74Å; V320-F324 VanDerWaalsContact O-N 3.08Å; V320-Y349 HydrophobicContact CG2-CD2 4.47Å; V320-Y349 HydrophobicContact CG2-CG 4.17Å; V320-P351 HydrophobicContact CG1-CG 3.61Å
321	A	97.1	Very high	94.4	Very high	10 Å²	10	69.7 Å²	69.7	8%	0.083	35%	0.354	C	S	.	.	H	α-helix	trans	-65.1	-43.7	178.7	0	0	0	0	0	112.8	A305 S319 F324 R325 L331 P334	A305-A321 PolarHBondContact O-N 2.76Å; S319-A321 PolarHBondContact O-N 2.77Å; A321-F324 PolarHBondContact O-N 2.93Å; A321-R325 PolarHBondContact O-N 2.83Å; A321-L331 HydrophobicContact CB-CD1 4.09Å; A321-P334 HydrophobicContact CB-CB 4.06Å
322	D	97.1	Very high	94.6	Very high	56 Å²	56	73.6 Å²	73.6	30%	0.299	36%	0.359	S	S	.	.	H	α-helix	trans	-68.1	-40.8	-179.9	-61.7	-41	0	0	0	111.2	I318 S319 F324 R325 E326	I318-D322 HydrophobicContact CD1-CB 4.03Å; I318-D322 HydrophobicContact CG1-CB 3.72Å; S319-D322 WeakPolarHBondContact CB-OD2 3.18Å; S319-D322 PolarHBondContact O-N 3.08Å; S319-D322 WeakPolarHBondContact OG-CB 3.31Å; S319-D322 PolarHBondContact OG-N 3.47Å; S319-D322 PolarHBondContact OG-OD2 2.87Å; D322-F324 VanDerWaalsContact C-N 3.34Å; D322-F324 PolarHBondContact O-N 3.36Å; D322-R325 WeakPolarHBondContact O-CB 3.45Å; D322-R325 PolarHBondContact O-N 3.45Å; D322-R325 IonicContact OD1-CZ 2.95Å; D322-R325 IonicContact OD1-NH1 3.55Å; D322-R325 IonicContact OD1-NH2 3.55Å; D322-R325 PolarHBondContact OD1-NH2 2.88Å; D322-E326 WeakPolarHBondContact O-CG 3.31Å; D322-E326 PolarHBondContact O-N 3.02Å
323	F	96.9	Very high	95	Very high	43 Å²	43	73.2 Å²	73.2	19%	0.189	36%	0.356	C	S	.	.	H	α-helix	trans	-59.5	-44	174	172.3	-106.4	0	0	0	112.3	F310 L312 I318 S319 R325 E326 T327 Y328	F310-F323 HydrophobicContact CE1-CB 3.76Å; F310-F323 HydrophobicContact CE1-CD1 4.24Å; F310-F323 AromaticContact CE1-CG 4Å; F310-F323 HydrophobicContact CE1-CG 4Å; F310-F323 HydrophobicContact CZ-CB 3.79Å; F310-F323 AromaticContact CZ-CD1 3.71Å; F310-F323 HydrophobicContact CZ-CD1 3.71Å; F310-F323 AromaticContact CZ-CD2 3.89Å; F310-F323 HydrophobicContact CZ-CD2 3.89Å; F310-F323 HydrophobicContact CZ-CE1 4.23Å; F310-F323 HydrophobicContact CZ-CE2 4.4Å; F310-F323 AromaticContact CZ-CG 3.51Å; F310-F323 HydrophobicContact CZ-CG 3.51Å; L312-F323 HydrophobicContact CD2-CD2 3.84Å; L312-F323 HydrophobicContact CD2-CE2 3.87Å; I318-F323 HydrophobicContact CD1-CB 4.14Å; I318-F323 HydrophobicContact CG1-CB 4.32Å; I318-F323 HydrophobicContact CG2-CB 3.99Å; S319-F323 WeakPolarHBondContact O-CB 3.48Å; S319-F323 PolarHBondContact O-N 3.34Å; F323-R325 VanDerWaalsContact C-N 3.34Å; F323-E326 PolarHBondContact O-N 2.97Å; F323-T327 WeakPolarHBondContact CD2-OG1 3.47Å; F323-T327 HydrophobicContact CE2-CG2 4.36Å; F323-T327 VanDerWaalsContact CE2-OG1 3.25Å; F323-T327 WeakPolarHBondContact CE2-OG1 3.37Å; F323-T327 HydrophobicContact CZ-CG2 4.22Å; F323-T327 VanDerWaalsContact O-CB 3.27Å; F323-T327 WeakPolarHBondContact O-CB 3.31Å; F323-T327 PolarHBondContact O-N 3.25Å; F323-T327 PolarHBondContact O-OG1 2.87Å; F323-Y328 HydrophobicContact CE1-CD2 4.45Å; F323-Y328 AromaticContact CE1-CE2 3.75Å; F323-Y328 HydrophobicContact CE1-CE2 3.75Å; F323-Y328 HydrophobicContact CZ-CE2 4.14Å
324	F	97.3	Very high	95.5	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.022	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-41.4	176.4	-95.7	-100.3	0	0	0	111.6	H289 V320 A321 D322 T327 Y328 L329 L331 P351 V354	H289-F324 HydrophobicContact CB-CE1 3.96Å; H289-F324 AromaticContact CG-CE1 3.67Å; H289-F324 AromaticContact ND1-CE1 3.83Å; V320-F324 HydrophobicContact CG1-CD2 4.04Å; V320-F324 HydrophobicContact CG1-CE2 4.19Å; V320-F324 VanDerWaalsContact O-CD2 3.3Å; V320-F324 WeakPolarHBondContact O-CD2 3.31Å; V320-F324 PolarHBondContact O-N 2.74Å; V320-F324 VanDerWaalsContact O-N 3.08Å; A321-F324 PolarHBondContact O-N 2.93Å; D322-F324 VanDerWaalsContact C-N 3.34Å; D322-F324 PolarHBondContact O-N 3.36Å; F324-T327 PolarHBondContact O-N 2.97Å; F324-Y328 AromaticContact CD1-CD2 3.91Å; F324-Y328 HydrophobicContact CD1-CD2 3.91Å; F324-Y328 AromaticContact CE1-CD2 3.95Å; F324-Y328 HydrophobicContact CE1-CD2 3.95Å; F324-Y328 HydrophobicContact CG-CD2 4.28Å; F324-Y328 HydrophobicContact CZ-CD2 4.36Å; F324-Y328 CarbonylContact O-C 3.57Å; F324-Y328 WeakPolarHBondContact O-CA 3.4Å; F324-Y328 PolarHBondContact O-N 2.88Å; F324-L329 CarbonylContact C-O 3.6Å; F324-L329 CarbonylContact O-C 3.58Å; F324-L329 PolarHBondContact O-N 2.78Å; F324-L331 HydrophobicContact CB-CD1 4.49Å; F324-L331 HydrophobicContact CB-CD2 4.31Å; F324-L331 HydrophobicContact CB-CG 4.18Å; F324-L331 HydrophobicContact CD1-CD2 4.13Å; F324-L331 HydrophobicContact CG-CD2 4.32Å; F324-P351 HydrophobicContact CD1-CG 4.49Å; F324-P351 HydrophobicContact CD2-CG 3.89Å; F324-P351 HydrophobicContact CE1-CG 4.4Å; F324-P351 HydrophobicContact CE2-CG 3.78Å; F324-P351 HydrophobicContact CG-CG 4.25Å; F324-P351 VanDerWaalsContact CZ-CD 3.49Å; F324-P351 HydrophobicContact CZ-CG 4.05Å; F324-V354 HydrophobicContact CE1-CB 4.42Å; F324-V354 HydrophobicContact CE1-CG1 4.11Å; F324-V354 HydrophobicContact CE1-CG2 3.77Å; F324-V354 HydrophobicContact CZ-CG2 3.96Å
325	R	96.8	Very high	95.8	Very high	138 Å²	138	64.4 Å²	64.4	52%	0.521	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-41.4	175.5	-179.7	-178.3	60	-164.8	-9.5	112.4	A321 D322 F323 L329	A321-R325 PolarHBondContact O-N 2.83Å; D322-R325 WeakPolarHBondContact O-CB 3.45Å; D322-R325 PolarHBondContact O-N 3.45Å; D322-R325 IonicContact OD1-CZ 2.95Å; D322-R325 IonicContact OD1-NH1 3.55Å; D322-R325 IonicContact OD1-NH2 3.55Å; D322-R325 PolarHBondContact OD1-NH2 2.88Å; F323-R325 VanDerWaalsContact C-N 3.34Å; R325-L329 PolarHBondContact N-O 2.65Å
326	E	95.5	Very high	96.2	Very high	104 Å²	104	62.2 Å²	62.2	49%	0.486	29%	0.286	S	S	.	.	H	α-helix	trans	-70.8	-35.8	178.3	-74.4	-178.9	-162.4	0	0	112.8	R316 I318 D322 F323	R316-E326 IonicContact CZ-OE2 2.92Å; R316-E326 IonicContact NH1-OE1 2.81Å; R316-E326 PolarHBondContact NH1-OE1 3.13Å; R316-E326 IonicContact NH1-OE2 3.04Å; R316-E326 PolarHBondContact NH1-OE2 2.87Å; R316-E326 VanDerWaalsContact NH1-OE2 3.07Å; R316-E326 IonicContact NH2-OE2 3.72Å; R316-E326 PolarHBondContact NH2-OE2 3.35Å; I318-E326 WeakPolarHBondContact CD1-OE1 3.33Å; D322-E326 WeakPolarHBondContact O-CG 3.31Å; D322-E326 PolarHBondContact O-N 3.02Å; F323-E326 PolarHBondContact O-N 2.97Å
327	T	94.7	Very high	96.4	Very high	71 Å²	71	56.9 Å²	56.9	44%	0.436	27%	0.266	S	S	.	.	H	α-helix	trans	-106.9	-31.9	-165.9	-45.9	0	0	0	0	114.1	F323 F324	F323-T327 WeakPolarHBondContact CD2-OG1 3.47Å; F323-T327 HydrophobicContact CE2-CG2 4.36Å; F323-T327 VanDerWaalsContact CE2-OG1 3.25Å; F323-T327 WeakPolarHBondContact CE2-OG1 3.37Å; F323-T327 HydrophobicContact CZ-CG2 4.22Å; F323-T327 VanDerWaalsContact O-CB 3.27Å; F323-T327 WeakPolarHBondContact O-CB 3.31Å; F323-T327 PolarHBondContact O-N 3.25Å; F323-T327 PolarHBondContact O-OG1 2.87Å; F324-T327 PolarHBondContact O-N 2.97Å
328	Y	94.7	Very high	96.5	Very high	92 Å²	92	50.3 Å²	50.3	36%	0.361	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-74.5	-169.8	-56.3	-65.2	0	0	0	112.5	H289 F323 F324	H289-Y328 AromaticContact CD2-CD2 3.91Å; H289-Y328 AromaticContact CD2-CE1 3.99Å; H289-Y328 AromaticContact CD2-CE2 3.87Å; H289-Y328 AromaticContact CD2-CG 4Å; H289-Y328 AromaticContact CD2-CZ 3.91Å; F323-Y328 HydrophobicContact CE1-CD2 4.45Å; F323-Y328 AromaticContact CE1-CE2 3.75Å; F323-Y328 HydrophobicContact CE1-CE2 3.75Å; F323-Y328 HydrophobicContact CZ-CE2 4.14Å; F324-Y328 AromaticContact CD1-CD2 3.91Å; F324-Y328 HydrophobicContact CD1-CD2 3.91Å; F324-Y328 AromaticContact CE1-CD2 3.95Å; F324-Y328 HydrophobicContact CE1-CD2 3.95Å; F324-Y328 HydrophobicContact CG-CD2 4.28Å; F324-Y328 HydrophobicContact CZ-CD2 4.36Å; F324-Y328 CarbonylContact O-C 3.57Å; F324-Y328 WeakPolarHBondContact O-CA 3.4Å; F324-Y328 PolarHBondContact O-N 2.88Å
329	L	96.2	Very high	96.5	Very high	67 Å²	67	49.8 Å²	49.8	35%	0.351	23%	0.233	S	C	.	.			trans	-156.9	152.8	-172.6	63.8	90.9	0	0	0	111.2	H289 F324 R325 L331 V354	H289-L329 HydrophobicContact CB-CD2 4.21Å; F324-L329 CarbonylContact C-O 3.6Å; F324-L329 CarbonylContact O-C 3.58Å; F324-L329 PolarHBondContact O-N 2.78Å; R325-L329 PolarHBondContact N-O 2.65Å; L329-L331 HydrophobicContact CD1-CD2 3.99Å; L329-L331 PolarHBondContact O-N 3.11Å; L329-V354 HydrophobicContact CD2-CG1 4.47Å
330	T	97.2	Very high	96.5	Very high	102 Å²	102	51.3 Å²	51.3	63%	0.626	24%	0.239	S	C	*	.			trans	-73.3	119.2	170.5	-56.6	0	0	0	0	110.2	R332	T330-R332 PolarHBondContact O-N 2.86Å
331	L	96.9	Very high	96.3	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.063	24%	0.239	C	C	.	.			trans	-63.3	132.7	176.1	-61.4	-179.2	0	0	0	110.8	A305 A321 F324 L329 F333 P334 P351 V354	A305-L331 HydrophobicContact CB-CD1 4.3Å; A321-L331 HydrophobicContact CB-CD1 4.09Å; F324-L331 HydrophobicContact CB-CD1 4.49Å; F324-L331 HydrophobicContact CB-CD2 4.31Å; F324-L331 HydrophobicContact CB-CG 4.18Å; F324-L331 HydrophobicContact CD1-CD2 4.13Å; F324-L331 HydrophobicContact CG-CD2 4.32Å; L329-L331 HydrophobicContact CD1-CD2 3.99Å; L329-L331 PolarHBondContact O-N 3.11Å; L331-F333 VanDerWaalsContact C-N 3.34Å; L331-P334 HydrophobicContact CB-CB 4.28Å; L331-P351 HydrophobicContact CD1-CB 3.8Å; L331-P351 HydrophobicContact CD1-CG 3.65Å; L331-P351 HydrophobicContact CD2-CB 3.94Å; L331-P351 HydrophobicContact CD2-CG 4.06Å; L331-P351 HydrophobicContact CG-CG 4.49Å; L331-V354 HydrophobicContact CD2-CG1 4.27Å
332	R	96.2	Very high	95.7	Very high	163 Å²	163	52.8 Å²	52.8	62%	0.615	26%	0.256	S	S	*	.	S	Bend	trans	-73.8	-30.6	172.7	-64.2	179.6	-68.4	179.7	-2.6	111.4	S264 T330 P334 E353	S264-R332 VanDerWaalsContact CA-O 3.24Å; S264-R332 WeakPolarHBondContact CA-O 3.15Å; S264-R332 VanDerWaalsContact CB-O 3.31Å; S264-R332 WeakPolarHBondContact CB-O 3.49Å; T330-R332 PolarHBondContact O-N 2.86Å; R332-P334 WeakPolarHBondContact O-CD 3.32Å; R332-E353 VanDerWaalsContact CB-OE1 3.29Å; R332-E353 WeakPolarHBondContact CB-OE1 3.48Å; R332-E353 WeakPolarHBondContact CG-OE1 3.27Å; R332-E353 IonicContact CZ-OE1 3.67Å; R332-E353 PolarHBondContact N-OE1 2.9Å; R332-E353 PolarHBondContact N-OE2 2.99Å; R332-E353 IonicContact NE-OE1 3.86Å; R332-E353 PolarHBondContact NE-OE1 3.12Å; R332-E353 IonicContact NH2-OE1 2.73Å; R332-E353 PolarHBondContact NH2-OE1 3.12Å
333	F	96.2	Very high	95	Very high	26 Å²	26	53 Å²	53	11%	0.114	26%	0.261	C	S	.	.			trans	-121.9	60.6	-176.4	-41.8	-61.1	0	0	0	111.9	L241 I262 L331 R335 M336 E353	L241-F333 HydrophobicContact CD1-CD2 3.82Å; L241-F333 HydrophobicContact CD1-CE2 3.74Å; I262-F333 HydrophobicContact CB-CD1 4.36Å; I262-F333 HydrophobicContact CB-CE1 4.18Å; I262-F333 HydrophobicContact CB-CZ 4.49Å; I262-F333 HydrophobicContact CG2-CB 4.29Å; I262-F333 HydrophobicContact CG2-CD1 3.54Å; I262-F333 HydrophobicContact CG2-CD2 4.32Å; I262-F333 HydrophobicContact CG2-CE1 3.86Å; I262-F333 HydrophobicContact CG2-CG 3.78Å; I262-F333 HydrophobicContact CG2-CZ 4.37Å; I262-F333 WeakPolarHBondContact O-CE1 3.37Å; L331-F333 VanDerWaalsContact C-N 3.34Å; F333-R335 PolarHBondContact O-N 3.37Å; F333-R335 VanDerWaalsContact O-N 3.12Å; F333-M336 HydrophobicContact CB-CB 4.13Å; F333-M336 HydrophobicContact CB-CG 3.67Å; F333-M336 WeakPolarHBondContact O-CB 3.47Å; F333-M336 PolarHBondContact O-N 3.03Å; F333-E353 HydrophobicContact CD2-CB 4.34Å; F333-E353 HydrophobicContact CD2-CG 4.12Å; F333-E353 PolarHBondContact N-OE2 2.82Å; F333-E353 VanDerWaalsContact N-OE2 3.07Å
334	P	96.2	Very high	94	Very high	35 Å²	35	60.1 Å²	60.1	23%	0.227	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.6	-171.5	28.7	-36.6	0	0	0	113.5	A305 S306 A321 L331 R332	A305-P334 CarbonylContact C-O 3.5Å; A305-P334 WeakPolarHBondContact CB-O 3.29Å; A305-P334 PolarHBondContact N-O 3.3Å; S306-P334 PolarHBondContact N-O 3.36Å; A321-P334 HydrophobicContact CB-CB 4.06Å; L331-P334 HydrophobicContact CB-CB 4.28Å; R332-P334 WeakPolarHBondContact O-CD 3.32Å
335	R	96.5	Very high	93.1	Very high	105 Å²	105	69.6 Å²	69.6	40%	0.396	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.4	176.7	-64.4	-168.4	179.7	-175	-1.1	114.4	T266 R267 D304 F333	T266-R335 CarbonylContact O-C 3.52Å; T266-R335 VanDerWaalsContact O-CB 3.31Å; T266-R335 WeakPolarHBondContact O-CB 3.44Å; R267-R335 HydrophobicContact CG-CB 3.88Å; D304-R335 WeakPolarHBondContact OD1-CA 3.48Å; F333-R335 PolarHBondContact O-N 3.37Å; F333-R335 VanDerWaalsContact O-N 3.12Å
336	M	96.7	Very high	92.5	Very high	5 Å²	5	73 Å²	73	3%	0.025	35%	0.346	C	S	.	.	S	Bend	trans	-74.3	160.8	171.2	-72.6	-69.6	-74.3	0	0	110.5	L241 I244 I262 T266 L268 A305 F333 V352	L241-M336 HydrophobicContact CD2-CE 3.9Å; I244-M336 HydrophobicContact CD1-CE 4.46Å; I262-M336 HydrophobicContact CD1-CE 4.39Å; I262-M336 HydrophobicContact CG2-CG 4.2Å; I262-M336 HydrophobicContact CG2-SD 4.35Å; T266-M336 HydrophobicContact CG2-SD 3.97Å; L268-M336 HydrophobicContact CG-SD 4.42Å; A305-M336 PolarHBondContact N-O 3.42Å; F333-M336 HydrophobicContact CB-CB 4.13Å; F333-M336 HydrophobicContact CB-CG 3.67Å; F333-M336 WeakPolarHBondContact O-CB 3.47Å; F333-M336 PolarHBondContact O-N 3.03Å; M336-V352 HydrophobicContact CB-CG2 3.8Å; M336-V352 HydrophobicContact CE-CG2 4.37Å
337	P	97	Very high	92.1	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.006	34%	0.336	C	S	.	.			trans	-63.7	160.9	-176.7	-23.2	34.5	0	0	0	114	L268 L273 I301 A302 P303 V352	L268-P337 HydrophobicContact CD1-CG 3.82Å; L268-P337 HydrophobicContact CG-CG 4.35Å; L273-P337 HydrophobicContact CD2-CB 4.36Å; L273-P337 HydrophobicContact CD2-CG 3.67Å; I301-P337 HydrophobicContact CD1-CB 3.49Å; I301-P337 VanDerWaalsContact CD1-CB 3.49Å; I301-P337 HydrophobicContact CD1-CG 3.98Å; I301-P337 HydrophobicContact CG1-CB 3.59Å; A302-P337 CarbonylContact O-C 3.51Å; A302-P337 WeakPolarHBondContact O-CA 3.34Å; A302-P337 VanDerWaalsContact O-CB 3.24Å; A302-P337 WeakPolarHBondContact O-CB 3.44Å; P303-P337 WeakPolarHBondContact O-CA 3.43Å; P337-V352 HydrophobicContact CB-CG1 4.37Å; P337-V352 VanDerWaalsContact O-CG1 3.26Å; P337-V352 WeakPolarHBondContact O-CG1 3.38Å; P337-V352 WeakPolarHBondContact O-CG2 3.47Å; P337-V352 PolarHBondContact O-N 2.95Å; P337-V352 VanDerWaalsContact O-N 3.16Å
338	A	97.4	Very high	92	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.5	163.5	0	0	0	0	0	110.2	I301 A302 A305 L350	I301-A338 WeakPolarHBondContact CA-O 3.45Å; A302-A338 HydrophobicContact CB-CB 4.29Å; A302-A338 PolarHBondContact N-O 3.43Å; A302-A338 PolarHBondContact O-N 2.84Å; A305-A338 HydrophobicContact CB-CB 4.23Å; A338-L350 CarbonylContact C-O 3.24Å; A338-L350 WeakPolarHBondContact CA-O 3.28Å
339	L	97.2	Very high	92.1	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.5	172.1	-60	179.5	0	0	0	109.5	V240 V280 V285 V298 Y349 L350 V352 C355	V240-L339 HydrophobicContact CG1-CD1 4.12Å; V240-L339 HydrophobicContact CG1-CD2 4.42Å; V240-L339 HydrophobicContact CG2-CD1 4.12Å; V280-L339 HydrophobicContact CB-CD2 4.24Å; V280-L339 HydrophobicContact CG1-CD2 4.26Å; V280-L339 HydrophobicContact CG2-CD2 4.04Å; V285-L339 HydrophobicContact CB-CD1 4.41Å; V285-L339 HydrophobicContact CG1-CD1 3.85Å; V285-L339 HydrophobicContact CG2-CD1 3.97Å; V298-L339 HydrophobicContact CG1-CB 4.4Å; V298-L339 HydrophobicContact CG1-CD2 4.24Å; V298-L339 HydrophobicContact CG2-CB 4.31Å; V298-L339 HydrophobicContact CG2-CD1 3.92Å; L339-Y349 WeakPolarHBondContact O-CA 3.42Å; L339-L350 PolarHBondContact N-O 2.94Å; L339-L350 PolarHBondContact O-N 3.4Å; L339-V352 HydrophobicContact CD2-CG1 4.07Å; L339-V352 HydrophobicContact CG-CG1 4.02Å; L339-C355 HydrophobicContact CD1-CB 4.06Å
340	Q	95.4	Very high	92.1	Very high	40 Å²	40	64.9 Å²	64.9	19%	0.187	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.1	171.2	-170.1	-173.7	15.4	0	0	109	V298 I299 G300 S347 I348 Y349	V298-Q340 WeakPolarHBondContact CA-O 3.04Å; I299-Q340 HydrophobicContact CD1-CG 4.15Å; I299-Q340 HydrophobicContact CG1-CB 4.32Å; I299-Q340 HydrophobicContact CG1-CG 3.97Å; I299-Q340 VanDerWaalsContact CG1-O 3.3Å; I299-Q340 WeakPolarHBondContact CG1-O 3.45Å; I299-Q340 PolarHBondContact N-O 3.46Å; G300-Q340 PolarHBondContact N-O 3.42Å; G300-Q340 PolarHBondContact O-N 3.33Å; Q340-S347 PolarHBondContact NE2-OG 3Å; Q340-I348 CarbonylContact C-O 3.58Å; Q340-I348 WeakPolarHBondContact CA-O 3.33Å; Q340-Y349 HydrophobicContact CB-CD1 4.23Å; Q340-Y349 HydrophobicContact CB-CE1 4.02Å; Q340-Y349 HydrophobicContact CG-CD1 4.33Å; Q340-Y349 HydrophobicContact CG-CE1 3.82Å
341	A	92.4	Very high	92.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	-179.9	174.7	0	0	0	0	0	110.9	Y296 I348	Y296-A341 HydrophobicContact CD1-CB 4.42Å; A341-I348 HydrophobicContact CB-CB 4.4Å; A341-I348 PolarHBondContact N-O 2.94Å; A341-I348 PolarHBondContact O-N 3.27Å
342	G	84.3	Confident	92.1	Very high	43 Å²	43	59.8 Å²	59.8	44%	0.443	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83.1	-137.2	-178.4	0	0	0	0	0	112.2
343	S	82.3	Confident	92.1	Very high	59 Å²	59	53.3 Å²	53.3	41%	0.413	26%	0.255	S	S	.	.			trans	-115.8	161	176.7	71.7	0	0	0	0	110.2	K345 R346 S347	S343-K345 PolarHBondContact O-N 3.04Å; S343-K345 VanDerWaalsContact O-N 3.16Å; S343-K345 PolarHBondContact OG-N 3.39Å; S343-R346 PolarHBondContact N-O 3.17Å; S343-R346 VanDerWaalsContact N-O 3.12Å; S343-R346 CarbonylContact O-C 3.47Å; S343-R346 PolarHBondContact O-N 3.15Å; S343-R346 VanDerWaalsContact O-N 3.13Å; S343-R346 VanDerWaalsContact O-O 3.07Å; S343-R346 PolarHBondContact OG-N 2.97Å; S343-S347 WeakPolarHBondContact O-CA 3.23Å; S343-S347 PolarHBondContact O-N 2.94Å; S343-S347 VanDerWaalsContact O-N 3.16Å; S343-S347 PolarHBondContact O-OG 3.32Å
344	K	76.2	Confident	92.2	Very high	193 Å²	193	52.2 Å²	52.2	84%	0.839	25%	0.25	S	S	*	.	S	Bend	trans	-55.9	-33.5	174.4	-68.9	-172.3	177.8	-175.1	0	112.7
345	K	79	Confident	92.2	Very high	204 Å²	204	50.5 Å²	50.5	89%	0.887	24%	0.24	S	C	*	.	S	Bend	trans	-79.9	-28.1	179.4	-64.7	-172.6	177.9	-173.6	0	113.8	S343	S343-K345 PolarHBondContact O-N 3.04Å; S343-K345 VanDerWaalsContact O-N 3.16Å; S343-K345 PolarHBondContact OG-N 3.39Å
346	R	84.1	Confident	92.2	Very high	210 Å²	210	48.1 Å²	48.1	79%	0.792	24%	0.235	S	C	*	.	S	Bend	trans	-132.7	78.8	177.4	-72.3	-171.9	-178.8	178.3	0.7	108.1	S343	S343-R346 PolarHBondContact N-O 3.17Å; S343-R346 VanDerWaalsContact N-O 3.12Å; S343-R346 CarbonylContact O-C 3.47Å; S343-R346 PolarHBondContact O-N 3.15Å; S343-R346 VanDerWaalsContact O-N 3.13Å; S343-R346 VanDerWaalsContact O-O 3.07Å; S343-R346 PolarHBondContact OG-N 2.97Å
347	S	88.1	Confident	92.2	Very high	39 Å²	39	48.2 Å²	48.2	27%	0.273	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.9	-178.2	-67.3	0	0	0	0	110	Q340 S343	Q340-S347 PolarHBondContact NE2-OG 3Å; S343-S347 WeakPolarHBondContact O-CA 3.23Å; S343-S347 PolarHBondContact O-N 2.94Å; S343-S347 VanDerWaalsContact O-N 3.16Å; S343-S347 PolarHBondContact O-OG 3.32Å
348	I	92.4	Very high	92	Very high	70 Å²	70	48.3 Å²	48.3	36%	0.359	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.6	171.4	-58	171.9	0	0	0	106.2	Y296 Q340 A341 L350	Y296-I348 HydrophobicContact CD1-CD1 4.34Å; Y296-I348 HydrophobicContact CE1-CD1 4.21Å; Q340-I348 CarbonylContact C-O 3.58Å; Q340-I348 WeakPolarHBondContact CA-O 3.33Å; A341-I348 HydrophobicContact CB-CB 4.4Å; A341-I348 PolarHBondContact N-O 2.94Å; A341-I348 PolarHBondContact O-N 3.27Å; I348-L350 HydrophobicContact CG2-CD2 3.94Å; I348-L350 HydrophobicContact CG2-CG 4.07Å
349	Y	95.6	Very high	91.7	Very high	49 Å²	49	53.8 Å²	53.8	19%	0.192	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.5	176.8	-64.1	-78.2	0	0	0	110.1	A302 Q308 F310 V320 L339 Q340	A302-Y349 HydrophobicContact CB-CD1 3.94Å; A302-Y349 HydrophobicContact CB-CE1 3.94Å; Q308-Y349 HydrophobicContact CG-CD1 3.87Å; Q308-Y349 HydrophobicContact CG-CD2 4.16Å; Q308-Y349 HydrophobicContact CG-CE1 3.96Å; Q308-Y349 HydrophobicContact CG-CE2 4.25Å; Q308-Y349 HydrophobicContact CG-CG 3.97Å; F310-Y349 HydrophobicContact CB-CD2 4.42Å; V320-Y349 HydrophobicContact CG2-CD2 4.47Å; V320-Y349 HydrophobicContact CG2-CG 4.17Å; L339-Y349 WeakPolarHBondContact O-CA 3.42Å; Q340-Y349 HydrophobicContact CB-CD1 4.23Å; Q340-Y349 HydrophobicContact CB-CE1 4.02Å; Q340-Y349 HydrophobicContact CG-CD1 4.33Å; Q340-Y349 HydrophobicContact CG-CE1 3.82Å
350	L	96.2	Very high	91.4	Very high	6 Å²	6	56 Å²	56	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	111.6	-178.2	-59	172.4	0	0	0	108.8	V285 V287 Y296 A338 L339 I348 V352 C355	V285-L350 HydrophobicContact CG2-CD1 4.38Å; V287-L350 HydrophobicContact CG1-CD1 3.84Å; V287-L350 HydrophobicContact CG1-CD2 3.99Å; V287-L350 HydrophobicContact CG1-CG 4.47Å; Y296-L350 HydrophobicContact CD1-CD1 4.27Å; Y296-L350 HydrophobicContact CD2-CD1 4.12Å; Y296-L350 HydrophobicContact CG-CD1 3.84Å; A338-L350 CarbonylContact C-O 3.24Å; A338-L350 WeakPolarHBondContact CA-O 3.28Å; L339-L350 PolarHBondContact N-O 2.94Å; L339-L350 PolarHBondContact O-N 3.4Å; I348-L350 HydrophobicContact CG2-CD2 3.94Å; I348-L350 HydrophobicContact CG2-CG 4.07Å; L350-V352 PolarHBondContact O-N 2.86Å; L350-C355 VanDerWaalsContact CB-SG 3.52Å
351	P	97.7	Very high	91.2	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	136.5	174.2	-26.5	34.5	0	0	0	111.1	V320 F324 L331 E353 V354 C355	V320-P351 HydrophobicContact CG1-CG 3.61Å; F324-P351 HydrophobicContact CD1-CG 4.49Å; F324-P351 HydrophobicContact CD2-CG 3.89Å; F324-P351 HydrophobicContact CE1-CG 4.4Å; F324-P351 HydrophobicContact CE2-CG 3.78Å; F324-P351 HydrophobicContact CG-CG 4.25Å; F324-P351 VanDerWaalsContact CZ-CD 3.49Å; F324-P351 HydrophobicContact CZ-CG 4.05Å; L331-P351 HydrophobicContact CD1-CB 3.8Å; L331-P351 HydrophobicContact CD1-CG 3.65Å; L331-P351 HydrophobicContact CD2-CB 3.94Å; L331-P351 HydrophobicContact CD2-CG 4.06Å; L331-P351 HydrophobicContact CG-CG 4.49Å; P351-E353 PolarHBondContact O-N 3.44Å; P351-E353 VanDerWaalsContact O-N 3.08Å; P351-V354 HydrophobicContact CB-CG2 4.16Å; P351-V354 HydrophobicContact CG-CG2 4.37Å; P351-V354 VanDerWaalsContact O-CG2 3.22Å; P351-V354 WeakPolarHBondContact O-CG2 3.21Å; P351-V354 PolarHBondContact O-N 2.96Å; P351-C355 PolarHBondContact O-SG 3.46Å
352	V	97.4	Very high	91.1	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.012	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-60.1	-24.1	-177.9	-67.7	0	0	0	0	112.9	V240 L241 I244 M336 P337 L339 L350 V354 C355	V240-V352 HydrophobicContact CB-CB 4.45Å; V240-V352 HydrophobicContact CG1-CB 3.88Å; V240-V352 HydrophobicContact CG1-CG1 3.82Å; L241-V352 HydrophobicContact CD2-CB 4.45Å; L241-V352 HydrophobicContact CD2-CG2 3.67Å; L241-V352 HydrophobicContact CG-CG2 4.47Å; I244-V352 HydrophobicContact CD1-CB 4.06Å; I244-V352 HydrophobicContact CD1-CG1 3.79Å; I244-V352 HydrophobicContact CD1-CG2 4.23Å; M336-V352 HydrophobicContact CB-CG2 3.8Å; M336-V352 HydrophobicContact CE-CG2 4.37Å; P337-V352 HydrophobicContact CB-CG1 4.37Å; P337-V352 VanDerWaalsContact O-CG1 3.26Å; P337-V352 WeakPolarHBondContact O-CG1 3.38Å; P337-V352 WeakPolarHBondContact O-CG2 3.47Å; P337-V352 PolarHBondContact O-N 2.95Å; P337-V352 VanDerWaalsContact O-N 3.16Å; L339-V352 HydrophobicContact CD2-CG1 4.07Å; L339-V352 HydrophobicContact CG-CG1 4.02Å; L350-V352 PolarHBondContact O-N 2.86Å; V352-V354 VanDerWaalsContact C-N 3.28Å; V352-V354 PolarHBondContact O-N 3.11Å; V352-C355 PolarHBondContact O-N 3.46Å
353	E	96.4	Very high	91.4	Very high	28 Å²	28	60 Å²	60	13%	0.131	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-63.3	-31.1	176.1	-179.2	171.8	-174.6	0	0	113.3	L241 R332 F333 P351	L241-E353 HydrophobicContact CD1-CB 4.36Å; L241-E353 HydrophobicContact CD1-CG 4.44Å; R332-E353 VanDerWaalsContact CB-OE1 3.29Å; R332-E353 WeakPolarHBondContact CB-OE1 3.48Å; R332-E353 WeakPolarHBondContact CG-OE1 3.27Å; R332-E353 IonicContact CZ-OE1 3.67Å; R332-E353 PolarHBondContact N-OE1 2.9Å; R332-E353 PolarHBondContact N-OE2 2.99Å; R332-E353 IonicContact NE-OE1 3.86Å; R332-E353 PolarHBondContact NE-OE1 3.12Å; R332-E353 IonicContact NH2-OE1 2.73Å; R332-E353 PolarHBondContact NH2-OE1 3.12Å; F333-E353 HydrophobicContact CD2-CB 4.34Å; F333-E353 HydrophobicContact CD2-CG 4.12Å; F333-E353 PolarHBondContact N-OE2 2.82Å; F333-E353 VanDerWaalsContact N-OE2 3.07Å; P351-E353 PolarHBondContact O-N 3.44Å; P351-E353 VanDerWaalsContact O-N 3.08Å
354	V	96.6	Very high	90.8	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.012	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-103.1	19.6	-175.8	-58.8	0	0	0	0	112.8	V287 T288 H289 F324 L329 L331 P351 V352	V287-V354 CarbonylContact C-O 3.56Å; V287-V354 VanDerWaalsContact CA-O 3.26Å; V287-V354 WeakPolarHBondContact CA-O 3.48Å; T288-V354 PolarHBondContact N-O 2.62Å; T288-V354 VanDerWaalsContact OG1-CA 3.29Å; T288-V354 WeakPolarHBondContact OG1-CA 3.41Å; T288-V354 PolarHBondContact OG1-O 3.27Å; H289-V354 HydrophobicContact CB-CB 4.17Å; H289-V354 HydrophobicContact CB-CG1 4.1Å; F324-V354 HydrophobicContact CE1-CB 4.42Å; F324-V354 HydrophobicContact CE1-CG1 4.11Å; F324-V354 HydrophobicContact CE1-CG2 3.77Å; F324-V354 HydrophobicContact CZ-CG2 3.96Å; L329-V354 HydrophobicContact CD2-CG1 4.47Å; L331-V354 HydrophobicContact CD2-CG1 4.27Å; P351-V354 HydrophobicContact CB-CG2 4.16Å; P351-V354 HydrophobicContact CG-CG2 4.37Å; P351-V354 VanDerWaalsContact O-CG2 3.22Å; P351-V354 WeakPolarHBondContact O-CG2 3.21Å; P351-V354 PolarHBondContact O-N 2.96Å; V352-V354 VanDerWaalsContact C-N 3.28Å; V352-V354 PolarHBondContact O-N 3.11Å
355	C	97.3	Very high	90	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.7	-174.7	-63.3	0	0	0	0	112.2	V240 V285 T286 L339 L350 P351 V352	V240-C355 HydrophobicContact CB-CB 3.97Å; V240-C355 HydrophobicContact CG2-CB 3.49Å; V240-C355 VanDerWaalsContact CG2-CB 3.49Å; V240-C355 WeakPolarHBondContact CG2-O 3.24Å; V240-C355 PolarHBondContact N-O 3.09Å; V285-C355 HydrophobicContact CB-CB 4.4Å; T286-C355 WeakPolarHBondContact O-CA 3.42Å; L339-C355 HydrophobicContact CD1-CB 4.06Å; L350-C355 VanDerWaalsContact CB-SG 3.52Å; P351-C355 PolarHBondContact O-SG 3.46Å; V352-C355 PolarHBondContact O-N 3.46Å
356	N	97.1	Very high	89.6	Confident	55 Å²	55	47.2 Å²	47.2	29%	0.294	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.8	169	-67.1	-31.8	0	0	0	110.3	Q238 S239 V285 T286 T288 A358	Q238-N356 CarbonylContact O-C 3.57Å; Q238-N356 WeakPolarHBondContact O-CA 3.09Å; S239-N356 VanDerWaalsContact CA-OD1 3.3Å; S239-N356 WeakPolarHBondContact CA-OD1 3.46Å; V285-N356 CarbonylContact C-O 3.44Å; V285-N356 WeakPolarHBondContact CA-O 3.35Å; V285-N356 VanDerWaalsContact CB-O 3.26Å; V285-N356 WeakPolarHBondContact CB-O 3.46Å; T286-N356 PolarHBondContact N-O 2.86Å; T286-N356 PolarHBondContact O-N 3.37Å; T288-N356 WeakPolarHBondContact CG2-ND2 3.42Å; N356-A358 PolarHBondContact O-N 2.98Å
357	V	95.9	Very high	89.2	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	121.7	169.4	179.1	0	0	0	0	108.4	Q238 V240 Y243 I283	Q238-V357 PolarHBondContact O-N 2.79Å; V240-V357 HydrophobicContact CG2-CG2 4.23Å; Y243-V357 HydrophobicContact CD2-CG2 4.26Å; Y243-V357 HydrophobicContact CG-CG2 3.98Å; I283-V357 HydrophobicContact CG2-CG1 4.02Å
358	A	93.2	Very high	89.1	Confident	3 Å²	3	45.2 Å²	45.2	3%	0.025	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-68.3	151.1	-176.1	0	0	0	0	0	112.1	R284 T286 Q295 N356 Q361	R284-A358 HydrophobicContact CB-CB 4.21Å; R284-A358 WeakPolarHBondContact O-CB 3.28Å; R284-A358 PolarHBondContact O-N 3.31Å; T286-A358 HydrophobicContact CG2-CB 4.18Å; Q295-A358 HydrophobicContact CG-CB 3.99Å; N356-A358 PolarHBondContact O-N 2.98Å; A358-Q361 WeakPolarHBondContact O-CG 3.3Å; A358-Q361 PolarHBondContact O-NE2 3.32Å
359	E	91	Very high	88.8	Confident	116 Å²	116	43.7 Å²	43.7	54%	0.542	22%	0.216	S	C	.	.	S	Bend	trans	-70.2	166.3	-179.9	-59	-176.3	175.2	0	0	113.5	P237 Q361	P237-E359 HydrophobicContact CB-CG 3.85Å; P237-E359 HydrophobicContact CG-CB 4.3Å; P237-E359 HydrophobicContact CG-CG 3.77Å; E359-Q361 VanDerWaalsContact C-N 3.33Å; E359-Q361 WeakPolarHBondContact O-CG 3.42Å; E359-Q361 PolarHBondContact O-N 2.8Å
360	K	90.4	Very high	88.3	Confident	47 Å²	47	44.1 Å²	44.1	20%	0.204	24%	0.236	C	C	.	.	S	Bend	trans	56.5	42.4	171.4	-59.8	179.1	178.8	-165.3	0	113.4	K181 F184 W208	K181-K360 PolarHBondContact O-NZ 3.08Å; F184-K360 HydrophobicContact CD2-CB 3.85Å; F184-K360 HydrophobicContact CD2-CD 3.95Å; F184-K360 HydrophobicContact CD2-CG 4.17Å; F184-K360 HydrophobicContact CE2-CB 3.9Å; F184-K360 HydrophobicContact CG-CB 4.41Å; W208-K360 HydrophobicContact CH2-CG 4.06Å; W208-K360 HydrophobicContact CZ3-CG 4.48Å
361	Q	91.5	Very high	88	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.065	25%	0.25	C	C	.	.			trans	-110.8	108.6	177.5	-61.3	-168.1	83.9	0	0	110.9	F234 Y235 R284 A358 E359 Y363	F234-Q361 CarbonylContact C-O 3.57Å; F234-Q361 VanDerWaalsContact CA-O 3.3Å; F234-Q361 WeakPolarHBondContact CA-O 3.22Å; F234-Q361 VanDerWaalsContact CD1-C 3.49Å; F234-Q361 WeakPolarHBondContact CD1-O 3.45Å; Y235-Q361 HydrophobicContact CD2-CB 3.79Å; Y235-Q361 WeakPolarHBondContact CD2-O 3.47Å; Y235-Q361 PolarHBondContact N-O 3.02Å; R284-Q361 PolarHBondContact O-NE2 2.75Å; A358-Q361 WeakPolarHBondContact O-CG 3.3Å; A358-Q361 PolarHBondContact O-NE2 3.32Å; E359-Q361 VanDerWaalsContact C-N 3.33Å; E359-Q361 WeakPolarHBondContact O-CG 3.42Å; E359-Q361 PolarHBondContact O-N 2.8Å; Q361-Y363 PolarHBondContact O-N 2.76Å
362	R	90.5	Very high	87.7	Confident	128 Å²	128	47.3 Å²	47.3	48%	0.483	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-63.2	132.7	175.3	-170.2	-169.8	-177.2	170.8	0.1	110.5	I186 F234 G364	I186-R362 HydrophobicContact CD1-CB 4.1Å; I186-R362 HydrophobicContact CD1-CG 4.08Å; F234-R362 HydrophobicContact CD1-CB 4.43Å; F234-R362 HydrophobicContact CE1-CB 4.2Å; R362-G364 PolarHBondContact O-N 2.63Å
363	Y	90.2	Very high	87.4	Confident	25 Å²	25	50 Å²	50	10%	0.098	27%	0.265	C	S	.	.			trans	-78.8	72.1	170	-165.9	-88.6	0	0	0	109.6	V205 P233 Y235 Q361 K366 L368	V205-Y363 HydrophobicContact CB-CD2 4.41Å; V205-Y363 HydrophobicContact CG1-CD1 4.41Å; V205-Y363 HydrophobicContact CG1-CD2 4.1Å; V205-Y363 HydrophobicContact CG1-CG 3.92Å; V205-Y363 HydrophobicContact CG2-CD1 4.49Å; V205-Y363 HydrophobicContact CG2-CD2 3.39Å; V205-Y363 HydrophobicContact CG2-CE1 4.48Å; V205-Y363 HydrophobicContact CG2-CE2 3.37Å; V205-Y363 HydrophobicContact CG2-CG 3.99Å; P233-Y363 PolarHBondContact O-N 2.77Å; Y235-Y363 AromaticContact CD1-CD2 3.78Å; Y235-Y363 HydrophobicContact CD1-CD2 3.78Å; Y235-Y363 HydrophobicContact CD1-CE2 4.24Å; Y235-Y363 HydrophobicContact CD2-CD2 4.28Å; Y235-Y363 AromaticContact CE1-CD2 3.3Å; Y235-Y363 HydrophobicContact CE1-CD2 3.3Å; Y235-Y363 AromaticContact CE1-CE2 3.48Å; Y235-Y363 HydrophobicContact CE1-CE2 3.48Å; Y235-Y363 VanDerWaalsContact CE1-CE2 3.48Å; Y235-Y363 AromaticContact CE2-CD2 3.86Å; Y235-Y363 HydrophobicContact CE2-CD2 3.86Å; Y235-Y363 HydrophobicContact CG-CD2 4.26Å; Y235-Y363 AromaticContact CZ-CD2 3.35Å; Y235-Y363 AromaticContact CZ-CE2 3.73Å; Q361-Y363 PolarHBondContact O-N 2.76Å; Y363-K366 HydrophobicContact CE1-CB 3.98Å; Y363-L368 HydrophobicContact CD1-CD2 3.78Å; Y363-L368 HydrophobicContact CE1-CD2 3.88Å
364	G	70.6	Confident	87	Confident	35 Å²	35	51.6 Å²	51.6	36%	0.361	28%	0.278	S	S	.	.			trans	-110.8	-16.5	-172.4	0	0	0	0	0	115.6	R362	R362-G364 PolarHBondContact O-N 2.63Å
365	T	59.6	Low	86.8	Confident	91 Å²	91	53.3 Å²	53.3	56%	0.558	29%	0.286	S	S	*	.	S	Bend	trans	-84.3	-12.8	-174.2	47.2	0	0	0	0	113.4	A624	T365-A624 VanDerWaalsContact O-CB 3.22Å; T365-A624 WeakPolarHBondContact O-CB 3.26Å
366	K	68.9	Low	86.6	Confident	62 Å²	62	54.6 Å²	54.6	27%	0.27	29%	0.294	S	S	.	.	S	Bend	trans	-128.6	144.5	-177.6	-66.2	178.1	-176	167.8	0	110.7	Q278 A279 Y363	Q278-K366 PolarHBondContact O-NZ 3.45Å; A279-K366 PolarHBondContact O-NZ 2.95Å; Y363-K366 HydrophobicContact CE1-CB 3.98Å
367	K	76.4	Confident	86.2	Confident	169 Å²	169	57.2 Å²	57.2	74%	0.735	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-68.1	131.6	172.1	-168.1	178.1	-179.2	-179.9	0	108.5
368	L	86.1	Confident	85.8	Confident	37 Å²	37	65.3 Å²	65.3	19%	0.194	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-58	145.3	171.1	-67.7	176.5	0	0	0	110	P233 Y363 Q372 V376	P233-L368 HydrophobicContact CB-CD2 4.23Å; P233-L368 HydrophobicContact CG-CD1 4.38Å; P233-L368 HydrophobicContact CG-CD2 4.3Å; Y363-L368 HydrophobicContact CD1-CD2 3.78Å; Y363-L368 HydrophobicContact CE1-CD2 3.88Å; L368-Q372 HydrophobicContact CB-CB 3.94Å; L368-Q372 HydrophobicContact CD2-CB 4.16Å; L368-Q372 HydrophobicContact CG-CB 4.49Å; L368-V376 HydrophobicContact CD1-CG2 3.99Å
369	S	86.4	Confident	85.7	Confident	38 Å²	38	69.8 Å²	69.8	27%	0.266	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-63.9	163.3	172.1	77.2	0	0	0	0	111.1	F371 Q372 T373	S369-F371 PolarHBondContact O-N 2.88Å; S369-Q372 PolarHBondContact O-N 2.81Å; S369-Q372 WeakPolarHBondContact OG-CG 3.4Å; S369-Q372 PolarHBondContact OG-N 2.85Å; S369-Q372 VanDerWaalsContact OG-N 3.12Å; S369-T373 WeakPolarHBondContact O-CB 3.28Å; S369-T373 PolarHBondContact O-N 3.43Å; S369-T373 PolarHBondContact O-OG1 3.11Å
370	G	85.4	Confident	85.6	Confident	59 Å²	59	65.8 Å²	65.8	61%	0.608	34%	0.342	S	S	*	.	H	α-helix	trans	-59.1	-38	175.4	0	0	0	0	0	112.4	T374	G370-T374 PolarHBondContact O-N 3.43Å; G370-T374 PolarHBondContact O-OG1 3.09Å
371	F	88.4	Confident	85.6	Confident	73 Å²	73	65.4 Å²	65.4	32%	0.32	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-52.3	173.3	176.1	-93.6	0	0	0	111.7	K202 F203 D251 S369 T373 T374 L375	K202-F371 HydrophobicContact CB-CE1 4.31Å; K202-F371 HydrophobicContact CG-CE1 3.7Å; K202-F371 HydrophobicContact CG-CZ 4.36Å; F203-F371 HydrophobicContact CE2-CD1 4.37Å; D251-F371 HydrophobicContact CB-CB 4.27Å; D251-F371 HydrophobicContact CB-CD1 3.7Å; D251-F371 HydrophobicContact CB-CD2 3.94Å; D251-F371 HydrophobicContact CB-CE1 3.96Å; D251-F371 HydrophobicContact CB-CE2 4.19Å; D251-F371 HydrophobicContact CB-CG 3.69Å; D251-F371 HydrophobicContact CB-CZ 4.2Å; S369-F371 PolarHBondContact O-N 2.88Å; F371-T373 VanDerWaalsContact C-N 3.33Å; F371-T373 PolarHBondContact O-N 3.41Å; F371-T374 WeakPolarHBondContact O-CB 3.39Å; F371-T374 PolarHBondContact O-N 3.5Å; F371-T374 VanDerWaalsContact O-N 3.11Å; F371-L375 HydrophobicContact CD1-CD1 3.99Å; F371-L375 HydrophobicContact CD1-CG 4.4Å; F371-L375 HydrophobicContact CE1-CD1 3.26Å; F371-L375 HydrophobicContact CE1-CG 3.94Å; F371-L375 HydrophobicContact CZ-CD1 3.69Å; F371-L375 HydrophobicContact CZ-CD2 4.37Å; F371-L375 HydrophobicContact CZ-CG 4.09Å; F371-L375 PolarHBondContact O-N 2.85Å
372	Q	92.2	Very high	85.7	Confident	3 Å²	3	66.1 Å²	66.1	1%	0.014	35%	0.351	C	S	.	.	H	α-helix	trans	-59	-44.3	178.1	-75.8	-178.9	-44.1	0	0	112.2	L201 K202 F203 L368 S369 T374 L375 V376	L201-Q372 WeakPolarHBondContact O-CG 3.47Å; L201-Q372 PolarHBondContact O-NE2 2.8Å; L201-Q372 VanDerWaalsContact O-NE2 3.15Å; K202-Q372 PolarHBondContact O-NE2 3Å; F203-Q372 HydrophobicContact CD2-CG 3.95Å; F203-Q372 HydrophobicContact CE2-CG 4.14Å; L368-Q372 HydrophobicContact CB-CB 3.94Å; L368-Q372 HydrophobicContact CD2-CB 4.16Å; L368-Q372 HydrophobicContact CG-CB 4.49Å; S369-Q372 PolarHBondContact O-N 2.81Å; S369-Q372 WeakPolarHBondContact OG-CG 3.4Å; S369-Q372 PolarHBondContact OG-N 2.85Å; S369-Q372 VanDerWaalsContact OG-N 3.12Å; Q372-T374 VanDerWaalsContact C-N 3.25Å; Q372-T374 PolarHBondContact O-N 2.8Å; Q372-L375 WeakPolarHBondContact O-CB 3.46Å; Q372-L375 PolarHBondContact O-N 2.89Å; Q372-L375 VanDerWaalsContact O-N 3.17Å; Q372-V376 WeakPolarHBondContact O-CG2 3.48Å; Q372-V376 PolarHBondContact O-N 3.38Å
373	T	90.4	Very high	86	Confident	58 Å²	58	61.8 Å²	61.8	36%	0.356	34%	0.338	S	S	.	.	H	α-helix	trans	-58.3	-41.5	177.1	-57	0	0	0	0	110.8	S369 F371 V376 L377	S369-T373 WeakPolarHBondContact O-CB 3.28Å; S369-T373 PolarHBondContact O-N 3.43Å; S369-T373 PolarHBondContact O-OG1 3.11Å; F371-T373 VanDerWaalsContact C-N 3.33Å; F371-T373 PolarHBondContact O-N 3.41Å; T373-V376 PolarHBondContact O-N 2.97Å; T373-L377 HydrophobicContact CG2-CD1 4.17Å; T373-L377 WeakPolarHBondContact O-CB 3.26Å; T373-L377 VanDerWaalsContact O-CG 3.26Å; T373-L377 WeakPolarHBondContact O-CG 3.33Å; T373-L377 PolarHBondContact O-N 2.85Å
374	T	90	Very high	86.4	Confident	63 Å²	63	60.6 Å²	60.6	39%	0.387	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-42.3	176.9	-56.7	0	0	0	0	111.9	G370 F371 Q372 L377 R378	G370-T374 PolarHBondContact O-N 3.43Å; G370-T374 PolarHBondContact O-OG1 3.09Å; F371-T374 WeakPolarHBondContact O-CB 3.39Å; F371-T374 PolarHBondContact O-N 3.5Å; F371-T374 VanDerWaalsContact O-N 3.11Å; Q372-T374 VanDerWaalsContact C-N 3.25Å; Q372-T374 PolarHBondContact O-N 2.8Å; T374-L377 PolarHBondContact O-N 2.77Å; T374-R378 WeakPolarHBondContact O-CG 3.5Å; T374-R378 PolarHBondContact O-N 3.47Å
375	L	91.9	Very high	87.6	Confident	37 Å²	37	59.5 Å²	59.5	19%	0.194	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-47.6	174.3	-72.1	-177.4	0	0	0	111.6	L201 F371 Q372 L377 R378 Q379	L201-L375 HydrophobicContact CD2-CB 3.9Å; F371-L375 HydrophobicContact CD1-CD1 3.99Å; F371-L375 HydrophobicContact CD1-CG 4.4Å; F371-L375 HydrophobicContact CE1-CD1 3.26Å; F371-L375 HydrophobicContact CE1-CG 3.94Å; F371-L375 HydrophobicContact CZ-CD1 3.69Å; F371-L375 HydrophobicContact CZ-CD2 4.37Å; F371-L375 HydrophobicContact CZ-CG 4.09Å; F371-L375 PolarHBondContact O-N 2.85Å; Q372-L375 WeakPolarHBondContact O-CB 3.46Å; Q372-L375 PolarHBondContact O-N 2.89Å; Q372-L375 VanDerWaalsContact O-N 3.17Å; L375-L377 VanDerWaalsContact C-N 3.34Å; L375-L377 PolarHBondContact O-N 3.47Å; L375-R378 PolarHBondContact O-N 2.84Å; L375-Q379 WeakPolarHBondContact O-CB 3.3Å; L375-Q379 VanDerWaalsContact O-CG 3.26Å; L375-Q379 WeakPolarHBondContact O-CG 3.41Å; L375-Q379 PolarHBondContact O-N 2.94Å
376	V	92.5	Very high	89.4	Confident	27 Å²	27	57.4 Å²	57.4	16%	0.164	31%	0.307	C	S	.	.	H	α-helix	trans	-58	-47.4	176.6	173.1	0	0	0	0	110.6	L201 L207 L368 Q372 T373 R378 Q379 C380	L201-V376 HydrophobicContact CD1-CG2 3.57Å; L201-V376 HydrophobicContact CD2-CG2 3.73Å; L201-V376 HydrophobicContact CG-CG2 4.32Å; L207-V376 HydrophobicContact CD1-CG1 4.27Å; L207-V376 HydrophobicContact CD1-CG2 4.08Å; L207-V376 HydrophobicContact CD2-CG1 4.41Å; L207-V376 HydrophobicContact CD2-CG2 4.46Å; L368-V376 HydrophobicContact CD1-CG2 3.99Å; Q372-V376 WeakPolarHBondContact O-CG2 3.48Å; Q372-V376 PolarHBondContact O-N 3.38Å; T373-V376 PolarHBondContact O-N 2.97Å; V376-R378 VanDerWaalsContact C-N 3.34Å; V376-R378 PolarHBondContact O-N 2.88Å; V376-Q379 PolarHBondContact O-N 2.82Å; V376-C380 VanDerWaalsContact O-CB 3.3Å; V376-C380 WeakPolarHBondContact O-CB 3.43Å; V376-C380 PolarHBondContact O-N 2.81Å; V376-C380 PolarHBondContact O-SG 2.84Å
377	L	88.4	Confident	90.7	Very high	111 Å²	111	55.5 Å²	55.5	58%	0.581	30%	0.298	S	S	*	.	H	α-helix	trans	-59.3	-43.2	179.1	-75.1	170.3	0	0	0	112.2	T373 T374 L375 A381	T373-L377 HydrophobicContact CG2-CD1 4.17Å; T373-L377 WeakPolarHBondContact O-CB 3.26Å; T373-L377 VanDerWaalsContact O-CG 3.26Å; T373-L377 WeakPolarHBondContact O-CG 3.33Å; T373-L377 PolarHBondContact O-N 2.85Å; T374-L377 PolarHBondContact O-N 2.77Å; L375-L377 VanDerWaalsContact C-N 3.34Å; L375-L377 PolarHBondContact O-N 3.47Å; L377-A381 VanDerWaalsContact O-CB 3.28Å; L377-A381 WeakPolarHBondContact O-CB 3.44Å; L377-A381 PolarHBondContact O-N 2.92Å; L377-A381 VanDerWaalsContact O-N 3.13Å
378	R	88.5	Confident	91.7	Very high	175 Å²	175	47.6 Å²	47.6	66%	0.66	26%	0.264	S	S	*	.	H	α-helix	trans	-63.4	-43.5	176.5	-73.5	178.4	-175.8	172.4	1.5	111.9	T374 L375 V376	T374-R378 WeakPolarHBondContact O-CG 3.5Å; T374-R378 PolarHBondContact O-N 3.47Å; L375-R378 PolarHBondContact O-N 2.84Å; V376-R378 VanDerWaalsContact C-N 3.34Å; V376-R378 PolarHBondContact O-N 2.88Å
379	Q	89.5	Confident	92.2	Very high	98 Å²	98	53 Å²	53	46%	0.458	28%	0.282	S	S	.	.	H	α-helix	trans	-73.4	-30.7	-177.6	-67.3	-67.6	-3.2	0	0	113.2	V199 L207 L375 V376	V199-Q379 HydrophobicContact CG1-CG 3.86Å; L207-Q379 HydrophobicContact CD2-CB 4.01Å; L375-Q379 WeakPolarHBondContact O-CB 3.3Å; L375-Q379 VanDerWaalsContact O-CG 3.26Å; L375-Q379 WeakPolarHBondContact O-CG 3.41Å; L375-Q379 PolarHBondContact O-N 2.94Å; V376-Q379 PolarHBondContact O-N 2.82Å
380	C	90.6	Very high	92.6	Very high	32 Å²	32	52.2 Å²	52.2	22%	0.216	28%	0.275	C	S	.	.	H	α-helix	trans	-86.4	-14.5	179.7	-62.3	0	0	0	0	113.4	H231 V376 M382	H231-C380 PolarHBondContact ND1-SG 3.33Å; H231-C380 VanDerWaalsContact ND1-SG 3.43Å; V376-C380 VanDerWaalsContact O-CB 3.3Å; V376-C380 WeakPolarHBondContact O-CB 3.43Å; V376-C380 PolarHBondContact O-N 2.81Å; V376-C380 PolarHBondContact O-SG 2.84Å; C380-M382 PolarHBondContact O-N 3.12Å; C380-M382 VanDerWaalsContact O-N 3.14Å
381	A	90.1	Very high	93.1	Very high	38 Å²	38	49.4 Å²	49.4	31%	0.314	25%	0.246	S	C	.	.			trans	-72.7	107	-176	0	0	0	0	0	110.5	L377 Q777	L377-A381 VanDerWaalsContact O-CB 3.28Å; L377-A381 WeakPolarHBondContact O-CB 3.44Å; L377-A381 PolarHBondContact O-N 2.92Å; L377-A381 VanDerWaalsContact O-N 3.13Å; A381-Q777 HydrophobicContact CB-CG 4.07Å
382	M	93.7	Very high	93.4	Very high	29 Å²	29	47.3 Å²	47.3	14%	0.143	24%	0.237	C	C	.	.			trans	-124.7	137	175.4	-62.3	169.6	-179.8	0	0	108.7	C380 R387 G778 T779	C380-M382 PolarHBondContact O-N 3.12Å; C380-M382 VanDerWaalsContact O-N 3.14Å; M382-R387 HydrophobicContact CB-CB 4.17Å; M382-G778 CarbonylContact O-C 3.6Å; M382-G778 WeakPolarHBondContact O-CA 3.42Å; M382-T779 PolarHBondContact O-N 2.93Å; M382-T779 PolarHBondContact O-OG1 3.37Å
383	D	96.6	Very high	93.6	Very high	37 Å²	37	50.8 Å²	50.8	20%	0.198	26%	0.256	C	S	.	.			trans	-61.5	160.1	168.9	66.3	88.1	0	0	0	111	P385 T386 R387 G747 R748	D383-P385 VanDerWaalsContact OD1-CD 3.3Å; D383-P385 WeakPolarHBondContact OD1-CD 3.44Å; D383-T386 PolarHBondContact O-N 3.23Å; D383-T386 WeakPolarHBondContact OD1-CB 3.43Å; D383-T386 PolarHBondContact OD1-N 2.9Å; D383-T386 PolarHBondContact OD1-OG1 3.46Å; D383-T386 WeakPolarHBondContact OD2-CB 3.42Å; D383-T386 PolarHBondContact OD2-OG1 2.83Å; D383-R387 WeakPolarHBondContact O-CB 3.27Å; D383-R387 PolarHBondContact O-N 2.81Å; D383-G747 CarbonylContact C-O 3.54Å; D383-G747 WeakPolarHBondContact CA-O 3.44Å; D383-G747 WeakPolarHBondContact CB-O 3.48Å; D383-R748 IonicContact OD1-CZ 3.57Å; D383-R748 VanDerWaalsContact OD1-CZ 3.29Å; D383-R748 IonicContact OD1-NE 3.56Å; D383-R748 PolarHBondContact OD1-NE 3.13Å; D383-R748 VanDerWaalsContact OD1-NE 3.15Å; D383-R748 IonicContact OD1-NH2 2.92Å; D383-R748 PolarHBondContact OD1-NH2 3.49Å; D383-R748 IonicContact OD2-NH2 3.54Å
384	A	97.2	Very high	93.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-48.6	-168.7	0	0	0	0	0	113.6	T386 R387 L388 M736 G747 T779	A384-T386 PolarHBondContact O-N 3.17Å; A384-R387 PolarHBondContact O-N 3.03Å; A384-L388 PolarHBondContact O-N 3.32Å; A384-L388 VanDerWaalsContact O-N 3.16Å; A384-M736 HydrophobicContact CB-CB 4.05Å; A384-G747 PolarHBondContact N-O 3.13Å; A384-T779 WeakPolarHBondContact CA-OG1 3.25Å; A384-T779 HydrophobicContact CB-CG2 3.7Å
385	P	97.2	Very high	93.8	Very high	12 Å²	12	46.4 Å²	46.4	8%	0.078	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-43.6	176.1	-24.3	34.4	0	0	0	113.4	D383 R387 L388 R389 M736 R748	D383-P385 VanDerWaalsContact OD1-CD 3.3Å; D383-P385 WeakPolarHBondContact OD1-CD 3.44Å; P385-R387 VanDerWaalsContact C-N 3.29Å; P385-R387 PolarHBondContact O-N 3.47Å; P385-L388 PolarHBondContact O-N 3.3Å; P385-R389 WeakPolarHBondContact O-CB 3.49Å; P385-R389 PolarHBondContact O-N 3.08Å; P385-M736 HydrophobicContact CB-SD 4.13Å; P385-M736 HydrophobicContact CG-SD 4.37Å; P385-R748 HydrophobicContact CG-CB 4.24Å
386	T	96.9	Very high	93.9	Very high	47 Å²	47	51.8 Å²	51.8	29%	0.288	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-38.6	178.4	-58.7	0	0	0	0	111.4	D383 A384 R389 T390 R748	D383-T386 PolarHBondContact O-N 3.23Å; D383-T386 WeakPolarHBondContact OD1-CB 3.43Å; D383-T386 PolarHBondContact OD1-N 2.9Å; D383-T386 PolarHBondContact OD1-OG1 3.46Å; D383-T386 WeakPolarHBondContact OD2-CB 3.42Å; D383-T386 PolarHBondContact OD2-OG1 2.83Å; A384-T386 PolarHBondContact O-N 3.17Å; T386-R389 PolarHBondContact O-N 3.16Å; T386-T390 WeakPolarHBondContact O-CB 3.34Å; T386-T390 PolarHBondContact O-N 2.96Å; T386-T390 PolarHBondContact O-OG1 3.44Å; T386-R748 PolarHBondContact OG1-NH2 3.04Å
387	R	96.6	Very high	93.7	Very high	23 Å²	23	57 Å²	57	9%	0.087	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-47.4	176.7	-176.8	177.2	-173.4	79.8	-3	112.4	D228 V229 M382 D383 A384 P385 T390 C391 T779	D228-R387 IonicContact OD1-CZ 2.77Å; D228-R387 IonicContact OD1-NE 3.73Å; D228-R387 PolarHBondContact OD1-NE 3.36Å; D228-R387 IonicContact OD1-NH2 2.7Å; D228-R387 PolarHBondContact OD1-NH2 2.91Å; D228-R387 IonicContact OD2-CZ 3.55Å; D228-R387 IonicContact OD2-NE 3.74Å; D228-R387 IonicContact OD2-NH2 3.99Å; D228-R387 PolarHBondContact OD2-NH2 2.92Å; V229-R387 HydrophobicContact CG2-CG 4.45Å; V229-R387 PolarHBondContact O-NH2 3.35Å; M382-R387 HydrophobicContact CB-CB 4.17Å; D383-R387 WeakPolarHBondContact O-CB 3.27Å; D383-R387 PolarHBondContact O-N 2.81Å; A384-R387 PolarHBondContact O-N 3.03Å; P385-R387 VanDerWaalsContact C-N 3.29Å; P385-R387 PolarHBondContact O-N 3.47Å; R387-T390 PolarHBondContact O-N 3.12Å; R387-C391 PolarHBondContact O-N 3.5Å; R387-C391 VanDerWaalsContact O-N 3.09Å; R387-C391 PolarHBondContact O-SG 3.3Å; R387-T779 WeakPolarHBondContact CB-OG1 3.46Å; R387-T779 WeakPolarHBondContact CD-OG1 3.49Å
