A0A077Z0R0_TRITR Loading...

DNA-directed RNA polymerase subunit beta

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A077Z0R0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,185 aa.

						>A0A077Z0R0_TRITR|A0A077Z0R0
MLTDDEEPRSRNESFVDDDMEITGDLWQEACWVIISAYFDEKGLVRQQLDSFDEFIQMSVQRIVEDSPPVELQSESQHYTGEIEIPTKYSLKFEQIYLSKPTHWEKDGAPAPMMPNEARLRNLTYSAPLYVDITKTVSRDGEEPRCTKHEKVFIGKIPIMLRSTYCLLNGLNDRDLTDLNECPMDPGGYFIINGSEKVLIAQEKMATNTVYVFSVKDGKYAYKAECRSCLEHSSRPTSTVWVNMFARGGGGAKKSVMGQRIIAILPYIKQEIPIMIVFRALGFVADRDILDHIIYDFDDPEMMEMVKPSLDEAFVIQEQNVALNFIGARGARPGVTKEKRIKYAKEILQKEMLPHVGISDFCETKKAFYLGYMVHRLLLAALGRRELDDRDHYGNKRLDLAGPLLSLLFRGLFRNLLKEVRMVAQKYINKVGDFNLELCVRTSIITKGLQYSLATGNWGDQKKAHQSRAGVSQVLNRLTYAASLSHLRRLNSPIGREGKLAKPRQLHNTLWGMICPAETPEGQAVGLVKNLALMAYISVGSQPAPILEFLEEWSMENLEEVAPSAIASATKIFVNGCWVGIHRDPEQLMTTLRKLRRQMDIVVSEVSMVRDIRDREIRIYTDAGRVCRPLLIVENNRLLLKKKHIDSLKEHDFSSYTWSDLVANGVVEYIDTMEEETIMVAMTPDDLPSVKGAGYCDSYSHCEIHPSMILGVCASIIPFPDHNQSPRNTYQSAMGKQAMGIYTTNFHVRMDTLAHVLWYPQKPLVTTRAMEYLRFNDLPAGINAIVAILSYTGYNQEDSVIMNSSAIDRGLFRSTFYRSYRDQEANRDNYNEELIEKPSRDQCQGMRHAMYEKLDSDGIVAPGTRVSGDDVIIGKTIMLPENEDDELEQSSKRFTKRDASTFLRSSETGIVDQVMVSLNADGNKFVKVRVRSIRVPQMGDKFASRHGQKGTIGMTYRQEDMPFTCEGITPDIIINPHAIPSRMTIGHLIECLQGKVSANKGEIGDATPFNDTVNVQQISSLLQEYGYQLRGNEVMYNGFTGRKLNSQVNDNQVFIGPTYYQRLKHMVDDKIHSRARGPLQMMARQPMEGRSRDGGLRFGEMERDCQIAHGAALFLKERLFEVSDPYVVFVCNKCGLVAIANVRTNNFECRGCRNKTEITRVRMPYACKLLFQELMSMCIAPRMVI
					

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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	39.7	Very low	40.1	Very low	240 Å²	240	173.6 Å²	173.6	100%	1.182	87%	0.868	S	S	*	*				0	130.5	0	-87.1	179.5	170.8	0	0	107.3
2	L	38	Very low	39.8	Very low	173 Å²	173	172 Å²	172	91%	0.906	87%	0.865	S	S	*	*			trans	82.5	79.3	-178.7	-52	175.1	0	0	0	115.7
3	T	35.4	Very low	39.6	Very low	122 Å²	122	171 Å²	171	75%	0.748	86%	0.855	S	S	*	*			trans	-59.2	143	142.7	44	0	0	0	0	110.9
4	D	48.1	Very low	39.5	Very low	167 Å²	167	166.1 Å²	166.1	89%	0.893	85%	0.846	S	S	*	*			trans	-148.5	127.1	142	-89.4	-30.9	0	0	0	108.5
5	D	39.5	Very low	39.4	Very low	152 Å²	152	168.5 Å²	168.5	81%	0.813	85%	0.848	S	S	*	*			trans	-72.9	148.8	178.8	-69.1	-59.8	0	0	0	111.6
6	E	43.3	Very low	39.5	Very low	185 Å²	185	164.9 Å²	164.9	86%	0.864	84%	0.837	S	S	*	*			trans	-171	117.6	134.5	-105.2	174	-168	0	0	112.7
7	E	43.7	Very low	39.7	Very low	168 Å²	168	162.9 Å²	162.9	79%	0.785	83%	0.829	S	S	*	*			trans	73.2	127.5	151.9	-60	-165.6	155.5	0	0	123.1	R9	E7-R9 PolarHBondContact O-N 2.76Å
8	P	38.6	Very low	40.1	Very low	135 Å²	135	161.3 Å²	161.3	88%	0.877	82%	0.823	S	S	*	*			trans	-86.1	109.2	175.3	34.4	-28.5	0	0	0	110.8
9	R	39.9	Very low	40.9	Very low	234 Å²	234	159.8 Å²	159.8	88%	0.883	82%	0.817	S	S	*	*			trans	-82.4	119.6	167.7	-74.2	-176.2	177.1	-179.9	0.2	110.7	E7 R11	E7-R9 PolarHBondContact O-N 2.76Å; R9-R11 PolarHBondContact O-N 2.98Å
10	S	38.2	Very low	41.8	Very low	106 Å²	106	156.9 Å²	156.9	74%	0.741	80%	0.801	S	S	*	*			trans	-39.1	120.2	169.5	51.7	0	0	0	0	113.6	N12	S10-N12 PolarHBondContact O-N 3.25Å
11	R	36.5	Very low	43	Very low	228 Å²	228	153.8 Å²	153.8	86%	0.86	78%	0.784	S	S	*	*			trans	-75.2	97.5	162.2	-80	-178.5	174.6	179	-2	109	R9	R9-R11 PolarHBondContact O-N 2.98Å
12	N	36.8	Very low	44.4	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	74%	0.736	S	S	*	*			trans	-84.4	102.3	153	-88.8	-8.1	0	0	0	107.1	S10 S14	S10-N12 PolarHBondContact O-N 3.25Å; N12-S14 PolarHBondContact O-N 3.04Å
13	E	37.6	Very low	45.8	Very low	159 Å²	159	139.8 Å²	139.8	74%	0.743	72%	0.717	S	S	*	*			trans	-66.6	116.3	163.6	-72	175.2	170.3	0	0	107.9	F15	E13-F15 PolarHBondContact O-N 3.18Å
14	S	37.1	Very low	47.2	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	70%	0.695	S	S	*	*			trans	-81.1	112	170.5	31.1	0	0	0	0	107.9	N12 V16	N12-S14 PolarHBondContact O-N 3.04Å; S14-V16 PolarHBondContact O-N 2.8Å
15	F	38.3	Very low	48.1	Very low	201 Å²	201	134.7 Å²	134.7	88%	0.882	69%	0.692	S	S	*	*			trans	-61.2	114	160.5	-79.3	-97.6	0	0	0	107.6	E13	E13-F15 PolarHBondContact O-N 3.18Å
16	V	41.9	Very low	50	Low	111 Å²	111	130.6 Å²	130.6	67%	0.673	67%	0.67	S	S	*	*			trans	-84.6	117	172.1	178.4	0	0	0	0	106.9	S14 D18	S14-V16 PolarHBondContact O-N 2.8Å; V16-D18 PolarHBondContact O-N 3.18Å; V16-D18 VanDerWaalsContact O-N 3.12Å
17	D	41.5	Very low	52	Low	131 Å²	131	122.7 Å²	122.7	70%	0.701	63%	0.632	S	S	*	*			trans	-60.5	106.6	177.8	-93.3	-35.3	0	0	0	111.1	D19	D17-D19 PolarHBondContact O-N 3.32Å
18	D	47.8	Very low	53.8	Low	134 Å²	134	117.3 Å²	117.3	72%	0.717	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-3.4	177.3	-95.5	-21.1	0	0	0	114	V16	V16-D18 PolarHBondContact O-N 3.18Å; V16-D18 VanDerWaalsContact O-N 3.12Å
19	D	55.7	Low	56	Low	134 Å²	134	115.6 Å²	115.6	72%	0.717	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	16.5	-175.3	-82.5	-27.8	0	0	0	114.4	D17 E21	D17-D19 PolarHBondContact O-N 3.32Å; D19-E21 PolarHBondContact O-N 3.39Å
20	M	58.3	Low	58.4	Low	100 Å²	100	104.5 Å²	104.5	49%	0.493	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-57.8	122.7	-178.5	-75.1	-162	-70	0	0	112.7
21	E	67.1	Low	60.9	Low	93 Å²	93	99.5 Å²	99.5	44%	0.435	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-62.6	146	171.3	-73.6	-177.9	172.2	0	0	110.9	D19 T23 R637	D19-E21 PolarHBondContact O-N 3.39Å; E21-T23 PolarHBondContact O-N 3.42Å; E21-R637 VanDerWaalsContact OE1-CD 3.26Å; E21-R637 WeakPolarHBondContact OE1-CD 3.14Å; E21-R637 IonicContact OE1-CZ 3Å; E21-R637 IonicContact OE1-NE 2.77Å; E21-R637 PolarHBondContact OE1-NE 3.11Å; E21-R637 IonicContact OE1-NH1 3.96Å; E21-R637 PolarHBondContact OE1-NH1 3.42Å
22	I	68.8	Low	63.6	Low	36 Å²	36	89.4 Å²	89.4	19%	0.185	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-70.9	118.6	178.2	-62.1	173.6	0	0	0	107.9	L26 W27 L640 I645	I22-L26 HydrophobicContact CG2-CB 4.16Å; I22-W27 HydrophobicContact CG2-CB 4.47Å; I22-W27 HydrophobicContact CG2-CE3 4.33Å; I22-L640 HydrophobicContact CD1-CD2 3.77Å; I22-L640 HydrophobicContact CD1-CG 3.92Å; I22-I645 HydrophobicContact CD1-CG1 4.27Å
23	T	66.9	Low	66.2	Low	83 Å²	83	83.5 Å²	83.5	51%	0.509	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-72.9	152.3	172.8	56.2	0	0	0	0	110.8	E21 D25 L26 W27	E21-T23 PolarHBondContact O-N 3.42Å; T23-D25 PolarHBondContact O-N 3.1Å; T23-L26 WeakPolarHBondContact O-CB 3.48Å; T23-L26 PolarHBondContact O-N 3.5Å; T23-W27 PolarHBondContact O-N 3.37Å; T23-W27 VanDerWaalsContact O-N 3.07Å
24	G	66.3	Low	68.8	Low	28 Å²	28	76 Å²	76	29%	0.289	41%	0.407	S	S	.	.	H	α-helix	trans	-54.1	-37	179.6	0	0	0	0	0	113.7	L26 W27 D685	G24-L26 VanDerWaalsContact C-N 3.32Å; G24-L26 PolarHBondContact O-N 3.33Å; G24-W27 WeakPolarHBondContact O-CB 3.47Å; G24-W27 PolarHBondContact O-N 2.68Å; G24-W27 VanDerWaalsContact O-N 3.15Å; G24-D685 WeakPolarHBondContact CA-OD1 3.18Å
25	D	66	Low	71.5	Confident	153 Å²	153	71.1 Å²	71.1	82%	0.818	37%	0.373	S	S	*	.	H	α-helix	trans	-64.9	-36	176.2	-65.7	-21.3	0	0	0	112.7	T23 W27	T23-D25 PolarHBondContact O-N 3.1Å; D25-W27 VanDerWaalsContact C-N 3.29Å
26	L	79.2	Confident	74.2	Confident	67 Å²	67	63 Å²	63	35%	0.351	34%	0.341	S	S	.	.	H	α-helix	trans	-76.4	-22.1	177.8	-123.4	126.6	0	0	0	111.7	I22 T23 G24 Q28 E29 A30	I22-L26 HydrophobicContact CG2-CB 4.16Å; T23-L26 WeakPolarHBondContact O-CB 3.48Å; T23-L26 PolarHBondContact O-N 3.5Å; G24-L26 VanDerWaalsContact C-N 3.32Å; G24-L26 PolarHBondContact O-N 3.33Å; L26-Q28 PolarHBondContact O-N 3.1Å; L26-E29 PolarHBondContact O-N 2.85Å; L26-A30 VanDerWaalsContact O-CB 3.25Å; L26-A30 WeakPolarHBondContact O-CB 3.35Å; L26-A30 PolarHBondContact O-N 2.69Å
27	W	85.1	Confident	76.5	Confident	19 Å²	19	58.5 Å²	58.5	7%	0.072	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-44	-179	178	-115.2	0	0	0	112.2	I22 T23 G24 D25 E29 A30 C31 L631 L640 P684 I704	I22-W27 HydrophobicContact CG2-CB 4.47Å; I22-W27 HydrophobicContact CG2-CE3 4.33Å; T23-W27 PolarHBondContact O-N 3.37Å; T23-W27 VanDerWaalsContact O-N 3.07Å; G24-W27 WeakPolarHBondContact O-CB 3.47Å; G24-W27 PolarHBondContact O-N 2.68Å; G24-W27 VanDerWaalsContact O-N 3.15Å; D25-W27 VanDerWaalsContact C-N 3.29Å; W27-E29 VanDerWaalsContact C-N 3.26Å; W27-E29 PolarHBondContact O-N 2.94Å; W27-A30 PolarHBondContact O-N 2.86Å; W27-C31 HydrophobicContact CD2-CB 4.39Å; W27-C31 HydrophobicContact CH2-CB 4.13Å; W27-C31 HydrophobicContact CZ2-CB 3.85Å; W27-C31 PolarHBondContact O-N 3.01Å; W27-C31 PolarHBondContact O-SG 2.84Å; W27-L631 HydrophobicContact CH2-CD1 3.37Å; W27-L631 HydrophobicContact CZ2-CD1 4.13Å; W27-L631 HydrophobicContact CZ3-CD1 4.27Å; W27-L640 HydrophobicContact CH2-CD2 4.47Å; W27-L640 HydrophobicContact CZ3-CD2 3.79Å; W27-P684 HydrophobicContact CD2-CB 4.5Å; W27-P684 HydrophobicContact CD2-CG 3.49Å; W27-P684 VanDerWaalsContact CD2-CG 3.49Å; W27-P684 VanDerWaalsContact CE2-CD 3.45Å; W27-P684 HydrophobicContact CE3-CG 3.93Å; W27-P684 HydrophobicContact CG-CG 3.93Å; W27-P684 HydrophobicContact CH2-CG 4.08Å; W27-P684 HydrophobicContact CZ2-CG 3.6Å; W27-P684 HydrophobicContact CZ3-CG 4.22Å; W27-I704 VanDerWaalsContact CZ2-O 3.3Å; W27-I704 WeakPolarHBondContact CZ2-O 3.32Å
28	Q	81.8	Confident	79.1	Confident	55 Å²	55	52.6 Å²	52.6	26%	0.257	28%	0.283	S	S	.	.	H	α-helix	trans	-57.2	-39.8	-177.8	-71.3	-151.2	-17.8	0	0	111.9	L26 C31 N1010 T1012	L26-Q28 PolarHBondContact O-N 3.1Å; Q28-C31 PolarHBondContact O-SG 3.34Å; Q28-N1010 PolarHBondContact NE2-OD1 2.84Å; Q28-N1010 PolarHBondContact OE1-OD1 3.08Å; Q28-T1012 PolarHBondContact OE1-OG1 3.31Å
29	E	85.9	Confident	81.2	Confident	99 Å²	99	46.9 Å²	46.9	46%	0.463	25%	0.252	S	S	.	.	H	α-helix	trans	-82.1	-39	175.7	-65.8	-54.7	144.8	0	0	112.6	L26 W27 C31 W32 V33 R768	L26-E29 PolarHBondContact O-N 2.85Å; W27-E29 VanDerWaalsContact C-N 3.26Å; W27-E29 PolarHBondContact O-N 2.94Å; E29-C31 VanDerWaalsContact C-N 3.35Å; E29-C31 PolarHBondContact O-N 3.32Å; E29-W32 PolarHBondContact O-N 3.38Å; E29-V33 PolarHBondContact O-N 3.44Å; E29-R768 VanDerWaalsContact CD-NH1 3.33Å; E29-R768 IonicContact OE1-CZ 2.64Å; E29-R768 IonicContact OE1-NH1 3Å; E29-R768 PolarHBondContact OE1-NH1 2.88Å; E29-R768 VanDerWaalsContact OE1-NH1 3.16Å; E29-R768 IonicContact OE1-NH2 3.96Å; E29-R768 PolarHBondContact OE1-NH2 3.16Å; E29-R768 IonicContact OE2-CZ 2.84Å; E29-R768 IonicContact OE2-NH1 3.7Å; E29-R768 PolarHBondContact OE2-NH1 2.94Å; E29-R768 IonicContact OE2-NH2 3.98Å
30	A	89	Confident	82.9	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-41.5	-177.7	0	0	0	0	0	112.8	L26 W27 W32 V33 I34 I645	L26-A30 VanDerWaalsContact O-CB 3.25Å; L26-A30 WeakPolarHBondContact O-CB 3.35Å; L26-A30 PolarHBondContact O-N 2.69Å; W27-A30 PolarHBondContact O-N 2.86Å; A30-W32 VanDerWaalsContact C-N 3.33Å; A30-W32 PolarHBondContact O-N 3.03Å; A30-V33 PolarHBondContact O-N 3.03Å; A30-I34 WeakPolarHBondContact O-CG1 3.34Å; A30-I34 PolarHBondContact O-N 3.35Å; A30-I645 HydrophobicContact CB-CD1 4.09Å; A30-I645 HydrophobicContact CB-CG1 4.09Å; A30-I645 HydrophobicContact CB-CG2 4.28Å
31	C	91.8	Very high	84.3	Confident	1 Å²	1	45 Å²	45	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-37.4	-179.9	62.5	0	0	0	0	112.7	W27 Q28 E29 I34 I35 I704	W27-C31 HydrophobicContact CD2-CB 4.39Å; W27-C31 HydrophobicContact CH2-CB 4.13Å; W27-C31 HydrophobicContact CZ2-CB 3.85Å; W27-C31 PolarHBondContact O-N 3.01Å; W27-C31 PolarHBondContact O-SG 2.84Å; Q28-C31 PolarHBondContact O-SG 3.34Å; E29-C31 VanDerWaalsContact C-N 3.35Å; E29-C31 PolarHBondContact O-N 3.32Å; C31-I34 PolarHBondContact O-N 3.38Å; C31-I35 WeakPolarHBondContact O-CD1 3.48Å; C31-I35 VanDerWaalsContact O-CG1 3.22Å; C31-I35 WeakPolarHBondContact O-CG1 3.06Å; C31-I35 PolarHBondContact O-N 2.82Å; C31-I704 HydrophobicContact CB-CG2 4.43Å; C31-I704 WeakPolarHBondContact CB-O 3.27Å
32	W	92.4	Very high	85.4	Confident	15 Å²	15	42.7 Å²	42.7	6%	0.057	23%	0.23	C	C	.	.	H	α-helix	trans	-72.5	-31.4	177.4	-67.8	100	0	0	0	112.9	E29 A30 I34 I35 S36 H705 S707 M708 R768 A769 Y772 T1007	E29-W32 PolarHBondContact O-N 3.38Å; A30-W32 VanDerWaalsContact C-N 3.33Å; A30-W32 PolarHBondContact O-N 3.03Å; W32-I34 VanDerWaalsContact C-N 3.32Å; W32-I34 PolarHBondContact O-N 2.8Å; W32-I35 HydrophobicContact CD2-CD1 4.34Å; W32-I35 HydrophobicContact CE3-CD1 4.13Å; W32-I35 HydrophobicContact CZ3-CD1 4.35Å; W32-I35 PolarHBondContact O-N 3.28Å; W32-S36 WeakPolarHBondContact O-CB 3.44Å; W32-S36 PolarHBondContact O-N 3.34Å; W32-S36 PolarHBondContact O-OG 3.24Å; W32-H705 AromaticContact CZ2-CD2 3.89Å; W32-H705 AromaticContact CZ2-CE1 3.79Å; W32-H705 AromaticContact CZ2-CG 3.95Å; W32-H705 AromaticContact CZ2-ND1 3.87Å; W32-H705 AromaticContact CZ2-NE2 3.77Å; W32-H705 AromaticContact NE1-CD2 3.93Å; W32-S707 WeakPolarHBondContact CH2-OG 3.49Å; W32-M708 HydrophobicContact CH2-CE 3.64Å; W32-M708 HydrophobicContact CZ3-CE 3.67Å; W32-R768 HydrophobicContact CD2-CB 3.73Å; W32-R768 HydrophobicContact CD2-CG 4.31Å; W32-R768 VanDerWaalsContact CE2-CD 3.4Å; W32-R768 HydrophobicContact CE3-CB 3.53Å; W32-R768 HydrophobicContact CH2-CB 3.73Å; W32-R768 HydrophobicContact CZ2-CB 3.91Å; W32-R768 HydrophobicContact CZ3-CB 3.52Å; W32-R768 VanDerWaalsContact NE1-CD 3.28Å; W32-A769 HydrophobicContact CZ3-CB 4.43Å; W32-Y772 AromaticContact CE3-CE2 3.75Å; W32-Y772 HydrophobicContact CE3-CE2 3.75Å; W32-Y772 AromaticContact CZ3-CE2 3.8Å; W32-Y772 HydrophobicContact CZ3-CE2 3.8Å; W32-Y772 PolarHBondContact O-OH 2.94Å; W32-T1007 HydrophobicContact CH2-CG2 4.04Å; W32-T1007 HydrophobicContact CZ2-CG2 3.5Å
33	V	92.3	Very high	86.5	Confident	31 Å²	31	42.5 Å²	42.5	19%	0.188	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-42.8	172.2	176.3	0	0	0	0	110.6	E29 A30 S36 A37 L648 K649	E29-V33 PolarHBondContact O-N 3.44Å; A30-V33 PolarHBondContact O-N 3.03Å; V33-S36 WeakPolarHBondContact O-CB 3.45Å; V33-S36 PolarHBondContact O-N 3.32Å; V33-A37 PolarHBondContact O-N 3.15Å; V33-A37 VanDerWaalsContact O-N 3.08Å; V33-L648 HydrophobicContact CG1-CB 3.96Å; V33-K649 HydrophobicContact CG1-CG 4.09Å; V33-K649 HydrophobicContact CG2-CG 4.43Å
34	I	92.5	Very high	87.7	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-44.3	176.3	-61.6	167	0	0	0	111	A30 C31 W32 S36 A37 Y38 L640 I645 L648 W658 L661 I704	A30-I34 WeakPolarHBondContact O-CG1 3.34Å; A30-I34 PolarHBondContact O-N 3.35Å; C31-I34 PolarHBondContact O-N 3.38Å; W32-I34 VanDerWaalsContact C-N 3.32Å; W32-I34 PolarHBondContact O-N 2.8Å; I34-S36 VanDerWaalsContact C-N 3.3Å; I34-S36 PolarHBondContact O-N 3.3Å; I34-A37 PolarHBondContact O-N 2.87Å; I34-Y38 PolarHBondContact O-N 2.86Å; I34-L640 HydrophobicContact CD1-CD1 4.12Å; I34-L640 HydrophobicContact CD1-CD2 3.44Å; I34-L640 VanDerWaalsContact CD1-CD2 3.44Å; I34-L640 HydrophobicContact CD1-CG 4.43Å; I34-I645 HydrophobicContact CD1-CD1 3.78Å; I34-I645 HydrophobicContact CG1-CD1 3.66Å; I34-L648 HydrophobicContact CG1-CD1 4.33Å; I34-W658 HydrophobicContact CG2-CE3 4.38Å; I34-W658 HydrophobicContact CG2-CZ3 3.68Å; I34-L661 HydrophobicContact CG2-CD1 4.47Å; I34-I704 HydrophobicContact CG2-CG2 4.44Å
35	I	93.9	Very high	89	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-35.7	178.7	-65.5	164.3	0	0	0	111	C31 W32 Y38 F39 M534 I704 H705 M708 Y772	C31-I35 WeakPolarHBondContact O-CD1 3.48Å; C31-I35 VanDerWaalsContact O-CG1 3.22Å; C31-I35 WeakPolarHBondContact O-CG1 3.06Å; C31-I35 PolarHBondContact O-N 2.82Å; W32-I35 HydrophobicContact CD2-CD1 4.34Å; W32-I35 HydrophobicContact CE3-CD1 4.13Å; W32-I35 HydrophobicContact CZ3-CD1 4.35Å; W32-I35 PolarHBondContact O-N 3.28Å; I35-Y38 WeakPolarHBondContact O-CB 3.31Å; I35-Y38 PolarHBondContact O-N 3.11Å; I35-F39 HydrophobicContact CG2-CD2 3.58Å; I35-F39 HydrophobicContact CG2-CE2 3.4Å; I35-F39 VanDerWaalsContact CG2-CE2 3.4Å; I35-F39 VanDerWaalsContact O-CD2 3.27Å; I35-F39 WeakPolarHBondContact O-CD2 3.45Å; I35-F39 PolarHBondContact O-N 2.86Å; I35-F39 VanDerWaalsContact O-N 3.07Å; I35-M534 HydrophobicContact CG1-SD 4.31Å; I35-I704 HydrophobicContact CD1-CG2 3.97Å; I35-I704 HydrophobicContact CG1-CG2 3.69Å; I35-H705 HydrophobicContact CD1-CB 3.83Å; I35-M708 HydrophobicContact CD1-CE 4.03Å; I35-M708 HydrophobicContact CD1-CG 4.17Å; I35-M708 HydrophobicContact CD1-SD 4.18Å; I35-M708 HydrophobicContact CG2-CE 4.34Å; I35-M708 HydrophobicContact CG2-SD 4.03Å; I35-Y772 HydrophobicContact CB-CE2 4.28Å; I35-Y772 HydrophobicContact CG2-CD2 4.06Å; I35-Y772 HydrophobicContact CG2-CE2 3.36Å
36	S	93.3	Very high	90.2	Very high	32 Å²	32	35 Å²	35	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-52.1	174.4	-58.9	0	0	0	0	110.5	W32 V33 I34 Y38 F39 D40 Y772	W32-S36 WeakPolarHBondContact O-CB 3.44Å; W32-S36 PolarHBondContact O-N 3.34Å; W32-S36 PolarHBondContact O-OG 3.24Å; V33-S36 WeakPolarHBondContact O-CB 3.45Å; V33-S36 PolarHBondContact O-N 3.32Å; I34-S36 VanDerWaalsContact C-N 3.3Å; I34-S36 PolarHBondContact O-N 3.3Å; S36-Y38 PolarHBondContact O-N 2.84Å; S36-F39 PolarHBondContact O-N 3.49Å; S36-D40 WeakPolarHBondContact O-CB 3.25Å; S36-D40 VanDerWaalsContact O-CG 3.29Å; S36-D40 PolarHBondContact O-N 3.18Å; S36-Y772 PolarHBondContact N-OH 2.92Å; S36-Y772 WeakPolarHBondContact OG-CE1 3.3Å; S36-Y772 PolarHBondContact OG-OH 2.83Å
37	A	91.9	Very high	90.8	Very high	15 Å²	15	32.2 Å²	32.2	12%	0.124	17%	0.167	C	C	.	.	H	α-helix	trans	-56.2	-37.2	176.9	0	0	0	0	0	112.6	V33 I34 E41 L648	V33-A37 PolarHBondContact O-N 3.15Å; V33-A37 VanDerWaalsContact O-N 3.08Å; I34-A37 PolarHBondContact O-N 2.87Å; A37-E41 PolarHBondContact O-N 3.18Å; A37-L648 HydrophobicContact CB-CD2 3.91Å
38	Y	94.3	Very high	91.2	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-50.1	173.9	175.9	-95.8	0	0	0	112.6	I34 I35 S36 K42 M534 P629 W658	I34-Y38 PolarHBondContact O-N 2.86Å; I35-Y38 WeakPolarHBondContact O-CB 3.31Å; I35-Y38 PolarHBondContact O-N 3.11Å; S36-Y38 PolarHBondContact O-N 2.84Å; Y38-K42 HydrophobicContact CD2-CG 4.19Å; Y38-K42 HydrophobicContact CE2-CB 4.48Å; Y38-K42 HydrophobicContact CE2-CG 3.92Å; Y38-K42 WeakPolarHBondContact O-CB 3.48Å; Y38-K42 PolarHBondContact O-N 3Å; Y38-M534 HydrophobicContact CD1-CE 3.83Å; Y38-M534 HydrophobicContact CD1-CG 4.35Å; Y38-M534 HydrophobicContact CD2-CE 3.99Å; Y38-M534 HydrophobicContact CE1-CB 4.38Å; Y38-M534 HydrophobicContact CE1-CE 4.28Å; Y38-M534 HydrophobicContact CE1-CG 4.23Å; Y38-M534 HydrophobicContact CE2-CE 4.41Å; Y38-M534 HydrophobicContact CG-CE 3.67Å; Y38-M534 PolarHBondContact OH-O 3.31Å; Y38-P629 HydrophobicContact CE2-CG 4.22Å; Y38-W658 AromaticContact CD2-CD2 3.85Å; Y38-W658 HydrophobicContact CD2-CD2 3.85Å; Y38-W658 AromaticContact CD2-CE2 3.54Å; Y38-W658 HydrophobicContact CD2-CE3 4.26Å; Y38-W658 HydrophobicContact CD2-CG 4.37Å; Y38-W658 HydrophobicContact CD2-CH2 4.01Å; Y38-W658 AromaticContact CD2-CZ2 3.63Å; Y38-W658 HydrophobicContact CD2-CZ2 3.63Å; Y38-W658 HydrophobicContact CD2-CZ3 4.32Å; Y38-W658 AromaticContact CD2-NE1 3.89Å; Y38-W658 HydrophobicContact CE2-CZ2 4.21Å; Y38-W658 HydrophobicContact CG-CD2 4.5Å
39	F	93.7	Very high	91.9	Very high	15 Å²	15	29.6 Å²	29.6	7%	0.066	16%	0.156	C	C	.	.	H	α-helix	trans	-74.9	-27.4	-176.5	-75.8	-61	0	0	0	113.6	I35 S36 G43 L44 L533 M534 M708 Y772	I35-F39 HydrophobicContact CG2-CD2 3.58Å; I35-F39 HydrophobicContact CG2-CE2 3.4Å; I35-F39 VanDerWaalsContact CG2-CE2 3.4Å; I35-F39 VanDerWaalsContact O-CD2 3.27Å; I35-F39 WeakPolarHBondContact O-CD2 3.45Å; I35-F39 PolarHBondContact O-N 2.86Å; I35-F39 VanDerWaalsContact O-N 3.07Å; S36-F39 PolarHBondContact O-N 3.49Å; F39-G43 WeakPolarHBondContact O-CA 3.27Å; F39-G43 PolarHBondContact O-N 3.09Å; F39-L44 HydrophobicContact CD1-CD2 3.85Å; F39-L44 HydrophobicContact CE1-CD2 3.63Å; F39-L533 HydrophobicContact CZ-CB 4.12Å; F39-M534 HydrophobicContact CZ-CG 4.21Å; F39-M708 HydrophobicContact CE2-SD 4.33Å; F39-Y772 HydrophobicContact CB-CD1 4.13Å; F39-Y772 HydrophobicContact CB-CG 4.23Å; F39-Y772 AromaticContact CD2-CD1 3.93Å; F39-Y772 HydrophobicContact CD2-CD1 3.93Å; F39-Y772 AromaticContact CD2-CD2 3.46Å; F39-Y772 HydrophobicContact CD2-CD2 3.46Å; F39-Y772 VanDerWaalsContact CD2-CD2 3.46Å; F39-Y772 HydrophobicContact CD2-CE1 4.42Å; F39-Y772 AromaticContact CD2-CE2 3.98Å; F39-Y772 HydrophobicContact CD2-CE2 3.98Å; F39-Y772 AromaticContact CD2-CG 3.42Å; F39-Y772 HydrophobicContact CD2-CG 3.42Å; F39-Y772 VanDerWaalsContact CD2-CG 3.42Å; F39-Y772 AromaticContact CE2-CD2 3.67Å; F39-Y772 HydrophobicContact CE2-CD2 3.67Å; F39-Y772 HydrophobicContact CE2-CE2 4.2Å; F39-Y772 HydrophobicContact CE2-CG 4.05Å; F39-Y772 HydrophobicContact CG-CD1 4.37Å; F39-Y772 HydrophobicContact CG-CD2 4.45Å; F39-Y772 HydrophobicContact CG-CG 4.01Å
40	D	89.7	Confident	92.3	Very high	129 Å²	129	26.1 Å²	26.1	69%	0.69	14%	0.14	S	C	*	.	H	α-helix	trans	-68	-41.2	175.2	-69.7	-26.1	0	0	0	111.3	S36	S36-D40 WeakPolarHBondContact O-CB 3.25Å; S36-D40 VanDerWaalsContact O-CG 3.29Å; S36-D40 PolarHBondContact O-N 3.18Å
41	E	89.3	Confident	92.5	Very high	64 Å²	64	26.3 Å²	26.3	30%	0.299	14%	0.141	S	C	.	.	H	α-helix	trans	-79.1	-49.8	177.4	-167.1	-164.7	119.6	0	0	112.6	A37 W658 S659	A37-E41 PolarHBondContact O-N 3.18Å; E41-W658 HydrophobicContact CB-CB 4.31Å; E41-W658 WeakPolarHBondContact OE2-CB 3.44Å; E41-W658 PolarHBondContact OE2-N 2.97Å; E41-S659 VanDerWaalsContact CD-OG 3.25Å; E41-S659 PolarHBondContact OE1-OG 2.81Å; E41-S659 PolarHBondContact OE2-N 3.46Å; E41-S659 PolarHBondContact OE2-OG 3.12Å; E41-S659 VanDerWaalsContact OE2-OG 3.08Å
42	K	89.7	Confident	92.7	Very high	46 Å²	46	26.3 Å²	26.3	20%	0.2	14%	0.141	C	C	.	.	H	α-helix	trans	-86.6	-35	-172.2	-60.1	-60.1	-179.4	-159.1	0	112.8	Y38 R46	Y38-K42 HydrophobicContact CD2-CG 4.19Å; Y38-K42 HydrophobicContact CE2-CB 4.48Å; Y38-K42 HydrophobicContact CE2-CG 3.92Å; Y38-K42 WeakPolarHBondContact O-CB 3.48Å; Y38-K42 PolarHBondContact O-N 3Å; K42-R46 VanDerWaalsContact O-CB 3.29Å; K42-R46 WeakPolarHBondContact O-CB 3.3Å; K42-R46 VanDerWaalsContact O-CD 3.29Å; K42-R46 WeakPolarHBondContact O-CD 3.49Å
43	G	91.7	Very high	92.8	Very high	32 Å²	32	26 Å²	26	33%	0.33	14%	0.141	S	C	.	.			trans	66.1	-166.1	-168.9	0	0	0	0	0	113.6	F39	F39-G43 WeakPolarHBondContact O-CA 3.27Å; F39-G43 PolarHBondContact O-N 3.09Å
44	L	92.2	Very high	92.8	Very high	17 Å²	17	25.6 Å²	25.6	9%	0.089	14%	0.137	C	C	.	.	S	Bend	trans	-101.3	-14.7	-171.7	-68.3	171.6	0	0	0	115.5	F39 L484 R488 L773	F39-L44 HydrophobicContact CD1-CD2 3.85Å; F39-L44 HydrophobicContact CE1-CD2 3.63Å; L44-L484 HydrophobicContact CB-CD2 4.2Å; L44-L484 HydrophobicContact CD1-CD1 3.73Å; L44-L484 HydrophobicContact CD1-CD2 3.91Å; L44-L484 HydrophobicContact CD1-CG 4.45Å; L44-R488 VanDerWaalsContact O-CD 3.31Å; L44-R488 WeakPolarHBondContact O-CD 3.48Å; L44-R488 PolarHBondContact O-NE 2.81Å; L44-L773 HydrophobicContact CD1-CD2 3.78Å; L44-L773 HydrophobicContact CD2-CD2 4.17Å
45	V	93.6	Very high	92.9	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.042	14%	0.137	C	C	.	.	S	Bend	trans	-123.1	18.2	-173.2	-62	0	0	0	0	113.2	Q47 Q48 L49 P186 L484 L487	V45-Q47 VanDerWaalsContact C-N 3.26Å; V45-Q47 PolarHBondContact O-N 2.87Å; V45-Q48 PolarHBondContact O-N 3.38Å; V45-L49 HydrophobicContact CG2-CD1 4.25Å; V45-L49 PolarHBondContact O-N 3.08Å; V45-P186 HydrophobicContact CG1-CB 3.93Å; V45-P186 HydrophobicContact CG1-CG 4.46Å; V45-P186 HydrophobicContact CG2-CB 3.81Å; V45-P186 VanDerWaalsContact CG2-O 3.26Å; V45-P186 WeakPolarHBondContact CG2-O 3.09Å; V45-L484 HydrophobicContact CG1-CD2 4.46Å; V45-L487 HydrophobicContact CG1-CB 3.84Å; V45-L487 HydrophobicContact CG1-CD1 3.84Å; V45-L487 HydrophobicContact CG1-CG 4.4Å
46	R	90.8	Very high	92.9	Very high	83 Å²	83	26.6 Å²	26.6	31%	0.313	14%	0.142	S	C	.	.	H	α-helix	trans	-53.9	-41.8	-173.3	-161.2	68.8	-153.3	172.4	4.2	113.1	K42 Q48 L49 D50	K42-R46 VanDerWaalsContact O-CB 3.29Å; K42-R46 WeakPolarHBondContact O-CB 3.3Å; K42-R46 VanDerWaalsContact O-CD 3.29Å; K42-R46 WeakPolarHBondContact O-CD 3.49Å; R46-Q48 PolarHBondContact O-N 3.06Å; R46-Q48 VanDerWaalsContact O-N 3.12Å; R46-L49 PolarHBondContact O-N 3.4Å; R46-D50 WeakPolarHBondContact CG-OD2 3.36Å; R46-D50 IonicContact CZ-OD1 3.11Å; R46-D50 VanDerWaalsContact NE-CG 3.26Å; R46-D50 IonicContact NE-OD1 2.64Å; R46-D50 PolarHBondContact NE-OD1 2.84Å; R46-D50 IonicContact NE-OD2 3.94Å; R46-D50 PolarHBondContact NE-OD2 2.92Å; R46-D50 VanDerWaalsContact NE-OD2 3.12Å; R46-D50 IonicContact NH2-OD1 3.93Å; R46-D50 PolarHBondContact NH2-OD1 3.38Å; R46-D50 WeakPolarHBondContact O-CB 3.14Å; R46-D50 PolarHBondContact O-N 2.9Å
47	Q	91.8	Very high	92.8	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-55.8	-33.6	178.9	70.9	-73.6	-4.4	0	0	113.5	V45 S51 L400 L531 I537	V45-Q47 VanDerWaalsContact C-N 3.26Å; V45-Q47 PolarHBondContact O-N 2.87Å; Q47-S51 WeakPolarHBondContact O-CB 3.41Å; Q47-S51 PolarHBondContact O-N 3.42Å; Q47-L400 HydrophobicContact CB-CD1 4.08Å; Q47-L400 WeakPolarHBondContact O-CD1 3.39Å; Q47-L531 HydrophobicContact CG-CD1 4.22Å; Q47-I537 HydrophobicContact CB-CB 4.17Å; Q47-I537 HydrophobicContact CB-CD1 4.14Å; Q47-I537 HydrophobicContact CB-CG1 4.25Å; Q47-I537 HydrophobicContact CG-CD1 4.12Å
48	Q	94.2	Very high	92.7	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-76.2	-41.6	178.2	-65.9	-72.5	-2	0	0	111.2	V45 R46 F52 M160 L199 L487	V45-Q48 PolarHBondContact O-N 3.38Å; R46-Q48 PolarHBondContact O-N 3.06Å; R46-Q48 VanDerWaalsContact O-N 3.12Å; Q48-F52 WeakPolarHBondContact O-CB 3.49Å; Q48-F52 PolarHBondContact O-N 2.87Å; Q48-F52 VanDerWaalsContact O-N 3.16Å; Q48-M160 HydrophobicContact CB-CE 4.37Å; Q48-M160 HydrophobicContact CB-SD 4.18Å; Q48-M160 VanDerWaalsContact O-SD 3.41Å; Q48-L199 PolarHBondContact NE2-O 3.43Å; Q48-L199 VanDerWaalsContact NE2-O 3.08Å; Q48-L487 PolarHBondContact NE2-O 3.29Å; Q48-L487 VanDerWaalsContact NE2-O 3.14Å