388	L	97.1	Very high	93.8	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-42.5	178.7	-92.7	65.9	0	0	0	110.9	V34 N36 A384 P385 T390 C391 M392 F417 R734 M736	V34-L388 HydrophobicContact CG1-CD2 4.22Å; N36-L388 HydrophobicContact CB-CD1 4.18Å; N36-L388 HydrophobicContact CB-CG 4.14Å; A384-L388 PolarHBondContact O-N 3.32Å; A384-L388 VanDerWaalsContact O-N 3.16Å; P385-L388 PolarHBondContact O-N 3.3Å; L388-T390 VanDerWaalsContact C-N 3.33Å; L388-T390 PolarHBondContact O-N 2.85Å; L388-C391 VanDerWaalsContact O-CB 3.31Å; L388-C391 WeakPolarHBondContact O-CB 3.49Å; L388-C391 PolarHBondContact O-N 3.25Å; L388-C391 VanDerWaalsContact O-N 3.09Å; L388-M392 PolarHBondContact O-N 3.01Å; L388-M392 VanDerWaalsContact O-N 3.15Å; L388-F417 HydrophobicContact CB-CD2 4.26Å; L388-F417 HydrophobicContact CB-CE2 3.8Å; L388-F417 HydrophobicContact CD2-CD2 4.08Å; L388-F417 HydrophobicContact CD2-CE2 4.37Å; L388-F417 HydrophobicContact CG-CD2 4.23Å; L388-F417 HydrophobicContact CG-CE2 4.01Å; L388-F417 VanDerWaalsContact O-CE2 3.31Å; L388-F417 WeakPolarHBondContact O-CE2 3.38Å; L388-R734 HydrophobicContact CD1-CB 4.25Å; L388-M736 HydrophobicContact CB-SD 4.28Å; L388-M736 HydrophobicContact CD2-CB 4.45Å; L388-M736 HydrophobicContact CD2-CE 4.06Å; L388-M736 HydrophobicContact CD2-CG 3.79Å; L388-M736 HydrophobicContact CD2-SD 3.78Å
389	R	96.4	Very high	93.8	Very high	152 Å²	152	46.3 Å²	46.3	57%	0.574	22%	0.219	S	C	*	.	H	α-helix	trans	-56.9	-46.8	173.6	-169.6	-174.2	-56.5	179.4	0.6	111.8	P385 T386 C391 M392 D393	P385-R389 WeakPolarHBondContact O-CB 3.49Å; P385-R389 PolarHBondContact O-N 3.08Å; T386-R389 PolarHBondContact O-N 3.16Å; R389-C391 PolarHBondContact O-N 2.79Å; R389-M392 WeakPolarHBondContact O-CB 3.36Å; R389-M392 PolarHBondContact O-N 3.44Å; R389-D393 VanDerWaalsContact O-CG 3.29Å; R389-D393 PolarHBondContact O-N 2.87Å
390	T	96	Very high	93.8	Very high	20 Å²	20	41.8 Å²	41.8	12%	0.123	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-37	176.6	-55.6	0	0	0	0	111.6	V229 T386 R387 L388 D393 M394	V229-T390 HydrophobicContact CG2-CG2 3.66Å; T386-T390 WeakPolarHBondContact O-CB 3.34Å; T386-T390 PolarHBondContact O-N 2.96Å; T386-T390 PolarHBondContact O-OG1 3.44Å; R387-T390 PolarHBondContact O-N 3.12Å; L388-T390 VanDerWaalsContact C-N 3.33Å; L388-T390 PolarHBondContact O-N 2.85Å; T390-D393 PolarHBondContact O-N 2.87Å; T390-M394 HydrophobicContact CG2-CG 4.3Å; T390-M394 HydrophobicContact CG2-SD 4.14Å; T390-M394 WeakPolarHBondContact O-CB 3.16Å; T390-M394 WeakPolarHBondContact O-CG 3.26Å; T390-M394 PolarHBondContact O-N 2.93Å
391	C	95.9	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-47.6	174.2	-64.7	0	0	0	0	111.4	I227 V229 R387 L388 R389 M394 M395 F417	I227-C391 HydrophobicContact CG2-CB 4.14Å; V229-C391 VanDerWaalsContact CG2-SG 3.55Å; V229-C391 PolarHBondContact N-SG 3.39Å; V229-C391 VanDerWaalsContact N-SG 3.43Å; R387-C391 PolarHBondContact O-N 3.5Å; R387-C391 VanDerWaalsContact O-N 3.09Å; R387-C391 PolarHBondContact O-SG 3.3Å; L388-C391 VanDerWaalsContact O-CB 3.31Å; L388-C391 WeakPolarHBondContact O-CB 3.49Å; L388-C391 PolarHBondContact O-N 3.25Å; L388-C391 VanDerWaalsContact O-N 3.09Å; R389-C391 PolarHBondContact O-N 2.79Å; C391-M394 PolarHBondContact O-N 3.01Å; C391-M395 WeakPolarHBondContact O-CG 3.31Å; C391-M395 PolarHBondContact O-N 2.85Å; C391-F417 HydrophobicContact CB-CZ 3.84Å
392	M	94.3	Very high	93.5	Very high	29 Å²	29	45 Å²	45	14%	0.143	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-43.9	177.1	-71.6	-59.5	-151.4	0	0	112.2	V38 L388 R389 M394 M395 R396 R415 F417	V38-M392 HydrophobicContact CG1-CE 4.43Å; L388-M392 PolarHBondContact O-N 3.01Å; L388-M392 VanDerWaalsContact O-N 3.15Å; R389-M392 WeakPolarHBondContact O-CB 3.36Å; R389-M392 PolarHBondContact O-N 3.44Å; M392-M394 VanDerWaalsContact C-N 3.29Å; M392-M394 PolarHBondContact O-N 3.19Å; M392-M395 WeakPolarHBondContact O-CB 3.35Å; M392-M395 PolarHBondContact O-N 2.8Å; M392-M395 VanDerWaalsContact O-N 3.17Å; M392-M395 HydrophobicContact SD-SD 3.99Å; M392-R396 WeakPolarHBondContact O-CG 3.35Å; M392-R396 PolarHBondContact O-N 2.89Å; M392-R415 WeakPolarHBondContact CE-O 3.45Å; M392-F417 HydrophobicContact CE-CD1 4.14Å; M392-F417 HydrophobicContact CE-CD2 3.76Å; M392-F417 HydrophobicContact CE-CE1 4.2Å; M392-F417 HydrophobicContact CE-CE2 3.82Å; M392-F417 HydrophobicContact CE-CG 3.9Å; M392-F417 HydrophobicContact CE-CZ 4.02Å; M392-F417 HydrophobicContact CG-CD2 4.24Å; M392-F417 HydrophobicContact CG-CE2 3.46Å; M392-F417 VanDerWaalsContact CG-CE2 3.46Å; M392-F417 HydrophobicContact CG-CZ 3.69Å; M392-F417 HydrophobicContact SD-CE1 4.21Å; M392-F417 HydrophobicContact SD-CE2 3.96Å; M392-F417 HydrophobicContact SD-CZ 3.78Å
393	D	94.8	Very high	93.4	Very high	76 Å²	76	43.7 Å²	43.7	41%	0.406	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-40.9	178.5	-63.3	-25.9	0	0	0	110.9	R389 T390 R396 W397	R389-D393 VanDerWaalsContact O-CG 3.29Å; R389-D393 PolarHBondContact O-N 2.87Å; T390-D393 PolarHBondContact O-N 2.87Å; D393-R396 PolarHBondContact O-N 2.87Å; D393-W397 VanDerWaalsContact O-CB 3.31Å; D393-W397 WeakPolarHBondContact O-CB 3.38Å; D393-W397 PolarHBondContact O-N 2.78Å
394	M	93.7	Very high	93.3	Very high	20 Å²	20	45.8 Å²	45.8	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-67.8	-35.2	175.4	-71.1	-174.8	79.1	0	0	113	R209 L211 V229 T390 C391 M392 A398	R209-M394 HydrophobicContact CG-CE 3.97Å; R209-M394 HydrophobicContact CG-SD 4.01Å; L211-M394 HydrophobicContact CB-CE 4.11Å; L211-M394 HydrophobicContact CD1-CB 3.93Å; L211-M394 HydrophobicContact CD1-SD 4.4Å; L211-M394 HydrophobicContact CD2-CB 4.32Å; V229-M394 HydrophobicContact CG1-SD 4.28Å; V229-M394 HydrophobicContact CG2-SD 4.34Å; T390-M394 HydrophobicContact CG2-CG 4.3Å; T390-M394 HydrophobicContact CG2-SD 4.14Å; T390-M394 WeakPolarHBondContact O-CB 3.16Å; T390-M394 WeakPolarHBondContact O-CG 3.26Å; T390-M394 PolarHBondContact O-N 2.93Å; C391-M394 PolarHBondContact O-N 3.01Å; M392-M394 VanDerWaalsContact C-N 3.29Å; M392-M394 PolarHBondContact O-N 3.19Å; M394-A398 VanDerWaalsContact O-CB 3.32Å; M394-A398 WeakPolarHBondContact O-CB 3.45Å; M394-A398 PolarHBondContact O-N 2.84Å
395	M	92.8	Very high	93.2	Very high	9 Å²	9	45.8 Å²	45.8	4%	0.044	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-44.3	173.5	-71.3	176.4	72.7	0	0	111.7	V38 L211 I227 C391 M392 A398 N399 L400 F413	V38-M395 HydrophobicContact CG2-CE 4.36Å; L211-M395 HydrophobicContact CD2-CG 3.87Å; I227-M395 HydrophobicContact CD1-CE 3.39Å; I227-M395 HydrophobicContact CD1-CG 4.04Å; I227-M395 HydrophobicContact CD1-SD 3.25Å; I227-M395 WeakPolarHBondContact CD1-SD 3.24Å; I227-M395 HydrophobicContact CG1-SD 4.49Å; I227-M395 HydrophobicContact CG2-CG 4.17Å; I227-M395 HydrophobicContact CG2-SD 4.18Å; C391-M395 WeakPolarHBondContact O-CG 3.31Å; C391-M395 PolarHBondContact O-N 2.85Å; M392-M395 WeakPolarHBondContact O-CB 3.35Å; M392-M395 PolarHBondContact O-N 2.8Å; M392-M395 VanDerWaalsContact O-N 3.17Å; M392-M395 HydrophobicContact SD-SD 3.99Å; M395-A398 PolarHBondContact O-N 2.79Å; M395-N399 PolarHBondContact O-N 3.29Å; M395-N399 VanDerWaalsContact O-N 3.16Å; M395-L400 HydrophobicContact CB-CD1 4.06Å; M395-L400 HydrophobicContact CE-CD1 4.49Å; M395-L400 HydrophobicContact CG-CD1 3.95Å; M395-L400 PolarHBondContact O-N 3.49Å; M395-F413 HydrophobicContact CE-CD1 4.33Å; M395-F413 HydrophobicContact CE-CD2 4.46Å; M395-F413 HydrophobicContact CE-CE1 4.47Å; M395-F413 HydrophobicContact CE-CG 4.27Å
396	R	92.3	Very high	93.1	Very high	150 Å²	150	45.4 Å²	45.4	57%	0.566	21%	0.206	S	C	*	.	H	α-helix	trans	-63.3	-45.5	176.1	-70.7	172.4	179.3	170.8	-2.4	111.1	M392 D393 A398 N399	M392-R396 WeakPolarHBondContact O-CG 3.35Å; M392-R396 PolarHBondContact O-N 2.89Å; D393-R396 PolarHBondContact O-N 2.87Å; R396-A398 VanDerWaalsContact C-N 3.32Å; R396-A398 PolarHBondContact O-N 3.35Å; R396-N399 WeakPolarHBondContact O-CA 3.27Å; R396-N399 PolarHBondContact O-N 2.88Å
397	W	89.7	Confident	93	Very high	136 Å²	136	48.7 Å²	48.7	52%	0.515	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-40.1	176.2	-179.5	-115.1	0	0	0	112.8	E192 D393 N399	E192-W397 PolarHBondContact OE1-NE1 2.92Å; D393-W397 VanDerWaalsContact O-CB 3.31Å; D393-W397 WeakPolarHBondContact O-CB 3.38Å; D393-W397 PolarHBondContact O-N 2.78Å; W397-N399 PolarHBondContact O-N 3.45Å
398	A	89.4	Confident	92.9	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.2	173.1	0	0	0	0	0	113.5	F183 M394 M395 R396 L400	F183-A398 HydrophobicContact CE1-CB 4.5Å; F183-A398 HydrophobicContact CZ-CB 3.96Å; M394-A398 VanDerWaalsContact O-CB 3.32Å; M394-A398 WeakPolarHBondContact O-CB 3.45Å; M394-A398 PolarHBondContact O-N 2.84Å; M395-A398 PolarHBondContact O-N 2.79Å; R396-A398 VanDerWaalsContact C-N 3.32Å; R396-A398 PolarHBondContact O-N 3.35Å; A398-L400 HydrophobicContact CB-CD1 4.43Å; A398-L400 HydrophobicContact CB-CG 3.97Å; A398-L400 PolarHBondContact O-N 3.49Å
399	N	89.9	Confident	92.7	Very high	60 Å²	60	50.7 Å²	50.7	32%	0.321	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	43.7	-178	-168.8	25.9	0	0	0	112.4	R179 M395 R396 W397 E401 N402 D403	R179-N399 PolarHBondContact NH1-ND2 3.09Å; R179-N399 VanDerWaalsContact NH1-ND2 3.11Å; R179-N399 PolarHBondContact NH1-O 2.9Å; R179-N399 PolarHBondContact NH2-O 3.07Å; R179-N399 VanDerWaalsContact NH2-O 3.1Å; M395-N399 PolarHBondContact O-N 3.29Å; M395-N399 VanDerWaalsContact O-N 3.16Å; R396-N399 WeakPolarHBondContact O-CA 3.27Å; R396-N399 PolarHBondContact O-N 2.88Å; W397-N399 PolarHBondContact O-N 3.45Å; N399-E401 PolarHBondContact O-N 3.01Å; N399-N402 CarbonylContact O-C 3.56Å; N399-N402 PolarHBondContact O-N 2.91Å; N399-N402 WeakPolarHBondContact OD1-CB 3.14Å; N399-N402 PolarHBondContact OD1-ND2 3.03Å; N399-D403 PolarHBondContact O-N 2.73Å
400	L	88.7	Confident	92.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-67.5	-25.5	179	-69.6	173.6	0	0	0	112.5	L211 M213 M395 A398 N402 D403 F413	L211-L400 HydrophobicContact CD2-CD1 4.1Å; M213-L400 HydrophobicContact CE-CD1 3.78Å; M213-L400 HydrophobicContact CE-CD2 4.01Å; M213-L400 HydrophobicContact SD-CD1 3.38Å; M213-L400 WeakPolarHBondContact SD-CD1 3.35Å; M395-L400 HydrophobicContact CB-CD1 4.06Å; M395-L400 HydrophobicContact CE-CD1 4.49Å; M395-L400 HydrophobicContact CG-CD1 3.95Å; M395-L400 PolarHBondContact O-N 3.49Å; A398-L400 HydrophobicContact CB-CD1 4.43Å; A398-L400 HydrophobicContact CB-CG 3.97Å; A398-L400 PolarHBondContact O-N 3.49Å; L400-N402 PolarHBondContact O-N 2.86Å; L400-D403 WeakPolarHBondContact O-CB 3.44Å; L400-D403 PolarHBondContact O-N 2.82Å; L400-F413 HydrophobicContact CB-CD2 4.48Å; L400-F413 HydrophobicContact CB-CE2 4.21Å
401	E	84.4	Confident	92.4	Very high	60 Å²	60	43.3 Å²	43.3	28%	0.28	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-64.6	-24.4	175.1	-61.7	-172	-162.4	0	0	112.8	N399 R415	N399-E401 PolarHBondContact O-N 3.01Å; E401-R415 VanDerWaalsContact CD-CD 3.48Å; E401-R415 VanDerWaalsContact CD-NE 3.3Å; E401-R415 IonicContact OE1-NE 2.69Å; E401-R415 IonicContact OE2-CZ 3.62Å; E401-R415 IonicContact OE2-NE 2.83Å; E401-R415 PolarHBondContact OE2-NE 3.48Å; E401-R415 IonicContact OE2-NH2 3.87Å
402	N	89.4	Confident	92.2	Very high	78 Å²	78	44.3 Å²	44.3	42%	0.417	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-117.4	32.6	175.8	-60.7	-65.3	0	0	0	111.4	N399 L400 E404 K407	N399-N402 CarbonylContact O-C 3.56Å; N399-N402 PolarHBondContact O-N 2.91Å; N399-N402 WeakPolarHBondContact OD1-CB 3.14Å; N399-N402 PolarHBondContact OD1-ND2 3.03Å; L400-N402 PolarHBondContact O-N 2.86Å; N402-E404 PolarHBondContact O-N 2.79Å; N402-K407 PolarHBondContact OD1-NZ 2.8Å
403	D	92.3	Very high	92	Very high	2 Å²	2	43 Å²	43	1%	0.011	20%	0.202	C	C	.	.			trans	-68.5	119.5	175.6	-161.8	-77.1	0	0	0	111	G171 R179 N399 L400 F405 L406 K407	G171-D403 WeakPolarHBondContact CA-OD2 3.23Å; R179-D403 IonicContact NH2-OD2 2.77Å; R179-D403 PolarHBondContact NH2-OD2 3.43Å; N399-D403 PolarHBondContact O-N 2.73Å; L400-D403 WeakPolarHBondContact O-CB 3.44Å; L400-D403 PolarHBondContact O-N 2.82Å; D403-F405 VanDerWaalsContact C-N 3.3Å; D403-F405 PolarHBondContact O-N 2.88Å; D403-F405 WeakPolarHBondContact OD1-CB 3.4Å; D403-F405 PolarHBondContact OD1-N 3.08Å; D403-L406 HydrophobicContact CB-CB 4.14Å; D403-L406 HydrophobicContact CB-CD1 3.9Å; D403-L406 HydrophobicContact CB-CG 4.07Å; D403-L406 PolarHBondContact O-N 2.95Å; D403-L406 PolarHBondContact OD1-N 2.91Å; D403-K407 WeakPolarHBondContact O-CG 3.13Å; D403-K407 PolarHBondContact O-N 3.47Å; D403-K407 VanDerWaalsContact O-N 3.15Å
404	E	94.4	Very high	91.8	Very high	80 Å²	80	39.8 Å²	39.8	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-63.2	-37.6	-178.2	-65.3	167.3	112.3	0	0	111.3	F88 N402 K407 D408	F88-E404 HydrophobicContact CB-CB 4.12Å; F88-E404 HydrophobicContact CD1-CB 3.86Å; F88-E404 HydrophobicContact CD2-CB 4.22Å; F88-E404 HydrophobicContact CE1-CB 4.34Å; F88-E404 HydrophobicContact CG-CB 3.8Å; N402-E404 PolarHBondContact O-N 2.79Å; E404-K407 PolarHBondContact O-N 2.91Å; E404-D408 WeakPolarHBondContact O-CB 3.43Å; E404-D408 PolarHBondContact O-N 3.24Å
405	F	95.6	Very high	91.6	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-67.4	-44.6	178.4	-63.7	-90.2	0	0	0	111.1	W74 F88 M90 I167 Q170 C174 V177 D403 K407 D408 F409	W74-F405 AromaticContact CH2-CE1 3.76Å; W74-F405 HydrophobicContact CH2-CE1 3.76Å; W74-F405 HydrophobicContact CH2-CZ 4.09Å; W74-F405 HydrophobicContact CZ2-CE1 4.26Å; W74-F405 HydrophobicContact CZ2-CZ 4.38Å; F88-F405 HydrophobicContact CB-CD1 4.42Å; F88-F405 HydrophobicContact CD1-CD1 4.44Å; F88-F405 HydrophobicContact CD1-CD2 4.15Å; F88-F405 AromaticContact CD1-CE1 3.98Å; F88-F405 HydrophobicContact CD1-CE1 3.98Å; F88-F405 AromaticContact CD1-CE2 3.67Å; F88-F405 HydrophobicContact CD1-CE2 3.67Å; F88-F405 AromaticContact CD1-CZ 3.57Å; F88-F405 HydrophobicContact CD1-CZ 3.57Å; F88-F405 HydrophobicContact CE1-CE2 4.11Å; F88-F405 HydrophobicContact CE1-CZ 4.11Å; F88-F405 WeakPolarHBondContact O-CA 3.45Å; F88-F405 WeakPolarHBondContact O-CD1 3.05Å; M90-F405 WeakPolarHBondContact O-CD1 3.18Å; M90-F405 WeakPolarHBondContact O-CE1 3.44Å; I167-F405 HydrophobicContact CG2-CB 4.27Å; Q170-F405 HydrophobicContact CB-CB 4.12Å; Q170-F405 HydrophobicContact CB-CD1 3.53Å; Q170-F405 HydrophobicContact CB-CD2 3.47Å; Q170-F405 VanDerWaalsContact CB-CD2 3.47Å; Q170-F405 HydrophobicContact CB-CE1 3.71Å; Q170-F405 HydrophobicContact CB-CE2 3.64Å; Q170-F405 HydrophobicContact CB-CG 3.42Å; Q170-F405 VanDerWaalsContact CB-CG 3.42Å; Q170-F405 HydrophobicContact CB-CZ 3.76Å; Q170-F405 HydrophobicContact CG-CD1 3.88Å; Q170-F405 HydrophobicContact CG-CE1 4.09Å; Q170-F405 HydrophobicContact CG-CG 4.19Å; C174-F405 HydrophobicContact CB-CE2 3.88Å; C174-F405 HydrophobicContact CB-CZ 3.58Å; V177-F405 HydrophobicContact CG2-CE2 3.73Å; V177-F405 HydrophobicContact CG2-CZ 4.49Å; D403-F405 VanDerWaalsContact C-N 3.3Å; D403-F405 PolarHBondContact O-N 2.88Å; D403-F405 WeakPolarHBondContact OD1-CB 3.4Å; D403-F405 PolarHBondContact OD1-N 3.08Å; F405-K407 VanDerWaalsContact C-N 3.31Å; F405-K407 PolarHBondContact O-N 2.92Å; F405-D408 PolarHBondContact O-N 3.16Å; F405-F409 VanDerWaalsContact O-CD2 3.22Å; F405-F409 WeakPolarHBondContact O-CD2 3.44Å; F405-F409 PolarHBondContact O-N 3.33Å
406	L	94.4	Very high	91.6	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-45.3	176.8	-70.8	173.7	0	0	0	111.3	I167 L168 D403 F409 G410 L411 F413	I167-L406 HydrophobicContact CG2-CD2 3.8Å; I167-L406 HydrophobicContact CG2-CG 4.48Å; L168-L406 HydrophobicContact CD2-CD1 4.34Å; L168-L406 HydrophobicContact CD2-CD2 3.95Å; D403-L406 HydrophobicContact CB-CB 4.14Å; D403-L406 HydrophobicContact CB-CD1 3.9Å; D403-L406 HydrophobicContact CB-CG 4.07Å; D403-L406 PolarHBondContact O-N 2.95Å; D403-L406 PolarHBondContact OD1-N 2.91Å; L406-F409 PolarHBondContact O-N 3.45Å; L406-G410 PolarHBondContact O-N 3.27Å; L406-G410 VanDerWaalsContact O-N 3.12Å; L406-L411 CarbonylContact C-O 3.58Å; L406-L411 VanDerWaalsContact C-O 3.24Å; L406-L411 HydrophobicContact CB-CB 4.37Å; L406-L411 HydrophobicContact CD2-CB 3.91Å; L406-L411 HydrophobicContact CD2-CD1 4.17Å; L406-L411 WeakPolarHBondContact O-CA 3.19Å; L406-L411 PolarHBondContact O-N 3.42Å; L406-F413 HydrophobicContact CD1-CD2 3.67Å; L406-F413 HydrophobicContact CD1-CE2 3.33Å; L406-F413 HydrophobicContact CD1-CZ 4.31Å
407	K	94.1	Very high	91.9	Very high	116 Å²	116	41.6 Å²	41.6	50%	0.504	20%	0.202	S	C	.	.	H	α-helix	trans	-59.3	-49.5	178.5	-71.7	176.3	-178.1	177.9	0	112.1	N402 D403 E404 F405 F409 G410	N402-K407 PolarHBondContact OD1-NZ 2.8Å; D403-K407 WeakPolarHBondContact O-CG 3.13Å; D403-K407 PolarHBondContact O-N 3.47Å; D403-K407 VanDerWaalsContact O-N 3.15Å; E404-K407 PolarHBondContact O-N 2.91Å; F405-K407 VanDerWaalsContact C-N 3.31Å; F405-K407 PolarHBondContact O-N 2.92Å; K407-F409 VanDerWaalsContact C-N 3.33Å; K407-F409 PolarHBondContact O-N 3.28Å; K407-G410 WeakPolarHBondContact O-CA 3.49Å; K407-G410 PolarHBondContact O-N 3.09Å
408	D	94.6	Very high	92.2	Very high	66 Å²	66	36.9 Å²	36.9	35%	0.353	19%	0.187	S	C	.	.	H	α-helix	trans	-65.4	-33.8	-178.5	-91.2	30.8	0	0	0	113.2	F88 S89 E404 F405 G410	F88-D408 HydrophobicContact CB-CB 4.34Å; F88-D408 WeakPolarHBondContact CB-OD2 3.46Å; F88-D408 WeakPolarHBondContact O-CB 3.26Å; S89-D408 PolarHBondContact N-OD2 3.47Å; S89-D408 WeakPolarHBondContact OG-CB 3.29Å; S89-D408 PolarHBondContact OG-OD2 3.28Å; E404-D408 WeakPolarHBondContact O-CB 3.43Å; E404-D408 PolarHBondContact O-N 3.24Å; F405-D408 PolarHBondContact O-N 3.16Å; D408-G410 PolarHBondContact O-N 3.09Å
409	F	94.4	Very high	92.6	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.3	171.9	-79	-97	0	0	0	113.2	V50 S89 A91 R101 I167 F405 L406 K407 L411	V50-F409 HydrophobicContact CG1-CD1 3.89Å; V50-F409 HydrophobicContact CG1-CE1 3.7Å; S89-F409 VanDerWaalsContact O-CE2 3.31Å; S89-F409 WeakPolarHBondContact O-CE2 3.44Å; S89-F409 WeakPolarHBondContact O-CZ 3.28Å; A91-F409 HydrophobicContact CB-CE2 4.35Å; A91-F409 HydrophobicContact CB-CZ 4.03Å; R101-F409 HydrophobicContact CB-CD1 4.1Å; R101-F409 HydrophobicContact CB-CE1 4.19Å; I167-F409 HydrophobicContact CD1-CB 4.08Å; I167-F409 HydrophobicContact CD1-CD1 3.37Å; I167-F409 HydrophobicContact CD1-CD2 4.3Å; I167-F409 HydrophobicContact CD1-CE1 3.77Å; I167-F409 HydrophobicContact CD1-CG 3.66Å; I167-F409 HydrophobicContact CD1-CZ 4.35Å; I167-F409 HydrophobicContact CG1-CD1 3.97Å; I167-F409 HydrophobicContact CG1-CD2 4.15Å; I167-F409 HydrophobicContact CG1-CE1 4Å; I167-F409 HydrophobicContact CG1-CE2 4.15Å; I167-F409 HydrophobicContact CG1-CG 4.03Å; I167-F409 HydrophobicContact CG1-CZ 4.08Å; I167-F409 HydrophobicContact CG2-CB 4.35Å; I167-F409 HydrophobicContact CG2-CD2 4.1Å; I167-F409 HydrophobicContact CG2-CG 4.25Å; F405-F409 VanDerWaalsContact O-CD2 3.22Å; F405-F409 WeakPolarHBondContact O-CD2 3.44Å; F405-F409 PolarHBondContact O-N 3.33Å; L406-F409 PolarHBondContact O-N 3.45Å; K407-F409 VanDerWaalsContact C-N 3.33Å; K407-F409 PolarHBondContact O-N 3.28Å; F409-L411 HydrophobicContact CB-CD1 4.38Å; F409-L411 HydrophobicContact CB-CG 4.48Å
410	G	93.1	Very high	93	Very high	13 Å²	13	38.3 Å²	38.3	13%	0.134	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	32	178.4	0	0	0	0	0	114.1	K43 A44 L406 K407 D408	K43-G410 PolarHBondContact N-O 2.96Å; A44-G410 PolarHBondContact N-O 2.95Å; A44-G410 VanDerWaalsContact N-O 3.13Å; L406-G410 PolarHBondContact O-N 3.27Å; L406-G410 VanDerWaalsContact O-N 3.12Å; K407-G410 WeakPolarHBondContact O-CA 3.49Å; K407-G410 PolarHBondContact O-N 3.09Å; D408-G410 PolarHBondContact O-N 3.09Å
411	L	93.1	Very high	93.4	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	152.2	-179.9	-59.2	174.4	0	0	0	111	L40 K41 I48 I167 L406 F409	L40-L411 HydrophobicContact CD1-CB 4.32Å; L40-L411 HydrophobicContact CD2-CD1 4.48Å; L40-L411 HydrophobicContact CD2-CD2 4.32Å; L40-L411 HydrophobicContact CG-CD2 4.39Å; K41-L411 CarbonylContact O-C 3.52Å; K41-L411 WeakPolarHBondContact O-CA 3.31Å; I48-L411 HydrophobicContact CD1-CD2 3.79Å; I48-L411 HydrophobicContact CD1-CG 4.46Å; I167-L411 HydrophobicContact CD1-CD1 4.21Å; I167-L411 HydrophobicContact CG2-CD1 4.5Å; L406-L411 CarbonylContact C-O 3.58Å; L406-L411 VanDerWaalsContact C-O 3.24Å; L406-L411 HydrophobicContact CB-CB 4.37Å; L406-L411 HydrophobicContact CD2-CB 3.91Å; L406-L411 HydrophobicContact CD2-CD1 4.17Å; L406-L411 WeakPolarHBondContact O-CA 3.19Å; L406-L411 PolarHBondContact O-N 3.42Å; F409-L411 HydrophobicContact CB-CD1 4.38Å; F409-L411 HydrophobicContact CB-CG 4.48Å
412	D	91.5	Very high	94.1	Very high	22 Å²	22	37.8 Å²	37.8	12%	0.118	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	165.5	173.1	-167.9	2.3	0	0	0	109.4	L40 K41 K43 R415	L40-D412 CarbonylContact C-O 3.56Å; K41-D412 HydrophobicContact CB-CB 4.37Å; K41-D412 PolarHBondContact N-O 3.26Å; K41-D412 PolarHBondContact O-N 3.05Å; K43-D412 HydrophobicContact CD-CB 4.13Å; K43-D412 WeakPolarHBondContact CE-OD2 3.49Å; K43-D412 HydrophobicContact CG-CB 4.21Å; K43-D412 IonicContact NZ-OD2 3.59Å; K43-D412 PolarHBondContact NZ-OD2 3.39Å; D412-R415 IonicContact OD1-CZ 2.62Å; D412-R415 IonicContact OD1-NH1 3.79Å; D412-R415 PolarHBondContact OD1-NH1 2.94Å; D412-R415 IonicContact OD1-NH2 2.73Å; D412-R415 PolarHBondContact OD1-NH2 3.25Å; D412-R415 IonicContact OD2-NH1 3.32Å; D412-R415 IonicContact OD2-NH2 3.47Å
413	F	89.3	Confident	94.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	150.8	176.1	-77.9	-73.7	0	0	0	112.8	V38 L40 L168 M213 V225 I227 M395 L400 L406 R415	V38-F413 HydrophobicContact CB-CD1 4.39Å; V38-F413 HydrophobicContact CG2-CD1 3.43Å; V38-F413 VanDerWaalsContact CG2-CD1 3.43Å; V38-F413 HydrophobicContact CG2-CE1 3.64Å; L40-F413 HydrophobicContact CD1-CE1 4.5Å; L168-F413 HydrophobicContact CD2-CE1 4.15Å; L168-F413 HydrophobicContact CD2-CE2 3.92Å; L168-F413 HydrophobicContact CD2-CZ 3.33Å; M213-F413 HydrophobicContact CE-CZ 4.35Å; V225-F413 HydrophobicContact CB-CE1 3.74Å; V225-F413 HydrophobicContact CG1-CE1 4.13Å; V225-F413 HydrophobicContact CG1-CZ 4.5Å; V225-F413 HydrophobicContact CG2-CD1 4.41Å; V225-F413 HydrophobicContact CG2-CE1 3.53Å; V225-F413 HydrophobicContact CG2-CZ 4.24Å; I227-F413 HydrophobicContact CD1-CE1 4.27Å; M395-F413 HydrophobicContact CE-CD1 4.33Å; M395-F413 HydrophobicContact CE-CD2 4.46Å; M395-F413 HydrophobicContact CE-CE1 4.47Å; M395-F413 HydrophobicContact CE-CG 4.27Å; L400-F413 HydrophobicContact CB-CD2 4.48Å; L400-F413 HydrophobicContact CB-CE2 4.21Å; L406-F413 HydrophobicContact CD1-CD2 3.67Å; L406-F413 HydrophobicContact CD1-CE2 3.33Å; L406-F413 HydrophobicContact CD1-CZ 4.31Å; F413-R415 PolarHBondContact O-NH1 2.88Å
414	A	91.2	Very high	94.8	Very high	8 Å²	8	35.7 Å²	35.7	7%	0.066	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	148.2	153.5	0	0	0	0	0	110.6	E39 T416	E39-A414 HydrophobicContact CB-CB 3.92Å; E39-A414 PolarHBondContact O-N 3.25Å; A414-T416 VanDerWaalsContact C-N 3.33Å
415	R	89.1	Confident	95	Very high	98 Å²	98	32.3 Å²	32.3	37%	0.37	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-2.7	-179.7	-59.3	-59.2	-172.2	-95.9	3.1	113.1	M392 E401 D412 F413	M392-R415 WeakPolarHBondContact CE-O 3.45Å; E401-R415 VanDerWaalsContact CD-CD 3.48Å; E401-R415 VanDerWaalsContact CD-NE 3.3Å; E401-R415 IonicContact OE1-NE 2.69Å; E401-R415 IonicContact OE2-CZ 3.62Å; E401-R415 IonicContact OE2-NE 2.83Å; E401-R415 PolarHBondContact OE2-NE 3.48Å; E401-R415 IonicContact OE2-NH2 3.87Å; D412-R415 IonicContact OD1-CZ 2.62Å; D412-R415 IonicContact OD1-NH1 3.79Å; D412-R415 PolarHBondContact OD1-NH1 2.94Å; D412-R415 IonicContact OD1-NH2 2.73Å; D412-R415 PolarHBondContact OD1-NH2 3.25Å; D412-R415 IonicContact OD2-NH1 3.32Å; D412-R415 IonicContact OD2-NH2 3.47Å; F413-R415 PolarHBondContact O-NH1 2.88Å
416	T	93.7	Very high	95.1	Very high	99 Å²	99	38.3 Å²	38.3	61%	0.607	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.7	179.3	55.4	0	0	0	0	109.6	A414	A414-T416 VanDerWaalsContact C-N 3.33Å
417	F	96.8	Very high	95.3	Very high	20 Å²	20	40 Å²	40	9%	0.088	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	153.2	171.1	-74.1	-51.7	0	0	0	111.7	V34 S35 N36 F37 V38 L388 C391 M392 E419	V34-F417 HydrophobicContact CG1-CB 3.51Å; V34-F417 HydrophobicContact CG1-CD2 4.48Å; V34-F417 HydrophobicContact CG1-CG 4.41Å; S35-F417 WeakPolarHBondContact O-CB 3.36Å; S35-F417 VanDerWaalsContact O-CG 3.26Å; S35-F417 WeakPolarHBondContact O-CG 3.42Å; N36-F417 HydrophobicContact CB-CE1 4.44Å; F37-F417 CarbonylContact O-C 3.48Å; F37-F417 VanDerWaalsContact O-CA 3.29Å; F37-F417 WeakPolarHBondContact O-CA 3.11Å; F37-F417 WeakPolarHBondContact O-CD1 3.49Å; V38-F417 HydrophobicContact CG1-CD1 3.58Å; V38-F417 HydrophobicContact CG1-CE1 3.8Å; L388-F417 HydrophobicContact CB-CD2 4.26Å; L388-F417 HydrophobicContact CB-CE2 3.8Å; L388-F417 HydrophobicContact CD2-CD2 4.08Å; L388-F417 HydrophobicContact CD2-CE2 4.37Å; L388-F417 HydrophobicContact CG-CD2 4.23Å; L388-F417 HydrophobicContact CG-CE2 4.01Å; L388-F417 VanDerWaalsContact O-CE2 3.31Å; L388-F417 WeakPolarHBondContact O-CE2 3.38Å; C391-F417 HydrophobicContact CB-CZ 3.84Å; M392-F417 HydrophobicContact CE-CD1 4.14Å; M392-F417 HydrophobicContact CE-CD2 3.76Å; M392-F417 HydrophobicContact CE-CE1 4.2Å; M392-F417 HydrophobicContact CE-CE2 3.82Å; M392-F417 HydrophobicContact CE-CG 3.9Å; M392-F417 HydrophobicContact CE-CZ 4.02Å; M392-F417 HydrophobicContact CG-CD2 4.24Å; M392-F417 HydrophobicContact CG-CE2 3.46Å; M392-F417 VanDerWaalsContact CG-CE2 3.46Å; M392-F417 HydrophobicContact CG-CZ 3.69Å; M392-F417 HydrophobicContact SD-CE1 4.21Å; M392-F417 HydrophobicContact SD-CE2 3.96Å; M392-F417 HydrophobicContact SD-CZ 3.78Å; F417-E419 PolarHBondContact O-N 2.72Å
418	I	97.5	Very high	95.4	Very high	37 Å²	37	34.5 Å²	34.5	19%	0.19	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	120	176.8	-62.3	175.3	0	0	0	108.7	S35 F37 E39 M224 V420 R759 I760	S35-I418 PolarHBondContact N-O 2.86Å; S35-I418 PolarHBondContact OG-O 3.2Å; F37-I418 HydrophobicContact CB-CB 4.44Å; F37-I418 HydrophobicContact CB-CD1 3.91Å; F37-I418 HydrophobicContact CB-CG1 4.37Å; F37-I418 WeakPolarHBondContact O-CG1 3.44Å; F37-I418 PolarHBondContact O-N 3.25Å; E39-I418 HydrophobicContact CB-CD1 4.44Å; M224-I418 HydrophobicContact CB-CD1 3.97Å; M224-I418 HydrophobicContact SD-CD1 4.25Å; I418-V420 HydrophobicContact CG2-CG1 3.88Å; I418-R759 HydrophobicContact CG2-CB 4.49Å; I418-I760 HydrophobicContact CG2-CG2 4.19Å
419	E	97.9	Very high	95.5	Very high	92 Å²	92	35.5 Å²	35.5	43%	0.43	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134.1	166	-56.6	-170	168	0	0	109.9	L33 V34 F417 K738	L33-E419 CarbonylContact O-C 3.53Å; L33-E419 WeakPolarHBondContact O-CA 3.22Å; V34-E419 HydrophobicContact CG2-CG 4.41Å; F417-E419 PolarHBondContact O-N 2.72Å; E419-K738 WeakPolarHBondContact OE1-CE 3.22Å; E419-K738 IonicContact OE1-NZ 3.94Å; E419-K738 PolarHBondContact OE1-NZ 3.29Å; E419-K738 IonicContact OE2-NZ 3Å; E419-K738 PolarHBondContact OE2-NZ 3.24Å
420	V	97.7	Very high	95.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.1	-176.5	-58.3	0	0	0	0	110.1	L33 I418 F735 V756 R759 I760	L33-V420 HydrophobicContact CB-CG2 3.73Å; L33-V420 WeakPolarHBondContact CB-O 3.45Å; L33-V420 HydrophobicContact CD1-CG2 4.4Å; L33-V420 PolarHBondContact N-O 2.85Å; L33-V420 PolarHBondContact O-N 3.45Å; I418-V420 HydrophobicContact CG2-CG1 3.88Å; V420-F735 HydrophobicContact CG2-CD1 4Å; V420-F735 HydrophobicContact CG2-CE1 4.06Å; V420-V756 HydrophobicContact CB-CG1 4.16Å; V420-V756 HydrophobicContact CG2-CG1 4.04Å; V420-V756 HydrophobicContact CG2-CG2 4.21Å; V420-R759 HydrophobicContact CG1-CB 3.89Å; V420-R759 HydrophobicContact CG1-CG 4.39Å; V420-I760 HydrophobicContact CG1-CG1 4.26Å; V420-I760 HydrophobicContact CG1-CG2 3.72Å
421	P	98.1	Very high	95.7	Very high	48 Å²	48	35.8 Å²	35.8	31%	0.312	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	132.9	169.8	31	-31.9	0	0	0	108.5	H758	P421-H758 HydrophobicContact CG-CB 3.91Å
422	G	98.5	Very high	95.9	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	169.4	171.4	0	0	0	0	0	111.5	R30 I31 V755	R30-G422 WeakPolarHBondContact CA-O 3.39Å; I31-G422 PolarHBondContact N-O 3Å; I31-G422 WeakPolarHBondContact O-CA 3.26Å; I31-G422 PolarHBondContact O-N 2.83Å; I31-G422 VanDerWaalsContact O-O 3.11Å; G422-V755 CarbonylContact C-O 3.51Å; G422-V755 WeakPolarHBondContact CA-O 3.44Å
423	R	98.6	Very high	96	Very high	15 Å²	15	39 Å²	39	6%	0.057	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.4	172.4	-67.7	172.2	-65.9	112.2	-1.1	109.2	G25 E27 R29 T754 V755 D757 D797	G25-R423 VanDerWaalsContact CA-NH2 3.29Å; G25-R423 PolarHBondContact O-NE 2.97Å; G25-R423 PolarHBondContact O-NH2 2.97Å; E27-R423 WeakPolarHBondContact O-CD 3.4Å; E27-R423 PolarHBondContact O-NH1 2.89Å; R29-R423 CarbonylContact O-C 3.58Å; R29-R423 WeakPolarHBondContact O-CA 3.39Å; R423-T754 CarbonylContact O-C 3.24Å; R423-T754 VanDerWaalsContact O-CA 3.26Å; R423-T754 WeakPolarHBondContact O-CA 3.22Å; R423-V755 PolarHBondContact N-O 3.38Å; R423-V755 PolarHBondContact O-N 3.38Å; R423-D757 IonicContact CZ-OD2 2.67Å; R423-D757 VanDerWaalsContact NH2-CG 3.3Å; R423-D757 IonicContact NH2-OD1 3.29Å; R423-D757 PolarHBondContact NH2-OD1 3.18Å; R423-D757 IonicContact NH2-OD2 3.85Å; R423-D757 PolarHBondContact NH2-OD2 2.77Å; R423-D797 IonicContact NH1-OD1 3.45Å; R423-D797 PolarHBondContact NH1-OD1 3.29Å
424	I	98.4	Very high	96.1	Very high	21 Å²	21	45.4 Å²	45.4	11%	0.108	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	105.7	173.5	-58.4	163.4	0	0	0	106.5	G28 R29 I31 P751	G28-I424 CarbonylContact C-O 3.52Å; G28-I424 VanDerWaalsContact CA-O 3.26Å; G28-I424 WeakPolarHBondContact CA-O 3.2Å; R29-I424 PolarHBondContact N-O 2.85Å; R29-I424 PolarHBondContact O-N 2.65Å; I31-I424 HydrophobicContact CB-CD1 4.07Å; I31-I424 HydrophobicContact CB-CG1 4.27Å; I31-I424 HydrophobicContact CD1-CD1 3.9Å; I31-I424 HydrophobicContact CG2-CD1 4.19Å; I31-I424 HydrophobicContact CG2-CG1 3.85Å; I424-P751 HydrophobicContact CD1-CB 4.12Å; I424-P751 HydrophobicContact CD1-CG 3.83Å; I424-P751 HydrophobicContact CG1-CB 4.47Å; I424-P751 HydrophobicContact CG2-CB 4.5Å
425	L	98.3	Very high	95.8	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.052	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-64.4	145.6	176.9	-60.8	-176.1	0	0	0	110.7	G753 V755 Q800 Y804	L425-G753 PolarHBondContact N-O 3.36Å; L425-V755 HydrophobicContact CD1-CG2 3.7Å; L425-V755 HydrophobicContact CG-CG2 3.93Å; L425-Q800 HydrophobicContact CD1-CB 4.09Å; L425-Y804 HydrophobicContact CB-CD1 3.72Å; L425-Y804 HydrophobicContact CB-CE1 4.01Å; L425-Y804 HydrophobicContact CD1-CD1 4.18Å; L425-Y804 HydrophobicContact CD1-CG 4.45Å
426	H	97.1	Very high	95.6	Very high	126 Å²	126	46.8 Å²	46.8	58%	0.583	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-67.1	131.5	170	-67	-75.4	0	0	0	109.7
427	P	97.4	Very high	95.4	Very high	40 Å²	40	46 Å²	46	26%	0.26	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-67	153.1	173.5	28.2	-32	0	0	0	110.3	P443 Y804	P427-P443 HydrophobicContact CB-CB 3.92Å; P427-P443 HydrophobicContact CB-CG 4.25Å; P427-P443 HydrophobicContact CG-CB 4.33Å; P427-P443 WeakPolarHBondContact CG-O 3.4Å; P427-Y804 HydrophobicContact CB-CE1 4.23Å
428	P	97.1	Very high	95.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-65	149.4	172.9	29.6	-34.9	0	0	0	110.6	L430 P443 L596 Y805 H808	P428-L430 HydrophobicContact CG-CD2 4.3Å; P428-P443 WeakPolarHBondContact O-CD 3.25Å; P428-P443 WeakPolarHBondContact O-CG 3.44Å; P428-L596 HydrophobicContact CB-CD2 3.62Å; P428-L596 HydrophobicContact CG-CD2 3.75Å; P428-Y805 HydrophobicContact CB-CD1 3.88Å; P428-Y805 HydrophobicContact CB-CD2 3.69Å; P428-Y805 HydrophobicContact CB-CE1 3.98Å; P428-Y805 HydrophobicContact CB-CE2 3.78Å; P428-Y805 HydrophobicContact CB-CG 3.72Å; P428-Y805 HydrophobicContact CG-CD1 4.01Å; P428-Y805 HydrophobicContact CG-CD2 4.48Å; P428-Y805 HydrophobicContact CG-CE1 4.41Å; P428-Y805 HydrophobicContact CG-CG 4.03Å; P428-H808 VanDerWaalsContact CD-CE1 3.4Å; P428-H808 WeakPolarHBondContact CD-CE1 3.38Å; P428-H808 WeakPolarHBondContact CD-ND1 3.4Å; P428-H808 HydrophobicContact CG-CB 3.84Å
429	K	96.9	Very high	95	Very high	87 Å²	87	47 Å²	47	38%	0.378	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-74.8	140.7	163.4	-56.7	-167.2	-173.2	-151.6	0	109.2	I440 E442 L597	K429-I440 HydrophobicContact CB-CG2 3.9Å; K429-I440 HydrophobicContact CD-CG2 4.13Å; K429-I440 HydrophobicContact CG-CG2 4.48Å; K429-E442 HydrophobicContact CD-CG 4.37Å; K429-E442 WeakPolarHBondContact CD-OE1 3.36Å; K429-E442 WeakPolarHBondContact CE-OE1 3.32Å; K429-E442 HydrophobicContact CG-CG 4.2Å; K429-E442 IonicContact NZ-OE1 2.6Å; K429-E442 PolarHBondContact NZ-OE1 2.87Å; K429-L597 HydrophobicContact CB-CB 3.81Å; K429-L597 HydrophobicContact CB-CD2 3.75Å; K429-L597 HydrophobicContact CB-CG 4.41Å; K429-L597 HydrophobicContact CD-CD2 3.88Å; K429-L597 HydrophobicContact CG-CD2 4.34Å; K429-L597 WeakPolarHBondContact O-CB 3.5Å; K429-L597 PolarHBondContact O-N 2.8Å
430	L	96.5	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.8	-177.9	-59.8	-177.8	0	0	0	110.1	P428 Y432 I440 V441 P443 W448 L596 H808	P428-L430 HydrophobicContact CG-CD2 4.3Å; L430-Y432 HydrophobicContact CB-CD2 4.41Å; L430-Y432 HydrophobicContact CB-CE2 4.09Å; L430-I440 CarbonylContact O-C 3.52Å; L430-I440 WeakPolarHBondContact O-CA 3.34Å; L430-V441 HydrophobicContact CB-CB 4.49Å; L430-V441 WeakPolarHBondContact CB-O 3.3Å; L430-V441 PolarHBondContact N-O 2.74Å; L430-V441 PolarHBondContact O-N 3.43Å; L430-P443 HydrophobicContact CD1-CG 3.76Å; L430-P443 HydrophobicContact CG-CG 3.94Å; L430-W448 HydrophobicContact CD1-CD2 3.73Å; L430-W448 HydrophobicContact CD1-CE3 4.14Å; L430-W448 HydrophobicContact CD1-CG 4.23Å; L430-W448 HydrophobicContact CD1-CH2 4.01Å; L430-W448 HydrophobicContact CD1-CZ2 3.58Å; L430-W448 HydrophobicContact CD1-CZ3 4.25Å; L430-L596 HydrophobicContact CD2-CD2 4.03Å; L430-H808 HydrophobicContact CD2-CB 4.07Å
431	E	95.6	Very high	94.8	Very high	19 Å²	19	48 Å²	48	9%	0.089	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.5	177.3	-161.5	174.1	-175.4	0	0	110.5	S438 F456 T594 R595 L597	E431-S438 WeakPolarHBondContact CG-OG 3.47Å; E431-S438 WeakPolarHBondContact OE1-CB 3.3Å; E431-S438 PolarHBondContact OE1-OG 2.72Å; E431-F456 HydrophobicContact CG-CD2 4.3Å; E431-F456 HydrophobicContact CG-CE2 4.32Å; E431-T594 WeakPolarHBondContact O-CA 3.35Å; E431-T594 PolarHBondContact O-OG1 3.05Å; E431-R595 HydrophobicContact CB-CG 3.85Å; E431-R595 VanDerWaalsContact CD-NH2 3.34Å; E431-R595 PolarHBondContact N-O 2.97Å; E431-R595 PolarHBondContact O-N 2.71Å; E431-R595 IonicContact OE1-NH2 3.07Å; E431-R595 PolarHBondContact OE1-NH2 3.3Å; E431-R595 IonicContact OE2-CZ 2.9Å; E431-R595 IonicContact OE2-NE 3.74Å; E431-R595 PolarHBondContact OE2-NE 2.67Å; E431-R595 IonicContact OE2-NH2 3.49Å; E431-R595 PolarHBondContact OE2-NH2 3.05Å; E431-L597 HydrophobicContact CB-CD1 4.49Å
432	Y	95.7	Very high	94.6	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	178.4	175.8	-78.8	-87.3	0	0	0	109.1	L430 A439 V441 W448 M450 V453 Q454 N593 T594	L430-Y432 HydrophobicContact CB-CD2 4.41Å; L430-Y432 HydrophobicContact CB-CE2 4.09Å; Y432-A439 PolarHBondContact N-O 2.79Å; Y432-A439 PolarHBondContact O-N 2.8Å; Y432-V441 HydrophobicContact CD2-CB 3.93Å; Y432-V441 HydrophobicContact CD2-CG2 3.57Å; Y432-V441 HydrophobicContact CE2-CB 4.11Å; Y432-V441 HydrophobicContact CE2-CG2 4.08Å; Y432-V441 HydrophobicContact CG-CG2 4.37Å; Y432-W448 AromaticContact CE2-NE1 3.98Å; Y432-W448 AromaticContact CZ-NE1 3.83Å; Y432-W448 PolarHBondContact OH-NE1 3.36Å; Y432-M450 HydrophobicContact CD1-CG 4.41Å; Y432-M450 HydrophobicContact CD1-SD 4.25Å; Y432-M450 HydrophobicContact CE1-CE 3.56Å; Y432-M450 HydrophobicContact CE1-CG 3.79Å; Y432-M450 HydrophobicContact CE1-SD 3.57Å; Y432-M450 VanDerWaalsContact CE1-SD 3.57Å; Y432-M450 WeakPolarHBondContact OH-CE 3.23Å; Y432-V453 HydrophobicContact CD1-CG2 4.24Å; Y432-V453 HydrophobicContact CG-CB 4.4Å; Y432-V453 HydrophobicContact CG-CG2 4.12Å; Y432-Q454 WeakPolarHBondContact CD1-O 3.43Å; Y432-N593 VanDerWaalsContact CD1-O 3.32Å; Y432-N593 WeakPolarHBondContact CD1-O 3.39Å; Y432-N593 WeakPolarHBondContact CE1-O 3.37Å; Y432-T594 WeakPolarHBondContact CE2-OG1 3.24Å; Y432-T594 VanDerWaalsContact CZ-CB 3.43Å
433	K	94.5	Very high	94.5	Very high	89 Å²	89	51.7 Å²	51.7	39%	0.387	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	146	173.3	-175.7	173.3	175.8	178.1	0	110.3	G435 V453 Q454 F455	K433-G435 WeakPolarHBondContact CE-O 3.36Å; K433-G435 VanDerWaalsContact CG-O 3.29Å; K433-G435 WeakPolarHBondContact CG-O 3.29Å; K433-V453 CarbonylContact O-C 3.57Å; K433-V453 WeakPolarHBondContact O-CA 3.42Å; K433-Q454 HydrophobicContact CB-CB 4.24Å; K433-Q454 PolarHBondContact N-O 3.31Å; K433-Q454 PolarHBondContact O-N 3.01Å; K433-F455 WeakPolarHBondContact CB-O 3.27Å
434	R	91.5	Very high	94.2	Very high	137 Å²	137	55.2 Å²	55.2	52%	0.517	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	104.1	165.8	179.1	-178.8	-70.9	167.8	-0.5	108.4	G436 S437 A439 D452	R434-G436 PolarHBondContact O-N 3.37Å; R434-S437 PolarHBondContact N-O 2.89Å; R434-S437 PolarHBondContact O-N 3.05Å; R434-A439 HydrophobicContact CB-CB 3.7Å; R434-D452 PolarHBondContact NE-O 3.06Å
435	G	85.2	Confident	93.9	Very high	48 Å²	48	56.6 Å²	56.6	50%	0.495	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	-128.1	-172.7	0	0	0	0	0	110.6	K433 S437	K433-G435 WeakPolarHBondContact CE-O 3.36Å; K433-G435 VanDerWaalsContact CG-O 3.29Å; K433-G435 WeakPolarHBondContact CG-O 3.29Å; G435-S437 VanDerWaalsContact C-N 3.31Å; G435-S437 PolarHBondContact O-N 3.04Å
436	G	84	Confident	93.6	Very high	87 Å²	87	56.1 Å²	56.1	90%	0.897	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.6	176.5	0	0	0	0	0	115.4	R434	R434-G436 PolarHBondContact O-N 3.37Å
437	S	89.9	Confident	93.5	Very high	84 Å²	84	52.4 Å²	52.4	59%	0.587	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	163.8	-170.2	-63.2	0	0	0	0	113.1	R434 G435	R434-S437 PolarHBondContact N-O 2.89Å; R434-S437 PolarHBondContact O-N 3.05Å; G435-S437 VanDerWaalsContact C-N 3.31Å; G435-S437 PolarHBondContact O-N 3.04Å
438	S	91.3	Very high	93.4	Very high	68 Å²	68	51.3 Å²	51.3	48%	0.476	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	143.9	170.5	179	0	0	0	0	111	E431	E431-S438 WeakPolarHBondContact CG-OG 3.47Å; E431-S438 WeakPolarHBondContact OE1-CB 3.3Å; E431-S438 PolarHBondContact OE1-OG 2.72Å
439	A	94.6	Very high	92.9	Very high	8 Å²	8	56.1 Å²	56.1	7%	0.066	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.4	174.1	0	0	0	0	0	110.6	Y432 R434 V453	Y432-A439 PolarHBondContact N-O 2.79Å; Y432-A439 PolarHBondContact O-N 2.8Å; R434-A439 HydrophobicContact CB-CB 3.7Å; A439-V453 HydrophobicContact CB-CG1 3.73Å
440	I	95.3	Very high	92.3	Very high	94 Å²	94	53.2 Å²	53.2	48%	0.482	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.6	-178.6	-55.3	177.3	0	0	0	109	K429 L430 L597	K429-I440 HydrophobicContact CB-CG2 3.9Å; K429-I440 HydrophobicContact CD-CG2 4.13Å; K429-I440 HydrophobicContact CG-CG2 4.48Å; L430-I440 CarbonylContact O-C 3.52Å; L430-I440 WeakPolarHBondContact O-CA 3.34Å; I440-L597 HydrophobicContact CD1-CD1 3.93Å; I440-L597 HydrophobicContact CD1-CD2 4.16Å; I440-L597 HydrophobicContact CG1-CD1 4.08Å
441	V	95.3	Very high	91.6	Very high	20 Å²	20	61.5 Å²	61.5	12%	0.121	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.1	174.3	177.2	0	0	0	0	108.3	L430 Y432 W448 V453	L430-V441 HydrophobicContact CB-CB 4.49Å; L430-V441 WeakPolarHBondContact CB-O 3.3Å; L430-V441 PolarHBondContact N-O 2.74Å; L430-V441 PolarHBondContact O-N 3.43Å; Y432-V441 HydrophobicContact CD2-CB 3.93Å; Y432-V441 HydrophobicContact CD2-CG2 3.57Å; Y432-V441 HydrophobicContact CE2-CB 4.11Å; Y432-V441 HydrophobicContact CE2-CG2 4.08Å; Y432-V441 HydrophobicContact CG-CG2 4.37Å; V441-W448 HydrophobicContact CG1-CB 3.81Å; V441-W448 HydrophobicContact CG1-CG 4.15Å; V441-V453 HydrophobicContact CG2-CG1 4.34Å; V441-V453 HydrophobicContact CG2-CG2 4.38Å
442	E	94.9	Very high	91.1	Very high	120 Å²	120	67.2 Å²	67.2	56%	0.561	38%	0.376	S	S	*	.			trans	-103.6	115.7	178.3	-60.8	-167.2	175.1	0	0	109.7	K429	K429-E442 HydrophobicContact CD-CG 4.37Å; K429-E442 WeakPolarHBondContact CD-OE1 3.36Å; K429-E442 WeakPolarHBondContact CE-OE1 3.32Å; K429-E442 HydrophobicContact CG-CG 4.2Å; K429-E442 IonicContact NZ-OE1 2.6Å; K429-E442 PolarHBondContact NZ-OE1 2.87Å
443	P	95.7	Very high	91	Very high	9 Å²	9	67.5 Å²	67.5	6%	0.058	38%	0.378	C	S	.	.			trans	-59.7	141.5	172.7	-23.1	34.4	0	0	0	111.5	P427 P428 L430 W448	P427-P443 HydrophobicContact CB-CB 3.92Å; P427-P443 HydrophobicContact CB-CG 4.25Å; P427-P443 HydrophobicContact CG-CB 4.33Å; P427-P443 WeakPolarHBondContact CG-O 3.4Å; P428-P443 WeakPolarHBondContact O-CD 3.25Å; P428-P443 WeakPolarHBondContact O-CG 3.44Å; L430-P443 HydrophobicContact CD1-CG 3.76Å; L430-P443 HydrophobicContact CG-CG 3.94Å; P443-W448 HydrophobicContact CB-CE3 3.86Å; P443-W448 HydrophobicContact CB-CZ3 4.43Å; P443-W448 HydrophobicContact CG-CD2 4.42Å; P443-W448 HydrophobicContact CG-CE3 3.93Å; P443-W448 HydrophobicContact CG-CZ3 4.38Å
444	S	93.4	Very high	91.1	Very high	88 Å²	88	65.7 Å²	65.7	62%	0.615	37%	0.371	S	S	*	.	B	Isolated β-bridge	trans	-123.6	124.5	170.9	-178.1	0	0	0	0	109.5	G446 T447	S444-G446 PolarHBondContact O-N 3.42Å; S444-G446 VanDerWaalsContact O-N 3.16Å; S444-T447 PolarHBondContact N-O 2.81Å; S444-T447 PolarHBondContact O-N 3.41Å; S444-T447 VanDerWaalsContact O-O 3.06Å; S444-T447 PolarHBondContact O-OG1 3.42Å; S444-T447 VanDerWaalsContact O-OG1 3.13Å
445	N	91.6	Very high	91.3	Very high	50 Å²	50	59.2 Å²	59.2	27%	0.267	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.6	49.1	-177	-171.5	48.8	0	0	0	112.5	T447 V744 P751 A752 A774	N445-T447 VanDerWaalsContact C-N 3.3Å; N445-T447 PolarHBondContact O-N 3.05Å; N445-V744 WeakPolarHBondContact ND2-CG1 3.46Å; N445-P751 WeakPolarHBondContact OD1-CA 3.46Å; N445-A752 VanDerWaalsContact C-CB 3.49Å; N445-A752 PolarHBondContact OD1-N 3.35Å; N445-A774 VanDerWaalsContact O-CB 3.31Å; N445-A774 WeakPolarHBondContact O-CB 3.41Å
446	G	92.8	Very high	91.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	16.2	176.3	0	0	0	0	0	115.4	S444 R815 S816	S444-G446 PolarHBondContact O-N 3.42Å; S444-G446 VanDerWaalsContact O-N 3.16Å; G446-R815 CarbonylContact O-C 3.53Å; G446-R815 WeakPolarHBondContact O-CA 3.47Å; G446-S816 PolarHBondContact O-N 3.33Å
447	T	94.7	Very high	92.4	Very high	48 Å²	48	59.9 Å²	59.9	29%	0.294	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-136.2	151.6	175.4	64.6	0	0	0	0	111.8	S444 N445 A774 R815	S444-T447 PolarHBondContact N-O 2.81Å; S444-T447 PolarHBondContact O-N 3.41Å; S444-T447 VanDerWaalsContact O-O 3.06Å; S444-T447 PolarHBondContact O-OG1 3.42Å; S444-T447 VanDerWaalsContact O-OG1 3.13Å; N445-T447 VanDerWaalsContact C-N 3.3Å; N445-T447 PolarHBondContact O-N 3.05Å; T447-A774 HydrophobicContact CG2-CB 4.33Å; T447-R815 HydrophobicContact CG2-CG 4.22Å; T447-R815 VanDerWaalsContact CG2-CZ 3.42Å
448	W	94	Very high	92.6	Very high	18 Å²	18	57.3 Å²	57.3	7%	0.068	30%	0.3	C	S	.	.			trans	-148.8	172.8	170.3	60.5	102.6	0	0	0	110	L430 Y432 V441 P443 H808 M814 R815 S816	L430-W448 HydrophobicContact CD1-CD2 3.73Å; L430-W448 HydrophobicContact CD1-CE3 4.14Å; L430-W448 HydrophobicContact CD1-CG 4.23Å; L430-W448 HydrophobicContact CD1-CH2 4.01Å; L430-W448 HydrophobicContact CD1-CZ2 3.58Å; L430-W448 HydrophobicContact CD1-CZ3 4.25Å; Y432-W448 AromaticContact CE2-NE1 3.98Å; Y432-W448 AromaticContact CZ-NE1 3.83Å; Y432-W448 PolarHBondContact OH-NE1 3.36Å; V441-W448 HydrophobicContact CG1-CB 3.81Å; V441-W448 HydrophobicContact CG1-CG 4.15Å; P443-W448 HydrophobicContact CB-CE3 3.86Å; P443-W448 HydrophobicContact CB-CZ3 4.43Å; P443-W448 HydrophobicContact CG-CD2 4.42Å; P443-W448 HydrophobicContact CG-CE3 3.93Å; P443-W448 HydrophobicContact CG-CZ3 4.38Å; W448-H808 HydrophobicContact CH2-CB 4.23Å; W448-H808 AromaticContact CZ3-CD2 3.68Å; W448-M814 HydrophobicContact CD2-CB 4.34Å; W448-M814 HydrophobicContact CG-CB 4.33Å; W448-M814 PolarHBondContact N-O 3.3Å; W448-M814 WeakPolarHBondContact O-CB 3.45Å; W448-R815 VanDerWaalsContact CZ3-CA 3.5Å; W448-S816 VanDerWaalsContact CZ3-N 3.27Å
449	Q	87.6	Confident	92.8	Very high	102 Å²	102	54.4 Å²	54.4	48%	0.477	28%	0.28	S	S	.	.			trans	-131	147.8	176.7	-64.5	-176.2	-3.9	0	0	109.6	R451	Q449-R451 VanDerWaalsContact C-N 3.34Å; Q449-R451 HydrophobicContact CB-CG 4.34Å; Q449-R451 PolarHBondContact O-N 2.71Å
450	M	83.6	Confident	92.9	Very high	25 Å²	25	56.7 Å²	56.7	12%	0.123	29%	0.292	C	S	.	.			trans	-88.7	69.8	170.5	-68.7	-173.4	-144.6	0	0	110.5	Y432 V453 F455 L492 L583 M814	Y432-M450 HydrophobicContact CD1-CG 4.41Å; Y432-M450 HydrophobicContact CD1-SD 4.25Å; Y432-M450 HydrophobicContact CE1-CE 3.56Å; Y432-M450 HydrophobicContact CE1-CG 3.79Å; Y432-M450 HydrophobicContact CE1-SD 3.57Å; Y432-M450 VanDerWaalsContact CE1-SD 3.57Å; Y432-M450 WeakPolarHBondContact OH-CE 3.23Å; M450-V453 VanDerWaalsContact CA-CG2 3.5Å; M450-V453 HydrophobicContact CB-CG2 3.68Å; M450-V453 HydrophobicContact CG-CG2 3.94Å; M450-F455 HydrophobicContact CE-CD1 4.28Å; M450-F455 HydrophobicContact CE-CE1 3.91Å; M450-F455 HydrophobicContact SD-CD1 4.06Å; M450-F455 HydrophobicContact SD-CE1 3.86Å; M450-L492 HydrophobicContact SD-CD2 4.31Å; M450-L583 HydrophobicContact CE-CD2 3.41Å; M450-L583 VanDerWaalsContact CE-CD2 3.41Å; M450-L583 HydrophobicContact CE-CG 4.39Å; M450-M814 HydrophobicContact CB-SD 4.08Å; M450-M814 HydrophobicContact CE-CG 3.65Å; M450-M814 HydrophobicContact CE-SD 3.9Å; M450-M814 HydrophobicContact CG-CG 4.39Å; M450-M814 HydrophobicContact CG-SD 3.72Å; M450-M814 HydrophobicContact SD-SD 4.42Å
451	R	81.7	Confident	92.8	Very high	175 Å²	175	52.2 Å²	52.2	66%	0.66	27%	0.269	S	S	*	.	S	Bend	trans	-86.2	124.3	169.7	-66.4	-170.2	-159.4	178	6.3	109.2	Q449 V453	Q449-R451 VanDerWaalsContact C-N 3.34Å; Q449-R451 HydrophobicContact CB-CG 4.34Å; Q449-R451 PolarHBondContact O-N 2.71Å; R451-V453 PolarHBondContact O-N 2.89Å; R451-V453 VanDerWaalsContact O-N 3.13Å
452	D	86	Confident	92.7	Very high	138 Å²	138	55.1 Å²	55.1	74%	0.738	28%	0.283	S	S	*	.	S	Bend	trans	55.9	32.1	175	-44.8	-48.4	0	0	0	113.6	R434	R434-D452 PolarHBondContact NE-O 3.06Å
453	V	94.1	Very high	92.7	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.055	27%	0.267	C	S	.	.			trans	-135.6	152.9	175.1	-60.9	0	0	0	0	110.2	Y432 K433 A439 V441 M450 R451	Y432-V453 HydrophobicContact CD1-CG2 4.24Å; Y432-V453 HydrophobicContact CG-CB 4.4Å; Y432-V453 HydrophobicContact CG-CG2 4.12Å; K433-V453 CarbonylContact O-C 3.57Å; K433-V453 WeakPolarHBondContact O-CA 3.42Å; A439-V453 HydrophobicContact CB-CG1 3.73Å; V441-V453 HydrophobicContact CG2-CG1 4.34Å; V441-V453 HydrophobicContact CG2-CG2 4.38Å; M450-V453 VanDerWaalsContact CA-CG2 3.5Å; M450-V453 HydrophobicContact CB-CG2 3.68Å; M450-V453 HydrophobicContact CG-CG2 3.94Å; R451-V453 PolarHBondContact O-N 2.89Å; R451-V453 VanDerWaalsContact O-N 3.13Å
454	Q	96	Very high	92.8	Very high	52 Å²	52	50.9 Å²	50.9	24%	0.243	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-114.1	163.9	179.1	-65.3	-177.7	-49.3	0	0	109.6	Y432 K433 F456 D491 L492	Y432-Q454 WeakPolarHBondContact CD1-O 3.43Å; K433-Q454 HydrophobicContact CB-CB 4.24Å; K433-Q454 PolarHBondContact N-O 3.31Å; K433-Q454 PolarHBondContact O-N 3.01Å; Q454-F456 PolarHBondContact O-N 2.7Å; Q454-D491 PolarHBondContact NE2-O 2.88Å; Q454-D491 VanDerWaalsContact NE2-O 3.09Å; Q454-L492 WeakPolarHBondContact CB-O 3.41Å
455	F	96.4	Very high	93.1	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	23%	0.234	C	C	.	.			trans	-54	141.3	173.3	-61.9	-39.8	0	0	0	111	K433 M450 Q457 L492 M494 A582 L583 N586 N593	K433-F455 WeakPolarHBondContact CB-O 3.27Å; M450-F455 HydrophobicContact CE-CD1 4.28Å; M450-F455 HydrophobicContact CE-CE1 3.91Å; M450-F455 HydrophobicContact SD-CD1 4.06Å; M450-F455 HydrophobicContact SD-CE1 3.86Å; F455-Q457 PolarHBondContact O-N 2.94Å; F455-L492 HydrophobicContact CD2-CB 3.9Å; F455-L492 WeakPolarHBondContact CD2-O 3.42Å; F455-L492 HydrophobicContact CE1-CB 4.35Å; F455-L492 HydrophobicContact CE1-CD1 4.11Å; F455-L492 HydrophobicContact CE2-CB 3.62Å; F455-L492 HydrophobicContact CE2-CD1 4.09Å; F455-L492 HydrophobicContact CE2-CG 4.49Å; F455-L492 HydrophobicContact CG-CB 4.4Å; F455-L492 HydrophobicContact CZ-CB 3.88Å; F455-L492 HydrophobicContact CZ-CD1 3.57Å; F455-L492 HydrophobicContact CZ-CG 4.3Å; F455-L492 PolarHBondContact N-O 3.02Å; F455-M494 HydrophobicContact CD2-CG 3.78Å; F455-M494 HydrophobicContact CD2-SD 4.41Å; F455-M494 HydrophobicContact CE2-CG 3.86Å; F455-M494 HydrophobicContact CE2-SD 3.99Å; F455-A582 HydrophobicContact CZ-CB 4.21Å; F455-L583 HydrophobicContact CE1-CD2 3.74Å; F455-L583 HydrophobicContact CE1-CG 4.46Å; F455-L583 HydrophobicContact CZ-CD2 4.35Å; F455-N586 HydrophobicContact CD2-CB 3.79Å; F455-N586 VanDerWaalsContact CD2-CG 3.4Å; F455-N586 VanDerWaalsContact CD2-ND2 3.33Å; F455-N586 WeakPolarHBondContact CD2-ND2 3.39Å; F455-N586 HydrophobicContact CE2-CB 3.6Å; F455-N586 WeakPolarHBondContact CG-ND2 3.35Å; F455-N586 HydrophobicContact CZ-CB 4.21Å; F455-N593 WeakPolarHBondContact CA-O 3.44Å; F455-N593 HydrophobicContact CD1-CB 3.95Å; F455-N593 HydrophobicContact CE1-CB 4.31Å
456	F	95.5	Very high	93.4	Very high	58 Å²	58	44.3 Å²	44.3	25%	0.254	22%	0.222	S	C	.	.	S	Bend	trans	-52.2	-44.4	176.8	178.3	-99.1	0	0	0	111.6	E431 Q454 V592 N593 R595	E431-F456 HydrophobicContact CG-CD2 4.3Å; E431-F456 HydrophobicContact CG-CE2 4.32Å; Q454-F456 PolarHBondContact O-N 2.7Å; F456-V592 HydrophobicContact CB-CG1 4.27Å; F456-V592 HydrophobicContact CD1-CB 4.11Å; F456-V592 HydrophobicContact CD1-CG1 3.91Å; F456-V592 HydrophobicContact CG-CG1 4.49Å; F456-V592 PolarHBondContact N-O 2.89Å; F456-N593 PolarHBondContact N-O 2.87Å; F456-R595 HydrophobicContact CD1-CG 4.48Å; F456-R595 HydrophobicContact CD2-CG 4.1Å; F456-R595 HydrophobicContact CE1-CG 4.47Å; F456-R595 HydrophobicContact CE2-CG 4.09Å; F456-R595 VanDerWaalsContact CE2-NE 3.3Å; F456-R595 HydrophobicContact CG-CG 4.31Å; F456-R595 HydrophobicContact CZ-CG 4.29Å; F456-R595 VanDerWaalsContact CZ-NE 3.32Å
457	Q	95.5	Very high	93.6	Very high	90 Å²	90	44.3 Å²	44.3	42%	0.421	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-135.2	114.5	170.2	-173.2	-177.6	7.6	0	0	109.7	F455 N586 G591 V592 K644	F455-Q457 PolarHBondContact O-N 2.94Å; Q457-N586 PolarHBondContact O-ND2 3.03Å; Q457-N586 VanDerWaalsContact O-ND2 3.08Å; Q457-G591 CarbonylContact O-C 3.57Å; Q457-G591 WeakPolarHBondContact O-CA 3.46Å; Q457-V592 HydrophobicContact CB-CB 3.9Å; Q457-V592 HydrophobicContact CB-CG2 4.25Å; Q457-V592 PolarHBondContact N-O 3.45Å; Q457-V592 PolarHBondContact O-N 3.33Å; Q457-V592 VanDerWaalsContact O-O 3.14Å; Q457-K644 VanDerWaalsContact OE1-NZ 3.07Å
458	G	95.5	Very high	93.6	Very high	31 Å²	31	42 Å²	42	32%	0.32	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-73.9	137.5	170.9	0	0	0	0	0	112	G493 N586	G458-G493 WeakPolarHBondContact CA-O 3.48Å; G458-N586 WeakPolarHBondContact CA-OD1 3.45Å
459	G	95.3	Very high	93.7	Very high	6 Å²	6	41.3 Å²	41.3	6%	0.062	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-83.8	163.1	172.4	0	0	0	0	0	112.2	N495 N586	G459-N495 PolarHBondContact O-N 2.81Å; G459-N586 PolarHBondContact N-OD1 3.5Å
460	D	95.3	Very high	93.4	Very high	57 Å²	57	37.8 Å²	37.8	31%	0.305	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.7	178.2	-170.6	-69.6	0	0	0	111.4	L462 N495	D460-L462 PolarHBondContact OD1-N 2.8Å; D460-N495 PolarHBondContact OD2-ND2 3.34Å
461	C	94.5	Very high	93.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	45.4	173.4	-166.3	0	0	0	0	111	N463 N495 V496 G497 L532 M589	C461-N463 PolarHBondContact O-N 3.13Å; C461-N495 CarbonylContact C-O 3.57Å; C461-N495 PolarHBondContact N-O 3.2Å; C461-V496 HydrophobicContact CB-CG1 4.32Å; C461-V496 HydrophobicContact CB-CG2 4.19Å; C461-G497 PolarHBondContact O-N 3.41Å; C461-L532 WeakPolarHBondContact SG-CB 3.19Å; C461-M589 HydrophobicContact CB-CG 3.93Å; C461-M589 HydrophobicContact CB-SD 3.78Å
462	L	92.8	Very high	93	Very high	80 Å²	80	41.3 Å²	41.3	42%	0.419	22%	0.217	S	C	.	.				26.7	-100.6	126.8	-2.7	149.5	0	0	0	117.1	D460 N495 G497	D460-L462 PolarHBondContact OD1-N 2.8Å; L462-N495 WeakPolarHBondContact CD2-ND2 3.37Å; L462-N495 WeakPolarHBondContact CD2-OD1 3.35Å; L462-N495 WeakPolarHBondContact CG-ND2 3.49Å; L462-N495 PolarHBondContact N-O 3.23Å; L462-G497 WeakPolarHBondContact O-CA 3.46Å; L462-G497 PolarHBondContact O-N 2.94Å
463	N	95.9	Very high	92.6	Very high	40 Å²	40	39.8 Å²	39.8	21%	0.214	22%	0.218	C	C	.	.	S	Bend	trans	-119.1	123.7	-169.4	-43.9	-63.7	0	0	0	108.4	C461 D501 Y523 R531	C461-N463 PolarHBondContact O-N 3.13Å; N463-D501 VanDerWaalsContact CB-OD2 3.31Å; N463-D501 WeakPolarHBondContact CB-OD2 3.33Å; N463-Y523 HydrophobicContact CB-CE1 3.63Å; N463-R531 PolarHBondContact O-N 2.94Å; N463-R531 VanDerWaalsContact O-N 3.13Å
464	F	97.7	Very high	91.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	157.3	179.1	80.6	-86.6	0	0	0	110.1	C482 A486 V496 G497 K499 A500 D501 Y523 L532 F534	F464-C482 HydrophobicContact CE2-CB 3.8Å; F464-C482 HydrophobicContact CZ-CB 4.12Å; F464-A486 HydrophobicContact CE1-CB 4.38Å; F464-A486 HydrophobicContact CZ-CB 4.28Å; F464-V496 HydrophobicContact CD1-CG1 4.08Å; F464-V496 HydrophobicContact CE1-CG1 4.08Å; F464-G497 VanDerWaalsContact CE1-O 3.29Å; F464-G497 WeakPolarHBondContact CE1-O 3.49Å; F464-K499 WeakPolarHBondContact CE1-O 3.47Å; F464-K499 VanDerWaalsContact CZ-C 3.43Å; F464-A500 HydrophobicContact CD2-CB 4.27Å; F464-A500 HydrophobicContact CE2-CB 3.78Å; F464-A500 HydrophobicContact CZ-CB 4.25Å; F464-A500 CarbonylContact O-C 3.6Å; F464-A500 WeakPolarHBondContact O-CA 3.44Å; F464-D501 PolarHBondContact O-N 2.8Å; F464-Y523 PolarHBondContact N-OH 3.31Å; F464-Y523 PolarHBondContact O-OH 2.83Å; F464-L532 VanDerWaalsContact CA-O 3.28Å; F464-L532 WeakPolarHBondContact CA-O 3.49Å; F464-L532 HydrophobicContact CB-CB 4.02Å; F464-L532 VanDerWaalsContact CB-O 3.32Å; F464-L532 WeakPolarHBondContact CB-O 3.3Å; F464-F534 AromaticContact CD2-CD2 3.61Å; F464-F534 HydrophobicContact CD2-CD2 3.61Å; F464-F534 AromaticContact CD2-CE2 3.84Å; F464-F534 HydrophobicContact CD2-CE2 3.84Å; F464-F534 AromaticContact CE2-CD2 3.68Å; F464-F534 HydrophobicContact CE2-CD2 3.68Å; F464-F534 AromaticContact CE2-CE2 3.81Å; F464-F534 HydrophobicContact CE2-CE2 3.81Å
465	S	98.1	Very high	91.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	174.7	-179.9	-69	0	0	0	0	111	M502 Y523 L532 V533 F534	S465-M502 WeakPolarHBondContact CA-O 3.22Å; S465-M502 WeakPolarHBondContact CB-O 3.46Å; S465-M502 PolarHBondContact OG-N 2.78Å; S465-Y523 VanDerWaalsContact OG-CE2 3.25Å; S465-Y523 WeakPolarHBondContact OG-CE2 3.47Å; S465-Y523 PolarHBondContact OG-OH 2.98Å; S465-L532 PolarHBondContact N-O 2.91Å; S465-L532 VanDerWaalsContact N-O 3.09Å; S465-V533 CarbonylContact O-C 3.53Å; S465-V533 WeakPolarHBondContact O-CA 3.44Å; S465-F534 PolarHBondContact O-N 2.9Å
466	A	97.8	Very high	91.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.1	172.6	0	0	0	0	0	113	V478 M502 L503 L504 F534	A466-V478 HydrophobicContact CB-CG1 3.76Å; A466-M502 PolarHBondContact N-O 3.47Å; A466-L503 HydrophobicContact CB-CD2 3.67Å; A466-L503 WeakPolarHBondContact O-CA 3.38Å; A466-L504 PolarHBondContact O-N 2.97Å; A466-F534 CarbonylContact C-O 3.54Å; A466-F534 WeakPolarHBondContact CA-O 3.44Å; A466-F534 HydrophobicContact CB-CB 3.94Å
467	I	97.1	Very high	91.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.8	171.4	-60.7	173.2	0	0	0	108.2	L504 A506 F512 V515 L516 L519 V533 F534 V535 A536	I467-L504 CarbonylContact C-O 3.6Å; I467-L504 VanDerWaalsContact CA-O 3.22Å; I467-L504 WeakPolarHBondContact CA-O 3.43Å; I467-L504 HydrophobicContact CG1-CB 4.46Å; I467-A506 HydrophobicContact CG2-CB 3.79Å; I467-F512 HydrophobicContact CB-CE2 4.33Å; I467-F512 HydrophobicContact CD1-CD2 4.48Å; I467-F512 HydrophobicContact CD1-CE2 3.81Å; I467-F512 HydrophobicContact CD1-CZ 4.31Å; I467-F512 HydrophobicContact CG2-CD2 4.09Å; I467-F512 HydrophobicContact CG2-CE2 4Å; I467-V515 HydrophobicContact CD1-CG1 3.95Å; I467-V515 HydrophobicContact CG1-CG1 4.12Å; I467-V515 HydrophobicContact CG2-CG1 4.15Å; I467-L516 HydrophobicContact CD1-CB 4.41Å; I467-L516 HydrophobicContact CD1-CD1 4.07Å; I467-L519 HydrophobicContact CD1-CD1 4.19Å; I467-L519 HydrophobicContact CG1-CD1 4.18Å; I467-V533 HydrophobicContact CB-CG1 4.41Å; I467-V533 HydrophobicContact CD1-CG1 3.96Å; I467-V533 HydrophobicContact CG1-CG1 3.9Å; I467-F534 PolarHBondContact N-O 3.3Å; I467-V535 CarbonylContact O-C 3.58Å; I467-V535 VanDerWaalsContact O-CA 3.26Å; I467-V535 WeakPolarHBondContact O-CA 3.38Å; I467-A536 PolarHBondContact O-N 3.43Å
468	A	96.2	Very high	91.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.1	177	0	0	0	0	0	111.6	L475 V478 L504 P505 A506 A536	A468-L475 HydrophobicContact CB-CD2 3.71Å; A468-V478 HydrophobicContact CB-CG2 4.05Å; A468-L504 PolarHBondContact N-O 2.7Å; A468-P505 CarbonylContact O-C 3.6Å; A468-P505 WeakPolarHBondContact O-CA 3.38Å; A468-A506 PolarHBondContact O-N 2.9Å; A468-A536 HydrophobicContact CB-CB 3.93Å
469	F	94.3	Very high	91.4	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.013	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.9	167.8	-74.5	-85.6	0	0	0	110.5	A506 D508 F512 V535 A536 L537 E542 V546	F469-A506 WeakPolarHBondContact CA-O 3.26Å; F469-A506 HydrophobicContact CD1-CB 4Å; F469-A506 HydrophobicContact CE1-CB 4.01Å; F469-A506 HydrophobicContact CG-CB 4.47Å; F469-A506 HydrophobicContact CZ-CB 4.49Å; F469-D508 WeakPolarHBondContact CE1-O 3.09Å; F469-F512 HydrophobicContact CE1-CB 4.11Å; F469-F512 HydrophobicContact CE1-CD2 4.37Å; F469-F512 AromaticContact CE2-CD2 3.82Å; F469-F512 HydrophobicContact CE2-CD2 3.82Å; F469-F512 HydrophobicContact CE2-CE2 4.29Å; F469-F512 HydrophobicContact CZ-CB 3.79Å; F469-F512 AromaticContact CZ-CD2 3.49Å; F469-F512 HydrophobicContact CZ-CD2 3.49Å; F469-F512 VanDerWaalsContact CZ-CD2 3.49Å; F469-F512 HydrophobicContact CZ-CE2 4.35Å; F469-F512 AromaticContact CZ-CG 3.81Å; F469-F512 HydrophobicContact CZ-CG 3.81Å; F469-V535 HydrophobicContact CD2-CG1 4.08Å; F469-V535 HydrophobicContact CE2-CG1 3.79Å; F469-A536 PolarHBondContact N-O 3.07Å; F469-L537 HydrophobicContact CD2-CD2 3.87Å; F469-L537 HydrophobicContact CE2-CD2 3.87Å; F469-E542 WeakPolarHBondContact CB-OE1 3.4Å; F469-E542 WeakPolarHBondContact CB-OE2 3.36Å; F469-E542 HydrophobicContact CD1-CG 4.09Å; F469-E542 HydrophobicContact CD2-CB 4.3Å; F469-E542 HydrophobicContact CD2-CG 4.44Å; F469-E542 HydrophobicContact CE1-CB 4.41Å; F469-E542 HydrophobicContact CE1-CG 4.18Å; F469-E542 HydrophobicContact CE2-CB 4.07Å; F469-E542 VanDerWaalsContact CG-CD 3.4Å; F469-E542 HydrophobicContact CG-CG 4.21Å; F469-E542 WeakPolarHBondContact CG-OE2 3.26Å; F469-E542 HydrophobicContact CZ-CB 4.12Å; F469-E542 HydrophobicContact CZ-CG 4.39Å; F469-V546 HydrophobicContact CE2-CG2 3.55Å; F469-V546 HydrophobicContact CZ-CG2 3.87Å
470	G	82.1	Confident	91.3	Very high	28 Å²	28	42.4 Å²	42.4	29%	0.289	24%	0.243	S	C	.	.	S	Bend	trans	108.4	-147	174.3	0	0	0	0	0	114	A506	G470-A506 PolarHBondContact N-O 3.39Å
471	R	78.6	Confident	91.4	Very high	202 Å²	202	39.7 Å²	39.7	76%	0.762	23%	0.228	S	C	*	.			trans	-74.8	138	-172.3	-64.9	-176.9	-175.4	177.4	1	111.2	S473 S474	R471-S473 PolarHBondContact O-N 3.47Å; R471-S474 PolarHBondContact O-N 3.04Å; R471-S474 PolarHBondContact O-OG 2.8Å
472	P	78.7	Confident	91.5	Very high	71 Å²	71	39.7 Å²	39.7	46%	0.461	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-54.6	-26.3	176.5	-28	35.1	0	0	0	114.7	S474 L475 P505	P472-S474 PolarHBondContact O-N 2.91Å; P472-S474 VanDerWaalsContact O-N 3.09Å; P472-L475 HydrophobicContact CB-CD1 4.32Å; P472-L475 VanDerWaalsContact O-CB 3.3Å; P472-L475 WeakPolarHBondContact O-CB 3.4Å; P472-L475 VanDerWaalsContact O-CG 3.31Å; P472-L475 WeakPolarHBondContact O-CG 3.3Å; P472-L475 PolarHBondContact O-N 3.44Å; P472-P505 HydrophobicContact CG-CB 4.37Å
473	S	77.9	Confident	91.7	Very high	106 Å²	106	39.1 Å²	39.1	74%	0.741	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-59.7	-19.9	176.8	57.3	0	0	0	0	114.2	R471 L475	R471-S473 PolarHBondContact O-N 3.47Å; S473-L475 VanDerWaalsContact C-N 3.33Å
474	S	78.7	Confident	91.8	Very high	21 Å²	21	39 Å²	39	15%	0.147	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-77.7	-15	175.6	64.4	0	0	0	0	114	R471 P472 G476 Q477 V478	R471-S474 PolarHBondContact O-N 3.04Å; R471-S474 PolarHBondContact O-OG 2.8Å; P472-S474 PolarHBondContact O-N 2.91Å; P472-S474 VanDerWaalsContact O-N 3.09Å; S474-G476 VanDerWaalsContact C-N 3.28Å; S474-G476 PolarHBondContact O-N 3.13Å; S474-Q477 PolarHBondContact O-N 2.91Å; S474-V478 WeakPolarHBondContact O-CG2 3.23Å; S474-V478 PolarHBondContact O-N 2.59Å; S474-V478 VanDerWaalsContact O-N 3.16Å
475	L	90.5	Very high	91.8	Very high	28 Å²	28	39 Å²	39	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-32.4	-173.4	-70.3	170.4	0	0	0	113.1	A468 P472 S473 V478 G479 L503 P505	A468-L475 HydrophobicContact CB-CD2 3.71Å; P472-L475 HydrophobicContact CB-CD1 4.32Å; P472-L475 VanDerWaalsContact O-CB 3.3Å; P472-L475 WeakPolarHBondContact O-CB 3.4Å; P472-L475 VanDerWaalsContact O-CG 3.31Å; P472-L475 WeakPolarHBondContact O-CG 3.3Å; P472-L475 PolarHBondContact O-N 3.44Å; S473-L475 VanDerWaalsContact C-N 3.33Å; L475-V478 PolarHBondContact O-N 2.79Å; L475-G479 PolarHBondContact O-N 2.96Å; L475-L503 HydrophobicContact CD2-CB 4.37Å; L475-P505 HydrophobicContact CD1-CB 4.22Å; L475-P505 HydrophobicContact CD1-CG 4.25Å
476	G	92.6	Very high	91.7	Very high	58 Å²	58	39 Å²	39	60%	0.598	23%	0.229	S	C	*	.	H	α-helix	trans	-59.3	-50	176.1	0	0	0	0	0	112.3	S474 V478 G479 E480	S474-G476 VanDerWaalsContact C-N 3.28Å; S474-G476 PolarHBondContact O-N 3.13Å; G476-V478 VanDerWaalsContact C-N 3.3Å; G476-V478 PolarHBondContact O-N 2.97Å; G476-G479 PolarHBondContact O-N 2.84Å; G476-G479 VanDerWaalsContact O-N 3.13Å; G476-E480 PolarHBondContact O-N 3.42Å
477	Q	92.8	Very high	91.7	Very high	91 Å²	91	45.5 Å²	45.5	43%	0.425	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-35.9	176.5	-69.8	-178.3	-16.2	0	0	112	S474 G479 E480 F481 L566	S474-Q477 PolarHBondContact O-N 2.91Å; Q477-G479 VanDerWaalsContact C-N 3.31Å; Q477-E480 PolarHBondContact O-N 2.87Å; Q477-F481 VanDerWaalsContact O-CB 3.29Å; Q477-F481 WeakPolarHBondContact O-CB 3.09Å; Q477-F481 PolarHBondContact O-N 3Å; Q477-L566 HydrophobicContact CB-CD1 4.22Å; Q477-L566 HydrophobicContact CB-CD2 4.28Å; Q477-L566 HydrophobicContact CB-CG 4.46Å; Q477-L566 WeakPolarHBondContact O-CD1 3.5Å
478	V	95.7	Very high	91.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-37.2	175.1	173	0	0	0	0	111.2	A466 A468 S474 L475 G476 F481 C482 L503 A536 F561 L566	A466-V478 HydrophobicContact CB-CG1 3.76Å; A468-V478 HydrophobicContact CB-CG2 4.05Å; S474-V478 WeakPolarHBondContact O-CG2 3.23Å; S474-V478 PolarHBondContact O-N 2.59Å; S474-V478 VanDerWaalsContact O-N 3.16Å; L475-V478 PolarHBondContact O-N 2.79Å; G476-V478 VanDerWaalsContact C-N 3.3Å; G476-V478 PolarHBondContact O-N 2.97Å; V478-F481 WeakPolarHBondContact O-CB 3.35Å; V478-F481 PolarHBondContact O-N 3.35Å; V478-C482 WeakPolarHBondContact O-CB 3.5Å; V478-C482 PolarHBondContact O-N 3.28Å; V478-C482 PolarHBondContact O-SG 3.03Å; V478-L503 HydrophobicContact CG1-CD2 4.45Å; V478-A536 HydrophobicContact CG2-CB 3.8Å; V478-F561 HydrophobicContact CG1-CZ 4.24Å; V478-F561 HydrophobicContact CG2-CZ 4.45Å; V478-L566 HydrophobicContact CG2-CD1 4.39Å; V478-L566 HydrophobicContact CG2-CD2 4.05Å
479	G	96.2	Very high	91.7	Very high	14 Å²	14	46.4 Å²	46.4	14%	0.144	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-49.1	172.2	0	0	0	0	0	112.3	L475 G476 Q477 F481 C482 T483	L475-G479 PolarHBondContact O-N 2.96Å; G476-G479 PolarHBondContact O-N 2.84Å; G476-G479 VanDerWaalsContact O-N 3.13Å; Q477-G479 VanDerWaalsContact C-N 3.31Å; G479-F481 VanDerWaalsContact C-N 3.34Å; G479-F481 PolarHBondContact O-N 2.96Å; G479-C482 WeakPolarHBondContact O-CB 3.42Å; G479-C482 PolarHBondContact O-N 2.74Å; G479-C482 VanDerWaalsContact O-N 3.16Å; G479-T483 PolarHBondContact O-N 3.29Å; G479-T483 PolarHBondContact O-OG1 2.99Å; G479-T483 VanDerWaalsContact O-OG1 3.13Å
480	E	95	Very high	91.8	Very high	91 Å²	91	48.7 Å²	48.7	43%	0.425	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-42	176.5	-177.3	176.1	-164.8	0	0	112.5	G476 Q477 C482 T483 T484 A570 H573	G476-E480 PolarHBondContact O-N 3.42Å; Q477-E480 PolarHBondContact O-N 2.87Å; E480-C482 VanDerWaalsContact C-N 3.34Å; E480-C482 PolarHBondContact O-N 2.77Å; E480-T483 PolarHBondContact O-N 2.72Å; E480-T484 WeakPolarHBondContact O-CB 3.29Å; E480-T484 PolarHBondContact O-N 2.82Å; E480-T484 PolarHBondContact O-OG1 2.78Å; E480-A570 HydrophobicContact CG-CB 4.4Å; E480-H573 IonicContact OE1-CE1 3.08Å
481	F	96.5	Very high	92.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-55	-49.7	171.7	169.8	-87.2	0	0	0	111.5	Q477 V478 G479 T483 T484 V485 F534 F561 V565 L566 V569 A570 L581	Q477-F481 VanDerWaalsContact O-CB 3.29Å; Q477-F481 WeakPolarHBondContact O-CB 3.09Å; Q477-F481 PolarHBondContact O-N 3Å; V478-F481 WeakPolarHBondContact O-CB 3.35Å; V478-F481 PolarHBondContact O-N 3.35Å; G479-F481 VanDerWaalsContact C-N 3.34Å; G479-F481 PolarHBondContact O-N 2.96Å; F481-T483 PolarHBondContact O-N 2.92Å; F481-T484 PolarHBondContact O-N 2.9Å; F481-V485 HydrophobicContact CD1-CG2 4.38Å; F481-V485 HydrophobicContact CD2-CG2 4.41Å; F481-V485 HydrophobicContact CE1-CG2 4.01Å; F481-V485 HydrophobicContact CE2-CG2 4.04Å; F481-V485 HydrophobicContact CZ-CG2 3.83Å; F481-V485 WeakPolarHBondContact O-CG2 3.41Å; F481-V485 PolarHBondContact O-N 2.94Å; F481-F534 AromaticContact CE1-CD1 3.83Å; F481-F534 HydrophobicContact CE1-CD1 3.83Å; F481-F534 HydrophobicContact CE1-CE1 4.14Å; F481-F534 HydrophobicContact CE1-CG 4.38Å; F481-F561 AromaticContact CD1-CE1 3.93Å; F481-F561 HydrophobicContact CD1-CE1 3.93Å; F481-F561 HydrophobicContact CD1-CE2 4.13Å; F481-F561 AromaticContact CD1-CZ 3.68Å; F481-F561 HydrophobicContact CD1-CZ 3.68Å; F481-F561 HydrophobicContact CD2-CE2 4.34Å; F481-F561 AromaticContact CE1-CD1 3.65Å; F481-F561 HydrophobicContact CE1-CD1 3.65Å; F481-F561 HydrophobicContact CE1-CD2 4.31Å; F481-F561 AromaticContact CE1-CE1 3.44Å; F481-F561 HydrophobicContact CE1-CE1 3.44Å; F481-F561 VanDerWaalsContact CE1-CE1 3.44Å; F481-F561 HydrophobicContact CE1-CE2 4.1Å; F481-F561 HydrophobicContact CE1-CG 4.09Å; F481-F561 AromaticContact CE1-CZ 3.65Å; F481-F561 HydrophobicContact CE1-CZ 3.65Å; F481-F561 HydrophobicContact CE2-CD2 4.1Å; F481-F561 HydrophobicContact CE2-CE2 4.31Å; F481-F561 HydrophobicContact CE2-CG 4.24Å; F481-F561 HydrophobicContact CG-CE2 4.26Å; F481-F561 HydrophobicContact CG-CZ 4.23Å; F481-F561 HydrophobicContact CZ-CB 4.31Å; F481-F561 AromaticContact CZ-CD1 3.71Å; F481-F561 HydrophobicContact CZ-CD1 3.71Å; F481-F561 AromaticContact CZ-CD2 3.97Å; F481-F561 HydrophobicContact CZ-CD2 3.97Å; F481-F561 AromaticContact CZ-CE1 3.96Å; F481-F561 HydrophobicContact CZ-CE1 3.96Å; F481-F561 HydrophobicContact CZ-CE2 4.19Å; F481-F561 AromaticContact CZ-CG 3.72Å; F481-F561 HydrophobicContact CZ-CG 3.72Å; F481-F561 HydrophobicContact CZ-CZ 4.16Å; F481-V565 HydrophobicContact CE2-CG1 4.26Å; F481-L566 HydrophobicContact CB-CD1 3.53Å; F481-L566 HydrophobicContact CD2-CD1 4.04Å; F481-L566 HydrophobicContact CG-CD1 3.97Å; F481-V569 HydrophobicContact CD2-CB 3.7Å; F481-V569 HydrophobicContact CD2-CG1 3.75Å; F481-V569 HydrophobicContact CD2-CG2 4.29Å; F481-V569 HydrophobicContact CE2-CB 3.93Å; F481-V569 HydrophobicContact CE2-CG1 4.12Å; F481-V569 HydrophobicContact CE2-CG2 3.99Å; F481-A570 HydrophobicContact CB-CB 4.32Å; F481-L581 HydrophobicContact CE2-CD1 3.77Å; F481-L581 HydrophobicContact CZ-CD1 3.6Å
482	C	97.3	Very high	93.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-46.8	-179.9	-73.1	0	0	0	0	111.4	F464 V478 G479 E480 T484 V485 A486 A500	F464-C482 HydrophobicContact CE2-CB 3.8Å; F464-C482 HydrophobicContact CZ-CB 4.12Å; V478-C482 WeakPolarHBondContact O-CB 3.5Å; V478-C482 PolarHBondContact O-N 3.28Å; V478-C482 PolarHBondContact O-SG 3.03Å; G479-C482 WeakPolarHBondContact O-CB 3.42Å; G479-C482 PolarHBondContact O-N 2.74Å; G479-C482 VanDerWaalsContact O-N 3.16Å; E480-C482 VanDerWaalsContact C-N 3.34Å; E480-C482 PolarHBondContact O-N 2.77Å; C482-T484 VanDerWaalsContact C-N 3.34Å; C482-T484 PolarHBondContact O-N 3.31Å; C482-V485 PolarHBondContact O-N 2.78Å; C482-A486 WeakPolarHBondContact O-CB 3.3Å; C482-A486 PolarHBondContact O-N 3.43Å; C482-A500 HydrophobicContact CB-CB 4.39Å
483	T	97	Very high	94	Very high	67 Å²	67	41.1 Å²	41.1	41%	0.411	25%	0.246	S	C	.	.	H	α-helix	trans	-59.7	-44.2	177.4	-57.5	0	0	0	0	111.6	G479 E480 F481 A486 K487	G479-T483 PolarHBondContact O-N 3.29Å; G479-T483 PolarHBondContact O-OG1 2.99Å; G479-T483 VanDerWaalsContact O-OG1 3.13Å; E480-T483 PolarHBondContact O-N 2.72Å; F481-T483 PolarHBondContact O-N 2.92Å; T483-A486 PolarHBondContact O-N 2.99Å; T483-K487 WeakPolarHBondContact O-CB 3.37Å; T483-K487 PolarHBondContact O-N 3.04Å
484	T	96.8	Very high	94.9	Very high	38 Å²	38	36.5 Å²	36.5	23%	0.233	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-46.9	179.7	-58.5	0	0	0	0	111.6	E480 F481 C482 K487 V488 V569	E480-T484 WeakPolarHBondContact O-CB 3.29Å; E480-T484 PolarHBondContact O-N 2.82Å; E480-T484 PolarHBondContact O-OG1 2.78Å; F481-T484 PolarHBondContact O-N 2.9Å; C482-T484 VanDerWaalsContact C-N 3.34Å; C482-T484 PolarHBondContact O-N 3.31Å; T484-K487 PolarHBondContact O-N 3.17Å; T484-V488 WeakPolarHBondContact O-CG2 3.22Å; T484-V488 PolarHBondContact O-N 2.82Å; T484-V488 VanDerWaalsContact O-N 3.14Å; T484-V569 HydrophobicContact CG2-CG1 3.75Å
485	V	97.2	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-42.3	178.2	175.9	0	0	0	0	110.8	F481 C482 K487 V488 C489 F534 V569 L581	F481-V485 HydrophobicContact CD1-CG2 4.38Å; F481-V485 HydrophobicContact CD2-CG2 4.41Å; F481-V485 HydrophobicContact CE1-CG2 4.01Å; F481-V485 HydrophobicContact CE2-CG2 4.04Å; F481-V485 HydrophobicContact CZ-CG2 3.83Å; F481-V485 WeakPolarHBondContact O-CG2 3.41Å; F481-V485 PolarHBondContact O-N 2.94Å; C482-V485 PolarHBondContact O-N 2.78Å; V485-K487 VanDerWaalsContact C-N 3.35Å; V485-K487 PolarHBondContact O-N 2.65Å; V485-V488 PolarHBondContact O-N 3.42Å; V485-C489 PolarHBondContact O-N 3.25Å; V485-C489 PolarHBondContact O-SG 3.42Å; V485-F534 HydrophobicContact CB-CZ 4.38Å; V485-F534 HydrophobicContact CG1-CE1 4.16Å; V485-F534 HydrophobicContact CG1-CZ 3.73Å; V485-V569 HydrophobicContact CG2-CG1 4.13Å; V485-L581 HydrophobicContact CG1-CB 4.33Å; V485-L581 HydrophobicContact CG2-CD1 3.99Å
486	A	97.5	Very high	96.1	Very high	1 Å²	1	38 Å²	38	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-41.8	177.3	0	0	0	0	0	112.2	F464 C482 T483 C489 N490 V496 G497	F464-A486 HydrophobicContact CE1-CB 4.38Å; F464-A486 HydrophobicContact CZ-CB 4.28Å; C482-A486 WeakPolarHBondContact O-CB 3.3Å; C482-A486 PolarHBondContact O-N 3.43Å; T483-A486 PolarHBondContact O-N 2.99Å; A486-C489 WeakPolarHBondContact O-CB 3.46Å; A486-C489 PolarHBondContact O-N 3.47Å; A486-N490 PolarHBondContact O-N 3.03Å; A486-N490 PolarHBondContact O-ND2 3.18Å; A486-V496 HydrophobicContact CB-CG1 4.04Å; A486-G497 VanDerWaalsContact CB-O 3.27Å; A486-G497 WeakPolarHBondContact CB-O 3.39Å
487	K	97	Very high	96.3	Very high	136 Å²	136	36 Å²	36	59%	0.591	20%	0.199	S	C	*	.	H	α-helix	trans	-56.2	-52.2	173	-177.6	-175.4	174.3	-174.4	0	110.9	T483 T484 V485 C489 N490 D491	T483-K487 WeakPolarHBondContact O-CB 3.37Å; T483-K487 PolarHBondContact O-N 3.04Å; T484-K487 PolarHBondContact O-N 3.17Å; V485-K487 VanDerWaalsContact C-N 3.35Å; V485-K487 PolarHBondContact O-N 2.65Å; K487-C489 VanDerWaalsContact C-N 3.31Å; K487-C489 PolarHBondContact O-N 3.28Å; K487-N490 PolarHBondContact O-N 2.69Å; K487-N490 VanDerWaalsContact O-N 3.09Å; K487-D491 VanDerWaalsContact O-CG 3.27Å; K487-D491 PolarHBondContact O-N 2.75Å
488	V	96.3	Very high	96.4	Very high	18 Å²	18	42.1 Å²	42.1	11%	0.109	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-38.5	179.3	173.7	0	0	0	0	112	T484 V485 D491 L492 A578 A582	T484-V488 WeakPolarHBondContact O-CG2 3.22Å; T484-V488 PolarHBondContact O-N 2.82Å; T484-V488 VanDerWaalsContact O-N 3.14Å; V485-V488 PolarHBondContact O-N 3.42Å; V488-D491 PolarHBondContact O-N 3.39Å; V488-L492 HydrophobicContact CG1-CD1 3.84Å; V488-L492 HydrophobicContact CG1-CG 4.48Å; V488-L492 WeakPolarHBondContact O-CB 3.49Å; V488-L492 VanDerWaalsContact O-CG 3.26Å; V488-L492 WeakPolarHBondContact O-CG 3.32Å; V488-L492 PolarHBondContact O-N 2.8Å; V488-A578 HydrophobicContact CB-CB 4.33Å; V488-A578 HydrophobicContact CG1-CB 4.43Å; V488-A578 HydrophobicContact CG2-CB 3.88Å; V488-A582 HydrophobicContact CG1-CB 4.12Å
489	C	97.2	Very high	96.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-45.5	173.8	-70.4	0	0	0	0	111.9	V485 A486 K487 L492 G493 M494 V496	V485-C489 PolarHBondContact O-N 3.25Å; V485-C489 PolarHBondContact O-SG 3.42Å; A486-C489 WeakPolarHBondContact O-CB 3.46Å; A486-C489 PolarHBondContact O-N 3.47Å; K487-C489 VanDerWaalsContact C-N 3.31Å; K487-C489 PolarHBondContact O-N 3.28Å; C489-L492 CarbonylContact O-C 3.57Å; C489-L492 PolarHBondContact O-N 3.37Å; C489-G493 PolarHBondContact O-N 3.43Å; C489-M494 HydrophobicContact CB-CB 4.12Å; C489-M494 HydrophobicContact CB-CG 4.26Å; C489-M494 HydrophobicContact CB-SD 3.77Å; C489-M494 VanDerWaalsContact O-CB 3.27Å; C489-M494 WeakPolarHBondContact O-CB 3.3Å; C489-M494 PolarHBondContact O-N 3.37Å; C489-V496 HydrophobicContact CB-CB 4.31Å; C489-V496 HydrophobicContact CB-CG2 3.63Å
490	N	97	Very high	96.5	Very high	52 Å²	52	49.3 Å²	49.3	28%	0.278	25%	0.248	S	C	.	.	H	α-helix	trans	-66.2	-42.4	178.3	-73.8	-61.9	0	0	0	112	A486 K487 L492 G493 M494 V496	A486-N490 PolarHBondContact O-N 3.03Å; A486-N490 PolarHBondContact O-ND2 3.18Å; K487-N490 PolarHBondContact O-N 2.69Å; K487-N490 VanDerWaalsContact O-N 3.09Å; N490-L492 PolarHBondContact O-N 3.08Å; N490-G493 PolarHBondContact O-N 3Å; N490-M494 WeakPolarHBondContact CA-O 3.37Å; N490-M494 PolarHBondContact OD1-O 2.88Å; N490-M494 VanDerWaalsContact OD1-O 3.07Å; N490-V496 PolarHBondContact ND2-O 2.84Å; N490-V496 PolarHBondContact OD1-N 3.02Å; N490-V496 PolarHBondContact OD1-O 2.94Å
491	D	94.7	Very high	96.6	Very high	95 Å²	95	48.3 Å²	48.3	51%	0.508	25%	0.246	S	C	.	.	H	α-helix	trans	-58.2	-36.3	175.7	-65.1	-18.3	0	0	0	110.9	Q454 K487 V488 G493	Q454-D491 PolarHBondContact NE2-O 2.88Å; Q454-D491 VanDerWaalsContact NE2-O 3.09Å; K487-D491 VanDerWaalsContact O-CG 3.27Å; K487-D491 PolarHBondContact O-N 2.75Å; V488-D491 PolarHBondContact O-N 3.39Å; D491-G493 PolarHBondContact O-N 3.08Å
492	L	95.9	Very high	96.6	Very high	17 Å²	17	50.2 Å²	50.2	9%	0.089	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	9.1	175.9	-64.8	171	0	0	0	114.2	M450 Q454 F455 V488 C489 N490 T579 A582	M450-L492 HydrophobicContact SD-CD2 4.31Å; Q454-L492 WeakPolarHBondContact CB-O 3.41Å; F455-L492 HydrophobicContact CD2-CB 3.9Å; F455-L492 WeakPolarHBondContact CD2-O 3.42Å; F455-L492 HydrophobicContact CE1-CB 4.35Å; F455-L492 HydrophobicContact CE1-CD1 4.11Å; F455-L492 HydrophobicContact CE2-CB 3.62Å; F455-L492 HydrophobicContact CE2-CD1 4.09Å; F455-L492 HydrophobicContact CE2-CG 4.49Å; F455-L492 HydrophobicContact CG-CB 4.4Å; F455-L492 HydrophobicContact CZ-CB 3.88Å; F455-L492 HydrophobicContact CZ-CD1 3.57Å; F455-L492 HydrophobicContact CZ-CG 4.3Å; F455-L492 PolarHBondContact N-O 3.02Å; V488-L492 HydrophobicContact CG1-CD1 3.84Å; V488-L492 HydrophobicContact CG1-CG 4.48Å; V488-L492 WeakPolarHBondContact O-CB 3.49Å; V488-L492 VanDerWaalsContact O-CG 3.26Å; V488-L492 WeakPolarHBondContact O-CG 3.32Å; V488-L492 PolarHBondContact O-N 2.8Å; C489-L492 CarbonylContact O-C 3.57Å; C489-L492 PolarHBondContact O-N 3.37Å; N490-L492 PolarHBondContact O-N 3.08Å; L492-T579 HydrophobicContact CD1-CG2 4.12Å; L492-A582 HydrophobicContact CD1-CB 3.87Å
493	G	95.1	Very high	96.5	Very high	30 Å²	30	53.3 Å²	53.3	31%	0.309	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	11.9	171.1	0	0	0	0	0	115.7	G458 C489 N490 D491	G458-G493 WeakPolarHBondContact CA-O 3.48Å; C489-G493 PolarHBondContact O-N 3.43Å; N490-G493 PolarHBondContact O-N 3Å; D491-G493 PolarHBondContact O-N 3.08Å
494	M	96.8	Very high	96.5	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.039	26%	0.258	C	S	.	.			trans	-77.2	161.7	167	-59.2	-170.3	62.4	0	0	111.3	F455 C489 N490 V496 V585 N586 M589	F455-M494 HydrophobicContact CD2-CG 3.78Å; F455-M494 HydrophobicContact CD2-SD 4.41Å; F455-M494 HydrophobicContact CE2-CG 3.86Å; F455-M494 HydrophobicContact CE2-SD 3.99Å; C489-M494 HydrophobicContact CB-CB 4.12Å; C489-M494 HydrophobicContact CB-CG 4.26Å; C489-M494 HydrophobicContact CB-SD 3.77Å; C489-M494 VanDerWaalsContact O-CB 3.27Å; C489-M494 WeakPolarHBondContact O-CB 3.3Å; C489-M494 PolarHBondContact O-N 3.37Å; N490-M494 WeakPolarHBondContact CA-O 3.37Å; N490-M494 PolarHBondContact OD1-O 2.88Å; N490-M494 VanDerWaalsContact OD1-O 3.07Å; M494-V496 HydrophobicContact CB-CG2 3.74Å; M494-V496 HydrophobicContact CE-CG2 4Å; M494-V496 HydrophobicContact SD-CG2 4.36Å; M494-V585 HydrophobicContact CE-CG1 4Å; M494-V585 HydrophobicContact SD-CG1 4.34Å; M494-N586 HydrophobicContact CE-CB 4.06Å; M494-N586 HydrophobicContact CG-CB 4.23Å; M494-N586 WeakPolarHBondContact CG-OD1 3.3Å; M494-N586 VanDerWaalsContact SD-CA 3.58Å; M494-N586 HydrophobicContact SD-CB 3.5Å; M494-N586 VanDerWaalsContact SD-CB 3.5Å; M494-M589 HydrophobicContact CE-CB 4.13Å; M494-M589 HydrophobicContact CE-CG 4.11Å
495	N	96.2	Very high	96.4	Very high	74 Å²	74	51.3 Å²	51.3	40%	0.396	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	95.9	168.1	-175.5	27.1	0	0	0	109.4	G459 D460 C461 L462	G459-N495 PolarHBondContact O-N 2.81Å; D460-N495 PolarHBondContact OD2-ND2 3.34Å; C461-N495 CarbonylContact C-O 3.57Å; C461-N495 PolarHBondContact N-O 3.2Å; L462-N495 WeakPolarHBondContact CD2-ND2 3.37Å; L462-N495 WeakPolarHBondContact CD2-OD1 3.35Å; L462-N495 WeakPolarHBondContact CG-ND2 3.49Å; L462-N495 PolarHBondContact N-O 3.23Å
496	V	97.1	Very high	96.3	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.6	-176.4	-172.1	0	0	0	0	110.3	C461 F464 A486 C489 N490 M494	C461-V496 HydrophobicContact CB-CG1 4.32Å; C461-V496 HydrophobicContact CB-CG2 4.19Å; F464-V496 HydrophobicContact CD1-CG1 4.08Å; F464-V496 HydrophobicContact CE1-CG1 4.08Å; A486-V496 HydrophobicContact CB-CG1 4.04Å; C489-V496 HydrophobicContact CB-CB 4.31Å; C489-V496 HydrophobicContact CB-CG2 3.63Å; N490-V496 PolarHBondContact ND2-O 2.84Å; N490-V496 PolarHBondContact OD1-N 3.02Å; N490-V496 PolarHBondContact OD1-O 2.94Å; M494-V496 HydrophobicContact CB-CG2 3.74Å; M494-V496 HydrophobicContact CE-CG2 4Å; M494-V496 HydrophobicContact SD-CG2 4.36Å
497	G	96.3	Very high	95.9	Very high	16 Å²	16	58 Å²	58	17%	0.165	29%	0.29	C	S	.	.			trans	-50.1	146.8	171.4	0	0	0	0	0	112.1	C461 L462 F464 A486 K499	C461-G497 PolarHBondContact O-N 3.41Å; L462-G497 WeakPolarHBondContact O-CA 3.46Å; L462-G497 PolarHBondContact O-N 2.94Å; F464-G497 VanDerWaalsContact CE1-O 3.29Å; F464-G497 WeakPolarHBondContact CE1-O 3.49Å; A486-G497 VanDerWaalsContact CB-O 3.27Å; A486-G497 WeakPolarHBondContact CB-O 3.39Å; G497-K499 VanDerWaalsContact C-N 3.32Å; G497-K499 PolarHBondContact O-N 3.29Å
498	R	96.4	Very high	95.5	Very high	220 Å²	220	55.1 Å²	55.1	83%	0.83	28%	0.281	S	S	*	.	S	Bend	trans	-72.4	-25.8	-174.5	-66.6	-176.4	-178.5	179.7	0.8	113.8
499	K	96.3	Very high	95.2	Very high	150 Å²	150	57.4 Å²	57.4	65%	0.652	29%	0.292	S	S	*	.	S	Bend	trans	-144.3	160.4	-178.7	63.9	179.4	-178	177.9	0	109.6	F464 G497	F464-K499 WeakPolarHBondContact CE1-O 3.47Å; F464-K499 VanDerWaalsContact CZ-C 3.43Å; G497-K499 VanDerWaalsContact C-N 3.32Å; G497-K499 PolarHBondContact O-N 3.29Å
500	A	97.1	Very high	94.8	Very high	15 Å²	15	62.8 Å²	62.8	12%	0.124	33%	0.325	C	S	.	.			trans	-65.9	136.7	173	0	0	0	0	0	110.3	F464 C482 M502 L503	F464-A500 HydrophobicContact CD2-CB 4.27Å; F464-A500 HydrophobicContact CE2-CB 3.78Å; F464-A500 HydrophobicContact CZ-CB 4.25Å; F464-A500 CarbonylContact O-C 3.6Å; F464-A500 WeakPolarHBondContact O-CA 3.44Å; C482-A500 HydrophobicContact CB-CB 4.39Å; A500-M502 VanDerWaalsContact C-N 3.28Å; A500-M502 PolarHBondContact O-N 3.02Å; A500-L503 HydrophobicContact CB-CD2 3.7Å; A500-L503 HydrophobicContact CB-CG 4.37Å
501	D	97.1	Very high	94.6	Very high	70 Å²	70	61.4 Å²	61.4	37%	0.374	32%	0.321	S	S	.	.	S	Bend	trans	-68.1	-32.9	176.3	-71.3	-26.5	0	0	0	111.6	N463 F464 Y523	N463-D501 VanDerWaalsContact CB-OD2 3.31Å; N463-D501 WeakPolarHBondContact CB-OD2 3.33Å; F464-D501 PolarHBondContact O-N 2.8Å; D501-Y523 WeakPolarHBondContact CB-OH 3.32Å; D501-Y523 PolarHBondContact OD2-OH 3.16Å; D501-Y523 VanDerWaalsContact OD2-OH 3.06Å
502	M	96.3	Very high	94.6	Very high	39 Å²	39	56.9 Å²	56.9	19%	0.192	30%	0.297	C	S	.	.			trans	-142.7	144	178	-66.4	-179.9	-84.7	0	0	110.6	S465 A466 A500 L504 L519 E522 Y523	S465-M502 WeakPolarHBondContact CA-O 3.22Å; S465-M502 WeakPolarHBondContact CB-O 3.46Å; S465-M502 PolarHBondContact OG-N 2.78Å; A466-M502 PolarHBondContact N-O 3.47Å; A500-M502 VanDerWaalsContact C-N 3.28Å; A500-M502 PolarHBondContact O-N 3.02Å; M502-L504 HydrophobicContact CB-CG 4.5Å; M502-L519 HydrophobicContact CE-CG 3.86Å; M502-E522 HydrophobicContact CE-CB 3.83Å; M502-E522 HydrophobicContact SD-CB 3.7Å; M502-E522 HydrophobicContact SD-CG 4.05Å; M502-Y523 HydrophobicContact CE-CD2 3.26Å; M502-Y523 HydrophobicContact CE-CE2 3.18Å; M502-Y523 HydrophobicContact CE-CG 4.27Å
503	L	96	Very high	94.6	Very high	65 Å²	65	58.6 Å²	58.6	34%	0.34	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	110.5	172.6	-63.1	177.4	0	0	0	108.3	A466 L475 V478 A500	A466-L503 HydrophobicContact CB-CD2 3.67Å; A466-L503 WeakPolarHBondContact O-CA 3.38Å; L475-L503 HydrophobicContact CD2-CB 4.37Å; V478-L503 HydrophobicContact CG1-CD2 4.45Å; A500-L503 HydrophobicContact CB-CD2 3.7Å; A500-L503 HydrophobicContact CB-CG 4.37Å
504	L	95.7	Very high	94.6	Very high	25 Å²	25	64.7 Å²	64.7	13%	0.131	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.9	-174.4	-60	176.4	0	0	0	111.7	A466 I467 A468 M502 V515 L519	A466-L504 PolarHBondContact O-N 2.97Å; I467-L504 CarbonylContact C-O 3.6Å; I467-L504 VanDerWaalsContact CA-O 3.22Å; I467-L504 WeakPolarHBondContact CA-O 3.43Å; I467-L504 HydrophobicContact CG1-CB 4.46Å; A468-L504 PolarHBondContact N-O 2.7Å; M502-L504 HydrophobicContact CB-CG 4.5Å; L504-V515 HydrophobicContact CB-CG1 3.69Å; L504-V515 HydrophobicContact CD1-CG1 3.91Å; L504-V515 HydrophobicContact CG-CG1 4.46Å; L504-L519 HydrophobicContact CD1-CB 3.91Å; L504-L519 HydrophobicContact CD1-CD1 4.17Å; L504-L519 HydrophobicContact CD1-CG 4.45Å
505	P	95.3	Very high	94.6	Very high	39 Å²	39	65.5 Å²	65.5	25%	0.253	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	144.7	170.1	32.3	-30.6	0	0	0	111	A468 P472 L475	A468-P505 CarbonylContact O-C 3.6Å; A468-P505 WeakPolarHBondContact O-CA 3.38Å; P472-P505 HydrophobicContact CG-CB 4.37Å; L475-P505 HydrophobicContact CD1-CB 4.22Å; L475-P505 HydrophobicContact CD1-CG 4.25Å
506	A	94.4	Very high	94.6	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.5	163.8	0	0	0	0	0	108.6	I467 A468 F469 G470 D508 F512 V515	I467-A506 HydrophobicContact CG2-CB 3.79Å; A468-A506 PolarHBondContact O-N 2.9Å; F469-A506 WeakPolarHBondContact CA-O 3.26Å; F469-A506 HydrophobicContact CD1-CB 4Å; F469-A506 HydrophobicContact CE1-CB 4.01Å; F469-A506 HydrophobicContact CG-CB 4.47Å; F469-A506 HydrophobicContact CZ-CB 4.49Å; G470-A506 PolarHBondContact N-O 3.39Å; A506-D508 VanDerWaalsContact C-N 3.33Å; A506-D508 PolarHBondContact O-N 3.08Å; A506-F512 HydrophobicContact CB-CD2 4.44Å; A506-V515 HydrophobicContact CB-CG2 4.42Å
507	H	89.1	Confident	94.6	Very high	141 Å²	141	67 Å²	67	65%	0.653	33%	0.331	S	S	*	.			trans	-67.2	-36.7	-175.7	-70.5	-62.3	0	0	0	112.6
508	D	89.3	Confident	94.6	Very high	76 Å²	76	73.6 Å²	73.6	41%	0.406	35%	0.351	S	S	.	.	S	Bend	trans	-155.5	-179.9	179	62.7	41.8	0	0	0	111.2	F469 A506 T510 A511 F512	F469-D508 WeakPolarHBondContact CE1-O 3.09Å; A506-D508 VanDerWaalsContact C-N 3.33Å; A506-D508 PolarHBondContact O-N 3.08Å; D508-T510 VanDerWaalsContact C-N 3.26Å; D508-T510 PolarHBondContact O-N 2.75Å; D508-T510 WeakPolarHBondContact OD1-CA 3.26Å; D508-T510 WeakPolarHBondContact OD1-CB 3.16Å; D508-T510 PolarHBondContact OD1-N 2.69Å; D508-T510 PolarHBondContact OD1-OG1 3.19Å; D508-A511 PolarHBondContact O-N 2.98Å; D508-A511 PolarHBondContact OD1-N 3.17Å; D508-F512 PolarHBondContact O-N 3.47Å
509	I	89.8	Confident	94.6	Very high	66 Å²	66	63.1 Å²	63.1	34%	0.338	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.3	178.9	-65.5	177.6	0	0	0	111.7	F512 E542 E545	I509-F512 PolarHBondContact O-N 3.34Å; I509-E542 HydrophobicContact CD1-CG 4.11Å; I509-E542 HydrophobicContact CG1-CB 4.38Å; I509-E542 HydrophobicContact CG1-CG 3.78Å; I509-E545 HydrophobicContact CG2-CB 3.63Å; I509-E545 HydrophobicContact CG2-CG 3.61Å
510	T	89.2	Confident	94.6	Very high	113 Å²	113	58.4 Å²	58.4	69%	0.693	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-30.1	-176.9	70.6	0	0	0	0	112.4	D508	D508-T510 VanDerWaalsContact C-N 3.26Å; D508-T510 PolarHBondContact O-N 2.75Å; D508-T510 WeakPolarHBondContact OD1-CA 3.26Å; D508-T510 WeakPolarHBondContact OD1-CB 3.16Å; D508-T510 PolarHBondContact OD1-N 2.69Å; D508-T510 PolarHBondContact OD1-OG1 3.19Å
511	A	92.8	Very high	94.5	Very high	24 Å²	24	60.1 Å²	60.1	20%	0.198	31%	0.309	C	S	.	.	H	α-helix	trans	-75	-24.9	177	0	0	0	0	0	112.9	D508 E513 K514 V515	D508-A511 PolarHBondContact O-N 2.98Å; D508-A511 PolarHBondContact OD1-N 3.17Å; A511-E513 VanDerWaalsContact C-N 3.3Å; A511-E513 PolarHBondContact O-N 3.45Å; A511-K514 PolarHBondContact O-N 2.99Å; A511-K514 VanDerWaalsContact O-N 3.16Å; A511-V515 WeakPolarHBondContact O-CG2 3.34Å; A511-V515 PolarHBondContact O-N 3.42Å
512	F	94.8	Very high	94.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-54.6	-43.4	-172.4	-179.7	-98.6	0	0	0	113.1	I467 F469 A506 D508 I509 K514 V515 L516 V535 V546 T549	I467-F512 HydrophobicContact CB-CE2 4.33Å; I467-F512 HydrophobicContact CD1-CD2 4.48Å; I467-F512 HydrophobicContact CD1-CE2 3.81Å; I467-F512 HydrophobicContact CD1-CZ 4.31Å; I467-F512 HydrophobicContact CG2-CD2 4.09Å; I467-F512 HydrophobicContact CG2-CE2 4Å; F469-F512 HydrophobicContact CE1-CB 4.11Å; F469-F512 HydrophobicContact CE1-CD2 4.37Å; F469-F512 AromaticContact CE2-CD2 3.82Å; F469-F512 HydrophobicContact CE2-CD2 3.82Å; F469-F512 HydrophobicContact CE2-CE2 4.29Å; F469-F512 HydrophobicContact CZ-CB 3.79Å; F469-F512 AromaticContact CZ-CD2 3.49Å; F469-F512 HydrophobicContact CZ-CD2 3.49Å; F469-F512 VanDerWaalsContact CZ-CD2 3.49Å; F469-F512 HydrophobicContact CZ-CE2 4.35Å; F469-F512 AromaticContact CZ-CG 3.81Å; F469-F512 HydrophobicContact CZ-CG 3.81Å; A506-F512 HydrophobicContact CB-CD2 4.44Å; D508-F512 PolarHBondContact O-N 3.47Å; I509-F512 PolarHBondContact O-N 3.34Å; F512-K514 PolarHBondContact O-N 2.93Å; F512-V515 PolarHBondContact O-N 2.66Å; F512-L516 HydrophobicContact CE1-CD2 4.06Å; F512-L516 HydrophobicContact CZ-CD2 4.34Å; F512-L516 WeakPolarHBondContact O-CB 3.36Å; F512-L516 PolarHBondContact O-N 3.31Å; F512-V535 HydrophobicContact CE2-CG1 4.04Å; F512-V535 HydrophobicContact CE2-CG2 4.35Å; F512-V535 HydrophobicContact CZ-CG2 4.47Å; F512-V546 HydrophobicContact CD1-CG2 4.34Å; F512-V546 HydrophobicContact CD2-CG2 4.14Å; F512-V546 HydrophobicContact CE1-CB 4.18Å; F512-V546 HydrophobicContact CE1-CG1 4.22Å; F512-V546 HydrophobicContact CE1-CG2 4.09Å; F512-V546 HydrophobicContact CE2-CG1 4.39Å; F512-V546 HydrophobicContact CE2-CG2 3.87Å; F512-V546 HydrophobicContact CG-CG2 4.38Å; F512-V546 HydrophobicContact CZ-CB 4.1Å; F512-V546 HydrophobicContact CZ-CG1 3.77Å; F512-V546 HydrophobicContact CZ-CG2 3.85Å; F512-T549 HydrophobicContact CD1-CG2 4.36Å; F512-T549 HydrophobicContact CE1-CG2 4.39Å
513	E	95.3	Very high	94.5	Very high	53 Å²	53	58.4 Å²	58.4	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-47	-179.4	-177.2	166.7	160	0	0	111.9	A511 V515 L516 E517 R548 T549 K553 F554	A511-E513 VanDerWaalsContact C-N 3.3Å; A511-E513 PolarHBondContact O-N 3.45Å; E513-V515 VanDerWaalsContact C-N 3.33Å; E513-V515 PolarHBondContact O-N 2.9Å; E513-L516 PolarHBondContact O-N 3.1Å; E513-E517 WeakPolarHBondContact O-CB 3.46Å; E513-E517 PolarHBondContact O-N 3.2Å; E513-R548 IonicContact OE2-NH2 3.6Å; E513-R548 PolarHBondContact OE2-NH2 3.42Å; E513-T549 HydrophobicContact CB-CG2 3.88Å; E513-T549 HydrophobicContact CG-CG2 3.75Å; E513-K553 IonicContact OE1-NZ 3.3Å; E513-K553 PolarHBondContact OE1-NZ 3.28Å; E513-K553 IonicContact OE2-NZ 2.72Å; E513-K553 PolarHBondContact OE2-NZ 2.86Å; E513-F554 HydrophobicContact CG-CE2 4.2Å
514	K	96	Very high	94.4	Very high	157 Å²	157	63.6 Å²	63.6	68%	0.683	32%	0.318	S	S	*	.	H	α-helix	trans	-64	-38.1	177.4	-65.6	-178.1	178.7	-179.5	0	112.2	A511 F512 E517 R518	A511-K514 PolarHBondContact O-N 2.99Å; A511-K514 VanDerWaalsContact O-N 3.16Å; F512-K514 PolarHBondContact O-N 2.93Å; K514-E517 PolarHBondContact O-N 2.79Å; K514-R518 WeakPolarHBondContact O-CB 3.46Å; K514-R518 PolarHBondContact O-N 3.26Å
515	V	96.5	Very high	94.5	Very high	25 Å²	25	67.9 Å²	67.9	15%	0.152	35%	0.346	C	S	.	.	H	α-helix	trans	-65.7	-41.9	176.9	174.7	0	0	0	0	110.7	I467 L504 A506 A511 F512 E513 L519	I467-V515 HydrophobicContact CD1-CG1 3.95Å; I467-V515 HydrophobicContact CG1-CG1 4.12Å; I467-V515 HydrophobicContact CG2-CG1 4.15Å; L504-V515 HydrophobicContact CB-CG1 3.69Å; L504-V515 HydrophobicContact CD1-CG1 3.91Å; L504-V515 HydrophobicContact CG-CG1 4.46Å; A506-V515 HydrophobicContact CB-CG2 4.42Å; A511-V515 WeakPolarHBondContact O-CG2 3.34Å; A511-V515 PolarHBondContact O-N 3.42Å; F512-V515 PolarHBondContact O-N 2.66Å; E513-V515 VanDerWaalsContact C-N 3.33Å; E513-V515 PolarHBondContact O-N 2.9Å; V515-L519 WeakPolarHBondContact O-CB 3.38Å; V515-L519 PolarHBondContact O-N 2.83Å
516	L	96.5	Very high	94.4	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-67.9	-41.2	177.1	-172	62.3	0	0	0	111.6	I467 F512 E513 L519 V520 V533 T549 A550 F554 I556	I467-L516 HydrophobicContact CD1-CB 4.41Å; I467-L516 HydrophobicContact CD1-CD1 4.07Å; F512-L516 HydrophobicContact CE1-CD2 4.06Å; F512-L516 HydrophobicContact CZ-CD2 4.34Å; F512-L516 WeakPolarHBondContact O-CB 3.36Å; F512-L516 PolarHBondContact O-N 3.31Å; E513-L516 PolarHBondContact O-N 3.1Å; L516-L519 HydrophobicContact CD1-CD2 4.49Å; L516-L519 WeakPolarHBondContact O-CB 3.41Å; L516-L519 PolarHBondContact O-N 2.97Å; L516-V520 WeakPolarHBondContact O-CG2 3.49Å; L516-V520 PolarHBondContact O-N 3.43Å; L516-V533 HydrophobicContact CD1-CG2 4.24Å; L516-T549 HydrophobicContact CD2-CG2 4.2Å; L516-A550 HydrophobicContact CD2-CB 3.96Å; L516-F554 HydrophobicContact CD2-CB 4.32Å; L516-F554 HydrophobicContact CD2-CD2 3.61Å; L516-F554 HydrophobicContact CD2-CE2 4.16Å; L516-F554 HydrophobicContact CD2-CG 4.05Å; L516-F554 HydrophobicContact CG-CD2 4.19Å; L516-F554 HydrophobicContact CG-CE2 4.48Å; L516-F554 HydrophobicContact CG-CG 4.37Å; L516-I556 HydrophobicContact CD1-CD1 4.46Å