49	L	95.4	Very high	92.4	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-68.2	-53.5	-179.5	-62.6	176.6	0	0	0	110.8	V45 R46 S51 F52 D53 M160 L161	V45-L49 HydrophobicContact CG2-CD1 4.25Å; V45-L49 PolarHBondContact O-N 3.08Å; R46-L49 PolarHBondContact O-N 3.4Å; L49-S51 VanDerWaalsContact C-N 3.31Å; L49-S51 PolarHBondContact O-N 3.4Å; L49-F52 CarbonylContact O-C 3.53Å; L49-F52 PolarHBondContact O-N 3.01Å; L49-D53 WeakPolarHBondContact O-CB 3.25Å; L49-D53 VanDerWaalsContact O-CG 3.3Å; L49-D53 PolarHBondContact O-N 3.14Å; L49-M160 HydrophobicContact CD2-CG 4.34Å; L49-M160 HydrophobicContact CD2-SD 3.91Å; L49-L161 WeakPolarHBondContact CD2-O 3.22Å
50	D	94	Very high	92.3	Very high	26 Å²	26	32.9 Å²	32.9	14%	0.139	17%	0.168	C	C	.	.	H	α-helix	trans	-60.2	-42	-179.3	-74.4	-15.8	0	0	0	111.7	R46 F52 D53 E54 V539	R46-D50 WeakPolarHBondContact CG-OD2 3.36Å; R46-D50 IonicContact CZ-OD1 3.11Å; R46-D50 VanDerWaalsContact NE-CG 3.26Å; R46-D50 IonicContact NE-OD1 2.64Å; R46-D50 PolarHBondContact NE-OD1 2.84Å; R46-D50 IonicContact NE-OD2 3.94Å; R46-D50 PolarHBondContact NE-OD2 2.92Å; R46-D50 VanDerWaalsContact NE-OD2 3.12Å; R46-D50 IonicContact NH2-OD1 3.93Å; R46-D50 PolarHBondContact NH2-OD1 3.38Å; R46-D50 WeakPolarHBondContact O-CB 3.14Å; R46-D50 PolarHBondContact O-N 2.9Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.45Å; D50-D53 PolarHBondContact O-N 3.03Å; D50-E54 WeakPolarHBondContact O-CB 3.46Å; D50-E54 PolarHBondContact O-N 2.92Å; D50-V539 HydrophobicContact CB-CG1 3.61Å
51	S	94	Very high	92.4	Very high	5 Å²	5	28 Å²	28	4%	0.035	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-35.2	176.4	-175.4	0	0	0	0	112.5	Q47 L49 F55 L400 G402 P403	Q47-S51 WeakPolarHBondContact O-CB 3.41Å; Q47-S51 PolarHBondContact O-N 3.42Å; L49-S51 VanDerWaalsContact C-N 3.31Å; L49-S51 PolarHBondContact O-N 3.4Å; S51-F55 WeakPolarHBondContact O-CB 3.37Å; S51-F55 PolarHBondContact O-N 3.35Å; S51-L400 VanDerWaalsContact OG-CB 3.27Å; S51-L400 WeakPolarHBondContact OG-CB 3.34Å; S51-G402 WeakPolarHBondContact O-CA 3.48Å; S51-G402 WeakPolarHBondContact OG-CA 3.44Å; S51-G402 PolarHBondContact OG-N 3.29Å; S51-P403 WeakPolarHBondContact OG-CD 3.43Å
52	F	96	Very high	92.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-75.3	-38.6	175.9	-179	-98.3	0	0	0	112.2	Q48 L49 D50 F55 I56 I159 M160 F190 L405	Q48-F52 WeakPolarHBondContact O-CB 3.49Å; Q48-F52 PolarHBondContact O-N 2.87Å; Q48-F52 VanDerWaalsContact O-N 3.16Å; L49-F52 CarbonylContact O-C 3.53Å; L49-F52 PolarHBondContact O-N 3.01Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.45Å; F52-F55 HydrophobicContact CD2-CD1 4.25Å; F52-F55 HydrophobicContact CE2-CD1 4.23Å; F52-F55 WeakPolarHBondContact O-CB 3.38Å; F52-F55 PolarHBondContact O-N 3.03Å; F52-I56 HydrophobicContact CD1-CG1 4.34Å; F52-I56 HydrophobicContact CE1-CG1 3.83Å; F52-I56 HydrophobicContact CE2-CD1 4.3Å; F52-I56 HydrophobicContact CE2-CG1 4.23Å; F52-I56 HydrophobicContact CZ-CD1 3.97Å; F52-I56 HydrophobicContact CZ-CG1 3.76Å; F52-I56 WeakPolarHBondContact O-CG1 3.35Å; F52-I56 PolarHBondContact O-N 3.43Å; F52-I56 VanDerWaalsContact O-N 3.09Å; F52-I159 HydrophobicContact CE1-CD1 4.47Å; F52-I159 HydrophobicContact CE1-CG2 4.45Å; F52-I159 HydrophobicContact CZ-CD1 4.08Å; F52-M160 HydrophobicContact CB-CB 4.4Å; F52-M160 HydrophobicContact CB-CE 3.81Å; F52-M160 HydrophobicContact CB-SD 3.9Å; F52-M160 HydrophobicContact CD1-CB 3.66Å; F52-M160 HydrophobicContact CD2-CB 4.15Å; F52-M160 HydrophobicContact CD2-CE 4.33Å; F52-M160 HydrophobicContact CE1-CB 3.9Å; F52-M160 HydrophobicContact CE2-CB 4.37Å; F52-M160 HydrophobicContact CG-CB 3.78Å; F52-M160 HydrophobicContact CG-CE 4.18Å; F52-M160 HydrophobicContact CG-SD 4.31Å; F52-M160 HydrophobicContact CZ-CB 4.25Å; F52-F190 HydrophobicContact CD2-CE1 4.02Å; F52-F190 AromaticContact CD2-CZ 3.77Å; F52-F190 HydrophobicContact CD2-CZ 3.77Å; F52-F190 AromaticContact CE2-CE1 3.62Å; F52-F190 HydrophobicContact CE2-CE1 3.62Å; F52-F190 AromaticContact CE2-CZ 3.84Å; F52-F190 HydrophobicContact CE2-CZ 3.84Å; F52-F190 HydrophobicContact CZ-CE1 4.2Å; F52-L405 HydrophobicContact CD2-CD1 3.76Å; F52-L405 HydrophobicContact CE2-CD1 3.86Å
53	D	95	Very high	92.4	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.053	13%	0.127	C	C	.	.	H	α-helix	trans	-65	-46.1	178.4	-71	-34.1	0	0	0	111	L49 D50 F55 I56 Q57 S163 T164	L49-D53 WeakPolarHBondContact O-CB 3.25Å; L49-D53 VanDerWaalsContact O-CG 3.3Å; L49-D53 PolarHBondContact O-N 3.14Å; D50-D53 PolarHBondContact O-N 3.03Å; D53-F55 VanDerWaalsContact C-N 3.26Å; D53-F55 PolarHBondContact O-N 3.4Å; D53-I56 PolarHBondContact O-N 3.29Å; D53-Q57 VanDerWaalsContact O-CB 3.32Å; D53-Q57 WeakPolarHBondContact O-CB 3.46Å; D53-Q57 VanDerWaalsContact O-CG 3.27Å; D53-Q57 WeakPolarHBondContact O-CG 3.46Å; D53-Q57 PolarHBondContact O-N 2.78Å; D53-S163 WeakPolarHBondContact OD1-CB 3.25Å; D53-T164 HydrophobicContact CB-CG2 4.42Å; D53-T164 VanDerWaalsContact CG-OG1 3.28Å; D53-T164 WeakPolarHBondContact OD1-CB 3.43Å; D53-T164 PolarHBondContact OD1-N 3.35Å; D53-T164 PolarHBondContact OD1-OG1 2.76Å; D53-T164 WeakPolarHBondContact OD2-CG2 3.41Å
54	E	92.6	Very high	92.4	Very high	22 Å²	22	23.7 Å²	23.7	10%	0.103	11%	0.112	C	C	.	.	H	α-helix	trans	-57.1	-42.5	171.9	-175.9	-75.7	146.3	0	0	110.9	D50 I56 Q57 M58 S59 V539	D50-E54 WeakPolarHBondContact O-CB 3.46Å; D50-E54 PolarHBondContact O-N 2.92Å; E54-I56 PolarHBondContact O-N 3.17Å; E54-Q57 PolarHBondContact O-N 2.86Å; E54-M58 PolarHBondContact O-N 3.33Å; E54-S59 PolarHBondContact O-N 3.45Å; E54-S59 PolarHBondContact OE1-OG 3.44Å; E54-S59 PolarHBondContact OE2-OG 3.25Å; E54-V539 HydrophobicContact CB-CB 4.47Å
55	F	93.4	Very high	92.2	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.013	13%	0.133	C	C	.	.	I	π-helix	trans	-59.1	-48.8	-178.9	160.8	-108.2	0	0	0	111.5	S51 F52 D53 S59 V60 L405 F409	S51-F55 WeakPolarHBondContact O-CB 3.37Å; S51-F55 PolarHBondContact O-N 3.35Å; F52-F55 HydrophobicContact CD2-CD1 4.25Å; F52-F55 HydrophobicContact CE2-CD1 4.23Å; F52-F55 WeakPolarHBondContact O-CB 3.38Å; F52-F55 PolarHBondContact O-N 3.03Å; D53-F55 VanDerWaalsContact C-N 3.26Å; D53-F55 PolarHBondContact O-N 3.4Å; F55-S59 WeakPolarHBondContact O-CB 3.25Å; F55-S59 PolarHBondContact O-N 2.84Å; F55-V60 HydrophobicContact CD1-CG2 4.25Å; F55-V60 HydrophobicContact CD2-CG2 3.85Å; F55-V60 HydrophobicContact CE1-CG2 3.8Å; F55-V60 HydrophobicContact CE2-CG2 3.32Å; F55-V60 HydrophobicContact CG-CG2 4.28Å; F55-V60 HydrophobicContact CZ-CG2 3.3Å; F55-V60 VanDerWaalsContact O-CG2 3.32Å; F55-V60 WeakPolarHBondContact O-CG2 3.37Å; F55-V60 PolarHBondContact O-N 2.95Å; F55-L405 HydrophobicContact CD1-CB 4.12Å; F55-L405 HydrophobicContact CD1-CD1 4.11Å; F55-L405 HydrophobicContact CD2-CB 4.23Å; F55-L405 HydrophobicContact CE1-CB 3.82Å; F55-L405 HydrophobicContact CE1-CD1 4.03Å; F55-L405 HydrophobicContact CE2-CB 3.95Å; F55-L405 HydrophobicContact CG-CB 4.32Å; F55-L405 HydrophobicContact CZ-CB 3.73Å; F55-F409 HydrophobicContact CE2-CB 4.38Å; F55-F409 HydrophobicContact CZ-CB 4.27Å
56	I	94	Very high	91.8	Very high	18 Å²	18	31.4 Å²	31.4	9%	0.092	15%	0.149	C	C	.	.	I	π-helix	trans	-70.4	-42	-179.6	-62.4	-62.1	0	0	0	111.7	F52 D53 E54 V60 L98 I157 Y165	F52-I56 HydrophobicContact CD1-CG1 4.34Å; F52-I56 HydrophobicContact CE1-CG1 3.83Å; F52-I56 HydrophobicContact CE2-CD1 4.3Å; F52-I56 HydrophobicContact CE2-CG1 4.23Å; F52-I56 HydrophobicContact CZ-CD1 3.97Å; F52-I56 HydrophobicContact CZ-CG1 3.76Å; F52-I56 WeakPolarHBondContact O-CG1 3.35Å; F52-I56 PolarHBondContact O-N 3.43Å; F52-I56 VanDerWaalsContact O-N 3.09Å; D53-I56 PolarHBondContact O-N 3.29Å; E54-I56 PolarHBondContact O-N 3.17Å; I56-V60 HydrophobicContact CD1-CG2 4.45Å; I56-L98 HydrophobicContact CD1-CD2 4.32Å; I56-L98 HydrophobicContact CG2-CD2 3.43Å; I56-L98 VanDerWaalsContact CG2-CD2 3.43Å; I56-I157 HydrophobicContact CD1-CD1 4.32Å; I56-I157 HydrophobicContact CD1-CG2 4.13Å; I56-Y165 HydrophobicContact CB-CD2 4Å; I56-Y165 HydrophobicContact CB-CE2 3.62Å; I56-Y165 HydrophobicContact CG1-CD2 4.38Å; I56-Y165 HydrophobicContact CG1-CE2 4.48Å; I56-Y165 HydrophobicContact CG2-CD1 4.43Å; I56-Y165 HydrophobicContact CG2-CD2 3.64Å; I56-Y165 HydrophobicContact CG2-CE1 4.07Å; I56-Y165 HydrophobicContact CG2-CE2 3.21Å; I56-Y165 HydrophobicContact CG2-CG 4.22Å; I56-Y165 VanDerWaalsContact CG2-CZ 3.45Å
57	Q	91.2	Very high	91.5	Very high	107 Å²	107	28.3 Å²	28.3	50%	0.5	14%	0.14	S	C	.	.	I	π-helix	trans	-71.1	-42.6	-175.6	-73.1	175.9	4.4	0	0	112.9	D53 E54 Y165	D53-Q57 VanDerWaalsContact O-CB 3.32Å; D53-Q57 WeakPolarHBondContact O-CB 3.46Å; D53-Q57 VanDerWaalsContact O-CG 3.27Å; D53-Q57 WeakPolarHBondContact O-CG 3.46Å; D53-Q57 PolarHBondContact O-N 2.78Å; E54-Q57 PolarHBondContact O-N 2.86Å; Q57-Y165 HydrophobicContact CG-CE2 4.07Å; Q57-Y165 VanDerWaalsContact CG-OH 3.25Å; Q57-Y165 WeakPolarHBondContact CG-OH 3.48Å
58	M	89.5	Confident	91.2	Very high	81 Å²	81	32.2 Å²	32.2	40%	0.399	17%	0.166	S	C	.	.	I	π-helix	trans	-118.3	-55.6	-171.5	-54.3	-166.8	95.3	0	0	112.5	E54 V60 Q61 R62	E54-M58 PolarHBondContact O-N 3.33Å; M58-V60 PolarHBondContact O-N 2.83Å; M58-Q61 PolarHBondContact O-N 3.16Å; M58-R62 WeakPolarHBondContact O-CG 3.21Å; M58-R62 PolarHBondContact O-N 2.91Å
59	S	89.1	Confident	91	Very high	10 Å²	10	35.2 Å²	35.2	7%	0.07	19%	0.186	C	C	.	.	I	π-helix	trans	-63.1	-41.4	-168.6	-74.9	0	0	0	0	113.6	E54 F55 R62 I63	E54-S59 PolarHBondContact O-N 3.45Å; E54-S59 PolarHBondContact OE1-OG 3.44Å; E54-S59 PolarHBondContact OE2-OG 3.25Å; F55-S59 WeakPolarHBondContact O-CB 3.25Å; F55-S59 PolarHBondContact O-N 2.84Å; S59-R62 PolarHBondContact O-N 3.39Å; S59-I63 WeakPolarHBondContact O-CD1 3.37Å; S59-I63 WeakPolarHBondContact O-CG1 3.36Å; S59-I63 PolarHBondContact O-N 3.04Å
60	V	91.8	Very high	90.7	Very high	4 Å²	4	35 Å²	35	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-44	178.6	179.4	0	0	0	0	110.8	F55 I56 M58 I63 V64 I96 F409	F55-V60 HydrophobicContact CD1-CG2 4.25Å; F55-V60 HydrophobicContact CD2-CG2 3.85Å; F55-V60 HydrophobicContact CE1-CG2 3.8Å; F55-V60 HydrophobicContact CE2-CG2 3.32Å; F55-V60 HydrophobicContact CG-CG2 4.28Å; F55-V60 HydrophobicContact CZ-CG2 3.3Å; F55-V60 VanDerWaalsContact O-CG2 3.32Å; F55-V60 WeakPolarHBondContact O-CG2 3.37Å; F55-V60 PolarHBondContact O-N 2.95Å; I56-V60 HydrophobicContact CD1-CG2 4.45Å; M58-V60 PolarHBondContact O-N 2.83Å; V60-I63 PolarHBondContact O-N 3.28Å; V60-V64 PolarHBondContact O-N 3.34Å; V60-I96 HydrophobicContact CB-CD1 4.48Å; V60-I96 HydrophobicContact CG1-CD1 3.59Å; V60-I96 WeakPolarHBondContact O-CD1 3.5Å; V60-F409 HydrophobicContact CG1-CD1 4.33Å; V60-F409 HydrophobicContact CG1-CE1 3.73Å; V60-F409 HydrophobicContact CG1-CZ 3.86Å
61	Q	92.2	Very high	90.5	Very high	25 Å²	25	40.6 Å²	40.6	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-50.4	177.1	-175.7	59.2	37.3	0	0	110.9	M58 I63 V64 E65 E94	M58-Q61 PolarHBondContact O-N 3.16Å; Q61-I63 VanDerWaalsContact C-N 3.32Å; Q61-I63 PolarHBondContact O-N 3.33Å; Q61-V64 PolarHBondContact O-N 2.97Å; Q61-V64 VanDerWaalsContact O-N 3.11Å; Q61-E65 PolarHBondContact NE2-OE1 3.5Å; Q61-E65 PolarHBondContact O-N 2.96Å; Q61-E94 PolarHBondContact NE2-O 2.87Å
62	R	88.3	Confident	90.2	Very high	38 Å²	38	40.7 Å²	40.7	14%	0.143	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-37.7	178.9	-71.4	-179.7	-178.1	158.7	7.3	113.2	M58 S59 V64 E65 D66 H232	M58-R62 WeakPolarHBondContact O-CG 3.21Å; M58-R62 PolarHBondContact O-N 2.91Å; S59-R62 PolarHBondContact O-N 3.39Å; R62-V64 VanDerWaalsContact C-N 3.3Å; R62-V64 PolarHBondContact O-N 3.42Å; R62-E65 PolarHBondContact O-N 3.39Å; R62-D66 VanDerWaalsContact O-CB 3.29Å; R62-D66 WeakPolarHBondContact O-CB 3.47Å; R62-D66 PolarHBondContact O-N 3.42Å; R62-H232 PolarHBondContact NH1-CD2 2.75Å; R62-H232 PolarHBondContact NH1-CE1 3.49Å; R62-H232 PolarHBondContact NH1-ND1 2.85Å; R62-H232 PolarHBondContact NH1-NE2 3.12Å
63	I	89.9	Confident	89.6	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.062	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-38.2	177.6	-72.6	163.4	0	0	0	111.5	S59 V60 Q61 S67 S406 F409 R410	S59-I63 WeakPolarHBondContact O-CD1 3.37Å; S59-I63 WeakPolarHBondContact O-CG1 3.36Å; S59-I63 PolarHBondContact O-N 3.04Å; V60-I63 PolarHBondContact O-N 3.28Å; Q61-I63 VanDerWaalsContact C-N 3.32Å; Q61-I63 PolarHBondContact O-N 3.33Å; I63-S67 PolarHBondContact O-N 3.24Å; I63-S67 PolarHBondContact O-OG 3.06Å; I63-S406 WeakPolarHBondContact CD1-OG 3.42Å; I63-F409 HydrophobicContact CB-CD1 4.49Å; I63-F409 HydrophobicContact CD1-CD1 4.1Å; I63-F409 HydrophobicContact CG2-CD1 4.05Å; I63-F409 HydrophobicContact CG2-CE1 4.21Å; I63-R410 HydrophobicContact CD1-CB 4.24Å; I63-R410 HydrophobicContact CG2-CB 4.12Å; I63-R410 HydrophobicContact CG2-CG 4.37Å
64	V	91.2	Very high	88.8	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-71.7	-40.5	179.2	172.9	0	0	0	0	110.6	V60 Q61 R62 S67 F93 I96 V131 F409 F413	V60-V64 PolarHBondContact O-N 3.34Å; Q61-V64 PolarHBondContact O-N 2.97Å; Q61-V64 VanDerWaalsContact O-N 3.11Å; R62-V64 VanDerWaalsContact C-N 3.3Å; R62-V64 PolarHBondContact O-N 3.42Å; V64-S67 WeakPolarHBondContact O-CB 2.98Å; V64-S67 PolarHBondContact O-N 3.26Å; V64-F93 HydrophobicContact CG1-CB 3.5Å; V64-F93 VanDerWaalsContact CG1-CB 3.5Å; V64-I96 HydrophobicContact CB-CD1 3.77Å; V64-I96 HydrophobicContact CB-CG1 4.32Å; V64-I96 HydrophobicContact CG1-CD1 4.37Å; V64-I96 HydrophobicContact CG1-CG1 4.41Å; V64-I96 HydrophobicContact CG2-CD1 3.32Å; V64-I96 HydrophobicContact CG2-CG1 4.12Å; V64-V131 HydrophobicContact CG1-CG2 4.14Å; V64-F409 HydrophobicContact CG2-CE1 4.32Å; V64-F413 HydrophobicContact CB-CE1 4.38Å; V64-F413 HydrophobicContact CB-CZ 4.3Å; V64-F413 HydrophobicContact CG1-CE1 4.43Å; V64-F413 HydrophobicContact CG1-CZ 4.02Å; V64-F413 HydrophobicContact CG2-CD1 4.47Å; V64-F413 HydrophobicContact CG2-CD2 4.48Å; V64-F413 HydrophobicContact CG2-CE1 3.99Å; V64-F413 HydrophobicContact CG2-CE2 4.02Å; V64-F413 HydrophobicContact CG2-CZ 3.77Å
65	E	89	Confident	87.9	Confident	117 Å²	117	52.5 Å²	52.5	55%	0.547	27%	0.269	S	S	.	.	H	α-helix	trans	-69.1	-39	176.5	-69.1	173.4	176.8	0	0	113.8	Q61 R62 S67	Q61-E65 PolarHBondContact NE2-OE1 3.5Å; Q61-E65 PolarHBondContact O-N 2.96Å; R62-E65 PolarHBondContact O-N 3.39Å; E65-S67 PolarHBondContact O-N 2.94Å
66	D	84.8	Confident	86.5	Confident	70 Å²	70	55.5 Å²	55.5	37%	0.374	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.8	176.5	-175.8	61.5	0	0	0	112.4	R62 S234	R62-D66 VanDerWaalsContact O-CB 3.29Å; R62-D66 WeakPolarHBondContact O-CB 3.47Å; R62-D66 PolarHBondContact O-N 3.42Å; D66-S234 WeakPolarHBondContact OD2-CB 3.38Å; D66-S234 PolarHBondContact OD2-N 2.92Å; D66-S234 PolarHBondContact OD2-OG 2.75Å
67	S	84.7	Confident	84.9	Confident	17 Å²	17	61.6 Å²	61.6	12%	0.119	32%	0.319	C	S	.	.	S	Bend	trans	-73.8	129.6	-179.4	-67.3	0	0	0	0	110.8	I63 V64 E65 F413	I63-S67 PolarHBondContact O-N 3.24Å; I63-S67 PolarHBondContact O-OG 3.06Å; V64-S67 WeakPolarHBondContact O-CB 2.98Å; V64-S67 PolarHBondContact O-N 3.26Å; E65-S67 PolarHBondContact O-N 2.94Å; S67-F413 WeakPolarHBondContact OG-CE1 3.04Å
68	P	85.4	Confident	83.5	Confident	90 Å²	90	64.2 Å²	64.2	58%	0.584	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-64.9	147.3	-177.8	26.9	-34.6	0	0	0	111.1	V70	P68-V70 PolarHBondContact O-N 2.87Å
69	P	88.9	Confident	82.1	Confident	66 Å²	66	70.8 Å²	70.8	43%	0.429	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-54	139.8	172.3	-24.4	33.1	0	0	0	111.6	E71 L91	P69-E71 PolarHBondContact O-N 3.44Å; P69-L91 WeakPolarHBondContact CA-O 3.43Å
70	V	89.4	Confident	80.6	Confident	12 Å²	12	74.9 Å²	74.9	7%	0.073	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	103.2	177.2	-178.8	0	0	0	0	108.7	P68 L72 L91 F93 L417 R421	P68-V70 PolarHBondContact O-N 2.87Å; V70-L72 HydrophobicContact CG1-CG 4.33Å; V70-L91 HydrophobicContact CB-CB 4.24Å; V70-L91 PolarHBondContact N-O 2.93Å; V70-L91 PolarHBondContact O-N 3.35Å; V70-F93 HydrophobicContact CG2-CE2 4.46Å; V70-L417 HydrophobicContact CG2-CB 4.3Å; V70-L417 HydrophobicContact CG2-CD2 3.94Å; V70-R421 HydrophobicContact CG1-CB 3.78Å; V70-R421 HydrophobicContact CG1-CG 4.27Å
71	E	89.8	Confident	79.1	Confident	143 Å²	143	79 Å²	79	67%	0.668	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	134.2	175.9	-63	-179.4	176.5	0	0	111.8	P69 Y89	P69-E71 PolarHBondContact O-N 3.44Å; E71-Y89 WeakPolarHBondContact CA-O 3.36Å
72	L	87.9	Confident	77.4	Confident	7 Å²	7	85.2 Å²	85.2	4%	0.037	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.3	-178.8	-60.9	162.8	0	0	0	109.9	V70 K88 Y89 R421 A424 Q425 I428 F434	V70-L72 HydrophobicContact CG1-CG 4.33Å; L72-K88 WeakPolarHBondContact O-CA 3.41Å; L72-Y89 PolarHBondContact N-O 3.16Å; L72-Y89 PolarHBondContact O-N 3.42Å; L72-R421 HydrophobicContact CD2-CB 4.36Å; L72-R421 HydrophobicContact CD2-CG 3.69Å; L72-R421 WeakPolarHBondContact CD2-O 3.38Å; L72-A424 HydrophobicContact CD1-CB 3.43Å; L72-A424 VanDerWaalsContact CD1-CB 3.43Å; L72-Q425 HydrophobicContact CD2-CB 4.31Å; L72-I428 HydrophobicContact CB-CD1 3.82Å; L72-I428 HydrophobicContact CD1-CD1 3.91Å; L72-I428 HydrophobicContact CG-CD1 4.42Å; L72-F434 HydrophobicContact CD1-CE1 4.37Å; L72-F434 HydrophobicContact CD1-CZ 4.32Å
73	Q	84.4	Confident	76	Confident	110 Å²	110	91.1 Å²	91.1	51%	0.514	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149	172.6	65.1	-176.3	8.7	0	0	108.8	P86 K88 Q425	Q73-P86 HydrophobicContact CB-CB 4.33Å; Q73-K88 HydrophobicContact CB-CG 4.5Å; Q73-Q425 PolarHBondContact O-NE2 3.04Å; Q73-Q425 PolarHBondContact O-OE1 3.11Å
74	S	76.8	Confident	74.6	Confident	35 Å²	35	98.3 Å²	98.3	25%	0.245	52%	0.516	C	S	.	.			trans	-62.1	143.5	173.2	48.3	0	0	0	0	110.9	S76 P86	S74-S76 PolarHBondContact O-N 3.19Å; S74-P86 WeakPolarHBondContact O-CB 3.26Å; S74-P86 WeakPolarHBondContact OG-CA 3.49Å; S74-P86 WeakPolarHBondContact OG-CB 3.34Å
75	E	73.7	Confident	73.3	Confident	135 Å²	135	103.2 Å²	103.2	63%	0.631	54%	0.541	S	S	*	.			trans	-68.6	126.6	169.4	-71.6	-179.7	174.3	0	0	108.7	Q77 N429	E75-Q77 PolarHBondContact O-N 3.36Å; E75-Q77 VanDerWaalsContact O-N 3.11Å; E75-N429 PolarHBondContact N-OD1 2.92Å; E75-N429 PolarHBondContact OE2-ND2 2.88Å
76	S	65	Low	72.6	Confident	67 Å²	67	99.3 Å²	99.3	47%	0.469	53%	0.526	S	S	.	.			trans	-64.8	111.8	178.5	47.3	0	0	0	0	110	S74 H78	S74-S76 PolarHBondContact O-N 3.19Å; S76-H78 PolarHBondContact O-CD2 2.97Å; S76-H78 PolarHBondContact O-N 2.96Å; S76-H78 PolarHBondContact OG-CE1 2.94Å; S76-H78 PolarHBondContact OG-NE2 2.71Å; S76-H78 VanDerWaalsContact OG-NE2 3.1Å
77	Q	59.5	Low	72.4	Confident	145 Å²	145	97.4 Å²	97.4	68%	0.678	52%	0.516	S	S	*	.			trans	-76.7	101.1	170.3	-66.1	-171.6	15.6	0	0	108.4	E75 Y79	E75-Q77 PolarHBondContact O-N 3.36Å; E75-Q77 VanDerWaalsContact O-N 3.11Å; Q77-Y79 PolarHBondContact O-N 3.22Å
78	H	62.2	Low	72.5	Confident	162 Å²	162	102.3 Å²	102.3	75%	0.75	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	17.7	179	-63	-65.6	0	0	0	114.2	S76	S76-H78 PolarHBondContact O-CD2 2.97Å; S76-H78 PolarHBondContact O-N 2.96Å; S76-H78 PolarHBondContact OG-CE1 2.94Å; S76-H78 PolarHBondContact OG-NE2 2.71Å; S76-H78 VanDerWaalsContact OG-NE2 3.1Å
79	Y	59.6	Low	72.7	Confident	219 Å²	219	98.4 Å²	98.4	86%	0.859	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-24.1	-173.3	-80.7	-77	0	0	0	113.9	Q77	Q77-Y79 PolarHBondContact O-N 3.22Å
80	T	58.5	Low	72.9	Confident	97 Å²	97	96.9 Å²	96.9	60%	0.595	50%	0.5	S	S	*	.	S	Bend	trans	-115.9	129.6	174.6	45.2	0	0	0	0	107.2	E82	T80-E82 PolarHBondContact O-N 3.46Å
81	G	59	Low	73	Confident	90 Å²	90	96.3 Å²	96.3	93%	0.928	50%	0.496	S	S	*	.	S	Bend	trans	-61.8	10.2	-175.7	0	0	0	0	0	116.1
82	E	58	Low	73.1	Confident	155 Å²	155	95 Å²	95	72%	0.724	49%	0.489	S	S	*	.	S	Bend	trans	-90.3	120.9	171.3	-68.5	-174.9	165.6	0	0	109.6	T80 E84	T80-E82 PolarHBondContact O-N 3.46Å; E82-E84 VanDerWaalsContact C-N 3.3Å; E82-E84 PolarHBondContact O-N 2.87Å
83	I	58.4	Low	73.3	Confident	163 Å²	163	95.4 Å²	95.4	84%	0.836	49%	0.49	S	S	*	.			trans	-75.3	86.9	173.9	-56.6	170.6	0	0	0	107	I85	I83-I85 PolarHBondContact O-N 2.85Å
84	E	59.5	Low	73.7	Confident	163 Å²	163	92.7 Å²	92.7	76%	0.762	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-67.3	116.4	164.2	-80.9	-168.8	156.1	0	0	108.8	E82 P86	E82-E84 VanDerWaalsContact C-N 3.3Å; E82-E84 PolarHBondContact O-N 2.87Å; E84-P86 WeakPolarHBondContact O-CD 3.28Å
85	I	65.7	Low	74.5	Confident	105 Å²	105	95.4 Å²	95.4	54%	0.538	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-69.4	119.7	174.6	-60.6	168.4	0	0	0	107.2	I83 T87 D140	I83-I85 PolarHBondContact O-N 2.85Å; I85-T87 PolarHBondContact O-N 3.17Å; I85-D140 HydrophobicContact CD1-CB 4.27Å; I85-D140 WeakPolarHBondContact CD1-OD2 3.08Å; I85-D140 HydrophobicContact CG2-CB 4.12Å
86	P	72.5	Confident	75.5	Confident	35 Å²	35	89.8 Å²	89.8	23%	0.227	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-66.6	135	-171.9	26.8	-34.6	0	0	0	110.8	Q73 S74 E84 K88	Q73-P86 HydrophobicContact CB-CB 4.33Å; S74-P86 WeakPolarHBondContact O-CB 3.26Å; S74-P86 WeakPolarHBondContact OG-CA 3.49Å; S74-P86 WeakPolarHBondContact OG-CB 3.34Å; E84-P86 WeakPolarHBondContact O-CD 3.28Å; P86-K88 PolarHBondContact O-N 2.9Å
87	T	81.9	Confident	76.9	Confident	29 Å²	29	90.8 Å²	90.8	18%	0.178	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-62.4	128	171.5	-60	0	0	0	0	109	I85 Y89 V137 R139	I85-T87 PolarHBondContact O-N 3.17Å; T87-Y89 HydrophobicContact CG2-CD2 4.24Å; T87-Y89 HydrophobicContact CG2-CE1 4.26Å; T87-Y89 HydrophobicContact CG2-CE2 3.62Å; T87-V137 HydrophobicContact CG2-CG1 3.53Å; T87-R139 HydrophobicContact CG2-CG 3.65Å
88	K	86.9	Confident	78.5	Confident	121 Å²	121	85.6 Å²	85.6	53%	0.526	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.6	178.3	-71.3	178.8	-174.8	175.2	0	110.2	L72 Q73 P86 S138	L72-K88 WeakPolarHBondContact O-CA 3.41Å; Q73-K88 HydrophobicContact CB-CG 4.5Å; P86-K88 PolarHBondContact O-N 2.9Å; K88-S138 VanDerWaalsContact CB-OG 3.31Å; K88-S138 WeakPolarHBondContact CB-OG 3.21Å; K88-S138 PolarHBondContact N-O 3Å; K88-S138 PolarHBondContact O-N 2.82Å; K88-S138 PolarHBondContact O-OG 2.8Å
89	Y	89.7	Confident	80	Confident	8 Å²	8	80.2 Å²	80.2	3%	0.031	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133	176.9	-61.5	-92.5	0	0	0	109.5	E71 L72 T87 T136 V137 I428 G432 F434	E71-Y89 WeakPolarHBondContact CA-O 3.36Å; L72-Y89 PolarHBondContact N-O 3.16Å; L72-Y89 PolarHBondContact O-N 3.42Å; T87-Y89 HydrophobicContact CG2-CD2 4.24Å; T87-Y89 HydrophobicContact CG2-CE1 4.26Å; T87-Y89 HydrophobicContact CG2-CE2 3.62Å; Y89-T136 WeakPolarHBondContact CA-O 3.41Å; Y89-V137 HydrophobicContact CD1-CB 4.34Å; Y89-V137 HydrophobicContact CD1-CG1 4.05Å; Y89-V137 HydrophobicContact CD1-CG2 3.71Å; Y89-V137 HydrophobicContact CE1-CB 4.3Å; Y89-V137 HydrophobicContact CE1-CG1 3.65Å; Y89-V137 HydrophobicContact CE1-CG2 3.73Å; Y89-I428 HydrophobicContact CD2-CD1 3.64Å; Y89-I428 HydrophobicContact CD2-CG1 4.15Å; Y89-I428 HydrophobicContact CE2-CD1 4.03Å; Y89-I428 HydrophobicContact CE2-CG1 4.01Å; Y89-I428 HydrophobicContact CE2-CG2 4.14Å; Y89-I428 HydrophobicContact CG-CD1 4.21Å; Y89-G432 PolarHBondContact OH-O 3.4Å; Y89-F434 AromaticContact CD1-CE1 3.8Å; Y89-F434 HydrophobicContact CD1-CE1 3.8Å; Y89-F434 HydrophobicContact CE1-CE1 4.34Å; Y89-F434 AromaticContact CG-CE1 3.96Å; Y89-F434 HydrophobicContact CG-CE1 3.96Å
90	S	91.5	Very high	81.6	Confident	33 Å²	33	76.3 Å²	76.3	23%	0.231	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.8	172.8	-175	0	0	0	0	110	K135 T136	S90-K135 WeakPolarHBondContact O-CA 3.38Å; S90-T136 PolarHBondContact N-O 3.17Å; S90-T136 PolarHBondContact O-N 2.94Å
91	L	92	Very high	83.3	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.3	175.6	-58.4	173.6	0	0	0	109.6	P69 V70 K135 V420 F434 L436	P69-L91 WeakPolarHBondContact CA-O 3.43Å; V70-L91 HydrophobicContact CB-CB 4.24Å; V70-L91 PolarHBondContact N-O 2.93Å; V70-L91 PolarHBondContact O-N 3.35Å; L91-K135 HydrophobicContact CD2-CB 3.69Å; L91-K135 HydrophobicContact CD2-CD 4.43Å; L91-K135 HydrophobicContact CD2-CG 3.8Å; L91-V420 HydrophobicContact CD1-CG1 3.83Å; L91-F434 HydrophobicContact CD1-CE2 4.06Å; L91-F434 HydrophobicContact CD1-CZ 4.09Å; L91-F434 HydrophobicContact CD2-CE2 4.25Å; L91-F434 HydrophobicContact CD2-CZ 4.05Å; L91-F434 HydrophobicContact CG-CZ 4.34Å; L91-L436 HydrophobicContact CD1-CD1 4.04Å; L91-L436 HydrophobicContact CD2-CD1 4.08Å
92	K	92.9	Very high	85	Confident	117 Å²	117	68.4 Å²	68.4	51%	0.509	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.6	175.1	-171.5	-177.6	179.2	-170.4	0	109.8	E94 I133 T134	K92-E94 HydrophobicContact CD-CG 4.47Å; K92-E94 HydrophobicContact CG-CG 4.4Å; K92-I133 CarbonylContact O-C 3.59Å; K92-I133 WeakPolarHBondContact O-CA 3.5Å; K92-T134 PolarHBondContact N-O 3.36Å; K92-T134 PolarHBondContact O-N 3.42Å
93	F	92.4	Very high	86.5	Confident	14 Å²	14	62 Å²	62	6%	0.061	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.5	174.8	-63.1	-101.2	0	0	0	108.6	V64 V70 V131 I133 F413 L417	V64-F93 HydrophobicContact CG1-CB 3.5Å; V64-F93 VanDerWaalsContact CG1-CB 3.5Å; V70-F93 HydrophobicContact CG2-CE2 4.46Å; F93-V131 HydrophobicContact CB-CG2 4.29Å; F93-V131 HydrophobicContact CD1-CG1 3.93Å; F93-V131 HydrophobicContact CD1-CG2 4.32Å; F93-V131 HydrophobicContact CE1-CG1 4.43Å; F93-I133 HydrophobicContact CD1-CD1 3.88Å; F93-I133 HydrophobicContact CD1-CG1 3.71Å; F93-I133 HydrophobicContact CE1-CD1 3.43Å; F93-I133 VanDerWaalsContact CE1-CD1 3.43Å; F93-I133 HydrophobicContact CE1-CG1 3.81Å; F93-I133 HydrophobicContact CZ-CD1 4.22Å; F93-F413 HydrophobicContact CB-CZ 4.45Å; F93-F413 HydrophobicContact CD1-CZ 4.18Å; F93-F413 HydrophobicContact CG-CZ 4.15Å; F93-L417 HydrophobicContact CD2-CD2 3.77Å; F93-L417 HydrophobicContact CE1-CD2 4.49Å; F93-L417 HydrophobicContact CE2-CD2 3.21Å; F93-L417 HydrophobicContact CZ-CD2 3.64Å