517	E	96.6	Very high	94.5	Very high	113 Å²	113	79.2 Å²	79.2	53%	0.528	40%	0.4	S	S	.	.	H	α-helix	trans	-58.4	-48.1	174.7	-174.8	176.4	-162.1	0	0	111.7	E513 K514 L519 V520 A521 F554	E513-E517 WeakPolarHBondContact O-CB 3.46Å; E513-E517 PolarHBondContact O-N 3.2Å; K514-E517 PolarHBondContact O-N 2.79Å; E517-L519 VanDerWaalsContact C-N 3.32Å; E517-L519 PolarHBondContact O-N 3.27Å; E517-V520 PolarHBondContact O-N 3.44Å; E517-A521 PolarHBondContact O-N 3.35Å; E517-F554 HydrophobicContact CB-CE1 4.15Å; E517-F554 HydrophobicContact CB-CZ 3.91Å; E517-F554 HydrophobicContact CG-CE1 4.43Å; E517-F554 HydrophobicContact CG-CZ 4.46Å
518	R	96.5	Very high	94.7	Very high	155 Å²	155	77 Å²	77	59%	0.585	39%	0.388	S	S	*	.	H	α-helix	trans	-56.8	-46.8	174.5	-179.6	-178.7	176.1	-176.1	0.2	111.4	K514 V520 A521 E522	K514-R518 WeakPolarHBondContact O-CB 3.46Å; K514-R518 PolarHBondContact O-N 3.26Å; R518-V520 VanDerWaalsContact C-N 3.32Å; R518-V520 PolarHBondContact O-N 2.72Å; R518-A521 PolarHBondContact O-N 3.06Å; R518-E522 HydrophobicContact CG-CG 4.4Å; R518-E522 VanDerWaalsContact O-CG 3.28Å; R518-E522 WeakPolarHBondContact O-CG 3.15Å; R518-E522 PolarHBondContact O-N 2.91Å
519	L	96.6	Very high	94.8	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-56.8	-47.7	177.8	-179	155.8	0	0	0	110.8	I467 M502 L504 V515 L516 E517 A521 E522 Y523 C530 V533	I467-L519 HydrophobicContact CD1-CD1 4.19Å; I467-L519 HydrophobicContact CG1-CD1 4.18Å; M502-L519 HydrophobicContact CE-CG 3.86Å; L504-L519 HydrophobicContact CD1-CB 3.91Å; L504-L519 HydrophobicContact CD1-CD1 4.17Å; L504-L519 HydrophobicContact CD1-CG 4.45Å; V515-L519 WeakPolarHBondContact O-CB 3.38Å; V515-L519 PolarHBondContact O-N 2.83Å; L516-L519 HydrophobicContact CD1-CD2 4.49Å; L516-L519 WeakPolarHBondContact O-CB 3.41Å; L516-L519 PolarHBondContact O-N 2.97Å; E517-L519 VanDerWaalsContact C-N 3.32Å; E517-L519 PolarHBondContact O-N 3.27Å; L519-A521 VanDerWaalsContact C-N 3.35Å; L519-A521 PolarHBondContact O-N 3.31Å; L519-E522 PolarHBondContact O-N 2.94Å; L519-Y523 HydrophobicContact CD2-CD2 3.72Å; L519-Y523 HydrophobicContact CD2-CE2 3.74Å; L519-Y523 HydrophobicContact CG-CD2 4.26Å; L519-Y523 HydrophobicContact CG-CE2 4.17Å; L519-Y523 VanDerWaalsContact O-CD2 3.29Å; L519-Y523 WeakPolarHBondContact O-CD2 3.38Å; L519-Y523 PolarHBondContact O-N 2.96Å; L519-Y523 VanDerWaalsContact O-N 3.11Å; L519-C530 HydrophobicContact CD2-CB 4.1Å; L519-V533 HydrophobicContact CD1-CG2 4.22Å; L519-V533 HydrophobicContact CD2-CG2 4.18Å
520	V	95.4	Very high	95	Very high	50 Å²	50	76 Å²	76	30%	0.303	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-41.5	179.1	175.2	0	0	0	0	111.9	L516 E517 R518 Y523 K524 F554 I556	L516-V520 WeakPolarHBondContact O-CG2 3.49Å; L516-V520 PolarHBondContact O-N 3.43Å; E517-V520 PolarHBondContact O-N 3.44Å; R518-V520 VanDerWaalsContact C-N 3.32Å; R518-V520 PolarHBondContact O-N 2.72Å; V520-Y523 PolarHBondContact O-N 2.95Å; V520-K524 PolarHBondContact O-N 3.49Å; V520-K524 VanDerWaalsContact O-N 3.08Å; V520-F554 HydrophobicContact CG2-CD1 4.05Å; V520-I556 HydrophobicContact CG2-CD1 3.19Å
521	A	96	Very high	95.2	Very high	51 Å²	51	76.7 Å²	76.7	42%	0.421	38%	0.378	S	S	.	.	H	α-helix	trans	-61.5	-44.8	176.7	0	0	0	0	0	111.8	E517 R518 L519 Y523 K524 V525	E517-A521 PolarHBondContact O-N 3.35Å; R518-A521 PolarHBondContact O-N 3.06Å; L519-A521 VanDerWaalsContact C-N 3.35Å; L519-A521 PolarHBondContact O-N 3.31Å; A521-Y523 VanDerWaalsContact C-N 3.35Å; A521-Y523 PolarHBondContact O-N 3.23Å; A521-K524 WeakPolarHBondContact O-CB 3.33Å; A521-K524 PolarHBondContact O-N 3.27Å; A521-K524 VanDerWaalsContact O-N 3.12Å; A521-V525 WeakPolarHBondContact O-CG2 3.38Å; A521-V525 PolarHBondContact O-N 3.08Å
522	E	96.4	Very high	95.4	Very high	64 Å²	64	75.6 Å²	75.6	30%	0.299	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-43.3	176.9	-70.4	-76.6	-175.2	0	0	111.9	M502 R518 L519 K524 V525 H526	M502-E522 HydrophobicContact CE-CB 3.83Å; M502-E522 HydrophobicContact SD-CB 3.7Å; M502-E522 HydrophobicContact SD-CG 4.05Å; R518-E522 HydrophobicContact CG-CG 4.4Å; R518-E522 VanDerWaalsContact O-CG 3.28Å; R518-E522 WeakPolarHBondContact O-CG 3.15Å; R518-E522 PolarHBondContact O-N 2.91Å; L519-E522 PolarHBondContact O-N 2.94Å; E522-K524 VanDerWaalsContact C-N 3.31Å; E522-K524 PolarHBondContact O-N 2.78Å; E522-V525 PolarHBondContact O-N 3.41Å; E522-H526 PolarHBondContact O-N 3.39Å; E522-H526 PolarHBondContact O-ND1 2.73Å; E522-H526 IonicContact OE2-CE1 2.7Å
523	Y	96.3	Very high	95.6	Very high	9 Å²	9	75.6 Å²	75.6	4%	0.035	37%	0.368	C	S	.	.	H	α-helix	trans	-59.7	-42.5	174.2	-91.7	-81	0	0	0	112.5	N463 F464 S465 D501 M502 L519 V520 A521 H526 N527 K528 C530	N463-Y523 HydrophobicContact CB-CE1 3.63Å; F464-Y523 PolarHBondContact N-OH 3.31Å; F464-Y523 PolarHBondContact O-OH 2.83Å; S465-Y523 VanDerWaalsContact OG-CE2 3.25Å; S465-Y523 WeakPolarHBondContact OG-CE2 3.47Å; S465-Y523 PolarHBondContact OG-OH 2.98Å; D501-Y523 WeakPolarHBondContact CB-OH 3.32Å; D501-Y523 PolarHBondContact OD2-OH 3.16Å; D501-Y523 VanDerWaalsContact OD2-OH 3.06Å; M502-Y523 HydrophobicContact CE-CD2 3.26Å; M502-Y523 HydrophobicContact CE-CE2 3.18Å; M502-Y523 HydrophobicContact CE-CG 4.27Å; L519-Y523 HydrophobicContact CD2-CD2 3.72Å; L519-Y523 HydrophobicContact CD2-CE2 3.74Å; L519-Y523 HydrophobicContact CG-CD2 4.26Å; L519-Y523 HydrophobicContact CG-CE2 4.17Å; L519-Y523 VanDerWaalsContact O-CD2 3.29Å; L519-Y523 WeakPolarHBondContact O-CD2 3.38Å; L519-Y523 PolarHBondContact O-N 2.96Å; L519-Y523 VanDerWaalsContact O-N 3.11Å; V520-Y523 PolarHBondContact O-N 2.95Å; A521-Y523 VanDerWaalsContact C-N 3.35Å; A521-Y523 PolarHBondContact O-N 3.23Å; Y523-H526 CarbonylContact O-C 3.56Å; Y523-H526 PolarHBondContact O-N 3.48Å; Y523-N527 PolarHBondContact O-N 3.35Å; Y523-K528 CarbonylContact C-O 3.45Å; Y523-K528 HydrophobicContact CD1-CB 3.64Å; Y523-K528 HydrophobicContact CE1-CB 4.25Å; Y523-K528 PolarHBondContact O-N 3.36Å; Y523-C530 HydrophobicContact CD1-CB 4.02Å; Y523-C530 HydrophobicContact CD2-CB 3.52Å; Y523-C530 HydrophobicContact CE1-CB 3.96Å; Y523-C530 HydrophobicContact CE2-CB 3.41Å; Y523-C530 VanDerWaalsContact CE2-CB 3.41Å; Y523-C530 VanDerWaalsContact CE2-SG 3.51Å; Y523-C530 HydrophobicContact CG-CB 3.81Å
524	K	95.1	Very high	95.7	Very high	174 Å²	174	73.2 Å²	73.2	76%	0.757	36%	0.357	S	S	*	.	H	α-helix	trans	-63.6	-41.5	178.1	-169.9	179.1	179.9	-177.6	0	111.9	V520 A521 E522 H526 N527	V520-K524 PolarHBondContact O-N 3.49Å; V520-K524 VanDerWaalsContact O-N 3.08Å; A521-K524 WeakPolarHBondContact O-CB 3.33Å; A521-K524 PolarHBondContact O-N 3.27Å; A521-K524 VanDerWaalsContact O-N 3.12Å; E522-K524 VanDerWaalsContact C-N 3.31Å; E522-K524 PolarHBondContact O-N 2.78Å; K524-H526 PolarHBondContact O-N 2.87Å; K524-N527 PolarHBondContact O-N 3.16Å; K524-N527 VanDerWaalsContact O-N 3.12Å
525	V	96.3	Very high	95.8	Very high	116 Å²	116	65.7 Å²	65.7	70%	0.703	33%	0.325	S	S	*	.	H	α-helix	trans	-58.8	-38.2	175.7	170	0	0	0	0	111.3	A521 E522 N527	A521-V525 WeakPolarHBondContact O-CG2 3.38Å; A521-V525 PolarHBondContact O-N 3.08Å; E522-V525 PolarHBondContact O-N 3.41Å; V525-N527 VanDerWaalsContact C-N 3.29Å; V525-N527 PolarHBondContact O-N 3.17Å
526	H	94.6	Very high	95.8	Very high	120 Å²	120	64.6 Å²	64.6	56%	0.556	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	10.8	179.9	-64.3	85.8	0	0	0	114	E522 Y523 K524 K528	E522-H526 PolarHBondContact O-N 3.39Å; E522-H526 PolarHBondContact O-ND1 2.73Å; E522-H526 IonicContact OE2-CE1 2.7Å; Y523-H526 CarbonylContact O-C 3.56Å; Y523-H526 PolarHBondContact O-N 3.48Å; K524-H526 PolarHBondContact O-N 2.87Å; H526-K528 PolarHBondContact O-N 2.63Å
527	N	94.8	Very high	95.7	Very high	157 Å²	157	64.9 Å²	64.9	84%	0.84	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	39	-175.6	-162.4	32.2	0	0	0	113.3	Y523 K524 V525	Y523-N527 PolarHBondContact O-N 3.35Å; K524-N527 PolarHBondContact O-N 3.16Å; K524-N527 VanDerWaalsContact O-N 3.12Å; V525-N527 VanDerWaalsContact C-N 3.29Å; V525-N527 PolarHBondContact O-N 3.17Å
528	K	94.1	Very high	95.5	Very high	95 Å²	95	62.7 Å²	62.7	41%	0.413	32%	0.317	S	S	.	.			trans	-119.4	161.5	177.2	-72.2	-179.9	179.6	-172.7	0	110.1	Y523 H526	Y523-K528 CarbonylContact C-O 3.45Å; Y523-K528 HydrophobicContact CD1-CB 3.64Å; Y523-K528 HydrophobicContact CE1-CB 4.25Å; Y523-K528 PolarHBondContact O-N 3.36Å; H526-K528 PolarHBondContact O-N 2.63Å
529	V	91.5	Very high	95	Very high	107 Å²	107	58.6 Å²	58.6	65%	0.648	31%	0.307	S	S	*	.			trans	-118.6	124.9	173	-179.5	0	0	0	0	109.3	R531	V529-R531 PolarHBondContact O-N 3.37Å
530	C	94.3	Very high	94.4	Very high	12 Å²	12	62 Å²	62	8%	0.081	33%	0.334	C	S	.	.			trans	-75	115.9	171.4	-165.4	0	0	0	0	109.7	L519 Y523 L532	L519-C530 HydrophobicContact CD2-CB 4.1Å; Y523-C530 HydrophobicContact CD1-CB 4.02Å; Y523-C530 HydrophobicContact CD2-CB 3.52Å; Y523-C530 HydrophobicContact CE1-CB 3.96Å; Y523-C530 HydrophobicContact CE2-CB 3.41Å; Y523-C530 VanDerWaalsContact CE2-CB 3.41Å; Y523-C530 VanDerWaalsContact CE2-SG 3.51Å; Y523-C530 HydrophobicContact CG-CB 3.81Å; C530-L532 PolarHBondContact SG-O 3.38Å; C530-L532 VanDerWaalsContact SG-O 3.36Å
531	R	93.1	Very high	93.9	Very high	129 Å²	129	66.3 Å²	66.3	49%	0.487	35%	0.349	S	S	.	.			trans	-91.3	-26.5	178.9	-58.8	-164.4	81.5	144.3	6	113	N463 V529 M557 M589	N463-R531 PolarHBondContact O-N 2.94Å; N463-R531 VanDerWaalsContact O-N 3.13Å; V529-R531 PolarHBondContact O-N 3.37Å; R531-M557 WeakPolarHBondContact O-CB 3.18Å; R531-M589 HydrophobicContact CB-SD 4.06Å
532	L	97.6	Very high	93.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138	-175.6	179	69.3	0	0	0	111.4	C461 F464 S465 C530 F534 M557 Q559 V585 M589	C461-L532 WeakPolarHBondContact SG-CB 3.19Å; F464-L532 VanDerWaalsContact CA-O 3.28Å; F464-L532 WeakPolarHBondContact CA-O 3.49Å; F464-L532 HydrophobicContact CB-CB 4.02Å; F464-L532 VanDerWaalsContact CB-O 3.32Å; F464-L532 WeakPolarHBondContact CB-O 3.3Å; S465-L532 PolarHBondContact N-O 2.91Å; S465-L532 VanDerWaalsContact N-O 3.09Å; C530-L532 PolarHBondContact SG-O 3.38Å; C530-L532 VanDerWaalsContact SG-O 3.36Å; L532-F534 HydrophobicContact CD2-CD2 4.2Å; L532-F534 HydrophobicContact CD2-CE2 3.65Å; L532-F534 HydrophobicContact CD2-CZ 3.84Å; L532-M557 CarbonylContact C-O 3.53Å; L532-M557 WeakPolarHBondContact CA-O 3.27Å; L532-M557 HydrophobicContact CD1-CB 4.34Å; L532-Q559 HydrophobicContact CD1-CB 4.07Å; L532-V585 HydrophobicContact CD2-CG1 3.84Å; L532-V585 HydrophobicContact CD2-CG2 4.31Å; L532-M589 HydrophobicContact CB-CE 4.22Å; L532-M589 HydrophobicContact CB-SD 4.34Å; L532-M589 HydrophobicContact CD1-CE 4.27Å
533	V	98.2	Very high	93.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119	166.5	-177.1	0	0	0	0	110.2	S465 I467 L516 L519 V535 I556 M557 T558 Q559	S465-V533 CarbonylContact O-C 3.53Å; S465-V533 WeakPolarHBondContact O-CA 3.44Å; I467-V533 HydrophobicContact CB-CG1 4.41Å; I467-V533 HydrophobicContact CD1-CG1 3.96Å; I467-V533 HydrophobicContact CG1-CG1 3.9Å; L516-V533 HydrophobicContact CD1-CG2 4.24Å; L519-V533 HydrophobicContact CD1-CG2 4.22Å; L519-V533 HydrophobicContact CD2-CG2 4.18Å; V533-V535 HydrophobicContact CG1-CG2 3.93Å; V533-I556 HydrophobicContact CG2-CG2 3.81Å; V533-M557 PolarHBondContact N-O 3.32Å; V533-T558 HydrophobicContact CB-CG2 4.21Å; V533-T558 CarbonylContact O-C 3.4Å; V533-T558 VanDerWaalsContact O-CA 3.24Å; V533-T558 WeakPolarHBondContact O-CA 3.3Å; V533-Q559 PolarHBondContact O-N 2.96Å
534	F	98.1	Very high	93.3	Very high	3 Å²	3	64.3 Å²	64.3	1%	0.013	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.8	166.1	-80.7	-71.7	0	0	0	109.3	F464 S465 A466 I467 F481 V485 L532 Q559 F561 V585	F464-F534 AromaticContact CD2-CD2 3.61Å; F464-F534 HydrophobicContact CD2-CD2 3.61Å; F464-F534 AromaticContact CD2-CE2 3.84Å; F464-F534 HydrophobicContact CD2-CE2 3.84Å; F464-F534 AromaticContact CE2-CD2 3.68Å; F464-F534 HydrophobicContact CE2-CD2 3.68Å; F464-F534 AromaticContact CE2-CE2 3.81Å; F464-F534 HydrophobicContact CE2-CE2 3.81Å; S465-F534 PolarHBondContact O-N 2.9Å; A466-F534 CarbonylContact C-O 3.54Å; A466-F534 WeakPolarHBondContact CA-O 3.44Å; A466-F534 HydrophobicContact CB-CB 3.94Å; I467-F534 PolarHBondContact N-O 3.3Å; F481-F534 AromaticContact CE1-CD1 3.83Å; F481-F534 HydrophobicContact CE1-CD1 3.83Å; F481-F534 HydrophobicContact CE1-CE1 4.14Å; F481-F534 HydrophobicContact CE1-CG 4.38Å; V485-F534 HydrophobicContact CB-CZ 4.38Å; V485-F534 HydrophobicContact CG1-CE1 4.16Å; V485-F534 HydrophobicContact CG1-CZ 3.73Å; L532-F534 HydrophobicContact CD2-CD2 4.2Å; L532-F534 HydrophobicContact CD2-CE2 3.65Å; L532-F534 HydrophobicContact CD2-CZ 3.84Å; F534-Q559 WeakPolarHBondContact CA-O 3.38Å; F534-Q559 HydrophobicContact CD1-CB 3.81Å; F534-Q559 HydrophobicContact CD1-CG 3.89Å; F534-Q559 HydrophobicContact CE1-CB 3.87Å; F534-Q559 HydrophobicContact CE1-CG 3.67Å; F534-F561 HydrophobicContact CB-CE1 4.04Å; F534-F561 HydrophobicContact CD1-CD1 4.45Å; F534-F561 HydrophobicContact CD1-CE1 4.36Å; F534-V585 HydrophobicContact CE1-CG2 4.2Å; F534-V585 HydrophobicContact CZ-CG2 4.05Å
535	V	97.5	Very high	93.2	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	108.5	-177.7	-169.9	0	0	0	0	110.7	I467 F469 F512 V533 L537 V546 T558 Q559 C560 F561	I467-V535 CarbonylContact O-C 3.58Å; I467-V535 VanDerWaalsContact O-CA 3.26Å; I467-V535 WeakPolarHBondContact O-CA 3.38Å; F469-V535 HydrophobicContact CD2-CG1 4.08Å; F469-V535 HydrophobicContact CE2-CG1 3.79Å; F512-V535 HydrophobicContact CE2-CG1 4.04Å; F512-V535 HydrophobicContact CE2-CG2 4.35Å; F512-V535 HydrophobicContact CZ-CG2 4.47Å; V533-V535 HydrophobicContact CG1-CG2 3.93Å; V535-L537 HydrophobicContact CG1-CD2 3.93Å; V535-L537 PolarHBondContact O-N 2.8Å; V535-V546 HydrophobicContact CB-CG1 4.28Å; V535-V546 HydrophobicContact CG1-CG1 4.21Å; V535-V546 HydrophobicContact CG1-CG2 3.92Å; V535-V546 HydrophobicContact CG2-CG1 3.93Å; V535-T558 HydrophobicContact CG2-CG2 4.13Å; V535-Q559 PolarHBondContact N-O 3.45Å; V535-C560 CarbonylContact O-C 3.59Å; V535-C560 WeakPolarHBondContact O-CA 3.46Å; V535-F561 PolarHBondContact O-N 2.94Å
536	A	96.3	Very high	93.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	112.9	175.3	0	0	0	0	0	109.1	I467 A468 F469 V478 F561	I467-A536 PolarHBondContact O-N 3.43Å; A468-A536 HydrophobicContact CB-CB 3.93Å; F469-A536 PolarHBondContact N-O 3.07Å; V478-A536 HydrophobicContact CG2-CB 3.8Å; A536-F561 HydrophobicContact CB-CD2 4.37Å; A536-F561 HydrophobicContact CB-CE1 4.16Å; A536-F561 HydrophobicContact CB-CE2 3.53Å; A536-F561 HydrophobicContact CB-CZ 3.42Å; A536-F561 VanDerWaalsContact CB-CZ 3.42Å
537	L	95.2	Very high	93.2	Very high	7 Å²	7	46 Å²	46	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	138.4	178.9	-56	-179.3	0	0	0	110.3	F469 V535 E542 Y543 V546 C560 F561 L562 Q563	F469-L537 HydrophobicContact CD2-CD2 3.87Å; F469-L537 HydrophobicContact CE2-CD2 3.87Å; V535-L537 HydrophobicContact CG1-CD2 3.93Å; V535-L537 PolarHBondContact O-N 2.8Å; L537-E542 VanDerWaalsContact CA-OE2 3.32Å; L537-E542 WeakPolarHBondContact CA-OE2 3.2Å; L537-E542 HydrophobicContact CD2-CB 3.96Å; L537-Y543 HydrophobicContact CD1-CD2 4.08Å; L537-V546 HydrophobicContact CD2-CG2 4.1Å; L537-C560 HydrophobicContact CD1-CB 3.85Å; L537-C560 HydrophobicContact CD2-CB 4.48Å; L537-C560 HydrophobicContact CG-CB 4.1Å; L537-F561 PolarHBondContact N-O 3.43Å; L537-L562 HydrophobicContact CB-CD2 4.08Å; L537-Q563 PolarHBondContact O-NE2 2.86Å
538	S	91.6	Very high	93.1	Very high	66 Å²	66	40.5 Å²	40.5	46%	0.462	21%	0.207	S	C	.	.	S	Bend	trans	-88.3	-33.8	169.1	90.3	0	0	0	0	111.3	E542	S538-E542 PolarHBondContact N-OE2 2.71Å; S538-E542 PolarHBondContact OG-OE1 3.25Å
539	D	86.7	Confident	93.1	Very high	70 Å²	70	36 Å²	36	37%	0.374	19%	0.187	S	C	.	.	S	Bend	trans	-139.9	150.4	178.4	-172.2	-74.5	0	0	0	111.2	K541 E542	D539-K541 PolarHBondContact O-N 3.27Å; D539-K541 VanDerWaalsContact OD1-CB 3.25Å; D539-K541 WeakPolarHBondContact OD1-CB 3.26Å; D539-K541 WeakPolarHBondContact OD1-CD 3.31Å; D539-K541 WeakPolarHBondContact OD1-CG 3.32Å; D539-K541 PolarHBondContact OD1-N 3.1Å; D539-E542 PolarHBondContact N-OE2 2.83Å; D539-E542 VanDerWaalsContact N-OE2 3.08Å; D539-E542 WeakPolarHBondContact O-CB 3.42Å; D539-E542 PolarHBondContact O-N 3.31Å
540	A	82.6	Confident	93.2	Very high	70 Å²	70	30.9 Å²	30.9	58%	0.579	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.4	179.5	0	0	0	0	0	113.9	E542 Y543	A540-E542 VanDerWaalsContact C-N 3.26Å; A540-E542 PolarHBondContact O-N 3.03Å; A540-Y543 VanDerWaalsContact O-CB 3.28Å; A540-Y543 WeakPolarHBondContact O-CB 3.26Å; A540-Y543 PolarHBondContact O-N 2.82Å
541	K	84.7	Confident	93.2	Very high	142 Å²	142	32.2 Å²	32.2	62%	0.617	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.7	178.4	-67.1	166.1	-170.9	169.7	0	112.6	D539 Y543	D539-K541 PolarHBondContact O-N 3.27Å; D539-K541 VanDerWaalsContact OD1-CB 3.25Å; D539-K541 WeakPolarHBondContact OD1-CB 3.26Å; D539-K541 WeakPolarHBondContact OD1-CD 3.31Å; D539-K541 WeakPolarHBondContact OD1-CG 3.32Å; D539-K541 PolarHBondContact OD1-N 3.1Å; K541-Y543 PolarHBondContact O-N 3.12Å
542	E	92.7	Very high	93	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-27.2	178.6	-64	163.8	168.2	0	0	112	F469 I509 L537 S538 D539 A540 S544 E545 V546	F469-E542 WeakPolarHBondContact CB-OE1 3.4Å; F469-E542 WeakPolarHBondContact CB-OE2 3.36Å; F469-E542 HydrophobicContact CD1-CG 4.09Å; F469-E542 HydrophobicContact CD2-CB 4.3Å; F469-E542 HydrophobicContact CD2-CG 4.44Å; F469-E542 HydrophobicContact CE1-CB 4.41Å; F469-E542 HydrophobicContact CE1-CG 4.18Å; F469-E542 HydrophobicContact CE2-CB 4.07Å; F469-E542 VanDerWaalsContact CG-CD 3.4Å; F469-E542 HydrophobicContact CG-CG 4.21Å; F469-E542 WeakPolarHBondContact CG-OE2 3.26Å; F469-E542 HydrophobicContact CZ-CB 4.12Å; F469-E542 HydrophobicContact CZ-CG 4.39Å; I509-E542 HydrophobicContact CD1-CG 4.11Å; I509-E542 HydrophobicContact CG1-CB 4.38Å; I509-E542 HydrophobicContact CG1-CG 3.78Å; L537-E542 VanDerWaalsContact CA-OE2 3.32Å; L537-E542 WeakPolarHBondContact CA-OE2 3.2Å; L537-E542 HydrophobicContact CD2-CB 3.96Å; S538-E542 PolarHBondContact N-OE2 2.71Å; S538-E542 PolarHBondContact OG-OE1 3.25Å; D539-E542 PolarHBondContact N-OE2 2.83Å; D539-E542 VanDerWaalsContact N-OE2 3.08Å; D539-E542 WeakPolarHBondContact O-CB 3.42Å; D539-E542 PolarHBondContact O-N 3.31Å; A540-E542 VanDerWaalsContact C-N 3.26Å; A540-E542 PolarHBondContact O-N 3.03Å; E542-S544 VanDerWaalsContact C-N 3.29Å; E542-S544 PolarHBondContact O-N 3.27Å; E542-E545 PolarHBondContact O-N 3.17Å; E542-V546 WeakPolarHBondContact O-CG2 3.31Å; E542-V546 PolarHBondContact O-N 2.85Å; E542-V546 VanDerWaalsContact O-N 3.14Å
543	Y	93.6	Very high	92.8	Very high	61 Å²	61	35.6 Å²	35.6	24%	0.239	19%	0.189	C	C	.	.	H	α-helix	trans	-55.1	-42.5	-175.9	-178.7	-92.5	0	0	0	112.9	L537 A540 K541 E545 V546 K547 C560 H835	L537-Y543 HydrophobicContact CD1-CD2 4.08Å; A540-Y543 VanDerWaalsContact O-CB 3.28Å; A540-Y543 WeakPolarHBondContact O-CB 3.26Å; A540-Y543 PolarHBondContact O-N 2.82Å; K541-Y543 PolarHBondContact O-N 3.12Å; Y543-E545 VanDerWaalsContact C-N 3.33Å; Y543-E545 PolarHBondContact O-N 3Å; Y543-V546 PolarHBondContact O-N 3.08Å; Y543-K547 HydrophobicContact CD1-CG 4.06Å; Y543-K547 HydrophobicContact CE1-CG 3.59Å; Y543-K547 HydrophobicContact CE2-CD 4.44Å; Y543-K547 HydrophobicContact CE2-CG 4.11Å; Y543-K547 HydrophobicContact CG-CG 4.5Å; Y543-K547 WeakPolarHBondContact O-CG 3.42Å; Y543-K547 PolarHBondContact O-N 3.05Å; Y543-K547 WeakPolarHBondContact OH-CE 3.42Å; Y543-C560 HydrophobicContact CD2-CB 4.03Å; Y543-C560 HydrophobicContact CE2-CB 4.17Å; Y543-H835 AromaticContact CD1-CE1 3.69Å; Y543-H835 AromaticContact CD1-CG 3.99Å; Y543-H835 AromaticContact CD1-ND1 3.79Å; Y543-H835 AromaticContact CD1-NE2 3.82Å; Y543-H835 AromaticContact CE1-CD2 3.7Å; Y543-H835 AromaticContact CE1-CG 3.99Å; Y543-H835 AromaticContact CE1-NE2 3.78Å
544	S	91.7	Very high	92.5	Very high	8 Å²	8	38.5 Å²	38.5	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-59.3	-46.7	-178.3	-60.3	0	0	0	0	111.4	E542 K547 R548 H835	E542-S544 VanDerWaalsContact C-N 3.29Å; E542-S544 PolarHBondContact O-N 3.27Å; S544-K547 PolarHBondContact O-N 3.25Å; S544-R548 WeakPolarHBondContact O-CB 3.39Å; S544-R548 PolarHBondContact O-N 3.45Å; S544-H835 PolarHBondContact OG-ND1 2.87Å
545	E	92.3	Very high	92.2	Very high	20 Å²	20	41.4 Å²	41.4	9%	0.093	23%	0.232	C	C	.	.	H	α-helix	trans	-68.2	-42.7	-177.6	-179.1	59.2	-164.6	0	0	111.6	I509 E542 Y543 K547 R548 T549	I509-E545 HydrophobicContact CG2-CB 3.63Å; I509-E545 HydrophobicContact CG2-CG 3.61Å; E542-E545 PolarHBondContact O-N 3.17Å; Y543-E545 VanDerWaalsContact C-N 3.33Å; Y543-E545 PolarHBondContact O-N 3Å; E545-K547 VanDerWaalsContact C-N 3.26Å; E545-K547 PolarHBondContact O-N 3.2Å; E545-R548 PolarHBondContact O-N 2.82Å; E545-R548 IonicContact OE1-CZ 2.71Å; E545-R548 IonicContact OE1-NE 3.8Å; E545-R548 IonicContact OE1-NH2 2.8Å; E545-R548 PolarHBondContact OE1-NH2 2.89Å; E545-R548 IonicContact OE2-CZ 3.93Å; E545-R548 IonicContact OE2-NE 3.92Å; E545-R548 PolarHBondContact OE2-NE 3.17Å; E545-R548 IonicContact OE2-NH2 3.04Å; E545-R548 PolarHBondContact OE2-NH2 2.97Å; E545-T549 WeakPolarHBondContact O-CB 3.36Å; E545-T549 PolarHBondContact O-N 3.4Å; E545-T549 PolarHBondContact O-OG1 3.49Å; E545-T549 PolarHBondContact OE1-OG1 3.05Å
546	V	95.8	Very high	92.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55.2	-45.4	174.8	174	0	0	0	0	111.1	F469 F512 V535 L537 E542 Y543 A550 T558	F469-V546 HydrophobicContact CE2-CG2 3.55Å; F469-V546 HydrophobicContact CZ-CG2 3.87Å; F512-V546 HydrophobicContact CD1-CG2 4.34Å; F512-V546 HydrophobicContact CD2-CG2 4.14Å; F512-V546 HydrophobicContact CE1-CB 4.18Å; F512-V546 HydrophobicContact CE1-CG1 4.22Å; F512-V546 HydrophobicContact CE1-CG2 4.09Å; F512-V546 HydrophobicContact CE2-CG1 4.39Å; F512-V546 HydrophobicContact CE2-CG2 3.87Å; F512-V546 HydrophobicContact CG-CG2 4.38Å; F512-V546 HydrophobicContact CZ-CB 4.1Å; F512-V546 HydrophobicContact CZ-CG1 3.77Å; F512-V546 HydrophobicContact CZ-CG2 3.85Å; V535-V546 HydrophobicContact CB-CG1 4.28Å; V535-V546 HydrophobicContact CG1-CG1 4.21Å; V535-V546 HydrophobicContact CG1-CG2 3.92Å; V535-V546 HydrophobicContact CG2-CG1 3.93Å; L537-V546 HydrophobicContact CD2-CG2 4.1Å; E542-V546 WeakPolarHBondContact O-CG2 3.31Å; E542-V546 PolarHBondContact O-N 2.85Å; E542-V546 VanDerWaalsContact O-N 3.14Å; Y543-V546 PolarHBondContact O-N 3.08Å; V546-A550 WeakPolarHBondContact O-CB 3.24Å; V546-A550 PolarHBondContact O-N 2.93Å; V546-T558 HydrophobicContact CG1-CG2 4.17Å
547	K	94.7	Very high	92	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-71.4	-43.2	-179.3	-67.4	-47	-174.5	-178.8	0	113.2	Y543 S544 E545 D551 T558	Y543-K547 HydrophobicContact CD1-CG 4.06Å; Y543-K547 HydrophobicContact CE1-CG 3.59Å; Y543-K547 HydrophobicContact CE2-CD 4.44Å; Y543-K547 HydrophobicContact CE2-CG 4.11Å; Y543-K547 HydrophobicContact CG-CG 4.5Å; Y543-K547 WeakPolarHBondContact O-CG 3.42Å; Y543-K547 PolarHBondContact O-N 3.05Å; Y543-K547 WeakPolarHBondContact OH-CE 3.42Å; S544-K547 PolarHBondContact O-N 3.25Å; E545-K547 VanDerWaalsContact C-N 3.26Å; E545-K547 PolarHBondContact O-N 3.2Å; K547-D551 WeakPolarHBondContact O-CB 3.18Å; K547-D551 PolarHBondContact O-N 3.2Å; K547-T558 PolarHBondContact NZ-O 3.37Å; K547-T558 PolarHBondContact NZ-OG1 3.02Å
548	R	92.2	Very high	92.1	Very high	42 Å²	42	46 Å²	46	16%	0.158	25%	0.254	C	S	.	.	I	π-helix	trans	-57.9	-53.6	175.7	-175.1	-165.4	73.9	83.4	1	110.1	E513 S544 E545 V552	E513-R548 IonicContact OE2-NH2 3.6Å; E513-R548 PolarHBondContact OE2-NH2 3.42Å; S544-R548 WeakPolarHBondContact O-CB 3.39Å; S544-R548 PolarHBondContact O-N 3.45Å; E545-R548 PolarHBondContact O-N 2.82Å; E545-R548 IonicContact OE1-CZ 2.71Å; E545-R548 IonicContact OE1-NE 3.8Å; E545-R548 IonicContact OE1-NH2 2.8Å; E545-R548 PolarHBondContact OE1-NH2 2.89Å; E545-R548 IonicContact OE2-CZ 3.93Å; E545-R548 IonicContact OE2-NE 3.92Å; E545-R548 PolarHBondContact OE2-NE 3.17Å; E545-R548 IonicContact OE2-NH2 3.04Å; E545-R548 PolarHBondContact OE2-NH2 2.97Å; R548-V552 WeakPolarHBondContact O-CB 3.48Å; R548-V552 WeakPolarHBondContact O-CG2 3.47Å; R548-V552 PolarHBondContact O-N 3.36Å
549	T	93.9	Very high	92.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-69.4	-51.5	-173.7	-60	0	0	0	0	111.1	F512 E513 L516 E545 K553 F554	F512-T549 HydrophobicContact CD1-CG2 4.36Å; F512-T549 HydrophobicContact CE1-CG2 4.39Å; E513-T549 HydrophobicContact CB-CG2 3.88Å; E513-T549 HydrophobicContact CG-CG2 3.75Å; L516-T549 HydrophobicContact CD2-CG2 4.2Å; E545-T549 WeakPolarHBondContact O-CB 3.36Å; E545-T549 PolarHBondContact O-N 3.4Å; E545-T549 PolarHBondContact O-OG1 3.49Å; E545-T549 PolarHBondContact OE1-OG1 3.05Å; T549-K553 HydrophobicContact CG2-CD 4.45Å; T549-K553 VanDerWaalsContact O-CB 3.31Å; T549-K553 WeakPolarHBondContact O-CB 3.48Å; T549-K553 PolarHBondContact O-N 3.11Å; T549-F554 HydrophobicContact CG2-CD2 3.85Å; T549-F554 HydrophobicContact CG2-CE2 3.63Å; T549-F554 WeakPolarHBondContact O-CD2 3.29Å; T549-F554 PolarHBondContact O-N 3.38Å
550	A	95.4	Very high	92.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-69.7	-44.2	-177.2	0	0	0	0	0	113.5	L516 V546 G555 I556 T558	L516-A550 HydrophobicContact CD2-CB 3.96Å; V546-A550 WeakPolarHBondContact O-CB 3.24Å; V546-A550 PolarHBondContact O-N 2.93Å; A550-G555 CarbonylContact O-C 3.57Å; A550-G555 WeakPolarHBondContact O-CA 3.26Å; A550-G555 PolarHBondContact O-N 2.85Å; A550-I556 PolarHBondContact O-N 3.3Å; A550-T558 HydrophobicContact CB-CG2 3.37Å
551	D	92.7	Very high	93.5	Very high	40 Å²	40	37.5 Å²	37.5	21%	0.214	20%	0.195	C	C	.	.	I	π-helix	trans	-77.2	-38.7	-175.6	-55.7	-19	0	0	0	111.7	K547 R832 H836	K547-D551 WeakPolarHBondContact O-CB 3.18Å; K547-D551 PolarHBondContact O-N 3.2Å; D551-R832 IonicContact OD1-NH1 3.84Å; D551-R832 WeakPolarHBondContact OD2-CD 3.22Å; D551-R832 IonicContact OD2-CZ 3.03Å; D551-R832 IonicContact OD2-NE 2.74Å; D551-R832 IonicContact OD2-NH1 3.79Å; D551-R832 PolarHBondContact OD2-NH1 2.92Å; D551-H836 WeakPolarHBondContact CB-NE2 3.49Å; D551-H836 IonicContact OD2-CE1 3.3Å; D551-H836 IonicContact OD2-NE2 3.79Å; D551-H836 PolarHBondContact OD2-NE2 3.06Å
552	V	90.4	Very high	93.9	Very high	94 Å²	94	34.7 Å²	34.7	57%	0.57	19%	0.186	S	C	*	.	I	π-helix	trans	-94.6	-42.5	-171.6	-173.3	0	0	0	0	112.6	R548 H836	R548-V552 WeakPolarHBondContact O-CB 3.48Å; R548-V552 WeakPolarHBondContact O-CG2 3.47Å; R548-V552 PolarHBondContact O-N 3.36Å; V552-H836 HydrophobicContact CG2-CB 4.15Å
553	K	92	Very high	93.9	Very high	107 Å²	107	37.7 Å²	37.7	47%	0.465	20%	0.2	S	C	.	.	I	π-helix	trans	-87.1	-45.8	-176.3	-66.6	-174.6	163	-174.4	0	112.8	E513 T549	E513-K553 IonicContact OE1-NZ 3.3Å; E513-K553 PolarHBondContact OE1-NZ 3.28Å; E513-K553 IonicContact OE2-NZ 2.72Å; E513-K553 PolarHBondContact OE2-NZ 2.86Å; T549-K553 HydrophobicContact CG2-CD 4.45Å; T549-K553 VanDerWaalsContact O-CB 3.31Å; T549-K553 WeakPolarHBondContact O-CB 3.48Å; T549-K553 PolarHBondContact O-N 3.11Å
554	F	93.3	Very high	93.8	Very high	61 Å²	61	43.9 Å²	43.9	27%	0.268	22%	0.223	S	C	.	.	I	π-helix	trans	-103.5	-18	-171.5	-67.1	-85.4	0	0	0	114.2	E513 L516 E517 V520 T549 I556	E513-F554 HydrophobicContact CG-CE2 4.2Å; L516-F554 HydrophobicContact CD2-CB 4.32Å; L516-F554 HydrophobicContact CD2-CD2 3.61Å; L516-F554 HydrophobicContact CD2-CE2 4.16Å; L516-F554 HydrophobicContact CD2-CG 4.05Å; L516-F554 HydrophobicContact CG-CD2 4.19Å; L516-F554 HydrophobicContact CG-CE2 4.48Å; L516-F554 HydrophobicContact CG-CG 4.37Å; E517-F554 HydrophobicContact CB-CE1 4.15Å; E517-F554 HydrophobicContact CB-CZ 3.91Å; E517-F554 HydrophobicContact CG-CE1 4.43Å; E517-F554 HydrophobicContact CG-CZ 4.46Å; V520-F554 HydrophobicContact CG2-CD1 4.05Å; T549-F554 HydrophobicContact CG2-CD2 3.85Å; T549-F554 HydrophobicContact CG2-CE2 3.63Å; T549-F554 WeakPolarHBondContact O-CD2 3.29Å; T549-F554 PolarHBondContact O-N 3.38Å; F554-I556 VanDerWaalsContact C-N 3.28Å; F554-I556 HydrophobicContact CB-CD1 3.98Å; F554-I556 HydrophobicContact CB-CG1 4.07Å; F554-I556 PolarHBondContact O-N 2.83Å
555	G	92	Very high	94	Very high	63 Å²	63	45.3 Å²	45.3	65%	0.649	23%	0.231	S	C	*	.			trans	65	28.6	-176	0	0	0	0	0	113.9	A550	A550-G555 CarbonylContact O-C 3.57Å; A550-G555 WeakPolarHBondContact O-CA 3.26Å; A550-G555 PolarHBondContact O-N 2.85Å
556	I	93.4	Very high	94.1	Very high	17 Å²	17	44.5 Å²	44.5	9%	0.087	23%	0.227	C	C	.	.			trans	-103.6	130.2	-176.1	-64.6	174	0	0	0	110.7	L516 V520 V533 A550 F554 T558	L516-I556 HydrophobicContact CD1-CD1 4.46Å; V520-I556 HydrophobicContact CG2-CD1 3.19Å; V533-I556 HydrophobicContact CG2-CG2 3.81Å; A550-I556 PolarHBondContact O-N 3.3Å; F554-I556 VanDerWaalsContact C-N 3.28Å; F554-I556 HydrophobicContact CB-CD1 3.98Å; F554-I556 HydrophobicContact CB-CG1 4.07Å; F554-I556 PolarHBondContact O-N 2.83Å; I556-T558 PolarHBondContact O-N 3.38Å
557	M	95.8	Very high	94	Very high	86 Å²	86	49.9 Å²	49.9	42%	0.424	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	130.7	176.7	-67.2	-68	174.1	0	0	110.9	R531 L532 V533 K588 M589	R531-M557 WeakPolarHBondContact O-CB 3.18Å; L532-M557 CarbonylContact C-O 3.53Å; L532-M557 WeakPolarHBondContact CA-O 3.27Å; L532-M557 HydrophobicContact CD1-CB 4.34Å; V533-M557 PolarHBondContact N-O 3.32Å; M557-K588 HydrophobicContact SD-CB 4.39Å; M557-K588 HydrophobicContact SD-CG 4.44Å; M557-M589 HydrophobicContact CB-CE 3.68Å; M557-M589 HydrophobicContact CG-CE 3.83Å
558	T	97.6	Very high	94.1	Very high	1 Å²	1	51 Å²	51	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.2	178.3	47.8	0	0	0	0	112.7	V533 V535 V546 K547 A550 I556 K588	V533-T558 HydrophobicContact CB-CG2 4.21Å; V533-T558 CarbonylContact O-C 3.4Å; V533-T558 VanDerWaalsContact O-CA 3.24Å; V533-T558 WeakPolarHBondContact O-CA 3.3Å; V535-T558 HydrophobicContact CG2-CG2 4.13Å; V546-T558 HydrophobicContact CG1-CG2 4.17Å; K547-T558 PolarHBondContact NZ-O 3.37Å; K547-T558 PolarHBondContact NZ-OG1 3.02Å; A550-T558 HydrophobicContact CB-CG2 3.37Å; I556-T558 PolarHBondContact O-N 3.38Å; T558-K588 PolarHBondContact O-NZ 3.08Å
559	Q	97.4	Very high	94.2	Very high	6 Å²	6	49 Å²	49	3%	0.028	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	94.1	171.2	-178.1	48	59.1	0	0	110.7	L532 V533 F534 V535 L581 V585	L532-Q559 HydrophobicContact CD1-CB 4.07Å; V533-Q559 PolarHBondContact O-N 2.96Å; F534-Q559 WeakPolarHBondContact CA-O 3.38Å; F534-Q559 HydrophobicContact CD1-CB 3.81Å; F534-Q559 HydrophobicContact CD1-CG 3.89Å; F534-Q559 HydrophobicContact CE1-CB 3.87Å; F534-Q559 HydrophobicContact CE1-CG 3.67Å; V535-Q559 PolarHBondContact N-O 3.45Å; Q559-L581 HydrophobicContact CG-CD2 4.34Å; Q559-V585 HydrophobicContact CB-CG2 4.49Å; Q559-V585 HydrophobicContact CG-CG2 4.14Å
560	C	97.1	Very high	94.2	Very high	15 Å²	15	49.1 Å²	49.1	10%	0.101	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145.3	178.2	-46	0	0	0	0	111.9	V535 L537 Y543	V535-C560 CarbonylContact O-C 3.59Å; V535-C560 WeakPolarHBondContact O-CA 3.46Å; L537-C560 HydrophobicContact CD1-CB 3.85Å; L537-C560 HydrophobicContact CD2-CB 4.48Å; L537-C560 HydrophobicContact CG-CB 4.1Å; Y543-C560 HydrophobicContact CD2-CB 4.03Å; Y543-C560 HydrophobicContact CE2-CB 4.17Å
561	F	96	Very high	94.1	Very high	7 Å²	7	52.2 Å²	52.2	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	151.8	173.3	59.3	-83	0	0	0	110.3	V478 F481 F534 V535 A536 L537 V565 L566	V478-F561 HydrophobicContact CG1-CZ 4.24Å; V478-F561 HydrophobicContact CG2-CZ 4.45Å; F481-F561 AromaticContact CD1-CE1 3.93Å; F481-F561 HydrophobicContact CD1-CE1 3.93Å; F481-F561 HydrophobicContact CD1-CE2 4.13Å; F481-F561 AromaticContact CD1-CZ 3.68Å; F481-F561 HydrophobicContact CD1-CZ 3.68Å; F481-F561 HydrophobicContact CD2-CE2 4.34Å; F481-F561 AromaticContact CE1-CD1 3.65Å; F481-F561 HydrophobicContact CE1-CD1 3.65Å; F481-F561 HydrophobicContact CE1-CD2 4.31Å; F481-F561 AromaticContact CE1-CE1 3.44Å; F481-F561 HydrophobicContact CE1-CE1 3.44Å; F481-F561 VanDerWaalsContact CE1-CE1 3.44Å; F481-F561 HydrophobicContact CE1-CE2 4.1Å; F481-F561 HydrophobicContact CE1-CG 4.09Å; F481-F561 AromaticContact CE1-CZ 3.65Å; F481-F561 HydrophobicContact CE1-CZ 3.65Å; F481-F561 HydrophobicContact CE2-CD2 4.1Å; F481-F561 HydrophobicContact CE2-CE2 4.31Å; F481-F561 HydrophobicContact CE2-CG 4.24Å; F481-F561 HydrophobicContact CG-CE2 4.26Å; F481-F561 HydrophobicContact CG-CZ 4.23Å; F481-F561 HydrophobicContact CZ-CB 4.31Å; F481-F561 AromaticContact CZ-CD1 3.71Å; F481-F561 HydrophobicContact CZ-CD1 3.71Å; F481-F561 AromaticContact CZ-CD2 3.97Å; F481-F561 HydrophobicContact CZ-CD2 3.97Å; F481-F561 AromaticContact CZ-CE1 3.96Å; F481-F561 HydrophobicContact CZ-CE1 3.96Å; F481-F561 HydrophobicContact CZ-CE2 4.19Å; F481-F561 AromaticContact CZ-CG 3.72Å; F481-F561 HydrophobicContact CZ-CG 3.72Å; F481-F561 HydrophobicContact CZ-CZ 4.16Å; F534-F561 HydrophobicContact CB-CE1 4.04Å; F534-F561 HydrophobicContact CD1-CD1 4.45Å; F534-F561 HydrophobicContact CD1-CE1 4.36Å; V535-F561 PolarHBondContact O-N 2.94Å; A536-F561 HydrophobicContact CB-CD2 4.37Å; A536-F561 HydrophobicContact CB-CE1 4.16Å; A536-F561 HydrophobicContact CB-CE2 3.53Å; A536-F561 HydrophobicContact CB-CZ 3.42Å; A536-F561 VanDerWaalsContact CB-CZ 3.42Å; L537-F561 PolarHBondContact N-O 3.43Å; F561-V565 HydrophobicContact CB-CB 4.1Å; F561-V565 HydrophobicContact CB-CG1 3.97Å; F561-L566 HydrophobicContact CD2-CB 4.08Å; F561-L566 HydrophobicContact CE2-CB 3.92Å; F561-L566 HydrophobicContact CE2-CD1 4.07Å; F561-L566 HydrophobicContact CE2-CG 4.4Å
562	L	93.1	Very high	94.2	Very high	84 Å²	84	56.3 Å²	56.3	44%	0.44	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	163	178.6	-70.1	166.5	0	0	0	110.6	L537 R564 V565 L566	L537-L562 HydrophobicContact CB-CD2 4.08Å; L562-R564 PolarHBondContact O-N 3.08Å; L562-R564 VanDerWaalsContact O-N 3.12Å; L562-V565 WeakPolarHBondContact O-CA 3.17Å; L562-V565 WeakPolarHBondContact O-CB 3.14Å; L562-V565 PolarHBondContact O-N 3.41Å; L562-L566 PolarHBondContact O-N 2.92Å
563	Q	91.2	Very high	94.4	Very high	76 Å²	76	57.3 Å²	57.3	36%	0.355	28%	0.281	S	S	.	.	H	α-helix	trans	-50.8	-36.7	175.7	-63	-57.8	-37.1	0	0	113.8	L537 V565 L566 Y567	L537-Q563 PolarHBondContact O-NE2 2.86Å; Q563-V565 VanDerWaalsContact C-N 3.33Å; Q563-V565 PolarHBondContact O-N 3.49Å; Q563-L566 WeakPolarHBondContact O-CB 3.17Å; Q563-L566 PolarHBondContact O-N 2.96Å; Q563-Y567 WeakPolarHBondContact O-CB 3.22Å; Q563-Y567 PolarHBondContact O-N 2.88Å
564	R	91.9	Very high	94.6	Very high	191 Å²	191	53.9 Å²	53.9	72%	0.721	27%	0.271	S	S	*	.	H	α-helix	trans	-59.9	-42.5	173.7	176.3	179	169.5	163.5	0.6	112.6	L562 Y567 D568	L562-R564 PolarHBondContact O-N 3.08Å; L562-R564 VanDerWaalsContact O-N 3.12Å; R564-Y567 PolarHBondContact O-N 3.22Å; R564-D568 IonicContact NE-OD2 3.84Å; R564-D568 WeakPolarHBondContact O-CB 3.41Å; R564-D568 VanDerWaalsContact O-CG 3.24Å; R564-D568 PolarHBondContact O-N 2.94Å
565	V	95	Very high	94.5	Very high	38 Å²	38	57 Å²	57	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-72	-36.4	-179.2	177.6	0	0	0	0	110.3	F481 F561 L562 Q563 D568 V569 T577 L581	F481-V565 HydrophobicContact CE2-CG1 4.26Å; F561-V565 HydrophobicContact CB-CB 4.1Å; F561-V565 HydrophobicContact CB-CG1 3.97Å; L562-V565 WeakPolarHBondContact O-CA 3.17Å; L562-V565 WeakPolarHBondContact O-CB 3.14Å; L562-V565 PolarHBondContact O-N 3.41Å; Q563-V565 VanDerWaalsContact C-N 3.33Å; Q563-V565 PolarHBondContact O-N 3.49Å; V565-D568 PolarHBondContact O-N 2.93Å; V565-V569 WeakPolarHBondContact O-CG2 3.33Å; V565-V569 PolarHBondContact O-N 3.06Å; V565-V569 VanDerWaalsContact O-N 3.09Å; V565-T577 HydrophobicContact CG1-CG2 3.89Å; V565-L581 HydrophobicContact CG1-CD1 3.98Å
566	L	94.7	Very high	94.5	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-56	-52.2	170.6	177.4	56.2	0	0	0	110.4	Q477 V478 F481 F561 L562 Q563 D568 V569 A570	Q477-L566 HydrophobicContact CB-CD1 4.22Å; Q477-L566 HydrophobicContact CB-CD2 4.28Å; Q477-L566 HydrophobicContact CB-CG 4.46Å; Q477-L566 WeakPolarHBondContact O-CD1 3.5Å; V478-L566 HydrophobicContact CG2-CD1 4.39Å; V478-L566 HydrophobicContact CG2-CD2 4.05Å; F481-L566 HydrophobicContact CB-CD1 3.53Å; F481-L566 HydrophobicContact CD2-CD1 4.04Å; F481-L566 HydrophobicContact CG-CD1 3.97Å; F561-L566 HydrophobicContact CD2-CB 4.08Å; F561-L566 HydrophobicContact CE2-CB 3.92Å; F561-L566 HydrophobicContact CE2-CD1 4.07Å; F561-L566 HydrophobicContact CE2-CG 4.4Å; L562-L566 PolarHBondContact O-N 2.92Å; Q563-L566 WeakPolarHBondContact O-CB 3.17Å; Q563-L566 PolarHBondContact O-N 2.96Å; L566-D568 PolarHBondContact O-N 3.35Å; L566-V569 PolarHBondContact O-N 3.41Å; L566-A570 HydrophobicContact CD1-CB 4.13Å; L566-A570 WeakPolarHBondContact O-CB 3.4Å; L566-A570 PolarHBondContact O-N 3.43Å
567	Y	94.2	Very high	94.5	Very high	114 Å²	114	59.4 Å²	59.4	45%	0.447	29%	0.286	S	S	.	.	I	π-helix	trans	-60.2	-44.4	177.2	179.2	-101.6	0	0	0	112.7	Q563 R564 V569 V571 K572	Q563-Y567 WeakPolarHBondContact O-CB 3.22Å; Q563-Y567 PolarHBondContact O-N 2.88Å; R564-Y567 PolarHBondContact O-N 3.22Å; Y567-V569 VanDerWaalsContact C-N 3.28Å; Y567-V569 PolarHBondContact O-N 3.35Å; Y567-V571 HydrophobicContact CD2-CB 3.71Å; Y567-V571 HydrophobicContact CD2-CG1 4.02Å; Y567-V571 HydrophobicContact CD2-CG2 3.77Å; Y567-V571 HydrophobicContact CE2-CB 3.83Å; Y567-V571 HydrophobicContact CE2-CG1 3.6Å; Y567-V571 HydrophobicContact CE2-CG2 4.22Å; Y567-V571 HydrophobicContact CG-CB 4.39Å; Y567-V571 WeakPolarHBondContact O-CA 3.34Å; Y567-V571 WeakPolarHBondContact O-CB 3.46Å; Y567-V571 PolarHBondContact O-N 3.49Å; Y567-K572 HydrophobicContact CD1-CD 4.11Å; Y567-K572 HydrophobicContact CD1-CG 4.38Å; Y567-K572 HydrophobicContact CE1-CD 3.64Å; Y567-K572 HydrophobicContact CE1-CG 3.9Å; Y567-K572 PolarHBondContact O-N 2.86Å
568	D	96	Very high	94.5	Very high	28 Å²	28	55.3 Å²	55.3	15%	0.15	27%	0.266	C	S	.	.	I	π-helix	trans	-61.3	-34.9	179.6	-74.1	-19.9	0	0	0	112.4	R564 V565 L566 K572 H573 S574 T577	R564-D568 IonicContact NE-OD2 3.84Å; R564-D568 WeakPolarHBondContact O-CB 3.41Å; R564-D568 VanDerWaalsContact O-CG 3.24Å; R564-D568 PolarHBondContact O-N 2.94Å; V565-D568 PolarHBondContact O-N 2.93Å; L566-D568 PolarHBondContact O-N 3.35Å; D568-K572 CarbonylContact O-C 3.55Å; D568-K572 WeakPolarHBondContact O-CB 3.22Å; D568-H573 PolarHBondContact O-N 3.23Å; D568-S574 WeakPolarHBondContact O-CB 3.2Å; D568-S574 PolarHBondContact O-N 3.31Å; D568-T577 HydrophobicContact CB-CG2 4.31Å
569	V	96	Very high	94.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.271	C	S	.	.	I	π-helix	trans	-92.3	-50.4	-177	173.2	0	0	0	0	112.6	F481 T484 V485 V565 L566 Y567 H573 T577 A578 L581	F481-V569 HydrophobicContact CD2-CB 3.7Å; F481-V569 HydrophobicContact CD2-CG1 3.75Å; F481-V569 HydrophobicContact CD2-CG2 4.29Å; F481-V569 HydrophobicContact CE2-CB 3.93Å; F481-V569 HydrophobicContact CE2-CG1 4.12Å; F481-V569 HydrophobicContact CE2-CG2 3.99Å; T484-V569 HydrophobicContact CG2-CG1 3.75Å; V485-V569 HydrophobicContact CG2-CG1 4.13Å; V565-V569 WeakPolarHBondContact O-CG2 3.33Å; V565-V569 PolarHBondContact O-N 3.06Å; V565-V569 VanDerWaalsContact O-N 3.09Å; L566-V569 PolarHBondContact O-N 3.41Å; Y567-V569 VanDerWaalsContact C-N 3.28Å; Y567-V569 PolarHBondContact O-N 3.35Å; V569-H573 VanDerWaalsContact O-CA 3.28Å; V569-H573 WeakPolarHBondContact O-CA 3.24Å; V569-H573 PolarHBondContact O-N 2.98Å; V569-T577 HydrophobicContact CG2-CG2 3.63Å; V569-A578 HydrophobicContact CG1-CB 4.42Å; V569-A578 HydrophobicContact CG2-CB 4.45Å; V569-L581 HydrophobicContact CG2-CD1 4.21Å
570	A	93.4	Very high	94.3	Very high	2 Å²	2	58.5 Å²	58.5	2%	0.017	28%	0.284	C	S	.	.	I	π-helix	trans	-79.5	-33.4	-174.1	0	0	0	0	0	112.6	E480 F481 L566 H573	E480-A570 HydrophobicContact CG-CB 4.4Å; F481-A570 HydrophobicContact CB-CB 4.32Å; L566-A570 HydrophobicContact CD1-CB 4.13Å; L566-A570 WeakPolarHBondContact O-CB 3.4Å; L566-A570 PolarHBondContact O-N 3.43Å; A570-H573 PolarHBondContact O-CE1 3.08Å
571	V	92.4	Very high	94.2	Very high	65 Å²	65	58.3 Å²	58.3	39%	0.394	28%	0.282	S	S	.	.	I	π-helix	trans	-102.5	-44.8	-175.4	-174.5	0	0	0	0	112	Y567	Y567-V571 HydrophobicContact CD2-CB 3.71Å; Y567-V571 HydrophobicContact CD2-CG1 4.02Å; Y567-V571 HydrophobicContact CD2-CG2 3.77Å; Y567-V571 HydrophobicContact CE2-CB 3.83Å; Y567-V571 HydrophobicContact CE2-CG1 3.6Å; Y567-V571 HydrophobicContact CE2-CG2 4.22Å; Y567-V571 HydrophobicContact CG-CB 4.39Å; Y567-V571 WeakPolarHBondContact O-CA 3.34Å; Y567-V571 WeakPolarHBondContact O-CB 3.46Å; Y567-V571 PolarHBondContact O-N 3.49Å
572	K	95.4	Very high	94.3	Very high	125 Å²	125	58 Å²	58	54%	0.543	28%	0.28	S	S	.	.	S	Bend	trans	-87.6	-6	178.8	-75.1	-179.1	163.4	170.9	0	114	Y567 D568 S574	Y567-K572 HydrophobicContact CD1-CD 4.11Å; Y567-K572 HydrophobicContact CD1-CG 4.38Å; Y567-K572 HydrophobicContact CE1-CD 3.64Å; Y567-K572 HydrophobicContact CE1-CG 3.9Å; Y567-K572 PolarHBondContact O-N 2.86Å; D568-K572 CarbonylContact O-C 3.55Å; D568-K572 WeakPolarHBondContact O-CB 3.22Å; K572-S574 PolarHBondContact O-N 3.34Å; K572-S574 VanDerWaalsContact O-N 3.14Å
573	H	94.6	Very high	94.4	Very high	115 Å²	115	54 Å²	54	53%	0.532	26%	0.26	S	S	.	.			trans	49.4	39.2	-176.9	-53.8	-62.6	0	0	0	113.5	E480 D568 V569 A570 I575	E480-H573 IonicContact OE1-CE1 3.08Å; D568-H573 PolarHBondContact O-N 3.23Å; V569-H573 VanDerWaalsContact O-CA 3.28Å; V569-H573 WeakPolarHBondContact O-CA 3.24Å; V569-H573 PolarHBondContact O-N 2.98Å; A570-H573 PolarHBondContact O-CE1 3.08Å; H573-I575 PolarHBondContact O-N 3.2Å
574	S	95.3	Very high	94.7	Very high	36 Å²	36	53.2 Å²	53.2	25%	0.252	26%	0.255	S	S	.	.			trans	-68.5	97.8	179.8	177.6	0	0	0	0	111.2	D568 K572 M576 T577 A578	D568-S574 WeakPolarHBondContact O-CB 3.2Å; D568-S574 PolarHBondContact O-N 3.31Å; K572-S574 PolarHBondContact O-N 3.34Å; K572-S574 VanDerWaalsContact O-N 3.14Å; S574-M576 VanDerWaalsContact C-N 3.28Å; S574-M576 PolarHBondContact O-N 2.99Å; S574-T577 PolarHBondContact O-N 3.04Å; S574-T577 VanDerWaalsContact O-N 3.14Å; S574-T577 WeakPolarHBondContact OG-CB 3.31Å; S574-T577 PolarHBondContact OG-N 3.48Å; S574-T577 PolarHBondContact OG-OG1 2.63Å; S574-A578 PolarHBondContact O-N 2.86Å; S574-A578 VanDerWaalsContact O-N 3.11Å
575	I	91.8	Very high	94.9	Very high	125 Å²	125	44.1 Å²	44.1	64%	0.641	22%	0.221	S	C	*	.	H	α-helix	trans	-56	-44.4	176.1	-61	173.7	0	0	0	110.3	H573 T577 A578 T579	H573-I575 PolarHBondContact O-N 3.2Å; I575-T577 VanDerWaalsContact C-N 3.29Å; I575-T577 PolarHBondContact O-N 2.94Å; I575-A578 CarbonylContact O-C 3.34Å; I575-A578 PolarHBondContact O-N 3.31Å; I575-A578 VanDerWaalsContact O-N 3.1Å; I575-T579 PolarHBondContact O-N 2.92Å; I575-T579 PolarHBondContact O-OG1 3.42Å
576	M	91.8	Very high	95	Very high	101 Å²	101	42.3 Å²	42.3	50%	0.498	21%	0.21	S	C	.	.	H	α-helix	trans	-59.8	-38.1	179.8	-177.3	58.4	62.7	0	0	112.7	S574 N580 M814	S574-M576 VanDerWaalsContact C-N 3.28Å; S574-M576 PolarHBondContact O-N 2.99Å; M576-N580 WeakPolarHBondContact O-CB 3.37Å; M576-N580 PolarHBondContact O-N 2.77Å; M576-N580 PolarHBondContact O-ND2 3.04Å; M576-M814 HydrophobicContact CE-CE 4.39Å; M576-M814 HydrophobicContact SD-CE 3.91Å
577	T	94.8	Very high	95.1	Very high	30 Å²	30	45 Å²	45	18%	0.184	22%	0.223	C	C	.	.	H	α-helix	trans	-67.9	-43.4	176.4	-56.9	0	0	0	0	110.4	V565 D568 V569 S574 I575 N580 L581	V565-T577 HydrophobicContact CG1-CG2 3.89Å; D568-T577 HydrophobicContact CB-CG2 4.31Å; V569-T577 HydrophobicContact CG2-CG2 3.63Å; S574-T577 PolarHBondContact O-N 3.04Å; S574-T577 VanDerWaalsContact O-N 3.14Å; S574-T577 WeakPolarHBondContact OG-CB 3.31Å; S574-T577 PolarHBondContact OG-N 3.48Å; S574-T577 PolarHBondContact OG-OG1 2.63Å; I575-T577 VanDerWaalsContact C-N 3.29Å; I575-T577 PolarHBondContact O-N 2.94Å; T577-N580 PolarHBondContact O-N 3.38Å; T577-L581 WeakPolarHBondContact O-CG 3.4Å; T577-L581 PolarHBondContact O-N 3.03Å; T577-L581 VanDerWaalsContact O-N 3.08Å
578	A	95.6	Very high	95.1	Very high	1 Å²	1	42 Å²	42	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-43	176.1	0	0	0	0	0	112.4	V488 V569 S574 I575 N580 L581 A582	V488-A578 HydrophobicContact CB-CB 4.33Å; V488-A578 HydrophobicContact CG1-CB 4.43Å; V488-A578 HydrophobicContact CG2-CB 3.88Å; V569-A578 HydrophobicContact CG1-CB 4.42Å; V569-A578 HydrophobicContact CG2-CB 4.45Å; S574-A578 PolarHBondContact O-N 2.86Å; S574-A578 VanDerWaalsContact O-N 3.11Å; I575-A578 CarbonylContact O-C 3.34Å; I575-A578 PolarHBondContact O-N 3.31Å; I575-A578 VanDerWaalsContact O-N 3.1Å; A578-N580 PolarHBondContact O-N 3.02Å; A578-L581 WeakPolarHBondContact O-CA 3.35Å; A578-L581 WeakPolarHBondContact O-CB 3.33Å; A578-L581 PolarHBondContact O-N 3.15Å; A578-L581 VanDerWaalsContact O-N 3.11Å; A578-A582 PolarHBondContact O-N 2.92Å
579	T	95.1	Very high	95	Very high	18 Å²	18	41.6 Å²	41.6	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-43.3	174.8	-57	0	0	0	0	111.6	L492 I575 L581 A582 L583 M814	L492-T579 HydrophobicContact CD1-CG2 4.12Å; I575-T579 PolarHBondContact O-N 2.92Å; I575-T579 PolarHBondContact O-OG1 3.42Å; T579-L581 VanDerWaalsContact C-N 3.26Å; T579-L581 PolarHBondContact O-N 3.1Å; T579-A582 WeakPolarHBondContact O-CB 3.47Å; T579-A582 PolarHBondContact O-N 2.87Å; T579-L583 WeakPolarHBondContact O-CG 3.49Å; T579-L583 PolarHBondContact O-N 3.3Å; T579-M814 HydrophobicContact CG2-CE 4.02Å
580	N	94.6	Very high	94.8	Very high	55 Å²	55	43.4 Å²	43.4	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-66.3	-28	176.3	-75.3	-49.5	0	0	0	113.1	M576 T577 A578	M576-N580 WeakPolarHBondContact O-CB 3.37Å; M576-N580 PolarHBondContact O-N 2.77Å; M576-N580 PolarHBondContact O-ND2 3.04Å; T577-N580 PolarHBondContact O-N 3.38Å; A578-N580 PolarHBondContact O-N 3.02Å
581	L	96.2	Very high	94.9	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-71.9	-46.2	169.8	-72.2	165.7	0	0	0	110.9	F481 V485 Q559 V565 V569 T577 A578 T579 L583 K584 V585	F481-L581 HydrophobicContact CE2-CD1 3.77Å; F481-L581 HydrophobicContact CZ-CD1 3.6Å; V485-L581 HydrophobicContact CG1-CB 4.33Å; V485-L581 HydrophobicContact CG2-CD1 3.99Å; Q559-L581 HydrophobicContact CG-CD2 4.34Å; V565-L581 HydrophobicContact CG1-CD1 3.98Å; V569-L581 HydrophobicContact CG2-CD1 4.21Å; T577-L581 WeakPolarHBondContact O-CG 3.4Å; T577-L581 PolarHBondContact O-N 3.03Å; T577-L581 VanDerWaalsContact O-N 3.08Å; A578-L581 WeakPolarHBondContact O-CA 3.35Å; A578-L581 WeakPolarHBondContact O-CB 3.33Å; A578-L581 PolarHBondContact O-N 3.15Å; A578-L581 VanDerWaalsContact O-N 3.11Å; T579-L581 VanDerWaalsContact C-N 3.26Å; T579-L581 PolarHBondContact O-N 3.1Å; L581-L583 VanDerWaalsContact C-N 3.3Å; L581-L583 PolarHBondContact O-N 3.07Å; L581-K584 WeakPolarHBondContact O-CB 3.45Å; L581-K584 PolarHBondContact O-N 3.16Å; L581-V585 WeakPolarHBondContact O-CG2 3.49Å; L581-V585 PolarHBondContact O-N 2.82Å
582	A	96.8	Very high	95.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.5	-42.7	177.9	0	0	0	0	0	111.9	F455 V488 L492 A578 T579 K584 V585 N586	F455-A582 HydrophobicContact CZ-CB 4.21Å; V488-A582 HydrophobicContact CG1-CB 4.12Å; L492-A582 HydrophobicContact CD1-CB 3.87Å; A578-A582 PolarHBondContact O-N 2.92Å; T579-A582 WeakPolarHBondContact O-CB 3.47Å; T579-A582 PolarHBondContact O-N 2.87Å; A582-K584 PolarHBondContact O-N 3.07Å; A582-V585 PolarHBondContact O-N 3.4Å; A582-V585 VanDerWaalsContact O-N 3.12Å; A582-N586 WeakPolarHBondContact O-CB 3.41Å; A582-N586 PolarHBondContact O-N 2.98Å
583	L	96.5	Very high	95.1	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-49.1	-45.7	171.7	-78.8	175.3	0	0	0	112.7	M450 F455 T579 L581 M587 N593 M814	M450-L583 HydrophobicContact CE-CD2 3.41Å; M450-L583 VanDerWaalsContact CE-CD2 3.41Å; M450-L583 HydrophobicContact CE-CG 4.39Å; F455-L583 HydrophobicContact CE1-CD2 3.74Å; F455-L583 HydrophobicContact CE1-CG 4.46Å; F455-L583 HydrophobicContact CZ-CD2 4.35Å; T579-L583 WeakPolarHBondContact O-CG 3.49Å; T579-L583 PolarHBondContact O-N 3.3Å; L581-L583 VanDerWaalsContact C-N 3.3Å; L581-L583 PolarHBondContact O-N 3.07Å; L583-M587 WeakPolarHBondContact O-CG 3.47Å; L583-M587 PolarHBondContact O-N 2.76Å; L583-N593 HydrophobicContact CD2-CB 4.07Å; L583-N593 VanDerWaalsContact CD2-ND2 3.29Å; L583-N593 WeakPolarHBondContact CD2-ND2 3.36Å; L583-N593 PolarHBondContact O-ND2 2.63Å; L583-M814 HydrophobicContact CD1-CG 4.3Å
584	K	95.9	Very high	95.1	Very high	58 Å²	58	30.2 Å²	30.2	25%	0.252	17%	0.168	S	C	.	.	H	α-helix	trans	-76.8	-35.6	-178	-64.5	167.9	69.4	174.9	0	111.7	L581 A582 K588 R812	L581-K584 WeakPolarHBondContact O-CB 3.45Å; L581-K584 PolarHBondContact O-N 3.16Å; A582-K584 PolarHBondContact O-N 3.07Å; K584-K588 VanDerWaalsContact O-CG 3.32Å; K584-K588 WeakPolarHBondContact O-CG 3.48Å; K584-K588 PolarHBondContact O-N 3.05Å; K584-R812 HydrophobicContact CG-CB 4.38Å; K584-R812 HydrophobicContact CG-CG 4.22Å
585	V	97.4	Very high	95.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-66.1	-47.6	177.6	172.7	0	0	0	0	109.7	M494 L532 F534 Q559 L581 A582 M587 K588 M589	M494-V585 HydrophobicContact CE-CG1 4Å; M494-V585 HydrophobicContact SD-CG1 4.34Å; L532-V585 HydrophobicContact CD2-CG1 3.84Å; L532-V585 HydrophobicContact CD2-CG2 4.31Å; F534-V585 HydrophobicContact CE1-CG2 4.2Å; F534-V585 HydrophobicContact CZ-CG2 4.05Å; Q559-V585 HydrophobicContact CB-CG2 4.49Å; Q559-V585 HydrophobicContact CG-CG2 4.14Å; L581-V585 WeakPolarHBondContact O-CG2 3.49Å; L581-V585 PolarHBondContact O-N 2.82Å; A582-V585 PolarHBondContact O-N 3.4Å; A582-V585 VanDerWaalsContact O-N 3.12Å; V585-M587 PolarHBondContact O-N 3.05Å; V585-K588 WeakPolarHBondContact O-CB 3.47Å; V585-K588 PolarHBondContact O-N 3.41Å; V585-K588 VanDerWaalsContact O-N 3.08Å; V585-M589 HydrophobicContact CG1-CG 4.29Å; V585-M589 WeakPolarHBondContact O-CG 3.37Å; V585-M589 PolarHBondContact O-N 3.48Å
586	N	97.4	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.8	-49.6	179.6	-165.7	44.3	0	0	0	112.7	F455 Q457 G458 G459 M494 A582 K588 M589 G590 G591 N593	F455-N586 HydrophobicContact CD2-CB 3.79Å; F455-N586 VanDerWaalsContact CD2-CG 3.4Å; F455-N586 VanDerWaalsContact CD2-ND2 3.33Å; F455-N586 WeakPolarHBondContact CD2-ND2 3.39Å; F455-N586 HydrophobicContact CE2-CB 3.6Å; F455-N586 WeakPolarHBondContact CG-ND2 3.35Å; F455-N586 HydrophobicContact CZ-CB 4.21Å; Q457-N586 PolarHBondContact O-ND2 3.03Å; Q457-N586 VanDerWaalsContact O-ND2 3.08Å; G458-N586 WeakPolarHBondContact CA-OD1 3.45Å; G459-N586 PolarHBondContact N-OD1 3.5Å; M494-N586 HydrophobicContact CE-CB 4.06Å; M494-N586 HydrophobicContact CG-CB 4.23Å; M494-N586 WeakPolarHBondContact CG-OD1 3.3Å; M494-N586 VanDerWaalsContact SD-CA 3.58Å; M494-N586 HydrophobicContact SD-CB 3.5Å; M494-N586 VanDerWaalsContact SD-CB 3.5Å; A582-N586 WeakPolarHBondContact O-CB 3.41Å; A582-N586 PolarHBondContact O-N 2.98Å; N586-K588 VanDerWaalsContact C-N 3.3Å; N586-K588 PolarHBondContact O-N 3.21Å; N586-M589 CarbonylContact O-C 3.42Å; N586-M589 PolarHBondContact O-N 3.04Å; N586-M589 VanDerWaalsContact O-N 3.08Å; N586-G590 PolarHBondContact O-N 3.17Å; N586-G591 WeakPolarHBondContact O-CA 3.29Å; N586-G591 PolarHBondContact O-N 3.46Å; N586-N593 VanDerWaalsContact CB-OD1 3.25Å; N586-N593 WeakPolarHBondContact CB-OD1 3.37Å; N586-N593 PolarHBondContact ND2-OD1 2.61Å
587	M	95	Very high	95.6	Very high	59 Å²	59	22 Å²	22	29%	0.291	12%	0.12	S	C	.	.	H	α-helix	trans	-59.9	-38.6	177.4	-69	-175.5	78.2	0	0	112.9	L583 V585 M589 G590 G811 R812 F825	L583-M587 WeakPolarHBondContact O-CG 3.47Å; L583-M587 PolarHBondContact O-N 2.76Å; V585-M587 PolarHBondContact O-N 3.05Å; M587-M589 VanDerWaalsContact C-N 3.28Å; M587-M589 PolarHBondContact O-N 2.78Å; M587-G590 PolarHBondContact O-N 2.95Å; M587-G811 VanDerWaalsContact SD-CA 3.56Å; M587-R812 HydrophobicContact SD-CG 4.17Å; M587-F825 HydrophobicContact CE-CE1 4.36Å; M587-F825 HydrophobicContact CE-CZ 4.14Å
588	K	94.4	Very high	95.6	Very high	50 Å²	50	22.4 Å²	22.4	22%	0.217	12%	0.123	C	C	.	.	H	α-helix	trans	-68.1	-30.5	177.5	-75	170.2	173.4	175.4	0	112.7	M557 T558 K584 V585 N586 G590	M557-K588 HydrophobicContact SD-CB 4.39Å; M557-K588 HydrophobicContact SD-CG 4.44Å; T558-K588 PolarHBondContact O-NZ 3.08Å; K584-K588 VanDerWaalsContact O-CG 3.32Å; K584-K588 WeakPolarHBondContact O-CG 3.48Å; K584-K588 PolarHBondContact O-N 3.05Å; V585-K588 WeakPolarHBondContact O-CB 3.47Å; V585-K588 PolarHBondContact O-N 3.41Å; V585-K588 VanDerWaalsContact O-N 3.08Å; N586-K588 VanDerWaalsContact C-N 3.3Å; N586-K588 PolarHBondContact O-N 3.21Å; K588-G590 PolarHBondContact O-N 3.35Å
589	M	95.1	Very high	95.6	Very high	20 Å²	20	24.2 Å²	24.2	10%	0.099	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	13.5	177.6	-58.8	-60.7	99.7	0	0	112.3	C461 M494 R531 L532 M557 V585 N586 M587 G591	C461-M589 HydrophobicContact CB-CG 3.93Å; C461-M589 HydrophobicContact CB-SD 3.78Å; M494-M589 HydrophobicContact CE-CB 4.13Å; M494-M589 HydrophobicContact CE-CG 4.11Å; R531-M589 HydrophobicContact CB-SD 4.06Å; L532-M589 HydrophobicContact CB-CE 4.22Å; L532-M589 HydrophobicContact CB-SD 4.34Å; L532-M589 HydrophobicContact CD1-CE 4.27Å; M557-M589 HydrophobicContact CB-CE 3.68Å; M557-M589 HydrophobicContact CG-CE 3.83Å; V585-M589 HydrophobicContact CG1-CG 4.29Å; V585-M589 WeakPolarHBondContact O-CG 3.37Å; V585-M589 PolarHBondContact O-N 3.48Å; N586-M589 CarbonylContact O-C 3.42Å; N586-M589 PolarHBondContact O-N 3.04Å; N586-M589 VanDerWaalsContact O-N 3.08Å; M587-M589 VanDerWaalsContact C-N 3.28Å; M587-M589 PolarHBondContact O-N 2.78Å; M589-G591 VanDerWaalsContact C-N 3.28Å; M589-G591 PolarHBondContact O-N 2.89Å
590	G	91.9	Very high	95.7	Very high	38 Å²	38	28.7 Å²	28.7	39%	0.392	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	4.6	177.1	0	0	0	0	0	115.1	N586 M587 K588 K644	N586-G590 PolarHBondContact O-N 3.17Å; M587-G590 PolarHBondContact O-N 2.95Å; K588-G590 PolarHBondContact O-N 3.35Å; G590-K644 WeakPolarHBondContact O-CE 3.34Å; G590-K644 PolarHBondContact O-NZ 3.44Å
591	G	95.5	Very high	95.8	Very high	7 Å²	7	28.5 Å²	28.5	7%	0.072	16%	0.159	C	C	.	.			trans	-73.4	163.4	174.5	0	0	0	0	0	112.9	Q457 N586 M589	Q457-G591 CarbonylContact O-C 3.57Å; Q457-G591 WeakPolarHBondContact O-CA 3.46Å; N586-G591 WeakPolarHBondContact O-CA 3.29Å; N586-G591 PolarHBondContact O-N 3.46Å; M589-G591 VanDerWaalsContact C-N 3.28Å; M589-G591 PolarHBondContact O-N 2.89Å
592	V	95.7	Very high	95.9	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.042	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-117.2	116.3	177.6	178.6	0	0	0	0	108.2	F456 Q457 T594 T643 K644	F456-V592 HydrophobicContact CB-CG1 4.27Å; F456-V592 HydrophobicContact CD1-CB 4.11Å; F456-V592 HydrophobicContact CD1-CG1 3.91Å; F456-V592 HydrophobicContact CG-CG1 4.49Å; F456-V592 PolarHBondContact N-O 2.89Å; Q457-V592 HydrophobicContact CB-CB 3.9Å; Q457-V592 HydrophobicContact CB-CG2 4.25Å; Q457-V592 PolarHBondContact N-O 3.45Å; Q457-V592 PolarHBondContact O-N 3.33Å; Q457-V592 VanDerWaalsContact O-O 3.14Å; V592-T594 WeakPolarHBondContact CG1-O 3.26Å; V592-T643 HydrophobicContact CG1-CG2 3.86Å; V592-K644 HydrophobicContact CG2-CD 4.36Å; V592-K644 HydrophobicContact CG2-CG 4.13Å
593	N	95.5	Very high	95.9	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.027	18%	0.177	C	C	.	.	S	Bend	trans	-68.6	-47	-179.1	-66.2	-14.2	0	0	0	111.2	Y432 F455 F456 L583 N586 G811	Y432-N593 VanDerWaalsContact CD1-O 3.32Å; Y432-N593 WeakPolarHBondContact CD1-O 3.39Å; Y432-N593 WeakPolarHBondContact CE1-O 3.37Å; F455-N593 WeakPolarHBondContact CA-O 3.44Å; F455-N593 HydrophobicContact CD1-CB 3.95Å; F455-N593 HydrophobicContact CE1-CB 4.31Å; F456-N593 PolarHBondContact N-O 2.87Å; L583-N593 HydrophobicContact CD2-CB 4.07Å; L583-N593 VanDerWaalsContact CD2-ND2 3.29Å; L583-N593 WeakPolarHBondContact CD2-ND2 3.36Å; L583-N593 PolarHBondContact O-ND2 2.63Å; N586-N593 VanDerWaalsContact CB-OD1 3.25Å; N586-N593 WeakPolarHBondContact CB-OD1 3.37Å; N586-N593 PolarHBondContact ND2-OD1 2.61Å; N593-G811 PolarHBondContact ND2-O 3.26Å
594	T	95	Very high	95.9	Very high	11 Å²	11	34.9 Å²	34.9	7%	0.067	20%	0.196	C	C	.	.			trans	-155	158.3	-179.2	-173.5	0	0	0	0	109.4	E431 Y432 V592	E431-T594 WeakPolarHBondContact O-CA 3.35Å; E431-T594 PolarHBondContact O-OG1 3.05Å; Y432-T594 WeakPolarHBondContact CE2-OG1 3.24Å; Y432-T594 VanDerWaalsContact CZ-CB 3.43Å; V592-T594 WeakPolarHBondContact CG1-O 3.26Å
595	R	94.8	Very high	96	Very high	49 Å²	49	33.2 Å²	33.2	19%	0.185	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160.7	168.4	71.4	172.2	-176	-175	-3.2	110.5	E431 F456 D641 T643	E431-R595 HydrophobicContact CB-CG 3.85Å; E431-R595 VanDerWaalsContact CD-NH2 3.34Å; E431-R595 PolarHBondContact N-O 2.97Å; E431-R595 PolarHBondContact O-N 2.71Å; E431-R595 IonicContact OE1-NH2 3.07Å; E431-R595 PolarHBondContact OE1-NH2 3.3Å; E431-R595 IonicContact OE2-CZ 2.9Å; E431-R595 IonicContact OE2-NE 3.74Å; E431-R595 PolarHBondContact OE2-NE 2.67Å; E431-R595 IonicContact OE2-NH2 3.49Å; E431-R595 PolarHBondContact OE2-NH2 3.05Å; F456-R595 HydrophobicContact CD1-CG 4.48Å; F456-R595 HydrophobicContact CD2-CG 4.1Å; F456-R595 HydrophobicContact CE1-CG 4.47Å; F456-R595 HydrophobicContact CE2-CG 4.09Å; F456-R595 VanDerWaalsContact CE2-NE 3.3Å; F456-R595 HydrophobicContact CG-CG 4.31Å; F456-R595 HydrophobicContact CZ-CG 4.29Å; F456-R595 VanDerWaalsContact CZ-NE 3.32Å; R595-D641 IonicContact CZ-OD2 3.46Å; R595-D641 IonicContact NH1-OD2 3.39Å; R595-D641 PolarHBondContact NH1-OD2 2.77Å; R595-T643 HydrophobicContact CB-CG2 3.51Å
596	L	97	Very high	95.9	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	137.9	168.1	-60.9	173.3	0	0	0	108.5	P428 L430 V602 L606 Y805 V809	P428-L596 HydrophobicContact CB-CD2 3.62Å; P428-L596 HydrophobicContact CG-CD2 3.75Å; L430-L596 HydrophobicContact CD2-CD2 4.03Å; L596-V602 HydrophobicContact CB-CG1 4.35Å; L596-V602 HydrophobicContact CB-CG2 4.24Å; L596-L606 HydrophobicContact CD1-CD1 4.15Å; L596-Y805 HydrophobicContact CD1-CD2 4.49Å; L596-V809 HydrophobicContact CD1-CG1 4.11Å; L596-V809 HydrophobicContact CD2-CG1 3.8Å; L596-V809 HydrophobicContact CG-CG1 3.61Å
597	L	96.8	Very high	95.8	Very high	33 Å²	33	34 Å²	34	17%	0.173	20%	0.195	C	C	.	.			trans	-59.6	130.7	171.1	-174.5	74.5	0	0	0	108.2	K429 E431 I440 D599 V602	K429-L597 HydrophobicContact CB-CB 3.81Å; K429-L597 HydrophobicContact CB-CD2 3.75Å; K429-L597 HydrophobicContact CB-CG 4.41Å; K429-L597 HydrophobicContact CD-CD2 3.88Å; K429-L597 HydrophobicContact CG-CD2 4.34Å; K429-L597 WeakPolarHBondContact O-CB 3.5Å; K429-L597 PolarHBondContact O-N 2.8Å; E431-L597 HydrophobicContact CB-CD1 4.49Å; I440-L597 HydrophobicContact CD1-CD1 3.93Å; I440-L597 HydrophobicContact CD1-CD2 4.16Å; I440-L597 HydrophobicContact CG1-CD1 4.08Å; L597-D599 PolarHBondContact O-N 2.81Å; L597-V602 WeakPolarHBondContact O-CG2 3.19Å
598	P	95.4	Very high	95.8	Very high	38 Å²	38	36.5 Å²	36.5	25%	0.247	21%	0.209	C	C	.	.			trans	-78	64.3	-179.6	33.7	-36.2	0	0	0	110.5	K603	P598-K603 HydrophobicContact CB-CG 4.28Å; P598-K603 WeakPolarHBondContact O-CE 3.31Å
599	D	95.8	Very high	95.8	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.203	22%	0.217	C	C	.	.			trans	-72.2	171.4	172.4	71.7	27.9	0	0	0	111.1	L597 F601 V602 K603	L597-D599 PolarHBondContact O-N 2.81Å; D599-F601 PolarHBondContact O-N 2.65Å; D599-F601 WeakPolarHBondContact OD1-CA 3.48Å; D599-F601 WeakPolarHBondContact OD1-CB 3.41Å; D599-F601 PolarHBondContact OD1-N 3.47Å; D599-V602 PolarHBondContact O-N 2.79Å; D599-V602 WeakPolarHBondContact OD1-CG2 3.49Å; D599-V602 PolarHBondContact OD1-N 2.85Å; D599-K603 WeakPolarHBondContact O-CB 3.46Å; D599-K603 WeakPolarHBondContact O-CG 3.39Å; D599-K603 PolarHBondContact O-N 2.84Å
600	P	97.5	Very high	95.8	Very high	112 Å²	112	38.8 Å²	38.8	73%	0.727	22%	0.22	S	C	*	.	H	α-helix	trans	-55.8	-34.2	-178.9	-28.3	36.9	0	0	0	114.3	A604	P600-A604 VanDerWaalsContact O-CB 3.24Å; P600-A604 WeakPolarHBondContact O-CB 3.21Å; P600-A604 PolarHBondContact O-N 3.26Å
601	F	97.1	Very high	96.1	Very high	52 Å²	52	37 Å²	37	23%	0.228	20%	0.201	C	C	.	.	H	α-helix	trans	-70.5	-50.1	179.5	175.8	-89.6	0	0	0	111.2	D599 K603 A604 N605 T798 A801 I802 Y805	D599-F601 PolarHBondContact O-N 2.65Å; D599-F601 WeakPolarHBondContact OD1-CA 3.48Å; D599-F601 WeakPolarHBondContact OD1-CB 3.41Å; D599-F601 PolarHBondContact OD1-N 3.47Å; F601-K603 VanDerWaalsContact C-N 3.28Å; F601-K603 PolarHBondContact O-N 3.32Å; F601-A604 PolarHBondContact O-N 3.06Å; F601-N605 WeakPolarHBondContact CD2-ND2 3.46Å; F601-N605 WeakPolarHBondContact CE2-ND2 3.41Å; F601-N605 WeakPolarHBondContact O-CB 3.46Å; F601-N605 PolarHBondContact O-N 3.15Å; F601-N605 VanDerWaalsContact O-N 3.1Å; F601-N605 PolarHBondContact O-ND2 3.48Å; F601-N605 VanDerWaalsContact O-ND2 3.08Å; F601-T798 HydrophobicContact CE2-CG2 4.31Å; F601-T798 HydrophobicContact CZ-CG2 4.29Å; F601-A801 HydrophobicContact CE1-CB 3.84Å; F601-A801 HydrophobicContact CE2-CB 4Å; F601-A801 HydrophobicContact CZ-CB 3.4Å; F601-A801 VanDerWaalsContact CZ-CB 3.4Å; F601-I802 HydrophobicContact CE1-CG1 4.15Å; F601-I802 HydrophobicContact CZ-CG1 4Å; F601-Y805 HydrophobicContact CD1-CD2 4.15Å; F601-Y805 AromaticContact CD1-CE2 3.76Å; F601-Y805 HydrophobicContact CD1-CE2 3.76Å; F601-Y805 HydrophobicContact CE1-CD2 4.21Å; F601-Y805 HydrophobicContact CE1-CE2 4.17Å
602	V	97.4	Very high	96.3	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-42.5	177.7	171.8	0	0	0	0	110	L596 L597 D599 L606 T607 Y805	L596-V602 HydrophobicContact CB-CG1 4.35Å; L596-V602 HydrophobicContact CB-CG2 4.24Å; L597-V602 WeakPolarHBondContact O-CG2 3.19Å; D599-V602 PolarHBondContact O-N 2.79Å; D599-V602 WeakPolarHBondContact OD1-CG2 3.49Å; D599-V602 PolarHBondContact OD1-N 2.85Å; V602-L606 HydrophobicContact CG1-CD1 4.4Å; V602-L606 WeakPolarHBondContact O-CA 3.14Å; V602-L606 VanDerWaalsContact O-CB 3.31Å; V602-L606 WeakPolarHBondContact O-CB 3.48Å; V602-L606 PolarHBondContact O-N 2.69Å; V602-T607 HydrophobicContact CG1-CG2 4.31Å; V602-T607 PolarHBondContact O-N 2.91Å; V602-Y805 HydrophobicContact CG2-CD2 3.91Å; V602-Y805 HydrophobicContact CG2-CE2 3.96Å
603	K	97.4	Very high	96.4	Very high	91 Å²	91	36.3 Å²	36.3	40%	0.396	20%	0.196	S	C	.	.	I	π-helix	trans	-60.7	-56.5	177	-78.5	-179.5	173	178.3	0	112.8	P598 D599 F601 N605 T607 D608	P598-K603 HydrophobicContact CB-CG 4.28Å; P598-K603 WeakPolarHBondContact O-CE 3.31Å; D599-K603 WeakPolarHBondContact O-CB 3.46Å; D599-K603 WeakPolarHBondContact O-CG 3.39Å; D599-K603 PolarHBondContact O-N 2.84Å; F601-K603 VanDerWaalsContact C-N 3.28Å; F601-K603 PolarHBondContact O-N 3.32Å; K603-N605 PolarHBondContact O-N 2.97Å; K603-T607 WeakPolarHBondContact CA-OG1 3.47Å; K603-D608 VanDerWaalsContact O-CB 3.26Å; K603-D608 WeakPolarHBondContact O-CB 3.4Å; K603-D608 PolarHBondContact O-N 3.11Å
604	A	96.6	Very high	96.6	Very high	51 Å²	51	36 Å²	36	42%	0.421	19%	0.194	S	C	.	.	I	π-helix	trans	-64.4	-25.5	-175.4	0	0	0	0	0	113.7	P600 F601 K609	P600-A604 VanDerWaalsContact O-CB 3.24Å; P600-A604 WeakPolarHBondContact O-CB 3.21Å; P600-A604 PolarHBondContact O-N 3.26Å; F601-A604 PolarHBondContact O-N 3.06Å; A604-K609 WeakPolarHBondContact O-CE 3.46Å; A604-K609 WeakPolarHBondContact O-CG 3.04Å
605	N	96.4	Very high	96.7	Very high	22 Å²	22	35.5 Å²	35.5	12%	0.118	19%	0.191	C	C	.	.	I	π-helix	trans	-108	-26.7	-173.6	-70.8	-62.1	0	0	0	115.4	F601 K603 R683 T798 I802	F601-N605 WeakPolarHBondContact CD2-ND2 3.46Å; F601-N605 WeakPolarHBondContact CE2-ND2 3.41Å; F601-N605 WeakPolarHBondContact O-CB 3.46Å; F601-N605 PolarHBondContact O-N 3.15Å; F601-N605 VanDerWaalsContact O-N 3.1Å; F601-N605 PolarHBondContact O-ND2 3.48Å; F601-N605 VanDerWaalsContact O-ND2 3.08Å; K603-N605 PolarHBondContact O-N 2.97Å; N605-R683 PolarHBondContact O-NH1 3.27Å; N605-R683 VanDerWaalsContact O-NH1 3.12Å; N605-R683 PolarHBondContact OD1-NH1 2.93Å; N605-T798 WeakPolarHBondContact OD1-CG2 3.48Å; N605-I802 HydrophobicContact CB-CD1 4.09Å; N605-I802 HydrophobicContact CB-CG1 4.49Å
606	L	96.7	Very high	96.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	18%	0.182	C	C	.	.	I	π-helix	trans	-120.7	-71	-174	-57.3	176.1	0	0	0	112	L596 V602 N610 A611 I613 I802	L596-L606 HydrophobicContact CD1-CD1 4.15Å; V602-L606 HydrophobicContact CG1-CD1 4.4Å; V602-L606 WeakPolarHBondContact O-CA 3.14Å; V602-L606 VanDerWaalsContact O-CB 3.31Å; V602-L606 WeakPolarHBondContact O-CB 3.48Å; V602-L606 PolarHBondContact O-N 2.69Å; L606-N610 PolarHBondContact O-N 2.61Å; L606-A611 HydrophobicContact CD2-CB 4.17Å; L606-A611 WeakPolarHBondContact O-CB 3.35Å; L606-A611 PolarHBondContact O-N 3.43Å; L606-I613 HydrophobicContact CD2-CD1 3.88Å; L606-I802 HydrophobicContact CD2-CD1 4.47Å; L606-I802 HydrophobicContact CD2-CG1 4.46Å; L606-I802 HydrophobicContact CD2-CG2 4.35Å
607	T	95.3	Very high	96.6	Very high	17 Å²	17	33.3 Å²	33.3	10%	0.104	18%	0.183	C	C	.	.	I	π-helix	trans	-68.7	-51.2	-168.2	61.1	0	0	0	0	112.1	V602 K603 K609 N610	V602-T607 HydrophobicContact CG1-CG2 4.31Å; V602-T607 PolarHBondContact O-N 2.91Å; K603-T607 WeakPolarHBondContact CA-OG1 3.47Å; T607-K609 PolarHBondContact O-N 3.46Å; T607-N610 PolarHBondContact O-N 3.14Å
608	D	95.3	Very high	96.2	Very high	110 Å²	110	32.3 Å²	32.3	59%	0.588	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.3	-174.2	-59.4	-6.3	0	0	0	111.6	K603	K603-D608 VanDerWaalsContact O-CB 3.26Å; K603-D608 WeakPolarHBondContact O-CB 3.4Å; K603-D608 PolarHBondContact O-N 3.11Å
609	K	93.6	Very high	95.6	Very high	90 Å²	90	32 Å²	32	39%	0.391	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.4	172.8	-65.5	-65.4	-176	-177.3	0	113.5	A604 T607 A611 T682 R683	A604-K609 WeakPolarHBondContact O-CE 3.46Å; A604-K609 WeakPolarHBondContact O-CG 3.04Å; T607-K609 PolarHBondContact O-N 3.46Å; K609-A611 PolarHBondContact O-N 3.29Å; K609-T682 PolarHBondContact O-OG1 3.11Å; K609-R683 HydrophobicContact CB-CB 4.29Å
610	N	95.9	Very high	94.9	Very high	28 Å²	28	32.8 Å²	32.8	15%	0.15	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	51.3	-173	-54.6	-71.7	0	0	0	110.8	L606 T607 L612 Y673 P681 T682	L606-N610 PolarHBondContact O-N 2.61Å; T607-N610 PolarHBondContact O-N 3.14Å; N610-L612 PolarHBondContact O-N 3.14Å; N610-Y673 WeakPolarHBondContact CA-OH 3.2Å; N610-Y673 HydrophobicContact CB-CE1 4.23Å; N610-Y673 WeakPolarHBondContact CB-OH 3.37Å; N610-Y673 PolarHBondContact O-OH 2.92Å; N610-P681 VanDerWaalsContact O-CA 3.22Å; N610-P681 WeakPolarHBondContact O-CA 3.13Å; N610-P681 WeakPolarHBondContact O-CB 3.41Å; N610-T682 PolarHBondContact O-N 2.87Å
611	A	97.9	Very high	93.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.4	-172	0	0	0	0	0	111.6	L606 K609 I613 N637 R683	L606-A611 HydrophobicContact CD2-CB 4.17Å; L606-A611 WeakPolarHBondContact O-CB 3.35Å; L606-A611 PolarHBondContact O-N 3.43Å; K609-A611 PolarHBondContact O-N 3.29Å; A611-I613 HydrophobicContact CB-CD1 4.06Å; A611-N637 PolarHBondContact O-ND2 3.33Å; A611-R683 WeakPolarHBondContact CA-O 3.47Å; A611-R683 HydrophobicContact CB-CB 4.5Å; A611-R683 HydrophobicContact CB-CG 4.43Å
612	L	98.5	Very high	92.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111.5	165.9	176.2	62.5	0	0	0	108.9	N610 L614 N637 I670 Y673 P681 R683 I684 I685	N610-L612 PolarHBondContact O-N 3.14Å; L612-L614 HydrophobicContact CD1-CD2 4.03Å; L612-L614 HydrophobicContact CD2-CD2 4.05Å; L612-L614 HydrophobicContact CD2-CG 4.37Å; L612-L614 HydrophobicContact CG-CD2 3.89Å; L612-L614 HydrophobicContact CG-CG 4.09Å; L612-N637 WeakPolarHBondContact CD1-O 3.34Å; L612-I670 HydrophobicContact CD2-CG1 3.82Å; L612-Y673 HydrophobicContact CD1-CD2 4.07Å; L612-Y673 HydrophobicContact CD1-CG 4.44Å; L612-P681 HydrophobicContact CB-CB 3.66Å; L612-P681 HydrophobicContact CB-CG 3.64Å; L612-P681 HydrophobicContact CD2-CG 3.9Å; L612-P681 HydrophobicContact CG-CG 4.35Å; L612-R683 PolarHBondContact N-O 3Å; L612-I684 HydrophobicContact CB-CG1 4.37Å; L612-I684 WeakPolarHBondContact O-CA 3.4Å; L612-I685 PolarHBondContact O-N 2.73Å
613	I	98.6	Very high	91.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.7	177.3	-47.8	-55.8	0	0	0	108.8	L606 A611 G636 N637 I685 F687 L806 P822	L606-I613 HydrophobicContact CD2-CD1 3.88Å; A611-I613 HydrophobicContact CB-CD1 4.06Å; I613-G636 WeakPolarHBondContact O-CA 3.42Å; I613-N637 PolarHBondContact N-OD1 3.32Å; I613-N637 PolarHBondContact O-N 3.45Å; I613-N637 PolarHBondContact O-OD1 2.97Å; I613-I685 CarbonylContact C-O 3.56Å; I613-I685 WeakPolarHBondContact CA-O 3.47Å; I613-I685 HydrophobicContact CD1-CB 3.87Å; I613-I685 HydrophobicContact CD1-CD1 3.95Å; I613-I685 HydrophobicContact CD1-CG1 4.17Å; I613-F687 HydrophobicContact CG2-CD2 4.07Å; I613-F687 HydrophobicContact CG2-CE2 4Å; I613-L806 HydrophobicContact CG2-CD1 3.68Å; I613-L806 HydrophobicContact CG2-CD2 4.48Å; I613-P822 HydrophobicContact CG2-CB 4.38Å; I613-P822 HydrophobicContact CG2-CG 3.75Å
614	L	98.6	Very high	89.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141.2	179.6	-61.9	175.9	0	0	0	111.3	L612 V634 V635 Y666 R669 I684 I685 L686 F687 L707	L612-L614 HydrophobicContact CD1-CD2 4.03Å; L612-L614 HydrophobicContact CD2-CD2 4.05Å; L612-L614 HydrophobicContact CD2-CG 4.37Å; L612-L614 HydrophobicContact CG-CD2 3.89Å; L612-L614 HydrophobicContact CG-CG 4.09Å; L614-V634 HydrophobicContact CD2-CG1 4.36Å; L614-V635 CarbonylContact C-O 3.12Å; L614-V635 WeakPolarHBondContact CA-O 3.13Å; L614-Y666 HydrophobicContact CD1-CD1 3.9Å; L614-Y666 HydrophobicContact CD1-CE1 4.08Å; L614-R669 HydrophobicContact CD2-CB 3.95Å; L614-R669 HydrophobicContact CD2-CG 4.09Å; L614-I684 HydrophobicContact CD1-CG2 3.7Å; L614-I684 HydrophobicContact CG-CG2 4.21Å; L614-I685 PolarHBondContact N-O 2.95Å; L614-L686 HydrophobicContact CB-CB 4.26Å; L614-L686 HydrophobicContact CB-CG 4.15Å; L614-L686 HydrophobicContact CD1-CD1 4.32Å; L614-F687 PolarHBondContact O-N 3.3Å; L614-L707 HydrophobicContact CD1-CD1 4.42Å
615	G	98	Very high	88.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.5	167.8	0	0	0	0	0	109.7	V635 F687	G615-V635 PolarHBondContact N-O 2.86Å; G615-V635 PolarHBondContact O-N 2.84Å; G615-F687 CarbonylContact C-O 3.6Å; G615-F687 WeakPolarHBondContact CA-O 3.33Å
616	V	96.2	Very high	86.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.7	-176.9	-174.9	0	0	0	0	109.8	A633 V634 I659 Y666 L686 F687 D689	V616-A633 WeakPolarHBondContact CA-O 3.37Å; V616-V634 HydrophobicContact CG1-CG2 4.45Å; V616-V634 HydrophobicContact CG2-CG1 4.31Å; V616-V634 HydrophobicContact CG2-CG2 4.32Å; V616-I659 HydrophobicContact CG1-CD1 3.38Å; V616-Y666 HydrophobicContact CG2-CE1 4.31Å; V616-L686 HydrophobicContact CG2-CD1 4.1Å; V616-L686 HydrophobicContact CG2-CD2 4.19Å; V616-L686 HydrophobicContact CG2-CG 4.06Å; V616-F687 PolarHBondContact N-O 3.41Å; V616-D689 PolarHBondContact O-N 3.32Å
617	D	92.6	Very high	85.6	Confident	11 Å²	11	43.7 Å²	43.7	6%	0.059	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.6	176.4	-176.2	36.4	0	0	0	111.3	T619 A632 A633 D689 A826 H827	D617-T619 PolarHBondContact OD2-OG1 3.13Å; D617-A632 WeakPolarHBondContact O-CA 3.34Å; D617-A633 PolarHBondContact N-O 3.38Å; D617-A633 VanDerWaalsContact N-O 3.13Å; D617-A633 PolarHBondContact O-N 2.88Å; D617-D689 HydrophobicContact CB-CB 4.44Å; D617-A826 HydrophobicContact CB-CB 3.72Å; D617-H827 VanDerWaalsContact OD2-CA 3.29Å; D617-H827 WeakPolarHBondContact OD2-CA 3.1Å; D617-H827 IonicContact OD2-CG 3.64Å
618	V	88.6	Confident	84.8	Confident	12 Å²	12	43.2 Å²	43.2	7%	0.073	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118.8	171.1	-179.1	0	0	0	0	108.4	I631 A632 I659	V618-I631 WeakPolarHBondContact CA-O 3.42Å; V618-A632 HydrophobicContact CG2-CB 4.18Å; V618-I659 HydrophobicContact CG2-CD1 3.67Å; V618-I659 HydrophobicContact CG2-CG1 3.47Å; V618-I659 VanDerWaalsContact CG2-CG1 3.47Å
619	T	83.2	Confident	84.2	Confident	30 Å²	30	39.7 Å²	39.7	18%	0.184	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.6	175.9	-66.8	0	0	0	0	110.8	D617 I631 C830 R834	D617-T619 PolarHBondContact OD2-OG1 3.13Å; T619-I631 PolarHBondContact N-O 2.85Å; T619-I631 PolarHBondContact O-N 3.01Å; T619-C830 VanDerWaalsContact OG1-CB 3.27Å; T619-C830 WeakPolarHBondContact OG1-CB 3.24Å; T619-R834 PolarHBondContact O-NH2 2.97Å
620	H	81.8	Confident	83.8	Confident	55 Å²	55	35.4 Å²	35.4	26%	0.255	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-83.5	152.4	171.4	-62.1	-45.9	0	0	0	112.8	S630 R656 E657	H620-S630 WeakPolarHBondContact ND1-CB 3.26Å; H620-S630 PolarHBondContact ND1-OG 3.43Å; H620-R656 PolarHBondContact CE1-O 3.22Å; H620-E657 IonicContact CD2-OE1 3.15Å; H620-E657 IonicContact NE2-OE1 3.88Å; H620-E657 PolarHBondContact NE2-OE1 3.38Å; H620-E657 IonicContact NE2-OE2 2.65Å
621	P	74	Confident	83.5	Confident	13 Å²	13	34.1 Å²	34.1	8%	0.084	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-61.3	158.9	168.6	32.1	-40.4	0	0	0	111.4	D625 S628	P621-D625 HydrophobicContact CB-CB 4.19Å; P621-S628 WeakPolarHBondContact CG-O 3.28Å
622	H	70.3	Confident	83.1	Confident	89 Å²	89	34.1 Å²	34.1	41%	0.412	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-59.6	150.8	173.7	-170.6	-94.5	0	0	0	110.3	A624 D625	H622-A624 WeakPolarHBondContact ND1-CB 3.37Å; H622-A624 PolarHBondContact ND1-N 3.02Å; H622-A624 PolarHBondContact O-N 2.91Å; H622-D625 HydrophobicContact CB-CB 4.42Å; H622-D625 WeakPolarHBondContact O-CA 3.38Å; H622-D625 WeakPolarHBondContact O-CB 3.18Å; H622-D625 PolarHBondContact O-N 2.97Å; H622-D625 VanDerWaalsContact O-O 3.11Å
623	I	67	Low	82.9	Confident	120 Å²	120	34.1 Å²	34.1	62%	0.615	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.8	-176.7	-66.8	170.3	0	0	0	112.9	R655	I623-R655 PolarHBondContact O-NH2 3.25Å
624	A	63.6	Low	82.8	Confident	62 Å²	62	34.1 Å²	34.1	51%	0.512	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-16.6	178.4	0	0	0	0	0	114.1	T365 H622	T365-A624 VanDerWaalsContact O-CB 3.22Å; T365-A624 WeakPolarHBondContact O-CB 3.26Å; H622-A624 WeakPolarHBondContact ND1-CB 3.37Å; H622-A624 PolarHBondContact ND1-N 3.02Å; H622-A624 PolarHBondContact O-N 2.91Å
625	D	69.5	Low	82.7	Confident	55 Å²	55	34.2 Å²	34.2	29%	0.294	19%	0.187	S	C	.	.			trans	-98.3	104.6	179.3	-177.6	-8.9	0	0	0	108.4	P621 H622 E627 S628	P621-D625 HydrophobicContact CB-CB 4.19Å; H622-D625 HydrophobicContact CB-CB 4.42Å; H622-D625 WeakPolarHBondContact O-CA 3.38Å; H622-D625 WeakPolarHBondContact O-CB 3.18Å; H622-D625 PolarHBondContact O-N 2.97Å; H622-D625 VanDerWaalsContact O-O 3.11Å; D625-E627 PolarHBondContact OD1-N 2.6Å; D625-S628 VanDerWaalsContact CG-CB 3.43Å; D625-S628 WeakPolarHBondContact OD1-CB 3.45Å; D625-S628 PolarHBondContact OD1-N 2.91Å; D625-S628 PolarHBondContact OD1-OG 3.47Å; D625-S628 WeakPolarHBondContact OD2-CB 3.48Å; D625-S628 PolarHBondContact OD2-OG 2.91Å
626	N	66.1	Low	82.7	Confident	117 Å²	117	34.3 Å²	34.3	63%	0.626	19%	0.187	S	C	*	.	S	Bend	trans	-95.3	-6.7	-177	-75.8	-19.5	0	0	0	113.3
627	E	72.5	Confident	82.8	Confident	108 Å²	108	34.3 Å²	34.3	51%	0.505	19%	0.188	S	C	.	.	S	Bend	trans	-103.8	-35.2	-172	-64.5	-173.3	172.8	0	0	111.4	D625 T841 Y844	D625-E627 PolarHBondContact OD1-N 2.6Å; E627-T841 HydrophobicContact CB-CG2 4.32Å; E627-Y844 PolarHBondContact OE1-OH 2.79Å
628	S	78.3	Confident	83	Confident	7 Å²	7	35.8 Å²	35.8	5%	0.049	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-62.6	138	-179.9	-86.7	0	0	0	0	113.3	P621 D625 R834	P621-S628 WeakPolarHBondContact CG-O 3.28Å; D625-S628 VanDerWaalsContact CG-CB 3.43Å; D625-S628 WeakPolarHBondContact OD1-CB 3.45Å; D625-S628 PolarHBondContact OD1-N 2.91Å; D625-S628 PolarHBondContact OD1-OG 3.47Å; D625-S628 WeakPolarHBondContact OD2-CB 3.48Å; D625-S628 PolarHBondContact OD2-OG 2.91Å; S628-R834 VanDerWaalsContact CB-NH1 3.32Å
629	P	83.3	Confident	83.3	Confident	37 Å²	37	36.4 Å²	36.4	24%	0.24	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-76.3	170.6	175.9	32.2	-36.5	0	0	0	112	V651 Q652 R834	P629-V651 HydrophobicContact CB-CG1 3.34Å; P629-V651 HydrophobicContact CG-CG1 3.32Å; P629-Q652 WeakPolarHBondContact CB-O 3.28Å; P629-R834 PolarHBondContact O-NH1 3.16Å; P629-R834 PolarHBondContact O-NH2 3.05Å
630	S	86	Confident	83.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	152.7	166.3	-46.1	0	0	0	0	109.5	H620 Q652 P653 R655	H620-S630 WeakPolarHBondContact ND1-CB 3.26Å; H620-S630 PolarHBondContact ND1-OG 3.43Å; S630-Q652 PolarHBondContact N-O 3.24Å; S630-Q652 PolarHBondContact O-N 3.38Å; S630-P653 PolarHBondContact OG-O 3.4Å; S630-P653 VanDerWaalsContact OG-O 3.12Å; S630-R655 PolarHBondContact OG-N 3.26Å
631	I	88.5	Confident	84.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.1	-178.7	-59.1	170.4	0	0	0	108.3	V618 T619 I649 C830 R834	V618-I631 WeakPolarHBondContact CA-O 3.42Å; T619-I631 PolarHBondContact N-O 2.85Å; T619-I631 PolarHBondContact O-N 3.01Å; I631-I649 HydrophobicContact CG2-CG2 3.73Å; I631-C830 HydrophobicContact CG2-CB 4.34Å; I631-C830 PolarHBondContact O-SG 2.99Å; I631-C830 VanDerWaalsContact O-SG 3.35Å; I631-R834 HydrophobicContact CD1-CB 4.02Å
632	A	90.7	Very high	85.3	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.1	172	0	0	0	0	0	110.1	D617 V618 I649 R650 I659	D617-A632 WeakPolarHBondContact O-CA 3.34Å; V618-A632 HydrophobicContact CG2-CB 4.18Å; A632-I649 WeakPolarHBondContact O-CA 3.37Å; A632-R650 PolarHBondContact N-O 2.81Å; A632-R650 PolarHBondContact O-N 3Å; A632-I659 HydrophobicContact CB-CB 4.27Å; A632-I659 HydrophobicContact CB-CD1 4.15Å; A632-I659 HydrophobicContact CB-CG1 3.81Å; A632-I659 HydrophobicContact CB-CG2 3.56Å
633	A	93.1	Very high	86.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.9	170.3	0	0	0	0	0	111.3	V616 D617 S648 I649 A829 C830	V616-A633 WeakPolarHBondContact CA-O 3.37Å; D617-A633 PolarHBondContact N-O 3.38Å; D617-A633 VanDerWaalsContact N-O 3.13Å; D617-A633 PolarHBondContact O-N 2.88Å; A633-S648 CarbonylContact C-O 3.58Å; A633-S648 VanDerWaalsContact CA-O 3.23Å; A633-S648 WeakPolarHBondContact CA-O 3.35Å; A633-I649 HydrophobicContact CB-CG1 4.34Å; A633-A829 HydrophobicContact CB-CB 3.84Å; A633-C830 WeakPolarHBondContact CB-SG 3.41Å
634	V	96.3	Very high	87.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.3	170.3	-177.1	0	0	0	0	108.2	L614 V616 A647 S648 L662 E665 Y666 R669	L614-V634 HydrophobicContact CD2-CG1 4.36Å; V616-V634 HydrophobicContact CG1-CG2 4.45Å; V616-V634 HydrophobicContact CG2-CG1 4.31Å; V616-V634 HydrophobicContact CG2-CG2 4.32Å; V634-A647 CarbonylContact O-C 3.55Å; V634-A647 WeakPolarHBondContact O-CA 3.36Å; V634-S648 PolarHBondContact N-O 3.49Å; V634-S648 PolarHBondContact O-N 3.4Å; V634-L662 HydrophobicContact CG2-CD2 3.97Å; V634-E665 HydrophobicContact CB-CB 4.08Å; V634-E665 HydrophobicContact CG2-CB 3.78Å; V634-E665 HydrophobicContact CG2-CG 4.49Å; V634-Y666 HydrophobicContact CG1-CD1 3.9Å; V634-Y666 HydrophobicContact CG1-CE1 3.97Å; V634-Y666 HydrophobicContact CG2-CE1 4.36Å; V634-R669 HydrophobicContact CG1-CG 3.86Å
635	V	97.4	Very high	89.2	Confident	3 Å²	3	29 Å²	29	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.6	178	174.6	0	0	0	0	109.3	L614 G615 Y645 V646 A647 F825 A826	L614-V635 CarbonylContact C-O 3.12Å; L614-V635 WeakPolarHBondContact CA-O 3.13Å; G615-V635 PolarHBondContact N-O 2.86Å; G615-V635 PolarHBondContact O-N 2.84Å; V635-Y645 HydrophobicContact CG1-CD1 3.75Å; V635-Y645 HydrophobicContact CG1-CG 4.17Å; V635-V646 WeakPolarHBondContact CA-O 3.49Å; V635-A647 HydrophobicContact CG2-CB 3.75Å; V635-F825 HydrophobicContact CB-CB 4.46Å; V635-F825 HydrophobicContact CG1-CB 3.84Å; V635-F825 HydrophobicContact CG1-CD2 4.48Å; V635-F825 HydrophobicContact CG2-CB 4.24Å; V635-A826 HydrophobicContact CB-CB 4.46Å; V635-A826 HydrophobicContact CG2-CB 4.03Å
636	G	97.9	Very high	90.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.6	174.8	0	0	0	0	0	111.9	I613 Y645 V646	I613-G636 WeakPolarHBondContact O-CA 3.42Å; G636-Y645 VanDerWaalsContact C-CD1 3.46Å; G636-Y645 WeakPolarHBondContact O-CA 3.47Å; G636-V646 PolarHBondContact N-O 3.39Å; G636-V646 PolarHBondContact O-N 3.07Å
637	N	97.7	Very high	91.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	149.9	167.7	60.4	-55.7	0	0	0	110.2	A611 L612 I613 D639 K644 Y645 Y673	A611-N637 PolarHBondContact O-ND2 3.33Å; L612-N637 WeakPolarHBondContact CD1-O 3.34Å; I613-N637 PolarHBondContact N-OD1 3.32Å; I613-N637 PolarHBondContact O-N 3.45Å; I613-N637 PolarHBondContact O-OD1 2.97Å; N637-D639 PolarHBondContact ND2-O 3.34Å; N637-K644 CarbonylContact C-O 3.59Å; N637-K644 WeakPolarHBondContact CA-O 3.43Å; N637-Y645 HydrophobicContact CB-CD1 4.07Å; N637-Y645 HydrophobicContact CB-CE1 3.76Å; N637-Y645 HydrophobicContact CB-CE2 4.41Å; N637-Y645 VanDerWaalsContact N-CD1 3.32Å; N637-Y673 WeakPolarHBondContact O-CD2 3.44Å
638	I	96.6	Very high	92.9	Very high	42 Å²	42	20.3 Å²	20.3	22%	0.215	12%	0.116	C	C	.	.			trans	-107.3	-20.3	173.2	61.9	176.6	0	0	0	112.5	K644 V646 A672 A676 N677	I638-K644 HydrophobicContact CD1-CB 4.03Å; I638-K644 HydrophobicContact CG1-CB 3.7Å; I638-K644 PolarHBondContact N-O 3.17Å; I638-V646 HydrophobicContact CD1-CG1 4.43Å; I638-V646 HydrophobicContact CG2-CB 4.23Å; I638-V646 HydrophobicContact CG2-CG1 3.81Å; I638-V646 HydrophobicContact CG2-CG2 3.34Å; I638-A672 HydrophobicContact CG2-CB 4.09Å; I638-A676 HydrophobicContact CB-CB 4.16Å; I638-A676 WeakPolarHBondContact O-CB 3.36Å; I638-N677 PolarHBondContact O-ND2 2.83Å
639	D	94.8	Very high	93.5	Very high	24 Å²	24	22.5 Å²	22.5	13%	0.128	13%	0.126	C	C	.	.	S	Bend	trans	-104.2	153.7	-179.8	63.4	-48.2	0	0	0	111.2	N637 D641 C642 T643 K644	N637-D639 PolarHBondContact ND2-O 3.34Å; D639-D641 PolarHBondContact O-N 3.46Å; D639-C642 PolarHBondContact O-N 2.92Å; D639-C642 PolarHBondContact OD2-N 3.44Å; D639-T643 PolarHBondContact OD1-N 3.35Å; D639-T643 WeakPolarHBondContact OD2-CB 3.34Å; D639-T643 PolarHBondContact OD2-N 3.25Å; D639-T643 PolarHBondContact OD2-OG1 3.21Å; D639-K644 PolarHBondContact OD1-N 2.82Å
640	V	94.9	Very high	93.8	Very high	45 Å²	45	24.2 Å²	24.2	27%	0.273	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.6	174.8	-67.7	0	0	0	0	113.3	C642 N677	V640-C642 VanDerWaalsContact C-N 3.26Å; V640-C642 PolarHBondContact O-N 3.42Å; V640-N677 HydrophobicContact CG1-CB 4.44Å
641	D	93.2	Very high	93.8	Very high	44 Å²	44	27.6 Å²	27.6	24%	0.235	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	1.3	-177.3	-69.2	-13.6	0	0	0	113.2	R595 D639 T643	R595-D641 IonicContact CZ-OD2 3.46Å; R595-D641 IonicContact NH1-OD2 3.39Å; R595-D641 PolarHBondContact NH1-OD2 2.77Å; D639-D641 PolarHBondContact O-N 3.46Å; D641-T643 VanDerWaalsContact C-N 3.32Å; D641-T643 HydrophobicContact CB-CG2 3.93Å; D641-T643 WeakPolarHBondContact O-CG2 3.07Å; D641-T643 PolarHBondContact O-N 3.39Å
642	C	94.5	Very high	93.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.007	15%	0.15	C	C	.	.	S	Bend	trans	56.1	37.8	-179.6	-56.9	0	0	0	0	114.2	D639 V640 Y645	D639-C642 PolarHBondContact O-N 2.92Å; D639-C642 PolarHBondContact OD2-N 3.44Å; V640-C642 VanDerWaalsContact C-N 3.26Å; V640-C642 PolarHBondContact O-N 3.42Å; C642-Y645 WeakPolarHBondContact O-CE2 3.19Å; C642-Y645 PolarHBondContact O-OH 3.15Å
643	T	92.5	Very high	93	Very high	19 Å²	19	31.3 Å²	31.3	12%	0.117	17%	0.172	C	C	.	.			trans	-106.1	-27.9	-176.4	70.1	0	0	0	0	114.5	V592 R595 D639 D641	V592-T643 HydrophobicContact CG1-CG2 3.86Å; R595-T643 HydrophobicContact CB-CG2 3.51Å; D639-T643 PolarHBondContact OD1-N 3.35Å; D639-T643 WeakPolarHBondContact OD2-CB 3.34Å; D639-T643 PolarHBondContact OD2-N 3.25Å; D639-T643 PolarHBondContact OD2-OG1 3.21Å; D641-T643 VanDerWaalsContact C-N 3.32Å; D641-T643 HydrophobicContact CB-CG2 3.93Å; D641-T643 WeakPolarHBondContact O-CG2 3.07Å; D641-T643 PolarHBondContact O-N 3.39Å
644	K	94.2	Very high	92.1	Very high	64 Å²	64	38.3 Å²	38.3	28%	0.278	20%	0.203	S	C	.	.			trans	-113.2	123.1	-176.8	-65.4	-178.1	-173.7	-179.4	0	109.5	Q457 G590 V592 N637 I638 D639	Q457-K644 VanDerWaalsContact OE1-NZ 3.07Å; G590-K644 WeakPolarHBondContact O-CE 3.34Å; G590-K644 PolarHBondContact O-NZ 3.44Å; V592-K644 HydrophobicContact CG2-CD 4.36Å; V592-K644 HydrophobicContact CG2-CG 4.13Å; N637-K644 CarbonylContact C-O 3.59Å; N637-K644 WeakPolarHBondContact CA-O 3.43Å; I638-K644 HydrophobicContact CD1-CB 4.03Å; I638-K644 HydrophobicContact CG1-CB 3.7Å; I638-K644 PolarHBondContact N-O 3.17Å; D639-K644 PolarHBondContact OD1-N 2.82Å
645	Y	96.1	Very high	90.9	Very high	41 Å²	41	44.5 Å²	44.5	16%	0.161	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.9	-177	-71	-97.4	0	0	0	112	V635 G636 N637 C642 P822 F825	V635-Y645 HydrophobicContact CG1-CD1 3.75Å; V635-Y645 HydrophobicContact CG1-CG 4.17Å; G636-Y645 VanDerWaalsContact C-CD1 3.46Å; G636-Y645 WeakPolarHBondContact O-CA 3.47Å; N637-Y645 HydrophobicContact CB-CD1 4.07Å; N637-Y645 HydrophobicContact CB-CE1 3.76Å; N637-Y645 HydrophobicContact CB-CE2 4.41Å; N637-Y645 VanDerWaalsContact N-CD1 3.32Å; C642-Y645 WeakPolarHBondContact O-CE2 3.19Å; C642-Y645 PolarHBondContact O-OH 3.15Å; Y645-P822 HydrophobicContact CD1-CB 4.38Å; Y645-P822 HydrophobicContact CE1-CB 3.86Å; Y645-P822 HydrophobicContact CE1-CG 4.44Å; Y645-F825 HydrophobicContact CD1-CD2 4.15Å; Y645-F825 AromaticContact CD2-CD2 3.8Å; Y645-F825 HydrophobicContact CD2-CD2 3.8Å; Y645-F825 AromaticContact CD2-CE2 3.43Å; Y645-F825 HydrophobicContact CD2-CE2 3.43Å; Y645-F825 VanDerWaalsContact CD2-CE2 3.43Å; Y645-F825 HydrophobicContact CE2-CD2 4.38Å; Y645-F825 AromaticContact CE2-CE2 3.85Å; Y645-F825 HydrophobicContact CE2-CE2 3.85Å; Y645-F825 AromaticContact CG-CD2 3.66Å; Y645-F825 HydrophobicContact CG-CD2 3.66Å; Y645-F825 AromaticContact CG-CE2 3.82Å; Y645-F825 HydrophobicContact CG-CE2 3.82Å
646	V	95.4	Very high	89.8	Confident	49 Å²	49	49.7 Å²	49.7	30%	0.297	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.4	177.6	-68	0	0	0	0	109.9	V635 G636 I638 R669 A672	V635-V646 WeakPolarHBondContact CA-O 3.49Å; G636-V646 PolarHBondContact N-O 3.39Å; G636-V646 PolarHBondContact O-N 3.07Å; I638-V646 HydrophobicContact CD1-CG1 4.43Å; I638-V646 HydrophobicContact CG2-CB 4.23Å; I638-V646 HydrophobicContact CG2-CG1 3.81Å; I638-V646 HydrophobicContact CG2-CG2 3.34Å; V646-R669 VanDerWaalsContact CB-NH1 3.3Å; V646-R669 PolarHBondContact O-NH1 2.72Å; V646-A672 HydrophobicContact CG2-CB 4.22Å
647	A	95.1	Very high	88.4	Confident	46 Å²	46	52.2 Å²	52.2	38%	0.38	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.8	179.4	0	0	0	0	0	112.6	V634 V635 I649 R669 A829	V634-A647 CarbonylContact O-C 3.55Å; V634-A647 WeakPolarHBondContact O-CA 3.36Å; V635-A647 HydrophobicContact CG2-CB 3.75Å; A647-I649 HydrophobicContact CB-CG1 4.29Å; A647-R669 VanDerWaalsContact CA-NH1 3.34Å; A647-R669 PolarHBondContact O-NH1 2.81Å; A647-A829 HydrophobicContact CB-CB 3.8Å
648	S	93.9	Very high	87.3	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	139.3	155.6	-63.5	0	0	0	0	107	A633 V634 E668 R669	A633-S648 CarbonylContact C-O 3.58Å; A633-S648 VanDerWaalsContact CA-O 3.23Å; A633-S648 WeakPolarHBondContact CA-O 3.35Å; V634-S648 PolarHBondContact N-O 3.49Å; V634-S648 PolarHBondContact O-N 3.4Å; S648-E668 WeakPolarHBondContact CB-OE2 3.46Å; S648-E668 PolarHBondContact OG-OE2 3.33Å; S648-R669 PolarHBondContact OG-NE 2.55Å; S648-R669 VanDerWaalsContact OG-NE 3.13Å; S648-R669 PolarHBondContact OG-NH2 3.21Å
649	I	91.1	Very high	86.3	Confident	53 Å²	53	51.5 Å²	51.5	27%	0.272	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.2	-177.1	-55.7	174.3	0	0	0	108.4	I631 A632 A633 A647 A829 S833	I631-I649 HydrophobicContact CG2-CG2 3.73Å; A632-I649 WeakPolarHBondContact O-CA 3.37Å; A633-I649 HydrophobicContact CB-CG1 4.34Å; A647-I649 HydrophobicContact CB-CG1 4.29Å; I649-A829 HydrophobicContact CD1-CB 3.98Å; I649-A829 HydrophobicContact CG1-CB 4.19Å; I649-S833 WeakPolarHBondContact CG2-OG 3.36Å
650	R	89.4	Confident	85.4	Confident	74 Å²	74	53.7 Å²	53.7	28%	0.279	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.2	176.4	-65.9	-68.8	-173.2	-83.5	-3.9	111.9	A632 Y661 E665 E668	A632-R650 PolarHBondContact N-O 2.81Å; A632-R650 PolarHBondContact O-N 3Å; R650-Y661 HydrophobicContact CB-CD2 3.83Å; R650-Y661 HydrophobicContact CG-CD2 3.96Å; R650-Y661 HydrophobicContact CG-CG 4.26Å; R650-E665 HydrophobicContact CG-CG 4Å; R650-E665 WeakPolarHBondContact CG-OE1 3.49Å; R650-E668 IonicContact CZ-OE1 2.76Å; R650-E668 IonicContact NH2-OE1 2.72Å; R650-E668 PolarHBondContact NH2-OE1 3.12Å
651	V	86.9	Confident	84.8	Confident	71 Å²	71	56.7 Å²	56.7	43%	0.43	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.4	174.4	-177.3	0	0	0	0	108.4	P629	P629-V651 HydrophobicContact CB-CG1 3.34Å; P629-V651 HydrophobicContact CG-CG1 3.32Å
652	Q	83.5	Confident	84.6	Confident	5 Å²	5	54.9 Å²	54.9	2%	0.023	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	164.2	-179.7	71.9	-169.7	43.9	0	0	112.2	P629 S630 R656 S658 L660	P629-Q652 WeakPolarHBondContact CB-O 3.28Å; S630-Q652 PolarHBondContact N-O 3.24Å; S630-Q652 PolarHBondContact O-N 3.38Å; Q652-R656 PolarHBondContact NE2-O 3.4Å; Q652-S658 PolarHBondContact NE2-O 3.44Å; Q652-S658 VanDerWaalsContact NE2-O 3.08Å; Q652-L660 HydrophobicContact CB-CD1 3.94Å; Q652-L660 HydrophobicContact CB-CG 4.33Å
653	P	79.6	Confident	84.6	Confident	73 Å²	73	58.5 Å²	58.5	47%	0.474	28%	0.28	S	S	.	.	S	Bend	trans	-50.3	151.8	177.3	-29	36.6	0	0	0	113.3	S630 R655 L660	S630-P653 PolarHBondContact OG-O 3.4Å; S630-P653 VanDerWaalsContact OG-O 3.12Å; P653-R655 PolarHBondContact O-N 3.48Å; P653-L660 HydrophobicContact CG-CD1 4.19Å
654	K	74.3	Confident	84.7	Confident	146 Å²	146	61 Å²	61	64%	0.635	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	138.7	-175.3	66.3	-175.3	179.1	-173.2	0	112.3	R656	K654-R656 PolarHBondContact O-N 2.96Å; K654-R656 VanDerWaalsContact O-N 3.07Å
655	R	70.9	Confident	84.7	Confident	131 Å²	131	57.9 Å²	57.9	49%	0.494	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	30.1	172.7	-55.5	-172.2	-175.3	-168.2	5.5	115.5	I623 S630 P653	I623-R655 PolarHBondContact O-NH2 3.25Å; S630-R655 PolarHBondContact OG-N 3.26Å; P653-R655 PolarHBondContact O-N 3.48Å
656	R	72.5	Confident	84.7	Confident	111 Å²	111	56 Å²	56	42%	0.419	27%	0.272	S	S	.	.			trans	-96.2	120.8	173.2	-172.2	173.8	-176.7	-177.2	-12.3	108.3	H620 Q652 K654 S658	H620-R656 PolarHBondContact CE1-O 3.22Å; Q652-R656 PolarHBondContact NE2-O 3.4Å; K654-R656 PolarHBondContact O-N 2.96Å; K654-R656 VanDerWaalsContact O-N 3.07Å; R656-S658 WeakPolarHBondContact CD-OG 3.49Å; R656-S658 VanDerWaalsContact CG-OG 3.27Å; R656-S658 WeakPolarHBondContact CG-OG 3.49Å; R656-S658 PolarHBondContact NE-OG 2.85Å; R656-S658 PolarHBondContact NH2-OG 3.29Å