94	E	91.5	Very high	88	Confident	54 Å²	54	58.6 Å²	58.6	25%	0.252	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-118.9	-171.2	-63.2	177.8	-178.7	0	0	111.3	Q61 K92 D132 T134 K148	Q61-E94 PolarHBondContact NE2-O 2.87Å; K92-E94 HydrophobicContact CD-CG 4.47Å; K92-E94 HydrophobicContact CG-CG 4.4Å; E94-D132 HydrophobicContact CB-CB 4.37Å; E94-D132 PolarHBondContact N-O 3.08Å; E94-T134 PolarHBondContact OE1-OG1 2.95Å; E94-K148 IonicContact OE2-NZ 3.78Å
95	Q	93.6	Very high	89.2	Confident	91 Å²	91	53.8 Å²	53.8	43%	0.425	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137	-175.5	-174.6	62.2	34.9	0	0	111.7	Y97 V131 D132	Q95-Y97 HydrophobicContact CB-CE2 4.31Å; Q95-Y97 HydrophobicContact CG-CE1 3.99Å; Q95-Y97 HydrophobicContact CG-CE2 4.13Å; Q95-V131 WeakPolarHBondContact O-CA 3.34Å; Q95-D132 PolarHBondContact O-N 3.49Å
96	I	94.2	Very high	89.9	Confident	18 Å²	18	55.2 Å²	55.2	9%	0.092	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.7	174.5	-58.8	173.3	0	0	0	110.1	V60 V64 L129 Y130 V131	V60-I96 HydrophobicContact CB-CD1 4.48Å; V60-I96 HydrophobicContact CG1-CD1 3.59Å; V60-I96 WeakPolarHBondContact O-CD1 3.5Å; V64-I96 HydrophobicContact CB-CD1 3.77Å; V64-I96 HydrophobicContact CB-CG1 4.32Å; V64-I96 HydrophobicContact CG1-CD1 4.37Å; V64-I96 HydrophobicContact CG1-CG1 4.41Å; V64-I96 HydrophobicContact CG2-CD1 3.32Å; V64-I96 HydrophobicContact CG2-CG1 4.12Å; I96-L129 HydrophobicContact CG2-CD1 3.29Å; I96-L129 HydrophobicContact CG2-CG 3.95Å; I96-Y130 CarbonylContact C-O 3.52Å; I96-Y130 WeakPolarHBondContact CA-O 3.38Å; I96-Y130 WeakPolarHBondContact CG2-O 3.41Å; I96-V131 HydrophobicContact CG1-CG2 4.1Å
97	Y	95.3	Very high	90.4	Very high	87 Å²	87	61 Å²	61	34%	0.341	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.9	171.5	-49.7	-88.8	0	0	0	109.8	Q95 Y130 D132 K151	Q95-Y97 HydrophobicContact CB-CE2 4.31Å; Q95-Y97 HydrophobicContact CG-CE1 3.99Å; Q95-Y97 HydrophobicContact CG-CE2 4.13Å; Y97-Y130 PolarHBondContact N-O 3.1Å; Y97-Y130 PolarHBondContact O-N 2.96Å; Y97-D132 WeakPolarHBondContact CE2-OD1 3.26Å; Y97-D132 WeakPolarHBondContact CE2-OD2 3.34Å; Y97-D132 PolarHBondContact OH-OD2 2.88Å; Y97-K151 HydrophobicContact CD2-CG 4Å; Y97-K151 HydrophobicContact CE2-CG 4.18Å
98	L	93.6	Very high	90.5	Very high	36 Å²	36	61.9 Å²	61.9	19%	0.188	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.4	173.2	-176	70.5	0	0	0	108.9	I56 A127 L129 I159 Y165	I56-L98 HydrophobicContact CD1-CD2 4.32Å; I56-L98 HydrophobicContact CG2-CD2 3.43Å; I56-L98 VanDerWaalsContact CG2-CD2 3.43Å; L98-A127 HydrophobicContact CD1-CB 3.79Å; L98-A127 HydrophobicContact CG-CB 4.25Å; L98-L129 HydrophobicContact CB-CD1 4.32Å; L98-L129 HydrophobicContact CD1-CD1 3.92Å; L98-I159 HydrophobicContact CD2-CD1 3.98Å; L98-Y165 HydrophobicContact CD2-CD1 3.86Å; L98-Y165 HydrophobicContact CD2-CD2 4.49Å; L98-Y165 HydrophobicContact CD2-CE1 4.31Å; L98-Y165 HydrophobicContact CD2-CG 3.95Å
99	S	92.5	Very high	90.7	Very high	50 Å²	50	58.7 Å²	58.7	35%	0.35	30%	0.3	S	S	.	.			trans	-82.6	175.6	172.7	-165.8	0	0	0	0	111.5	A127 P128	S99-A127 WeakPolarHBondContact O-CB 3.24Å; S99-P128 VanDerWaalsContact CB-CG 3.5Å; S99-P128 PolarHBondContact N-O 2.83Å
100	K	93.5	Very high	90.8	Very high	137 Å²	137	62.6 Å²	62.6	60%	0.596	33%	0.326	S	S	*	.			trans	-71.5	156.8	165.7	-73.1	178	168.4	-168.9	0	111.2	T102 L167	K100-T102 PolarHBondContact O-N 3.04Å; K100-T102 VanDerWaalsContact O-N 3.15Å; K100-T102 PolarHBondContact O-OG1 3.28Å; K100-L167 HydrophobicContact CB-CD2 3.96Å; K100-L167 HydrophobicContact CD-CD2 3.71Å; K100-L167 HydrophobicContact CG-CD2 4.14Å
101	P	95.8	Very high	90.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.329	C	S	.	.			trans	-50.8	119	175.8	-31.1	38.7	0	0	0	112.7	M113 Y125 S126 A127 I159	P101-M113 PolarHBondContact O-N 2.92Å; P101-M113 VanDerWaalsContact O-N 3.12Å; P101-Y125 HydrophobicContact CB-CD2 4.18Å; P101-Y125 HydrophobicContact CB-CE1 4.12Å; P101-Y125 HydrophobicContact CB-CE2 3.66Å; P101-Y125 HydrophobicContact CG-CD1 4.4Å; P101-Y125 HydrophobicContact CG-CE1 3.66Å; P101-Y125 HydrophobicContact CG-CE2 4.05Å; P101-Y125 VanDerWaalsContact CG-CZ 3.47Å; P101-S126 WeakPolarHBondContact CA-O 3.39Å; P101-A127 HydrophobicContact CG-CB 4.48Å; P101-I159 HydrophobicContact CG-CB 4.21Å; P101-I159 HydrophobicContact CG-CG1 4.07Å; P101-I159 HydrophobicContact CG-CG2 4.34Å
102	T	93.6	Very high	90.8	Very high	21 Å²	21	66.6 Å²	66.6	13%	0.129	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.1	-172.8	-53.3	0	0	0	0	109.7	K100 W104 P110 A111	K100-T102 PolarHBondContact O-N 3.04Å; K100-T102 VanDerWaalsContact O-N 3.15Å; K100-T102 PolarHBondContact O-OG1 3.28Å; T102-W104 HydrophobicContact CG2-CD2 4.47Å; T102-W104 HydrophobicContact CG2-CE3 4.29Å; T102-W104 HydrophobicContact CG2-CH2 4.08Å; T102-W104 HydrophobicContact CG2-CZ2 4.24Å; T102-W104 HydrophobicContact CG2-CZ3 4.08Å; T102-W104 VanDerWaalsContact O-CZ3 3.26Å; T102-W104 WeakPolarHBondContact O-CZ3 3.32Å; T102-P110 HydrophobicContact CG2-CB 3.79Å; T102-A111 WeakPolarHBondContact CA-O 3.47Å
103	H	90.4	Very high	90.8	Very high	20 Å²	20	61.3 Å²	61.3	9%	0.093	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	146.8	168.5	-165.7	47.3	0	0	0	109.9	E105 P110 A111 M113	H103-E105 IonicContact CD2-OE1 3.78Å; H103-E105 PolarHBondContact CD2-OE1 3.37Å; H103-E105 IonicContact NE2-OE2 3.75Å; H103-P110 CarbonylContact O-C 3.6Å; H103-P110 WeakPolarHBondContact O-CA 3.44Å; H103-A111 PolarHBondContact N-O 3.18Å; H103-A111 PolarHBondContact O-N 2.88Å; H103-M113 HydrophobicContact CB-CB 4.21Å; H103-M113 HydrophobicContact CB-CE 3.5Å; H103-M113 HydrophobicContact CB-CG 4.49Å
104	W	89.3	Confident	90.9	Very high	91 Å²	91	63.5 Å²	63.5	35%	0.345	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.6	170.1	-72.8	-100.7	0	0	0	106.1	T102 P128 K156	T102-W104 HydrophobicContact CG2-CD2 4.47Å; T102-W104 HydrophobicContact CG2-CE3 4.29Å; T102-W104 HydrophobicContact CG2-CH2 4.08Å; T102-W104 HydrophobicContact CG2-CZ2 4.24Å; T102-W104 HydrophobicContact CG2-CZ3 4.08Å; T102-W104 VanDerWaalsContact O-CZ3 3.26Å; T102-W104 WeakPolarHBondContact O-CZ3 3.32Å; W104-P128 HydrophobicContact CH2-CB 3.82Å; W104-P128 HydrophobicContact CH2-CG 3.77Å; W104-K156 HydrophobicContact CZ3-CD 4.39Å
105	E	84.4	Confident	91.1	Very high	62 Å²	62	61 Å²	61	29%	0.29	33%	0.331	S	S	.	.			trans	-70.1	167.4	171.6	-66.3	-63.6	167.4	0	0	110.2	H103 D107 G108 A109 R121	H103-E105 IonicContact CD2-OE1 3.78Å; H103-E105 PolarHBondContact CD2-OE1 3.37Å; H103-E105 IonicContact NE2-OE2 3.75Å; E105-D107 PolarHBondContact O-N 3.16Å; E105-D107 VanDerWaalsContact O-N 3.16Å; E105-G108 WeakPolarHBondContact O-CA 3.41Å; E105-G108 PolarHBondContact O-N 2.87Å; E105-A109 PolarHBondContact N-O 3.07Å; E105-R121 IonicContact OE1-CZ 3.06Å; E105-R121 IonicContact OE1-NH1 3.71Å; E105-R121 PolarHBondContact OE1-NH1 3.4Å; E105-R121 IonicContact OE1-NH2 2.58Å; E105-R121 PolarHBondContact OE1-NH2 3.07Å; E105-R121 IonicContact OE2-CZ 2.88Å; E105-R121 IonicContact OE2-NH1 3.45Å; E105-R121 IonicContact OE2-NH2 2.64Å; E105-R121 PolarHBondContact OE2-NH2 3.14Å
106	K	81.4	Confident	91.2	Very high	136 Å²	136	57.3 Å²	57.3	59%	0.591	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.6	176	-81.7	-172.9	160.7	175.2	0	113.2	G108 D921 G922	K106-G108 PolarHBondContact O-N 3.33Å; K106-D921 VanDerWaalsContact CE-C 3.45Å; K106-D921 WeakPolarHBondContact CE-O 3.37Å; K106-D921 PolarHBondContact NZ-O 2.93Å; K106-G922 PolarHBondContact NZ-O 3.11Å
107	D	83.2	Confident	91.1	Very high	157 Å²	157	59.3 Å²	59.3	84%	0.84	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-3.8	178.1	-53.4	-20.4	0	0	0	112.5	E105 A109	E105-D107 PolarHBondContact O-N 3.16Å; E105-D107 VanDerWaalsContact O-N 3.16Å; D107-A109 VanDerWaalsContact C-N 3.28Å; D107-A109 PolarHBondContact O-N 3.45Å
108	G	84	Confident	91.1	Very high	46 Å²	46	55.2 Å²	55.2	47%	0.474	31%	0.307	S	S	.	.			trans	85.1	-7.6	179.7	0	0	0	0	0	114.4	E105 K106	E105-G108 WeakPolarHBondContact O-CA 3.41Å; E105-G108 PolarHBondContact O-N 2.87Å; K106-G108 PolarHBondContact O-N 3.33Å
109	A	90	Very high	91.1	Very high	55 Å²	55	54.1 Å²	54.1	46%	0.455	30%	0.3	S	S	.	.			trans	-67.5	127.8	179.1	0	0	0	0	0	111.4	E105 D107	E105-A109 PolarHBondContact N-O 3.07Å; D107-A109 VanDerWaalsContact C-N 3.28Å; D107-A109 PolarHBondContact O-N 3.45Å
110	P	90.9	Very high	91.2	Very high	90 Å²	90	53.5 Å²	53.5	58%	0.584	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.8	172.7	31.5	-31.9	0	0	0	110.4	T102 H103	T102-P110 HydrophobicContact CG2-CB 3.79Å; H103-P110 CarbonylContact O-C 3.6Å; H103-P110 WeakPolarHBondContact O-CA 3.44Å
111	A	90.7	Very high	91.2	Very high	36 Å²	36	48 Å²	48	30%	0.298	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.6	173	0	0	0	0	0	110.4	T102 H103 M113	T102-A111 WeakPolarHBondContact CA-O 3.47Å; H103-A111 PolarHBondContact N-O 3.18Å; H103-A111 PolarHBondContact O-N 2.88Å; A111-M113 PolarHBondContact O-N 3.26Å
112	P	93.1	Very high	91	Very high	81 Å²	81	49.4 Å²	49.4	53%	0.526	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	123.8	170.9	27.5	-32.8	0	0	0	108.8	M114 L167	P112-M114 PolarHBondContact O-N 2.79Å; P112-L167 HydrophobicContact CB-CD1 4.12Å
113	M	93.2	Very high	91	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.025	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-81.7	121.1	-178.3	-173.9	-177.3	-66.8	0	0	108.9	P101 H103 A111 A118 L123 Y125 L167	P101-M113 PolarHBondContact O-N 2.92Å; P101-M113 VanDerWaalsContact O-N 3.12Å; H103-M113 HydrophobicContact CB-CB 4.21Å; H103-M113 HydrophobicContact CB-CE 3.5Å; H103-M113 HydrophobicContact CB-CG 4.49Å; A111-M113 PolarHBondContact O-N 3.26Å; M113-A118 HydrophobicContact CG-CB 4.16Å; M113-A118 HydrophobicContact SD-CB 3.78Å; M113-L123 HydrophobicContact CE-CB 4.19Å; M113-L123 HydrophobicContact CE-CD1 4.1Å; M113-L123 HydrophobicContact SD-CB 4.26Å; M113-Y125 HydrophobicContact CG-CD2 4.14Å; M113-Y125 WeakPolarHBondContact O-CE2 3.46Å; M113-Y125 HydrophobicContact SD-CD2 4.04Å; M113-L167 WeakPolarHBondContact O-CD1 3.35Å
114	M	94.7	Very high	91.3	Very high	61 Å²	61	48.6 Å²	48.6	30%	0.3	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-83.7	144.4	172.4	-63.9	-59.6	178.4	0	0	110.9	P112 N116 E117 A118 L167 L179	P112-M114 PolarHBondContact O-N 2.79Å; M114-N116 PolarHBondContact O-N 3.49Å; M114-E117 HydrophobicContact CB-CB 4.21Å; M114-E117 WeakPolarHBondContact O-CB 3.46Å; M114-E117 PolarHBondContact O-N 3.29Å; M114-A118 PolarHBondContact O-N 2.67Å; M114-L167 HydrophobicContact SD-CD1 4.22Å; M114-L179 HydrophobicContact CE-CD2 3.91Å; M114-L179 HydrophobicContact SD-CD1 4.48Å; M114-L179 HydrophobicContact SD-CD2 4.08Å
115	P	95.7	Very high	91.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-46	179.6	-28.3	37.4	0	0	0	113.6	E117 A118 R119 Y125 L161 L168 I191	P115-E117 VanDerWaalsContact C-N 3.32Å; P115-E117 PolarHBondContact O-N 3.29Å; P115-A118 WeakPolarHBondContact O-CB 3.44Å; P115-A118 PolarHBondContact O-N 3.34Å; P115-A118 VanDerWaalsContact O-N 3.12Å; P115-R119 WeakPolarHBondContact O-CG 3.47Å; P115-R119 PolarHBondContact O-N 2.91Å; P115-Y125 HydrophobicContact CB-CE2 4.4Å; P115-Y125 HydrophobicContact CG-CD2 4.3Å; P115-Y125 HydrophobicContact CG-CE2 3.66Å; P115-L161 HydrophobicContact CB-CD1 4.23Å; P115-L161 HydrophobicContact CB-CD2 3.77Å; P115-L161 HydrophobicContact CG-CD2 3.71Å; P115-L168 HydrophobicContact CG-CD1 3.86Å; P115-L168 HydrophobicContact CG-CD2 4.28Å; P115-L168 HydrophobicContact CG-CG 3.96Å; P115-I191 HydrophobicContact CB-CD1 3.83Å; P115-I191 WeakPolarHBondContact O-CD1 3.42Å
116	N	95	Very high	92.2	Very high	14 Å²	14	41.8 Å²	41.8	8%	0.075	25%	0.245	C	C	.	.	H	α-helix	trans	-58.5	-43.5	177	-166.4	36.7	0	0	0	112.4	M114 A118 R119 L120 E181	M114-N116 PolarHBondContact O-N 3.49Å; N116-A118 VanDerWaalsContact C-N 3.31Å; N116-A118 PolarHBondContact O-N 3.49Å; N116-R119 WeakPolarHBondContact O-CB 3.42Å; N116-R119 PolarHBondContact O-N 3.27Å; N116-L120 WeakPolarHBondContact O-CG 3.49Å; N116-L120 PolarHBondContact O-N 3.13Å; N116-E181 WeakPolarHBondContact CA-OE1 3.28Å; N116-E181 WeakPolarHBondContact CB-OE1 3.47Å; N116-E181 PolarHBondContact N-OE1 3.05Å
117	E	93.1	Very high	92.9	Very high	60 Å²	60	35.3 Å²	35.3	28%	0.28	22%	0.217	S	C	.	.	H	α-helix	trans	-59.8	-43.2	175.3	-170	-168.7	167.1	0	0	111.3	M114 P115 R119 L120 R121	M114-E117 HydrophobicContact CB-CB 4.21Å; M114-E117 WeakPolarHBondContact O-CB 3.46Å; M114-E117 PolarHBondContact O-N 3.29Å; P115-E117 VanDerWaalsContact C-N 3.32Å; P115-E117 PolarHBondContact O-N 3.29Å; E117-R119 VanDerWaalsContact C-N 3.29Å; E117-R119 PolarHBondContact O-N 2.88Å; E117-L120 PolarHBondContact O-N 2.91Å; E117-L120 VanDerWaalsContact O-N 3.17Å; E117-R121 HydrophobicContact CG-CG 4.35Å; E117-R121 WeakPolarHBondContact O-CB 3.47Å; E117-R121 PolarHBondContact O-N 3.41Å; E117-R121 WeakPolarHBondContact OE1-CD 3.25Å; E117-R121 IonicContact OE1-CZ 3.76Å; E117-R121 IonicContact OE1-NH1 2.96Å; E117-R121 PolarHBondContact OE1-NH1 3.47Å
118	A	94.9	Very high	93.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-38	177.5	0	0	0	0	0	112.3	M113 M114 P115 N116 N122 L123 Y125 I191	M113-A118 HydrophobicContact CG-CB 4.16Å; M113-A118 HydrophobicContact SD-CB 3.78Å; M114-A118 PolarHBondContact O-N 2.67Å; P115-A118 WeakPolarHBondContact O-CB 3.44Å; P115-A118 PolarHBondContact O-N 3.34Å; P115-A118 VanDerWaalsContact O-N 3.12Å; N116-A118 VanDerWaalsContact C-N 3.31Å; N116-A118 PolarHBondContact O-N 3.49Å; A118-N122 PolarHBondContact O-N 3.31Å; A118-L123 HydrophobicContact CB-CB 4.27Å; A118-L123 PolarHBondContact O-N 3.41Å; A118-Y125 HydrophobicContact CB-CD2 4.37Å; A118-I191 HydrophobicContact CB-CG2 4.1Å
119	R	94.7	Very high	94.1	Very high	14 Å²	14	25.9 Å²	25.9	5%	0.053	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-45.8	173.6	-60.3	-177	-158.3	111.3	-1.6	111.5	P115 N116 E117 E181 Y189 I191 E196 R749 K927	P115-R119 WeakPolarHBondContact O-CG 3.47Å; P115-R119 PolarHBondContact O-N 2.91Å; N116-R119 WeakPolarHBondContact O-CB 3.42Å; N116-R119 PolarHBondContact O-N 3.27Å; E117-R119 VanDerWaalsContact C-N 3.29Å; E117-R119 PolarHBondContact O-N 2.88Å; R119-E181 IonicContact CZ-OE1 3.49Å; R119-E181 IonicContact CZ-OE2 3.9Å; R119-E181 VanDerWaalsContact NH1-CD 3.34Å; R119-E181 IonicContact NH1-OE1 3.79Å; R119-E181 PolarHBondContact NH1-OE1 2.85Å; R119-E181 IonicContact NH1-OE2 2.86Å; R119-E181 PolarHBondContact NH1-OE2 2.64Å; R119-E181 IonicContact NH2-OE1 3.42Å; R119-E181 PolarHBondContact NH2-OE1 2.88Å; R119-E181 IonicContact NH2-OE2 2.72Å; R119-E181 PolarHBondContact NH2-OE2 3.29Å; R119-Y189 PolarHBondContact NH2-OH 3.11Å; R119-Y189 VanDerWaalsContact NH2-OH 3.1Å; R119-I191 HydrophobicContact CG-CD1 3.67Å; R119-I191 HydrophobicContact CG-CG1 4.13Å; R119-I191 HydrophobicContact CG-CG2 4.14Å; R119-E196 IonicContact CZ-OE1 3.71Å; R119-E196 IonicContact NE-OE1 2.75Å; R119-E196 PolarHBondContact NE-OE1 3.03Å; R119-E196 VanDerWaalsContact NE-OE1 3.13Å; R119-R749 VanDerWaalsContact CD-NH1 3.33Å; R119-R749 VanDerWaalsContact NE-NH1 3.13Å; R119-K927 PolarHBondContact O-NZ 3.48Å
120	L	94.1	Very high	94.3	Very high	36 Å²	36	26.2 Å²	26.2	19%	0.188	15%	0.146	C	C	.	.	H	α-helix	trans	-67.1	-51.5	-176.8	-70.4	178	0	0	0	112	N116 E117 N122 M750 M915 K927	N116-L120 WeakPolarHBondContact O-CG 3.49Å; N116-L120 PolarHBondContact O-N 3.13Å; E117-L120 PolarHBondContact O-N 2.91Å; E117-L120 VanDerWaalsContact O-N 3.17Å; L120-N122 PolarHBondContact O-N 3.21Å; L120-M750 HydrophobicContact CD2-CB 3.9Å; L120-M750 HydrophobicContact CD2-CG 3.68Å; L120-M915 HydrophobicContact CB-SD 3.8Å; L120-M915 HydrophobicContact CD2-SD 3.97Å; L120-M915 HydrophobicContact CG-SD 4.3Å; L120-M915 WeakPolarHBondContact O-CE 3.37Å; L120-K927 WeakPolarHBondContact O-CE 3.42Å; L120-K927 PolarHBondContact O-NZ 3.37Å
121	R	92.5	Very high	94.5	Very high	22 Å²	22	21.9 Å²	21.9	8%	0.083	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	3.7	-178.1	-68.8	-179.7	68.2	-175	3.5	114.9	E105 E117 L123 S917 L918	E105-R121 IonicContact OE1-CZ 3.06Å; E105-R121 IonicContact OE1-NH1 3.71Å; E105-R121 PolarHBondContact OE1-NH1 3.4Å; E105-R121 IonicContact OE1-NH2 2.58Å; E105-R121 PolarHBondContact OE1-NH2 3.07Å; E105-R121 IonicContact OE2-CZ 2.88Å; E105-R121 IonicContact OE2-NH1 3.45Å; E105-R121 IonicContact OE2-NH2 2.64Å; E105-R121 PolarHBondContact OE2-NH2 3.14Å; E117-R121 HydrophobicContact CG-CG 4.35Å; E117-R121 WeakPolarHBondContact O-CB 3.47Å; E117-R121 PolarHBondContact O-N 3.41Å; E117-R121 WeakPolarHBondContact OE1-CD 3.25Å; E117-R121 IonicContact OE1-CZ 3.76Å; E117-R121 IonicContact OE1-NH1 2.96Å; E117-R121 PolarHBondContact OE1-NH1 3.47Å; R121-L123 HydrophobicContact CB-CD1 3.98Å; R121-L123 HydrophobicContact CB-CD2 4.43Å; R121-L123 HydrophobicContact CB-CG 3.73Å; R121-L123 PolarHBondContact O-N 3.01Å; R121-S917 WeakPolarHBondContact CG-OG 3.34Å; R121-L918 PolarHBondContact NE-O 2.82Å
122	N	92.8	Very high	94.7	Very high	29 Å²	29	20.3 Å²	20.3	16%	0.155	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	36.8	-172	-60.4	-25.9	0	0	0	113.7	A118 L120 N193 F925 K927	A118-N122 PolarHBondContact O-N 3.31Å; L120-N122 PolarHBondContact O-N 3.21Å; N122-N193 CarbonylContact O-C 3.54Å; N122-N193 VanDerWaalsContact O-CA 3.3Å; N122-N193 WeakPolarHBondContact O-CA 3.23Å; N122-F925 WeakPolarHBondContact ND2-CE2 3.34Å; N122-F925 WeakPolarHBondContact ND2-CZ 3.27Å; N122-K927 WeakPolarHBondContact OD1-CE 3.09Å; N122-K927 PolarHBondContact OD1-NZ 3.21Å
123	L	93.8	Very high	94.7	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.026	8%	0.079	C	C	.	.			trans	-82.6	169	175.1	-55.8	175.5	0	0	0	110.5	M113 A118 R121 N193 G194 A920	M113-L123 HydrophobicContact CE-CB 4.19Å; M113-L123 HydrophobicContact CE-CD1 4.1Å; M113-L123 HydrophobicContact SD-CB 4.26Å; A118-L123 HydrophobicContact CB-CB 4.27Å; A118-L123 PolarHBondContact O-N 3.41Å; R121-L123 HydrophobicContact CB-CD1 3.98Å; R121-L123 HydrophobicContact CB-CD2 4.43Å; R121-L123 HydrophobicContact CB-CG 3.73Å; R121-L123 PolarHBondContact O-N 3.01Å; L123-N193 PolarHBondContact O-N 2.95Å; L123-G194 PolarHBondContact O-N 3.04Å; L123-A920 HydrophobicContact CD2-CB 3.72Å
124	T	95.9	Very high	94.7	Very high	20 Å²	20	17.2 Å²	17.2	12%	0.123	8%	0.084	C	C	.	.			trans	-104.4	118.4	171.1	-64	0	0	0	0	108.7	S126 I192 N193 Q450	T124-S126 PolarHBondContact O-N 3.48Å; T124-S126 PolarHBondContact O-OG 3.3Å; T124-I192 HydrophobicContact CG2-CB 4.47Å; T124-I192 HydrophobicContact CG2-CG1 4.31Å; T124-I192 HydrophobicContact CG2-CG2 4.23Å; T124-N193 PolarHBondContact OG1-N 3.12Å; T124-N193 VanDerWaalsContact OG1-N 3.13Å; T124-N193 PolarHBondContact OG1-OD1 2.87Å; T124-N193 VanDerWaalsContact OG1-OD1 3.1Å; T124-Q450 HydrophobicContact CG2-CG 4.43Å; T124-Q450 PolarHBondContact OG1-NE2 3.41Å
125	Y	96.8	Very high	94.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.			trans	-72.9	97.5	179.9	-171.8	-101.5	0	0	0	109.6	P101 M113 P115 A118 P158 I159 L161 C166 L167 I191	P101-Y125 HydrophobicContact CB-CD2 4.18Å; P101-Y125 HydrophobicContact CB-CE1 4.12Å; P101-Y125 HydrophobicContact CB-CE2 3.66Å; P101-Y125 HydrophobicContact CG-CD1 4.4Å; P101-Y125 HydrophobicContact CG-CE1 3.66Å; P101-Y125 HydrophobicContact CG-CE2 4.05Å; P101-Y125 VanDerWaalsContact CG-CZ 3.47Å; M113-Y125 HydrophobicContact CG-CD2 4.14Å; M113-Y125 WeakPolarHBondContact O-CE2 3.46Å; M113-Y125 HydrophobicContact SD-CD2 4.04Å; P115-Y125 HydrophobicContact CB-CE2 4.4Å; P115-Y125 HydrophobicContact CG-CD2 4.3Å; P115-Y125 HydrophobicContact CG-CE2 3.66Å; A118-Y125 HydrophobicContact CB-CD2 4.37Å; Y125-P158 WeakPolarHBondContact O-CA 3.44Å; Y125-I159 HydrophobicContact CD1-CB 4.04Å; Y125-I159 WeakPolarHBondContact CD1-O 3.44Å; Y125-I159 HydrophobicContact CE1-CB 3.97Å; Y125-I159 HydrophobicContact CE1-CG2 4.02Å; Y125-I159 PolarHBondContact O-N 3.36Å; Y125-L161 HydrophobicContact CD1-CD2 3.73Å; Y125-L161 HydrophobicContact CE1-CD2 3.59Å; Y125-L161 HydrophobicContact CG-CD2 4.34Å; Y125-C166 PolarHBondContact OH-SG 2.7Å; Y125-L167 PolarHBondContact OH-N 2.98Å; Y125-I191 PolarHBondContact N-O 3.13Å
126	S	96	Very high	94.4	Very high	10 Å²	10	16.6 Å²	16.6	7%	0.07	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	151	-171.2	56.4	0	0	0	0	111.3	P101 T124 I157	P101-S126 WeakPolarHBondContact CA-O 3.39Å; T124-S126 PolarHBondContact O-N 3.48Å; T124-S126 PolarHBondContact O-OG 3.3Å; S126-I157 CarbonylContact C-O 3.57Å; S126-I157 WeakPolarHBondContact CA-O 3.48Å; S126-I157 VanDerWaalsContact CB-O 3.29Å; S126-I157 WeakPolarHBondContact CB-O 3.49Å
127	A	96	Very high	94.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.8	177.5	0	0	0	0	0	110.7	L98 S99 P101 K156 I157 I159	L98-A127 HydrophobicContact CD1-CB 3.79Å; L98-A127 HydrophobicContact CG-CB 4.25Å; S99-A127 WeakPolarHBondContact O-CB 3.24Å; P101-A127 HydrophobicContact CG-CB 4.48Å; A127-K156 CarbonylContact O-C 3.57Å; A127-K156 WeakPolarHBondContact O-CA 3.28Å; A127-I157 PolarHBondContact N-O 2.84Å; A127-I157 PolarHBondContact O-N 3.43Å; A127-I159 HydrophobicContact CB-CD1 3.91Å; A127-I159 HydrophobicContact CB-CG1 3.6Å
128	P	96	Very high	93.8	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138.9	174.2	32.9	-37.3	0	0	0	111.6	S99 W104 Y130 F153	S99-P128 VanDerWaalsContact CB-CG 3.5Å; S99-P128 PolarHBondContact N-O 2.83Å; W104-P128 HydrophobicContact CH2-CB 3.82Å; W104-P128 HydrophobicContact CH2-CG 3.77Å; P128-Y130 HydrophobicContact CB-CE2 3.81Å; P128-Y130 HydrophobicContact CG-CE2 3.85Å; P128-F153 HydrophobicContact CB-CD2 4.06Å; P128-F153 HydrophobicContact CB-CE2 3.56Å
129	L	95.4	Very high	93.1	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.8	178.3	-170	73.1	0	0	0	109.4	I96 L98 I154 G155 I157 F409	I96-L129 HydrophobicContact CG2-CD1 3.29Å; I96-L129 HydrophobicContact CG2-CG 3.95Å; L98-L129 HydrophobicContact CB-CD1 4.32Å; L98-L129 HydrophobicContact CD1-CD1 3.92Å; L129-I154 HydrophobicContact CB-CG1 4.08Å; L129-I154 HydrophobicContact CD2-CD1 3.4Å; L129-I154 VanDerWaalsContact CD2-CD1 3.4Å; L129-I154 HydrophobicContact CD2-CG1 3.81Å; L129-I154 HydrophobicContact CG-CD1 3.8Å; L129-I154 HydrophobicContact CG-CG1 3.88Å; L129-I154 WeakPolarHBondContact O-CG1 3.32Å; L129-I154 PolarHBondContact O-N 3.42Å; L129-G155 WeakPolarHBondContact CB-O 3.43Å; L129-G155 PolarHBondContact N-O 2.98Å; L129-I157 HydrophobicContact CB-CG1 4.42Å; L129-I157 HydrophobicContact CD1-CD1 3.94Å; L129-I157 HydrophobicContact CD2-CD1 3.69Å; L129-I157 HydrophobicContact CD2-CG1 4.05Å; L129-I157 HydrophobicContact CG-CD1 4.32Å; L129-F409 HydrophobicContact CD2-CE2 3.95Å; L129-F409 HydrophobicContact CD2-CZ 4.03Å
130	Y	95.7	Very high	91.9	Very high	62 Å²	62	27.9 Å²	27.9	24%	0.243	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.5	178.1	-55.2	-87.4	0	0	0	110.2	I96 Y97 P128 K151 V152 F153	I96-Y130 CarbonylContact C-O 3.52Å; I96-Y130 WeakPolarHBondContact CA-O 3.38Å; I96-Y130 WeakPolarHBondContact CG2-O 3.41Å; Y97-Y130 PolarHBondContact N-O 3.1Å; Y97-Y130 PolarHBondContact O-N 2.96Å; P128-Y130 HydrophobicContact CB-CE2 3.81Å; P128-Y130 HydrophobicContact CG-CE2 3.85Å; Y130-K151 HydrophobicContact CD1-CB 4.48Å; Y130-K151 VanDerWaalsContact CD1-O 3.28Å; Y130-K151 WeakPolarHBondContact CD1-O 3.31Å; Y130-K151 HydrophobicContact CG-CB 4.5Å; Y130-V152 CarbonylContact C-O 3.59Å; Y130-V152 VanDerWaalsContact CA-O 3.26Å; Y130-V152 WeakPolarHBondContact CA-O 2.89Å; Y130-F153 HydrophobicContact CD1-CB 3.84Å; Y130-F153 HydrophobicContact CD1-CD2 4.15Å; Y130-F153 HydrophobicContact CE1-CB 3.75Å; Y130-F153 AromaticContact CE1-CD2 3.78Å; Y130-F153 HydrophobicContact CE1-CD2 3.78Å; Y130-F153 HydrophobicContact CE1-CG 4.18Å
131	V	94.1	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.2	177.1	70.5	0	0	0	0	110.7	V64 F93 Q95 I96 I133 V152 I154	V64-V131 HydrophobicContact CG1-CG2 4.14Å; F93-V131 HydrophobicContact CB-CG2 4.29Å; F93-V131 HydrophobicContact CD1-CG1 3.93Å; F93-V131 HydrophobicContact CD1-CG2 4.32Å; F93-V131 HydrophobicContact CE1-CG1 4.43Å; Q95-V131 WeakPolarHBondContact O-CA 3.34Å; I96-V131 HydrophobicContact CG1-CG2 4.1Å; V131-I133 HydrophobicContact CG1-CD1 3.99Å; V131-I133 HydrophobicContact CG1-CG1 3.78Å; V131-V152 PolarHBondContact N-O 2.93Å; V131-V152 PolarHBondContact O-N 2.84Å; V131-I154 HydrophobicContact CB-CD1 4.16Å; V131-I154 HydrophobicContact CB-CG2 4.46Å; V131-I154 HydrophobicContact CG1-CD1 4.17Å; V131-I154 HydrophobicContact CG1-CG1 4.47Å; V131-I154 HydrophobicContact CG1-CG2 3.44Å; V131-I154 VanDerWaalsContact CG1-CG2 3.44Å
132	D	94.7	Very high	90.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.011	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.9	169.1	-70.3	-13.4	0	0	0	110	E94 Q95 Y97 K148 H149 E150 K151	E94-D132 HydrophobicContact CB-CB 4.37Å; E94-D132 PolarHBondContact N-O 3.08Å; Q95-D132 PolarHBondContact O-N 3.49Å; Y97-D132 WeakPolarHBondContact CE2-OD1 3.26Å; Y97-D132 WeakPolarHBondContact CE2-OD2 3.34Å; Y97-D132 PolarHBondContact OH-OD2 2.88Å; D132-K148 IonicContact OD2-NZ 2.69Å; D132-H149 WeakPolarHBondContact CA-O 3.14Å; D132-E150 VanDerWaalsContact OD1-CA 3.25Å; D132-E150 WeakPolarHBondContact OD1-CA 3.18Å; D132-K151 PolarHBondContact OD1-N 3.46Å