657	E	70.3	Confident	84.8	Confident	54 Å²	54	57.1 Å²	57.1	25%	0.252	27%	0.271	S	S	.	.			trans	-79	-34.3	178.1	-73.1	-71.3	179.4	0	0	112.2	H620 I659 R688	H620-E657 IonicContact CD2-OE1 3.15Å; H620-E657 IonicContact NE2-OE1 3.88Å; H620-E657 PolarHBondContact NE2-OE1 3.38Å; H620-E657 IonicContact NE2-OE2 2.65Å; E657-I659 PolarHBondContact O-N 3.48Å; E657-R688 IonicContact OE2-NH2 3.78Å
658	S	73	Confident	84.9	Confident	15 Å²	15	58.1 Å²	58.1	11%	0.105	27%	0.268	C	S	.	.	S	Bend	trans	-66.2	129.7	174.9	65.6	0	0	0	0	111.3	Q652 R656 E702	Q652-S658 PolarHBondContact NE2-O 3.44Å; Q652-S658 VanDerWaalsContact NE2-O 3.08Å; R656-S658 WeakPolarHBondContact CD-OG 3.49Å; R656-S658 VanDerWaalsContact CG-OG 3.27Å; R656-S658 WeakPolarHBondContact CG-OG 3.49Å; R656-S658 PolarHBondContact NE-OG 2.85Å; R656-S658 PolarHBondContact NH2-OG 3.29Å; S658-E702 WeakPolarHBondContact CB-OE2 3.39Å
659	I	75.9	Confident	85	Confident	14 Å²	14	59.2 Å²	59.2	7%	0.072	27%	0.271	C	S	.	.			trans	-88.7	127.6	-176.8	-57.8	163.7	0	0	0	110.3	V616 V618 A632 E657 L662 E665	V616-I659 HydrophobicContact CG1-CD1 3.38Å; V618-I659 HydrophobicContact CG2-CD1 3.67Å; V618-I659 HydrophobicContact CG2-CG1 3.47Å; V618-I659 VanDerWaalsContact CG2-CG1 3.47Å; A632-I659 HydrophobicContact CB-CB 4.27Å; A632-I659 HydrophobicContact CB-CD1 4.15Å; A632-I659 HydrophobicContact CB-CG1 3.81Å; A632-I659 HydrophobicContact CB-CG2 3.56Å; E657-I659 PolarHBondContact O-N 3.48Å; I659-L662 HydrophobicContact CB-CD1 3.82Å; I659-L662 HydrophobicContact CB-CD2 3.72Å; I659-L662 HydrophobicContact CB-CG 3.5Å; I659-L662 VanDerWaalsContact CB-CG 3.5Å; I659-L662 HydrophobicContact CD1-CD1 4.5Å; I659-L662 HydrophobicContact CD1-CD2 3.75Å; I659-L662 HydrophobicContact CD1-CG 4.4Å; I659-L662 HydrophobicContact CG1-CD2 4.35Å; I659-L662 HydrophobicContact CG2-CD1 4.44Å; I659-L662 HydrophobicContact CG2-CD2 3.57Å; I659-L662 HydrophobicContact CG2-CG 3.57Å; I659-E665 WeakPolarHBondContact CG2-OE2 2.94Å
660	L	75.7	Confident	85.4	Confident	70 Å²	70	56.8 Å²	56.8	37%	0.366	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-35.9	-170	-82.6	177	0	0	0	115	Q652 P653	Q652-L660 HydrophobicContact CB-CD1 3.94Å; Q652-L660 HydrophobicContact CB-CG 4.33Å; P653-L660 HydrophobicContact CG-CD1 4.19Å
661	Y	83.2	Confident	85.8	Confident	108 Å²	108	55.9 Å²	55.9	42%	0.424	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	24.4	-166.2	-58.9	-76.8	0	0	0	112.6	R650 E663 D664 E665	R650-Y661 HydrophobicContact CB-CD2 3.83Å; R650-Y661 HydrophobicContact CG-CD2 3.96Å; R650-Y661 HydrophobicContact CG-CG 4.26Å; Y661-E663 VanDerWaalsContact C-N 3.27Å; Y661-E663 PolarHBondContact O-N 3.4Å; Y661-D664 PolarHBondContact O-N 3.46Å; Y661-D664 VanDerWaalsContact O-N 3.16Å; Y661-E665 WeakPolarHBondContact O-CG 3.38Å; Y661-E665 PolarHBondContact O-N 3.39Å; Y661-E665 VanDerWaalsContact O-N 3.08Å
662	L	89.7	Confident	86.2	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-56.2	-39.2	-172.5	-80.3	176.7	0	0	0	113.9	V634 I659 D664 E665 Y666 E703 A706	V634-L662 HydrophobicContact CG2-CD2 3.97Å; I659-L662 HydrophobicContact CB-CD1 3.82Å; I659-L662 HydrophobicContact CB-CD2 3.72Å; I659-L662 HydrophobicContact CB-CG 3.5Å; I659-L662 VanDerWaalsContact CB-CG 3.5Å; I659-L662 HydrophobicContact CD1-CD1 4.5Å; I659-L662 HydrophobicContact CD1-CD2 3.75Å; I659-L662 HydrophobicContact CD1-CG 4.4Å; I659-L662 HydrophobicContact CG1-CD2 4.35Å; I659-L662 HydrophobicContact CG2-CD1 4.44Å; I659-L662 HydrophobicContact CG2-CD2 3.57Å; I659-L662 HydrophobicContact CG2-CG 3.57Å; L662-D664 VanDerWaalsContact C-N 3.29Å; L662-D664 PolarHBondContact O-N 3.32Å; L662-E665 PolarHBondContact O-N 3.21Å; L662-Y666 HydrophobicContact CB-CD2 4.05Å; L662-Y666 HydrophobicContact CB-CE2 3.75Å; L662-Y666 HydrophobicContact CD1-CE2 4.23Å; L662-Y666 HydrophobicContact CD2-CE1 4.28Å; L662-Y666 HydrophobicContact CD2-CE2 3.91Å; L662-Y666 HydrophobicContact CG-CE2 4.17Å; L662-Y666 WeakPolarHBondContact O-CB 3.35Å; L662-Y666 WeakPolarHBondContact O-CD2 3.4Å; L662-Y666 VanDerWaalsContact O-CG 3.26Å; L662-Y666 PolarHBondContact O-N 3.4Å; L662-E703 HydrophobicContact CD1-CB 3.9Å; L662-E703 HydrophobicContact CD1-CG 3.54Å; L662-A706 HydrophobicContact CB-CB 3.62Å; L662-A706 HydrophobicContact CD1-CB 4.32Å
663	E	93.9	Very high	86.9	Confident	77 Å²	77	53.6 Å²	53.6	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-58	-44.8	-178.8	-63.8	-173	-175.2	0	0	111.4	Y661 R667 A706 V709 A710	Y661-E663 VanDerWaalsContact C-N 3.27Å; Y661-E663 PolarHBondContact O-N 3.4Å; E663-R667 VanDerWaalsContact O-CB 3.24Å; E663-R667 WeakPolarHBondContact O-CB 3.36Å; E663-R667 PolarHBondContact O-N 3.17Å; E663-A706 HydrophobicContact CG-CB 3.78Å; E663-V709 HydrophobicContact CG-CB 4.39Å; E663-V709 HydrophobicContact CG-CG1 4.32Å; E663-V709 VanDerWaalsContact OE2-CG1 3.31Å; E663-V709 WeakPolarHBondContact OE2-CG1 3.31Å; E663-A710 VanDerWaalsContact O-CB 3.28Å; E663-A710 WeakPolarHBondContact O-CB 3.38Å
664	D	93.3	Very high	87.8	Confident	70 Å²	70	50.7 Å²	50.7	37%	0.374	23%	0.23	S	C	.	.	H	α-helix	trans	-72.3	-42.4	178.7	-67.8	-28.4	0	0	0	111.2	Y661 L662 Y666 R667 E668	Y661-D664 PolarHBondContact O-N 3.46Å; Y661-D664 VanDerWaalsContact O-N 3.16Å; L662-D664 VanDerWaalsContact C-N 3.29Å; L662-D664 PolarHBondContact O-N 3.32Å; D664-Y666 PolarHBondContact O-N 2.96Å; D664-R667 PolarHBondContact O-N 3.15Å; D664-R667 IonicContact OD1-CZ 3.32Å; D664-R667 IonicContact OD1-NH1 3.85Å; D664-R667 PolarHBondContact OD1-NH1 3.37Å; D664-R667 IonicContact OD1-NH2 2.78Å; D664-R667 PolarHBondContact OD1-NH2 3.36Å; D664-E668 WeakPolarHBondContact O-CB 3.47Å; D664-E668 VanDerWaalsContact O-CG 3.3Å; D664-E668 WeakPolarHBondContact O-CG 3.26Å; D664-E668 PolarHBondContact O-N 2.96Å
665	E	94.5	Very high	88.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-43.4	179	-65.7	-177	120.6	0	0	111.9	V634 R650 I659 Y661 L662 E668 R669	V634-E665 HydrophobicContact CB-CB 4.08Å; V634-E665 HydrophobicContact CG2-CB 3.78Å; V634-E665 HydrophobicContact CG2-CG 4.49Å; R650-E665 HydrophobicContact CG-CG 4Å; R650-E665 WeakPolarHBondContact CG-OE1 3.49Å; I659-E665 WeakPolarHBondContact CG2-OE2 2.94Å; Y661-E665 WeakPolarHBondContact O-CG 3.38Å; Y661-E665 PolarHBondContact O-N 3.39Å; Y661-E665 VanDerWaalsContact O-N 3.08Å; L662-E665 PolarHBondContact O-N 3.21Å; E665-E668 PolarHBondContact O-N 2.86Å; E665-R669 WeakPolarHBondContact O-CG 3.35Å; E665-R669 PolarHBondContact O-N 2.9Å
666	Y	97.1	Very high	90	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-43.7	173.3	-67.5	-40.7	0	0	0	111.7	L614 V616 V634 L662 D664 E668 R669 I670 L686 A706 L707	L614-Y666 HydrophobicContact CD1-CD1 3.9Å; L614-Y666 HydrophobicContact CD1-CE1 4.08Å; V616-Y666 HydrophobicContact CG2-CE1 4.31Å; V634-Y666 HydrophobicContact CG1-CD1 3.9Å; V634-Y666 HydrophobicContact CG1-CE1 3.97Å; V634-Y666 HydrophobicContact CG2-CE1 4.36Å; L662-Y666 HydrophobicContact CB-CD2 4.05Å; L662-Y666 HydrophobicContact CB-CE2 3.75Å; L662-Y666 HydrophobicContact CD1-CE2 4.23Å; L662-Y666 HydrophobicContact CD2-CE1 4.28Å; L662-Y666 HydrophobicContact CD2-CE2 3.91Å; L662-Y666 HydrophobicContact CG-CE2 4.17Å; L662-Y666 WeakPolarHBondContact O-CB 3.35Å; L662-Y666 WeakPolarHBondContact O-CD2 3.4Å; L662-Y666 VanDerWaalsContact O-CG 3.26Å; L662-Y666 PolarHBondContact O-N 3.4Å; D664-Y666 PolarHBondContact O-N 2.96Å; Y666-E668 VanDerWaalsContact C-N 3.32Å; Y666-E668 PolarHBondContact O-N 3.26Å; Y666-R669 PolarHBondContact O-N 3.07Å; Y666-I670 VanDerWaalsContact O-CG1 3.27Å; Y666-I670 WeakPolarHBondContact O-CG1 3.24Å; Y666-I670 PolarHBondContact O-N 2.85Å; Y666-L686 HydrophobicContact CE1-CD1 3.82Å; Y666-L686 WeakPolarHBondContact OH-CD1 3.31Å; Y666-A706 HydrophobicContact CD2-CB 4.38Å; Y666-A706 HydrophobicContact CE2-CB 4.18Å; Y666-L707 HydrophobicContact CD1-CD1 4.02Å; Y666-L707 VanDerWaalsContact CD2-CA 3.46Å; Y666-L707 HydrophobicContact CD2-CB 3.72Å; Y666-L707 HydrophobicContact CD2-CD1 3.93Å; Y666-L707 HydrophobicContact CD2-CG 4.42Å; Y666-L707 HydrophobicContact CE2-CB 3.73Å; Y666-L707 HydrophobicContact CE2-CD1 4.48Å; Y666-L707 HydrophobicContact CG-CB 4.36Å; Y666-L707 HydrophobicContact CG-CD1 3.67Å
667	R	96.8	Very high	91.1	Very high	73 Å²	73	42.6 Å²	42.6	28%	0.275	22%	0.22	S	C	.	.	H	α-helix	trans	-60.2	-43.6	177.2	-167	-174	-53.3	142.9	17.5	111.3	E663 D664 R669 I670 N671 A710 S713 L714	E663-R667 VanDerWaalsContact O-CB 3.24Å; E663-R667 WeakPolarHBondContact O-CB 3.36Å; E663-R667 PolarHBondContact O-N 3.17Å; D664-R667 PolarHBondContact O-N 3.15Å; D664-R667 IonicContact OD1-CZ 3.32Å; D664-R667 IonicContact OD1-NH1 3.85Å; D664-R667 PolarHBondContact OD1-NH1 3.37Å; D664-R667 IonicContact OD1-NH2 2.78Å; D664-R667 PolarHBondContact OD1-NH2 3.36Å; R667-R669 PolarHBondContact O-N 2.7Å; R667-I670 PolarHBondContact O-N 2.87Å; R667-N671 WeakPolarHBondContact O-CB 3.31Å; R667-N671 PolarHBondContact O-N 3.31Å; R667-N671 PolarHBondContact O-ND2 2.99Å; R667-A710 HydrophobicContact CB-CB 4.29Å; R667-S713 PolarHBondContact NE-OG 2.6Å; R667-L714 HydrophobicContact CG-CD1 4.35Å; R667-L714 HydrophobicContact CG-CD2 3.64Å; R667-L714 HydrophobicContact CG-CG 4.02Å
668	E	96.5	Very high	92.3	Very high	68 Å²	68	47.1 Å²	47.1	32%	0.318	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-45	174.5	-77	177.4	-164.8	0	0	111.5	S648 R650 D664 E665 Y666 A672	S648-E668 WeakPolarHBondContact CB-OE2 3.46Å; S648-E668 PolarHBondContact OG-OE2 3.33Å; R650-E668 IonicContact CZ-OE1 2.76Å; R650-E668 IonicContact NH2-OE1 2.72Å; R650-E668 PolarHBondContact NH2-OE1 3.12Å; D664-E668 WeakPolarHBondContact O-CB 3.47Å; D664-E668 VanDerWaalsContact O-CG 3.3Å; D664-E668 WeakPolarHBondContact O-CG 3.26Å; D664-E668 PolarHBondContact O-N 2.96Å; E665-E668 PolarHBondContact O-N 2.86Å; Y666-E668 VanDerWaalsContact C-N 3.32Å; Y666-E668 PolarHBondContact O-N 3.26Å; E668-A672 VanDerWaalsContact O-CB 3.32Å; E668-A672 WeakPolarHBondContact O-CB 3.4Å; E668-A672 PolarHBondContact O-N 3.01Å
669	R	97.3	Very high	93.3	Very high	25 Å²	25	52.5 Å²	52.5	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-42.6	178.4	-65.6	-46.3	79.7	164.6	2.8	112.4	L614 V634 V646 A647 S648 E665 Y666 R667 A672 Y673	L614-R669 HydrophobicContact CD2-CB 3.95Å; L614-R669 HydrophobicContact CD2-CG 4.09Å; V634-R669 HydrophobicContact CG1-CG 3.86Å; V646-R669 VanDerWaalsContact CB-NH1 3.3Å; V646-R669 PolarHBondContact O-NH1 2.72Å; A647-R669 VanDerWaalsContact CA-NH1 3.34Å; A647-R669 PolarHBondContact O-NH1 2.81Å; S648-R669 PolarHBondContact OG-NE 2.55Å; S648-R669 VanDerWaalsContact OG-NE 3.13Å; S648-R669 PolarHBondContact OG-NH2 3.21Å; E665-R669 WeakPolarHBondContact O-CG 3.35Å; E665-R669 PolarHBondContact O-N 2.9Å; Y666-R669 PolarHBondContact O-N 3.07Å; R667-R669 PolarHBondContact O-N 2.7Å; R669-A672 PolarHBondContact O-N 2.76Å; R669-Y673 PolarHBondContact O-N 3.37Å
670	I	98.1	Very high	94.2	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-44.1	177.6	-64.7	161.5	0	0	0	110.4	L612 Y666 R667 Y673 S674 I684 L707 L714 Y718	L612-I670 HydrophobicContact CD2-CG1 3.82Å; Y666-I670 VanDerWaalsContact O-CG1 3.27Å; Y666-I670 WeakPolarHBondContact O-CG1 3.24Å; Y666-I670 PolarHBondContact O-N 2.85Å; R667-I670 PolarHBondContact O-N 2.87Å; I670-Y673 PolarHBondContact O-N 2.88Å; I670-S674 WeakPolarHBondContact O-CB 3.31Å; I670-S674 PolarHBondContact O-N 2.89Å; I670-S674 PolarHBondContact O-OG 3.19Å; I670-I684 HydrophobicContact CD1-CD1 4.44Å; I670-L707 HydrophobicContact CD1-CD1 4.38Å; I670-L714 HydrophobicContact CB-CD1 3.91Å; I670-L714 HydrophobicContact CD1-CD1 4.39Å; I670-L714 HydrophobicContact CG2-CD1 3.4Å; I670-Y718 HydrophobicContact CG2-CE1 4.13Å
671	N	97.7	Very high	95.2	Very high	56 Å²	56	54 Å²	54	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-42.4	176.2	-77.5	-21.1	0	0	0	111.8	R667 Y673 S674 N675 L714	R667-N671 WeakPolarHBondContact O-CB 3.31Å; R667-N671 PolarHBondContact O-N 3.31Å; R667-N671 PolarHBondContact O-ND2 2.99Å; N671-Y673 VanDerWaalsContact C-N 3.34Å; N671-Y673 PolarHBondContact O-N 3.16Å; N671-S674 PolarHBondContact O-N 3.13Å; N671-S674 VanDerWaalsContact O-N 3.17Å; N671-N675 VanDerWaalsContact O-CB 3.31Å; N671-N675 WeakPolarHBondContact O-CB 3.49Å; N671-N675 PolarHBondContact O-N 3.34Å; N671-N675 PolarHBondContact O-ND2 2.66Å; N671-N675 PolarHBondContact O-OD1 2.84Å; N671-L714 WeakPolarHBondContact OD1-CD2 3.29Å
672	A	97	Very high	95.9	Very high	27 Å²	27	52.4 Å²	52.4	22%	0.223	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-44.6	177.1	0	0	0	0	0	112	I638 V646 E668 R669 A676	I638-A672 HydrophobicContact CG2-CB 4.09Å; V646-A672 HydrophobicContact CG2-CB 4.22Å; E668-A672 VanDerWaalsContact O-CB 3.32Å; E668-A672 WeakPolarHBondContact O-CB 3.4Å; E668-A672 PolarHBondContact O-N 3.01Å; R669-A672 PolarHBondContact O-N 2.76Å; A672-A676 WeakPolarHBondContact O-CB 3.33Å; A672-A676 PolarHBondContact O-N 2.99Å
673	Y	97.9	Very high	96.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-45.7	173.2	-174.4	-80.3	0	0	0	111.9	N610 L612 N637 R669 I670 N671 N675 A676 N677 P681	N610-Y673 WeakPolarHBondContact CA-OH 3.2Å; N610-Y673 HydrophobicContact CB-CE1 4.23Å; N610-Y673 WeakPolarHBondContact CB-OH 3.37Å; N610-Y673 PolarHBondContact O-OH 2.92Å; L612-Y673 HydrophobicContact CD1-CD2 4.07Å; L612-Y673 HydrophobicContact CD1-CG 4.44Å; N637-Y673 WeakPolarHBondContact O-CD2 3.44Å; R669-Y673 PolarHBondContact O-N 3.37Å; I670-Y673 PolarHBondContact O-N 2.88Å; N671-Y673 VanDerWaalsContact C-N 3.34Å; N671-Y673 PolarHBondContact O-N 3.16Å; Y673-N675 VanDerWaalsContact C-N 3.35Å; Y673-N675 PolarHBondContact O-N 2.72Å; Y673-A676 PolarHBondContact O-N 2.85Å; Y673-N677 WeakPolarHBondContact CD1-ND2 3.43Å; Y673-N677 HydrophobicContact CE1-CB 4.25Å; Y673-N677 WeakPolarHBondContact CE1-ND2 3.31Å; Y673-N677 PolarHBondContact O-N 3.22Å; Y673-N677 PolarHBondContact O-ND2 2.73Å; Y673-P681 HydrophobicContact CD1-CB 4.46Å; Y673-P681 HydrophobicContact CD1-CG 3.55Å; Y673-P681 HydrophobicContact CE1-CB 4.46Å; Y673-P681 HydrophobicContact CE1-CG 4.01Å; Y673-P681 HydrophobicContact CG-CG 3.91Å
674	S	97.1	Very high	96.5	Very high	13 Å²	13	49.5 Å²	49.5	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-41	-176.4	-56.2	0	0	0	0	112	I670 N671 A676 N678 K679	I670-S674 WeakPolarHBondContact O-CB 3.31Å; I670-S674 PolarHBondContact O-N 2.89Å; I670-S674 PolarHBondContact O-OG 3.19Å; N671-S674 PolarHBondContact O-N 3.13Å; N671-S674 VanDerWaalsContact O-N 3.17Å; S674-A676 VanDerWaalsContact C-N 3.34Å; S674-N678 WeakPolarHBondContact O-CA 3.4Å; S674-N678 PolarHBondContact O-N 3.38Å; S674-K679 WeakPolarHBondContact CA-O 3.36Å; S674-K679 PolarHBondContact O-N 3.25Å
675	N	96.7	Very high	96.7	Very high	125 Å²	125	46.2 Å²	46.2	67%	0.668	24%	0.237	S	C	*	.	H	α-helix	trans	-67.4	-34.9	177.7	-66.9	-11.1	0	0	0	111.9	N671 Y673	N671-N675 VanDerWaalsContact O-CB 3.31Å; N671-N675 WeakPolarHBondContact O-CB 3.49Å; N671-N675 PolarHBondContact O-N 3.34Å; N671-N675 PolarHBondContact O-ND2 2.66Å; N671-N675 PolarHBondContact O-OD1 2.84Å; Y673-N675 VanDerWaalsContact C-N 3.35Å; Y673-N675 PolarHBondContact O-N 2.72Å
676	A	95.6	Very high	96.9	Very high	55 Å²	55	46.2 Å²	46.2	46%	0.455	24%	0.237	S	C	.	.	H	α-helix	trans	-76.2	-31.6	179.8	0	0	0	0	0	113.2	I638 A672 Y673 S674	I638-A676 HydrophobicContact CB-CB 4.16Å; I638-A676 WeakPolarHBondContact O-CB 3.36Å; A672-A676 WeakPolarHBondContact O-CB 3.33Å; A672-A676 PolarHBondContact O-N 2.99Å; Y673-A676 PolarHBondContact O-N 2.85Å; S674-A676 VanDerWaalsContact C-N 3.34Å
677	N	95.7	Very high	97	Very high	37 Å²	37	46.2 Å²	46.2	20%	0.198	24%	0.237	C	C	.	.	H	α-helix	trans	-112.6	-1.3	-174	-54.8	-68.2	0	0	0	114.3	I638 V640 Y673 K679	I638-N677 PolarHBondContact O-ND2 2.83Å; V640-N677 HydrophobicContact CG1-CB 4.44Å; Y673-N677 WeakPolarHBondContact CD1-ND2 3.43Å; Y673-N677 HydrophobicContact CE1-CB 4.25Å; Y673-N677 WeakPolarHBondContact CE1-ND2 3.31Å; Y673-N677 PolarHBondContact O-N 3.22Å; Y673-N677 PolarHBondContact O-ND2 2.73Å; N677-K679 PolarHBondContact O-N 3.46Å; N677-K679 VanDerWaalsContact O-N 3.07Å
678	N	94.7	Very high	97	Very high	149 Å²	149	42.8 Å²	42.8	80%	0.797	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	22.7	-171.1	-62.4	-51.8	0	0	0	114.1	S674	S674-N678 WeakPolarHBondContact O-CA 3.4Å; S674-N678 PolarHBondContact O-N 3.38Å
679	K	93.9	Very high	96.8	Very high	129 Å²	129	40.6 Å²	40.6	56%	0.561	21%	0.214	S	C	*	.	S	Bend	trans	-146	138.5	-178.4	-68.5	-176.6	-177	176.5	0	109.9	S674 N677	S674-K679 WeakPolarHBondContact CA-O 3.36Å; S674-K679 PolarHBondContact O-N 3.25Å; N677-K679 PolarHBondContact O-N 3.46Å; N677-K679 VanDerWaalsContact O-N 3.07Å
680	R	95.2	Very high	96.1	Very high	115 Å²	115	41.7 Å²	41.7	43%	0.434	23%	0.233	S	C	.	.			trans	-73.9	145.6	172.3	-66	-172.6	178.7	102	-1.1	110.2	T682 Y718	R680-T682 PolarHBondContact O-N 3.06Å; R680-Y718 HydrophobicContact CB-CE2 3.92Å
681	P	97.5	Very high	95.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.			trans	-56.5	136.5	173.4	-20.1	28.4	0	0	0	111.6	N610 L612 Y673 I684 Y718	N610-P681 VanDerWaalsContact O-CA 3.22Å; N610-P681 WeakPolarHBondContact O-CA 3.13Å; N610-P681 WeakPolarHBondContact O-CB 3.41Å; L612-P681 HydrophobicContact CB-CB 3.66Å; L612-P681 HydrophobicContact CB-CG 3.64Å; L612-P681 HydrophobicContact CD2-CG 3.9Å; L612-P681 HydrophobicContact CG-CG 4.35Å; Y673-P681 HydrophobicContact CD1-CB 4.46Å; Y673-P681 HydrophobicContact CD1-CG 3.55Å; Y673-P681 HydrophobicContact CE1-CB 4.46Å; Y673-P681 HydrophobicContact CE1-CG 4.01Å; Y673-P681 HydrophobicContact CG-CG 3.91Å; P681-I684 HydrophobicContact CB-CG1 4.39Å; P681-Y718 WeakPolarHBondContact CD-OH 3.33Å; P681-Y718 VanDerWaalsContact O-CE2 3.23Å; P681-Y718 WeakPolarHBondContact O-CE2 3.46Å; P681-Y718 PolarHBondContact O-OH 3.46Å
682	T	96.9	Very high	95	Very high	75 Å²	75	41.7 Å²	41.7	46%	0.46	24%	0.237	S	C	.	.	S	Bend	trans	-95.8	-19.9	172.1	72.1	0	0	0	0	112.2	K609 N610 R680 P720 G721	K609-T682 PolarHBondContact O-OG1 3.11Å; N610-T682 PolarHBondContact O-N 2.87Å; R680-T682 PolarHBondContact O-N 3.06Å; T682-P720 WeakPolarHBondContact O-CA 3.06Å; T682-P720 WeakPolarHBondContact O-CB 3.39Å; T682-G721 PolarHBondContact O-N 2.79Å
683	R	97.9	Very high	94.4	Very high	22 Å²	22	44.2 Å²	44.2	8%	0.083	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.3	178.1	171.9	171.2	-70.6	178.7	-6.9	109.6	N605 K609 A611 L612 I685 N792	N605-R683 PolarHBondContact O-NH1 3.27Å; N605-R683 VanDerWaalsContact O-NH1 3.12Å; N605-R683 PolarHBondContact OD1-NH1 2.93Å; K609-R683 HydrophobicContact CB-CB 4.29Å; A611-R683 WeakPolarHBondContact CA-O 3.47Å; A611-R683 HydrophobicContact CB-CB 4.5Å; A611-R683 HydrophobicContact CB-CG 4.43Å; L612-R683 PolarHBondContact N-O 3Å; R683-I685 HydrophobicContact CG-CD1 4.44Å; R683-I685 HydrophobicContact CG-CG1 4.05Å; R683-N792 WeakPolarHBondContact CG-OD1 3.41Å; R683-N792 PolarHBondContact NE-OD1 3.12Å; R683-N792 VanDerWaalsContact NE-OD1 3.12Å
684	I	98.7	Very high	93.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.8	172.5	-56.4	-178.5	0	0	0	108.4	L612 L614 I670 P681 L707 P720 G721 I722 T723	L612-I684 HydrophobicContact CB-CG1 4.37Å; L612-I684 WeakPolarHBondContact O-CA 3.4Å; L614-I684 HydrophobicContact CD1-CG2 3.7Å; L614-I684 HydrophobicContact CG-CG2 4.21Å; I670-I684 HydrophobicContact CD1-CD1 4.44Å; P681-I684 HydrophobicContact CB-CG1 4.39Å; I684-L707 HydrophobicContact CD1-CD1 4.19Å; I684-L707 HydrophobicContact CG2-CD2 4.09Å; I684-P720 HydrophobicContact CD1-CB 4.22Å; I684-P720 HydrophobicContact CD1-CG 3.61Å; I684-P720 HydrophobicContact CG1-CB 4.16Å; I684-P720 HydrophobicContact CG1-CG 4.09Å; I684-G721 PolarHBondContact N-O 3.08Å; I684-I722 HydrophobicContact CB-CG1 4.33Å; I684-I722 CarbonylContact O-C 3.5Å; I684-I722 WeakPolarHBondContact O-CA 3.14Å; I684-T723 PolarHBondContact O-N 2.75Å
685	I	98.7	Very high	93.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116	173.4	-56.2	177.2	0	0	0	107.7	L612 I613 L614 R683 F687 I725 L794 I802	L612-I685 PolarHBondContact O-N 2.73Å; I613-I685 CarbonylContact C-O 3.56Å; I613-I685 WeakPolarHBondContact CA-O 3.47Å; I613-I685 HydrophobicContact CD1-CB 3.87Å; I613-I685 HydrophobicContact CD1-CD1 3.95Å; I613-I685 HydrophobicContact CD1-CG1 4.17Å; L614-I685 PolarHBondContact N-O 2.95Å; R683-I685 HydrophobicContact CG-CD1 4.44Å; R683-I685 HydrophobicContact CG-CG1 4.05Å; I685-F687 HydrophobicContact CG2-CD2 4.26Å; I685-F687 HydrophobicContact CG2-CE2 3.66Å; I685-F687 HydrophobicContact CG2-CZ 4.06Å; I685-I725 HydrophobicContact CG2-CD1 3.89Å; I685-L794 HydrophobicContact CD1-CD1 4.18Å; I685-I802 HydrophobicContact CD1-CD1 3.87Å; I685-I802 HydrophobicContact CD1-CG2 4.29Å
686	L	98.5	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125	-177.3	-174.8	157.4	0	0	0	110.5	L614 V616 Y666 R688 L707 T723 F724 I725	L614-L686 HydrophobicContact CB-CB 4.26Å; L614-L686 HydrophobicContact CB-CG 4.15Å; L614-L686 HydrophobicContact CD1-CD1 4.32Å; V616-L686 HydrophobicContact CG2-CD1 4.1Å; V616-L686 HydrophobicContact CG2-CD2 4.19Å; V616-L686 HydrophobicContact CG2-CG 4.06Å; Y666-L686 HydrophobicContact CE1-CD1 3.82Å; Y666-L686 WeakPolarHBondContact OH-CD1 3.31Å; L686-R688 HydrophobicContact CD2-CB 3.82Å; L686-L707 HydrophobicContact CD1-CD2 4.39Å; L686-T723 PolarHBondContact N-O 3.47Å; L686-F724 HydrophobicContact CD1-CD2 4.29Å; L686-F724 HydrophobicContact CD1-CE2 4.1Å; L686-F724 HydrophobicContact CD2-CD1 4.45Å; L686-F724 HydrophobicContact CD2-CD2 3.87Å; L686-F724 HydrophobicContact CD2-CE1 4.21Å; L686-F724 HydrophobicContact CD2-CE2 3.61Å; L686-F724 HydrophobicContact CD2-CG 4.29Å; L686-F724 HydrophobicContact CD2-CZ 3.79Å; L686-F724 HydrophobicContact CG-CD2 4.49Å; L686-F724 HydrophobicContact CG-CE2 4.44Å; L686-I725 PolarHBondContact O-N 3.4Å
687	F	98.5	Very high	92.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.7	170.4	-66.9	-86.6	0	0	0	110.8	I613 L614 G615 V616 I685 I725 V727 Y785 I802 L806 P820 P822 V823	I613-F687 HydrophobicContact CG2-CD2 4.07Å; I613-F687 HydrophobicContact CG2-CE2 4Å; L614-F687 PolarHBondContact O-N 3.3Å; G615-F687 CarbonylContact C-O 3.6Å; G615-F687 WeakPolarHBondContact CA-O 3.33Å; V616-F687 PolarHBondContact N-O 3.41Å; I685-F687 HydrophobicContact CG2-CD2 4.26Å; I685-F687 HydrophobicContact CG2-CE2 3.66Å; I685-F687 HydrophobicContact CG2-CZ 4.06Å; F687-I725 CarbonylContact C-O 3.59Å; F687-I725 VanDerWaalsContact CA-O 3.28Å; F687-I725 WeakPolarHBondContact CA-O 3.33Å; F687-I725 HydrophobicContact CD1-CB 3.98Å; F687-I725 HydrophobicContact CD1-CD1 4.31Å; F687-I725 HydrophobicContact CD1-CG2 4.08Å; F687-I725 HydrophobicContact CE1-CB 4.19Å; F687-I725 HydrophobicContact CE1-CD1 3.71Å; F687-I725 HydrophobicContact CE1-CG2 4.13Å; F687-I725 HydrophobicContact CZ-CD1 3.92Å; F687-V727 HydrophobicContact CB-CG2 4.14Å; F687-V727 HydrophobicContact CD1-CG2 3.66Å; F687-V727 HydrophobicContact CG-CG2 4.38Å; F687-Y785 HydrophobicContact CD1-CD1 4.49Å; F687-Y785 HydrophobicContact CD1-CE1 4.38Å; F687-Y785 HydrophobicContact CE1-CD1 4.25Å; F687-Y785 HydrophobicContact CE1-CE1 4.14Å; F687-I802 HydrophobicContact CZ-CG2 4.48Å; F687-L806 HydrophobicContact CD2-CD1 4.47Å; F687-L806 HydrophobicContact CE2-CD1 3.54Å; F687-L806 HydrophobicContact CZ-CD1 3.98Å; F687-P820 HydrophobicContact CD1-CG 3.96Å; F687-P820 HydrophobicContact CE1-CG 3.91Å; F687-P820 HydrophobicContact CG-CG 4.35Å; F687-P820 HydrophobicContact CZ-CG 4.28Å; F687-P822 HydrophobicContact CD2-CG 4.36Å; F687-V823 HydrophobicContact CB-CG2 3.36Å; F687-V823 HydrophobicContact CG-CG2 4.19Å
688	R	96.4	Very high	92	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119	179.8	-179.1	64.8	175.9	89.3	4.4	110.7	E657 L686 V691 E703 F724 I725 V726 V727	E657-R688 IonicContact OE2-NH2 3.78Å; L686-R688 HydrophobicContact CD2-CB 3.82Å; R688-V691 HydrophobicContact CG-CG2 3.55Å; R688-E703 WeakPolarHBondContact CD-OE2 3.43Å; R688-E703 IonicContact CZ-OE1 3.77Å; R688-E703 IonicContact NE-OE1 3.94Å; R688-E703 PolarHBondContact NE-OE1 3.23Å; R688-E703 IonicContact NE-OE2 2.63Å; R688-E703 IonicContact NH2-OE1 3.94Å; R688-F724 HydrophobicContact CB-CE1 3.89Å; R688-F724 HydrophobicContact CB-CZ 3.97Å; R688-F724 HydrophobicContact CG-CE1 4.39Å; R688-F724 HydrophobicContact CG-CZ 4.23Å; R688-I725 PolarHBondContact N-O 2.94Å; R688-V726 HydrophobicContact CB-CG2 4.36Å; R688-V726 CarbonylContact O-C 3.49Å; R688-V726 WeakPolarHBondContact O-CA 3.43Å; R688-V727 PolarHBondContact O-N 3.34Å
689	D	92.9	Very high	91.7	Very high	21 Å²	21	40.3 Å²	40.3	11%	0.112	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	150.3	177.8	-159.8	0.5	0	0	0	111.9	V616 D617 V691 V823	V616-D689 PolarHBondContact O-N 3.32Å; D617-D689 HydrophobicContact CB-CB 4.44Å; D689-V691 VanDerWaalsContact C-N 3.34Å; D689-V691 PolarHBondContact O-N 3.04Å; D689-V691 VanDerWaalsContact O-N 3.13Å; D689-V823 HydrophobicContact CB-CG1 3.63Å
690	G	81.5	Confident	91.7	Very high	48 Å²	48	34.7 Å²	34.7	50%	0.495	19%	0.192	S	C	.	.	S	Bend	trans	77.5	0.5	152.5	0	0	0	0	0	118.5	V727	G690-V727 PolarHBondContact N-O 3.43Å; G690-V727 VanDerWaalsContact N-O 3.12Å
691	V	88	Confident	91.5	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	19%	0.191	C	C	.	.			trans	-75.8	134.9	178.8	-176.5	0	0	0	0	110.6	R688 D689 E695 F696 V699 V726 Q728	R688-V691 HydrophobicContact CG-CG2 3.55Å; D689-V691 VanDerWaalsContact C-N 3.34Å; D689-V691 PolarHBondContact O-N 3.04Å; D689-V691 VanDerWaalsContact O-N 3.13Å; V691-E695 HydrophobicContact CG1-CB 3.88Å; V691-F696 HydrophobicContact CG1-CD1 3.9Å; V691-F696 HydrophobicContact CG1-CE1 4.28Å; V691-V699 HydrophobicContact CG1-CB 4.15Å; V691-V699 HydrophobicContact CG1-CG1 4.4Å; V691-V699 HydrophobicContact CG1-CG2 3.82Å; V691-V699 HydrophobicContact CG2-CG1 4.05Å; V691-V699 HydrophobicContact CG2-CG2 4.41Å; V691-V726 HydrophobicContact CB-CG1 4.01Å; V691-V726 HydrophobicContact CB-CG2 4.41Å; V691-Q728 PolarHBondContact O-NE2 3.28Å
692	S	85.5	Confident	91.2	Very high	54 Å²	54	37 Å²	37	38%	0.378	21%	0.208	S	C	.	.			trans	-80.7	152.7	176.1	75.8	0	0	0	0	111.8	G694 E695 F696	S692-G694 PolarHBondContact O-N 3.35Å; S692-E695 WeakPolarHBondContact CB-OE2 3.37Å; S692-E695 PolarHBondContact N-OE2 3.04Å; S692-E695 PolarHBondContact O-N 2.81Å; S692-E695 VanDerWaalsContact OG-CD 3.26Å; S692-E695 PolarHBondContact OG-OE2 3.44Å; S692-F696 WeakPolarHBondContact O-CD1 3.49Å; S692-F696 WeakPolarHBondContact O-CE1 3.4Å
693	E	84.2	Confident	91.1	Very high	81 Å²	81	33.5 Å²	33.5	38%	0.379	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-55.7	-26.9	177.7	-68.1	176.3	178.3	0	0	112.3	E695 F696 K784	E693-E695 PolarHBondContact O-N 2.86Å; E693-F696 HydrophobicContact CB-CE2 4.16Å; E693-F696 HydrophobicContact CB-CZ 4.19Å; E693-F696 HydrophobicContact CG-CE1 4.38Å; E693-F696 HydrophobicContact CG-CE2 3.76Å; E693-F696 HydrophobicContact CG-CZ 3.65Å; E693-K784 IonicContact OE1-NZ 4Å; E693-K784 PolarHBondContact OE1-NZ 2.92Å
694	G	81.3	Confident	90.9	Very high	43 Å²	43	32.5 Å²	32.5	44%	0.443	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-63.8	-26.4	176.4	0	0	0	0	0	114.6	K158 S692	K158-G694 PolarHBondContact NZ-O 3.41Å; S692-G694 PolarHBondContact O-N 3.35Å
695	E	85.8	Confident	90.7	Very high	63 Å²	63	39 Å²	39	29%	0.294	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-107.9	-3.5	-169.2	-64.8	162.3	138.7	0	0	112.6	V691 S692 E693 K697 Q698 V699	V691-E695 HydrophobicContact CG1-CB 3.88Å; S692-E695 WeakPolarHBondContact CB-OE2 3.37Å; S692-E695 PolarHBondContact N-OE2 3.04Å; S692-E695 PolarHBondContact O-N 2.81Å; S692-E695 VanDerWaalsContact OG-CD 3.26Å; S692-E695 PolarHBondContact OG-OE2 3.44Å; E693-E695 PolarHBondContact O-N 2.86Å; E695-K697 PolarHBondContact O-N 2.88Å; E695-Q698 PolarHBondContact O-N 3.05Å; E695-V699 HydrophobicContact CB-CG2 4.14Å; E695-V699 WeakPolarHBondContact O-CG2 3.42Å; E695-V699 PolarHBondContact O-N 2.97Å
696	F	89.5	Confident	90.6	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-51.8	-50.4	-172.7	-76	-1.5	0	0	0	113.6	L18 L152 V691 S692 E693 L700 V726 N786 L788	L18-F696 HydrophobicContact CD1-CB 4.26Å; L152-F696 HydrophobicContact CD1-CD2 4.45Å; V691-F696 HydrophobicContact CG1-CD1 3.9Å; V691-F696 HydrophobicContact CG1-CE1 4.28Å; S692-F696 WeakPolarHBondContact O-CD1 3.49Å; S692-F696 WeakPolarHBondContact O-CE1 3.4Å; E693-F696 HydrophobicContact CB-CE2 4.16Å; E693-F696 HydrophobicContact CB-CZ 4.19Å; E693-F696 HydrophobicContact CG-CE1 4.38Å; E693-F696 HydrophobicContact CG-CE2 3.76Å; E693-F696 HydrophobicContact CG-CZ 3.65Å; F696-L700 WeakPolarHBondContact O-CB 3.28Å; F696-L700 PolarHBondContact O-N 3.36Å; F696-V726 HydrophobicContact CD1-CG2 4.49Å; F696-V726 HydrophobicContact CE1-CB 4.28Å; F696-V726 HydrophobicContact CE1-CG1 3.85Å; F696-V726 HydrophobicContact CE1-CG2 4.35Å; F696-V726 HydrophobicContact CZ-CG1 4.31Å; F696-N786 HydrophobicContact CE2-CB 3.98Å; F696-N786 HydrophobicContact CZ-CB 4.12Å; F696-L788 HydrophobicContact CB-CD1 3.89Å; F696-L788 HydrophobicContact CB-CD2 4.21Å; F696-L788 HydrophobicContact CD1-CD1 4.19Å; F696-L788 HydrophobicContact CD2-CD1 4.46Å; F696-L788 HydrophobicContact CD2-CD2 3.53Å; F696-L788 HydrophobicContact CE2-CD2 3.93Å; F696-L788 HydrophobicContact CG-CD1 3.95Å; F696-L788 HydrophobicContact CG-CD2 3.87Å
697	K	88.2	Confident	90.5	Very high	68 Å²	68	39.5 Å²	39.5	30%	0.296	21%	0.211	S	C	.	.	H	α-helix	trans	-63.2	-46.7	-178.4	-68.9	-170.1	-179.5	-174.2	0	111.8	L18 E695 Q701	L18-K697 HydrophobicContact CD1-CG 3.82Å; L18-K697 HydrophobicContact CD2-CG 4.45Å; L18-K697 HydrophobicContact CG-CG 4.21Å; E695-K697 PolarHBondContact O-N 2.88Å; K697-Q701 WeakPolarHBondContact O-CB 3.24Å; K697-Q701 VanDerWaalsContact O-CG 3.23Å; K697-Q701 WeakPolarHBondContact O-CG 3.11Å; K697-Q701 PolarHBondContact O-N 3.33Å
698	Q	87.7	Confident	90.4	Very high	110 Å²	110	42 Å²	42	51%	0.514	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-50.7	-179.2	-177.3	-176.2	-6.3	0	0	111.1	E695 L700 Q701 E702	E695-Q698 PolarHBondContact O-N 3.05Å; Q698-L700 VanDerWaalsContact C-N 3.34Å; Q698-L700 PolarHBondContact O-N 2.91Å; Q698-Q701 PolarHBondContact O-N 2.9Å; Q698-E702 WeakPolarHBondContact CG-OE1 3.14Å; Q698-E702 PolarHBondContact NE2-OE1 2.89Å; Q698-E702 WeakPolarHBondContact O-CG 3.41Å; Q698-E702 PolarHBondContact O-N 3.32Å
699	V	89.4	Confident	90.4	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-43.7	-179.6	172.8	0	0	0	0	110.6	V691 E695 Q701 E702 E703 F724	V691-V699 HydrophobicContact CG1-CB 4.15Å; V691-V699 HydrophobicContact CG1-CG1 4.4Å; V691-V699 HydrophobicContact CG1-CG2 3.82Å; V691-V699 HydrophobicContact CG2-CG1 4.05Å; V691-V699 HydrophobicContact CG2-CG2 4.41Å; E695-V699 HydrophobicContact CB-CG2 4.14Å; E695-V699 WeakPolarHBondContact O-CG2 3.42Å; E695-V699 PolarHBondContact O-N 2.97Å; V699-Q701 PolarHBondContact O-N 3.29Å; V699-E702 PolarHBondContact O-N 3.07Å; V699-E703 HydrophobicContact CG1-CG 3.89Å; V699-E703 WeakPolarHBondContact CG1-OE1 3.33Å; V699-E703 VanDerWaalsContact O-CB 3.32Å; V699-E703 WeakPolarHBondContact O-CB 3.49Å; V699-E703 VanDerWaalsContact O-CG 3.29Å; V699-E703 WeakPolarHBondContact O-CG 3.4Å; V699-E703 PolarHBondContact O-N 3.44Å; V699-F724 HydrophobicContact CG1-CZ 4.39Å
700	L	92.8	Very high	90.6	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-49.8	176.3	179.5	68.3	0	0	0	111.3	L18 F696 Q698 E702 L704 F724 L788	L18-L700 HydrophobicContact CD2-CD2 3.5Å; F696-L700 WeakPolarHBondContact O-CB 3.28Å; F696-L700 PolarHBondContact O-N 3.36Å; Q698-L700 VanDerWaalsContact C-N 3.34Å; Q698-L700 PolarHBondContact O-N 2.91Å; L700-E702 VanDerWaalsContact C-N 3.33Å; L700-E702 PolarHBondContact O-N 3.16Å; L700-L704 HydrophobicContact CD1-CB 4.08Å; L700-L704 HydrophobicContact CD1-CD2 4.14Å; L700-L704 HydrophobicContact CG-CD2 4.48Å; L700-L704 WeakPolarHBondContact O-CB 3.15Å; L700-L704 PolarHBondContact O-N 2.96Å; L700-F724 HydrophobicContact CD1-CB 3.91Å; L700-F724 HydrophobicContact CD1-CD1 4.08Å; L700-F724 HydrophobicContact CD1-CD2 3.93Å; L700-F724 HydrophobicContact CD1-CE2 4.49Å; L700-F724 HydrophobicContact CD1-CG 3.7Å; L700-L788 HydrophobicContact CB-CD1 4.39Å; L700-L788 HydrophobicContact CD1-CB 4.15Å; L700-L788 HydrophobicContact CD2-CB 4.17Å
701	Q	91.1	Very high	91.4	Very high	88 Å²	88	40.5 Å²	40.5	41%	0.411	20%	0.203	S	C	.	.	H	α-helix	trans	-59	-44.3	-178.2	-77.4	174.7	-6	0	0	112.2	L14 K697 Q698 V699 R705	L14-Q701 HydrophobicContact CD2-CG 4.47Å; K697-Q701 WeakPolarHBondContact O-CB 3.24Å; K697-Q701 VanDerWaalsContact O-CG 3.23Å; K697-Q701 WeakPolarHBondContact O-CG 3.11Å; K697-Q701 PolarHBondContact O-N 3.33Å; Q698-Q701 PolarHBondContact O-N 2.9Å; V699-Q701 PolarHBondContact O-N 3.29Å; Q701-R705 WeakPolarHBondContact O-CB 3.45Å; Q701-R705 PolarHBondContact O-N 2.77Å
702	E	91.2	Very high	91.8	Very high	76 Å²	76	42.7 Å²	42.7	36%	0.355	21%	0.211	S	C	.	.	H	α-helix	trans	-70.9	-52.8	-179.8	-68.7	176.8	-167.9	0	0	111.7	S658 Q698 V699 L700 A706	S658-E702 WeakPolarHBondContact CB-OE2 3.39Å; Q698-E702 WeakPolarHBondContact CG-OE1 3.14Å; Q698-E702 PolarHBondContact NE2-OE1 2.89Å; Q698-E702 WeakPolarHBondContact O-CG 3.41Å; Q698-E702 PolarHBondContact O-N 3.32Å; V699-E702 PolarHBondContact O-N 3.07Å; L700-E702 VanDerWaalsContact C-N 3.33Å; L700-E702 PolarHBondContact O-N 3.16Å; E702-A706 PolarHBondContact O-N 3.16Å; E702-A706 VanDerWaalsContact O-N 3.11Å
703	E	94.5	Very high	92.4	Very high	2 Å²	2	43 Å²	43	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-73.8	-40.7	-172.2	-58.7	-162.7	-176.9	0	0	112.4	L662 R688 V699 R705 A706 L707 F724	L662-E703 HydrophobicContact CD1-CB 3.9Å; L662-E703 HydrophobicContact CD1-CG 3.54Å; R688-E703 WeakPolarHBondContact CD-OE2 3.43Å; R688-E703 IonicContact CZ-OE1 3.77Å; R688-E703 IonicContact NE-OE1 3.94Å; R688-E703 PolarHBondContact NE-OE1 3.23Å; R688-E703 IonicContact NE-OE2 2.63Å; R688-E703 IonicContact NH2-OE1 3.94Å; V699-E703 HydrophobicContact CG1-CG 3.89Å; V699-E703 WeakPolarHBondContact CG1-OE1 3.33Å; V699-E703 VanDerWaalsContact O-CB 3.32Å; V699-E703 WeakPolarHBondContact O-CB 3.49Å; V699-E703 VanDerWaalsContact O-CG 3.29Å; V699-E703 WeakPolarHBondContact O-CG 3.4Å; V699-E703 PolarHBondContact O-N 3.44Å; E703-R705 VanDerWaalsContact C-N 3.35Å; E703-R705 PolarHBondContact O-N 2.96Å; E703-A706 PolarHBondContact O-N 3.19Å; E703-L707 PolarHBondContact O-N 3.18Å; E703-F724 HydrophobicContact CB-CE2 3.85Å; E703-F724 HydrophobicContact CB-CZ 4.24Å; E703-F724 WeakPolarHBondContact OE2-CZ 3.32Å
704	L	95	Very high	92.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-39.6	176.7	-177.7	62	0	0	0	111.3	L14 L700 L707 R708 I722 Y789	L14-L704 HydrophobicContact CD2-CD2 4.27Å; L700-L704 HydrophobicContact CD1-CB 4.08Å; L700-L704 HydrophobicContact CD1-CD2 4.14Å; L700-L704 HydrophobicContact CG-CD2 4.48Å; L700-L704 WeakPolarHBondContact O-CB 3.15Å; L700-L704 PolarHBondContact O-N 2.96Å; L704-L707 PolarHBondContact O-N 3.42Å; L704-R708 WeakPolarHBondContact O-CG 3.33Å; L704-R708 PolarHBondContact O-N 3.33Å; L704-I722 HydrophobicContact CD1-CB 4.28Å; L704-I722 HydrophobicContact CD1-CD1 3.97Å; L704-I722 HydrophobicContact CD1-CG2 3.67Å; L704-Y789 HydrophobicContact CD1-CD1 4.16Å; L704-Y789 HydrophobicContact CD1-CE1 4.43Å; L704-Y789 HydrophobicContact CD2-CD1 3.78Å; L704-Y789 HydrophobicContact CD2-CD2 3.78Å; L704-Y789 HydrophobicContact CD2-CE1 4.01Å; L704-Y789 HydrophobicContact CD2-CE2 4.01Å; L704-Y789 HydrophobicContact CD2-CG 3.68Å
705	R	94.6	Very high	93.5	Very high	138 Å²	138	42.1 Å²	42.1	52%	0.521	20%	0.2	S	C	.	.	H	α-helix	trans	-59.4	-48.7	174.5	177.4	-179.4	173.7	170.4	1.1	110.3	Q701 E703 L707 R708 V709	Q701-R705 WeakPolarHBondContact O-CB 3.45Å; Q701-R705 PolarHBondContact O-N 2.77Å; E703-R705 VanDerWaalsContact C-N 3.35Å; E703-R705 PolarHBondContact O-N 2.96Å; R705-L707 VanDerWaalsContact C-N 3.32Å; R705-L707 PolarHBondContact O-N 3.23Å; R705-R708 PolarHBondContact O-N 3.26Å; R705-V709 HydrophobicContact CG-CG2 4.41Å; R705-V709 VanDerWaalsContact O-CG2 3.32Å; R705-V709 WeakPolarHBondContact O-CG2 3.45Å; R705-V709 PolarHBondContact O-N 3.4Å
706	A	95.8	Very high	94	Very high	10 Å²	10	46.8 Å²	46.8	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-42.8	178.9	0	0	0	0	0	111.9	L662 E663 Y666 E702 E703 R708 V709 A710	L662-A706 HydrophobicContact CB-CB 3.62Å; L662-A706 HydrophobicContact CD1-CB 4.32Å; E663-A706 HydrophobicContact CG-CB 3.78Å; Y666-A706 HydrophobicContact CD2-CB 4.38Å; Y666-A706 HydrophobicContact CE2-CB 4.18Å; E702-A706 PolarHBondContact O-N 3.16Å; E702-A706 VanDerWaalsContact O-N 3.11Å; E703-A706 PolarHBondContact O-N 3.19Å; A706-R708 PolarHBondContact O-N 3.39Å; A706-V709 PolarHBondContact O-N 3.07Å; A706-A710 WeakPolarHBondContact O-CB 3.4Å; A706-A710 PolarHBondContact O-N 2.71Å
707	L	96.7	Very high	94.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-42.9	176.9	-178.8	57.1	0	0	0	112.5	L614 Y666 I670 I684 L686 E703 L704 R705 A710 C711 I722	L614-L707 HydrophobicContact CD1-CD1 4.42Å; Y666-L707 HydrophobicContact CD1-CD1 4.02Å; Y666-L707 VanDerWaalsContact CD2-CA 3.46Å; Y666-L707 HydrophobicContact CD2-CB 3.72Å; Y666-L707 HydrophobicContact CD2-CD1 3.93Å; Y666-L707 HydrophobicContact CD2-CG 4.42Å; Y666-L707 HydrophobicContact CE2-CB 3.73Å; Y666-L707 HydrophobicContact CE2-CD1 4.48Å; Y666-L707 HydrophobicContact CG-CB 4.36Å; Y666-L707 HydrophobicContact CG-CD1 3.67Å; I670-L707 HydrophobicContact CD1-CD1 4.38Å; I684-L707 HydrophobicContact CD1-CD1 4.19Å; I684-L707 HydrophobicContact CG2-CD2 4.09Å; L686-L707 HydrophobicContact CD1-CD2 4.39Å; E703-L707 PolarHBondContact O-N 3.18Å; L704-L707 PolarHBondContact O-N 3.42Å; R705-L707 VanDerWaalsContact C-N 3.32Å; R705-L707 PolarHBondContact O-N 3.23Å; L707-A710 WeakPolarHBondContact O-CB 3.25Å; L707-A710 PolarHBondContact O-N 3.06Å; L707-C711 PolarHBondContact O-N 2.85Å; L707-C711 PolarHBondContact O-SG 3.14Å; L707-I722 HydrophobicContact CD2-CD1 3.83Å; L707-I722 HydrophobicContact CD2-CG1 4.06Å; L707-I722 HydrophobicContact CD2-CG2 3.82Å; L707-I722 HydrophobicContact CG-CD1 3.96Å
708	R	96.5	Very high	94.7	Very high	52 Å²	52	55.2 Å²	55.2	20%	0.196	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-40	176.3	-74.5	176	167	-177.7	-5.6	112.2	L704 R705 A706 C711 R712 I722 Y789 D791	L704-R708 WeakPolarHBondContact O-CG 3.33Å; L704-R708 PolarHBondContact O-N 3.33Å; R705-R708 PolarHBondContact O-N 3.26Å; A706-R708 PolarHBondContact O-N 3.39Å; R708-C711 PolarHBondContact O-N 2.69Å; R708-R712 WeakPolarHBondContact O-CB 3.43Å; R708-R712 PolarHBondContact O-N 2.85Å; R708-I722 HydrophobicContact CG-CD1 4.03Å; R708-Y789 VanDerWaalsContact NH2-CZ 3.31Å; R708-Y789 PolarHBondContact NH2-OH 3.03Å; R708-D791 IonicContact NH2-OD2 3.32Å
709	V	96.8	Very high	95.1	Very high	37 Å²	37	56.6 Å²	56.6	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-44.2	174.7	174	0	0	0	0	110.6	E663 R705 A706 C711 R712 S713	E663-V709 HydrophobicContact CG-CB 4.39Å; E663-V709 HydrophobicContact CG-CG1 4.32Å; E663-V709 VanDerWaalsContact OE2-CG1 3.31Å; E663-V709 WeakPolarHBondContact OE2-CG1 3.31Å; R705-V709 HydrophobicContact CG-CG2 4.41Å; R705-V709 VanDerWaalsContact O-CG2 3.32Å; R705-V709 WeakPolarHBondContact O-CG2 3.45Å; R705-V709 PolarHBondContact O-N 3.4Å; A706-V709 PolarHBondContact O-N 3.07Å; V709-C711 VanDerWaalsContact C-N 3.34Å; V709-C711 PolarHBondContact O-N 2.77Å; V709-R712 PolarHBondContact O-N 2.89Å; V709-S713 WeakPolarHBondContact O-CB 3.44Å; V709-S713 PolarHBondContact O-N 3.05Å
710	A	97.1	Very high	95.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-45.4	174.5	0	0	0	0	0	111.9	E663 R667 A706 L707 S713	E663-A710 VanDerWaalsContact O-CB 3.28Å; E663-A710 WeakPolarHBondContact O-CB 3.38Å; R667-A710 HydrophobicContact CB-CB 4.29Å; A706-A710 WeakPolarHBondContact O-CB 3.4Å; A706-A710 PolarHBondContact O-N 2.71Å; L707-A710 WeakPolarHBondContact O-CB 3.25Å; L707-A710 PolarHBondContact O-N 3.06Å; A710-S713 PolarHBondContact O-N 3.14Å; A710-S713 PolarHBondContact O-OG 3.21Å
711	C	97.8	Very high	95.7	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-51.2	174.9	-64.7	0	0	0	0	111.6	L707 R708 V709 S713 L714 D715 Y718	L707-C711 PolarHBondContact O-N 2.85Å; L707-C711 PolarHBondContact O-SG 3.14Å; R708-C711 PolarHBondContact O-N 2.69Å; V709-C711 VanDerWaalsContact C-N 3.34Å; V709-C711 PolarHBondContact O-N 2.77Å; C711-S713 VanDerWaalsContact C-N 3.26Å; C711-S713 PolarHBondContact O-N 2.75Å; C711-L714 PolarHBondContact O-N 3.4Å; C711-L714 VanDerWaalsContact O-N 3.13Å; C711-D715 PolarHBondContact O-N 2.58Å; C711-Y718 HydrophobicContact CB-CD1 3.56Å; C711-Y718 HydrophobicContact CB-CE1 3.78Å; C711-Y718 HydrophobicContact CB-CG 4.5Å; C711-Y718 WeakPolarHBondContact O-CD1 3.35Å
712	R	96.9	Very high	96.1	Very high	50 Å²	50	53.1 Å²	53.1	19%	0.189	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-32.3	179.2	-85.8	-176.2	-67.7	-115.6	10.7	114.3	R708 V709 L714 D715 K716 R719	R708-R712 WeakPolarHBondContact O-CB 3.43Å; R708-R712 PolarHBondContact O-N 2.85Å; V709-R712 PolarHBondContact O-N 2.89Å; R712-L714 VanDerWaalsContact C-N 3.25Å; R712-L714 PolarHBondContact O-N 2.86Å; R712-D715 WeakPolarHBondContact CA-O 3.32Å; R712-D715 CarbonylContact O-C 3.44Å; R712-D715 VanDerWaalsContact O-C 3.24Å; R712-K716 PolarHBondContact O-N 2.8Å; R712-R719 VanDerWaalsContact CD-NH2 3.34Å
713	S	96.6	Very high	96.4	Very high	60 Å²	60	49.5 Å²	49.5	42%	0.42	22%	0.222	S	C	.	.	H	α-helix	trans	-69.3	-24.5	179.6	71.3	0	0	0	0	112.9	R667 V709 A710 C711	R667-S713 PolarHBondContact NE-OG 2.6Å; V709-S713 WeakPolarHBondContact O-CB 3.44Å; V709-S713 PolarHBondContact O-N 3.05Å; A710-S713 PolarHBondContact O-N 3.14Å; A710-S713 PolarHBondContact O-OG 3.21Å; C711-S713 VanDerWaalsContact C-N 3.26Å; C711-S713 PolarHBondContact O-N 2.75Å
714	L	95.5	Very high	96.6	Very high	40 Å²	40	49.4 Å²	49.4	21%	0.209	22%	0.221	C	C	.	.	H	α-helix	trans	-83.1	-39.2	176.3	-64.4	173.2	0	0	0	112.2	R667 I670 N671 C711 R712	R667-L714 HydrophobicContact CG-CD1 4.35Å; R667-L714 HydrophobicContact CG-CD2 3.64Å; R667-L714 HydrophobicContact CG-CG 4.02Å; I670-L714 HydrophobicContact CB-CD1 3.91Å; I670-L714 HydrophobicContact CD1-CD1 4.39Å; I670-L714 HydrophobicContact CG2-CD1 3.4Å; N671-L714 WeakPolarHBondContact OD1-CD2 3.29Å; C711-L714 PolarHBondContact O-N 3.4Å; C711-L714 VanDerWaalsContact O-N 3.13Å; R712-L714 VanDerWaalsContact C-N 3.25Å; R712-L714 PolarHBondContact O-N 2.86Å
715	D	94.8	Very high	96.8	Very high	66 Å²	66	49.5 Å²	49.5	35%	0.353	22%	0.222	S	C	.	.			trans	-158.3	127.5	173.8	177.5	-19.2	0	0	0	107.7	C711 R712 R717 Y718	C711-D715 PolarHBondContact O-N 2.58Å; R712-D715 WeakPolarHBondContact CA-O 3.32Å; R712-D715 CarbonylContact O-C 3.44Å; R712-D715 VanDerWaalsContact O-C 3.24Å; D715-R717 PolarHBondContact O-N 3.19Å; D715-R717 PolarHBondContact OD1-N 3.04Å; D715-Y718 WeakPolarHBondContact O-CB 3.13Å; D715-Y718 PolarHBondContact O-N 3.19Å
716	K	94.5	Very high	96.9	Very high	161 Å²	161	43 Å²	43	70%	0.7	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.5	-178.7	-68.4	-172.5	179.9	-177.9	0	112.7	R712 R719	R712-K716 PolarHBondContact O-N 2.8Å; K716-R719 VanDerWaalsContact O-CZ 3.23Å; K716-R719 PolarHBondContact O-NH1 3.26Å; K716-R719 PolarHBondContact O-NH2 2.91Å
717	R	95.9	Very high	97	Very high	226 Å²	226	42.5 Å²	42.5	85%	0.853	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-10.7	179.4	-59.3	-175.1	-169.8	-175.1	3.5	113.9	D715 R719	D715-R717 PolarHBondContact O-N 3.19Å; D715-R717 PolarHBondContact OD1-N 3.04Å; R717-R719 PolarHBondContact O-N 3.47Å; R717-R719 VanDerWaalsContact O-N 3.15Å
718	Y	97.3	Very high	96.9	Very high	25 Å²	25	43.6 Å²	43.6	10%	0.098	20%	0.199	C	C	.	.			trans	-71.4	111.3	-177.7	178.1	-126.5	0	0	0	111.3	I670 R680 P681 C711 D715 P720	I670-Y718 HydrophobicContact CG2-CE1 4.13Å; R680-Y718 HydrophobicContact CB-CE2 3.92Å; P681-Y718 WeakPolarHBondContact CD-OH 3.33Å; P681-Y718 VanDerWaalsContact O-CE2 3.23Å; P681-Y718 WeakPolarHBondContact O-CE2 3.46Å; P681-Y718 PolarHBondContact O-OH 3.46Å; C711-Y718 HydrophobicContact CB-CD1 3.56Å; C711-Y718 HydrophobicContact CB-CE1 3.78Å; C711-Y718 HydrophobicContact CB-CG 4.5Å; C711-Y718 WeakPolarHBondContact O-CD1 3.35Å; D715-Y718 WeakPolarHBondContact O-CB 3.13Å; D715-Y718 PolarHBondContact O-N 3.19Å; Y718-P720 HydrophobicContact CE1-CG 4.03Å; Y718-P720 HydrophobicContact CE2-CB 3.97Å; Y718-P720 HydrophobicContact CE2-CG 3.96Å
719	R	96.7	Very high	96.6	Very high	139 Å²	139	44.3 Å²	44.3	53%	0.525	20%	0.203	S	C	.	.			trans	-134.5	73.6	-178.7	-64.2	-67	179.7	-69.5	-13.4	109.6	R712 K716 R717	R712-R719 VanDerWaalsContact CD-NH2 3.34Å; K716-R719 VanDerWaalsContact O-CZ 3.23Å; K716-R719 PolarHBondContact O-NH1 3.26Å; K716-R719 PolarHBondContact O-NH2 2.91Å; R717-R719 PolarHBondContact O-N 3.47Å; R717-R719 VanDerWaalsContact O-N 3.15Å
720	P	97.5	Very high	96.1	Very high	11 Å²	11	53.6 Å²	53.6	7%	0.071	23%	0.234	C	C	.	.			trans	-67	153.6	176.3	31.8	-36	0	0	0	110.3	T682 I684 Y718 I722	T682-P720 WeakPolarHBondContact O-CA 3.06Å; T682-P720 WeakPolarHBondContact O-CB 3.39Å; I684-P720 HydrophobicContact CD1-CB 4.22Å; I684-P720 HydrophobicContact CD1-CG 3.61Å; I684-P720 HydrophobicContact CG1-CB 4.16Å; I684-P720 HydrophobicContact CG1-CG 4.09Å; Y718-P720 HydrophobicContact CE1-CG 4.03Å; Y718-P720 HydrophobicContact CE2-CB 3.97Å; Y718-P720 HydrophobicContact CE2-CG 3.96Å; P720-I722 PolarHBondContact O-N 2.84Å
721	G	97.7	Very high	95.9	Very high	17 Å²	17	55 Å²	55	18%	0.175	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	125.8	171.8	0	0	0	0	0	110.5	T682 I684 N792	T682-G721 PolarHBondContact O-N 2.79Å; I684-G721 PolarHBondContact N-O 3.08Å; G721-N792 PolarHBondContact O-ND2 3.36Å; G721-N792 PolarHBondContact O-OD1 3.07Å
722	I	98.3	Very high	95.7	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.3	-178.8	-61.7	165	0	0	0	110.9	I684 L704 L707 R708 P720 D791	I684-I722 HydrophobicContact CB-CG1 4.33Å; I684-I722 CarbonylContact O-C 3.5Å; I684-I722 WeakPolarHBondContact O-CA 3.14Å; L704-I722 HydrophobicContact CD1-CB 4.28Å; L704-I722 HydrophobicContact CD1-CD1 3.97Å; L704-I722 HydrophobicContact CD1-CG2 3.67Å; L707-I722 HydrophobicContact CD2-CD1 3.83Å; L707-I722 HydrophobicContact CD2-CG1 4.06Å; L707-I722 HydrophobicContact CD2-CG2 3.82Å; L707-I722 HydrophobicContact CG-CD1 3.96Å; R708-I722 HydrophobicContact CG-CD1 4.03Å; P720-I722 PolarHBondContact O-N 2.84Å; I722-D791 PolarHBondContact O-N 2.91Å
723	T	98.6	Very high	95.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.9	165.6	-48.1	0	0	0	0	109.4	I684 L686 I725 V787 Y789 D790 N792 L794	I684-T723 PolarHBondContact O-N 2.75Å; L686-T723 PolarHBondContact N-O 3.47Å; T723-I725 HydrophobicContact CG2-CD1 4.09Å; T723-I725 HydrophobicContact CG2-CG1 3.89Å; T723-V787 HydrophobicContact CG2-CG1 4.01Å; T723-Y789 CarbonylContact C-O 3.48Å; T723-Y789 WeakPolarHBondContact CA-O 3.4Å; T723-D790 WeakPolarHBondContact CB-OD1 3.42Å; T723-D790 HydrophobicContact CG2-CB 4.11Å; T723-D790 WeakPolarHBondContact CG2-OD1 3.47Å; T723-D790 PolarHBondContact OG1-OD1 3.16Å; T723-N792 PolarHBondContact N-ND2 2.88Å; T723-N792 WeakPolarHBondContact OG1-CB 3.4Å; T723-N792 PolarHBondContact OG1-ND2 3.34Å; T723-L794 HydrophobicContact CG2-CD1 4.2Å
724	F	98	Very high	95.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.9	-178.8	-164	-70.3	0	0	0	110.4	L686 R688 V699 L700 E703 V726 L788 Y789	L686-F724 HydrophobicContact CD1-CD2 4.29Å; L686-F724 HydrophobicContact CD1-CE2 4.1Å; L686-F724 HydrophobicContact CD2-CD1 4.45Å; L686-F724 HydrophobicContact CD2-CD2 3.87Å; L686-F724 HydrophobicContact CD2-CE1 4.21Å; L686-F724 HydrophobicContact CD2-CE2 3.61Å; L686-F724 HydrophobicContact CD2-CG 4.29Å; L686-F724 HydrophobicContact CD2-CZ 3.79Å; L686-F724 HydrophobicContact CG-CD2 4.49Å; L686-F724 HydrophobicContact CG-CE2 4.44Å; R688-F724 HydrophobicContact CB-CE1 3.89Å; R688-F724 HydrophobicContact CB-CZ 3.97Å; R688-F724 HydrophobicContact CG-CE1 4.39Å; R688-F724 HydrophobicContact CG-CZ 4.23Å; V699-F724 HydrophobicContact CG1-CZ 4.39Å; L700-F724 HydrophobicContact CD1-CB 3.91Å; L700-F724 HydrophobicContact CD1-CD1 4.08Å; L700-F724 HydrophobicContact CD1-CD2 3.93Å; L700-F724 HydrophobicContact CD1-CE2 4.49Å; L700-F724 HydrophobicContact CD1-CG 3.7Å; E703-F724 HydrophobicContact CB-CE2 3.85Å; E703-F724 HydrophobicContact CB-CZ 4.24Å; E703-F724 WeakPolarHBondContact OE2-CZ 3.32Å; F724-V726 HydrophobicContact CD1-CG2 4.34Å; F724-V726 HydrophobicContact CE1-CG2 3.84Å; F724-L788 HydrophobicContact CD1-CB 4.19Å; F724-L788 HydrophobicContact CD1-CD1 4.19Å; F724-L788 HydrophobicContact CD1-CG 4.36Å; F724-L788 HydrophobicContact CE1-CD1 4.23Å; F724-L788 PolarHBondContact O-N 3.3Å; F724-Y789 PolarHBondContact N-O 3.43Å
725	I	98.4	Very high	95.9	Very high	3 Å²	3	51 Å²	51	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.4	-173.9	-48.6	176.2	0	0	0	109.6	I685 L686 F687 R688 T723 Y785 N786 V787 V799	I685-I725 HydrophobicContact CG2-CD1 3.89Å; L686-I725 PolarHBondContact O-N 3.4Å; F687-I725 CarbonylContact C-O 3.59Å; F687-I725 VanDerWaalsContact CA-O 3.28Å; F687-I725 WeakPolarHBondContact CA-O 3.33Å; F687-I725 HydrophobicContact CD1-CB 3.98Å; F687-I725 HydrophobicContact CD1-CD1 4.31Å; F687-I725 HydrophobicContact CD1-CG2 4.08Å; F687-I725 HydrophobicContact CE1-CB 4.19Å; F687-I725 HydrophobicContact CE1-CD1 3.71Å; F687-I725 HydrophobicContact CE1-CG2 4.13Å; F687-I725 HydrophobicContact CZ-CD1 3.92Å; R688-I725 PolarHBondContact N-O 2.94Å; T723-I725 HydrophobicContact CG2-CD1 4.09Å; T723-I725 HydrophobicContact CG2-CG1 3.89Å; I725-Y785 HydrophobicContact CG2-CD1 3.99Å; I725-N786 CarbonylContact C-O 3.56Å; I725-N786 WeakPolarHBondContact CA-O 3.32Å; I725-V787 HydrophobicContact CG1-CG2 4.3Å; I725-V799 HydrophobicContact CD1-CG1 3.81Å
726	V	97.5	Very high	96	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.3	170.6	174	0	0	0	0	109.9	R688 V691 F696 F724 Q728 Y785 N786 L788	R688-V726 HydrophobicContact CB-CG2 4.36Å; R688-V726 CarbonylContact O-C 3.49Å; R688-V726 WeakPolarHBondContact O-CA 3.43Å; V691-V726 HydrophobicContact CB-CG1 4.01Å; V691-V726 HydrophobicContact CB-CG2 4.41Å; F696-V726 HydrophobicContact CD1-CG2 4.49Å; F696-V726 HydrophobicContact CE1-CB 4.28Å; F696-V726 HydrophobicContact CE1-CG1 3.85Å; F696-V726 HydrophobicContact CE1-CG2 4.35Å; F696-V726 HydrophobicContact CZ-CG1 4.31Å; F724-V726 HydrophobicContact CD1-CG2 4.34Å; F724-V726 HydrophobicContact CE1-CG2 3.84Å; V726-Q728 HydrophobicContact CG1-CG 3.97Å; V726-Y785 CarbonylContact O-C 3.58Å; V726-Y785 WeakPolarHBondContact O-CA 3.18Å; V726-N786 PolarHBondContact N-O 3.36Å; V726-N786 PolarHBondContact O-N 3.5Å; V726-L788 HydrophobicContact CG2-CD1 3.47Å; V726-L788 VanDerWaalsContact CG2-CD1 3.47Å; V726-L788 HydrophobicContact CG2-CG 3.94Å
727	V	98	Very high	96.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.4	176.5	-171.9	0	0	0	0	109.3	F687 R688 G690 A783 Y785 I819 V823	F687-V727 HydrophobicContact CB-CG2 4.14Å; F687-V727 HydrophobicContact CD1-CG2 3.66Å; F687-V727 HydrophobicContact CG-CG2 4.38Å; R688-V727 PolarHBondContact O-N 3.34Å; G690-V727 PolarHBondContact N-O 3.43Å; G690-V727 VanDerWaalsContact N-O 3.12Å; V727-A783 HydrophobicContact CG1-CB 4.18Å; V727-Y785 HydrophobicContact CB-CE1 4.5Å; V727-Y785 HydrophobicContact CG1-CD1 4.45Å; V727-Y785 HydrophobicContact CG1-CE1 4.03Å; V727-Y785 HydrophobicContact CG2-CD1 3.81Å; V727-Y785 HydrophobicContact CG2-CE1 3.73Å; V727-I819 HydrophobicContact CG1-CB 4.28Å; V727-I819 HydrophobicContact CG1-CG2 3.68Å; V727-V823 HydrophobicContact CG2-CG2 4.3Å
728	Q	94.9	Very high	96.3	Very high	24 Å²	24	36.7 Å²	36.7	11%	0.112	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	104.4	179.1	-65.3	172.5	-39.7	0	0	109.6	V691 V726 H731 K784 N786	V691-Q728 PolarHBondContact O-NE2 3.28Å; V726-Q728 HydrophobicContact CG1-CG 3.97Å; Q728-H731 PolarHBondContact O-CD2 3.33Å; Q728-H731 PolarHBondContact O-NE2 3.08Å; Q728-K784 HydrophobicContact CB-CB 4.29Å; Q728-K784 PolarHBondContact N-O 3.23Å; Q728-K784 PolarHBondContact O-N 3.47Å; Q728-N786 PolarHBondContact OE1-ND2 3.35Å; Q728-N786 VanDerWaalsContact OE1-ND2 3.17Å
729	K	89.8	Confident	96.3	Very high	67 Å²	67	38.2 Å²	38.2	29%	0.291	17%	0.168	S	C	.	.			trans	-86.3	-23.2	173.5	-173.8	174.3	175.5	173.5	0	113.2	H731 S818 I819 Y824	K729-H731 PolarHBondContact O-N 3.08Å; K729-S818 VanDerWaalsContact CE-OG 3.27Å; K729-S818 WeakPolarHBondContact CE-OG 3.46Å; K729-S818 PolarHBondContact NZ-OG 2.92Å; K729-I819 HydrophobicContact CB-CG2 4.28Å; K729-I819 HydrophobicContact CD-CG2 4.2Å; K729-Y824 PolarHBondContact NZ-OH 3.36Å
730	R	86.1	Confident	96.2	Very high	232 Å²	232	37 Å²	37	88%	0.875	17%	0.168	S	C	*	.	S	Bend	trans	-98.9	79.8	-174.4	-63.7	-176.8	-172.4	165.3	6.7	110.9
731	H	92.3	Very high	96.1	Very high	29 Å²	29	46.6 Å²	46.6	13%	0.134	20%	0.203	C	C	.	.			trans	-141	-179.8	172.1	61.4	68.3	0	0	0	112.3	Q728 K729 A733 R734 Y769 P782 K784	Q728-H731 PolarHBondContact O-CD2 3.33Å; Q728-H731 PolarHBondContact O-NE2 3.08Å; K729-H731 PolarHBondContact O-N 3.08Å; H731-A733 PolarHBondContact ND1-N 3.02Å; H731-R734 PolarHBondContact O-NH1 2.9Å; H731-R734 PolarHBondContact O-NH2 2.71Å; H731-Y769 AromaticContact CE1-CD1 3.92Å; H731-Y769 AromaticContact CE1-CE1 3.66Å; H731-Y769 AromaticContact NE2-CD1 3.95Å; H731-Y769 AromaticContact NE2-CE1 3.77Å; H731-P782 PolarHBondContact CE1-O 2.83Å; H731-P782 PolarHBondContact NE2-O 2.96Å; H731-K784 PolarHBondContact NE2-N 2.88Å
732	H	94.9	Very high	96.1	Very high	58 Å²	58	48.4 Å²	48.4	27%	0.269	21%	0.207	S	C	.	.			trans	-103.4	-7.5	-172.6	-69.4	-82.7	0	0	0	114.7	N36 F212 N226 D228 R734	N36-H732 PolarHBondContact ND2-O 3.03Å; N36-H732 PolarHBondContact OD1-O 3.12Å; F212-H732 HydrophobicContact CD1-CB 3.58Å; F212-H732 AromaticContact CD1-CD2 3.76Å; F212-H732 AromaticContact CD1-CG 3.35Å; F212-H732 AromaticContact CD1-ND1 3.61Å; F212-H732 AromaticContact CD2-CD2 3.79Å; F212-H732 AromaticContact CD2-CE1 3.63Å; F212-H732 AromaticContact CD2-NE2 3.53Å; F212-H732 HydrophobicContact CE1-CB 3.45Å; F212-H732 VanDerWaalsContact CE1-CB 3.45Å; F212-H732 AromaticContact CE1-CD2 3.44Å; F212-H732 VanDerWaalsContact CE1-CD2 3.44Å; F212-H732 WeakPolarHBondContact CE1-CD2 3.43Å; F212-H732 AromaticContact CE1-CG 3.36Å; F212-H732 AromaticContact CE2-CD2 3.44Å; F212-H732 VanDerWaalsContact CE2-CD2 3.44Å; F212-H732 WeakPolarHBondContact CE2-CD2 3.46Å; F212-H732 AromaticContact CE2-NE2 3.48Å; F212-H732 WeakPolarHBondContact CE2-NE2 3.32Å; F212-H732 HydrophobicContact CG-CB 4.42Å; F212-H732 AromaticContact CG-CD2 3.92Å; F212-H732 AromaticContact CG-CE1 3.63Å; F212-H732 AromaticContact CG-CG 3.73Å; F212-H732 AromaticContact CG-ND1 3.56Å; F212-H732 AromaticContact CG-NE2 3.9Å; F212-H732 HydrophobicContact CZ-CB 4.18Å; F212-H732 AromaticContact CZ-CD2 3.26Å; F212-H732 WeakPolarHBondContact CZ-CD2 3.31Å; F212-H732 AromaticContact CZ-CG 3.73Å; F212-H732 AromaticContact CZ-NE2 3.84Å; N226-H732 PolarHBondContact ND2-O 2.94Å; N226-H732 WeakPolarHBondContact OD1-CA 3.47Å; N226-H732 WeakPolarHBondContact OD1-CB 3.21Å; D228-H732 HydrophobicContact CB-CB 3.95Å; D228-H732 IonicContact OD2-ND1 3.22Å; D228-H732 PolarHBondContact OD2-ND1 2.99Å; H732-R734 PolarHBondContact O-N 3.21Å
733	A	97	Very high	96	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.217	C	C	.	.			trans	-60	128.5	172	0	0	0	0	0	112.4	N36 F37 N226 H731 F735 Y769	N36-A733 WeakPolarHBondContact OD1-CA 3.34Å; F37-A733 HydrophobicContact CE2-CB 3.7Å; F37-A733 HydrophobicContact CZ-CB 4.1Å; N226-A733 PolarHBondContact OD1-N 2.67Å; N226-A733 VanDerWaalsContact OD1-N 3.11Å; H731-A733 PolarHBondContact ND1-N 3.02Å; A733-F735 HydrophobicContact CB-CE2 4.28Å; A733-F735 HydrophobicContact CB-CZ 4.43Å; A733-Y769 HydrophobicContact CB-CD1 4.31Å; A733-Y769 HydrophobicContact CB-CE1 3.58Å
734	R	97.7	Very high	95.9	Very high	5 Å²	5	51.9 Å²	51.9	2%	0.019	23%	0.231	C	C	.	.			trans	-136.9	155.1	176.1	-58.9	-65	176	-90.8	-19.3	108.9	S35 N36 D228 L388 H731 H732 T779 S780	S35-R734 CarbonylContact C-O 3.59Å; S35-R734 WeakPolarHBondContact CA-O 3.48Å; N36-R734 HydrophobicContact CB-CB 4.36Å; N36-R734 PolarHBondContact N-O 2.86Å; N36-R734 PolarHBondContact OD1-N 2.78Å; N36-R734 PolarHBondContact OD1-O 3.4Å; D228-R734 IonicContact OD2-CZ 2.86Å; D228-R734 IonicContact OD2-NE 3.26Å; D228-R734 IonicContact OD2-NH2 3.43Å; D228-R734 PolarHBondContact OD2-NH2 2.88Å; L388-R734 HydrophobicContact CD1-CB 4.25Å; H731-R734 PolarHBondContact O-NH1 2.9Å; H731-R734 PolarHBondContact O-NH2 2.71Å; H732-R734 PolarHBondContact O-N 3.21Å; R734-T779 HydrophobicContact CB-CG2 4.2Å; R734-T779 HydrophobicContact CG-CG2 4.38Å; R734-S780 WeakPolarHBondContact CD-O 3.44Å
735	F	98.2	Very high	95.7	Very high	5 Å²	5	54.5 Å²	54.5	2%	0.022	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.7	-176.6	-52.8	-95.9	0	0	0	110.1	V34 V420 A733 I750 V756 I760 Y769 P782	V34-F735 CarbonylContact O-C 3.48Å; V34-F735 VanDerWaalsContact O-CA 3.31Å; V34-F735 WeakPolarHBondContact O-CA 3.33Å; V420-F735 HydrophobicContact CG2-CD1 4Å; V420-F735 HydrophobicContact CG2-CE1 4.06Å; A733-F735 HydrophobicContact CB-CE2 4.28Å; A733-F735 HydrophobicContact CB-CZ 4.43Å; F735-I750 HydrophobicContact CB-CD1 4.08Å; F735-I750 HydrophobicContact CB-CG2 4.06Å; F735-I750 HydrophobicContact CD2-CD1 4.43Å; F735-I750 HydrophobicContact CG-CD1 4.5Å; F735-V756 HydrophobicContact CD1-CG2 4.25Å; F735-V756 HydrophobicContact CE1-CB 4.27Å; F735-V756 HydrophobicContact CE1-CG1 4.28Å; F735-V756 HydrophobicContact CE1-CG2 3.87Å; F735-V756 HydrophobicContact CZ-CB 4.46Å; F735-V756 HydrophobicContact CZ-CG2 4.32Å; F735-I760 HydrophobicContact CE1-CD1 3.4Å; F735-I760 HydrophobicContact CZ-CD1 3.48Å; F735-I760 VanDerWaalsContact CZ-CD1 3.48Å; F735-Y769 HydrophobicContact CE2-CD1 4.41Å; F735-Y769 HydrophobicContact CE2-CG 4.3Å; F735-Y769 HydrophobicContact CZ-CD1 4.4Å; F735-Y769 HydrophobicContact CZ-CD2 4.1Å; F735-Y769 AromaticContact CZ-CG 3.97Å; F735-Y769 HydrophobicContact CZ-CG 3.97Å; F735-P782 HydrophobicContact CD2-CG 3.61Å; F735-P782 HydrophobicContact CE2-CB 4.21Å; F735-P782 HydrophobicContact CE2-CG 3.75Å
736	M	97.6	Very high	95.4	Very high	41 Å²	41	63.8 Å²	63.8	20%	0.202	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	156.6	164.2	69.4	-177.6	-176.4	0	0	109.5	L33 V34 A384 P385 L388	L33-M736 CarbonylContact C-O 3.21Å; L33-M736 WeakPolarHBondContact CA-O 3.48Å; V34-M736 HydrophobicContact CB-CE 3.59Å; V34-M736 HydrophobicContact CB-CG 3.89Å; V34-M736 HydrophobicContact CG1-CE 3.79Å; V34-M736 HydrophobicContact CG2-CE 3.81Å; V34-M736 PolarHBondContact N-O 2.85Å; V34-M736 PolarHBondContact O-N 2.7Å; A384-M736 HydrophobicContact CB-CB 4.05Å; P385-M736 HydrophobicContact CB-SD 4.13Å; P385-M736 HydrophobicContact CG-SD 4.37Å; L388-M736 HydrophobicContact CB-SD 4.28Å; L388-M736 HydrophobicContact CD2-CB 4.45Å; L388-M736 HydrophobicContact CD2-CE 4.06Å; L388-M736 HydrophobicContact CD2-CG 3.79Å; L388-M736 HydrophobicContact CD2-SD 3.78Å
737	C	98.3	Very high	95.3	Very high	6 Å²	6	64 Å²	64	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	137.4	169	-56.5	0	0	0	0	109.2	D739 E742 A743	C737-D739 WeakPolarHBondContact CB-O 3.25Å; C737-E742 HydrophobicContact CB-CB 4.12Å; C737-A743 HydrophobicContact CB-CB 4.35Å
738	K	97.5	Very high	95.2	Very high	106 Å²	106	67.4 Å²	67.4	46%	0.461	31%	0.313	S	S	.	.	S	Bend	trans	-69.3	-40.5	171.5	-178.8	169.9	172.2	168.1	0	110.9	Q32 V34 E419	Q32-K738 HydrophobicContact CB-CB 3.97Å; Q32-K738 HydrophobicContact CB-CD 4.22Å; Q32-K738 WeakPolarHBondContact O-CB 3.41Å; Q32-K738 PolarHBondContact O-N 2.94Å; V34-K738 HydrophobicContact CG2-CB 4.11Å; V34-K738 HydrophobicContact CG2-CG 4.4Å; E419-K738 WeakPolarHBondContact OE1-CE 3.22Å; E419-K738 IonicContact OE1-NZ 3.94Å; E419-K738 PolarHBondContact OE1-NZ 3.29Å; E419-K738 IonicContact OE2-NZ 3Å; E419-K738 PolarHBondContact OE2-NZ 3.24Å
739	D	97.4	Very high	95.4	Very high	56 Å²	56	66.3 Å²	66.3	30%	0.299	31%	0.307	S	S	.	.	S	Bend	trans	-91.3	115.4	168.5	-172.1	-16.8	0	0	0	109.5	C737 R741 E742	C737-D739 WeakPolarHBondContact CB-O 3.25Å; D739-R741 PolarHBondContact O-N 2.79Å; D739-R741 VanDerWaalsContact OD1-CB 3.31Å; D739-R741 WeakPolarHBondContact OD1-CB 3.46Å; D739-R741 WeakPolarHBondContact OD1-CG 3.29Å; D739-R741 IonicContact OD1-CZ 3.88Å; D739-R741 PolarHBondContact OD1-N 3.41Å; D739-R741 IonicContact OD1-NE 3.36Å; D739-R741 PolarHBondContact OD1-NE 2.76Å; D739-R741 IonicContact OD1-NH2 2.74Å; D739-R741 IonicContact OD2-CZ 3.92Å; D739-R741 VanDerWaalsContact OD2-CZ 3.3Å; D739-R741 IonicContact OD2-NE 3.34Å; D739-R741 PolarHBondContact OD2-NE 3.14Å; D739-R741 VanDerWaalsContact OD2-NE 3.08Å; D739-R741 IonicContact OD2-NH2 3.11Å; D739-R741 PolarHBondContact OD2-NH2 2.51Å; D739-E742 HydrophobicContact CB-CG 4.19Å; D739-E742 WeakPolarHBondContact O-CB 3.33Å; D739-E742 PolarHBondContact O-N 2.85Å; D739-E742 VanDerWaalsContact O-N 3.17Å
740	E	94.4	Very high	95.8	Very high	113 Å²	113	63.3 Å²	63.3	53%	0.528	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-63.4	-20.7	-179.3	-67.5	-162	163.7	0	0	113.1	E742 A743 R748	E740-E742 PolarHBondContact O-N 3.22Å; E740-A743 WeakPolarHBondContact O-CB 3.44Å; E740-A743 PolarHBondContact O-N 3.31Å; E740-R748 IonicContact OE1-NH1 3.71Å; E740-R748 PolarHBondContact OE1-NH1 3.42Å; E740-R748 IonicContact OE2-NH1 3.26Å
741	R	96.6	Very high	96.3	Very high	214 Å²	214	52.8 Å²	52.8	81%	0.808	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-66.5	-23.4	177	-61.7	175.4	-67.3	179.3	2.3	112.9	D739 A743	D739-R741 PolarHBondContact O-N 2.79Å; D739-R741 VanDerWaalsContact OD1-CB 3.31Å; D739-R741 WeakPolarHBondContact OD1-CB 3.46Å; D739-R741 WeakPolarHBondContact OD1-CG 3.29Å; D739-R741 IonicContact OD1-CZ 3.88Å; D739-R741 PolarHBondContact OD1-N 3.41Å; D739-R741 IonicContact OD1-NE 3.36Å; D739-R741 PolarHBondContact OD1-NE 2.76Å; D739-R741 IonicContact OD1-NH2 2.74Å; D739-R741 IonicContact OD2-CZ 3.92Å; D739-R741 VanDerWaalsContact OD2-CZ 3.3Å; D739-R741 IonicContact OD2-NE 3.34Å; D739-R741 PolarHBondContact OD2-NE 3.14Å; D739-R741 VanDerWaalsContact OD2-NE 3.08Å; D739-R741 IonicContact OD2-NH2 3.11Å; D739-R741 PolarHBondContact OD2-NH2 2.51Å; R741-A743 VanDerWaalsContact C-N 3.32Å
742	E	96.7	Very high	96.6	Very high	55 Å²	55	51.6 Å²	51.6	26%	0.257	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-83.3	-11.5	175.4	-63.2	-74.7	-172.7	0	0	112.5	R29 I31 C737 D739 E740 P751	R29-E742 IonicContact CZ-OE1 2.72Å; R29-E742 IonicContact CZ-OE2 3.5Å; R29-E742 IonicContact NH1-OE1 2.76Å; R29-E742 PolarHBondContact NH1-OE1 3.43Å; R29-E742 IonicContact NH1-OE2 2.66Å; R29-E742 PolarHBondContact NH1-OE2 3.22Å; R29-E742 IonicContact NH2-OE1 2.66Å; R29-E742 IonicContact NH2-OE2 3.64Å; R29-E742 PolarHBondContact NH2-OE2 3.27Å; I31-E742 HydrophobicContact CD1-CB 3.84Å; I31-E742 HydrophobicContact CD1-CG 4.26Å; C737-E742 HydrophobicContact CB-CB 4.12Å; D739-E742 HydrophobicContact CB-CG 4.19Å; D739-E742 WeakPolarHBondContact O-CB 3.33Å; D739-E742 PolarHBondContact O-N 2.85Å; D739-E742 VanDerWaalsContact O-N 3.17Å; E740-E742 PolarHBondContact O-N 3.22Å; E742-P751 WeakPolarHBondContact O-CG 3.39Å
743	A	96.9	Very high	96.8	Very high	27 Å²	27	48.9 Å²	48.9	22%	0.223	24%	0.239	C	C	.	.			trans	-76.1	139.3	-175.9	0	0	0	0	0	111.1	C737 E740 R741 R748 N749	C737-A743 HydrophobicContact CB-CB 4.35Å; E740-A743 WeakPolarHBondContact O-CB 3.44Å; E740-A743 PolarHBondContact O-N 3.31Å; R741-A743 VanDerWaalsContact C-N 3.32Å; A743-R748 HydrophobicContact CB-CB 4.05Å; A743-N749 CarbonylContact C-O 3.57Å; A743-N749 WeakPolarHBondContact CA-O 3.48Å
744	V	96.1	Very high	96.8	Very high	49 Å²	49	49 Å²	49	30%	0.297	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-115.1	136.2	-172.6	-163.9	0	0	0	0	113.1	N445 N749 P751	N445-V744 WeakPolarHBondContact ND2-CG1 3.46Å; V744-N749 PolarHBondContact N-O 2.75Å; V744-N749 PolarHBondContact O-N 2.83Å; V744-P751 HydrophobicContact CG2-CB 4.22Å; V744-P751 HydrophobicContact CG2-CG 3.93Å
745	G	93.8	Very high	96.9	Very high	54 Å²	54	48.8 Å²	48.8	56%	0.557	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	-176.8	172.2	0	0	0	0	0	114.2	G747 R748	G745-G747 PolarHBondContact O-N 3.47Å; G745-R748 PolarHBondContact O-N 2.63Å
746	K	92.1	Very high	96.9	Very high	199 Å²	199	48.6 Å²	48.6	87%	0.865	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.2	-177.5	-66.7	-173.1	177.1	-174.2	0	113.6	R748	K746-R748 VanDerWaalsContact C-N 3.25Å; K746-R748 PolarHBondContact O-N 2.81Å
747	G	94.3	Very high	96.9	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.031	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.5	176.8	0	0	0	0	0	114.3	D383 A384 G745 N749	D383-G747 CarbonylContact C-O 3.54Å; D383-G747 WeakPolarHBondContact CA-O 3.44Å; D383-G747 WeakPolarHBondContact CB-O 3.48Å; A384-G747 PolarHBondContact N-O 3.13Å; G745-G747 PolarHBondContact O-N 3.47Å; G747-N749 PolarHBondContact O-N 3.04Å
748	R	97.1	Very high	96.8	Very high	72 Å²	72	48.8 Å²	48.8	27%	0.272	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	48	-175.9	-58.7	-171.8	-68.8	174.7	-7.3	111.6	D383 P385 T386 E740 A743 G745 K746	D383-R748 IonicContact OD1-CZ 3.57Å; D383-R748 VanDerWaalsContact OD1-CZ 3.29Å; D383-R748 IonicContact OD1-NE 3.56Å; D383-R748 PolarHBondContact OD1-NE 3.13Å; D383-R748 VanDerWaalsContact OD1-NE 3.15Å; D383-R748 IonicContact OD1-NH2 2.92Å; D383-R748 PolarHBondContact OD1-NH2 3.49Å; D383-R748 IonicContact OD2-NH2 3.54Å; P385-R748 HydrophobicContact CG-CB 4.24Å; T386-R748 PolarHBondContact OG1-NH2 3.04Å; E740-R748 IonicContact OE1-NH1 3.71Å; E740-R748 PolarHBondContact OE1-NH1 3.42Å; E740-R748 IonicContact OE2-NH1 3.26Å; A743-R748 HydrophobicContact CB-CB 4.05Å; G745-R748 PolarHBondContact O-N 2.63Å; K746-R748 VanDerWaalsContact C-N 3.25Å; K746-R748 PolarHBondContact O-N 2.81Å
749	N	97.9	Very high	96.7	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-85.7	161.1	-172.7	-78.3	-68	0	0	0	112	A743 V744 G747 G775 G778 T779 S780	A743-N749 CarbonylContact C-O 3.57Å; A743-N749 WeakPolarHBondContact CA-O 3.48Å; V744-N749 PolarHBondContact N-O 2.75Å; V744-N749 PolarHBondContact O-N 2.83Å; G747-N749 PolarHBondContact O-N 3.04Å; N749-G775 PolarHBondContact ND2-O 3.26Å; N749-G778 PolarHBondContact ND2-O 3.26Å; N749-G778 PolarHBondContact OD1-O 2.91Å; N749-T779 WeakPolarHBondContact OD1-CA 3.35Å; N749-S780 WeakPolarHBondContact CB-OG 3.48Å; N749-S780 WeakPolarHBondContact OD1-CB 3.32Å; N749-S780 PolarHBondContact OD1-N 3.01Å; N749-S780 PolarHBondContact OD1-OG 2.72Å
750	I	98.1	Very high	96.6	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-59.5	145.9	163.6	61.4	174.4	0	0	0	110.6	L33 F735 T754 C771 P782	L33-I750 HydrophobicContact CD2-CB 4.48Å; L33-I750 HydrophobicContact CD2-CG2 3.62Å; F735-I750 HydrophobicContact CB-CD1 4.08Å; F735-I750 HydrophobicContact CB-CG2 4.06Å; F735-I750 HydrophobicContact CD2-CD1 4.43Å; F735-I750 HydrophobicContact CG-CD1 4.5Å; I750-T754 HydrophobicContact CB-CG2 4.36Å; I750-T754 HydrophobicContact CD1-CG2 3.87Å; I750-C771 HydrophobicContact CD1-CB 3.51Å; I750-C771 HydrophobicContact CG1-CB 4.02Å; I750-P782 HydrophobicContact CD1-CG 3.94Å
751	P	97.9	Very high	96.6	Very high	12 Å²	12	41 Å²	41	8%	0.078	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-60.3	152.4	177.7	-24.6	34.5	0	0	0	113.2	I31 I424 N445 E742 V744 T754	I31-P751 HydrophobicContact CD1-CG 4.34Å; I424-P751 HydrophobicContact CD1-CB 4.12Å; I424-P751 HydrophobicContact CD1-CG 3.83Å; I424-P751 HydrophobicContact CG1-CB 4.47Å; I424-P751 HydrophobicContact CG2-CB 4.5Å; N445-P751 WeakPolarHBondContact OD1-CA 3.46Å; E742-P751 WeakPolarHBondContact O-CG 3.39Å; V744-P751 HydrophobicContact CG2-CB 4.22Å; V744-P751 HydrophobicContact CG2-CG 3.93Å; P751-T754 WeakPolarHBondContact O-CB 3.37Å; P751-T754 PolarHBondContact O-N 3.36Å; P751-T754 PolarHBondContact O-OG1 3.08Å
752	A	98.2	Very high	96.2	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.033	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	140.7	169	0	0	0	0	0	110.1	N445 C771	N445-A752 VanDerWaalsContact C-CB 3.49Å; N445-A752 PolarHBondContact OD1-N 3.35Å; A752-C771 CarbonylContact C-O 3.53Å; A752-C771 VanDerWaalsContact CA-O 3.32Å; A752-C771 WeakPolarHBondContact CA-O 3.38Å
753	G	98.4	Very high	95.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-3.7	-173.3	0	0	0	0	0	113.9	L425 V755 C771 Y804	L425-G753 PolarHBondContact N-O 3.36Å; G753-V755 PolarHBondContact O-N 3.44Å; G753-C771 PolarHBondContact N-O 3.23Å; G753-Y804 PolarHBondContact N-OH 2.93Å
754	T	98.8	Very high	94.8	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	121.7	176.3	-58.6	0	0	0	0	111.1	I31 L33 R423 I750 P751 C771	I31-T754 HydrophobicContact CG2-CG2 4.27Å; L33-T754 HydrophobicContact CD1-CG2 3.56Å; L33-T754 HydrophobicContact CD2-CG2 4.49Å; R423-T754 CarbonylContact O-C 3.24Å; R423-T754 VanDerWaalsContact O-CA 3.26Å; R423-T754 WeakPolarHBondContact O-CA 3.22Å; I750-T754 HydrophobicContact CB-CG2 4.36Å; I750-T754 HydrophobicContact CD1-CG2 3.87Å; P751-T754 WeakPolarHBondContact O-CB 3.37Å; P751-T754 PolarHBondContact O-N 3.36Å; P751-T754 PolarHBondContact O-OG1 3.08Å; T754-C771 PolarHBondContact O-N 3.11Å
755	V	98.8	Very high	94.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.5	173.2	165.1	0	0	0	0	110.5	G422 R423 L425 G753 D757 Y769 L770 Q800	G422-V755 CarbonylContact C-O 3.51Å; G422-V755 WeakPolarHBondContact CA-O 3.44Å; R423-V755 PolarHBondContact N-O 3.38Å; R423-V755 PolarHBondContact O-N 3.38Å; L425-V755 HydrophobicContact CD1-CG2 3.7Å; L425-V755 HydrophobicContact CG-CG2 3.93Å; G753-V755 PolarHBondContact O-N 3.44Å; V755-D757 HydrophobicContact CG1-CB 4.42Å; V755-Y769 CarbonylContact C-O 3.47Å; V755-Y769 VanDerWaalsContact CA-O 3.23Å; V755-Y769 WeakPolarHBondContact CA-O 3.48Å; V755-L770 HydrophobicContact CG2-CB 4.15Å; V755-L770 HydrophobicContact CG2-CD1 3.55Å; V755-L770 HydrophobicContact CG2-CG 4.4Å; V755-Q800 HydrophobicContact CG1-CG 4.34Å
756	V	98.7	Very high	94.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	111.1	167.3	-178.8	0	0	0	0	108.2	L33 V420 F735 I760 Y769	L33-V756 HydrophobicContact CD1-CG2 3.57Å; V420-V756 HydrophobicContact CB-CG1 4.16Å; V420-V756 HydrophobicContact CG2-CG1 4.04Å; V420-V756 HydrophobicContact CG2-CG2 4.21Å; F735-V756 HydrophobicContact CD1-CG2 4.25Å; F735-V756 HydrophobicContact CE1-CB 4.27Å; F735-V756 HydrophobicContact CE1-CG1 4.28Å; F735-V756 HydrophobicContact CE1-CG2 3.87Å; F735-V756 HydrophobicContact CZ-CB 4.46Å; F735-V756 HydrophobicContact CZ-CG2 4.32Å; V756-I760 HydrophobicContact CG1-CD1 4.31Å; V756-I760 HydrophobicContact CG1-CG1 4.05Å; V756-Y769 PolarHBondContact N-O 3.41Å; V756-Y769 PolarHBondContact O-N 3.06Å
757	D	97.8	Very high	94.7	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.078	C	C	.	.			trans	-116.8	4.5	176.5	56.1	-13.3	0	0	0	113.3	Y24 G25 R423 V755 T761 F768 Q800	Y24-D757 WeakPolarHBondContact CD1-O 3.23Å; Y24-D757 WeakPolarHBondContact CE1-O 3.42Å; G25-D757 PolarHBondContact N-OD2 2.88Å; R423-D757 IonicContact CZ-OD2 2.67Å; R423-D757 VanDerWaalsContact NH2-CG 3.3Å; R423-D757 IonicContact NH2-OD1 3.29Å; R423-D757 PolarHBondContact NH2-OD1 3.18Å; R423-D757 IonicContact NH2-OD2 3.85Å; R423-D757 PolarHBondContact NH2-OD2 2.77Å; V755-D757 HydrophobicContact CG1-CB 4.42Å; D757-T761 VanDerWaalsContact C-OG1 3.23Å; D757-T761 PolarHBondContact O-OG1 3.06Å; D757-F768 HydrophobicContact CB-CB 3.87Å; D757-Q800 PolarHBondContact OD2-NE2 2.84Å
758	H	95.7	Very high	94.9	Very high	49 Å²	49	16.1 Å²	16.1	23%	0.227	8%	0.076	C	C	.	.	S	Bend	trans	-117.5	165.5	-179.9	-75	-76.9	0	0	0	113.5	Y24 E219 P421 I760	Y24-H758 AromaticContact CD1-CE1 3.14Å; Y24-H758 WeakPolarHBondContact CD1-CE1 3.21Å; Y24-H758 AromaticContact CD1-CG 3.96Å; Y24-H758 AromaticContact CD1-ND1 3.41Å; Y24-H758 WeakPolarHBondContact CD1-ND1 3.3Å; Y24-H758 AromaticContact CD1-NE2 3.59Å; Y24-H758 AromaticContact CD2-CE1 3.77Å; Y24-H758 AromaticContact CE1-CE1 3.68Å; Y24-H758 AromaticContact CE1-ND1 3.51Å; Y24-H758 AromaticContact CG-CE1 3.19Å; Y24-H758 AromaticContact CG-ND1 3.91Å; Y24-H758 AromaticContact CG-NE2 3.65Å; E219-H758 WeakPolarHBondContact OE2-CA 3.24Å; E219-H758 IonicContact OE2-CG 3.57Å; E219-H758 IonicContact OE2-ND1 3.51Å; E219-H758 PolarHBondContact OE2-ND1 2.88Å; P421-H758 HydrophobicContact CG-CB 3.91Å; H758-I760 PolarHBondContact O-N 2.89Å
759	R	94.3	Very high	94.9	Very high	107 Å²	107	13.4 Å²	13.4	40%	0.404	7%	0.066	S	C	.	.	S	Bend	trans	63.9	-63.1	172.1	-61.4	-65.9	-152.4	-152.6	6.1	114.8	G218 E219 I418 V420	G218-R759 WeakPolarHBondContact CA-O 3.46Å; E219-R759 PolarHBondContact N-O 3.14Å; E219-R759 PolarHBondContact OE2-N 3.29Å; I418-R759 HydrophobicContact CG2-CB 4.49Å; V420-R759 HydrophobicContact CG1-CB 3.89Å; V420-R759 HydrophobicContact CG1-CG 4.39Å
760	I	95.3	Very high	95	Very high	5 Å²	5	13.4 Å²	13.4	3%	0.026	7%	0.066	C	C	.	.	S	Bend	trans	-97.9	-5.7	-172.6	61.6	154.8	0	0	0	113.3	F37 M224 I418 V420 F735 V756 H758 Y769	F37-I760 HydrophobicContact CB-CG2 4.17Å; F37-I760 HydrophobicContact CD1-CG2 4.44Å; F37-I760 HydrophobicContact CD2-CB 4.45Å; F37-I760 HydrophobicContact CD2-CD1 4.24Å; F37-I760 HydrophobicContact CD2-CG2 4.14Å; F37-I760 HydrophobicContact CE2-CB 4.49Å; F37-I760 HydrophobicContact CE2-CD1 3.9Å; F37-I760 HydrophobicContact CG-CG2 4.02Å; F37-I760 HydrophobicContact CZ-CD1 4.44Å; M224-I760 HydrophobicContact CE-CB 4.2Å; M224-I760 WeakPolarHBondContact CE-O 3.15Å; M224-I760 HydrophobicContact SD-CB 4.16Å; M224-I760 HydrophobicContact SD-CG2 4.03Å; I418-I760 HydrophobicContact CG2-CG2 4.19Å; V420-I760 HydrophobicContact CG1-CG1 4.26Å; V420-I760 HydrophobicContact CG1-CG2 3.72Å; F735-I760 HydrophobicContact CE1-CD1 3.4Å; F735-I760 HydrophobicContact CZ-CD1 3.48Å; F735-I760 VanDerWaalsContact CZ-CD1 3.48Å; V756-I760 HydrophobicContact CG1-CD1 4.31Å; V756-I760 HydrophobicContact CG1-CG1 4.05Å; H758-I760 PolarHBondContact O-N 2.89Å; I760-Y769 HydrophobicContact CD1-CD2 3.95Å; I760-Y769 HydrophobicContact CD1-CE2 3.68Å; I760-Y769 HydrophobicContact CG1-CD2 4.48Å; I760-Y769 HydrophobicContact CG1-CE2 4.18Å
761	T	94.6	Very high	95	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-75.5	164.9	169.9	44	0	0	0	0	110.7	G218 E219 D757 D767 Y769	G218-T761 CarbonylContact C-O 3.57Å; G218-T761 WeakPolarHBondContact CA-O 3.15Å; E219-T761 PolarHBondContact N-O 3.28Å; D757-T761 VanDerWaalsContact C-OG1 3.23Å; D757-T761 PolarHBondContact O-OG1 3.06Å; T761-D767 WeakPolarHBondContact CB-OD1 3.01Å; T761-D767 WeakPolarHBondContact CG2-O 3.35Å; T761-Y769 HydrophobicContact CG2-CD2 4.24Å; T761-Y769 HydrophobicContact CG2-CE2 4.37Å
762	S	89.1	Confident	95	Very high	18 Å²	18	12.6 Å²	12.6	13%	0.126	6%	0.061	C	C	.	.			trans	-64.3	149	179.1	70.3	0	0	0	0	111.7	R21 G765 D767	R21-S762 PolarHBondContact NH2-O 3.23Å; S762-G765 WeakPolarHBondContact OG-CA 3.41Å; S762-G765 PolarHBondContact OG-N 3.41Å; S762-G765 VanDerWaalsContact OG-N 3.08Å; S762-G765 PolarHBondContact OG-O 3.13Å; S762-G765 VanDerWaalsContact OG-O 3.12Å; S762-D767 WeakPolarHBondContact CB-OD1 3.43Å; S762-D767 PolarHBondContact N-OD1 3.42Å; S762-D767 PolarHBondContact N-OD2 2.84Å; S762-D767 PolarHBondContact OG-OD1 3.03Å
763	S	83.1	Confident	95	Very high	23 Å²	23	14 Å²	14	16%	0.161	7%	0.067	C	C	.	.	S	Bend	trans	-66.1	-44.7	177.2	-73.9	0	0	0	0	112.5	G218 E219 G220 Y221	G218-S763 PolarHBondContact O-OG 2.84Å; E219-S763 WeakPolarHBondContact CA-OG 3.26Å; G220-S763 PolarHBondContact N-OG 3.4Å; Y221-S763 PolarHBondContact N-OG 2.95Å
764	D	80.3	Confident	94.8	Very high	30 Å²	30	14.7 Å²	14.7	16%	0.16	7%	0.072	C	C	.	.	S	Bend	trans	-109.7	-24.5	-168.2	-67.4	-30.2	0	0	0	113.1	G150 Y221	G150-D764 WeakPolarHBondContact O-CB 3.36Å; Y221-D764 WeakPolarHBondContact CE1-OD2 3.34Å; Y221-D764 PolarHBondContact OH-OD1 3.04Å; Y221-D764 PolarHBondContact OH-OD2 3.12Å
765	G	88.3	Confident	94.5	Very high	3 Å²	3	15.2 Å²	15.2	3%	0.031	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-80.1	153.8	178.8	0	0	0	0	0	112.3	R21 S762 D767	R21-G765 PolarHBondContact NH2-O 3.07Å; S762-G765 WeakPolarHBondContact OG-CA 3.41Å; S762-G765 PolarHBondContact OG-N 3.41Å; S762-G765 VanDerWaalsContact OG-N 3.08Å; S762-G765 PolarHBondContact OG-O 3.13Å; S762-G765 VanDerWaalsContact OG-O 3.12Å; G765-D767 PolarHBondContact O-N 3.09Å
766	Y	95.1	Very high	94.1	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.02	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	78	173.4	-170.5	-177.1	0	0	0	111	R21 P22 V787 L794 N795 S796 V799	R21-Y766 HydrophobicContact CG-CD2 4.29Å; P22-Y766 VanDerWaalsContact CD-CD1 3.45Å; P22-Y766 HydrophobicContact CG-CD1 4.22Å; P22-Y766 HydrophobicContact CG-CE1 3.65Å; P22-Y766 HydrophobicContact CG-CE2 4.31Å; Y766-V787 HydrophobicContact CD1-CB 3.49Å; Y766-V787 VanDerWaalsContact CD1-CB 3.49Å; Y766-V787 HydrophobicContact CD1-CG1 3.75Å; Y766-V787 HydrophobicContact CD1-CG2 3.76Å; Y766-V787 HydrophobicContact CD2-CG2 4.25Å; Y766-V787 HydrophobicContact CE1-CB 4.06Å; Y766-V787 HydrophobicContact CE1-CG1 4.11Å; Y766-V787 HydrophobicContact CE1-CG2 3.89Å; Y766-V787 HydrophobicContact CE2-CG2 4.36Å; Y766-V787 HydrophobicContact CG-CB 3.76Å; Y766-V787 HydrophobicContact CG-CG2 3.93Å; Y766-V787 PolarHBondContact O-N 3.36Å; Y766-L794 PolarHBondContact OH-O 3.07Å; Y766-N795 PolarHBondContact OH-O 2.85Å; Y766-N795 VanDerWaalsContact OH-O 3.09Å; Y766-S796 WeakPolarHBondContact CE2-OG 3.46Å; Y766-S796 WeakPolarHBondContact OH-CA 3.37Å; Y766-S796 PolarHBondContact OH-N 2.91Å; Y766-S796 VanDerWaalsContact OH-N 3.09Å; Y766-V799 HydrophobicContact CE1-CG2 4.46Å; Y766-V799 WeakPolarHBondContact OH-CG2 3.38Å
767	D	96.2	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153.8	-178.4	73	-41.3	0	0	0	114.7	R21 T761 S762 G765 K784 Y785 N786	R21-D767 PolarHBondContact NH1-O 2.87Å; R21-D767 PolarHBondContact NH2-O 2.87Å; R21-D767 IonicContact NH2-OD1 3.8Å; R21-D767 PolarHBondContact NH2-OD1 3.12Å; T761-D767 WeakPolarHBondContact CB-OD1 3.01Å; T761-D767 WeakPolarHBondContact CG2-O 3.35Å; S762-D767 WeakPolarHBondContact CB-OD1 3.43Å; S762-D767 PolarHBondContact N-OD1 3.42Å; S762-D767 PolarHBondContact N-OD2 2.84Å; S762-D767 PolarHBondContact OG-OD1 3.03Å; G765-D767 PolarHBondContact O-N 3.09Å; D767-K784 WeakPolarHBondContact OD2-CE 3.32Å; D767-K784 IonicContact OD2-NZ 3.36Å; D767-K784 PolarHBondContact OD2-NZ 3.25Å; D767-Y785 CarbonylContact C-O 3.43Å; D767-Y785 WeakPolarHBondContact CA-O 3.43Å; D767-Y785 VanDerWaalsContact CB-O 3.31Å; D767-Y785 WeakPolarHBondContact CB-O 3.47Å; D767-N786 HydrophobicContact CB-CB 4.44Å; D767-N786 WeakPolarHBondContact CB-OD1 3.49Å
768	F	98.5	Very high	93.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	156.8	175.1	61.1	-87.7	0	0	0	111.6	D757 L770 K784 Y785 V799 Q800	D757-F768 HydrophobicContact CB-CB 3.87Å; F768-L770 HydrophobicContact CD2-CB 4.24Å; F768-L770 HydrophobicContact CE2-CB 4.16Å; F768-K784 WeakPolarHBondContact O-CA 3.33Å; F768-Y785 HydrophobicContact CD2-CD2 4.04Å; F768-Y785 HydrophobicContact CD2-CG 4.33Å; F768-Y785 HydrophobicContact CE1-CG 4.37Å; F768-Y785 HydrophobicContact CE2-CD1 4.39Å; F768-Y785 AromaticContact CE2-CD2 3.53Å; F768-Y785 HydrophobicContact CE2-CD2 3.53Å; F768-Y785 HydrophobicContact CE2-CE2 4.3Å; F768-Y785 AromaticContact CE2-CG 3.6Å; F768-Y785 HydrophobicContact CE2-CG 3.6Å; F768-Y785 HydrophobicContact CZ-CD1 4.18Å; F768-Y785 HydrophobicContact CZ-CD2 4.07Å; F768-Y785 AromaticContact CZ-CG 3.63Å; F768-Y785 HydrophobicContact CZ-CG 3.63Å; F768-Y785 PolarHBondContact N-O 3.29Å; F768-Y785 PolarHBondContact O-N 3.03Å; F768-V799 HydrophobicContact CE1-CB 4.45Å; F768-V799 HydrophobicContact CE1-CG1 3.72Å; F768-V799 HydrophobicContact CZ-CG1 3.92Å; F768-Q800 HydrophobicContact CD1-CG 4.02Å; F768-Q800 HydrophobicContact CD2-CG 3.8Å; F768-Q800 HydrophobicContact CE1-CG 4.04Å; F768-Q800 HydrophobicContact CE2-CB 4.37Å; F768-Q800 HydrophobicContact CE2-CG 3.82Å; F768-Q800 HydrophobicContact CG-CG 3.91Å; F768-Q800 HydrophobicContact CZ-CG 3.94Å
769	Y	98.7	Very high	93.4	Very high	15 Å²	15	26.5 Å²	26.5	6%	0.059	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	138.1	168.3	-65.9	-87	0	0	0	110	H731 A733 F735 V755 V756 I760 T761 A783 K784	H731-Y769 AromaticContact CE1-CD1 3.92Å; H731-Y769 AromaticContact CE1-CE1 3.66Å; H731-Y769 AromaticContact NE2-CD1 3.95Å; H731-Y769 AromaticContact NE2-CE1 3.77Å; A733-Y769 HydrophobicContact CB-CD1 4.31Å; A733-Y769 HydrophobicContact CB-CE1 3.58Å; F735-Y769 HydrophobicContact CE2-CD1 4.41Å; F735-Y769 HydrophobicContact CE2-CG 4.3Å; F735-Y769 HydrophobicContact CZ-CD1 4.4Å; F735-Y769 HydrophobicContact CZ-CD2 4.1Å; F735-Y769 AromaticContact CZ-CG 3.97Å; F735-Y769 HydrophobicContact CZ-CG 3.97Å; V755-Y769 CarbonylContact C-O 3.47Å; V755-Y769 VanDerWaalsContact CA-O 3.23Å; V755-Y769 WeakPolarHBondContact CA-O 3.48Å; V756-Y769 PolarHBondContact N-O 3.41Å; V756-Y769 PolarHBondContact O-N 3.06Å; I760-Y769 HydrophobicContact CD1-CD2 3.95Å; I760-Y769 HydrophobicContact CD1-CE2 3.68Å; I760-Y769 HydrophobicContact CG1-CD2 4.48Å; I760-Y769 HydrophobicContact CG1-CE2 4.18Å; T761-Y769 HydrophobicContact CG2-CD2 4.24Å; T761-Y769 HydrophobicContact CG2-CE2 4.37Å; Y769-A783 CarbonylContact C-O 3.56Å; Y769-A783 WeakPolarHBondContact CA-O 3.38Å; Y769-K784 HydrophobicContact CD1-CB 3.85Å; Y769-K784 HydrophobicContact CD1-CG 4.24Å; Y769-K784 HydrophobicContact CE1-CB 3.64Å; Y769-K784 HydrophobicContact CE1-CD 4.05Å; Y769-K784 HydrophobicContact CE1-CG 3.88Å
770	L	98.8	Very high	93.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.2	173.6	166.7	66.9	0	0	0	110.4	V755 F768 S772 P782 A783 Y785 Y804	V755-L770 HydrophobicContact CG2-CB 4.15Å; V755-L770 HydrophobicContact CG2-CD1 3.55Å; V755-L770 HydrophobicContact CG2-CG 4.4Å; F768-L770 HydrophobicContact CD2-CB 4.24Å; F768-L770 HydrophobicContact CE2-CB 4.16Å; L770-S772 PolarHBondContact O-N 2.72Å; L770-P782 WeakPolarHBondContact O-CA 3.43Å; L770-A783 PolarHBondContact N-O 3.2Å; L770-A783 PolarHBondContact O-N 3.42Å; L770-Y785 HydrophobicContact CB-CD2 4.16Å; L770-Y785 HydrophobicContact CB-CE2 3.74Å; L770-Y785 HydrophobicContact CD2-CE2 4.14Å; L770-Y785 HydrophobicContact CG-CE2 4.39Å; L770-Y804 HydrophobicContact CD1-CD2 4.15Å; L770-Y804 HydrophobicContact CD1-CG 4.28Å; L770-Y804 HydrophobicContact CD2-CD2 4.45Å
771	C	98.5	Very high	93.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	78.4	169.7	-163.7	0	0	0	0	109.8	I750 A752 G753 T754 H773 P782	I750-C771 HydrophobicContact CD1-CB 3.51Å; I750-C771 HydrophobicContact CG1-CB 4.02Å; A752-C771 CarbonylContact C-O 3.53Å; A752-C771 VanDerWaalsContact CA-O 3.32Å; A752-C771 WeakPolarHBondContact CA-O 3.38Å; G753-C771 PolarHBondContact N-O 3.23Å; T754-C771 PolarHBondContact O-N 3.11Å; C771-H773 PolarHBondContact O-N 3.08Å; C771-P782 HydrophobicContact CB-CB 3.98Å; C771-P782 HydrophobicContact CB-CG 3.8Å
772	S	98.3	Very high	93.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.			trans	-72.5	-11.7	-174.8	55.3	0	0	0	0	114.9	L770 Y804 C807 S816 V817 S818	L770-S772 PolarHBondContact O-N 2.72Å; S772-Y804 WeakPolarHBondContact O-CE2 3.45Å; S772-C807 VanDerWaalsContact CB-SG 3.55Å; S772-S816 WeakPolarHBondContact O-CB 3.43Å; S772-S816 PolarHBondContact O-OG 3.33Å; S772-V817 WeakPolarHBondContact CB-O 3.5Å; S772-V817 PolarHBondContact OG-O 2.58Å; S772-S818 VanDerWaalsContact OG-CA 3.29Å; S772-S818 WeakPolarHBondContact OG-CA 3.46Å; S772-S818 PolarHBondContact OG-O 3.46Å
773	H	97.4	Very high	94.1	Very high	34 Å²	34	25.6 Å²	25.6	16%	0.157	14%	0.135	C	C	.	.	S	Bend	trans	-122.6	153.4	-168.1	62.1	-69.7	0	0	0	112.2	C771 K781 S816 S818	C771-H773 PolarHBondContact O-N 3.08Å; H773-K781 PolarHBondContact CE1-O 3.08Å; H773-S816 WeakPolarHBondContact CB-O 3.39Å; H773-S818 WeakPolarHBondContact ND1-CA 3.5Å; H773-S818 WeakPolarHBondContact ND1-CB 3.41Å
774	A	95.6	Very high	94.8	Very high	14 Å²	14	25.2 Å²	25.2	12%	0.116	13%	0.131	C	C	.	.			trans	-74	125.2	168.6	0	0	0	0	0	111.8	N445 T447 I776	N445-A774 VanDerWaalsContact O-CB 3.31Å; N445-A774 WeakPolarHBondContact O-CB 3.41Å; T447-A774 HydrophobicContact CG2-CB 4.33Å; A774-I776 PolarHBondContact O-N 3.26Å; A774-I776 VanDerWaalsContact O-N 3.14Å
775	G	92.2	Very high	95.7	Very high	14 Å²	14	23.8 Å²	23.8	14%	0.144	12%	0.123	C	C	.	.			trans	-72	97.5	174.7	0	0	0	0	0	113.2	N749 S780	N749-G775 PolarHBondContact ND2-O 3.26Å; G775-S780 VanDerWaalsContact CA-OG 3.24Å; G775-S780 WeakPolarHBondContact CA-OG 3.5Å
776	I	89.7	Confident	96.1	Very high	124 Å²	124	23.9 Å²	23.9	64%	0.636	12%	0.123	S	C	*	.			trans	-67.7	-44.5	-178.6	-61.1	171.7	0	0	0	111.8	A774	A774-I776 PolarHBondContact O-N 3.26Å; A774-I776 VanDerWaalsContact O-N 3.14Å
777	Q	89	Confident	96.2	Very high	135 Å²	135	23.8 Å²	23.8	63%	0.631	12%	0.123	S	C	*	.	S	Bend	trans	-146.2	143.2	-176.2	-176	178.7	-3.2	0	0	110	A381	A381-Q777 HydrophobicContact CB-CG 4.07Å
778	G	93.8	Very high	96.2	Very high	10 Å²	10	23.8 Å²	23.8	10%	0.103	12%	0.123	C	C	.	.	S	Bend	trans	67.4	-158.4	-178.9	0	0	0	0	0	112.3	M382 N749	M382-G778 CarbonylContact O-C 3.6Å; M382-G778 WeakPolarHBondContact O-CA 3.42Å; N749-G778 PolarHBondContact ND2-O 3.26Å; N749-G778 PolarHBondContact OD1-O 2.91Å
779	T	95.6	Very high	96.1	Very high	19 Å²	19	25.2 Å²	25.2	12%	0.117	13%	0.129	C	C	.	.			trans	-91.2	131.4	177.4	-45.9	0	0	0	0	110.8	M382 A384 R387 R734 N749	M382-T779 PolarHBondContact O-N 2.93Å; M382-T779 PolarHBondContact O-OG1 3.37Å; A384-T779 WeakPolarHBondContact CA-OG1 3.25Å; A384-T779 HydrophobicContact CB-CG2 3.7Å; R387-T779 WeakPolarHBondContact CB-OG1 3.46Å; R387-T779 WeakPolarHBondContact CD-OG1 3.49Å; R734-T779 HydrophobicContact CB-CG2 4.2Å; R734-T779 HydrophobicContact CG-CG2 4.38Å; N749-T779 WeakPolarHBondContact OD1-CA 3.35Å
780	S	96	Very high	96	Very high	8 Å²	8	26.1 Å²	26.1	6%	0.056	13%	0.134	C	C	.	.			trans	-64.1	151.2	178.6	-59.2	0	0	0	0	111	R734 N749 G775 P782	R734-S780 WeakPolarHBondContact CD-O 3.44Å; N749-S780 WeakPolarHBondContact CB-OG 3.48Å; N749-S780 WeakPolarHBondContact OD1-CB 3.32Å; N749-S780 PolarHBondContact OD1-N 3.01Å; N749-S780 PolarHBondContact OD1-OG 2.72Å; G775-S780 VanDerWaalsContact CA-OG 3.24Å; G775-S780 WeakPolarHBondContact CA-OG 3.5Å; S780-P782 WeakPolarHBondContact O-CD 3.33Å
781	K	95.9	Very high	95.9	Very high	100 Å²	100	29.4 Å²	29.4	44%	0.435	15%	0.152	S	C	.	.			trans	-115.8	92	175.5	-60.9	-169.4	-179.6	-177.4	0	108.3	H773	H773-K781 PolarHBondContact CE1-O 3.08Å
782	P	97.7	Very high	95.8	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.019	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-56.6	141.7	171.6	-24.6	38.9	0	0	0	108.7	H731 F735 I750 L770 C771 S780	H731-P782 PolarHBondContact CE1-O 2.83Å; H731-P782 PolarHBondContact NE2-O 2.96Å; F735-P782 HydrophobicContact CD2-CG 3.61Å; F735-P782 HydrophobicContact CE2-CB 4.21Å; F735-P782 HydrophobicContact CE2-CG 3.75Å; I750-P782 HydrophobicContact CD1-CG 3.94Å; L770-P782 WeakPolarHBondContact O-CA 3.43Å; C771-P782 HydrophobicContact CB-CB 3.98Å; C771-P782 HydrophobicContact CB-CG 3.8Å; S780-P782 WeakPolarHBondContact O-CD 3.33Å
783	A	98	Very high	95.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	142.1	173.6	0	0	0	0	0	109.3	V727 Y769 L770 Y785 I819	V727-A783 HydrophobicContact CG1-CB 4.18Å; Y769-A783 CarbonylContact C-O 3.56Å; Y769-A783 WeakPolarHBondContact CA-O 3.38Å; L770-A783 PolarHBondContact N-O 3.2Å; L770-A783 PolarHBondContact O-N 3.42Å; A783-Y785 HydrophobicContact CB-CD2 4.46Å; A783-Y785 HydrophobicContact CB-CE2 3.7Å; A783-Y785 WeakPolarHBondContact O-CD2 3.26Å; A783-I819 HydrophobicContact CB-CG2 3.96Å
784	K	97.9	Very high	95.7	Very high	16 Å²	16	34.5 Å²	34.5	7%	0.07	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.5	170.1	-171.6	-178.6	177.1	-178.9	0	109.1	E693 Q728 H731 D767 F768 Y769 N786	E693-K784 IonicContact OE1-NZ 4Å; E693-K784 PolarHBondContact OE1-NZ 2.92Å; Q728-K784 HydrophobicContact CB-CB 4.29Å; Q728-K784 PolarHBondContact N-O 3.23Å; Q728-K784 PolarHBondContact O-N 3.47Å; H731-K784 PolarHBondContact NE2-N 2.88Å; D767-K784 WeakPolarHBondContact OD2-CE 3.32Å; D767-K784 IonicContact OD2-NZ 3.36Å; D767-K784 PolarHBondContact OD2-NZ 3.25Å; F768-K784 WeakPolarHBondContact O-CA 3.33Å; Y769-K784 HydrophobicContact CD1-CB 3.85Å; Y769-K784 HydrophobicContact CD1-CG 4.24Å; Y769-K784 HydrophobicContact CE1-CB 3.64Å; Y769-K784 HydrophobicContact CE1-CD 4.05Å; Y769-K784 HydrophobicContact CE1-CG 3.88Å; K784-N786 VanDerWaalsContact CE-OD1 3.28Å; K784-N786 WeakPolarHBondContact CE-OD1 3.28Å
785	Y	98.5	Very high	95.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132	175.8	-64.4	-103	0	0	0	107.7	F687 I725 V726 V727 D767 F768 L770 A783 P820	F687-Y785 HydrophobicContact CD1-CD1 4.49Å; F687-Y785 HydrophobicContact CD1-CE1 4.38Å; F687-Y785 HydrophobicContact CE1-CD1 4.25Å; F687-Y785 HydrophobicContact CE1-CE1 4.14Å; I725-Y785 HydrophobicContact CG2-CD1 3.99Å; V726-Y785 CarbonylContact O-C 3.58Å; V726-Y785 WeakPolarHBondContact O-CA 3.18Å; V727-Y785 HydrophobicContact CB-CE1 4.5Å; V727-Y785 HydrophobicContact CG1-CD1 4.45Å; V727-Y785 HydrophobicContact CG1-CE1 4.03Å; V727-Y785 HydrophobicContact CG2-CD1 3.81Å; V727-Y785 HydrophobicContact CG2-CE1 3.73Å; D767-Y785 CarbonylContact C-O 3.43Å; D767-Y785 WeakPolarHBondContact CA-O 3.43Å; D767-Y785 VanDerWaalsContact CB-O 3.31Å; D767-Y785 WeakPolarHBondContact CB-O 3.47Å; F768-Y785 HydrophobicContact CD2-CD2 4.04Å; F768-Y785 HydrophobicContact CD2-CG 4.33Å; F768-Y785 HydrophobicContact CE1-CG 4.37Å; F768-Y785 HydrophobicContact CE2-CD1 4.39Å; F768-Y785 AromaticContact CE2-CD2 3.53Å; F768-Y785 HydrophobicContact CE2-CD2 3.53Å; F768-Y785 HydrophobicContact CE2-CE2 4.3Å; F768-Y785 AromaticContact CE2-CG 3.6Å; F768-Y785 HydrophobicContact CE2-CG 3.6Å; F768-Y785 HydrophobicContact CZ-CD1 4.18Å; F768-Y785 HydrophobicContact CZ-CD2 4.07Å; F768-Y785 AromaticContact CZ-CG 3.63Å; F768-Y785 HydrophobicContact CZ-CG 3.63Å; F768-Y785 PolarHBondContact N-O 3.29Å; F768-Y785 PolarHBondContact O-N 3.03Å; L770-Y785 HydrophobicContact CB-CD2 4.16Å; L770-Y785 HydrophobicContact CB-CE2 3.74Å; L770-Y785 HydrophobicContact CD2-CE2 4.14Å; L770-Y785 HydrophobicContact CG-CE2 4.39Å; A783-Y785 HydrophobicContact CB-CD2 4.46Å; A783-Y785 HydrophobicContact CB-CE2 3.7Å; A783-Y785 WeakPolarHBondContact O-CD2 3.26Å; Y785-P820 HydrophobicContact CE1-CG 3.95Å; Y785-P820 WeakPolarHBondContact OH-CD 3.49Å