133	I	93.5	Very high	89.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.8	-179.2	-50.9	176.6	0	0	0	109.6	K92 F93 V131 H149 V152 L436 V440	K92-I133 CarbonylContact O-C 3.59Å; K92-I133 WeakPolarHBondContact O-CA 3.5Å; F93-I133 HydrophobicContact CD1-CD1 3.88Å; F93-I133 HydrophobicContact CD1-CG1 3.71Å; F93-I133 HydrophobicContact CE1-CD1 3.43Å; F93-I133 VanDerWaalsContact CE1-CD1 3.43Å; F93-I133 HydrophobicContact CE1-CG1 3.81Å; F93-I133 HydrophobicContact CZ-CD1 4.22Å; V131-I133 HydrophobicContact CG1-CD1 3.99Å; V131-I133 HydrophobicContact CG1-CG1 3.78Å; I133-H149 PolarHBondContact N-O 3.01Å; I133-H149 PolarHBondContact O-N 3.31Å; I133-V152 HydrophobicContact CD1-CB 3.88Å; I133-V152 HydrophobicContact CD1-CG1 3.97Å; I133-V152 HydrophobicContact CD1-CG2 4.01Å; I133-V152 HydrophobicContact CG1-CB 4.35Å; I133-V152 HydrophobicContact CG1-CG2 4.24Å; I133-L436 HydrophobicContact CB-CD2 3.71Å; I133-L436 HydrophobicContact CD1-CD1 4.4Å; I133-L436 HydrophobicContact CD1-CD2 3.84Å; I133-L436 HydrophobicContact CD1-CG 4.26Å; I133-L436 HydrophobicContact CG1-CD2 4.33Å; I133-L436 HydrophobicContact CG2-CD1 4.28Å; I133-L436 HydrophobicContact CG2-CD2 3.65Å; I133-V440 HydrophobicContact CD1-CG2 4.46Å
134	T	93.3	Very high	89.2	Confident	21 Å²	21	43.7 Å²	43.7	13%	0.129	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	116.1	174.7	-57.7	0	0	0	0	109.1	K92 E94	K92-T134 PolarHBondContact N-O 3.36Å; K92-T134 PolarHBondContact O-N 3.42Å; E94-T134 PolarHBondContact OE1-OG1 2.95Å
135	K	91.8	Very high	88.7	Confident	14 Å²	14	50 Å²	50	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.6	173.4	174.5	-177.3	179.6	-176.4	0	108.8	S90 L91 V137 C146 T147 D433 F434	S90-K135 WeakPolarHBondContact O-CA 3.38Å; L91-K135 HydrophobicContact CD2-CB 3.69Å; L91-K135 HydrophobicContact CD2-CD 4.43Å; L91-K135 HydrophobicContact CD2-CG 3.8Å; K135-V137 HydrophobicContact CG-CG2 4.24Å; K135-C146 CarbonylContact O-C 3.59Å; K135-C146 WeakPolarHBondContact O-CA 3.29Å; K135-T147 PolarHBondContact N-O 3.03Å; K135-T147 PolarHBondContact O-N 3.4Å; K135-T147 PolarHBondContact O-OG1 2.8Å; K135-D433 IonicContact NZ-OD1 2.97Å; K135-D433 PolarHBondContact NZ-OD1 2.91Å; K135-D433 IonicContact NZ-OD2 2.61Å; K135-F434 HydrophobicContact CD-CZ 4.42Å; K135-F434 PolarHBondContact NZ-O 3.05Å
136	T	91.9	Very high	88.2	Confident	36 Å²	36	54 Å²	54	22%	0.221	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.2	175.1	-58	0	0	0	0	109.4	Y89 S90 P144 R145 C146	Y89-T136 WeakPolarHBondContact CA-O 3.41Å; S90-T136 PolarHBondContact N-O 3.17Å; S90-T136 PolarHBondContact O-N 2.94Å; T136-P144 HydrophobicContact CG2-CB 3.87Å; T136-R145 WeakPolarHBondContact CA-O 3.33Å; T136-C146 PolarHBondContact OG1-SG 2.86Å
137	V	89	Confident	87.9	Confident	24 Å²	24	56.6 Å²	56.6	15%	0.145	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.8	176.6	-171.7	0	0	0	0	108.4	T87 Y89 K135 P144 R145	T87-V137 HydrophobicContact CG2-CG1 3.53Å; Y89-V137 HydrophobicContact CD1-CB 4.34Å; Y89-V137 HydrophobicContact CD1-CG1 4.05Å; Y89-V137 HydrophobicContact CD1-CG2 3.71Å; Y89-V137 HydrophobicContact CE1-CB 4.3Å; Y89-V137 HydrophobicContact CE1-CG1 3.65Å; Y89-V137 HydrophobicContact CE1-CG2 3.73Å; K135-V137 HydrophobicContact CG-CG2 4.24Å; V137-P144 CarbonylContact O-C 3.58Å; V137-P144 WeakPolarHBondContact O-CA 3.42Å; V137-R145 PolarHBondContact N-O 3.28Å; V137-R145 PolarHBondContact O-N 2.93Å
138	S	86.8	Confident	87.7	Confident	47 Å²	47	61.6 Å²	61.6	33%	0.329	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.2	176.9	49	0	0	0	0	109.6	K88	K88-S138 VanDerWaalsContact CB-OG 3.31Å; K88-S138 WeakPolarHBondContact CB-OG 3.21Å; K88-S138 PolarHBondContact N-O 3Å; K88-S138 PolarHBondContact O-N 2.82Å; K88-S138 PolarHBondContact O-OG 2.8Å
139	R	80	Confident	87.4	Confident	119 Å²	119	64.4 Å²	64.4	45%	0.449	34%	0.341	S	S	.	.			trans	-111.1	139.4	170.2	-68.7	-178.3	177.8	172.1	0.8	107.4	T87 G141 E142	T87-R139 HydrophobicContact CG2-CG 3.65Å; R139-G141 PolarHBondContact O-N 3.06Å; R139-E142 HydrophobicContact CB-CB 4.44Å; R139-E142 PolarHBondContact O-N 2.83Å
140	D	70.7	Confident	87.3	Confident	134 Å²	134	70.8 Å²	70.8	72%	0.717	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	128.2	-179.7	-152.1	2.1	0	0	0	109.7	I85	I85-D140 HydrophobicContact CD1-CB 4.27Å; I85-D140 WeakPolarHBondContact CD1-OD2 3.08Å; I85-D140 HydrophobicContact CG2-CB 4.12Å
141	G	73.9	Confident	87.1	Confident	80 Å²	80	73.9 Å²	73.9	83%	0.825	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-5.8	-174.4	0	0	0	0	0	117.1	R139	R139-G141 PolarHBondContact O-N 3.06Å
142	E	78.6	Confident	87	Confident	90 Å²	90	74.3 Å²	74.3	42%	0.421	39%	0.388	S	S	.	.	S	Bend	trans	-115.7	149.6	172.3	-70.4	-173.6	-156.7	0	0	111.3	R139 R145	R139-E142 HydrophobicContact CB-CB 4.44Å; R139-E142 PolarHBondContact O-N 2.83Å; E142-R145 IonicContact OE1-NH2 3.97Å; E142-R145 IonicContact OE2-CZ 3.44Å; E142-R145 IonicContact OE2-NE 3.33Å; E142-R145 PolarHBondContact OE2-NE 3.45Å; E142-R145 IonicContact OE2-NH2 2.8Å; E142-R145 PolarHBondContact OE2-NH2 3.11Å
143	E	80.3	Confident	87	Confident	176 Å²	176	77.5 Å²	77.5	82%	0.822	40%	0.402	S	S	*	.			trans	-60.9	141.5	169.2	-73	-170.6	168.4	0	0	110.6	R145	E143-R145 PolarHBondContact O-N 2.76Å; E143-R145 VanDerWaalsContact O-N 3.1Å
144	P	82.5	Confident	87	Confident	78 Å²	78	77.5 Å²	77.5	51%	0.506	40%	0.402	S	S	.	.			trans	-60.9	117.8	-179.6	24.8	-33.1	0	0	0	110.2	T136 V137 C146	T136-P144 HydrophobicContact CG2-CB 3.87Å; V137-P144 CarbonylContact O-C 3.58Å; V137-P144 WeakPolarHBondContact O-CA 3.42Å; P144-C146 PolarHBondContact O-N 3.38Å
145	R	85.5	Confident	87.1	Confident	154 Å²	154	76.5 Å²	76.5	58%	0.581	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	112.5	177.5	-61.1	-172.1	-168.9	-167.7	3.5	109.2	T136 V137 E142 E143	T136-R145 WeakPolarHBondContact CA-O 3.33Å; V137-R145 PolarHBondContact N-O 3.28Å; V137-R145 PolarHBondContact O-N 2.93Å; E142-R145 IonicContact OE1-NH2 3.97Å; E142-R145 IonicContact OE2-CZ 3.44Å; E142-R145 IonicContact OE2-NE 3.33Å; E142-R145 PolarHBondContact OE2-NE 3.45Å; E142-R145 IonicContact OE2-NH2 2.8Å; E142-R145 PolarHBondContact OE2-NH2 3.11Å; E143-R145 PolarHBondContact O-N 2.76Å; E143-R145 VanDerWaalsContact O-N 3.1Å
146	C	86.9	Confident	87.2	Confident	82 Å²	82	78.1 Å²	78.1	55%	0.554	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	120	176.2	-67.9	0	0	0	0	110.4	K135 T136 P144	K135-C146 CarbonylContact O-C 3.59Å; K135-C146 WeakPolarHBondContact O-CA 3.29Å; T136-C146 PolarHBondContact OG1-SG 2.86Å; P144-C146 PolarHBondContact O-N 3.38Å
147	T	90.1	Very high	87.4	Confident	65 Å²	65	76.5 Å²	76.5	40%	0.399	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.3	172.9	53.3	0	0	0	0	109.3	K135	K135-T147 PolarHBondContact N-O 3.03Å; K135-T147 PolarHBondContact O-N 3.4Å; K135-T147 PolarHBondContact O-OG1 2.8Å
148	K	90.7	Very high	87.8	Confident	106 Å²	106	75.7 Å²	75.7	46%	0.461	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.8	175.7	-169.8	177.8	-178.8	-174.1	0	109.7	E94 D132 E150	E94-K148 IonicContact OE2-NZ 3.78Å; D132-K148 IonicContact OD2-NZ 2.69Å; K148-E150 HydrophobicContact CD-CG 4.49Å; K148-E150 HydrophobicContact CG-CG 4.43Å
149	H	90.9	Very high	88.3	Confident	60 Å²	60	73.5 Å²	73.5	28%	0.278	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.1	171	-66.9	-93.5	0	0	0	108.3	D132 I133 V152 L436	D132-H149 WeakPolarHBondContact CA-O 3.14Å; I133-H149 PolarHBondContact N-O 3.01Å; I133-H149 PolarHBondContact O-N 3.31Å; H149-V152 HydrophobicContact CB-CG2 3.68Å; H149-L436 HydrophobicContact CB-CD2 3.99Å
150	E	91.4	Very high	89.1	Confident	137 Å²	137	67.9 Å²	67.9	64%	0.64	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.3	-179.5	-61.8	-171.5	164.7	0	0	111.4	D132 K148 V152	D132-E150 VanDerWaalsContact OD1-CA 3.25Å; D132-E150 WeakPolarHBondContact OD1-CA 3.18Å; K148-E150 HydrophobicContact CD-CG 4.49Å; K148-E150 HydrophobicContact CG-CG 4.43Å; E150-V152 PolarHBondContact O-N 2.84Å
151	K	91.4	Very high	90.4	Very high	126 Å²	126	61.5 Å²	61.5	55%	0.548	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.8	48.7	172.1	-59.6	177.8	-178.9	173.2	0	114.3	Y97 Y130 D132 F153	Y97-K151 HydrophobicContact CD2-CG 4Å; Y97-K151 HydrophobicContact CE2-CG 4.18Å; Y130-K151 HydrophobicContact CD1-CB 4.48Å; Y130-K151 VanDerWaalsContact CD1-O 3.28Å; Y130-K151 WeakPolarHBondContact CD1-O 3.31Å; Y130-K151 HydrophobicContact CG-CB 4.5Å; D132-K151 PolarHBondContact OD1-N 3.46Å; K151-F153 PolarHBondContact O-N 2.75Å
152	V	93.3	Very high	91.4	Very high	9 Å²	9	60.7 Å²	60.7	6%	0.055	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	125.5	173	-177.3	0	0	0	0	109.6	Y130 V131 I133 H149 E150 I154 L436 V440	Y130-V152 CarbonylContact C-O 3.59Å; Y130-V152 VanDerWaalsContact CA-O 3.26Å; Y130-V152 WeakPolarHBondContact CA-O 2.89Å; V131-V152 PolarHBondContact N-O 2.93Å; V131-V152 PolarHBondContact O-N 2.84Å; I133-V152 HydrophobicContact CD1-CB 3.88Å; I133-V152 HydrophobicContact CD1-CG1 3.97Å; I133-V152 HydrophobicContact CD1-CG2 4.01Å; I133-V152 HydrophobicContact CG1-CB 4.35Å; I133-V152 HydrophobicContact CG1-CG2 4.24Å; H149-V152 HydrophobicContact CB-CG2 3.68Å; E150-V152 PolarHBondContact O-N 2.84Å; V152-I154 PolarHBondContact O-N 2.93Å; V152-L436 HydrophobicContact CG2-CD2 4.46Å; V152-V440 HydrophobicContact CG1-CG2 4.38Å
153	F	94.4	Very high	92.2	Very high	69 Å²	69	56.4 Å²	56.4	30%	0.303	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.1	179.3	178.9	-116.3	0	0	0	111.3	P128 Y130 K151 G155 K156 T442	P128-F153 HydrophobicContact CB-CD2 4.06Å; P128-F153 HydrophobicContact CB-CE2 3.56Å; Y130-F153 HydrophobicContact CD1-CB 3.84Å; Y130-F153 HydrophobicContact CD1-CD2 4.15Å; Y130-F153 HydrophobicContact CE1-CB 3.75Å; Y130-F153 AromaticContact CE1-CD2 3.78Å; Y130-F153 HydrophobicContact CE1-CD2 3.78Å; Y130-F153 HydrophobicContact CE1-CG 4.18Å; K151-F153 PolarHBondContact O-N 2.75Å; F153-G155 WeakPolarHBondContact CE2-O 3.47Å; F153-K156 HydrophobicContact CE2-CG 4.26Å; F153-K156 HydrophobicContact CZ-CG 3.94Å; F153-T442 HydrophobicContact CD1-CG2 3.49Å; F153-T442 VanDerWaalsContact CD1-CG2 3.49Å; F153-T442 HydrophobicContact CE1-CG2 3.67Å; F153-T442 HydrophobicContact CG-CG2 4.43Å; F153-T442 WeakPolarHBondContact O-CG2 3.39Å
154	I	93.9	Very high	92.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-16.1	-178	54.1	169.4	0	0	0	114.1	L129 V131 V152 L416 V440 T442 I445	L129-I154 HydrophobicContact CB-CG1 4.08Å; L129-I154 HydrophobicContact CD2-CD1 3.4Å; L129-I154 VanDerWaalsContact CD2-CD1 3.4Å; L129-I154 HydrophobicContact CD2-CG1 3.81Å; L129-I154 HydrophobicContact CG-CD1 3.8Å; L129-I154 HydrophobicContact CG-CG1 3.88Å; L129-I154 WeakPolarHBondContact O-CG1 3.32Å; L129-I154 PolarHBondContact O-N 3.42Å; V131-I154 HydrophobicContact CB-CD1 4.16Å; V131-I154 HydrophobicContact CB-CG2 4.46Å; V131-I154 HydrophobicContact CG1-CD1 4.17Å; V131-I154 HydrophobicContact CG1-CG1 4.47Å; V131-I154 HydrophobicContact CG1-CG2 3.44Å; V131-I154 VanDerWaalsContact CG1-CG2 3.44Å; V152-I154 PolarHBondContact O-N 2.93Å; I154-L416 HydrophobicContact CB-CD2 4.48Å; I154-V440 HydrophobicContact CB-CG1 4.44Å; I154-V440 HydrophobicContact CG2-CG1 3.94Å; I154-T442 WeakPolarHBondContact O-CA 3.4Å; I154-I445 HydrophobicContact CB-CD1 4.5Å
155	G	94.6	Very high	93.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.8	-171.3	177.2	0	0	0	0	0	112.9	L129 F153 T446	L129-G155 WeakPolarHBondContact CB-O 3.43Å; L129-G155 PolarHBondContact N-O 2.98Å; F153-G155 WeakPolarHBondContact CE2-O 3.47Å; G155-T446 WeakPolarHBondContact CA-OG1 3.49Å
156	K	95.3	Very high	93.8	Very high	48 Å²	48	43.1 Å²	43.1	21%	0.209	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.6	175	-52.7	-176.3	179.7	-177.2	0	111.2	W104 A127 F153 T446	W104-K156 HydrophobicContact CZ3-CD 4.39Å; A127-K156 CarbonylContact O-C 3.57Å; A127-K156 WeakPolarHBondContact O-CA 3.28Å; F153-K156 HydrophobicContact CE2-CG 4.26Å; F153-K156 HydrophobicContact CZ-CG 3.94Å; K156-T446 HydrophobicContact CB-CG2 4.02Å; K156-T446 HydrophobicContact CG-CG2 4.35Å; K156-T446 PolarHBondContact N-OG1 3.06Å
157	I	96	Very high	94.2	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.1	172.2	-63.8	-174.1	0	0	0	108.8	I56 S126 A127 L129 I159 F409 L449	I56-I157 HydrophobicContact CD1-CD1 4.32Å; I56-I157 HydrophobicContact CD1-CG2 4.13Å; S126-I157 CarbonylContact C-O 3.57Å; S126-I157 WeakPolarHBondContact CA-O 3.48Å; S126-I157 VanDerWaalsContact CB-O 3.29Å; S126-I157 WeakPolarHBondContact CB-O 3.49Å; A127-I157 PolarHBondContact N-O 2.84Å; A127-I157 PolarHBondContact O-N 3.43Å; L129-I157 HydrophobicContact CB-CG1 4.42Å; L129-I157 HydrophobicContact CD1-CD1 3.94Å; L129-I157 HydrophobicContact CD2-CD1 3.69Å; L129-I157 HydrophobicContact CD2-CG1 4.05Å; L129-I157 HydrophobicContact CG-CD1 4.32Å; I157-I159 HydrophobicContact CG2-CD1 4.5Å; I157-I159 PolarHBondContact O-N 3.28Å; I157-F409 HydrophobicContact CD1-CE2 4.35Å; I157-L449 HydrophobicContact CG1-CD1 4.16Å
158	P	96.8	Very high	94.4	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.045	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	128.4	169.5	-25	37.3	0	0	0	111.7	Y125 F190 L449 L453	Y125-P158 WeakPolarHBondContact O-CA 3.44Å; P158-F190 HydrophobicContact CB-CD1 4.09Å; P158-F190 WeakPolarHBondContact O-CE1 3.01Å; P158-L449 HydrophobicContact CG-CB 4.33Å; P158-L453 HydrophobicContact CB-CD1 3.98Å; P158-L453 HydrophobicContact CG-CD1 3.83Å
159	I	97.4	Very high	94.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-98.3	134.6	-176.6	-60.8	-55.3	0	0	0	110.1	F52 L98 P101 Y125 A127 I157 C166	F52-I159 HydrophobicContact CE1-CD1 4.47Å; F52-I159 HydrophobicContact CE1-CG2 4.45Å; F52-I159 HydrophobicContact CZ-CD1 4.08Å; L98-I159 HydrophobicContact CD2-CD1 3.98Å; P101-I159 HydrophobicContact CG-CB 4.21Å; P101-I159 HydrophobicContact CG-CG1 4.07Å; P101-I159 HydrophobicContact CG-CG2 4.34Å; Y125-I159 HydrophobicContact CD1-CB 4.04Å; Y125-I159 WeakPolarHBondContact CD1-O 3.44Å; Y125-I159 HydrophobicContact CE1-CB 3.97Å; Y125-I159 HydrophobicContact CE1-CG2 4.02Å; Y125-I159 PolarHBondContact O-N 3.36Å; A127-I159 HydrophobicContact CB-CD1 3.91Å; A127-I159 HydrophobicContact CB-CG1 3.6Å; I157-I159 HydrophobicContact CG2-CD1 4.5Å; I157-I159 PolarHBondContact O-N 3.28Å; I159-C166 HydrophobicContact CG2-CB 4.21Å
160	M	97.4	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-74.3	135.6	175.2	-173.1	178.8	-73.7	0	0	109.9	Q48 L49 F52 S163 G188 F190 A401	Q48-M160 HydrophobicContact CB-CE 4.37Å; Q48-M160 HydrophobicContact CB-SD 4.18Å; Q48-M160 VanDerWaalsContact O-SD 3.41Å; L49-M160 HydrophobicContact CD2-CG 4.34Å; L49-M160 HydrophobicContact CD2-SD 3.91Å; F52-M160 HydrophobicContact CB-CB 4.4Å; F52-M160 HydrophobicContact CB-CE 3.81Å; F52-M160 HydrophobicContact CB-SD 3.9Å; F52-M160 HydrophobicContact CD1-CB 3.66Å; F52-M160 HydrophobicContact CD2-CB 4.15Å; F52-M160 HydrophobicContact CD2-CE 4.33Å; F52-M160 HydrophobicContact CE1-CB 3.9Å; F52-M160 HydrophobicContact CE2-CB 4.37Å; F52-M160 HydrophobicContact CG-CB 3.78Å; F52-M160 HydrophobicContact CG-CE 4.18Å; F52-M160 HydrophobicContact CG-SD 4.31Å; F52-M160 HydrophobicContact CZ-CB 4.25Å; M160-S163 WeakPolarHBondContact O-CB 3.35Å; M160-S163 PolarHBondContact O-N 3.29Å; M160-S163 PolarHBondContact O-OG 3.35Å; M160-G188 VanDerWaalsContact SD-CA 3.57Å; M160-F190 HydrophobicContact CB-CD1 4.27Å; M160-F190 HydrophobicContact CB-CE1 3.74Å; M160-F190 HydrophobicContact CB-CZ 3.92Å; M160-F190 HydrophobicContact CE-CE2 3.56Å; M160-F190 HydrophobicContact CE-CZ 3.55Å; M160-F190 HydrophobicContact CG-CZ 4.42Å; M160-A401 HydrophobicContact CE-CB 3.75Å
161	L	96.8	Very high	94.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	141	179	-63.6	-172.6	0	0	0	112	L49 P115 Y125 S163 G188 Y189 I191	L49-L161 WeakPolarHBondContact CD2-O 3.22Å; P115-L161 HydrophobicContact CB-CD1 4.23Å; P115-L161 HydrophobicContact CB-CD2 3.77Å; P115-L161 HydrophobicContact CG-CD2 3.71Å; Y125-L161 HydrophobicContact CD1-CD2 3.73Å; Y125-L161 HydrophobicContact CE1-CD2 3.59Å; Y125-L161 HydrophobicContact CG-CD2 4.34Å; L161-S163 PolarHBondContact O-N 2.94Å; L161-G188 PolarHBondContact O-N 2.91Å; L161-Y189 HydrophobicContact CD1-CD2 4.17Å; L161-Y189 HydrophobicContact CD1-CE1 4.28Å; L161-Y189 HydrophobicContact CD1-CE2 3.34Å; L161-Y189 VanDerWaalsContact CD1-OH 3.24Å; L161-Y189 WeakPolarHBondContact CD1-OH 3.44Å; L161-Y189 HydrophobicContact CG-CE2 4.24Å; L161-Y189 PolarHBondContact N-O 3.35Å; L161-I191 HydrophobicContact CD1-CD1 3.61Å; L161-I191 HydrophobicContact CD1-CG1 4.03Å; L161-I191 HydrophobicContact CD2-CD1 4.13Å; L161-I191 HydrophobicContact CG-CD1 4.24Å
162	R	94.4	Very high	94.5	Very high	63 Å²	63	33.3 Å²	33.3	24%	0.238	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	13.4	-173.4	-59.5	-164.4	173.2	-164.1	5	115.6	C166 L168 C182 P183 D185	R162-C166 PolarHBondContact N-SG 2.78Å; R162-L168 HydrophobicContact CG-CB 4.46Å; R162-C182 PolarHBondContact NH2-O 3.01Å; R162-P183 PolarHBondContact NH1-O 3.04Å; R162-P183 PolarHBondContact NH2-O 2.89Å; R162-D185 PolarHBondContact NE-O 3.16Å; R162-D185 PolarHBondContact NH1-O 3.31Å; R162-D185 PolarHBondContact NH2-O 3.31Å
163	S	95.3	Very high	94.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-70.2	166.2	164.4	63.2	0	0	0	0	111.3	D53 M160 L161 Y165 C166 N169	D53-S163 WeakPolarHBondContact OD1-CB 3.25Å; M160-S163 WeakPolarHBondContact O-CB 3.35Å; M160-S163 PolarHBondContact O-N 3.29Å; M160-S163 PolarHBondContact O-OG 3.35Å; L161-S163 PolarHBondContact O-N 2.94Å; S163-Y165 PolarHBondContact O-N 3.31Å; S163-Y165 VanDerWaalsContact O-N 3.09Å; S163-C166 VanDerWaalsContact O-CB 3.27Å; S163-C166 WeakPolarHBondContact O-CB 3.38Å; S163-C166 PolarHBondContact O-N 3.15Å; S163-N169 WeakPolarHBondContact O-CB 3.44Å
164	T	94.3	Very high	94.5	Very high	57 Å²	57	43.5 Å²	43.5	35%	0.35	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.1	-179.8	53.7	0	0	0	0	113.9	D53	D53-T164 HydrophobicContact CB-CG2 4.42Å; D53-T164 VanDerWaalsContact CG-OG1 3.28Å; D53-T164 WeakPolarHBondContact OD1-CB 3.43Å; D53-T164 PolarHBondContact OD1-N 3.35Å; D53-T164 PolarHBondContact OD1-OG1 2.76Å; D53-T164 WeakPolarHBondContact OD2-CG2 3.41Å
165	Y	93.9	Very high	94.6	Very high	67 Å²	67	46.5 Å²	46.5	26%	0.263	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.7	-179.4	-62.8	-82.3	0	0	0	114.4	I56 Q57 L98 S163	I56-Y165 HydrophobicContact CB-CD2 4Å; I56-Y165 HydrophobicContact CB-CE2 3.62Å; I56-Y165 HydrophobicContact CG1-CD2 4.38Å; I56-Y165 HydrophobicContact CG1-CE2 4.48Å; I56-Y165 HydrophobicContact CG2-CD1 4.43Å; I56-Y165 HydrophobicContact CG2-CD2 3.64Å; I56-Y165 HydrophobicContact CG2-CE1 4.07Å; I56-Y165 HydrophobicContact CG2-CE2 3.21Å; I56-Y165 HydrophobicContact CG2-CG 4.22Å; I56-Y165 VanDerWaalsContact CG2-CZ 3.45Å; Q57-Y165 HydrophobicContact CG-CE2 4.07Å; Q57-Y165 VanDerWaalsContact CG-OH 3.25Å; Q57-Y165 WeakPolarHBondContact CG-OH 3.48Å; L98-Y165 HydrophobicContact CD2-CD1 3.86Å; L98-Y165 HydrophobicContact CD2-CD2 4.49Å; L98-Y165 HydrophobicContact CD2-CE1 4.31Å; L98-Y165 HydrophobicContact CD2-CG 3.95Å; S163-Y165 PolarHBondContact O-N 3.31Å; S163-Y165 VanDerWaalsContact O-N 3.09Å
166	C	95.2	Very high	94.6	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.034	24%	0.243	C	C	.	.	S	Bend	trans	-79.6	144.6	176.4	-177.6	0	0	0	0	110.8	Y125 I159 R162 S163 L168 N169	Y125-C166 PolarHBondContact OH-SG 2.7Å; I159-C166 HydrophobicContact CG2-CB 4.21Å; R162-C166 PolarHBondContact N-SG 2.78Å; S163-C166 VanDerWaalsContact O-CB 3.27Å; S163-C166 WeakPolarHBondContact O-CB 3.38Å; S163-C166 PolarHBondContact O-N 3.15Å; C166-L168 PolarHBondContact O-N 3.23Å; C166-L168 VanDerWaalsContact O-N 3.15Å; C166-N169 PolarHBondContact O-N 3.09Å
167	L	93.8	Very high	94.5	Very high	33 Å²	33	48.1 Å²	48.1	17%	0.173	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.7	175.8	-65.9	179.1	0	0	0	114	K100 P112 M113 M114 Y125 N169	K100-L167 HydrophobicContact CB-CD2 3.96Å; K100-L167 HydrophobicContact CD-CD2 3.71Å; K100-L167 HydrophobicContact CG-CD2 4.14Å; P112-L167 HydrophobicContact CB-CD1 4.12Å; M113-L167 WeakPolarHBondContact O-CD1 3.35Å; M114-L167 HydrophobicContact SD-CD1 4.22Å; Y125-L167 PolarHBondContact OH-N 2.98Å; L167-N169 VanDerWaalsContact C-N 3.32Å
168	L	94.4	Very high	94.5	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.047	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.9	-179.1	-56.3	-176	0	0	0	114.3	P115 R162 C166 L171 L176 L179 E181	P115-L168 HydrophobicContact CG-CD1 3.86Å; P115-L168 HydrophobicContact CG-CD2 4.28Å; P115-L168 HydrophobicContact CG-CG 3.96Å; R162-L168 HydrophobicContact CG-CB 4.46Å; C166-L168 PolarHBondContact O-N 3.23Å; C166-L168 VanDerWaalsContact O-N 3.15Å; L168-L171 HydrophobicContact CD2-CD1 4.3Å; L168-L176 HydrophobicContact CB-CD2 4.18Å; L168-L176 HydrophobicContact CD2-CD2 3.96Å; L168-L176 HydrophobicContact CG-CD2 4.48Å; L168-L179 HydrophobicContact CD2-CD1 4.19Å; L168-E181 HydrophobicContact CD1-CG 4.15Å; L168-E181 HydrophobicContact CD2-CG 4.14Å
169	N	92.1	Very high	94.3	Very high	87 Å²	87	55.4 Å²	55.4	47%	0.465	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	132.5	-178.2	-176.6	41.3	0	0	0	110.9	S163 C166 L167 L171	S163-N169 WeakPolarHBondContact O-CB 3.44Å; C166-N169 PolarHBondContact O-N 3.09Å; L167-N169 VanDerWaalsContact C-N 3.32Å; N169-L171 VanDerWaalsContact C-N 3.29Å; N169-L171 PolarHBondContact O-N 3.42Å
170	G	88.5	Confident	94.2	Very high	71 Å²	71	59.1 Å²	59.1	73%	0.732	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	6.9	-179.8	0	0	0	0	0	115.6
171	L	93	Very high	94.1	Very high	59 Å²	59	59.5 Å²	59.5	31%	0.309	32%	0.315	S	S	.	.			trans	-81.6	143.9	172.3	-63.7	-173.8	0	0	0	110.8	L168 N169 D175 L176 L179	L168-L171 HydrophobicContact CD2-CD1 4.3Å; N169-L171 VanDerWaalsContact C-N 3.29Å; N169-L171 PolarHBondContact O-N 3.42Å; L171-D175 HydrophobicContact CB-CB 4.18Å; L171-D175 HydrophobicContact CD2-CB 4.5Å; L171-L176 HydrophobicContact CB-CD2 4.07Å; L171-L176 HydrophobicContact CB-CG 4.19Å; L171-L176 HydrophobicContact CD1-CD2 4.25Å; L171-L179 HydrophobicContact CD1-CD1 3.56Å
172	N	93.4	Very high	94	Very high	111 Å²	111	59.5 Å²	59.5	59%	0.594	32%	0.315	S	S	*	.			trans	-75.9	161.3	175.6	-65.6	-31.7	0	0	0	111	R174 D175 L176	N172-R174 PolarHBondContact O-N 2.9Å; N172-R174 VanDerWaalsContact O-N 3.11Å; N172-D175 PolarHBondContact N-OD2 2.83Å; N172-D175 PolarHBondContact O-N 3.04Å; N172-L176 WeakPolarHBondContact O-CG 3.22Å; N172-L176 PolarHBondContact O-N 3.33Å
173	D	93.1	Very high	93.9	Very high	98 Å²	98	57.4 Å²	57.4	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-56.3	-32.1	180	-73.5	-12.9	0	0	0	113.4	T177 P183	D173-T177 PolarHBondContact O-N 3.47Å; D173-T177 VanDerWaalsContact O-N 3.1Å; D173-T177 PolarHBondContact O-OG1 3.31Å; D173-P183 HydrophobicContact CB-CB 4.1Å; D173-P183 HydrophobicContact CB-CG 4.25Å
174	R	95.3	Very high	93.8	Very high	193 Å²	193	59 Å²	59	73%	0.728	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-49.5	174.1	-176.6	179.7	174.3	177.2	-0.2	111.9	N172 L176 T177 D178	N172-R174 PolarHBondContact O-N 2.9Å; N172-R174 VanDerWaalsContact O-N 3.11Å; R174-L176 VanDerWaalsContact C-N 3.27Å; R174-L176 PolarHBondContact O-N 2.94Å; R174-T177 WeakPolarHBondContact O-CA 3.43Å; R174-T177 WeakPolarHBondContact O-CB 3.43Å; R174-T177 PolarHBondContact O-N 3.12Å; R174-D178 PolarHBondContact O-N 3.01Å
175	D	95.2	Very high	93.7	Very high	63 Å²	63	56.8 Å²	56.8	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-37.4	-179.7	-55.4	-36.4	0	0	0	110.8	L171 N172 T177 D178 L179	L171-D175 HydrophobicContact CB-CB 4.18Å; L171-D175 HydrophobicContact CD2-CB 4.5Å; N172-D175 PolarHBondContact N-OD2 2.83Å; N172-D175 PolarHBondContact O-N 3.04Å; D175-T177 VanDerWaalsContact C-N 3.32Å; D175-T177 PolarHBondContact O-N 3.41Å; D175-D178 PolarHBondContact O-N 3.33Å; D175-L179 WeakPolarHBondContact O-CG 3.42Å; D175-L179 PolarHBondContact O-N 3.12Å
176	L	94.6	Very high	93.7	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-42.2	173	-69.1	176.1	0	0	0	111.7	L168 L171 N172 R174 L179 N180 E181	L168-L176 HydrophobicContact CB-CD2 4.18Å; L168-L176 HydrophobicContact CD2-CD2 3.96Å; L168-L176 HydrophobicContact CG-CD2 4.48Å; L171-L176 HydrophobicContact CB-CD2 4.07Å; L171-L176 HydrophobicContact CB-CG 4.19Å; L171-L176 HydrophobicContact CD1-CD2 4.25Å; N172-L176 WeakPolarHBondContact O-CG 3.22Å; N172-L176 PolarHBondContact O-N 3.33Å; R174-L176 VanDerWaalsContact C-N 3.27Å; R174-L176 PolarHBondContact O-N 2.94Å; L176-L179 CarbonylContact O-C 3.54Å; L176-L179 PolarHBondContact O-N 3.03Å; L176-N180 PolarHBondContact O-N 2.72Å; L176-E181 WeakPolarHBondContact O-CA 3.47Å; L176-E181 PolarHBondContact O-N 2.99Å
177	T	94.3	Very high	93.6	Very high	78 Å²	78	54.2 Å²	54.2	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-66.1	-41.7	177.9	-56.2	0	0	0	0	111.2	D173 R174 D175 L179 N180	D173-T177 PolarHBondContact O-N 3.47Å; D173-T177 VanDerWaalsContact O-N 3.1Å; D173-T177 PolarHBondContact O-OG1 3.31Å; R174-T177 WeakPolarHBondContact O-CA 3.43Å; R174-T177 WeakPolarHBondContact O-CB 3.43Å; R174-T177 PolarHBondContact O-N 3.12Å; D175-T177 VanDerWaalsContact C-N 3.32Å; D175-T177 PolarHBondContact O-N 3.41Å; T177-L179 PolarHBondContact O-N 3.13Å; T177-N180 WeakPolarHBondContact O-CA 3.31Å; T177-N180 PolarHBondContact O-N 2.68Å
178	D	94.7	Very high	93.7	Very high	109 Å²	109	52.7 Å²	52.7	58%	0.583	29%	0.288	S	S	*	.	H	α-helix	trans	-62.3	-33.3	176.2	-69.7	-18.4	0	0	0	111.7	R174 D175 N180	R174-D178 PolarHBondContact O-N 3.01Å; D175-D178 PolarHBondContact O-N 3.33Å; D178-N180 PolarHBondContact O-N 3Å
179	L	93.1	Very high	93.8	Very high	55 Å²	55	52.2 Å²	52.2	29%	0.288	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	6.2	172.6	-66.8	176.5	0	0	0	114.1	M114 L168 L171 D175 L176 T177 E181	M114-L179 HydrophobicContact CE-CD2 3.91Å; M114-L179 HydrophobicContact SD-CD1 4.48Å; M114-L179 HydrophobicContact SD-CD2 4.08Å; L168-L179 HydrophobicContact CD2-CD1 4.19Å; L171-L179 HydrophobicContact CD1-CD1 3.56Å; D175-L179 WeakPolarHBondContact O-CG 3.42Å; D175-L179 PolarHBondContact O-N 3.12Å; L176-L179 CarbonylContact O-C 3.54Å; L176-L179 PolarHBondContact O-N 3.03Å; T177-L179 PolarHBondContact O-N 3.13Å; L179-E181 PolarHBondContact O-N 2.94Å
180	N	94.7	Very high	94.1	Very high	79 Å²	79	48.1 Å²	48.1	42%	0.422	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	28.5	-174.7	-62.4	-75.6	0	0	0	113.9	L176 T177 D178 N745 V748	L176-N180 PolarHBondContact O-N 2.72Å; T177-N180 WeakPolarHBondContact O-CA 3.31Å; T177-N180 PolarHBondContact O-N 2.68Å; D178-N180 PolarHBondContact O-N 3Å; N180-N745 PolarHBondContact O-ND2 2.89Å; N180-V748 HydrophobicContact CB-CG2 4.27Å
181	E	95.3	Very high	94.5	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.033	23%	0.229	C	C	.	.			trans	-98.6	155.2	172	-69.4	-64.5	158.9	0	0	110.9	N116 R119 L168 L176 L179 P183	N116-E181 WeakPolarHBondContact CA-OE1 3.28Å; N116-E181 WeakPolarHBondContact CB-OE1 3.47Å; N116-E181 PolarHBondContact N-OE1 3.05Å; R119-E181 IonicContact CZ-OE1 3.49Å; R119-E181 IonicContact CZ-OE2 3.9Å; R119-E181 VanDerWaalsContact NH1-CD 3.34Å; R119-E181 IonicContact NH1-OE1 3.79Å; R119-E181 PolarHBondContact NH1-OE1 2.85Å; R119-E181 IonicContact NH1-OE2 2.86Å; R119-E181 PolarHBondContact NH1-OE2 2.64Å; R119-E181 IonicContact NH2-OE1 3.42Å; R119-E181 PolarHBondContact NH2-OE1 2.88Å; R119-E181 IonicContact NH2-OE2 2.72Å; R119-E181 PolarHBondContact NH2-OE2 3.29Å; L168-E181 HydrophobicContact CD1-CG 4.15Å; L168-E181 HydrophobicContact CD2-CG 4.14Å; L176-E181 WeakPolarHBondContact O-CA 3.47Å; L176-E181 PolarHBondContact O-N 2.99Å; L179-E181 PolarHBondContact O-N 2.94Å; E181-P183 WeakPolarHBondContact O-CD 3.44Å
182	C	94.5	Very high	94.7	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.214	C	C	.	.			trans	-86.4	124	178.5	172.4	0	0	0	0	109.7	R162 M184 D185 T743 T744	R162-C182 PolarHBondContact NH2-O 3.01Å; C182-M184 PolarHBondContact O-N 2.87Å; C182-M184 PolarHBondContact SG-N 2.99Å; C182-M184 VanDerWaalsContact SG-N 3.41Å; C182-D185 HydrophobicContact CB-CB 4.14Å; C182-D185 PolarHBondContact O-N 2.92Å; C182-D185 VanDerWaalsContact O-N 3.08Å; C182-T743 WeakPolarHBondContact CB-OG1 3.39Å; C182-T743 PolarHBondContact SG-OG1 3.4Å; C182-T743 VanDerWaalsContact SG-OG1 3.36Å; C182-T744 PolarHBondContact SG-OG1 3.13Å
183	P	93.9	Very high	94.7	Very high	20 Å²	20	40 Å²	40	13%	0.13	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-34.1	174.4	-28.4	37.1	0	0	0	113	R162 D173 E181 D185	R162-P183 PolarHBondContact NH1-O 3.04Å; R162-P183 PolarHBondContact NH2-O 2.89Å; D173-P183 HydrophobicContact CB-CB 4.1Å; D173-P183 HydrophobicContact CB-CG 4.25Å; E181-P183 WeakPolarHBondContact O-CD 3.44Å; P183-D185 PolarHBondContact O-N 3.45Å
184	M	92.1	Very high	94.6	Very high	33 Å²	33	36 Å²	36	16%	0.163	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.3	-179.9	-46	-60.4	-106.2	0	0	114.4	C182 P186 Y480 R774 D777 L778	C182-M184 PolarHBondContact O-N 2.87Å; C182-M184 PolarHBondContact SG-N 2.99Å; C182-M184 VanDerWaalsContact SG-N 3.41Å; M184-P186 WeakPolarHBondContact O-CD 2.89Å; M184-Y480 WeakPolarHBondContact O-CE2 3.4Å; M184-Y480 PolarHBondContact O-OH 3.11Å; M184-R774 HydrophobicContact CE-CB 3.81Å; M184-R774 VanDerWaalsContact CE-CD 3.45Å; M184-R774 HydrophobicContact CE-CG 3.8Å; M184-R774 PolarHBondContact SD-NH1 3.06Å; M184-D777 HydrophobicContact CE-CB 3.65Å; M184-D777 WeakPolarHBondContact CE-OD2 3.38Å; M184-L778 HydrophobicContact CB-CD1 4.25Å; M184-L778 HydrophobicContact CG-CD1 4.5Å
185	D	93.8	Very high	94.6	Very high	10 Å²	10	28.7 Å²	28.7	5%	0.053	16%	0.164	C	C	.	.			trans	-70.2	121.5	-177.7	-170.7	46.1	0	0	0	109.8	R162 C182 P183 G187 Y189 R477	R162-D185 PolarHBondContact NE-O 3.16Å; R162-D185 PolarHBondContact NH1-O 3.31Å; R162-D185 PolarHBondContact NH2-O 3.31Å; C182-D185 HydrophobicContact CB-CB 4.14Å; C182-D185 PolarHBondContact O-N 2.92Å; C182-D185 VanDerWaalsContact O-N 3.08Å; P183-D185 PolarHBondContact O-N 3.45Å; D185-G187 PolarHBondContact O-N 3.26Å; D185-G187 VanDerWaalsContact O-N 3.16Å; D185-Y189 WeakPolarHBondContact OD2-CE1 3.48Å; D185-Y189 PolarHBondContact OD2-OH 2.76Å; D185-R477 IonicContact OD1-CZ 3.09Å; D185-R477 IonicContact OD1-NH1 3.49Å; D185-R477 PolarHBondContact OD1-NH1 3.2Å; D185-R477 IonicContact OD1-NH2 3.06Å; D185-R477 PolarHBondContact OD1-NH2 3.07Å; D185-R477 IonicContact OD2-NH2 2.86Å
186	P	92.4	Very high	94.6	Very high	18 Å²	18	26.3 Å²	26.3	12%	0.117	15%	0.151	C	C	.	.			trans	-69.2	-18	-171.4	27.9	-38.7	0	0	0	113.7	V45 M184 L484 L487	V45-P186 HydrophobicContact CG1-CB 3.93Å; V45-P186 HydrophobicContact CG1-CG 4.46Å; V45-P186 HydrophobicContact CG2-CB 3.81Å; V45-P186 VanDerWaalsContact CG2-O 3.26Å; V45-P186 WeakPolarHBondContact CG2-O 3.09Å; M184-P186 WeakPolarHBondContact O-CD 2.89Å; P186-L484 HydrophobicContact CB-CD2 4Å; P186-L484 HydrophobicContact CG-CD2 3.83Å; P186-L487 HydrophobicContact CG-CD1 3.69Å
187	G	94.2	Very high	94.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.			trans	71.6	-156	-167.4	0	0	0	0	0	111.9	D185 Y189	D185-G187 PolarHBondContact O-N 3.26Å; D185-G187 VanDerWaalsContact O-N 3.16Å; G187-Y189 WeakPolarHBondContact O-CD1 3.38Å
188	G	95	Very high	94.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	13%	0.132	C	C	.	.			trans	83.2	17.5	178.3	0	0	0	0	0	115.3	M160 L161 L487	M160-G188 VanDerWaalsContact SD-CA 3.57Å; L161-G188 PolarHBondContact O-N 2.91Å; G188-L487 VanDerWaalsContact O-CD2 3.29Å; G188-L487 WeakPolarHBondContact O-CD2 3.31Å
189	Y	97.4	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.			trans	-137.9	165.1	177.8	63.2	-88.7	0	0	0	111.4	R119 L161 D185 G187 I191 E196 K197 L475 R477	R119-Y189 PolarHBondContact NH2-OH 3.11Å; R119-Y189 VanDerWaalsContact NH2-OH 3.1Å; L161-Y189 HydrophobicContact CD1-CD2 4.17Å; L161-Y189 HydrophobicContact CD1-CE1 4.28Å; L161-Y189 HydrophobicContact CD1-CE2 3.34Å; L161-Y189 VanDerWaalsContact CD1-OH 3.24Å; L161-Y189 WeakPolarHBondContact CD1-OH 3.44Å; L161-Y189 HydrophobicContact CG-CE2 4.24Å; L161-Y189 PolarHBondContact N-O 3.35Å; D185-Y189 WeakPolarHBondContact OD2-CE1 3.48Å; D185-Y189 PolarHBondContact OD2-OH 2.76Å; G187-Y189 WeakPolarHBondContact O-CD1 3.38Å; Y189-I191 HydrophobicContact CE2-CG1 4.28Å; Y189-E196 HydrophobicContact CD2-CB 3.85Å; Y189-E196 HydrophobicContact CD2-CG 3.95Å; Y189-E196 HydrophobicContact CE2-CB 4.08Å; Y189-E196 HydrophobicContact CE2-CG 3.66Å; Y189-K197 WeakPolarHBondContact CB-O 3.11Å; Y189-L475 HydrophobicContact CD1-CD2 3.88Å; Y189-L475 HydrophobicContact CD2-CD2 4.39Å; Y189-L475 HydrophobicContact CE1-CD2 4.2Å; Y189-L475 HydrophobicContact CG-CD2 4.01Å; Y189-R477 PolarHBondContact OH-NH2 3.17Å
190	F	97.8	Very high	95	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146	-179.4	-60.2	-86.9	0	0	0	111.2	F52 P158 M160 I192 E196 K197 L199 L405	F52-F190 HydrophobicContact CD2-CE1 4.02Å; F52-F190 AromaticContact CD2-CZ 3.77Å; F52-F190 HydrophobicContact CD2-CZ 3.77Å; F52-F190 AromaticContact CE2-CE1 3.62Å; F52-F190 HydrophobicContact CE2-CE1 3.62Å; F52-F190 AromaticContact CE2-CZ 3.84Å; F52-F190 HydrophobicContact CE2-CZ 3.84Å; F52-F190 HydrophobicContact CZ-CE1 4.2Å; P158-F190 HydrophobicContact CB-CD1 4.09Å; P158-F190 WeakPolarHBondContact O-CE1 3.01Å; M160-F190 HydrophobicContact CB-CD1 4.27Å; M160-F190 HydrophobicContact CB-CE1 3.74Å; M160-F190 HydrophobicContact CB-CZ 3.92Å; M160-F190 HydrophobicContact CE-CE2 3.56Å; M160-F190 HydrophobicContact CE-CZ 3.55Å; M160-F190 HydrophobicContact CG-CZ 4.42Å; F190-I192 HydrophobicContact CB-CD1 4.23Å; F190-I192 HydrophobicContact CB-CG1 4.15Å; F190-E196 CarbonylContact O-C 3.52Å; F190-E196 WeakPolarHBondContact O-CA 3.38Å; F190-K197 HydrophobicContact CB-CB 4.45Å; F190-K197 PolarHBondContact N-O 3.11Å; F190-K197 PolarHBondContact O-N 3.09Å; F190-L199 HydrophobicContact CD2-CG 4.37Å; F190-L199 HydrophobicContact CE2-CD1 3.73Å; F190-L199 HydrophobicContact CE2-CG 3.95Å; F190-L199 HydrophobicContact CZ-CD1 4.42Å; F190-L405 HydrophobicContact CZ-CD1 3.93Å
191	I	97.3	Very high	95	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.8	169.3	-61	164.1	0	0	0	108.8	P115 A118 R119 Y125 L161 Y189 E196	P115-I191 HydrophobicContact CB-CD1 3.83Å; P115-I191 WeakPolarHBondContact O-CD1 3.42Å; A118-I191 HydrophobicContact CB-CG2 4.1Å; R119-I191 HydrophobicContact CG-CD1 3.67Å; R119-I191 HydrophobicContact CG-CG1 4.13Å; R119-I191 HydrophobicContact CG-CG2 4.14Å; Y125-I191 PolarHBondContact N-O 3.13Å; L161-I191 HydrophobicContact CD1-CD1 3.61Å; L161-I191 HydrophobicContact CD1-CG1 4.03Å; L161-I191 HydrophobicContact CD2-CD1 4.13Å; L161-I191 HydrophobicContact CG-CD1 4.24Å; Y189-I191 HydrophobicContact CE2-CG1 4.28Å; I191-E196 HydrophobicContact CG1-CG 4.41Å
192	I	95.8	Very high	94.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	120.6	-177	-52.9	-175.3	0	0	0	109.4	T124 F190 G194 S195 K197 Q450 L453 A454	T124-I192 HydrophobicContact CG2-CB 4.47Å; T124-I192 HydrophobicContact CG2-CG1 4.31Å; T124-I192 HydrophobicContact CG2-CG2 4.23Å; F190-I192 HydrophobicContact CB-CD1 4.23Å; F190-I192 HydrophobicContact CB-CG1 4.15Å; I192-G194 PolarHBondContact O-N 3.48Å; I192-S195 PolarHBondContact N-O 2.97Å; I192-S195 PolarHBondContact O-N 2.65Å; I192-S195 PolarHBondContact O-OG 3.31Å; I192-K197 HydrophobicContact CB-CG 4.3Å; I192-K197 HydrophobicContact CD1-CB 4.48Å; I192-K197 HydrophobicContact CD1-CG 4.32Å; I192-K197 HydrophobicContact CG1-CG 4.4Å; I192-Q450 HydrophobicContact CG2-CG 3.77Å; I192-L453 HydrophobicContact CD1-CB 3.07Å; I192-L453 HydrophobicContact CD1-CD1 3.58Å; I192-L453 HydrophobicContact CD1-CG 3.93Å; I192-A454 HydrophobicContact CG2-CB 4.05Å
193	N	93.7	Very high	94.8	Very high	69 Å²	69	12.7 Å²	12.7	37%	0.369	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	40.2	-173.9	-59.1	-21.6	0	0	0	112.3	N122 L123 T124 S195 Q450	N122-N193 CarbonylContact O-C 3.54Å; N122-N193 VanDerWaalsContact O-CA 3.3Å; N122-N193 WeakPolarHBondContact O-CA 3.23Å; L123-N193 PolarHBondContact O-N 2.95Å; T124-N193 PolarHBondContact OG1-N 3.12Å; T124-N193 VanDerWaalsContact OG1-N 3.13Å; T124-N193 PolarHBondContact OG1-OD1 2.87Å; T124-N193 VanDerWaalsContact OG1-OD1 3.1Å; N193-S195 PolarHBondContact O-N 2.85Å; N193-S195 VanDerWaalsContact O-N 3.15Å; N193-Q450 PolarHBondContact OD1-NE2 2.72Å
194	G	92.2	Very high	94.7	Very high	16 Å²	16	15.1 Å²	15.1	17%	0.165	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	-7.6	-173.8	0	0	0	0	0	116.4	L123 I192	L123-G194 PolarHBondContact O-N 3.04Å; I192-G194 PolarHBondContact O-N 3.48Å
195	S	94.1	Very high	94.7	Very high	38 Å²	38	15.3 Å²	15.3	27%	0.266	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.5	177.9	68.5	0	0	0	0	111.5	I192 N193 K197	I192-S195 PolarHBondContact N-O 2.97Å; I192-S195 PolarHBondContact O-N 2.65Å; I192-S195 PolarHBondContact O-OG 3.31Å; N193-S195 PolarHBondContact O-N 2.85Å; N193-S195 VanDerWaalsContact O-N 3.15Å; S195-K197 VanDerWaalsContact OG-CE 3.23Å; S195-K197 WeakPolarHBondContact OG-CE 3.31Å
196	E	96.1	Very high	94.7	Very high	13 Å²	13	14.8 Å²	14.8	6%	0.061	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.9	177.6	-63.3	173.1	156.3	0	0	110.2	R119 Y189 F190 I191 V474 L475 R477 R749	R119-E196 IonicContact CZ-OE1 3.71Å; R119-E196 IonicContact NE-OE1 2.75Å; R119-E196 PolarHBondContact NE-OE1 3.03Å; R119-E196 VanDerWaalsContact NE-OE1 3.13Å; Y189-E196 HydrophobicContact CD2-CB 3.85Å; Y189-E196 HydrophobicContact CD2-CG 3.95Å; Y189-E196 HydrophobicContact CE2-CB 4.08Å; Y189-E196 HydrophobicContact CE2-CG 3.66Å; F190-E196 CarbonylContact O-C 3.52Å; F190-E196 WeakPolarHBondContact O-CA 3.38Å; I191-E196 HydrophobicContact CG1-CG 4.41Å; E196-V474 CarbonylContact O-C 3.55Å; E196-V474 VanDerWaalsContact O-CA 3.32Å; E196-V474 WeakPolarHBondContact O-CA 3.46Å; E196-L475 HydrophobicContact CB-CB 3.98Å; E196-L475 HydrophobicContact CB-CD2 4.49Å; E196-L475 PolarHBondContact O-N 2.94Å; E196-R477 VanDerWaalsContact CD-NE 3.33Å; E196-R477 VanDerWaalsContact CD-NH2 3.35Å; E196-R477 IonicContact OE1-CZ 2.71Å; E196-R477 IonicContact OE1-NE 3.68Å; E196-R477 PolarHBondContact OE1-NE 3.07Å; E196-R477 IonicContact OE1-NH2 3.46Å; E196-R477 PolarHBondContact OE1-NH2 3.36Å; E196-R477 WeakPolarHBondContact OE2-CD 3.31Å; E196-R477 IonicContact OE2-CZ 3.08Å; E196-R477 IonicContact OE2-NE 3.87Å; E196-R477 PolarHBondContact OE2-NE 3.26Å; E196-R477 IonicContact OE2-NH2 2.64Å; E196-R477 PolarHBondContact OE2-NH2 3.03Å; E196-R749 VanDerWaalsContact CD-NH2 3.32Å; E196-R749 IonicContact OE1-CZ 2.76Å; E196-R749 IonicContact OE1-NH1 2.73Å; E196-R749 PolarHBondContact OE1-NH1 2.89Å; E196-R749 IonicContact OE1-NH2 3.7Å; E196-R749 PolarHBondContact OE1-NH2 3.25Å; E196-R749 IonicContact OE2-NH2 2.73Å; E196-R749 PolarHBondContact OE2-NH2 3.2Å
197	K	96.7	Very high	94.7	Very high	22 Å²	22	15.2 Å²	15.2	10%	0.096	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.3	-173.1	-64.3	-64.6	-176	165.1	0	110.1	Y189 F190 I192 S195 A454 Q473 V474	Y189-K197 WeakPolarHBondContact CB-O 3.11Å; F190-K197 HydrophobicContact CB-CB 4.45Å; F190-K197 PolarHBondContact N-O 3.11Å; F190-K197 PolarHBondContact O-N 3.09Å; I192-K197 HydrophobicContact CB-CG 4.3Å; I192-K197 HydrophobicContact CD1-CB 4.48Å; I192-K197 HydrophobicContact CD1-CG 4.32Å; I192-K197 HydrophobicContact CG1-CG 4.4Å; S195-K197 VanDerWaalsContact OG-CE 3.23Å; S195-K197 WeakPolarHBondContact OG-CE 3.31Å; K197-A454 WeakPolarHBondContact CE-O 3.44Å; K197-A454 PolarHBondContact NZ-O 3.31Å; K197-Q473 CarbonylContact C-O 3.59Å; K197-Q473 WeakPolarHBondContact CA-O 3.47Å; K197-V474 HydrophobicContact CD-CG2 4.2Å
198	V	96.4	Very high	94.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.8	174.2	60.1	0	0	0	0	109.8	I200 S472 Q473 L475 L487	V198-I200 HydrophobicContact CG1-CD1 4.01Å; V198-I200 HydrophobicContact CG2-CD1 4.34Å; V198-S472 WeakPolarHBondContact O-CA 3.31Å; V198-S472 PolarHBondContact O-OG 2.84Å; V198-Q473 HydrophobicContact CG1-CB 4.37Å; V198-Q473 PolarHBondContact N-O 2.86Å; V198-Q473 PolarHBondContact O-N 2.79Å; V198-L475 HydrophobicContact CB-CD1 4.43Å; V198-L475 HydrophobicContact CG1-CD1 4.48Å; V198-L487 HydrophobicContact CB-CD2 4.39Å; V198-L487 HydrophobicContact CG2-CD2 3.7Å
199	L	95.9	Very high	94.6	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.7	170.9	-62.3	-175.5	0	0	0	109.7	Q48 F190 A401 L405 L453 W458	Q48-L199 PolarHBondContact NE2-O 3.43Å; Q48-L199 VanDerWaalsContact NE2-O 3.08Å; F190-L199 HydrophobicContact CD2-CG 4.37Å; F190-L199 HydrophobicContact CE2-CD1 3.73Å; F190-L199 HydrophobicContact CE2-CG 3.95Å; F190-L199 HydrophobicContact CZ-CD1 4.42Å; L199-A401 HydrophobicContact CB-CB 4.48Å; L199-A401 HydrophobicContact CD1-CB 3.92Å; L199-L405 HydrophobicContact CD1-CD1 4.47Å; L199-L405 HydrophobicContact CD1-CG 4.25Å; L199-L453 HydrophobicContact CD1-CD2 4.06Å; L199-L453 HydrophobicContact CD2-CD2 3.65Å; L199-L453 HydrophobicContact CG-CD2 4.26Å; L199-W458 HydrophobicContact CD1-CH2 3.79Å; L199-W458 HydrophobicContact CD1-CZ2 4.4Å; L199-W458 HydrophobicContact CD2-CH2 3.4Å; L199-W458 HydrophobicContact CD2-CZ3 3.57Å; L199-W458 HydrophobicContact CG-CH2 4.24Å
200	I	95.2	Very high	94.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-86.5	129	179	-52.7	-55.8	0	0	0	108.5	V198 Q202 V471 Q473 R489 N491	V198-I200 HydrophobicContact CG1-CD1 4.01Å; V198-I200 HydrophobicContact CG2-CD1 4.34Å; I200-Q202 PolarHBondContact O-N 3.09Å; I200-Q202 PolarHBondContact O-NE2 3.25Å; I200-V471 PolarHBondContact N-O 2.74Å; I200-Q473 HydrophobicContact CG1-CG 4.13Å; I200-R489 HydrophobicContact CD1-CB 4.24Å; I200-R489 HydrophobicContact CG2-CB 4.42Å; I200-R489 HydrophobicContact CG2-CG 4.09Å; I200-R489 WeakPolarHBondContact CG2-O 3.34Å; I200-N491 HydrophobicContact CG2-CB 3.81Å
201	A	95.1	Very high	94.3	Very high	4 Å²	4	16.5 Å²	16.5	3%	0.033	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	133.3	177.2	0	0	0	0	0	110.5	L398 D399 L400 R489 L490 N491	A201-L398 HydrophobicContact CB-CD2 4.47Å; A201-D399 WeakPolarHBondContact CA-O 3.4Å; A201-L400 HydrophobicContact CB-CD2 3.62Å; A201-R489 PolarHBondContact N-O 3.03Å; A201-L490 HydrophobicContact CB-CB 3.88Å; A201-L490 CarbonylContact O-C 3.59Å; A201-L490 WeakPolarHBondContact O-CA 3.29Å; A201-N491 PolarHBondContact O-N 3.31Å
202	Q	93.6	Very high	94.3	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.023	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.4	179.8	-58.4	-59.5	-53.9	0	0	110.5	I200 D399 L404 V471 N491	I200-Q202 PolarHBondContact O-N 3.09Å; I200-Q202 PolarHBondContact O-NE2 3.25Å; Q202-D399 HydrophobicContact CB-CB 4.33Å; Q202-D399 PolarHBondContact N-O 3.37Å; Q202-D399 PolarHBondContact O-N 2.98Å; Q202-L404 HydrophobicContact CG-CD1 4.37Å; Q202-L404 HydrophobicContact CG-CD2 4.29Å; Q202-V471 HydrophobicContact CG-CG1 4.41Å; Q202-V471 HydrophobicContact CG-CG2 4.28Å; Q202-N491 PolarHBondContact OE1-ND2 3.24Å
203	E	93.1	Very high	94.2	Very high	13 Å²	13	17.1 Å²	17.1	6%	0.061	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.5	174.4	-171.7	-174.8	135.8	0	0	109.7	Y393 K396 L398 N491 S492 P493 K529	E203-Y393 HydrophobicContact CG-CE2 4.39Å; E203-K396 HydrophobicContact CG-CB 4.27Å; E203-K396 HydrophobicContact CG-CD 4.08Å; E203-K396 HydrophobicContact CG-CG 4.43Å; E203-K396 WeakPolarHBondContact OE1-CD 3.32Å; E203-K396 WeakPolarHBondContact OE1-CE 3.41Å; E203-K396 IonicContact OE1-NZ 3.38Å; E203-K396 PolarHBondContact OE1-NZ 3.31Å; E203-L398 HydrophobicContact CB-CD2 4.2Å; E203-N491 PolarHBondContact N-O 2.64Å; E203-S492 PolarHBondContact OE2-OG 3.49Å; E203-P493 WeakPolarHBondContact O-CD 3.36Å; E203-P493 WeakPolarHBondContact O-CG 3.21Å; E203-K529 IonicContact OE1-NZ 3.85Å; E203-K529 IonicContact OE2-NZ 3.19Å; E203-K529 PolarHBondContact OE2-NZ 2.97Å
204	K	90.6	Very high	94.1	Very high	72 Å²	72	16.6 Å²	16.6	31%	0.313	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	160.8	170.1	66.2	173.2	-179.1	-160	0	110	K396 R397 D399	K204-K396 CarbonylContact O-C 3.42Å; K204-K396 WeakPolarHBondContact O-CA 3.48Å; K204-K396 WeakPolarHBondContact O-CB 3.45Å; K204-R397 HydrophobicContact CG-CB 4.14Å; K204-R397 PolarHBondContact N-O 3.02Å; K204-R397 PolarHBondContact O-N 3.3Å; K204-D399 WeakPolarHBondContact CD-OD2 3.45Å; K204-D399 WeakPolarHBondContact CE-OD1 3.42Å; K204-D399 IonicContact NZ-OD1 2.72Å; K204-D399 PolarHBondContact NZ-OD1 2.84Å; K204-D399 IonicContact NZ-OD2 2.83Å
205	M	92	Very high	93.7	Very high	36 Å²	36	18.4 Å²	18.4	18%	0.177	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.4	167.8	-155.9	155.9	94.7	0	0	109	Y211 F213	M205-Y211 HydrophobicContact CE-CD2 3.53Å; M205-Y211 HydrophobicContact CE-CE2 3.85Å; M205-Y211 HydrophobicContact CE-CG 4.36Å; M205-Y211 HydrophobicContact CG-CD2 4.49Å; M205-Y211 HydrophobicContact CG-CE2 3.92Å; M205-Y211 HydrophobicContact SD-CD2 4.38Å; M205-Y211 HydrophobicContact SD-CE2 4.39Å; M205-F213 HydrophobicContact CE-CE2 4.39Å; M205-F213 HydrophobicContact SD-CZ 4.49Å
206	A	93.2	Very high	93	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-61.6	149	179.3	0	0	0	0	0	110.6	Y211 N395 R397	A206-Y211 WeakPolarHBondContact CB-OH 3.41Å; A206-N395 WeakPolarHBondContact CB-O 3.21Å; A206-N395 PolarHBondContact N-O 3.41Å; A206-R397 HydrophobicContact CB-CG 3.81Å
207	T	92.7	Very high	91.7	Very high	26 Å²	26	33.3 Å²	33.3	16%	0.16	17%	0.171	C	C	.	.	S	Bend	trans	-92.4	166.4	178.3	45.4	0	0	0	0	110.4	T209 R227 C229 T237	T207-T209 PolarHBondContact O-N 2.96Å; T207-T209 PolarHBondContact O-OG1 2.91Å; T207-R227 CarbonylContact C-O 3.59Å; T207-R227 WeakPolarHBondContact CA-O 3.44Å; T207-R227 WeakPolarHBondContact CB-O 3.17Å; T207-C229 HydrophobicContact CG2-CB 3.92Å; T207-T237 HydrophobicContact CG2-CG2 4.25Å
208	N	94	Very high	90.7	Very high	7 Å²	7	34 Å²	34	4%	0.037	19%	0.185	C	C	.	.	S	Bend	trans	59.3	17.7	174.6	-55.6	-20.2	0	0	0	114.9	R227 S228 C229 H355 Y369 N575 G576	N208-R227 PolarHBondContact N-O 3.27Å; N208-S228 VanDerWaalsContact OD1-CA 3.3Å; N208-S228 WeakPolarHBondContact OD1-CA 3.32Å; N208-C229 PolarHBondContact ND2-O 2.85Å; N208-C229 PolarHBondContact OD1-N 2.88Å; N208-C229 PolarHBondContact OD1-O 3.19Å; N208-C229 VanDerWaalsContact OD1-O 3.14Å; N208-H355 VanDerWaalsContact OD1-CB 3.32Å; N208-H355 WeakPolarHBondContact OD1-CB 2.86Å; N208-Y369 PolarHBondContact O-OH 3.34Å; N208-N575 WeakPolarHBondContact CB-O 3.49Å; N208-N575 PolarHBondContact ND2-O 3.27Å; N208-G576 VanDerWaalsContact O-CA 3.24Å; N208-G576 WeakPolarHBondContact O-CA 3.48Å
209	T	93.2	Very high	90.2	Very high	15 Å²	15	39.6 Å²	39.6	9%	0.092	21%	0.209	C	C	.	.			trans	-115.6	142.6	177.5	-54.4	0	0	0	0	110	T207 Y211	T207-T209 PolarHBondContact O-N 2.96Å; T207-T209 PolarHBondContact O-OG1 2.91Å; T209-Y211 HydrophobicContact CG2-CD1 4.39Å; T209-Y211 HydrophobicContact CG2-CE1 3.72Å; T209-Y211 HydrophobicContact CG2-CE2 4.24Å
210	V	94.6	Very high	89.8	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.4	177.3	-175.8	0	0	0	0	109	A224 C226 Y369 Y372 M373 R376	V210-A224 HydrophobicContact CG1-CB 4.49Å; V210-C226 HydrophobicContact CG2-CB 4.41Å; V210-Y369 HydrophobicContact CG2-CE1 4.1Å; V210-Y369 WeakPolarHBondContact CG2-OH 3.43Å; V210-Y372 HydrophobicContact CG2-CD1 4.28Å; V210-Y372 HydrophobicContact CG2-CE1 4.16Å; V210-M373 HydrophobicContact CB-CG 4.5Å; V210-M373 HydrophobicContact CG1-CB 4.39Å; V210-M373 HydrophobicContact CG1-CG 4.02Å; V210-M373 HydrophobicContact CG2-CG 3.61Å; V210-R376 HydrophobicContact CG1-CB 4.47Å
211	Y	95.3	Very high	89.6	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.8	176.6	-59.6	-68.3	0	0	0	111.7	M205 A206 T209 F213 A224 E225 D388 N395	M205-Y211 HydrophobicContact CE-CD2 3.53Å; M205-Y211 HydrophobicContact CE-CE2 3.85Å; M205-Y211 HydrophobicContact CE-CG 4.36Å; M205-Y211 HydrophobicContact CG-CD2 4.49Å; M205-Y211 HydrophobicContact CG-CE2 3.92Å; M205-Y211 HydrophobicContact SD-CD2 4.38Å; M205-Y211 HydrophobicContact SD-CE2 4.39Å; A206-Y211 WeakPolarHBondContact CB-OH 3.41Å; T209-Y211 HydrophobicContact CG2-CD1 4.39Å; T209-Y211 HydrophobicContact CG2-CE1 3.72Å; T209-Y211 HydrophobicContact CG2-CE2 4.24Å; Y211-F213 VanDerWaalsContact CB-CZ 3.42Å; Y211-F213 HydrophobicContact CD1-CZ 4.46Å; Y211-F213 HydrophobicContact CG-CE2 4.42Å; Y211-F213 AromaticContact CG-CZ 3.97Å; Y211-F213 HydrophobicContact CG-CZ 3.97Å; Y211-A224 CarbonylContact O-C 3.4Å; Y211-A224 WeakPolarHBondContact O-CA 3.4Å; Y211-E225 PolarHBondContact N-O 3.25Å; Y211-E225 PolarHBondContact O-N 2.85Å; Y211-D388 VanDerWaalsContact CA-OD2 3.3Å; Y211-D388 WeakPolarHBondContact CA-OD2 3.14Å; Y211-D388 HydrophobicContact CD1-CB 4.14Å; Y211-N395 HydrophobicContact CE1-CB 3.7Å; Y211-N395 VanDerWaalsContact CE1-CG 3.42Å; Y211-N395 WeakPolarHBondContact CE1-OD1 3.31Å; Y211-N395 PolarHBondContact OH-O 3.13Å
212	V	96	Very high	89.4	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.9	176.2	-170.1	0	0	0	0	110.3	K223 A224 R376 A380 L387 D388	V212-K223 WeakPolarHBondContact CA-O 3.47Å; V212-A224 HydrophobicContact CG2-CB 4.15Å; V212-R376 HydrophobicContact CG2-CB 4.14Å; V212-A380 HydrophobicContact CB-CB 4.24Å; V212-A380 HydrophobicContact CG1-CB 3.61Å; V212-L387 HydrophobicContact CG1-CD2 4.38Å; V212-D388 PolarHBondContact N-OD2 3.41Å; V212-D388 PolarHBondContact O-N 2.75Å; V212-D388 VanDerWaalsContact O-N 3.1Å
213	F	94.1	Very high	89.4	Confident	11 Å²	11	45.8 Å²	45.8	5%	0.048	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.4	178.5	-53.5	-58.7	0	0	0	111.4	M205 Y211 K223 D388 R390	M205-F213 HydrophobicContact CE-CE2 4.39Å; M205-F213 HydrophobicContact SD-CZ 4.49Å; Y211-F213 VanDerWaalsContact CB-CZ 3.42Å; Y211-F213 HydrophobicContact CD1-CZ 4.46Å; Y211-F213 HydrophobicContact CG-CE2 4.42Å; Y211-F213 AromaticContact CG-CZ 3.97Å; Y211-F213 HydrophobicContact CG-CZ 3.97Å; F213-K223 PolarHBondContact N-O 3.32Å; F213-K223 PolarHBondContact O-N 2.87Å; F213-D388 WeakPolarHBondContact CD1-O 3.26Å; F213-D388 HydrophobicContact CE1-CB 4.19Å; F213-D388 VanDerWaalsContact CE1-O 3.3Å; F213-D388 WeakPolarHBondContact CE1-O 3.27Å; F213-R390 HydrophobicContact CD1-CG 3.71Å; F213-R390 HydrophobicContact CE1-CB 4.36Å; F213-R390 HydrophobicContact CE1-CG 3.2Å; F213-R390 HydrophobicContact CE2-CG 4.29Å; F213-R390 HydrophobicContact CG-CG 4.45Å; F213-R390 HydrophobicContact CZ-CG 3.53Å
214	S	91.1	Very high	89.5	Confident	58 Å²	58	45.1 Å²	45.1	41%	0.406	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	144.6	161.7	61.5	0	0	0	0	110.4	L387	S214-L387 WeakPolarHBondContact OG-CD1 3.26Å
215	V	84.7	Confident	89.7	Confident	55 Å²	55	42.3 Å²	42.3	33%	0.333	22%	0.223	S	C	.	.			trans	-114.5	117.1	175.1	-178.4	0	0	0	0	107.9	A221 K223	V215-A221 PolarHBondContact N-O 2.85Å; V215-K223 HydrophobicContact CG2-CB 4.29Å
216	K	79.1	Confident	89.8	Confident	188 Å²	188	40.6 Å²	40.6	82%	0.817	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	135.8	170.1	-65.1	-169.5	178.2	-170.7	0	109	G218	K216-G218 PolarHBondContact O-N 3.36Å
217	D	70.2	Confident	89.9	Confident	175 Å²	175	44.5 Å²	44.5	94%	0.936	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	39.4	172.4	-50.8	-37.9	0	0	0	115.8
218	G	75.4	Confident	89.8	Confident	37 Å²	37	43.3 Å²	43.3	38%	0.381	22%	0.222	S	C	.	.	S	Bend	trans	-117.7	168.4	180	0	0	0	0	0	115.1	K216 Y220	K216-G218 PolarHBondContact O-N 3.36Å; G218-Y220 PolarHBondContact O-N 3.35Å
219	K	85.9	Confident	89.4	Confident	117 Å²	117	44.5 Å²	44.5	51%	0.509	23%	0.23	S	C	.	.	S	Bend	trans	-59.8	-25.5	167.8	-164.5	-165.6	-172.8	-154.1	0	112.1	F245 A246 E271	K219-F245 HydrophobicContact CD-CD1 4.5Å; K219-F245 HydrophobicContact CD-CE1 3.66Å; K219-F245 HydrophobicContact CG-CD1 4.1Å; K219-F245 HydrophobicContact CG-CE1 3.74Å; K219-F245 WeakPolarHBondContact O-CD1 3.32Å; K219-A246 PolarHBondContact O-N 3.24Å; K219-E271 IonicContact NZ-OE1 3.77Å; K219-E271 PolarHBondContact NZ-OE1 3.03Å; K219-E271 IonicContact NZ-OE2 3.73Å; K219-E271 PolarHBondContact NZ-OE2 3.06Å