786	N	97.1	Very high	96.1	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.027	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.9	174	-56.2	-98.5	0	0	0	107.6	F696 I725 V726 Q728 D767 K784 L788	F696-N786 HydrophobicContact CE2-CB 3.98Å; F696-N786 HydrophobicContact CZ-CB 4.12Å; I725-N786 CarbonylContact C-O 3.56Å; I725-N786 WeakPolarHBondContact CA-O 3.32Å; V726-N786 PolarHBondContact N-O 3.36Å; V726-N786 PolarHBondContact O-N 3.5Å; Q728-N786 PolarHBondContact OE1-ND2 3.35Å; Q728-N786 VanDerWaalsContact OE1-ND2 3.17Å; D767-N786 HydrophobicContact CB-CB 4.44Å; D767-N786 WeakPolarHBondContact CB-OD1 3.49Å; K784-N786 VanDerWaalsContact CE-OD1 3.28Å; K784-N786 WeakPolarHBondContact CE-OD1 3.28Å; N786-L788 HydrophobicContact CB-CD2 3.99Å; N786-L788 PolarHBondContact O-N 3.47Å
787	V	97.6	Very high	96.5	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	111.6	171.3	-173.5	0	0	0	0	106.8	A19 T723 I725 Y766 D790 V799	A19-V787 HydrophobicContact CB-CG1 4.46Å; T723-V787 HydrophobicContact CG2-CG1 4.01Å; I725-V787 HydrophobicContact CG1-CG2 4.3Å; Y766-V787 HydrophobicContact CD1-CB 3.49Å; Y766-V787 VanDerWaalsContact CD1-CB 3.49Å; Y766-V787 HydrophobicContact CD1-CG1 3.75Å; Y766-V787 HydrophobicContact CD1-CG2 3.76Å; Y766-V787 HydrophobicContact CD2-CG2 4.25Å; Y766-V787 HydrophobicContact CE1-CB 4.06Å; Y766-V787 HydrophobicContact CE1-CG1 4.11Å; Y766-V787 HydrophobicContact CE1-CG2 3.89Å; Y766-V787 HydrophobicContact CE2-CG2 4.36Å; Y766-V787 HydrophobicContact CG-CB 3.76Å; Y766-V787 HydrophobicContact CG-CG2 3.93Å; Y766-V787 PolarHBondContact O-N 3.36Å; V787-D790 HydrophobicContact CG1-CB 4.03Å; V787-V799 HydrophobicContact CG2-CG1 3.93Å
788	L	95.4	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-25.4	-177.7	-60	-166.6	0	0	0	112.1	L18 A19 F696 L700 F724 V726 N786	L18-L788 HydrophobicContact CD2-CB 4.08Å; L18-L788 HydrophobicContact CD2-CD2 4.4Å; A19-L788 PolarHBondContact N-O 2.98Å; F696-L788 HydrophobicContact CB-CD1 3.89Å; F696-L788 HydrophobicContact CB-CD2 4.21Å; F696-L788 HydrophobicContact CD1-CD1 4.19Å; F696-L788 HydrophobicContact CD2-CD1 4.46Å; F696-L788 HydrophobicContact CD2-CD2 3.53Å; F696-L788 HydrophobicContact CE2-CD2 3.93Å; F696-L788 HydrophobicContact CG-CD1 3.95Å; F696-L788 HydrophobicContact CG-CD2 3.87Å; L700-L788 HydrophobicContact CB-CD1 4.39Å; L700-L788 HydrophobicContact CD1-CB 4.15Å; L700-L788 HydrophobicContact CD2-CB 4.17Å; F724-L788 HydrophobicContact CD1-CB 4.19Å; F724-L788 HydrophobicContact CD1-CD1 4.19Å; F724-L788 HydrophobicContact CD1-CG 4.36Å; F724-L788 HydrophobicContact CE1-CD1 4.23Å; F724-L788 PolarHBondContact O-N 3.3Å; V726-L788 HydrophobicContact CG2-CD1 3.47Å; V726-L788 VanDerWaalsContact CG2-CD1 3.47Å; V726-L788 HydrophobicContact CG2-CG 3.94Å; N786-L788 HydrophobicContact CB-CD2 3.99Å; N786-L788 PolarHBondContact O-N 3.47Å
789	Y	96.6	Very high	97.2	Very high	31 Å²	31	25.3 Å²	25.3	12%	0.122	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	141.9	-176.3	-172.3	-92.5	0	0	0	110.2	L704 R708 T723 F724 D791	L704-Y789 HydrophobicContact CD1-CD1 4.16Å; L704-Y789 HydrophobicContact CD1-CE1 4.43Å; L704-Y789 HydrophobicContact CD2-CD1 3.78Å; L704-Y789 HydrophobicContact CD2-CD2 3.78Å; L704-Y789 HydrophobicContact CD2-CE1 4.01Å; L704-Y789 HydrophobicContact CD2-CE2 4.01Å; L704-Y789 HydrophobicContact CD2-CG 3.68Å; R708-Y789 VanDerWaalsContact NH2-CZ 3.31Å; R708-Y789 PolarHBondContact NH2-OH 3.03Å; T723-Y789 CarbonylContact C-O 3.48Å; T723-Y789 WeakPolarHBondContact CA-O 3.4Å; F724-Y789 PolarHBondContact N-O 3.43Å; Y789-D791 HydrophobicContact CE1-CB 4.33Å; Y789-D791 VanDerWaalsContact CE1-OD1 3.3Å; Y789-D791 WeakPolarHBondContact CE1-OD1 3.39Å; Y789-D791 WeakPolarHBondContact CE1-OD2 3.33Å; Y789-D791 PolarHBondContact OH-OD1 3.31Å
790	D	96.6	Very high	97.3	Very high	33 Å²	33	24.4 Å²	24.4	18%	0.176	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	94.3	-178.2	-170.5	23.4	0	0	0	114.8	T723 V787 N792 S793 L794	T723-D790 WeakPolarHBondContact CB-OD1 3.42Å; T723-D790 HydrophobicContact CG2-CB 4.11Å; T723-D790 WeakPolarHBondContact CG2-OD1 3.47Å; T723-D790 PolarHBondContact OG1-OD1 3.16Å; V787-D790 HydrophobicContact CG1-CB 4.03Å; D790-N792 VanDerWaalsContact C-N 3.26Å; D790-N792 WeakPolarHBondContact OD1-CB 3.35Å; D790-N792 PolarHBondContact OD1-N 2.85Å; D790-S793 PolarHBondContact OD1-N 2.97Å; D790-S793 PolarHBondContact OD2-N 2.91Å; D790-L794 PolarHBondContact OD2-N 3.31Å
791	D	96.8	Very high	97.5	Very high	69 Å²	69	24.8 Å²	24.8	37%	0.369	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.1	168.8	-70.9	-32.6	0	0	0	112.3	R708 I722 Y789 S793	R708-D791 IonicContact NH2-OD2 3.32Å; I722-D791 PolarHBondContact O-N 2.91Å; Y789-D791 HydrophobicContact CE1-CB 4.33Å; Y789-D791 VanDerWaalsContact CE1-OD1 3.3Å; Y789-D791 WeakPolarHBondContact CE1-OD1 3.39Å; Y789-D791 WeakPolarHBondContact CE1-OD2 3.33Å; Y789-D791 PolarHBondContact OH-OD1 3.31Å; D791-S793 VanDerWaalsContact C-N 3.27Å; D791-S793 PolarHBondContact O-N 3.32Å
792	N	96.9	Very high	97.6	Very high	26 Å²	26	20.1 Å²	20.1	14%	0.139	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.8	-175.9	-69.9	-70.5	0	0	0	113	R683 G721 T723 D790 L794	R683-N792 WeakPolarHBondContact CG-OD1 3.41Å; R683-N792 PolarHBondContact NE-OD1 3.12Å; R683-N792 VanDerWaalsContact NE-OD1 3.12Å; G721-N792 PolarHBondContact O-ND2 3.36Å; G721-N792 PolarHBondContact O-OD1 3.07Å; T723-N792 PolarHBondContact N-ND2 2.88Å; T723-N792 WeakPolarHBondContact OG1-CB 3.4Å; T723-N792 PolarHBondContact OG1-ND2 3.34Å; D790-N792 VanDerWaalsContact C-N 3.26Å; D790-N792 WeakPolarHBondContact OD1-CB 3.35Å; D790-N792 PolarHBondContact OD1-N 2.85Å; N792-L794 VanDerWaalsContact C-N 3.28Å; N792-L794 HydrophobicContact CB-CD1 4.33Å; N792-L794 HydrophobicContact CB-CD2 3.84Å; N792-L794 HydrophobicContact CB-CG 3.74Å; N792-L794 PolarHBondContact O-N 3.09Å
793	S	96.2	Very high	97.6	Very high	108 Å²	108	20 Å²	20	76%	0.755	12%	0.115	S	C	*	.			trans	51.1	46.4	-178.7	-55.8	0	0	0	0	112.4	D790 D791 N795	D790-S793 PolarHBondContact OD1-N 2.97Å; D790-S793 PolarHBondContact OD2-N 2.91Å; D791-S793 VanDerWaalsContact C-N 3.27Å; D791-S793 PolarHBondContact O-N 3.32Å; S793-N795 PolarHBondContact O-N 3.25Å
794	L	97	Very high	97.6	Very high	7 Å²	7	20 Å²	20	4%	0.037	12%	0.115	C	C	.	.			trans	-77.1	118.1	179.8	-56.1	-177.3	0	0	0	109.8	I685 T723 Y766 D790 N792 T798 V799 I802	I685-L794 HydrophobicContact CD1-CD1 4.18Å; T723-L794 HydrophobicContact CG2-CD1 4.2Å; Y766-L794 PolarHBondContact OH-O 3.07Å; D790-L794 PolarHBondContact OD2-N 3.31Å; N792-L794 VanDerWaalsContact C-N 3.28Å; N792-L794 HydrophobicContact CB-CD1 4.33Å; N792-L794 HydrophobicContact CB-CD2 3.84Å; N792-L794 HydrophobicContact CB-CG 3.74Å; N792-L794 PolarHBondContact O-N 3.09Å; L794-T798 HydrophobicContact CB-CG2 4.44Å; L794-T798 HydrophobicContact CD2-CG2 4Å; L794-V799 HydrophobicContact CB-CG2 3.36Å; L794-V799 HydrophobicContact CD1-CG2 4.01Å; L794-V799 HydrophobicContact CG-CG2 4.33Å; L794-I802 HydrophobicContact CD1-CD1 4.43Å
795	N	97.7	Very high	97.6	Very high	64 Å²	64	20.5 Å²	20.5	34%	0.342	12%	0.117	S	C	.	.			trans	-66.2	165.8	171.6	68.6	24.4	0	0	0	112.7	D23 Y766 S793 D797 T798 V799	D23-N795 VanDerWaalsContact OD2-CB 3.26Å; D23-N795 WeakPolarHBondContact OD2-CB 3.46Å; Y766-N795 PolarHBondContact OH-O 2.85Å; Y766-N795 VanDerWaalsContact OH-O 3.09Å; S793-N795 PolarHBondContact O-N 3.25Å; N795-D797 VanDerWaalsContact C-N 3.35Å; N795-D797 PolarHBondContact O-N 2.88Å; N795-T798 PolarHBondContact O-N 3.14Å; N795-T798 VanDerWaalsContact O-N 3.11Å; N795-T798 WeakPolarHBondContact OD1-CB 2.77Å; N795-T798 PolarHBondContact OD1-N 3.1Å; N795-T798 PolarHBondContact OD1-OG1 3.41Å; N795-V799 PolarHBondContact O-N 3.46Å
796	S	98.2	Very high	97.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.4	-45.1	-173.9	-68.7	0	0	0	0	112.4	D23 Y766 T798 V799 Q800	D23-S796 PolarHBondContact O-OG 3.37Å; D23-S796 WeakPolarHBondContact OD1-CB 3.09Å; D23-S796 PolarHBondContact OD1-N 2.82Å; D23-S796 PolarHBondContact OD1-OG 2.96Å; Y766-S796 WeakPolarHBondContact CE2-OG 3.46Å; Y766-S796 WeakPolarHBondContact OH-CA 3.37Å; Y766-S796 PolarHBondContact OH-N 2.91Å; Y766-S796 VanDerWaalsContact OH-N 3.09Å; S796-T798 VanDerWaalsContact C-N 3.29Å; S796-T798 PolarHBondContact O-N 3.11Å; S796-V799 PolarHBondContact O-N 2.79Å; S796-Q800 WeakPolarHBondContact O-CB 3.48Å; S796-Q800 WeakPolarHBondContact O-CG 3.4Å; S796-Q800 PolarHBondContact O-N 3.09Å
797	D	98.5	Very high	97.7	Very high	23 Å²	23	20.3 Å²	20.3	12%	0.123	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-39.9	178.8	-76	-40.3	0	0	0	111.6	G25 S26 E27 R423 N795 A801	G25-D797 WeakPolarHBondContact CA-OD1 3.45Å; S26-D797 PolarHBondContact N-OD1 3Å; S26-D797 PolarHBondContact N-OD2 2.91Å; S26-D797 PolarHBondContact OG-OD2 2.87Å; E27-D797 HydrophobicContact CB-CB 4.4Å; E27-D797 WeakPolarHBondContact CB-OD1 3.47Å; E27-D797 HydrophobicContact CG-CB 4.01Å; E27-D797 PolarHBondContact N-OD1 3.34Å; E27-D797 PolarHBondContact N-OD2 3.25Å; R423-D797 IonicContact NH1-OD1 3.45Å; R423-D797 PolarHBondContact NH1-OD1 3.29Å; N795-D797 VanDerWaalsContact C-N 3.35Å; N795-D797 PolarHBondContact O-N 2.88Å; D797-A801 WeakPolarHBondContact O-CB 3.48Å; D797-A801 PolarHBondContact O-N 2.75Å
798	T	98.3	Very high	97.7	Very high	17 Å²	17	20.2 Å²	20.2	10%	0.104	12%	0.115	C	C	.	.	H	α-helix	trans	-67	-49.4	178.9	-59.4	0	0	0	0	111.9	F601 N605 L794 N795 S796 Q800 A801 I802	F601-T798 HydrophobicContact CE2-CG2 4.31Å; F601-T798 HydrophobicContact CZ-CG2 4.29Å; N605-T798 WeakPolarHBondContact OD1-CG2 3.48Å; L794-T798 HydrophobicContact CB-CG2 4.44Å; L794-T798 HydrophobicContact CD2-CG2 4Å; N795-T798 PolarHBondContact O-N 3.14Å; N795-T798 VanDerWaalsContact O-N 3.11Å; N795-T798 WeakPolarHBondContact OD1-CB 2.77Å; N795-T798 PolarHBondContact OD1-N 3.1Å; N795-T798 PolarHBondContact OD1-OG1 3.41Å; S796-T798 VanDerWaalsContact C-N 3.29Å; S796-T798 PolarHBondContact O-N 3.11Å; T798-Q800 VanDerWaalsContact C-N 3.34Å; T798-Q800 PolarHBondContact O-N 2.94Å; T798-A801 PolarHBondContact O-N 3.14Å; T798-I802 HydrophobicContact CG2-CD1 3.74Å; T798-I802 HydrophobicContact CG2-CG1 4.39Å; T798-I802 WeakPolarHBondContact O-CB 3.29Å; T798-I802 VanDerWaalsContact O-CG1 3.27Å; T798-I802 WeakPolarHBondContact O-CG1 3.26Å; T798-I802 PolarHBondContact O-N 2.85Å
799	V	98.5	Very high	97.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-41.9	-179.8	179	0	0	0	0	111.1	I725 Y766 F768 V787 L794 N795 S796 S803	I725-V799 HydrophobicContact CD1-CG1 3.81Å; Y766-V799 HydrophobicContact CE1-CG2 4.46Å; Y766-V799 WeakPolarHBondContact OH-CG2 3.38Å; F768-V799 HydrophobicContact CE1-CB 4.45Å; F768-V799 HydrophobicContact CE1-CG1 3.72Å; F768-V799 HydrophobicContact CZ-CG1 3.92Å; V787-V799 HydrophobicContact CG2-CG1 3.93Å; L794-V799 HydrophobicContact CB-CG2 3.36Å; L794-V799 HydrophobicContact CD1-CG2 4.01Å; L794-V799 HydrophobicContact CG-CG2 4.33Å; N795-V799 PolarHBondContact O-N 3.46Å; S796-V799 PolarHBondContact O-N 2.79Å; V799-S803 VanDerWaalsContact O-CB 3.26Å; V799-S803 WeakPolarHBondContact O-CB 3.37Å; V799-S803 PolarHBondContact O-N 2.99Å; V799-S803 PolarHBondContact O-OG 3.44Å
800	Q	98.8	Very high	97.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-45.7	179.2	-68.6	165.8	12.2	0	0	111.4	L425 V755 D757 F768 S796 T798 S803 Y804	L425-Q800 HydrophobicContact CD1-CB 4.09Å; V755-Q800 HydrophobicContact CG1-CG 4.34Å; D757-Q800 PolarHBondContact OD2-NE2 2.84Å; F768-Q800 HydrophobicContact CD1-CG 4.02Å; F768-Q800 HydrophobicContact CD2-CG 3.8Å; F768-Q800 HydrophobicContact CE1-CG 4.04Å; F768-Q800 HydrophobicContact CE2-CB 4.37Å; F768-Q800 HydrophobicContact CE2-CG 3.82Å; F768-Q800 HydrophobicContact CG-CG 3.91Å; F768-Q800 HydrophobicContact CZ-CG 3.94Å; S796-Q800 WeakPolarHBondContact O-CB 3.48Å; S796-Q800 WeakPolarHBondContact O-CG 3.4Å; S796-Q800 PolarHBondContact O-N 3.09Å; T798-Q800 VanDerWaalsContact C-N 3.34Å; T798-Q800 PolarHBondContact O-N 2.94Å; Q800-S803 PolarHBondContact O-N 3.28Å; Q800-Y804 WeakPolarHBondContact O-CB 3.27Å; Q800-Y804 PolarHBondContact O-N 3.37Å
801	A	98.4	Very high	97.1	Very high	15 Å²	15	19 Å²	19	12%	0.124	11%	0.111	C	C	.	.	H	α-helix	trans	-65.8	-46.1	177.4	0	0	0	0	0	112.2	F601 D797 T798 S803 Y804 Y805	F601-A801 HydrophobicContact CE1-CB 3.84Å; F601-A801 HydrophobicContact CE2-CB 4Å; F601-A801 HydrophobicContact CZ-CB 3.4Å; F601-A801 VanDerWaalsContact CZ-CB 3.4Å; D797-A801 WeakPolarHBondContact O-CB 3.48Å; D797-A801 PolarHBondContact O-N 2.75Å; T798-A801 PolarHBondContact O-N 3.14Å; A801-S803 VanDerWaalsContact C-N 3.32Å; A801-S803 PolarHBondContact O-N 3.28Å; A801-Y804 PolarHBondContact O-N 2.86Å; A801-Y804 VanDerWaalsContact O-N 3.16Å; A801-Y805 WeakPolarHBondContact O-CB 3.35Å; A801-Y805 WeakPolarHBondContact O-CD1 3.49Å; A801-Y805 PolarHBondContact O-N 3.47Å
802	I	98.3	Very high	96.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-57.3	-47.6	175.4	-70.3	170.4	0	0	0	110.3	F601 N605 L606 I685 F687 L794 T798 Y804 Y805 L806	F601-I802 HydrophobicContact CE1-CG1 4.15Å; F601-I802 HydrophobicContact CZ-CG1 4Å; N605-I802 HydrophobicContact CB-CD1 4.09Å; N605-I802 HydrophobicContact CB-CG1 4.49Å; L606-I802 HydrophobicContact CD2-CD1 4.47Å; L606-I802 HydrophobicContact CD2-CG1 4.46Å; L606-I802 HydrophobicContact CD2-CG2 4.35Å; I685-I802 HydrophobicContact CD1-CD1 3.87Å; I685-I802 HydrophobicContact CD1-CG2 4.29Å; F687-I802 HydrophobicContact CZ-CG2 4.48Å; L794-I802 HydrophobicContact CD1-CD1 4.43Å; T798-I802 HydrophobicContact CG2-CD1 3.74Å; T798-I802 HydrophobicContact CG2-CG1 4.39Å; T798-I802 WeakPolarHBondContact O-CB 3.29Å; T798-I802 VanDerWaalsContact O-CG1 3.27Å; T798-I802 WeakPolarHBondContact O-CG1 3.26Å; T798-I802 PolarHBondContact O-N 2.85Å; I802-Y804 VanDerWaalsContact C-N 3.29Å; I802-Y804 PolarHBondContact O-N 3.47Å; I802-Y805 PolarHBondContact O-N 3.29Å; I802-L806 HydrophobicContact CG2-CD1 3.69Å; I802-L806 HydrophobicContact CG2-CG 4.26Å; I802-L806 WeakPolarHBondContact O-CB 3.08Å; I802-L806 VanDerWaalsContact O-CG 3.26Å; I802-L806 WeakPolarHBondContact O-CG 3.4Å; I802-L806 PolarHBondContact O-N 3.47Å
803	S	98.6	Very high	96.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.7	-41.7	178.9	-61.4	0	0	0	0	111.7	V799 Q800 A801 C807	V799-S803 VanDerWaalsContact O-CB 3.26Å; V799-S803 WeakPolarHBondContact O-CB 3.37Å; V799-S803 PolarHBondContact O-N 2.99Å; V799-S803 PolarHBondContact O-OG 3.44Å; Q800-S803 PolarHBondContact O-N 3.28Å; A801-S803 VanDerWaalsContact C-N 3.32Å; A801-S803 PolarHBondContact O-N 3.28Å; S803-C807 PolarHBondContact O-SG 2.87Å
804	Y	98.6	Very high	96.4	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-71.2	-41.4	177	-172.3	-142.7	0	0	0	113.2	L425 P427 G753 L770 S772 Q800 A801 I802 L806 C807 H808	L425-Y804 HydrophobicContact CB-CD1 3.72Å; L425-Y804 HydrophobicContact CB-CE1 4.01Å; L425-Y804 HydrophobicContact CD1-CD1 4.18Å; L425-Y804 HydrophobicContact CD1-CG 4.45Å; P427-Y804 HydrophobicContact CB-CE1 4.23Å; G753-Y804 PolarHBondContact N-OH 2.93Å; L770-Y804 HydrophobicContact CD1-CD2 4.15Å; L770-Y804 HydrophobicContact CD1-CG 4.28Å; L770-Y804 HydrophobicContact CD2-CD2 4.45Å; S772-Y804 WeakPolarHBondContact O-CE2 3.45Å; Q800-Y804 WeakPolarHBondContact O-CB 3.27Å; Q800-Y804 PolarHBondContact O-N 3.37Å; A801-Y804 PolarHBondContact O-N 2.86Å; A801-Y804 VanDerWaalsContact O-N 3.16Å; I802-Y804 VanDerWaalsContact C-N 3.29Å; I802-Y804 PolarHBondContact O-N 3.47Å; Y804-L806 PolarHBondContact O-N 3.37Å; Y804-C807 VanDerWaalsContact O-CB 3.26Å; Y804-C807 WeakPolarHBondContact O-CB 3.44Å; Y804-C807 PolarHBondContact O-N 2.93Å; Y804-C807 VanDerWaalsContact O-N 3.08Å; Y804-H808 AromaticContact CD2-CE1 3.75Å; Y804-H808 AromaticContact CE2-CE1 3.38Å; Y804-H808 WeakPolarHBondContact CE2-CE1 3.49Å; Y804-H808 AromaticContact CZ-CE1 3.54Å; Y804-H808 PolarHBondContact O-CE1 3.28Å; Y804-H808 PolarHBondContact O-ND1 3.41Å
805	Y	98	Very high	96.4	Very high	26 Å²	26	19.2 Å²	19.2	10%	0.102	9%	0.093	C	C	.	.	H	α-helix	trans	-66.2	-42.2	-177.6	-79	26.7	0	0	0	110.6	P428 L596 F601 V602 A801 I802 C807 H808	P428-Y805 HydrophobicContact CB-CD1 3.88Å; P428-Y805 HydrophobicContact CB-CD2 3.69Å; P428-Y805 HydrophobicContact CB-CE1 3.98Å; P428-Y805 HydrophobicContact CB-CE2 3.78Å; P428-Y805 HydrophobicContact CB-CG 3.72Å; P428-Y805 HydrophobicContact CG-CD1 4.01Å; P428-Y805 HydrophobicContact CG-CD2 4.48Å; P428-Y805 HydrophobicContact CG-CE1 4.41Å; P428-Y805 HydrophobicContact CG-CG 4.03Å; L596-Y805 HydrophobicContact CD1-CD2 4.49Å; F601-Y805 HydrophobicContact CD1-CD2 4.15Å; F601-Y805 AromaticContact CD1-CE2 3.76Å; F601-Y805 HydrophobicContact CD1-CE2 3.76Å; F601-Y805 HydrophobicContact CE1-CD2 4.21Å; F601-Y805 HydrophobicContact CE1-CE2 4.17Å; V602-Y805 HydrophobicContact CG2-CD2 3.91Å; V602-Y805 HydrophobicContact CG2-CE2 3.96Å; A801-Y805 WeakPolarHBondContact O-CB 3.35Å; A801-Y805 WeakPolarHBondContact O-CD1 3.49Å; A801-Y805 PolarHBondContact O-N 3.47Å; I802-Y805 PolarHBondContact O-N 3.29Å; Y805-C807 PolarHBondContact O-N 3.09Å; Y805-C807 VanDerWaalsContact O-N 3.11Å; Y805-H808 WeakPolarHBondContact O-CB 3.32Å; Y805-H808 PolarHBondContact O-N 3.31Å
806	L	98	Very high	96.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.1	175.5	-67.5	173.3	0	0	0	113.6	I613 F687 I802 Y804 H808 V809 P820 A821	I613-L806 HydrophobicContact CG2-CD1 3.68Å; I613-L806 HydrophobicContact CG2-CD2 4.48Å; F687-L806 HydrophobicContact CD2-CD1 4.47Å; F687-L806 HydrophobicContact CE2-CD1 3.54Å; F687-L806 HydrophobicContact CZ-CD1 3.98Å; I802-L806 HydrophobicContact CG2-CD1 3.69Å; I802-L806 HydrophobicContact CG2-CG 4.26Å; I802-L806 WeakPolarHBondContact O-CB 3.08Å; I802-L806 VanDerWaalsContact O-CG 3.26Å; I802-L806 WeakPolarHBondContact O-CG 3.4Å; I802-L806 PolarHBondContact O-N 3.47Å; Y804-L806 PolarHBondContact O-N 3.37Å; L806-H808 VanDerWaalsContact C-N 3.26Å; L806-V809 HydrophobicContact CD2-CG2 4.29Å; L806-V809 WeakPolarHBondContact O-CG2 3.47Å; L806-P820 HydrophobicContact CB-CB 3.88Å; L806-A821 VanDerWaalsContact O-CB 3.26Å; L806-A821 WeakPolarHBondContact O-CB 3.37Å; L806-A821 PolarHBondContact O-N 2.81Å
807	C	98.1	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.1	170.7	-66.3	0	0	0	0	113.1	S772 S803 Y804 Y805 S816 V817	S772-C807 VanDerWaalsContact CB-SG 3.55Å; S803-C807 PolarHBondContact O-SG 2.87Å; Y804-C807 VanDerWaalsContact O-CB 3.26Å; Y804-C807 WeakPolarHBondContact O-CB 3.44Å; Y804-C807 PolarHBondContact O-N 2.93Å; Y804-C807 VanDerWaalsContact O-N 3.08Å; Y805-C807 PolarHBondContact O-N 3.09Å; Y805-C807 VanDerWaalsContact O-N 3.11Å; C807-S816 WeakPolarHBondContact CB-OG 3.48Å; C807-S816 WeakPolarHBondContact O-CA 3.29Å; C807-V817 HydrophobicContact CB-CG2 4.37Å; C807-V817 VanDerWaalsContact CB-O 3.31Å; C807-V817 WeakPolarHBondContact CB-O 3.46Å; C807-V817 VanDerWaalsContact O-CG2 3.24Å; C807-V817 WeakPolarHBondContact O-CG2 3.31Å; C807-V817 PolarHBondContact O-N 3.27Å
808	H	97.3	Very high	96.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-16	-179	-62.6	76.1	0	0	0	113.4	P428 L430 W448 Y804 Y805 L806 Y810 S816	P428-H808 VanDerWaalsContact CD-CE1 3.4Å; P428-H808 WeakPolarHBondContact CD-CE1 3.38Å; P428-H808 WeakPolarHBondContact CD-ND1 3.4Å; P428-H808 HydrophobicContact CG-CB 3.84Å; L430-H808 HydrophobicContact CD2-CB 4.07Å; W448-H808 HydrophobicContact CH2-CB 4.23Å; W448-H808 AromaticContact CZ3-CD2 3.68Å; Y804-H808 AromaticContact CD2-CE1 3.75Å; Y804-H808 AromaticContact CE2-CE1 3.38Å; Y804-H808 WeakPolarHBondContact CE2-CE1 3.49Å; Y804-H808 AromaticContact CZ-CE1 3.54Å; Y804-H808 PolarHBondContact O-CE1 3.28Å; Y804-H808 PolarHBondContact O-ND1 3.41Å; Y805-H808 WeakPolarHBondContact O-CB 3.32Å; Y805-H808 PolarHBondContact O-N 3.31Å; L806-H808 VanDerWaalsContact C-N 3.26Å; H808-Y810 VanDerWaalsContact C-N 3.29Å; H808-Y810 PolarHBondContact O-N 3.41Å; H808-S816 PolarHBondContact CE1-OG 2.83Å
809	V	94.4	Very high	96.2	Very high	8 Å²	8	15.5 Å²	15.5	5%	0.048	7%	0.074	C	C	.	.			trans	-88.4	8.7	179.2	-55.7	0	0	0	0	113.5	L596 L806 G811 A821	L596-V809 HydrophobicContact CD1-CG1 4.11Å; L596-V809 HydrophobicContact CD2-CG1 3.8Å; L596-V809 HydrophobicContact CG-CG1 3.61Å; L806-V809 HydrophobicContact CD2-CG2 4.29Å; L806-V809 WeakPolarHBondContact O-CG2 3.47Å; V809-G811 VanDerWaalsContact C-N 3.34Å; V809-G811 PolarHBondContact O-N 2.89Å; V809-A821 HydrophobicContact CG2-CB 3.64Å
810	Y	94.2	Very high	96.1	Very high	22 Å²	22	15.5 Å²	15.5	9%	0.086	7%	0.073	C	C	.	.			trans	-72.6	88.2	171.8	-177.7	-105.3	0	0	0	110.5	H808 R812 C813 V817 Y824 F825 L828	H808-Y810 VanDerWaalsContact C-N 3.29Å; H808-Y810 PolarHBondContact O-N 3.41Å; Y810-R812 HydrophobicContact CD1-CB 4.15Å; Y810-R812 HydrophobicContact CE1-CB 3.56Å; Y810-R812 HydrophobicContact CE1-CG 4.34Å; Y810-R812 HydrophobicContact CE2-CG 4.45Å; Y810-R812 PolarHBondContact O-N 2.94Å; Y810-R812 WeakPolarHBondContact OH-CD 3.29Å; Y810-R812 PolarHBondContact OH-NE 3.41Å; Y810-C813 PolarHBondContact O-N 2.84Å; Y810-V817 HydrophobicContact CD1-CG1 3.34Å; Y810-V817 HydrophobicContact CD1-CG2 4.47Å; Y810-V817 HydrophobicContact CE1-CG1 3.94Å; Y810-V817 HydrophobicContact CG-CG1 3.8Å; Y810-V817 HydrophobicContact CG-CG2 4.07Å; Y810-Y824 HydrophobicContact CD2-CG 4.35Å; Y810-Y824 HydrophobicContact CE2-CD1 4.32Å; Y810-Y824 HydrophobicContact CE2-CG 4.13Å; Y810-F825 HydrophobicContact CD2-CD1 4.13Å; Y810-F825 AromaticContact CD2-CE1 3.46Å; Y810-F825 HydrophobicContact CD2-CE1 3.46Å; Y810-F825 VanDerWaalsContact CD2-CE1 3.46Å; Y810-F825 AromaticContact CD2-CZ 3.97Å; Y810-F825 HydrophobicContact CD2-CZ 3.97Å; Y810-F825 HydrophobicContact CE2-CD1 4.07Å; Y810-F825 AromaticContact CE2-CE1 3.68Å; Y810-F825 HydrophobicContact CE2-CE1 3.68Å; Y810-L828 HydrophobicContact CE2-CD1 4.01Å
811	G	88.7	Confident	96.1	Very high	7 Å²	7	15.5 Å²	15.5	7%	0.072	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	3.9	-170.4	0	0	0	0	0	117	M587 N593 V809	M587-G811 VanDerWaalsContact SD-CA 3.56Å; N593-G811 PolarHBondContact ND2-O 3.26Å; V809-G811 VanDerWaalsContact C-N 3.34Å; V809-G811 PolarHBondContact O-N 2.89Å
812	R	90	Very high	96	Very high	85 Å²	85	14.8 Å²	14.8	32%	0.321	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.6	178.7	-62.8	178.5	49.5	177	-5.9	114.1	K584 M587 Y810	K584-R812 HydrophobicContact CG-CB 4.38Å; K584-R812 HydrophobicContact CG-CG 4.22Å; M587-R812 HydrophobicContact SD-CG 4.17Å; Y810-R812 HydrophobicContact CD1-CB 4.15Å; Y810-R812 HydrophobicContact CE1-CB 3.56Å; Y810-R812 HydrophobicContact CE1-CG 4.34Å; Y810-R812 HydrophobicContact CE2-CG 4.45Å; Y810-R812 PolarHBondContact O-N 2.94Å; Y810-R812 WeakPolarHBondContact OH-CD 3.29Å; Y810-R812 PolarHBondContact OH-NE 3.41Å
813	C	91.9	Very high	95.9	Very high	29 Å²	29	14.7 Å²	14.7	20%	0.196	7%	0.067	C	C	.	.	S	Bend	trans	-154.1	162.2	173	59.1	0	0	0	0	111.3	Y810 R815	Y810-C813 PolarHBondContact O-N 2.84Å; C813-R815 PolarHBondContact O-N 3.14Å
814	M	93.4	Very high	95.8	Very high	15 Å²	15	17.2 Å²	17.2	7%	0.074	8%	0.077	C	C	.	.	S	Bend	trans	-89.4	48.9	172.4	-61.3	168.4	-76.1	0	0	110.9	W448 M450 M576 T579 L583	W448-M814 HydrophobicContact CD2-CB 4.34Å; W448-M814 HydrophobicContact CG-CB 4.33Å; W448-M814 PolarHBondContact N-O 3.3Å; W448-M814 WeakPolarHBondContact O-CB 3.45Å; M450-M814 HydrophobicContact CB-SD 4.08Å; M450-M814 HydrophobicContact CE-CG 3.65Å; M450-M814 HydrophobicContact CE-SD 3.9Å; M450-M814 HydrophobicContact CG-CG 4.39Å; M450-M814 HydrophobicContact CG-SD 3.72Å; M450-M814 HydrophobicContact SD-SD 4.42Å; M576-M814 HydrophobicContact CE-CE 4.39Å; M576-M814 HydrophobicContact SD-CE 3.91Å; T579-M814 HydrophobicContact CG2-CE 4.02Å; L583-M814 HydrophobicContact CD1-CG 4.3Å
815	R	95.7	Very high	95.7	Very high	86 Å²	86	18.3 Å²	18.3	33%	0.325	8%	0.082	S	C	.	.	B	Isolated β-bridge	trans	-144.5	145.4	-176	-55.8	-178.5	71.3	98.2	0	110.2	G446 T447 W448 C813 V817	G446-R815 CarbonylContact O-C 3.53Å; G446-R815 WeakPolarHBondContact O-CA 3.47Å; T447-R815 HydrophobicContact CG2-CG 4.22Å; T447-R815 VanDerWaalsContact CG2-CZ 3.42Å; W448-R815 VanDerWaalsContact CZ3-CA 3.5Å; C813-R815 PolarHBondContact O-N 3.14Å; R815-V817 PolarHBondContact O-N 2.91Å
816	S	97.6	Very high	95.5	Very high	4 Å²	4	17.1 Å²	17.1	3%	0.028	8%	0.077	C	C	.	.			trans	-68.6	125.7	165.8	-177.5	0	0	0	0	108.8	G446 W448 S772 H773 C807 H808	G446-S816 PolarHBondContact O-N 3.33Å; W448-S816 VanDerWaalsContact CZ3-N 3.27Å; S772-S816 WeakPolarHBondContact O-CB 3.43Å; S772-S816 PolarHBondContact O-OG 3.33Å; H773-S816 WeakPolarHBondContact CB-O 3.39Å; C807-S816 WeakPolarHBondContact CB-OG 3.48Å; C807-S816 WeakPolarHBondContact O-CA 3.29Å; H808-S816 PolarHBondContact CE1-OG 2.83Å
817	V	97.1	Very high	95.2	Very high	13 Å²	13	20.4 Å²	20.4	8%	0.079	9%	0.092	C	C	.	.			trans	-87.8	165.2	179.6	-72	0	0	0	0	111.7	S772 C807 Y810 R815 I819 Y824	S772-V817 WeakPolarHBondContact CB-O 3.5Å; S772-V817 PolarHBondContact OG-O 2.58Å; C807-V817 HydrophobicContact CB-CG2 4.37Å; C807-V817 VanDerWaalsContact CB-O 3.31Å; C807-V817 WeakPolarHBondContact CB-O 3.46Å; C807-V817 VanDerWaalsContact O-CG2 3.24Å; C807-V817 WeakPolarHBondContact O-CG2 3.31Å; C807-V817 PolarHBondContact O-N 3.27Å; Y810-V817 HydrophobicContact CD1-CG1 3.34Å; Y810-V817 HydrophobicContact CD1-CG2 4.47Å; Y810-V817 HydrophobicContact CE1-CG1 3.94Å; Y810-V817 HydrophobicContact CG-CG1 3.8Å; Y810-V817 HydrophobicContact CG-CG2 4.07Å; R815-V817 PolarHBondContact O-N 2.91Å; V817-I819 VanDerWaalsContact C-N 3.28Å; V817-I819 WeakPolarHBondContact CG2-O 3.38Å; V817-I819 PolarHBondContact O-N 3.21Å; V817-Y824 HydrophobicContact CB-CD2 3.84Å; V817-Y824 HydrophobicContact CB-CE2 3.64Å; V817-Y824 HydrophobicContact CG1-CD2 4.42Å; V817-Y824 HydrophobicContact CG1-CE2 4.23Å; V817-Y824 HydrophobicContact CG2-CD2 3.76Å; V817-Y824 HydrophobicContact CG2-CE2 4.08Å
818	S	96.8	Very high	94.9	Very high	7 Å²	7	23 Å²	23	5%	0.049	11%	0.106	C	C	.	.	S	Bend	trans	-74.4	-11.7	-170.7	66.1	0	0	0	0	116.1	K729 S772 H773	K729-S818 VanDerWaalsContact CE-OG 3.27Å; K729-S818 WeakPolarHBondContact CE-OG 3.46Å; K729-S818 PolarHBondContact NZ-OG 2.92Å; S772-S818 VanDerWaalsContact OG-CA 3.29Å; S772-S818 WeakPolarHBondContact OG-CA 3.46Å; S772-S818 PolarHBondContact OG-O 3.46Å; H773-S818 WeakPolarHBondContact ND1-CA 3.5Å; H773-S818 WeakPolarHBondContact ND1-CB 3.41Å
819	I	97.3	Very high	94.7	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.015	11%	0.111	C	C	.	.	S	Bend	trans	-148	158.3	-178.9	55.4	179.3	0	0	0	107.6	V727 K729 A783 V817 V823 Y824	V727-I819 HydrophobicContact CG1-CB 4.28Å; V727-I819 HydrophobicContact CG1-CG2 3.68Å; K729-I819 HydrophobicContact CB-CG2 4.28Å; K729-I819 HydrophobicContact CD-CG2 4.2Å; A783-I819 HydrophobicContact CB-CG2 3.96Å; V817-I819 VanDerWaalsContact C-N 3.28Å; V817-I819 WeakPolarHBondContact CG2-O 3.38Å; V817-I819 PolarHBondContact O-N 3.21Å; I819-V823 HydrophobicContact CD1-CB 4.14Å; I819-V823 HydrophobicContact CD1-CG1 3.82Å; I819-V823 HydrophobicContact CG1-CB 4.47Å; I819-Y824 HydrophobicContact CD1-CD2 3.89Å; I819-Y824 HydrophobicContact CD1-CE2 4.02Å; I819-Y824 HydrophobicContact CD1-CG 4.23Å; I819-Y824 HydrophobicContact CG1-CD2 3.26Å; I819-Y824 HydrophobicContact CG1-CE2 3.4Å; I819-Y824 HydrophobicContact CG1-CG 4.05Å
820	P	98	Very high	94.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.108	C	C	.	.			trans	-57.1	143.7	-176	-25.9	37.6	0	0	0	111.7	F687 Y785 L806 P822 V823 Y824	F687-P820 HydrophobicContact CD1-CG 3.96Å; F687-P820 HydrophobicContact CE1-CG 3.91Å; F687-P820 HydrophobicContact CG-CG 4.35Å; F687-P820 HydrophobicContact CZ-CG 4.28Å; Y785-P820 HydrophobicContact CE1-CG 3.95Å; Y785-P820 WeakPolarHBondContact OH-CD 3.49Å; L806-P820 HydrophobicContact CB-CB 3.88Å; P820-P822 VanDerWaalsContact C-CD 3.43Å; P820-P822 VanDerWaalsContact C-N 3.35Å; P820-P822 HydrophobicContact CB-CG 4.06Å; P820-V823 HydrophobicContact CB-CG2 4.27Å; P820-V823 HydrophobicContact CG-CG2 4.44Å; P820-V823 WeakPolarHBondContact O-CB 3.22Å; P820-V823 PolarHBondContact O-N 3.18Å; P820-Y824 PolarHBondContact O-N 3.27Å; P820-Y824 VanDerWaalsContact O-N 3.12Å
821	A	97	Very high	94.3	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-46.3	-46.5	177.8	0	0	0	0	0	114.6	L806 V809 V823 Y824 F825	L806-A821 VanDerWaalsContact O-CB 3.26Å; L806-A821 WeakPolarHBondContact O-CB 3.37Å; L806-A821 PolarHBondContact O-N 2.81Å; V809-A821 HydrophobicContact CG2-CB 3.64Å; A821-V823 VanDerWaalsContact C-N 3.3Å; A821-V823 PolarHBondContact O-N 3.12Å; A821-Y824 CarbonylContact O-C 3.04Å; A821-Y824 WeakPolarHBondContact O-CA 3.48Å; A821-Y824 WeakPolarHBondContact O-CB 3.25Å; A821-Y824 PolarHBondContact O-N 3.36Å; A821-Y824 VanDerWaalsContact O-N 3.1Å; A821-F825 HydrophobicContact CB-CD2 4.32Å; A821-F825 HydrophobicContact CB-CE2 3.7Å; A821-F825 HydrophobicContact CB-CZ 4.03Å; A821-F825 WeakPolarHBondContact O-CD2 3.38Å; A821-F825 WeakPolarHBondContact O-CG 3.29Å; A821-F825 PolarHBondContact O-N 2.96Å
822	P	96.9	Very high	94.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.2	-39.3	177.7	21.1	-35.6	0	0	0	113.3	I613 Y645 F687 P820 F825 A826	I613-P822 HydrophobicContact CG2-CB 4.38Å; I613-P822 HydrophobicContact CG2-CG 3.75Å; Y645-P822 HydrophobicContact CD1-CB 4.38Å; Y645-P822 HydrophobicContact CE1-CB 3.86Å; Y645-P822 HydrophobicContact CE1-CG 4.44Å; F687-P822 HydrophobicContact CD2-CG 4.36Å; P820-P822 VanDerWaalsContact C-CD 3.43Å; P820-P822 VanDerWaalsContact C-N 3.35Å; P820-P822 HydrophobicContact CB-CG 4.06Å; P822-F825 PolarHBondContact O-N 2.93Å; P822-A826 PolarHBondContact O-N 2.83Å
823	V	96.6	Very high	94.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.7	-43.6	176.5	-169.4	0	0	0	0	110.5	F687 D689 V727 I819 P820 A821 F825 A826 H827	F687-V823 HydrophobicContact CB-CG2 3.36Å; F687-V823 HydrophobicContact CG-CG2 4.19Å; D689-V823 HydrophobicContact CB-CG1 3.63Å; V727-V823 HydrophobicContact CG2-CG2 4.3Å; I819-V823 HydrophobicContact CD1-CB 4.14Å; I819-V823 HydrophobicContact CD1-CG1 3.82Å; I819-V823 HydrophobicContact CG1-CB 4.47Å; P820-V823 HydrophobicContact CB-CG2 4.27Å; P820-V823 HydrophobicContact CG-CG2 4.44Å; P820-V823 WeakPolarHBondContact O-CB 3.22Å; P820-V823 PolarHBondContact O-N 3.18Å; A821-V823 VanDerWaalsContact C-N 3.3Å; A821-V823 PolarHBondContact O-N 3.12Å; V823-F825 VanDerWaalsContact C-N 3.28Å; V823-F825 PolarHBondContact O-N 3.42Å; V823-A826 PolarHBondContact O-N 3.31Å; V823-H827 PolarHBondContact O-N 3.35Å; V823-H827 VanDerWaalsContact O-N 3.11Å
824	Y	95.5	Very high	93.9	Very high	54 Å²	54	28.2 Å²	28.2	21%	0.212	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-38.5	174.8	-113.7	-60.4	0	0	0	112.3	K729 Y810 V817 I819 P820 A821 L828	K729-Y824 PolarHBondContact NZ-OH 3.36Å; Y810-Y824 HydrophobicContact CD2-CG 4.35Å; Y810-Y824 HydrophobicContact CE2-CD1 4.32Å; Y810-Y824 HydrophobicContact CE2-CG 4.13Å; V817-Y824 HydrophobicContact CB-CD2 3.84Å; V817-Y824 HydrophobicContact CB-CE2 3.64Å; V817-Y824 HydrophobicContact CG1-CD2 4.42Å; V817-Y824 HydrophobicContact CG1-CE2 4.23Å; V817-Y824 HydrophobicContact CG2-CD2 3.76Å; V817-Y824 HydrophobicContact CG2-CE2 4.08Å; I819-Y824 HydrophobicContact CD1-CD2 3.89Å; I819-Y824 HydrophobicContact CD1-CE2 4.02Å; I819-Y824 HydrophobicContact CD1-CG 4.23Å; I819-Y824 HydrophobicContact CG1-CD2 3.26Å; I819-Y824 HydrophobicContact CG1-CE2 3.4Å; I819-Y824 HydrophobicContact CG1-CG 4.05Å; P820-Y824 PolarHBondContact O-N 3.27Å; P820-Y824 VanDerWaalsContact O-N 3.12Å; A821-Y824 CarbonylContact O-C 3.04Å; A821-Y824 WeakPolarHBondContact O-CA 3.48Å; A821-Y824 WeakPolarHBondContact O-CB 3.25Å; A821-Y824 PolarHBondContact O-N 3.36Å; A821-Y824 VanDerWaalsContact O-N 3.1Å; Y824-L828 VanDerWaalsContact O-CG 3.24Å; Y824-L828 WeakPolarHBondContact O-CG 3.45Å; Y824-L828 PolarHBondContact O-N 3.41Å
825	F	96.3	Very high	93.5	Very high	25 Å²	25	28.7 Å²	28.7	11%	0.11	13%	0.125	C	C	.	.	H	α-helix	trans	-69.7	-39.1	177.5	-62.5	-35.7	0	0	0	111.9	M587 V635 Y645 Y810 A821 P822 V823 L828 A829	M587-F825 HydrophobicContact CE-CE1 4.36Å; M587-F825 HydrophobicContact CE-CZ 4.14Å; V635-F825 HydrophobicContact CB-CB 4.46Å; V635-F825 HydrophobicContact CG1-CB 3.84Å; V635-F825 HydrophobicContact CG1-CD2 4.48Å; V635-F825 HydrophobicContact CG2-CB 4.24Å; Y645-F825 HydrophobicContact CD1-CD2 4.15Å; Y645-F825 AromaticContact CD2-CD2 3.8Å; Y645-F825 HydrophobicContact CD2-CD2 3.8Å; Y645-F825 AromaticContact CD2-CE2 3.43Å; Y645-F825 HydrophobicContact CD2-CE2 3.43Å; Y645-F825 VanDerWaalsContact CD2-CE2 3.43Å; Y645-F825 HydrophobicContact CE2-CD2 4.38Å; Y645-F825 AromaticContact CE2-CE2 3.85Å; Y645-F825 HydrophobicContact CE2-CE2 3.85Å; Y645-F825 AromaticContact CG-CD2 3.66Å; Y645-F825 HydrophobicContact CG-CD2 3.66Å; Y645-F825 AromaticContact CG-CE2 3.82Å; Y645-F825 HydrophobicContact CG-CE2 3.82Å; Y810-F825 HydrophobicContact CD2-CD1 4.13Å; Y810-F825 AromaticContact CD2-CE1 3.46Å; Y810-F825 HydrophobicContact CD2-CE1 3.46Å; Y810-F825 VanDerWaalsContact CD2-CE1 3.46Å; Y810-F825 AromaticContact CD2-CZ 3.97Å; Y810-F825 HydrophobicContact CD2-CZ 3.97Å; Y810-F825 HydrophobicContact CE2-CD1 4.07Å; Y810-F825 AromaticContact CE2-CE1 3.68Å; Y810-F825 HydrophobicContact CE2-CE1 3.68Å; A821-F825 HydrophobicContact CB-CD2 4.32Å; A821-F825 HydrophobicContact CB-CE2 3.7Å; A821-F825 HydrophobicContact CB-CZ 4.03Å; A821-F825 WeakPolarHBondContact O-CD2 3.38Å; A821-F825 WeakPolarHBondContact O-CG 3.29Å; A821-F825 PolarHBondContact O-N 2.96Å; P822-F825 PolarHBondContact O-N 2.93Å; V823-F825 VanDerWaalsContact C-N 3.28Å; V823-F825 PolarHBondContact O-N 3.42Å; F825-L828 HydrophobicContact CD1-CD1 4.29Å; F825-L828 PolarHBondContact O-N 3.24Å; F825-A829 WeakPolarHBondContact O-CB 3.43Å; F825-A829 PolarHBondContact O-N 2.95Å
826	A	94.6	Very high	93	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-47.9	175.1	0	0	0	0	0	111.3	D617 V635 P822 V823 L828 A829 C830	D617-A826 HydrophobicContact CB-CB 3.72Å; V635-A826 HydrophobicContact CB-CB 4.46Å; V635-A826 HydrophobicContact CG2-CB 4.03Å; P822-A826 PolarHBondContact O-N 2.83Å; V823-A826 PolarHBondContact O-N 3.31Å; A826-L828 VanDerWaalsContact C-N 3.33Å; A826-L828 PolarHBondContact O-N 3.11Å; A826-A829 WeakPolarHBondContact O-CB 3.45Å; A826-A829 PolarHBondContact O-N 2.78Å; A826-A829 VanDerWaalsContact O-N 3.08Å; A826-C830 PolarHBondContact O-N 2.96Å
827	H	91.5	Very high	91.9	Very high	69 Å²	69	27.6 Å²	27.6	32%	0.319	13%	0.125	S	C	.	.	H	α-helix	trans	-60.7	-40.9	174.6	-175.4	174.6	0	0	0	112.2	D617 V823 A829 C830 Y831	D617-H827 VanDerWaalsContact OD2-CA 3.29Å; D617-H827 WeakPolarHBondContact OD2-CA 3.1Å; D617-H827 IonicContact OD2-CG 3.64Å; V823-H827 PolarHBondContact O-N 3.35Å; V823-H827 VanDerWaalsContact O-N 3.11Å; H827-A829 VanDerWaalsContact C-N 3.32Å; H827-A829 PolarHBondContact O-N 3.2Å; H827-C830 PolarHBondContact O-N 3.41Å; H827-Y831 WeakPolarHBondContact O-CB 3.28Å; H827-Y831 PolarHBondContact O-N 3.12Å
828	L	92.7	Very high	90.1	Very high	55 Å²	55	31.6 Å²	31.6	29%	0.288	14%	0.14	S	C	.	.	H	α-helix	trans	-64.4	-35.3	175.1	-73.5	172.1	0	0	0	113	Y810 Y824 F825 A826 R832	Y810-L828 HydrophobicContact CE2-CD1 4.01Å; Y824-L828 VanDerWaalsContact O-CG 3.24Å; Y824-L828 WeakPolarHBondContact O-CG 3.45Å; Y824-L828 PolarHBondContact O-N 3.41Å; F825-L828 HydrophobicContact CD1-CD1 4.29Å; F825-L828 PolarHBondContact O-N 3.24Å; A826-L828 VanDerWaalsContact C-N 3.33Å; A826-L828 PolarHBondContact O-N 3.11Å; L828-R832 WeakPolarHBondContact O-CB 3.42Å; L828-R832 PolarHBondContact O-N 3.43Å
829	A	92.9	Very high	87.8	Confident	12 Å²	12	34.6 Å²	34.6	10%	0.099	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-48.1	176.2	0	0	0	0	0	111	A633 A647 I649 F825 A826 H827 Y831 R832 S833	A633-A829 HydrophobicContact CB-CB 3.84Å; A647-A829 HydrophobicContact CB-CB 3.8Å; I649-A829 HydrophobicContact CD1-CB 3.98Å; I649-A829 HydrophobicContact CG1-CB 4.19Å; F825-A829 WeakPolarHBondContact O-CB 3.43Å; F825-A829 PolarHBondContact O-N 2.95Å; A826-A829 WeakPolarHBondContact O-CB 3.45Å; A826-A829 PolarHBondContact O-N 2.78Å; A826-A829 VanDerWaalsContact O-N 3.08Å; H827-A829 VanDerWaalsContact C-N 3.32Å; H827-A829 PolarHBondContact O-N 3.2Å; A829-Y831 VanDerWaalsContact C-N 3.34Å; A829-Y831 PolarHBondContact O-N 2.89Å; A829-R832 PolarHBondContact O-N 3.33Å; A829-S833 WeakPolarHBondContact O-CB 3.45Å; A829-S833 PolarHBondContact O-N 3.45Å
830	C	90.6	Very high	85	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-45.6	173.6	-70.5	0	0	0	0	111.9	T619 I631 A633 A826 H827 R832 S833 R834	T619-C830 VanDerWaalsContact OG1-CB 3.27Å; T619-C830 WeakPolarHBondContact OG1-CB 3.24Å; I631-C830 HydrophobicContact CG2-CB 4.34Å; I631-C830 PolarHBondContact O-SG 2.99Å; I631-C830 VanDerWaalsContact O-SG 3.35Å; A633-C830 WeakPolarHBondContact CB-SG 3.41Å; A826-C830 PolarHBondContact O-N 2.96Å; H827-C830 PolarHBondContact O-N 3.41Å; C830-R832 PolarHBondContact O-N 3.34Å; C830-S833 PolarHBondContact O-N 3.35Å; C830-R834 PolarHBondContact O-N 3.42Å
831	Y	88.4	Confident	82.2	Confident	124 Å²	124	43 Å²	43	49%	0.486	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-40.1	178.6	-169.2	-99.5	0	0	0	112.1	H827 A829 R834 H835	H827-Y831 WeakPolarHBondContact O-CB 3.28Å; H827-Y831 PolarHBondContact O-N 3.12Å; A829-Y831 VanDerWaalsContact C-N 3.34Å; A829-Y831 PolarHBondContact O-N 2.89Å; Y831-R834 WeakPolarHBondContact O-CB 3.41Å; Y831-R834 PolarHBondContact O-N 3.13Å; Y831-H835 AromaticContact CD1-CD2 3.89Å; Y831-H835 AromaticContact CD1-NE2 3.81Å; Y831-H835 AromaticContact CE1-CD2 3.64Å; Y831-H835 AromaticContact CE1-NE2 3.07Å; Y831-H835 WeakPolarHBondContact CE1-NE2 3.28Å; Y831-H835 AromaticContact CZ-NE2 3.35Å; Y831-H835 VanDerWaalsContact CZ-NE2 3.35Å; Y831-H835 PolarHBondContact O-CD2 3.5Å; Y831-H835 VanDerWaalsContact O-CD2 3.24Å; Y831-H835 PolarHBondContact O-N 3.38Å; Y831-H835 PolarHBondContact OH-NE2 2.93Å
832	R	89.9	Confident	79.2	Confident	70 Å²	70	51.1 Å²	51.1	26%	0.264	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-46.3	175.1	178.9	62.4	66.6	69.6	22.3	111.4	D551 L828 A829 C830 R834 H835 H836	D551-R832 IonicContact OD1-NH1 3.84Å; D551-R832 WeakPolarHBondContact OD2-CD 3.22Å; D551-R832 IonicContact OD2-CZ 3.03Å; D551-R832 IonicContact OD2-NE 2.74Å; D551-R832 IonicContact OD2-NH1 3.79Å; D551-R832 PolarHBondContact OD2-NH1 2.92Å; L828-R832 WeakPolarHBondContact O-CB 3.42Å; L828-R832 PolarHBondContact O-N 3.43Å; A829-R832 PolarHBondContact O-N 3.33Å; C830-R832 PolarHBondContact O-N 3.34Å; R832-R834 VanDerWaalsContact C-N 3.26Å; R832-R834 PolarHBondContact O-N 3Å; R832-H835 WeakPolarHBondContact O-CB 3.27Å; R832-H835 PolarHBondContact O-N 3.41Å; R832-H836 PolarHBondContact O-N 2.9Å
833	S	88.5	Confident	75.8	Confident	10 Å²	10	54.4 Å²	54.4	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-35.6	179.7	178.8	0	0	0	0	112.3	I649 A829 C830 H835 H836 S837	I649-S833 WeakPolarHBondContact CG2-OG 3.36Å; A829-S833 WeakPolarHBondContact O-CB 3.45Å; A829-S833 PolarHBondContact O-N 3.45Å; C830-S833 PolarHBondContact O-N 3.35Å; S833-H835 PolarHBondContact O-N 3.46Å; S833-H836 WeakPolarHBondContact O-CA 3.35Å; S833-H836 WeakPolarHBondContact O-CB 3.49Å; S833-H836 PolarHBondContact O-N 3.46Å; S833-S837 PolarHBondContact O-N 3.07Å; S833-S837 PolarHBondContact O-OG 2.88Å
834	R	85.1	Confident	72.3	Confident	46 Å²	46	62.7 Å²	62.7	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-38.4	172	-173.7	64.6	63.4	-168.7	-0.4	112.6	T619 S628 P629 I631 C830 Y831 R832 S837	T619-R834 PolarHBondContact O-NH2 2.97Å; S628-R834 VanDerWaalsContact CB-NH1 3.32Å; P629-R834 PolarHBondContact O-NH1 3.16Å; P629-R834 PolarHBondContact O-NH2 3.05Å; I631-R834 HydrophobicContact CD1-CB 4.02Å; C830-R834 PolarHBondContact O-N 3.42Å; Y831-R834 WeakPolarHBondContact O-CB 3.41Å; Y831-R834 PolarHBondContact O-N 3.13Å; R832-R834 VanDerWaalsContact C-N 3.26Å; R832-R834 PolarHBondContact O-N 3Å; R834-S837 PolarHBondContact O-N 3.06Å
835	H	84.6	Confident	68.9	Low	24 Å²	24	67.9 Å²	67.9	11%	0.111	31%	0.309	C	S	.	.	H	α-helix	trans	-71.4	-31.2	175.9	-74.9	-73	0	0	0	112.7	Y543 S544 Y831 R832 S833 S837 Y838	Y543-H835 AromaticContact CD1-CE1 3.69Å; Y543-H835 AromaticContact CD1-CG 3.99Å; Y543-H835 AromaticContact CD1-ND1 3.79Å; Y543-H835 AromaticContact CD1-NE2 3.82Å; Y543-H835 AromaticContact CE1-CD2 3.7Å; Y543-H835 AromaticContact CE1-CG 3.99Å; Y543-H835 AromaticContact CE1-NE2 3.78Å; S544-H835 PolarHBondContact OG-ND1 2.87Å; Y831-H835 AromaticContact CD1-CD2 3.89Å; Y831-H835 AromaticContact CD1-NE2 3.81Å; Y831-H835 AromaticContact CE1-CD2 3.64Å; Y831-H835 AromaticContact CE1-NE2 3.07Å; Y831-H835 WeakPolarHBondContact CE1-NE2 3.28Å; Y831-H835 AromaticContact CZ-NE2 3.35Å; Y831-H835 VanDerWaalsContact CZ-NE2 3.35Å; Y831-H835 PolarHBondContact O-CD2 3.5Å; Y831-H835 VanDerWaalsContact O-CD2 3.24Å; Y831-H835 PolarHBondContact O-N 3.38Å; Y831-H835 PolarHBondContact OH-NE2 2.93Å; R832-H835 WeakPolarHBondContact O-CB 3.27Å; R832-H835 PolarHBondContact O-N 3.41Å; S833-H835 PolarHBondContact O-N 3.46Å; H835-S837 VanDerWaalsContact C-N 3.34Å; H835-Y838 WeakPolarHBondContact O-CB 3.31Å; H835-Y838 PolarHBondContact O-N 3.13Å
836	H	85.4	Confident	65.2	Low	48 Å²	48	73.2 Å²	73.2	22%	0.222	34%	0.343	C	S	.	.	H	α-helix	trans	-67.1	-36.4	174.1	-58.5	161.6	0	0	0	111.9	D551 V552 R832 S833 Y838	D551-H836 WeakPolarHBondContact CB-NE2 3.49Å; D551-H836 IonicContact OD2-CE1 3.3Å; D551-H836 IonicContact OD2-NE2 3.79Å; D551-H836 PolarHBondContact OD2-NE2 3.06Å; V552-H836 HydrophobicContact CG2-CB 4.15Å; R832-H836 PolarHBondContact O-N 2.9Å; S833-H836 WeakPolarHBondContact O-CA 3.35Å; S833-H836 WeakPolarHBondContact O-CB 3.49Å; S833-H836 PolarHBondContact O-N 3.46Å; H836-Y838 VanDerWaalsContact C-N 3.29Å; H836-Y838 PolarHBondContact O-N 3.27Å
837	S	73.5	Confident	61.9	Low	19 Å²	19	85.5 Å²	85.5	13%	0.133	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.1	179.4	-52	0	0	0	0	115	S833 R834 H835 L839 L840	S833-S837 PolarHBondContact O-N 3.07Å; S833-S837 PolarHBondContact O-OG 2.88Å; R834-S837 PolarHBondContact O-N 3.06Å; H835-S837 VanDerWaalsContact C-N 3.34Å; S837-L839 PolarHBondContact O-N 3.49Å; S837-L840 PolarHBondContact O-N 3.24Å
838	Y	59	Low	60.5	Low	97 Å²	97	86.4 Å²	86.4	38%	0.38	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.6	-167.6	-177.6	-100.1	0	0	0	115.2	H835 H836 T841 Y842	H835-Y838 WeakPolarHBondContact O-CB 3.31Å; H835-Y838 PolarHBondContact O-N 3.13Å; H836-Y838 VanDerWaalsContact C-N 3.29Å; H836-Y838 PolarHBondContact O-N 3.27Å; Y838-T841 PolarHBondContact O-OG1 3.01Å; Y838-Y842 HydrophobicContact CE2-CE2 4.16Å; Y838-Y842 WeakPolarHBondContact O-CD2 3.3Å
839	L	49	Very low	58.8	Low	70 Å²	70	88 Å²	88	37%	0.366	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-24.2	178.1	-82.1	164.2	0	0	0	114.4	S837 T841 Y842 T843	S837-L839 PolarHBondContact O-N 3.49Å; L839-T841 PolarHBondContact O-N 3.26Å; L839-T841 VanDerWaalsContact O-N 3.1Å; L839-Y842 PolarHBondContact O-N 2.77Å; L839-T843 PolarHBondContact O-N 3.4Å; L839-T843 PolarHBondContact O-OG1 3.16Å
840	L	40.1	Very low	56.9	Low	152 Å²	152	92.2 Å²	92.2	80%	0.796	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.7	178.1	-74.5	167.1	0	0	0	112.5	S837	S837-L840 PolarHBondContact O-N 3.24Å
841	T	38.7	Very low	54.9	Low	29 Å²	29	97.6 Å²	97.6	18%	0.178	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-12.7	176.6	36.7	0	0	0	0	114.9	E627 Y838 L839	E627-T841 HydrophobicContact CB-CG2 4.32Å; Y838-T841 PolarHBondContact O-OG1 3.01Å; L839-T841 PolarHBondContact O-N 3.26Å; L839-T841 VanDerWaalsContact O-N 3.1Å
842	Y	32.6	Very low	52.8	Low	170 Å²	170	96 Å²	96	67%	0.667	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-12.4	-177.5	-77.8	-74.2	0	0	0	114	Y838 L839 Y844	Y838-Y842 HydrophobicContact CE2-CE2 4.16Å; Y838-Y842 WeakPolarHBondContact O-CD2 3.3Å; L839-Y842 PolarHBondContact O-N 2.77Å; Y842-Y844 PolarHBondContact O-N 3.05Å
843	T	25.9	Very low	50.3	Low	69 Å²	69	97.7 Å²	97.7	42%	0.423	46%	0.459	S	S	.	.			trans	-99.2	83.5	174.2	-28.4	0	0	0	0	109.3	L839 F845	L839-T843 PolarHBondContact O-N 3.4Å; L839-T843 PolarHBondContact O-OG1 3.16Å; T843-F845 VanDerWaalsContact C-N 3.32Å; T843-F845 HydrophobicContact CG2-CD2 4.34Å; T843-F845 HydrophobicContact CG2-CE2 4.11Å; T843-F845 PolarHBondContact O-N 3.09Å
844	Y	24.4	Very low	47.6	Very low	174 Å²	174	104 Å²	104	68%	0.682	49%	0.487	S	S	*	.			trans	-64.2	103	153.3	-82.9	-91.8	0	0	0	106.3	E627 Y842 V846	E627-Y844 PolarHBondContact OE1-OH 2.79Å; Y842-Y844 PolarHBondContact O-N 3.05Å; Y844-V846 VanDerWaalsContact C-N 3.33Å; Y844-V846 PolarHBondContact O-N 3.05Å; Y844-V846 VanDerWaalsContact O-N 3.08Å
845	F	22.7	Very low	44.7	Very low	162 Å²	162	108.5 Å²	108.5	71%	0.711	51%	0.511	S	S	*	.			trans	-63.6	105.2	155.1	-78.7	-86.5	0	0	0	105.8	T843 F847	T843-F845 VanDerWaalsContact C-N 3.32Å; T843-F845 HydrophobicContact CG2-CD2 4.34Å; T843-F845 HydrophobicContact CG2-CE2 4.11Å; T843-F845 PolarHBondContact O-N 3.09Å; F845-F847 HydrophobicContact CB-CD2 4.4Å; F845-F847 HydrophobicContact CB-CE2 4.39Å; F845-F847 PolarHBondContact O-N 3.18Å
846	V	19.9	Very low	41.4	Very low	138 Å²	138	115.5 Å²	115.5	84%	0.836	54%	0.544	S	S	*	.			trans	-68.2	106.9	153.8	180	0	0	0	0	104.1	Y844	Y844-V846 VanDerWaalsContact C-N 3.33Å; Y844-V846 PolarHBondContact O-N 3.05Å; Y844-V846 VanDerWaalsContact O-N 3.08Å
847	F	25.6	Very low	37.4	Very low	258 Å²	258	121.6 Å²	121.6	100%	1.132	57%	0.573	S	S	*	*			trans	-73.5	0	159.9	-88.3	-79.4	0	0	0	109.1	F845	F845-F847 HydrophobicContact CB-CD2 4.4Å; F845-F847 HydrophobicContact CB-CE2 4.39Å; F845-F847 PolarHBondContact O-N 3.18Å

Retrieved 847 of 847 residues in 1906.3 ms (Link to these results)

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