220	Y	87.8	Confident	89	Confident	41 Å²	41	46.6 Å²	46.6	16%	0.161	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.8	-176.2	-40.1	-62.2	0	0	0	110	G218 N243 M244 F245 I262 E271	G218-Y220 PolarHBondContact O-N 3.35Å; Y220-N243 HydrophobicContact CD1-CB 3.69Å; Y220-N243 HydrophobicContact CD2-CB 4.22Å; Y220-N243 HydrophobicContact CE1-CB 4.11Å; Y220-N243 HydrophobicContact CG-CB 3.75Å; Y220-M244 CarbonylContact C-O 3.45Å; Y220-M244 VanDerWaalsContact CA-O 3.24Å; Y220-M244 WeakPolarHBondContact CA-O 3.42Å; Y220-M244 WeakPolarHBondContact CB-O 3.18Å; Y220-F245 HydrophobicContact CD1-CD1 4.1Å; Y220-F245 HydrophobicContact CD1-CE1 4Å; Y220-F245 HydrophobicContact CE1-CD1 4.34Å; Y220-F245 AromaticContact CE1-CE1 3.77Å; Y220-F245 HydrophobicContact CE1-CE1 3.77Å; Y220-F245 HydrophobicContact CE1-CZ 4.2Å; Y220-I262 HydrophobicContact CD1-CD1 4.32Å; Y220-I262 HydrophobicContact CE1-CD1 3.59Å; Y220-E271 PolarHBondContact OH-OE1 2.99Å
221	A	89.1	Confident	87.9	Confident	26 Å²	26	49.2 Å²	49.2	22%	0.215	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-49.5	173	0	0	0	0	0	110.9	V215 M244 A246	V215-A221 PolarHBondContact N-O 2.85Å; A221-M244 PolarHBondContact N-O 3.33Å; A221-A246 HydrophobicContact CB-CB 4.22Å
222	Y	92.6	Very high	86.6	Confident	58 Å²	58	53.1 Å²	53.1	23%	0.227	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146	-179.2	-59.4	-75	0	0	0	110.5	N243 M244 A381 L387	Y222-N243 WeakPolarHBondContact O-CA 3.31Å; Y222-M244 HydrophobicContact CD2-SD 3.98Å; Y222-M244 PolarHBondContact O-N 2.92Å; Y222-A381 HydrophobicContact CD2-CB 3.82Å; Y222-A381 HydrophobicContact CE2-CB 3.82Å; Y222-L387 HydrophobicContact CD1-CD2 4.04Å; Y222-L387 HydrophobicContact CE1-CD2 4.03Å
223	K	92.7	Very high	85.4	Confident	17 Å²	17	53.9 Å²	53.9	7%	0.074	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.1	178.5	165.6	174	176.2	-153.3	0	109	V212 F213 V215 E225 W241 N243	V212-K223 WeakPolarHBondContact CA-O 3.47Å; F213-K223 PolarHBondContact N-O 3.32Å; F213-K223 PolarHBondContact O-N 2.87Å; V215-K223 HydrophobicContact CG2-CB 4.29Å; K223-E225 IonicContact NZ-OE2 2.95Å; K223-E225 PolarHBondContact NZ-OE2 2.84Å; K223-W241 HydrophobicContact CD-CD2 4.22Å; K223-W241 HydrophobicContact CD-CE3 3.64Å; K223-W241 HydrophobicContact CD-CZ3 3.84Å; K223-W241 VanDerWaalsContact NZ-CD2 3.26Å; K223-N243 WeakPolarHBondContact CB-OD1 3.47Å; K223-N243 WeakPolarHBondContact CG-OD1 3.08Å
224	A	95.4	Very high	84.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131	164.5	0	0	0	0	0	109.8	V210 Y211 V212 W241 V242 L377	V210-A224 HydrophobicContact CG1-CB 4.49Å; Y211-A224 CarbonylContact O-C 3.4Å; Y211-A224 WeakPolarHBondContact O-CA 3.4Å; V212-A224 HydrophobicContact CG2-CB 4.15Å; A224-W241 CarbonylContact O-C 3.29Å; A224-W241 VanDerWaalsContact O-CA 3.31Å; A224-W241 WeakPolarHBondContact O-CA 3.48Å; A224-V242 HydrophobicContact CB-CB 4.23Å; A224-V242 PolarHBondContact N-O 2.69Å; A224-V242 PolarHBondContact O-N 3.46Å; A224-L377 HydrophobicContact CB-CB 4.24Å; A224-L377 HydrophobicContact CB-CD1 3.93Å
225	E	94.7	Very high	83	Confident	13 Å²	13	54.3 Å²	54.3	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.8	179.5	-176.8	173.2	157.8	0	0	109.4	Y211 K223 R227 T239	Y211-E225 PolarHBondContact N-O 3.25Å; Y211-E225 PolarHBondContact O-N 2.85Å; K223-E225 IonicContact NZ-OE2 2.95Å; K223-E225 PolarHBondContact NZ-OE2 2.84Å; E225-R227 IonicContact OE1-CZ 3.79Å; E225-R227 IonicContact OE1-NE 3.91Å; E225-R227 PolarHBondContact OE1-NE 2.99Å; E225-R227 IonicContact OE1-NH2 3.96Å; E225-R227 PolarHBondContact OE1-NH2 3.37Å; E225-T239 HydrophobicContact CG-CG2 3.79Å
226	C	95.1	Very high	82.6	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.3	167.3	179.6	0	0	0	0	109.3	V210 T239 V240 M373	V210-C226 HydrophobicContact CG2-CB 4.41Å; C226-T239 WeakPolarHBondContact O-CA 3.33Å; C226-V240 PolarHBondContact N-O 3.15Å; C226-V240 PolarHBondContact O-N 3.12Å; C226-M373 HydrophobicContact CB-CE 3.46Å; C226-M373 VanDerWaalsContact CB-CE 3.46Å; C226-M373 HydrophobicContact CB-SD 3.81Å
227	R	93.4	Very high	82.8	Confident	82 Å²	82	49.5 Å²	49.5	31%	0.309	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	97.5	175.1	-73.3	-178.7	-172.1	-180	9	108.9	T207 N208 E225 T237 T239	T207-R227 CarbonylContact C-O 3.59Å; T207-R227 WeakPolarHBondContact CA-O 3.44Å; T207-R227 WeakPolarHBondContact CB-O 3.17Å; N208-R227 PolarHBondContact N-O 3.27Å; E225-R227 IonicContact OE1-CZ 3.79Å; E225-R227 IonicContact OE1-NE 3.91Å; E225-R227 PolarHBondContact OE1-NE 2.99Å; E225-R227 IonicContact OE1-NH2 3.96Å; E225-R227 PolarHBondContact OE1-NH2 3.37Å; R227-T237 HydrophobicContact CB-CG2 3.85Å; R227-T237 HydrophobicContact CG-CG2 4.49Å; R227-T239 HydrophobicContact CG-CG2 3.74Å
228	S	91	Very high	83.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.4	-177.5	-55.1	0	0	0	0	111.4	N208 T237 S238 P354 H355	N208-S228 VanDerWaalsContact OD1-CA 3.3Å; N208-S228 WeakPolarHBondContact OD1-CA 3.32Å; S228-T237 WeakPolarHBondContact O-CA 3.05Å; S228-S238 PolarHBondContact N-O 3.37Å; S228-S238 PolarHBondContact O-N 2.94Å; S228-S238 PolarHBondContact O-OG 2.88Å; S228-P354 VanDerWaalsContact CB-CD 3.47Å; S228-H355 VanDerWaalsContact CB-ND1 3.28Å; S228-H355 WeakPolarHBondContact CB-ND1 3.17Å; S228-H355 PolarHBondContact OG-CE1 3.14Å; S228-H355 PolarHBondContact OG-ND1 2.88Å
229	C	87	Confident	84.5	Confident	32 Å²	32	41.8 Å²	41.8	22%	0.216	21%	0.211	C	C	.	.			trans	-134.5	125	170.9	-166.3	0	0	0	0	107.5	T207 N208	T207-C229 HydrophobicContact CG2-CB 3.92Å; N208-C229 PolarHBondContact ND2-O 2.85Å; N208-C229 PolarHBondContact OD1-N 2.88Å; N208-C229 PolarHBondContact OD1-O 3.19Å; N208-C229 VanDerWaalsContact OD1-O 3.14Å
230	L	83	Confident	84.9	Confident	59 Å²	59	36.2 Å²	36.2	31%	0.309	19%	0.187	S	C	.	.			trans	-74.3	128.9	169.3	-177.2	66.1	0	0	0	108	S233 I358	L230-S233 PolarHBondContact O-N 2.92Å; L230-I358 HydrophobicContact CD2-CD1 3.5Å; L230-I358 VanDerWaalsContact CD2-CD1 3.5Å; L230-I358 HydrophobicContact CD2-CG1 4.45Å
231	E	71.9	Confident	85.3	Confident	59 Å²	59	38.6 Å²	38.6	28%	0.276	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	139	178	-68.2	176.4	170.6	0	0	109.8	S233 N575	E231-S233 PolarHBondContact O-N 3.46Å; E231-N575 VanDerWaalsContact OE1-CB 3.25Å; E231-N575 WeakPolarHBondContact OE1-CB 3.34Å; E231-N575 PolarHBondContact OE1-ND2 2.92Å; E231-N575 PolarHBondContact OE2-ND2 3.44Å
232	H	67.7	Low	85.6	Confident	86 Å²	86	37.3 Å²	37.3	40%	0.398	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	6.2	-177.6	-48.5	-61.6	0	0	0	116.4	R62	R62-H232 PolarHBondContact NH1-CD2 2.75Å; R62-H232 PolarHBondContact NH1-CE1 3.49Å; R62-H232 PolarHBondContact NH1-ND1 2.85Å; R62-H232 PolarHBondContact NH1-NE2 3.12Å
233	S	71.6	Confident	85.6	Confident	17 Å²	17	34.6 Å²	34.6	12%	0.119	18%	0.175	C	C	.	.			trans	-86.2	151.6	-177.4	-174.6	0	0	0	0	113.4	L230 E231 R235 R410	L230-S233 PolarHBondContact O-N 2.92Å; E231-S233 PolarHBondContact O-N 3.46Å; S233-R235 PolarHBondContact O-N 3.36Å; S233-R235 PolarHBondContact OG-N 3.06Å; S233-R410 PolarHBondContact O-NH1 3.44Å
234	S	65.8	Low	85.5	Confident	17 Å²	17	33.8 Å²	33.8	12%	0.119	17%	0.171	C	C	.	.	S	Bend	trans	-76.2	2	173.8	66.2	0	0	0	0	115.3	D66 R410 R414	D66-S234 WeakPolarHBondContact OD2-CB 3.38Å; D66-S234 PolarHBondContact OD2-N 2.92Å; D66-S234 PolarHBondContact OD2-OG 2.75Å; S234-R410 VanDerWaalsContact CA-CD 3.48Å; S234-R410 PolarHBondContact O-NH1 3.12Å; S234-R414 PolarHBondContact O-NH1 3.48Å; S234-R414 PolarHBondContact O-NH2 3.19Å; S234-R414 PolarHBondContact OG-NH2 2.94Å
235	R	69.2	Low	85.1	Confident	61 Å²	61	35 Å²	35	23%	0.23	18%	0.176	C	C	.	.	S	Bend	trans	-78.1	147.5	177.9	-69.9	174.5	173.9	-87.7	-10.9	112.9	S233 K350 E351 R410	S233-R235 PolarHBondContact O-N 3.36Å; S233-R235 PolarHBondContact OG-N 3.06Å; R235-K350 PolarHBondContact NH1-O 2.9Å; R235-K350 VanDerWaalsContact NH1-O 3.13Å; R235-E351 IonicContact CZ-OE1 3.93Å; R235-E351 IonicContact NH1-OE1 2.71Å; R235-E351 PolarHBondContact NH1-OE1 3.44Å; R235-E351 IonicContact NH1-OE2 2.75Å; R235-R410 PolarHBondContact O-NH1 3.13Å
236	P	75.6	Confident	84.5	Confident	71 Å²	71	36.1 Å²	36.1	46%	0.461	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-72.1	162.5	168.7	32.4	-34.3	0	0	0	110.4	S238	P236-S238 PolarHBondContact O-N 3.38Å
237	T	83.9	Confident	83.3	Confident	71 Å²	71	45.9 Å²	45.9	44%	0.436	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-62.8	121.9	171.7	-48.1	0	0	0	0	109.8	T207 R227 S228	T207-T237 HydrophobicContact CG2-CG2 4.25Å; R227-T237 HydrophobicContact CB-CG2 3.85Å; R227-T237 HydrophobicContact CG-CG2 4.49Å; S228-T237 WeakPolarHBondContact O-CA 3.05Å
238	S	89.1	Confident	81.6	Confident	7 Å²	7	45.4 Å²	45.4	5%	0.049	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.3	175.2	56.4	0	0	0	0	109.3	S228 P236 E351 P354	S228-S238 PolarHBondContact N-O 3.37Å; S228-S238 PolarHBondContact O-N 2.94Å; S228-S238 PolarHBondContact O-OG 2.88Å; P236-S238 PolarHBondContact O-N 3.38Å; S238-E351 VanDerWaalsContact CB-O 3.29Å; S238-E351 WeakPolarHBondContact CB-O 2.91Å; S238-E351 PolarHBondContact OG-O 3.25Å; S238-P354 WeakPolarHBondContact OG-CD 3.41Å; S238-P354 WeakPolarHBondContact OG-CG 3.37Å
239	T	92.9	Very high	79.7	Confident	43 Å²	43	48.8 Å²	48.8	26%	0.264	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.8	-179.6	-42.5	0	0	0	0	110.7	E225 C226 R227	E225-T239 HydrophobicContact CG-CG2 3.79Å; C226-T239 WeakPolarHBondContact O-CA 3.33Å; R227-T239 HydrophobicContact CG-CG2 3.74Å
240	V	94.3	Very high	77.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.3	173.4	178.4	0	0	0	0	108.6	C226 L265 M352 L353 M373	C226-V240 PolarHBondContact N-O 3.15Å; C226-V240 PolarHBondContact O-N 3.12Å; V240-L265 HydrophobicContact CG1-CD2 4.39Å; V240-M352 HydrophobicContact CG2-CG 4.39Å; V240-L353 HydrophobicContact CB-CD2 4.43Å; V240-L353 HydrophobicContact CG2-CD2 4.13Å; V240-L353 HydrophobicContact CG2-CG 4.44Å; V240-M373 HydrophobicContact CG1-CE 4.41Å
241	W	94.7	Very high	75.8	Confident	91 Å²	91	50 Å²	50	35%	0.345	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.8	179.3	-55.7	17.1	0	0	0	108.4	K223 A224 A263 I264	K223-W241 HydrophobicContact CD-CD2 4.22Å; K223-W241 HydrophobicContact CD-CE3 3.64Å; K223-W241 HydrophobicContact CD-CZ3 3.84Å; K223-W241 VanDerWaalsContact NZ-CD2 3.26Å; A224-W241 CarbonylContact O-C 3.29Å; A224-W241 VanDerWaalsContact O-CA 3.31Å; A224-W241 WeakPolarHBondContact O-CA 3.48Å; W241-A263 CarbonylContact O-C 3.53Å; W241-A263 VanDerWaalsContact O-CA 3.26Å; W241-A263 WeakPolarHBondContact O-CA 3.34Å; W241-I264 HydrophobicContact CB-CB 4.1Å; W241-I264 HydrophobicContact CB-CD1 4.44Å; W241-I264 HydrophobicContact CB-CG1 4.47Å; W241-I264 HydrophobicContact CE3-CD1 4.16Å; W241-I264 PolarHBondContact N-O 3.27Å; W241-I264 VanDerWaalsContact N-O 3.15Å; W241-I264 PolarHBondContact O-N 2.87Å
242	V	95	Very high	74.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.3	169.5	-176.6	0	0	0	0	106.8	A224 I261 I262 I274 L370 M373 V374 L377	A224-V242 HydrophobicContact CB-CB 4.23Å; A224-V242 PolarHBondContact N-O 2.69Å; A224-V242 PolarHBondContact O-N 3.46Å; V242-I261 HydrophobicContact CG1-CG2 3.52Å; V242-I262 CarbonylContact C-O 3.57Å; V242-I262 WeakPolarHBondContact CA-O 3.42Å; V242-I274 HydrophobicContact CG2-CD1 4.48Å; V242-L370 HydrophobicContact CG2-CD1 4.4Å; V242-M373 HydrophobicContact CG2-CE 4Å; V242-V374 HydrophobicContact CG1-CG2 4.21Å; V242-L377 HydrophobicContact CB-CD1 4.48Å; V242-L377 HydrophobicContact CG1-CD1 4.19Å; V242-L377 WeakPolarHBondContact O-CD1 3.46Å
243	N	93.8	Very high	73.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.8	-173.2	-56.3	-38	0	0	0	110.5	Y220 Y222 K223 I261 I262 I264	Y220-N243 HydrophobicContact CD1-CB 3.69Å; Y220-N243 HydrophobicContact CD2-CB 4.22Å; Y220-N243 HydrophobicContact CE1-CB 4.11Å; Y220-N243 HydrophobicContact CG-CB 3.75Å; Y222-N243 WeakPolarHBondContact O-CA 3.31Å; K223-N243 WeakPolarHBondContact CB-OD1 3.47Å; K223-N243 WeakPolarHBondContact CG-OD1 3.08Å; N243-I261 WeakPolarHBondContact O-CA 3.41Å; N243-I262 HydrophobicContact CB-CD1 4.29Å; N243-I262 HydrophobicContact CB-CG1 4.05Å; N243-I262 PolarHBondContact N-O 3.1Å; N243-I262 WeakPolarHBondContact O-CG1 3.42Å; N243-I262 PolarHBondContact O-N 3.16Å; N243-I264 WeakPolarHBondContact ND2-CD1 3.48Å
244	M	90.7	Very high	72.8	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.6	170.4	-177.5	-177.8	-82.3	0	0	109.9	Y220 A221 Y222 Q259 I261 M305 L377 L378 A381	Y220-M244 CarbonylContact C-O 3.45Å; Y220-M244 VanDerWaalsContact CA-O 3.24Å; Y220-M244 WeakPolarHBondContact CA-O 3.42Å; Y220-M244 WeakPolarHBondContact CB-O 3.18Å; A221-M244 PolarHBondContact N-O 3.33Å; Y222-M244 HydrophobicContact CD2-SD 3.98Å; Y222-M244 PolarHBondContact O-N 2.92Å; M244-Q259 HydrophobicContact CG-CB 4.06Å; M244-Q259 HydrophobicContact SD-CB 4.23Å; M244-I261 HydrophobicContact CE-CD1 4.31Å; M244-I261 HydrophobicContact CE-CG1 4.31Å; M244-M305 HydrophobicContact CE-CG 4.05Å; M244-M305 HydrophobicContact CE-SD 3.56Å; M244-M305 VanDerWaalsContact CE-SD 3.56Å; M244-M305 HydrophobicContact SD-SD 4.49Å; M244-L377 HydrophobicContact CB-CD2 3.84Å; M244-L377 HydrophobicContact CE-CD2 3.43Å; M244-L377 VanDerWaalsContact CE-CD2 3.43Å; M244-L377 HydrophobicContact SD-CD2 4.32Å; M244-L378 HydrophobicContact CE-CD2 4.05Å; M244-A381 HydrophobicContact CE-CB 3.72Å; M244-A381 HydrophobicContact SD-CB 3.77Å
245	F	87.5	Confident	72.1	Confident	25 Å²	25	65.4 Å²	65.4	11%	0.11	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	141.9	176.6	-80.9	-69.2	0	0	0	112.5	K219 Y220 R260 I262 E271	K219-F245 HydrophobicContact CD-CD1 4.5Å; K219-F245 HydrophobicContact CD-CE1 3.66Å; K219-F245 HydrophobicContact CG-CD1 4.1Å; K219-F245 HydrophobicContact CG-CE1 3.74Å; K219-F245 WeakPolarHBondContact O-CD1 3.32Å; Y220-F245 HydrophobicContact CD1-CD1 4.1Å; Y220-F245 HydrophobicContact CD1-CE1 4Å; Y220-F245 HydrophobicContact CE1-CD1 4.34Å; Y220-F245 AromaticContact CE1-CE1 3.77Å; Y220-F245 HydrophobicContact CE1-CE1 3.77Å; Y220-F245 HydrophobicContact CE1-CZ 4.2Å; F245-R260 HydrophobicContact CD2-CB 3.96Å; F245-R260 WeakPolarHBondContact CD2-O 3.29Å; F245-R260 PolarHBondContact N-O 2.97Å; F245-I262 HydrophobicContact CD2-CG1 4.48Å; F245-I262 HydrophobicContact CD2-CG2 4.47Å; F245-I262 HydrophobicContact CE1-CD1 4.45Å; F245-I262 HydrophobicContact CE2-CB 4.44Å; F245-I262 HydrophobicContact CE2-CD1 3.79Å; F245-I262 HydrophobicContact CE2-CG1 3.92Å; F245-I262 HydrophobicContact CE2-CG2 3.67Å; F245-I262 HydrophobicContact CZ-CD1 3.67Å; F245-I262 HydrophobicContact CZ-CG1 4.31Å; F245-I262 HydrophobicContact CZ-CG2 4.46Å; F245-E271 WeakPolarHBondContact CZ-OE2 3.45Å
246	A	81.9	Confident	71.2	Confident	37 Å²	37	68.6 Å²	68.6	31%	0.306	43%	0.429	S	S	.	.			trans	-68.4	148.9	170.1	0	0	0	0	0	110.9	K219 A221 G248	K219-A246 PolarHBondContact O-N 3.24Å; A221-A246 HydrophobicContact CB-CB 4.22Å; A246-G248 PolarHBondContact O-N 3.35Å; A246-G248 VanDerWaalsContact O-N 3.09Å
247	R	70	Confident	70.3	Confident	206 Å²	206	69.2 Å²	69.2	78%	0.777	43%	0.426	S	S	*	.	S	Bend	trans	-71.9	100.8	171.4	-67.6	-175.9	-177.1	180	0.9	108.2	Q259	R247-Q259 HydrophobicContact CG-CG 3.65Å; R247-Q259 VanDerWaalsContact NE-CD 3.28Å
248	G	56.8	Low	69.3	Low	71 Å²	71	67.8 Å²	67.8	73%	0.732	43%	0.426	S	S	*	.			trans	120.3	98.6	176.8	0	0	0	0	0	113.1	A246	A246-G248 PolarHBondContact O-N 3.35Å; A246-G248 VanDerWaalsContact O-N 3.09Å
249	G	50.4	Low	68.8	Low	71 Å²	71	68.8 Å²	68.8	73%	0.732	43%	0.43	S	S	*	.			trans	-175.6	63.2	-179.3	0	0	0	0	0	113.9
250	G	43.8	Very low	68.5	Low	55 Å²	55	68.7 Å²	68.7	57%	0.567	42%	0.424	S	S	*	.	S	Bend	trans	111.3	105.9	160.2	0	0	0	0	0	117	K254	G250-K254 VanDerWaalsContact O-CB 3.29Å; G250-K254 WeakPolarHBondContact O-CB 2.97Å; G250-K254 WeakPolarHBondContact O-CD 3.17Å
251	G	45.5	Very low	68.4	Low	61 Å²	61	68.7 Å²	68.7	63%	0.629	42%	0.424	S	S	*	.			trans	73.4	142.4	165.6	0	0	0	0	0	116.3	K253 K254 S255	G251-K253 PolarHBondContact O-N 2.9Å; G251-K254 PolarHBondContact O-N 2.97Å; G251-S255 PolarHBondContact O-N 2.72Å
252	A	48	Very low	68.4	Low	90 Å²	90	64.6 Å²	64.6	74%	0.744	41%	0.409	S	S	*	.	H	α-helix	trans	-51.7	-30.6	-179.3	0	0	0	0	0	113.9	K254 S255	A252-K254 PolarHBondContact O-N 3.37Å; A252-S255 PolarHBondContact O-N 2.91Å
253	K	49.9	Very low	68.4	Low	192 Å²	192	64.6 Å²	64.6	84%	0.835	41%	0.409	S	S	*	.	H	α-helix	trans	-69.8	-27.2	178.3	-118.8	-178.8	-179.1	-178.8	0	114.5	G251	G251-K253 PolarHBondContact O-N 2.9Å
254	K	50	Low	68.4	Low	118 Å²	118	66.7 Å²	66.7	51%	0.513	42%	0.42	S	S	.	.	H	α-helix	trans	-93.3	-16.3	177	-65.7	-176.2	176	171.9	0	113.2	G250 G251 A252 V256 M257	G250-K254 VanDerWaalsContact O-CB 3.29Å; G250-K254 WeakPolarHBondContact O-CB 2.97Å; G250-K254 WeakPolarHBondContact O-CD 3.17Å; G251-K254 PolarHBondContact O-N 2.97Å; A252-K254 PolarHBondContact O-N 3.37Å; K254-V256 PolarHBondContact O-N 3.37Å; K254-M257 PolarHBondContact O-N 3.46Å
255	S	50.4	Low	68.5	Low	104 Å²	104	66.8 Å²	66.8	73%	0.727	42%	0.421	S	S	*	.	H	α-helix	trans	-69.6	-21.3	176.4	-163.6	0	0	0	0	112.9	G251 A252	G251-S255 PolarHBondContact O-N 2.72Å; A252-S255 PolarHBondContact O-N 2.91Å
256	V	51	Low	68.6	Low	128 Å²	128	66.4 Å²	66.4	78%	0.776	42%	0.42	S	S	*	.	S	Bend	trans	-82.6	-27.4	177.1	-177.8	0	0	0	0	111.6	K254 G258	K254-V256 PolarHBondContact O-N 3.37Å; V256-G258 PolarHBondContact O-N 3.13Å
257	M	56.1	Low	68.8	Low	83 Å²	83	71.2 Å²	71.2	41%	0.409	43%	0.431	S	S	.	.	S	Bend	trans	-84.9	114.7	175.7	-66.9	-177.7	79.1	0	0	108.2	K254	K254-M257 PolarHBondContact O-N 3.46Å
258	G	64.1	Low	69.8	Low	41 Å²	41	62 Å²	62	42%	0.423	40%	0.397	S	S	.	.			trans	-60.2	-160.5	-175.2	0	0	0	0	0	115.8	V256 R260	V256-G258 PolarHBondContact O-N 3.13Å; G258-R260 PolarHBondContact O-N 3.27Å; G258-R260 VanDerWaalsContact O-N 3.08Å
259	Q	76.9	Confident	71.1	Confident	29 Å²	29	67.7 Å²	67.7	14%	0.136	40%	0.402	C	S	.	.			trans	-70.2	108.3	-178.8	-70.9	171	-72.7	0	0	110.4	M244 R247	M244-Q259 HydrophobicContact CG-CB 4.06Å; M244-Q259 HydrophobicContact SD-CB 4.23Å; R247-Q259 HydrophobicContact CG-CG 3.65Å; R247-Q259 VanDerWaalsContact NE-CD 3.28Å
260	R	88.1	Confident	73	Confident	41 Å²	41	69.2 Å²	69.2	16%	0.155	39%	0.39	C	S	.	.			trans	-90.6	146.4	179.8	-64	173.1	-63.2	151.9	14	111.1	F245 G258 P308 E312	F245-R260 HydrophobicContact CD2-CB 3.96Å; F245-R260 WeakPolarHBondContact CD2-O 3.29Å; F245-R260 PolarHBondContact N-O 2.97Å; G258-R260 PolarHBondContact O-N 3.27Å; G258-R260 VanDerWaalsContact O-N 3.08Å; R260-P308 HydrophobicContact CG-CB 4.39Å; R260-E312 WeakPolarHBondContact CD-OE2 3.39Å; R260-E312 IonicContact CZ-OE1 3.93Å; R260-E312 IonicContact NH1-OE1 3.62Å; R260-E312 PolarHBondContact NH1-OE1 2.88Å
261	I	92.7	Very high	75.3	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.1	179.8	-54.9	174.7	0	0	0	109.7	V242 N243 M244 I274 S309 V374 L378	V242-I261 HydrophobicContact CG1-CG2 3.52Å; N243-I261 WeakPolarHBondContact O-CA 3.41Å; M244-I261 HydrophobicContact CE-CD1 4.31Å; M244-I261 HydrophobicContact CE-CG1 4.31Å; I261-I274 HydrophobicContact CB-CG2 3.96Å; I261-I274 HydrophobicContact CG2-CB 4.18Å; I261-I274 HydrophobicContact CG2-CG2 3.92Å; I261-I274 PolarHBondContact O-N 2.64Å; I261-S309 PolarHBondContact N-OG 3.27Å; I261-V374 HydrophobicContact CD1-CG1 4.09Å; I261-L378 HydrophobicContact CD1-CD2 3.93Å
262	I	93.8	Very high	77.6	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152	-178.6	52	157	0	0	0	110.9	Y220 V242 N243 F245 E271 I272	Y220-I262 HydrophobicContact CD1-CD1 4.32Å; Y220-I262 HydrophobicContact CE1-CD1 3.59Å; V242-I262 CarbonylContact C-O 3.57Å; V242-I262 WeakPolarHBondContact CA-O 3.42Å; N243-I262 HydrophobicContact CB-CD1 4.29Å; N243-I262 HydrophobicContact CB-CG1 4.05Å; N243-I262 PolarHBondContact N-O 3.1Å; N243-I262 WeakPolarHBondContact O-CG1 3.42Å; N243-I262 PolarHBondContact O-N 3.16Å; F245-I262 HydrophobicContact CD2-CG1 4.48Å; F245-I262 HydrophobicContact CD2-CG2 4.47Å; F245-I262 HydrophobicContact CE1-CD1 4.45Å; F245-I262 HydrophobicContact CE2-CB 4.44Å; F245-I262 HydrophobicContact CE2-CD1 3.79Å; F245-I262 HydrophobicContact CE2-CG1 3.92Å; F245-I262 HydrophobicContact CE2-CG2 3.67Å; F245-I262 HydrophobicContact CZ-CD1 3.67Å; F245-I262 HydrophobicContact CZ-CG1 4.31Å; F245-I262 HydrophobicContact CZ-CG2 4.46Å; I262-E271 HydrophobicContact CB-CB 4.45Å; I262-E271 HydrophobicContact CD1-CB 3.79Å; I262-E271 HydrophobicContact CD1-CG 3.66Å; I262-E271 WeakPolarHBondContact CD1-OE2 3.37Å; I262-I272 CarbonylContact C-O 3.58Å
263	A	94.7	Very high	79.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143	172.4	0	0	0	0	0	111.2	W241 I272 I274 V277	W241-A263 CarbonylContact O-C 3.53Å; W241-A263 VanDerWaalsContact O-CA 3.26Å; W241-A263 WeakPolarHBondContact O-CA 3.34Å; A263-I272 PolarHBondContact N-O 2.9Å; A263-I272 PolarHBondContact O-N 2.63Å; A263-I274 HydrophobicContact CB-CD1 4.03Å; A263-V277 HydrophobicContact CB-CG2 4.22Å
264	I	94.2	Very high	81.8	Confident	44 Å²	44	53.7 Å²	53.7	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.1	166.2	-55.2	176.6	0	0	0	106.7	W241 N243 E271	W241-I264 HydrophobicContact CB-CB 4.1Å; W241-I264 HydrophobicContact CB-CD1 4.44Å; W241-I264 HydrophobicContact CB-CG1 4.47Å; W241-I264 HydrophobicContact CE3-CD1 4.16Å; W241-I264 PolarHBondContact N-O 3.27Å; W241-I264 VanDerWaalsContact N-O 3.15Å; W241-I264 PolarHBondContact O-N 2.87Å; N243-I264 WeakPolarHBondContact ND2-CD1 3.48Å; I264-E271 HydrophobicContact CD1-CG 4.49Å; I264-E271 HydrophobicContact CG1-CG 4.21Å
265	L	92.2	Very high	83.9	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	25%	0.251	C	S	.	.			trans	-91.2	149.1	179.2	-61.4	179.8	0	0	0	110.7	V240 I268 I272 V277 L348 M352	V240-L265 HydrophobicContact CG1-CD2 4.39Å; L265-I268 HydrophobicContact CB-CB 4.31Å; L265-I268 HydrophobicContact CB-CG1 3.93Å; L265-I268 PolarHBondContact O-N 3.45Å; L265-I272 HydrophobicContact CD1-CD1 3.8Å; L265-I272 HydrophobicContact CG-CD1 4.32Å; L265-V277 HydrophobicContact CD1-CG2 4.39Å; L265-L348 HydrophobicContact CD1-CD2 3.98Å; L265-M352 HydrophobicContact CD2-CE 4.43Å; L265-M352 HydrophobicContact CD2-CG 4.3Å; L265-M352 HydrophobicContact CD2-SD 3.74Å
266	P	89.7	Confident	86	Confident	16 Å²	16	43.3 Å²	43.3	10%	0.104	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	141.1	175.8	25.6	-34.3	0	0	0	110.8	I268 E351	P266-I268 PolarHBondContact O-N 3.43Å; P266-I268 VanDerWaalsContact O-N 3.09Å; P266-E351 HydrophobicContact CG-CB 3.96Å; P266-E351 WeakPolarHBondContact CG-O 3.09Å
267	Y	86.6	Confident	88.1	Confident	138 Å²	138	37.2 Å²	37.2	54%	0.541	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	2.7	-178.3	-46.7	-81.2	0	0	0	116.7	E351	Y267-E351 HydrophobicContact CD2-CB 4.19Å; Y267-E351 HydrophobicContact CD2-CG 3.97Å; Y267-E351 HydrophobicContact CE2-CB 4.1Å; Y267-E351 HydrophobicContact CE2-CG 3.77Å; Y267-E351 WeakPolarHBondContact CE2-OE2 3.31Å
268	I	90.6	Very high	90	Very high	12 Å²	12	33.2 Å²	33.2	6%	0.062	16%	0.161	C	C	.	.			trans	-98.2	128.7	172.1	-54.8	-60.4	0	0	0	109.6	L265 P266 Q270 I272 I326 R329 I347	L265-I268 HydrophobicContact CB-CB 4.31Å; L265-I268 HydrophobicContact CB-CG1 3.93Å; L265-I268 PolarHBondContact O-N 3.45Å; P266-I268 PolarHBondContact O-N 3.43Å; P266-I268 VanDerWaalsContact O-N 3.09Å; I268-Q270 WeakPolarHBondContact CG2-O 3.46Å; I268-I272 HydrophobicContact CB-CD1 4.48Å; I268-I272 HydrophobicContact CG1-CD1 4.42Å; I268-I272 HydrophobicContact CG2-CD1 3.85Å; I268-I272 HydrophobicContact CG2-CG1 4.46Å; I268-I326 HydrophobicContact CD1-CG2 4.03Å; I268-I326 HydrophobicContact CG1-CG2 4.39Å; I268-R329 HydrophobicContact CG2-CB 3.97Å; I268-I347 HydrophobicContact CD1-CD1 3.71Å
269	K	84.9	Confident	91.4	Very high	192 Å²	192	31.6 Å²	31.6	84%	0.835	14%	0.142	S	C	*	.	S	Bend	trans	-78.8	-24.7	-175.4	-63.6	-174	179.3	-178.2	0	114
270	Q	90.3	Very high	92.2	Very high	103 Å²	103	30.3 Å²	30.3	48%	0.481	14%	0.136	S	C	.	.	S	Bend	trans	-111.2	151.7	-175.9	-64.2	-173.8	9.5	0	0	111.1	I268 R329	I268-Q270 WeakPolarHBondContact CG2-O 3.46Å; Q270-R329 HydrophobicContact CB-CB 4.15Å; Q270-R329 HydrophobicContact CB-CG 4.08Å; Q270-R329 HydrophobicContact CG-CG 4.38Å
271	E	91.1	Very high	92.4	Very high	58 Å²	58	28.6 Å²	28.6	27%	0.271	13%	0.13	S	C	.	.			trans	-66.2	140.8	171.9	-60.1	163.1	-169.9	0	0	110.1	K219 Y220 F245 I262 I264	K219-E271 IonicContact NZ-OE1 3.77Å; K219-E271 PolarHBondContact NZ-OE1 3.03Å; K219-E271 IonicContact NZ-OE2 3.73Å; K219-E271 PolarHBondContact NZ-OE2 3.06Å; Y220-E271 PolarHBondContact OH-OE1 2.99Å; F245-E271 WeakPolarHBondContact CZ-OE2 3.45Å; I262-E271 HydrophobicContact CB-CB 4.45Å; I262-E271 HydrophobicContact CD1-CB 3.79Å; I262-E271 HydrophobicContact CD1-CG 3.66Å; I262-E271 WeakPolarHBondContact CD1-OE2 3.37Å; I264-E271 HydrophobicContact CD1-CG 4.49Å; I264-E271 HydrophobicContact CG1-CG 4.21Å
272	I	93.7	Very high	92.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.9	179.2	-62.3	160.6	0	0	0	108.6	I262 A263 L265 I268 I274 I276 V277 F325 I326	I262-I272 CarbonylContact C-O 3.58Å; A263-I272 PolarHBondContact N-O 2.9Å; A263-I272 PolarHBondContact O-N 2.63Å; L265-I272 HydrophobicContact CD1-CD1 3.8Å; L265-I272 HydrophobicContact CG-CD1 4.32Å; I268-I272 HydrophobicContact CB-CD1 4.48Å; I268-I272 HydrophobicContact CG1-CD1 4.42Å; I268-I272 HydrophobicContact CG2-CD1 3.85Å; I268-I272 HydrophobicContact CG2-CG1 4.46Å; I272-I274 PolarHBondContact O-N 2.91Å; I272-I276 HydrophobicContact CG2-CB 4.15Å; I272-I276 HydrophobicContact CG2-CG2 4.21Å; I272-V277 HydrophobicContact CB-CG2 4.35Å; I272-V277 HydrophobicContact CG2-CG2 3.74Å; I272-F325 HydrophobicContact CG2-CE1 4.48Å; I272-I326 HydrophobicContact CD1-CB 4.33Å; I272-I326 HydrophobicContact CD1-CG1 3.88Å; I272-I326 HydrophobicContact CD1-CG2 4Å; I272-I326 HydrophobicContact CG2-CG1 4.38Å
273	P	94.1	Very high	92.2	Very high	14 Å²	14	31.5 Å²	31.5	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	134.5	171	-27.4	34.3	0	0	0	112.2	M275 I276 V277 E312	P273-M275 VanDerWaalsContact C-N 3.26Å; P273-M275 PolarHBondContact O-N 3.11Å; P273-I276 HydrophobicContact CB-CD1 3.97Å; P273-I276 HydrophobicContact CB-CG1 4.2Å; P273-I276 HydrophobicContact CG-CD1 3.8Å; P273-I276 WeakPolarHBondContact O-CB 3.26Å; P273-I276 PolarHBondContact O-N 3.16Å; P273-V277 PolarHBondContact O-N 3.09Å; P273-E312 HydrophobicContact CG-CG 4.31Å
274	I	93.5	Very high	92	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.9	-37.8	-171.6	-170.6	65.4	0	0	0	112.7	V242 I261 A263 I272 I276 V277 F278 L370 V374	V242-I274 HydrophobicContact CG2-CD1 4.48Å; I261-I274 HydrophobicContact CB-CG2 3.96Å; I261-I274 HydrophobicContact CG2-CB 4.18Å; I261-I274 HydrophobicContact CG2-CG2 3.92Å; I261-I274 PolarHBondContact O-N 2.64Å; A263-I274 HydrophobicContact CB-CD1 4.03Å; I272-I274 PolarHBondContact O-N 2.91Å; I274-I276 VanDerWaalsContact C-N 3.28Å; I274-I276 PolarHBondContact O-N 2.75Å; I274-V277 WeakPolarHBondContact O-CA 3.33Å; I274-V277 VanDerWaalsContact O-CB 3.31Å; I274-V277 WeakPolarHBondContact O-CB 3.37Å; I274-V277 PolarHBondContact O-N 3.42Å; I274-F278 HydrophobicContact CD1-CE2 4.41Å; I274-F278 HydrophobicContact CG1-CD2 4.18Å; I274-F278 HydrophobicContact CG1-CE2 3.9Å; I274-F278 WeakPolarHBondContact O-CD2 3.34Å; I274-F278 PolarHBondContact O-N 3.31Å; I274-L370 HydrophobicContact CD1-CD1 3.85Å; I274-L370 HydrophobicContact CD1-CD2 3.86Å; I274-L370 HydrophobicContact CD1-CG 3.91Å; I274-V374 HydrophobicContact CD1-CG2 4Å; I274-V374 HydrophobicContact CG1-CG2 3.68Å
275	M	94.1	Very high	91.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-31.8	179.8	-57.5	-53.9	176.4	0	0	112.5	P273 V277 F278 R279 I289 I293 V306 S309 L310 A313	P273-M275 VanDerWaalsContact C-N 3.26Å; P273-M275 PolarHBondContact O-N 3.11Å; M275-V277 VanDerWaalsContact C-N 3.28Å; M275-V277 PolarHBondContact O-N 3.24Å; M275-F278 PolarHBondContact O-N 3.12Å; M275-R279 WeakPolarHBondContact O-CG 3.31Å; M275-R279 PolarHBondContact O-N 3.35Å; M275-I289 HydrophobicContact SD-CG2 3.58Å; M275-I289 VanDerWaalsContact SD-CG2 3.58Å; M275-I293 HydrophobicContact CE-CD1 3.96Å; M275-I293 HydrophobicContact SD-CD1 4.32Å; M275-V306 HydrophobicContact CE-CG1 3.23Å; M275-S309 WeakPolarHBondContact CG-O 3.5Å; M275-L310 HydrophobicContact CE-CD2 3.83Å; M275-L310 HydrophobicContact CE-CG 3.94Å; M275-L310 HydrophobicContact CG-CD2 3.97Å; M275-L310 HydrophobicContact SD-CD2 3.71Å; M275-L310 HydrophobicContact SD-CG 4.43Å; M275-A313 HydrophobicContact CB-CB 3.41Å; M275-A313 VanDerWaalsContact CB-CB 3.41Å; M275-A313 HydrophobicContact CG-CB 4.27Å
276	I	94.5	Very high	91.8	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-68.9	-31.4	174.6	-63.1	173	0	0	0	110.5	I272 P273 I274 A280 A313 I316 A322 F325	I272-I276 HydrophobicContact CG2-CB 4.15Å; I272-I276 HydrophobicContact CG2-CG2 4.21Å; P273-I276 HydrophobicContact CB-CD1 3.97Å; P273-I276 HydrophobicContact CB-CG1 4.2Å; P273-I276 HydrophobicContact CG-CD1 3.8Å; P273-I276 WeakPolarHBondContact O-CB 3.26Å; P273-I276 PolarHBondContact O-N 3.16Å; I274-I276 VanDerWaalsContact C-N 3.28Å; I274-I276 PolarHBondContact O-N 2.75Å; I276-A280 WeakPolarHBondContact O-CB 3.46Å; I276-A280 PolarHBondContact O-N 3.39Å; I276-A313 HydrophobicContact CG1-CB 3.98Å; I276-I316 HydrophobicContact CD1-CD1 3.9Å; I276-I316 HydrophobicContact CG1-CD1 4.32Å; I276-I316 HydrophobicContact CG2-CD1 4.31Å; I276-A322 HydrophobicContact CG2-CB 3.99Å; I276-F325 HydrophobicContact CD1-CD1 4.14Å; I276-F325 HydrophobicContact CD1-CE1 3.59Å; I276-F325 HydrophobicContact CD1-CE2 4.46Å; I276-F325 HydrophobicContact CD1-CZ 3.74Å; I276-F325 HydrophobicContact CG2-CD1 3.86Å; I276-F325 HydrophobicContact CG2-CE1 4.28Å
277	V	94.6	Very high	91.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.3	-44.3	175	-174.5	0	0	0	0	110.5	A263 L265 I272 P273 I274 M275 R279 A280 L281 L348 M352 L370	A263-V277 HydrophobicContact CB-CG2 4.22Å; L265-V277 HydrophobicContact CD1-CG2 4.39Å; I272-V277 HydrophobicContact CB-CG2 4.35Å; I272-V277 HydrophobicContact CG2-CG2 3.74Å; P273-V277 PolarHBondContact O-N 3.09Å; I274-V277 WeakPolarHBondContact O-CA 3.33Å; I274-V277 VanDerWaalsContact O-CB 3.31Å; I274-V277 WeakPolarHBondContact O-CB 3.37Å; I274-V277 PolarHBondContact O-N 3.42Å; M275-V277 VanDerWaalsContact C-N 3.28Å; M275-V277 PolarHBondContact O-N 3.24Å; V277-R279 PolarHBondContact O-N 3.16Å; V277-A280 WeakPolarHBondContact O-CB 3.47Å; V277-A280 PolarHBondContact O-N 3.25Å; V277-A280 VanDerWaalsContact O-N 3.12Å; V277-L281 WeakPolarHBondContact O-CG 3.33Å; V277-L281 PolarHBondContact O-N 3.19Å; V277-L348 HydrophobicContact CG1-CD2 4.34Å; V277-M352 HydrophobicContact CG1-CE 4.11Å; V277-M352 HydrophobicContact CG1-SD 4.12Å; V277-L370 HydrophobicContact CB-CD2 4.31Å; V277-L370 HydrophobicContact CG1-CD2 3.81Å
278	F	95.1	Very high	92.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-44.5	173.9	-81.4	-78.1	0	0	0	112.7	I274 M275 A280 L281 G282 F283 I289 H292 I293 A367 L370	I274-F278 HydrophobicContact CD1-CE2 4.41Å; I274-F278 HydrophobicContact CG1-CD2 4.18Å; I274-F278 HydrophobicContact CG1-CE2 3.9Å; I274-F278 WeakPolarHBondContact O-CD2 3.34Å; I274-F278 PolarHBondContact O-N 3.31Å; M275-F278 PolarHBondContact O-N 3.12Å; F278-A280 VanDerWaalsContact C-N 3.27Å; F278-A280 PolarHBondContact O-N 3.33Å; F278-L281 WeakPolarHBondContact O-CB 3.48Å; F278-L281 PolarHBondContact O-N 3.23Å; F278-L281 VanDerWaalsContact O-N 3.11Å; F278-G282 PolarHBondContact O-N 3.42Å; F278-F283 PolarHBondContact O-N 3.08Å; F278-F283 VanDerWaalsContact O-N 3.16Å; F278-I289 HydrophobicContact CB-CD1 3.93Å; F278-I289 HydrophobicContact CB-CG1 3.88Å; F278-I289 HydrophobicContact CB-CG2 3.94Å; F278-I289 HydrophobicContact CD1-CG2 4.23Å; F278-I289 HydrophobicContact CD2-CG2 3.78Å; F278-I289 HydrophobicContact CE2-CG2 4.32Å; F278-I289 HydrophobicContact CG-CG1 4.43Å; F278-I289 HydrophobicContact CG-CG2 3.73Å; F278-H292 HydrophobicContact CE1-CB 4.1Å; F278-I293 HydrophobicContact CE2-CD1 3.9Å; F278-I293 HydrophobicContact CE2-CG1 4.1Å; F278-I293 HydrophobicContact CZ-CD1 4.27Å; F278-I293 HydrophobicContact CZ-CG1 3.97Å; F278-A367 HydrophobicContact CD1-CB 4.31Å; F278-A367 HydrophobicContact CE1-CB 4.17Å; F278-A367 WeakPolarHBondContact CE1-O 3.36Å; F278-L370 HydrophobicContact CD2-CD2 4.29Å; F278-L370 HydrophobicContact CE1-CD2 4.41Å; F278-L370 HydrophobicContact CE2-CD2 3.97Å; F278-L370 HydrophobicContact CE2-CG 4.23Å; F278-L370 HydrophobicContact CZ-CB 4.25Å; F278-L370 HydrophobicContact CZ-CD2 4.04Å; F278-L370 HydrophobicContact CZ-CG 4.09Å
279	R	94.5	Very high	92.1	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-35.7	173.7	-67.6	-174.4	-169.2	-71.6	0.4	112.7	M275 V277 L281 G282 F283 V284 D286 I289 I316 Q319 A322	M275-R279 WeakPolarHBondContact O-CG 3.31Å; M275-R279 PolarHBondContact O-N 3.35Å; V277-R279 PolarHBondContact O-N 3.16Å; R279-L281 VanDerWaalsContact C-N 3.34Å; R279-G282 PolarHBondContact O-N 3.19Å; R279-F283 VanDerWaalsContact CA-O 3.31Å; R279-F283 WeakPolarHBondContact CA-O 3.44Å; R279-V284 PolarHBondContact NH1-O 2.96Å; R279-D286 IonicContact CZ-OD1 3.91Å; R279-D286 IonicContact NH1-OD1 2.72Å; R279-D286 IonicContact NH2-OD1 2.84Å; R279-D286 PolarHBondContact NH2-OD1 3.38Å; R279-D286 IonicContact NH2-OD2 2.84Å; R279-I289 HydrophobicContact CG-CD1 4.17Å; R279-I316 WeakPolarHBondContact CD-O 3.48Å; R279-I316 PolarHBondContact NE-O 3.29Å; R279-Q319 WeakPolarHBondContact O-CA 3.25Å; R279-Q319 WeakPolarHBondContact O-CB 3.27Å; R279-Q319 WeakPolarHBondContact O-CG 3.42Å; R279-A322 HydrophobicContact CB-CB 4.14Å
280	A	93.5	Very high	92.5	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-69.9	-29.8	176	0	0	0	0	0	113	I276 V277 F278 G282 Q319 A322 L323 I326 L348	I276-A280 WeakPolarHBondContact O-CB 3.46Å; I276-A280 PolarHBondContact O-N 3.39Å; V277-A280 WeakPolarHBondContact O-CB 3.47Å; V277-A280 PolarHBondContact O-N 3.25Å; V277-A280 VanDerWaalsContact O-N 3.12Å; F278-A280 VanDerWaalsContact C-N 3.27Å; F278-A280 PolarHBondContact O-N 3.33Å; A280-G282 PolarHBondContact O-N 2.82Å; A280-Q319 WeakPolarHBondContact O-CG 3.46Å; A280-Q319 PolarHBondContact O-NE2 3.12Å; A280-A322 HydrophobicContact CB-CB 3.96Å; A280-L323 HydrophobicContact CB-CD2 4.06Å; A280-L323 HydrophobicContact CB-CG 4.36Å; A280-I326 HydrophobicContact CB-CD1 3.58Å; A280-L348 HydrophobicContact CB-CD1 3.74Å
281	L	92.1	Very high	92.5	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.6	172.5	-68.8	171.6	0	0	0	113.6	V277 F278 R279 F283 A367 L370	V277-L281 WeakPolarHBondContact O-CG 3.33Å; V277-L281 PolarHBondContact O-N 3.19Å; F278-L281 WeakPolarHBondContact O-CB 3.48Å; F278-L281 PolarHBondContact O-N 3.23Å; F278-L281 VanDerWaalsContact O-N 3.11Å; R279-L281 VanDerWaalsContact C-N 3.34Å; L281-F283 HydrophobicContact CB-CD2 4.22Å; L281-F283 HydrophobicContact CB-CE2 4.47Å; L281-A367 HydrophobicContact CD1-CB 4.09Å; L281-L370 HydrophobicContact CD1-CD2 4.23Å
282	G	90.9	Very high	92.5	Very high	35 Å²	35	27.5 Å²	27.5	36%	0.361	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.9	-7.6	175.8	0	0	0	0	0	115.2	F278 R279 A280 V284	F278-G282 PolarHBondContact O-N 3.42Å; R279-G282 PolarHBondContact O-N 3.19Å; A280-G282 PolarHBondContact O-N 2.82Å; G282-V284 PolarHBondContact O-N 2.9Å
283	F	91.3	Very high	92.4	Very high	31 Å²	31	27.5 Å²	27.5	14%	0.136	15%	0.148	C	C	.	.			trans	-87.1	100.2	-178.9	-61.1	-82.2	0	0	0	111.1	F278 R279 L281 D288 I289 H292 T364 A367	F278-F283 PolarHBondContact O-N 3.08Å; F278-F283 VanDerWaalsContact O-N 3.16Å; R279-F283 VanDerWaalsContact CA-O 3.31Å; R279-F283 WeakPolarHBondContact CA-O 3.44Å; L281-F283 HydrophobicContact CB-CD2 4.22Å; L281-F283 HydrophobicContact CB-CE2 4.47Å; F283-D288 HydrophobicContact CD1-CB 4.23Å; F283-I289 HydrophobicContact CB-CG1 3.98Å; F283-H292 AromaticContact CD1-CE1 3.67Å; F283-H292 AromaticContact CE1-CE1 3.31Å; F283-H292 WeakPolarHBondContact CE1-CE1 3.47Å; F283-H292 AromaticContact CE1-NE2 3.56Å; F283-H292 AromaticContact CZ-CE1 3.8Å; F283-H292 AromaticContact CZ-NE2 3.58Å; F283-T364 HydrophobicContact CZ-CG2 4.27Å; F283-A367 HydrophobicContact CD2-CB 3.8Å; F283-A367 HydrophobicContact CE2-CB 3.2Å; F283-A367 HydrophobicContact CZ-CB 3.89Å
284	V	89.9	Confident	92.3	Very high	68 Å²	68	26.9 Å²	26.9	41%	0.412	15%	0.145	S	C	.	.			trans	-92.9	-31.7	-176.7	175.3	0	0	0	0	112.5	R279 G282 Q317	R279-V284 PolarHBondContact NH1-O 2.96Å; G282-V284 PolarHBondContact O-N 2.9Å; V284-Q317 WeakPolarHBondContact CG1-O 3.33Å
285	A	91.7	Very high	92	Very high	45 Å²	45	27.5 Å²	27.5	37%	0.372	15%	0.147	S	C	.	.	S	Bend	trans	-77.5	130.5	178.2	0	0	0	0	0	110.4	R287 D288 I289	A285-R287 PolarHBondContact O-N 3.18Å; A285-D288 HydrophobicContact CB-CB 4.32Å; A285-D288 PolarHBondContact O-N 3Å; A285-D288 VanDerWaalsContact O-N 3.16Å; A285-I289 WeakPolarHBondContact O-CG1 3.48Å; A285-I289 PolarHBondContact O-N 3.47Å; A285-I289 VanDerWaalsContact O-N 3.12Å
286	D	91.3	Very high	91.6	Very high	62 Å²	62	31.4 Å²	31.4	33%	0.332	17%	0.168	S	C	.	.	H	α-helix	trans	-62.7	-31.9	179.9	-64.5	-16	0	0	0	111.9	R279 I289 L290 L310	R279-D286 IonicContact CZ-OD1 3.91Å; R279-D286 IonicContact NH1-OD1 2.72Å; R279-D286 IonicContact NH2-OD1 2.84Å; R279-D286 PolarHBondContact NH2-OD1 3.38Å; R279-D286 IonicContact NH2-OD2 2.84Å; D286-I289 PolarHBondContact O-N 3.46Å; D286-L290 WeakPolarHBondContact O-CG 3.45Å; D286-L290 PolarHBondContact O-N 2.89Å; D286-L310 HydrophobicContact CB-CD2 4.42Å
287	R	91	Very high	91.2	Very high	185 Å²	185	35.2 Å²	35.2	70%	0.698	18%	0.184	S	C	*	.	H	α-helix	trans	-59.4	-51.4	173.5	-177.8	175.7	-179.4	153.3	2.6	110.9	A285 I289 L290 D291	A285-R287 PolarHBondContact O-N 3.18Å; R287-I289 VanDerWaalsContact C-N 3.28Å; R287-I289 PolarHBondContact O-N 3.32Å; R287-L290 CarbonylContact O-C 3.58Å; R287-L290 WeakPolarHBondContact O-CB 3.48Å; R287-L290 PolarHBondContact O-N 2.77Å; R287-L290 VanDerWaalsContact O-N 3.07Å; R287-D291 PolarHBondContact O-N 3.43Å
288	D	90.6	Very high	90.8	Very high	68 Å²	68	42.1 Å²	42.1	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-59.6	-41.8	178.6	-54.2	-3.2	0	0	0	110.5	F283 A285 L290 D291 H292	F283-D288 HydrophobicContact CD1-CB 4.23Å; A285-D288 HydrophobicContact CB-CB 4.32Å; A285-D288 PolarHBondContact O-N 3Å; A285-D288 VanDerWaalsContact O-N 3.16Å; D288-L290 VanDerWaalsContact C-N 3.32Å; D288-L290 PolarHBondContact O-N 2.74Å; D288-D291 WeakPolarHBondContact O-CB 3.46Å; D288-D291 PolarHBondContact O-N 2.92Å; D288-H292 PolarHBondContact O-N 3.04Å; D288-H292 PolarHBondContact O-ND1 3.27Å
289	I	92.3	Very high	90.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-44	176.8	-60.5	175.1	0	0	0	111	M275 F278 R279 F283 A285 D286 R287 H292 I293	M275-I289 HydrophobicContact SD-CG2 3.58Å; M275-I289 VanDerWaalsContact SD-CG2 3.58Å; F278-I289 HydrophobicContact CB-CD1 3.93Å; F278-I289 HydrophobicContact CB-CG1 3.88Å; F278-I289 HydrophobicContact CB-CG2 3.94Å; F278-I289 HydrophobicContact CD1-CG2 4.23Å; F278-I289 HydrophobicContact CD2-CG2 3.78Å; F278-I289 HydrophobicContact CE2-CG2 4.32Å; F278-I289 HydrophobicContact CG-CG1 4.43Å; F278-I289 HydrophobicContact CG-CG2 3.73Å; R279-I289 HydrophobicContact CG-CD1 4.17Å; F283-I289 HydrophobicContact CB-CG1 3.98Å; A285-I289 WeakPolarHBondContact O-CG1 3.48Å; A285-I289 PolarHBondContact O-N 3.47Å; A285-I289 VanDerWaalsContact O-N 3.12Å; D286-I289 PolarHBondContact O-N 3.46Å; R287-I289 VanDerWaalsContact C-N 3.28Å; R287-I289 PolarHBondContact O-N 3.32Å; I289-H292 PolarHBondContact O-N 3.21Å; I289-I293 HydrophobicContact CG2-CD1 4Å; I289-I293 WeakPolarHBondContact O-CG1 3.45Å; I289-I293 PolarHBondContact O-N 2.64Å
290	L	92.5	Very high	90.4	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-38.8	177.9	-72	168.9	0	0	0	112	D286 R287 D288 H292 I293 I294 F297 M303 V306 L310	D286-L290 WeakPolarHBondContact O-CG 3.45Å; D286-L290 PolarHBondContact O-N 2.89Å; R287-L290 CarbonylContact O-C 3.58Å; R287-L290 WeakPolarHBondContact O-CB 3.48Å; R287-L290 PolarHBondContact O-N 2.77Å; R287-L290 VanDerWaalsContact O-N 3.07Å; D288-L290 VanDerWaalsContact C-N 3.32Å; D288-L290 PolarHBondContact O-N 2.74Å; L290-H292 PolarHBondContact O-N 3.17Å; L290-H292 VanDerWaalsContact O-N 3.17Å; L290-I293 PolarHBondContact O-N 3.01Å; L290-I294 HydrophobicContact CD2-CD1 4.29Å; L290-I294 PolarHBondContact O-N 2.65Å; L290-F297 HydrophobicContact CB-CE1 3.84Å; L290-F297 HydrophobicContact CB-CZ 4.1Å; L290-M303 HydrophobicContact CD1-CE 3.96Å; L290-M303 HydrophobicContact CD1-SD 4.4Å; L290-M303 HydrophobicContact CD2-SD 4.22Å; L290-V306 HydrophobicContact CD2-CG1 3.94Å; L290-L310 HydrophobicContact CD1-CD1 4.12Å; L290-L310 HydrophobicContact CD2-CD1 4.15Å; L290-L310 HydrophobicContact CG-CD1 4.34Å
291	D	90.6	Very high	90.3	Very high	25 Å²	25	52.3 Å²	52.3	13%	0.134	28%	0.278	C	S	.	.	H	α-helix	trans	-56.3	-31.7	175.7	-74.8	-44.7	0	0	0	111.9	R287 D288 F297 P563	R287-D291 PolarHBondContact O-N 3.43Å; D288-D291 WeakPolarHBondContact O-CB 3.46Å; D288-D291 PolarHBondContact O-N 2.92Å; D291-F297 HydrophobicContact CB-CZ 4.45Å; D291-F297 WeakPolarHBondContact OD1-CE2 3.49Å; D291-F297 WeakPolarHBondContact OD1-CZ 3.5Å; D291-P563 HydrophobicContact CB-CB 3.81Å; D291-P563 HydrophobicContact CB-CG 4.01Å
292	H	90.5	Very high	90.2	Very high	11 Å²	11	52.3 Å²	52.3	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-80.7	-23.2	176.8	-67.3	78	0	0	0	113.5	F278 F283 D288 I289 L290 F368 G371	F278-H292 HydrophobicContact CE1-CB 4.1Å; F283-H292 AromaticContact CD1-CE1 3.67Å; F283-H292 AromaticContact CE1-CE1 3.31Å; F283-H292 WeakPolarHBondContact CE1-CE1 3.47Å; F283-H292 AromaticContact CE1-NE2 3.56Å; F283-H292 AromaticContact CZ-CE1 3.8Å; F283-H292 AromaticContact CZ-NE2 3.58Å; D288-H292 PolarHBondContact O-N 3.04Å; D288-H292 PolarHBondContact O-ND1 3.27Å; I289-H292 PolarHBondContact O-N 3.21Å; L290-H292 PolarHBondContact O-N 3.17Å; L290-H292 VanDerWaalsContact O-N 3.17Å; H292-F368 AromaticContact CD2-CD1 3.62Å; H292-F368 AromaticContact CD2-CD2 3.83Å; H292-F368 AromaticContact CD2-CE1 3.73Å; H292-F368 AromaticContact CD2-CE2 3.94Å; H292-F368 AromaticContact CD2-CG 3.67Å; H292-F368 AromaticContact CD2-CZ 3.89Å; H292-F368 AromaticContact NE2-CD2 3.99Å; H292-F368 AromaticContact NE2-CE2 3.73Å; H292-F368 AromaticContact NE2-CZ 3.8Å; H292-G371 CarbonylContact O-C 3.44Å; H292-G371 VanDerWaalsContact O-CA 3.26Å; H292-G371 WeakPolarHBondContact O-CA 3.42Å
293	I	92.4	Very high	90.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-97.1	-44.2	-176.9	-60.8	168.4	0	0	0	111.2	M275 F278 I289 L290 V374 H375 L378	M275-I293 HydrophobicContact CE-CD1 3.96Å; M275-I293 HydrophobicContact SD-CD1 4.32Å; F278-I293 HydrophobicContact CE2-CD1 3.9Å; F278-I293 HydrophobicContact CE2-CG1 4.1Å; F278-I293 HydrophobicContact CZ-CD1 4.27Å; F278-I293 HydrophobicContact CZ-CG1 3.97Å; I289-I293 HydrophobicContact CG2-CD1 4Å; I289-I293 WeakPolarHBondContact O-CG1 3.45Å; I289-I293 PolarHBondContact O-N 2.64Å; L290-I293 PolarHBondContact O-N 3.01Å; I293-V374 HydrophobicContact CD1-CG1 4.36Å; I293-V374 HydrophobicContact CG1-CB 4.44Å; I293-V374 HydrophobicContact CG1-CG1 4.45Å; I293-V374 HydrophobicContact CG2-CB 4.06Å; I293-V374 HydrophobicContact CG2-CG1 3.64Å; I293-H375 WeakPolarHBondContact O-CB 3.45Å; I293-H375 PolarHBondContact O-ND1 3.44Å; I293-L378 HydrophobicContact CG2-CD1 3.85Å
294	I	91.5	Very high	90	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	29%	0.294	C	S	.	.			trans	-121.9	105.7	-171.6	-53.7	179.5	0	0	0	107.3	L290 D296 M302 M303 V306	L290-I294 HydrophobicContact CD2-CD1 4.29Å; L290-I294 PolarHBondContact O-N 2.65Å; I294-D296 VanDerWaalsContact C-N 3.27Å; I294-D296 WeakPolarHBondContact CG2-O 3.48Å; I294-D296 PolarHBondContact O-N 2.88Å; I294-M302 HydrophobicContact CB-SD 4.45Å; I294-M302 HydrophobicContact CD1-CB 4.21Å; I294-M302 HydrophobicContact CD1-CG 3.74Å; I294-M302 HydrophobicContact CD1-SD 4.25Å; I294-M302 HydrophobicContact CG1-CG 3.98Å; I294-M302 HydrophobicContact CG1-SD 3.8Å; I294-M302 HydrophobicContact CG2-SD 4.18Å; I294-M303 HydrophobicContact CD1-CG 4.07Å; I294-M303 HydrophobicContact CD1-SD 3.52Å; I294-M303 VanDerWaalsContact CD1-SD 3.52Å; I294-V306 HydrophobicContact CD1-CG2 4.21Å
295	Y	87.2	Confident	89.9	Confident	13 Å²	13	55.4 Å²	55.4	5%	0.051	28%	0.28	C	S	.	.	S	Bend	trans	-76.7	-17.2	-179.3	-46.2	-59.8	0	0	0	112.9	I566 W578	Y295-I566 HydrophobicContact CD1-CB 4.07Å; Y295-I566 HydrophobicContact CD1-CD1 4.38Å; Y295-I566 HydrophobicContact CD1-CG2 3.75Å; Y295-I566 HydrophobicContact CD2-CG2 4.29Å; Y295-I566 HydrophobicContact CE1-CD1 4.43Å; Y295-I566 HydrophobicContact CE1-CG2 4.01Å; Y295-I566 HydrophobicContact CG-CB 4.32Å; Y295-I566 HydrophobicContact CG-CG2 3.9Å; Y295-W578 AromaticContact CE1-CH2 3.99Å; Y295-W578 HydrophobicContact CE1-CH2 3.99Å; Y295-W578 AromaticContact CZ-CH2 3.89Å; Y295-W578 WeakPolarHBondContact OH-CH2 3.4Å; Y295-W578 WeakPolarHBondContact OH-CZ3 3.43Å
296	D	86.1	Confident	89.9	Confident	82 Å²	82	53.2 Å²	53.2	44%	0.439	26%	0.262	S	S	.	.			trans	-125	102.4	-178.9	-175.8	5	0	0	0	110.3	I294 D298 D299	I294-D296 VanDerWaalsContact C-N 3.27Å; I294-D296 WeakPolarHBondContact CG2-O 3.48Å; I294-D296 PolarHBondContact O-N 2.88Å; D296-D298 PolarHBondContact O-N 3.38Å; D296-D298 WeakPolarHBondContact OD1-CB 3.2Å; D296-D298 PolarHBondContact OD1-N 3.28Å; D296-D299 PolarHBondContact O-N 3.18Å
297	F	85.4	Confident	89.9	Confident	82 Å²	82	54.7 Å²	54.7	36%	0.36	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-10	-179.4	-74.3	-85.5	0	0	0	113.7	L290 D291 D299 M303	L290-F297 HydrophobicContact CB-CE1 3.84Å; L290-F297 HydrophobicContact CB-CZ 4.1Å; D291-F297 HydrophobicContact CB-CZ 4.45Å; D291-F297 WeakPolarHBondContact OD1-CE2 3.49Å; D291-F297 WeakPolarHBondContact OD1-CZ 3.5Å; F297-D299 PolarHBondContact O-N 2.9Å; F297-M303 HydrophobicContact CD1-CE 4.23Å; F297-M303 HydrophobicContact CD1-SD 4.15Å; F297-M303 HydrophobicContact CE1-SD 4.43Å
298	D	87	Confident	89.8	Confident	145 Å²	145	47 Å²	47	78%	0.775	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.8	177.9	-63.7	-26.9	0	0	0	112.1	D296 P300	D296-D298 PolarHBondContact O-N 3.38Å; D296-D298 WeakPolarHBondContact OD1-CB 3.2Å; D296-D298 PolarHBondContact OD1-N 3.28Å; D298-P300 WeakPolarHBondContact O-CD 3.39Å
299	D	89.1	Confident	89.8	Confident	23 Å²	23	43.8 Å²	43.8	12%	0.123	22%	0.222	C	C	.	.			trans	-95.3	91.4	176.1	-178.3	11.5	0	0	0	113.1	D296 F297 E301 M302 M303 R384	D296-D299 PolarHBondContact O-N 3.18Å; F297-D299 PolarHBondContact O-N 2.9Å; D299-E301 PolarHBondContact O-N 3.31Å; D299-E301 PolarHBondContact OD1-N 3.07Å; D299-M302 PolarHBondContact OD1-N 3.41Å; D299-M302 WeakPolarHBondContact OD2-CB 3.23Å; D299-M303 WeakPolarHBondContact O-CG 2.9Å; D299-M303 PolarHBondContact O-N 3.26Å; D299-R384 VanDerWaalsContact CG-NH2 3.26Å; D299-R384 IonicContact OD1-CZ 2.64Å; D299-R384 IonicContact OD1-NH1 2.78Å; D299-R384 IonicContact OD1-NH2 3.5Å; D299-R384 PolarHBondContact OD1-NH2 2.52Å; D299-R384 IonicContact OD2-CZ 3.83Å; D299-R384 IonicContact OD2-NH1 3.35Å; D299-R384 PolarHBondContact OD2-NH1 3.06Å; D299-R384 IonicContact OD2-NH2 3.5Å; D299-R384 PolarHBondContact OD2-NH2 3.14Å
300	P	91.3	Very high	89.7	Confident	99 Å²	99	45.1 Å²	45.1	64%	0.643	23%	0.23	S	C	*	.	H	α-helix	trans	-67.8	-24.9	-178.1	28.8	-37.3	0	0	0	113	D298 M303 E304	D298-P300 WeakPolarHBondContact O-CD 3.39Å; P300-M303 PolarHBondContact O-N 3.12Å; P300-E304 WeakPolarHBondContact O-CB 3.43Å; P300-E304 PolarHBondContact O-N 3.42Å
301	E	91.3	Very high	89.5	Confident	102 Å²	102	49.3 Å²	49.3	48%	0.477	25%	0.252	S	S	.	.	H	α-helix	trans	-70.3	-44.4	-175.4	-169.5	-173.8	-156.9	0	0	110.9	D299 M305 L382 R384	D299-E301 PolarHBondContact O-N 3.31Å; D299-E301 PolarHBondContact OD1-N 3.07Å; E301-M305 PolarHBondContact O-N 3.19Å; E301-L382 HydrophobicContact CG-CD1 4.48Å; E301-L382 HydrophobicContact CG-CD2 3.67Å; E301-R384 IonicContact OE2-CZ 3.41Å; E301-R384 IonicContact OE2-NE 3.52Å; E301-R384 IonicContact OE2-NH2 3.27Å; E301-R384 PolarHBondContact OE2-NH2 2.76Å
302	M	90.3	Very high	89.3	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-67.5	-38.3	175.9	-167.6	173.7	-62.5	0	0	111.4	I294 D299 M305 V306 L378 L379 L382	I294-M302 HydrophobicContact CB-SD 4.45Å; I294-M302 HydrophobicContact CD1-CB 4.21Å; I294-M302 HydrophobicContact CD1-CG 3.74Å; I294-M302 HydrophobicContact CD1-SD 4.25Å; I294-M302 HydrophobicContact CG1-CG 3.98Å; I294-M302 HydrophobicContact CG1-SD 3.8Å; I294-M302 HydrophobicContact CG2-SD 4.18Å; D299-M302 PolarHBondContact OD1-N 3.41Å; D299-M302 WeakPolarHBondContact OD2-CB 3.23Å; M302-M305 PolarHBondContact O-N 3.47Å; M302-V306 WeakPolarHBondContact O-CG2 3.35Å; M302-V306 PolarHBondContact O-N 3.29Å; M302-V306 VanDerWaalsContact O-N 3.16Å; M302-L378 HydrophobicContact CE-CB 4.36Å; M302-L378 HydrophobicContact CG-CB 4.16Å; M302-L378 HydrophobicContact CG-CD1 3.7Å; M302-L378 HydrophobicContact CG-CG 4.41Å; M302-L378 HydrophobicContact SD-CB 4.28Å; M302-L378 HydrophobicContact SD-CD1 4.03Å; M302-L379 HydrophobicContact CE-CD2 3.83Å; M302-L379 HydrophobicContact CE-CG 4.45Å; M302-L382 HydrophobicContact CB-CD1 4.19Å; M302-L382 HydrophobicContact CE-CD1 4.19Å
303	M	89.4	Confident	89.3	Confident	58 Å²	58	49.9 Å²	49.9	29%	0.286	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-46.9	175.9	-70.9	-71.8	-72	0	0	112.3	L290 I294 F297 D299 P300 M305 V306 K307	L290-M303 HydrophobicContact CD1-CE 3.96Å; L290-M303 HydrophobicContact CD1-SD 4.4Å; L290-M303 HydrophobicContact CD2-SD 4.22Å; I294-M303 HydrophobicContact CD1-CG 4.07Å; I294-M303 HydrophobicContact CD1-SD 3.52Å; I294-M303 VanDerWaalsContact CD1-SD 3.52Å; F297-M303 HydrophobicContact CD1-CE 4.23Å; F297-M303 HydrophobicContact CD1-SD 4.15Å; F297-M303 HydrophobicContact CE1-SD 4.43Å; D299-M303 WeakPolarHBondContact O-CG 2.9Å; D299-M303 PolarHBondContact O-N 3.26Å; P300-M303 PolarHBondContact O-N 3.12Å; M303-M305 VanDerWaalsContact C-N 3.26Å; M303-M305 PolarHBondContact O-N 2.89Å; M303-V306 PolarHBondContact O-N 3.19Å; M303-K307 PolarHBondContact O-N 2.95Å
304	E	89.1	Confident	89.2	Confident	115 Å²	115	56.2 Å²	56.2	54%	0.537	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-30.3	179	-169.6	62.2	-155.9	0	0	111.8	P300 K307 P308	P300-E304 WeakPolarHBondContact O-CB 3.43Å; P300-E304 PolarHBondContact O-N 3.42Å; E304-K307 IonicContact OE1-NZ 2.64Å; E304-K307 PolarHBondContact OE1-NZ 3.08Å; E304-K307 WeakPolarHBondContact OE2-CD 3.49Å; E304-K307 IonicContact OE2-NZ 3.91Å; E304-K307 PolarHBondContact OE2-NZ 2.93Å; E304-K307 VanDerWaalsContact OE2-NZ 3.13Å; E304-P308 VanDerWaalsContact O-CD 3.3Å; E304-P308 WeakPolarHBondContact O-CD 3.47Å
305	M	88.4	Confident	89.1	Confident	26 Å²	26	61.9 Å²	61.9	13%	0.128	32%	0.316	C	S	.	.	H	α-helix	trans	-70.3	-32.9	175.3	-170.6	171.7	-75.7	0	0	113	M244 E301 M302 M303 L378 A381 L382	M244-M305 HydrophobicContact CE-CG 4.05Å; M244-M305 HydrophobicContact CE-SD 3.56Å; M244-M305 VanDerWaalsContact CE-SD 3.56Å; M244-M305 HydrophobicContact SD-SD 4.49Å; E301-M305 PolarHBondContact O-N 3.19Å; M302-M305 PolarHBondContact O-N 3.47Å; M303-M305 VanDerWaalsContact C-N 3.26Å; M303-M305 PolarHBondContact O-N 2.89Å; M305-L378 HydrophobicContact CB-CD2 4.2Å; M305-L378 HydrophobicContact CG-CD2 3.74Å; M305-L378 HydrophobicContact SD-CD2 3.56Å; M305-L378 VanDerWaalsContact SD-CD2 3.56Å; M305-A381 HydrophobicContact CE-CB 4.33Å; M305-A381 HydrophobicContact SD-CB 3.86Å; M305-L382 HydrophobicContact CE-CD2 3.33Å; M305-L382 HydrophobicContact CE-CG 3.96Å; M305-L382 HydrophobicContact SD-CD2 4.18Å; M305-L382 HydrophobicContact SD-CG 4.24Å
306	V	91	Very high	89.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-82.8	-31.2	-178.9	174.6	0	0	0	0	112.5	M275 L290 I294 M302 M303 S309 L310 L378	M275-V306 HydrophobicContact CE-CG1 3.23Å; L290-V306 HydrophobicContact CD2-CG1 3.94Å; I294-V306 HydrophobicContact CD1-CG2 4.21Å; M302-V306 WeakPolarHBondContact O-CG2 3.35Å; M302-V306 PolarHBondContact O-N 3.29Å; M302-V306 VanDerWaalsContact O-N 3.16Å; M303-V306 PolarHBondContact O-N 3.19Å; V306-S309 WeakPolarHBondContact O-CA 3.32Å; V306-S309 VanDerWaalsContact O-CB 3.31Å; V306-S309 WeakPolarHBondContact O-CB 3.19Å; V306-S309 PolarHBondContact O-N 3.15Å; V306-L310 HydrophobicContact CG1-CG 4.48Å; V306-L310 PolarHBondContact O-N 3.01Å; V306-L378 HydrophobicContact CG2-CD1 3.43Å; V306-L378 VanDerWaalsContact CG2-CD1 3.43Å; V306-L378 HydrophobicContact CG2-CD2 3.96Å; V306-L378 HydrophobicContact CG2-CG 4.35Å
307	K	90.5	Very high	89.4	Confident	93 Å²	93	62.8 Å²	62.8	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-48.1	-45.1	-177	178.1	-176.5	175.9	-170.2	0	115.6	M303 E304 S309 L310 D311	M303-K307 PolarHBondContact O-N 2.95Å; E304-K307 IonicContact OE1-NZ 2.64Å; E304-K307 PolarHBondContact OE1-NZ 3.08Å; E304-K307 WeakPolarHBondContact OE2-CD 3.49Å; E304-K307 IonicContact OE2-NZ 3.91Å; E304-K307 PolarHBondContact OE2-NZ 2.93Å; E304-K307 VanDerWaalsContact OE2-NZ 3.13Å; K307-S309 PolarHBondContact O-N 2.8Å; K307-L310 WeakPolarHBondContact O-CB 2.95Å; K307-L310 PolarHBondContact O-N 3.3Å; K307-D311 PolarHBondContact O-N 3.05Å
308	P	89.3	Confident	89.8	Confident	22 Å²	22	64.8 Å²	64.8	14%	0.143	33%	0.329	C	S	.	.	H	α-helix	trans	-58	-26.3	176.1	-25.1	33.9	0	0	0	114.4	R260 E304 E312	R260-P308 HydrophobicContact CG-CB 4.39Å; E304-P308 VanDerWaalsContact O-CD 3.3Å; E304-P308 WeakPolarHBondContact O-CD 3.47Å; P308-E312 PolarHBondContact O-N 3.24Å
309	S	90.3	Very high	90.1	Very high	1 Å²	1	61 Å²	61	1%	0.007	31%	0.306	C	S	.	.	H	α-helix	trans	-82.7	-28.1	178	-53.4	0	0	0	0	112.4	I261 M275 V306 K307	I261-S309 PolarHBondContact N-OG 3.27Å; M275-S309 WeakPolarHBondContact CG-O 3.5Å; V306-S309 WeakPolarHBondContact O-CA 3.32Å; V306-S309 VanDerWaalsContact O-CB 3.31Å; V306-S309 WeakPolarHBondContact O-CB 3.19Å; V306-S309 PolarHBondContact O-N 3.15Å; K307-S309 PolarHBondContact O-N 2.8Å
310	L	90	Very high	90.3	Very high	29 Å²	29	64 Å²	64	15%	0.152	32%	0.323	C	S	.	.	H	α-helix	trans	-68.8	-46.8	170.8	-71.9	169.9	0	0	0	110.6	M275 D286 L290 V306 K307 E312 A313 F314	M275-L310 HydrophobicContact CE-CD2 3.83Å; M275-L310 HydrophobicContact CE-CG 3.94Å; M275-L310 HydrophobicContact CG-CD2 3.97Å; M275-L310 HydrophobicContact SD-CD2 3.71Å; M275-L310 HydrophobicContact SD-CG 4.43Å; D286-L310 HydrophobicContact CB-CD2 4.42Å; L290-L310 HydrophobicContact CD1-CD1 4.12Å; L290-L310 HydrophobicContact CD2-CD1 4.15Å; L290-L310 HydrophobicContact CG-CD1 4.34Å; V306-L310 HydrophobicContact CG1-CG 4.48Å; V306-L310 PolarHBondContact O-N 3.01Å; K307-L310 WeakPolarHBondContact O-CB 2.95Å; K307-L310 PolarHBondContact O-N 3.3Å; L310-E312 VanDerWaalsContact C-N 3.26Å; L310-E312 PolarHBondContact O-N 3.07Å; L310-A313 PolarHBondContact O-N 3.35Å; L310-F314 PolarHBondContact O-N 3.46Å; L310-F314 VanDerWaalsContact O-N 3.17Å
311	D	89.3	Confident	90.4	Very high	104 Å²	104	61.8 Å²	61.8	56%	0.556	31%	0.307	S	S	*	.	H	α-helix	trans	-58	-38.3	178.7	-67.1	-22.5	0	0	0	112	K307 A313 F314	K307-D311 PolarHBondContact O-N 3.05Å; D311-A313 VanDerWaalsContact C-N 3.31Å; D311-A313 PolarHBondContact O-N 3.11Å; D311-F314 WeakPolarHBondContact O-CB 3.44Å
312	E	86.8	Confident	90.5	Very high	49 Å²	49	57 Å²	57	23%	0.229	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-33	177.1	-176.8	171.2	-138	0	0	112.7	R260 P273 P308 L310	R260-E312 WeakPolarHBondContact CD-OE2 3.39Å; R260-E312 IonicContact CZ-OE1 3.93Å; R260-E312 IonicContact NH1-OE1 3.62Å; R260-E312 PolarHBondContact NH1-OE1 2.88Å; P273-E312 HydrophobicContact CG-CG 4.31Å; P308-E312 PolarHBondContact O-N 3.24Å; L310-E312 VanDerWaalsContact C-N 3.26Å; L310-E312 PolarHBondContact O-N 3.07Å
313	A	89.3	Confident	90.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-91.6	-4.8	-176.2	0	0	0	0	0	114.2	M275 I276 L310 D311 V315 I316	M275-A313 HydrophobicContact CB-CB 3.41Å; M275-A313 VanDerWaalsContact CB-CB 3.41Å; M275-A313 HydrophobicContact CG-CB 4.27Å; I276-A313 HydrophobicContact CG1-CB 3.98Å; L310-A313 PolarHBondContact O-N 3.35Å; D311-A313 VanDerWaalsContact C-N 3.31Å; D311-A313 PolarHBondContact O-N 3.11Å; A313-V315 PolarHBondContact O-N 3.23Å; A313-I316 PolarHBondContact O-N 3.02Å; A313-I316 VanDerWaalsContact O-N 3.09Å
314	F	90.3	Very high	90.9	Very high	133 Å²	133	56.1 Å²	56.1	58%	0.583	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-27.8	-179.7	-174.1	-99.2	0	0	0	113.7	L310 D311 I316	L310-F314 PolarHBondContact O-N 3.46Å; L310-F314 VanDerWaalsContact O-N 3.17Å; D311-F314 WeakPolarHBondContact O-CB 3.44Å; F314-I316 PolarHBondContact O-N 3.25Å
315	V	90.5	Very high	91.1	Very high	120 Å²	120	52.9 Å²	52.9	73%	0.727	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.3	179.4	-68.9	0	0	0	0	114.9	A313	A313-V315 PolarHBondContact O-N 3.23Å
316	I	90.6	Very high	91.3	Very high	9 Å²	9	51.7 Å²	51.7	5%	0.046	26%	0.259	C	S	.	.			trans	-124.2	115.8	-179.5	-64.4	172.1	0	0	0	107.6	I276 R279 A313 F314 V321 A322 F325	I276-I316 HydrophobicContact CD1-CD1 3.9Å; I276-I316 HydrophobicContact CG1-CD1 4.32Å; I276-I316 HydrophobicContact CG2-CD1 4.31Å; R279-I316 WeakPolarHBondContact CD-O 3.48Å; R279-I316 PolarHBondContact NE-O 3.29Å; A313-I316 PolarHBondContact O-N 3.02Å; A313-I316 VanDerWaalsContact O-N 3.09Å; F314-I316 PolarHBondContact O-N 3.25Å; I316-V321 HydrophobicContact CG1-CG1 4.14Å; I316-V321 HydrophobicContact CG2-CB 4.07Å; I316-V321 HydrophobicContact CG2-CG1 3.94Å; I316-A322 HydrophobicContact CG2-CB 3.86Å; I316-F325 HydrophobicContact CD1-CB 3.87Å; I316-F325 HydrophobicContact CD1-CD1 4.29Å; I316-F325 HydrophobicContact CD1-CD2 3.47Å; I316-F325 VanDerWaalsContact CD1-CD2 3.47Å; I316-F325 HydrophobicContact CD1-CE2 3.92Å; I316-F325 HydrophobicContact CD1-CG 3.65Å; I316-F325 HydrophobicContact CD1-CZ 4.48Å
317	Q	89.1	Confident	91.4	Very high	106 Å²	106	51.7 Å²	51.7	50%	0.495	26%	0.259	S	S	.	.			trans	-111.4	-18.4	179.3	-64.5	-178.6	-11	0	0	112.7	V284	V284-Q317 WeakPolarHBondContact CG1-O 3.33Å
318	E	92.4	Very high	91.4	Very high	124 Å²	124	49.5 Å²	49.5	58%	0.579	26%	0.259	S	S	*	.	S	Bend	trans	-102.3	142.7	-178.6	-64.7	-178.6	179.5	0	0	113.2	N320 V321 A322	E318-N320 PolarHBondContact O-N 2.78Å; E318-V321 HydrophobicContact CB-CB 4.26Å; E318-V321 HydrophobicContact CB-CG2 3.94Å; E318-V321 PolarHBondContact O-N 3.38Å; E318-A322 PolarHBondContact O-N 3.12Å
319	Q	93.2	Very high	91.4	Very high	64 Å²	64	51.5 Å²	51.5	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-57.2	-46.1	176.1	-175.7	-176.5	23.2	0	0	112.5	R279 A280 V321 A322 L323	R279-Q319 WeakPolarHBondContact O-CA 3.25Å; R279-Q319 WeakPolarHBondContact O-CB 3.27Å; R279-Q319 WeakPolarHBondContact O-CG 3.42Å; A280-Q319 WeakPolarHBondContact O-CG 3.46Å; A280-Q319 PolarHBondContact O-NE2 3.12Å; Q319-V321 VanDerWaalsContact C-N 3.26Å; Q319-V321 PolarHBondContact O-N 3.36Å; Q319-A322 WeakPolarHBondContact O-CB 3.44Å; Q319-A322 PolarHBondContact O-N 3.45Å; Q319-A322 VanDerWaalsContact O-N 3.14Å; Q319-L323 HydrophobicContact CG-CD1 4.04Å; Q319-L323 HydrophobicContact CG-CG 4.38Å; Q319-L323 WeakPolarHBondContact O-CG 3.49Å; Q319-L323 PolarHBondContact O-N 2.9Å
320	N	93.5	Very high	91.1	Very high	88 Å²	88	52.2 Å²	52.2	47%	0.471	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-33.6	-179.1	-76.3	-35.5	0	0	0	112.6	E318 N324 I341	E318-N320 PolarHBondContact O-N 2.78Å; N320-N324 WeakPolarHBondContact O-CB 3.21Å; N320-N324 PolarHBondContact O-N 2.87Å; N320-I341 HydrophobicContact CB-CD1 4.43Å
321	V	94.4	Very high	90.7	Very high	52 Å²	52	51.8 Å²	51.8	32%	0.315	27%	0.272	S	S	.	.	H	α-helix	trans	-72	-41	175.6	-179.6	0	0	0	0	110	I316 E318 Q319 N324 F325	I316-V321 HydrophobicContact CG1-CG1 4.14Å; I316-V321 HydrophobicContact CG2-CB 4.07Å; I316-V321 HydrophobicContact CG2-CG1 3.94Å; E318-V321 HydrophobicContact CB-CB 4.26Å; E318-V321 HydrophobicContact CB-CG2 3.94Å; E318-V321 PolarHBondContact O-N 3.38Å; Q319-V321 VanDerWaalsContact C-N 3.26Å; Q319-V321 PolarHBondContact O-N 3.36Å; V321-N324 PolarHBondContact O-N 3.3Å; V321-F325 WeakPolarHBondContact O-CB 3.49Å; V321-F325 PolarHBondContact O-N 3.34Å
322	A	93.7	Very high	90.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-46.3	173.8	0	0	0	0	0	112.3	I276 R279 A280 I316 E318 Q319 N324 F325 I326	I276-A322 HydrophobicContact CG2-CB 3.99Å; R279-A322 HydrophobicContact CB-CB 4.14Å; A280-A322 HydrophobicContact CB-CB 3.96Å; I316-A322 HydrophobicContact CG2-CB 3.86Å; E318-A322 PolarHBondContact O-N 3.12Å; Q319-A322 WeakPolarHBondContact O-CB 3.44Å; Q319-A322 PolarHBondContact O-N 3.45Å; Q319-A322 VanDerWaalsContact O-N 3.14Å; A322-N324 VanDerWaalsContact C-N 3.34Å; A322-N324 PolarHBondContact O-N 3.09Å; A322-F325 WeakPolarHBondContact O-CB 3.44Å; A322-F325 PolarHBondContact O-N 3.35Å; A322-F325 VanDerWaalsContact O-N 3.08Å; A322-I326 WeakPolarHBondContact O-CG1 3.49Å; A322-I326 PolarHBondContact O-N 2.95Å
323	L	94.2	Very high	90.2	Very high	6 Å²	6	61 Å²	61	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-41.5	175.5	-72.8	171.5	0	0	0	111.8	A280 Q319 F325 I326 G327 I341 A344 L348	A280-L323 HydrophobicContact CB-CD2 4.06Å; A280-L323 HydrophobicContact CB-CG 4.36Å; Q319-L323 HydrophobicContact CG-CD1 4.04Å; Q319-L323 HydrophobicContact CG-CG 4.38Å; Q319-L323 WeakPolarHBondContact O-CG 3.49Å; Q319-L323 PolarHBondContact O-N 2.9Å; L323-F325 VanDerWaalsContact C-N 3.33Å; L323-F325 PolarHBondContact O-N 3.4Å; L323-I326 PolarHBondContact O-N 3.22Å; L323-G327 PolarHBondContact O-N 3.48Å; L323-I341 HydrophobicContact CB-CB 4.43Å; L323-I341 HydrophobicContact CB-CG1 4.21Å; L323-I341 HydrophobicContact CB-CG2 4.06Å; L323-I341 HydrophobicContact CD1-CG2 3.89Å; L323-A344 HydrophobicContact CB-CB 4.34Å; L323-A344 HydrophobicContact CD2-CB 4.01Å; L323-A344 VanDerWaalsContact O-CB 3.23Å; L323-A344 WeakPolarHBondContact O-CB 3.18Å; L323-L348 HydrophobicContact CD2-CD1 3.71Å
324	N	93.2	Very high	89.7	Confident	38 Å²	38	64.6 Å²	64.6	20%	0.203	35%	0.351	C	S	.	.	H	α-helix	trans	-65.8	-35.6	174	-179.5	54.2	0	0	0	112.1	N320 V321 A322 G327 A328 K337 I341	N320-N324 WeakPolarHBondContact O-CB 3.21Å; N320-N324 PolarHBondContact O-N 2.87Å; V321-N324 PolarHBondContact O-N 3.3Å; A322-N324 VanDerWaalsContact C-N 3.34Å; A322-N324 PolarHBondContact O-N 3.09Å; N324-G327 PolarHBondContact O-N 3.26Å; N324-A328 VanDerWaalsContact O-CB 3.24Å; N324-A328 WeakPolarHBondContact O-CB 3.32Å; N324-A328 PolarHBondContact O-N 3.01Å; N324-K337 HydrophobicContact CB-CG 4.36Å; N324-I341 HydrophobicContact CB-CD1 4.47Å; N324-I341 HydrophobicContact CB-CG1 4.09Å
325	F	92.8	Very high	89.5	Confident	47 Å²	47	60.7 Å²	60.7	21%	0.206	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-39.2	176.6	-177.9	-88.4	0	0	0	112.4	I272 I276 I316 V321 A322 L323 R329	I272-F325 HydrophobicContact CG2-CE1 4.48Å; I276-F325 HydrophobicContact CD1-CD1 4.14Å; I276-F325 HydrophobicContact CD1-CE1 3.59Å; I276-F325 HydrophobicContact CD1-CE2 4.46Å; I276-F325 HydrophobicContact CD1-CZ 3.74Å; I276-F325 HydrophobicContact CG2-CD1 3.86Å; I276-F325 HydrophobicContact CG2-CE1 4.28Å; I316-F325 HydrophobicContact CD1-CB 3.87Å; I316-F325 HydrophobicContact CD1-CD1 4.29Å; I316-F325 HydrophobicContact CD1-CD2 3.47Å; I316-F325 VanDerWaalsContact CD1-CD2 3.47Å; I316-F325 HydrophobicContact CD1-CE2 3.92Å; I316-F325 HydrophobicContact CD1-CG 3.65Å; I316-F325 HydrophobicContact CD1-CZ 4.48Å; V321-F325 WeakPolarHBondContact O-CB 3.49Å; V321-F325 PolarHBondContact O-N 3.34Å; A322-F325 WeakPolarHBondContact O-CB 3.44Å; A322-F325 PolarHBondContact O-N 3.35Å; A322-F325 VanDerWaalsContact O-N 3.08Å; L323-F325 VanDerWaalsContact C-N 3.33Å; L323-F325 PolarHBondContact O-N 3.4Å; F325-R329 VanDerWaalsContact CE2-CZ 3.49Å; F325-R329 VanDerWaalsContact CE2-NH2 3.29Å; F325-R329 WeakPolarHBondContact O-CG 3.46Å; F325-R329 PolarHBondContact O-NH1 3.03Å; F325-R329 VanDerWaalsContact O-NH1 3.1Å
326	I	93.3	Very high	89.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.3	-49.6	172.7	-64	175.9	0	0	0	109.9	I268 I272 A280 A322 L323 A328 R329 G330 A344 L348	I268-I326 HydrophobicContact CD1-CG2 4.03Å; I268-I326 HydrophobicContact CG1-CG2 4.39Å; I272-I326 HydrophobicContact CD1-CB 4.33Å; I272-I326 HydrophobicContact CD1-CG1 3.88Å; I272-I326 HydrophobicContact CD1-CG2 4Å; I272-I326 HydrophobicContact CG2-CG1 4.38Å; A280-I326 HydrophobicContact CB-CD1 3.58Å; A322-I326 WeakPolarHBondContact O-CG1 3.49Å; A322-I326 PolarHBondContact O-N 2.95Å; L323-I326 PolarHBondContact O-N 3.22Å; I326-A328 VanDerWaalsContact C-N 3.3Å; I326-A328 PolarHBondContact O-N 3.02Å; I326-R329 WeakPolarHBondContact O-CB 3.49Å; I326-R329 PolarHBondContact O-N 3.42Å; I326-G330 PolarHBondContact O-N 3.22Å; I326-G330 VanDerWaalsContact O-N 3.13Å; I326-A344 HydrophobicContact CB-CB 4.17Å; I326-A344 HydrophobicContact CG2-CB 4.04Å; I326-L348 HydrophobicContact CD1-CD1 4.28Å
327	G	91.8	Very high	89.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-35.7	-178.6	0	0	0	0	0	113.2	L323 N324 R329 G330 A331	L323-G327 PolarHBondContact O-N 3.48Å; N324-G327 PolarHBondContact O-N 3.26Å; G327-R329 PolarHBondContact O-N 2.93Å; G327-G330 PolarHBondContact O-N 3.27Å; G327-A331 WeakPolarHBondContact O-CB 3.41Å; G327-A331 PolarHBondContact O-N 3.26Å
328	A	90.9	Very high	89.5	Confident	48 Å²	48	65.6 Å²	65.6	40%	0.397	36%	0.356	S	S	.	.	H	α-helix	trans	-66.6	-23.5	174.8	0	0	0	0	0	113.6	N324 I326	N324-A328 VanDerWaalsContact O-CB 3.24Å; N324-A328 WeakPolarHBondContact O-CB 3.32Å; N324-A328 PolarHBondContact O-N 3.01Å; I326-A328 VanDerWaalsContact C-N 3.3Å; I326-A328 PolarHBondContact O-N 3.02Å
329	R	90.4	Very high	89.5	Confident	64 Å²	64	66.3 Å²	66.3	24%	0.242	36%	0.357	C	S	.	.	H	α-helix	trans	-91.5	-22.2	178.4	-71.8	177.9	165.4	75	-2.6	113.8	I268 Q270 F325 I326 G327	I268-R329 HydrophobicContact CG2-CB 3.97Å; Q270-R329 HydrophobicContact CB-CB 4.15Å; Q270-R329 HydrophobicContact CB-CG 4.08Å; Q270-R329 HydrophobicContact CG-CG 4.38Å; F325-R329 VanDerWaalsContact CE2-CZ 3.49Å; F325-R329 VanDerWaalsContact CE2-NH2 3.29Å; F325-R329 WeakPolarHBondContact O-CG 3.46Å; F325-R329 PolarHBondContact O-NH1 3.03Å; F325-R329 VanDerWaalsContact O-NH1 3.1Å; I326-R329 WeakPolarHBondContact O-CB 3.49Å; I326-R329 PolarHBondContact O-N 3.42Å; G327-R329 PolarHBondContact O-N 2.93Å
330	G	84.4	Confident	89.3	Confident	15 Å²	15	66.1 Å²	66.1	16%	0.155	35%	0.354	C	S	.	.	H	α-helix	trans	-94.3	-48.1	176.3	0	0	0	0	0	113.6	I326 G327	I326-G330 PolarHBondContact O-N 3.22Å; I326-G330 VanDerWaalsContact O-N 3.13Å; G327-G330 PolarHBondContact O-N 3.27Å
331	A	81.4	Confident	89.3	Confident	21 Å²	21	63.3 Å²	63.3	17%	0.174	34%	0.338	C	S	.	.	S	Bend	trans	-75.9	156.9	-174.1	0	0	0	0	0	112.4	G327 V335 R340 Y343	G327-A331 WeakPolarHBondContact O-CB 3.41Å; G327-A331 PolarHBondContact O-N 3.26Å; A331-V335 HydrophobicContact CB-CG2 4.47Å; A331-R340 HydrophobicContact CB-CG 4.3Å; A331-Y343 HydrophobicContact CB-CD1 4.31Å; A331-Y343 HydrophobicContact CB-CE1 4.46Å
332	R	83	Confident	89.2	Confident	216 Å²	216	68.2 Å²	68.2	82%	0.815	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-63.5	142.3	171.3	-64.3	-178	-176.1	-174.9	0.9	109.7	G334	R332-G334 PolarHBondContact O-N 3.16Å
333	P	80.9	Confident	89.1	Confident	131 Å²	131	72 Å²	72	85%	0.851	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	139.6	170.9	-23.8	32.8	0	0	0	110.8
334	G	79.3	Confident	89	Confident	75 Å²	75	71.8 Å²	71.8	77%	0.773	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.4	-11.9	178.6	0	0	0	0	0	116.1	R332	R332-G334 PolarHBondContact O-N 3.16Å
335	V	85.8	Confident	89	Confident	50 Å²	50	74.4 Å²	74.4	30%	0.303	38%	0.378	S	S	.	.			trans	-72.6	142.3	173.5	-179.1	0	0	0	0	110.4	A331 K339 R340	A331-V335 HydrophobicContact CB-CG2 4.47Å; V335-K339 HydrophobicContact CG1-CB 3.36Å; V335-K339 HydrophobicContact CG1-CD 4.23Å; V335-K339 HydrophobicContact CG1-CG 4.42Å; V335-R340 HydrophobicContact CB-CG 4.24Å; V335-R340 HydrophobicContact CG1-CG 4.13Å; V335-R340 PolarHBondContact O-NE 2.98Å; V335-R340 PolarHBondContact O-NH2 2.85Å
336	T	91	Very high	88.9	Confident	78 Å²	78	76.6 Å²	76.6	48%	0.479	39%	0.389	S	S	.	.			trans	-63.9	156.1	178.7	61.9	0	0	0	0	112.4	E338 K339 R340	T336-E338 VanDerWaalsContact C-N 3.32Å; T336-E338 PolarHBondContact O-N 3.49Å; T336-K339 PolarHBondContact O-N 3.05Å; T336-K339 WeakPolarHBondContact OG1-CG 3.46Å; T336-R340 WeakPolarHBondContact O-CG 3.5Å; T336-R340 PolarHBondContact O-N 3.48Å
337	K	89.5	Confident	88.8	Confident	119 Å²	119	76.9 Å²	76.9	52%	0.517	39%	0.391	S	S	.	.	H	α-helix	trans	-53	-47.8	178.8	-176.4	-177.6	177.3	-174	0	111.8	N324 K339 R340 I341	N324-K337 HydrophobicContact CB-CG 4.36Å; K337-K339 PolarHBondContact O-N 2.83Å; K337-R340 WeakPolarHBondContact O-CB 3.46Å; K337-R340 PolarHBondContact O-N 2.79Å; K337-I341 HydrophobicContact CG-CD1 3.98Å; K337-I341 WeakPolarHBondContact O-CG1 3.43Å; K337-I341 PolarHBondContact O-N 2.89Å
338	E	91.1	Very high	88.8	Confident	142 Å²	142	77.3 Å²	77.3	66%	0.664	39%	0.393	S	S	*	.	H	α-helix	trans	-62	-43.5	-179.4	-65.4	-179.1	173.5	0	0	113.1	T336 R340 I341 K342	T336-E338 VanDerWaalsContact C-N 3.32Å; T336-E338 PolarHBondContact O-N 3.49Å; E338-R340 VanDerWaalsContact C-N 3.3Å; E338-R340 PolarHBondContact O-N 2.96Å; E338-I341 PolarHBondContact O-N 3.3Å; E338-K342 WeakPolarHBondContact O-CG 3.42Å; E338-K342 PolarHBondContact O-N 2.94Å
339	K	90.9	Very high	88.8	Confident	139 Å²	139	76.5 Å²	76.5	60%	0.604	38%	0.381	S	S	*	.	H	α-helix	trans	-65.4	-35.4	177	-75.6	-178.5	-179.8	-178.7	0	111.5	V335 T336 K337 Y343	V335-K339 HydrophobicContact CG1-CB 3.36Å; V335-K339 HydrophobicContact CG1-CD 4.23Å; V335-K339 HydrophobicContact CG1-CG 4.42Å; T336-K339 PolarHBondContact O-N 3.05Å; T336-K339 WeakPolarHBondContact OG1-CG 3.46Å; K337-K339 PolarHBondContact O-N 2.83Å; K339-Y343 VanDerWaalsContact O-CB 3.25Å; K339-Y343 WeakPolarHBondContact O-CB 3.3Å; K339-Y343 PolarHBondContact O-N 3.26Å
340	R	90.9	Very high	88.7	Confident	60 Å²	60	76.5 Å²	76.5	23%	0.226	38%	0.383	C	S	.	.	H	α-helix	trans	-65.5	-42.2	173.2	-69.5	179.7	-156.5	166.4	5.5	112.1	A331 V335 T336 K337 E338 Y343 A344	A331-R340 HydrophobicContact CB-CG 4.3Å; V335-R340 HydrophobicContact CB-CG 4.24Å; V335-R340 HydrophobicContact CG1-CG 4.13Å; V335-R340 PolarHBondContact O-NE 2.98Å; V335-R340 PolarHBondContact O-NH2 2.85Å; T336-R340 WeakPolarHBondContact O-CG 3.5Å; T336-R340 PolarHBondContact O-N 3.48Å; K337-R340 WeakPolarHBondContact O-CB 3.46Å; K337-R340 PolarHBondContact O-N 2.79Å; E338-R340 VanDerWaalsContact C-N 3.3Å; E338-R340 PolarHBondContact O-N 2.96Å; R340-Y343 PolarHBondContact O-N 3.1Å; R340-A344 WeakPolarHBondContact O-CB 3.48Å; R340-A344 PolarHBondContact O-N 3.33Å
341	I	92.9	Very high	88.9	Confident	29 Å²	29	77.4 Å²	77.4	15%	0.149	38%	0.383	C	S	.	.	H	α-helix	trans	-62.9	-49.2	176.9	-69.5	170.1	0	0	0	110	N320 L323 N324 K337 E338 Y343 A344 K345	N320-I341 HydrophobicContact CB-CD1 4.43Å; L323-I341 HydrophobicContact CB-CB 4.43Å; L323-I341 HydrophobicContact CB-CG1 4.21Å; L323-I341 HydrophobicContact CB-CG2 4.06Å; L323-I341 HydrophobicContact CD1-CG2 3.89Å; N324-I341 HydrophobicContact CB-CD1 4.47Å; N324-I341 HydrophobicContact CB-CG1 4.09Å; K337-I341 HydrophobicContact CG-CD1 3.98Å; K337-I341 WeakPolarHBondContact O-CG1 3.43Å; K337-I341 PolarHBondContact O-N 2.89Å; E338-I341 PolarHBondContact O-N 3.3Å; I341-Y343 VanDerWaalsContact C-N 3.32Å; I341-Y343 PolarHBondContact O-N 3.36Å; I341-A344 PolarHBondContact O-N 3.28Å; I341-K345 WeakPolarHBondContact O-CB 3.24Å; I341-K345 PolarHBondContact O-N 3.18Å
342	K	92	Very high	89.4	Confident	154 Å²	154	76.4 Å²	76.4	67%	0.67	38%	0.375	S	S	*	.	H	α-helix	trans	-57.9	-44.2	176.3	-72.5	-176	179.1	-175.3	0	112	E338 K345 E346	E338-K342 WeakPolarHBondContact O-CG 3.42Å; E338-K342 PolarHBondContact O-N 2.94Å; K342-K345 PolarHBondContact O-N 3.25Å; K342-E346 PolarHBondContact O-N 3.13Å
343	Y	91.7	Very high	89.8	Confident	81 Å²	81	66.1 Å²	66.1	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-62.8	-45.2	176.4	176.3	-108.1	0	0	0	112.8	A331 K339 R340 I341 E346 I347	A331-Y343 HydrophobicContact CB-CD1 4.31Å; A331-Y343 HydrophobicContact CB-CE1 4.46Å; K339-Y343 VanDerWaalsContact O-CB 3.25Å; K339-Y343 WeakPolarHBondContact O-CB 3.3Å; K339-Y343 PolarHBondContact O-N 3.26Å; R340-Y343 PolarHBondContact O-N 3.1Å; I341-Y343 VanDerWaalsContact C-N 3.32Å; I341-Y343 PolarHBondContact O-N 3.36Å; Y343-E346 PolarHBondContact O-N 2.8Å; Y343-I347 HydrophobicContact CD1-CD1 4Å; Y343-I347 HydrophobicContact CE1-CD1 3.4Å; Y343-I347 HydrophobicContact CE1-CG1 4.49Å; Y343-I347 HydrophobicContact CE2-CD1 4.04Å; Y343-I347 HydrophobicContact CE2-CG1 4.45Å; Y343-I347 VanDerWaalsContact CZ-CD1 3.43Å; Y343-I347 WeakPolarHBondContact O-CG1 3.3Å; Y343-I347 PolarHBondContact O-N 3.25Å
344	A	92.2	Very high	90.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-41.9	177.3	0	0	0	0	0	111.7	L323 I326 R340 I341 E346 I347 L348	L323-A344 HydrophobicContact CB-CB 4.34Å; L323-A344 HydrophobicContact CD2-CB 4.01Å; L323-A344 VanDerWaalsContact O-CB 3.23Å; L323-A344 WeakPolarHBondContact O-CB 3.18Å; I326-A344 HydrophobicContact CB-CB 4.17Å; I326-A344 HydrophobicContact CG2-CB 4.04Å; R340-A344 WeakPolarHBondContact O-CB 3.48Å; R340-A344 PolarHBondContact O-N 3.33Å; I341-A344 PolarHBondContact O-N 3.28Å; A344-E346 VanDerWaalsContact C-N 3.35Å; A344-E346 PolarHBondContact O-N 3.17Å; A344-I347 PolarHBondContact O-N 2.95Å; A344-L348 WeakPolarHBondContact O-CG 3.28Å; A344-L348 PolarHBondContact O-N 3.24Å
345	K	92.4	Very high	90.9	Very high	93 Å²	93	57.3 Å²	57.3	40%	0.404	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-44.9	175	-172.7	171.8	-178.5	174.1	0	111.1	I341 K342 I347 L348 Q349	I341-K345 WeakPolarHBondContact O-CB 3.24Å; I341-K345 PolarHBondContact O-N 3.18Å; K342-K345 PolarHBondContact O-N 3.25Å; K345-I347 VanDerWaalsContact C-N 3.34Å; K345-I347 PolarHBondContact O-N 3.47Å; K345-L348 PolarHBondContact O-N 3.46Å; K345-Q349 VanDerWaalsContact O-CB 3.25Å; K345-Q349 WeakPolarHBondContact O-CB 3.39Å; K345-Q349 PolarHBondContact O-N 3.05Å
346	E	90.8	Very high	91.2	Very high	93 Å²	93	55.7 Å²	55.7	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-38.4	177.5	-174.1	168.7	-155.8	0	0	112.8	K342 Y343 A344 Q349 K350	K342-E346 PolarHBondContact O-N 3.13Å; Y343-E346 PolarHBondContact O-N 2.8Å; A344-E346 VanDerWaalsContact C-N 3.35Å; A344-E346 PolarHBondContact O-N 3.17Å; E346-Q349 PolarHBondContact O-N 2.91Å; E346-K350 HydrophobicContact CG-CD 3.87Å; E346-K350 HydrophobicContact CG-CG 4.34Å; E346-K350 WeakPolarHBondContact O-CB 3.47Å; E346-K350 PolarHBondContact O-N 3.15Å; E346-K350 IonicContact OE1-NZ 3.59Å; E346-K350 PolarHBondContact OE1-NZ 3.28Å
347	I	91.6	Very high	91.1	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.036	24%	0.238	C	C	.	.	I	π-helix	trans	-63	-49.2	174.5	-72.3	175.4	0	0	0	110.9	I268 Y343 A344 K345 Q349 E351 M352	I268-I347 HydrophobicContact CD1-CD1 3.71Å; Y343-I347 HydrophobicContact CD1-CD1 4Å; Y343-I347 HydrophobicContact CE1-CD1 3.4Å; Y343-I347 HydrophobicContact CE1-CG1 4.49Å; Y343-I347 HydrophobicContact CE2-CD1 4.04Å; Y343-I347 HydrophobicContact CE2-CG1 4.45Å; Y343-I347 VanDerWaalsContact CZ-CD1 3.43Å; Y343-I347 WeakPolarHBondContact O-CG1 3.3Å; Y343-I347 PolarHBondContact O-N 3.25Å; A344-I347 PolarHBondContact O-N 2.95Å; K345-I347 VanDerWaalsContact C-N 3.34Å; K345-I347 PolarHBondContact O-N 3.47Å; I347-Q349 VanDerWaalsContact C-N 3.26Å; I347-Q349 PolarHBondContact O-N 3.43Å; I347-E351 HydrophobicContact CG2-CB 4.34Å; I347-E351 CarbonylContact O-C 3.56Å; I347-E351 WeakPolarHBondContact O-CA 2.99Å; I347-E351 WeakPolarHBondContact O-CB 3.36Å; I347-E351 PolarHBondContact O-N 3.09Å; I347-M352 PolarHBondContact O-N 3.15Å
348	L	92	Very high	91	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.042	23%	0.225	C	C	.	.	I	π-helix	trans	-64.1	-35.7	-179.2	-67.6	175.5	0	0	0	111.6	L265 V277 A280 L323 I326 A344 K345 M352 K366	L265-L348 HydrophobicContact CD1-CD2 3.98Å; V277-L348 HydrophobicContact CG1-CD2 4.34Å; A280-L348 HydrophobicContact CB-CD1 3.74Å; L323-L348 HydrophobicContact CD2-CD1 3.71Å; I326-L348 HydrophobicContact CD1-CD1 4.28Å; A344-L348 WeakPolarHBondContact O-CG 3.28Å; A344-L348 PolarHBondContact O-N 3.24Å; K345-L348 PolarHBondContact O-N 3.46Å; L348-M352 HydrophobicContact CD2-SD 3.61Å; L348-K366 PolarHBondContact O-NZ 3.25Å
349	Q	90.3	Very high	90.8	Very high	32 Å²	32	44.4 Å²	44.4	15%	0.15	21%	0.206	C	C	.	.	I	π-helix	trans	-75.8	-46	179.5	-176.1	-178.7	11	0	0	113.2	K345 E346 I347 I358 D360 K366	K345-Q349 VanDerWaalsContact O-CB 3.25Å; K345-Q349 WeakPolarHBondContact O-CB 3.39Å; K345-Q349 PolarHBondContact O-N 3.05Å; E346-Q349 PolarHBondContact O-N 2.91Å; I347-Q349 VanDerWaalsContact C-N 3.26Å; I347-Q349 PolarHBondContact O-N 3.43Å; Q349-I358 VanDerWaalsContact CG-O 3.22Å; Q349-I358 WeakPolarHBondContact CG-O 3.3Å; Q349-I358 PolarHBondContact NE2-O 3.42Å; Q349-D360 VanDerWaalsContact NE2-CG 3.34Å; Q349-D360 PolarHBondContact NE2-OD1 3.01Å; Q349-D360 PolarHBondContact OE1-OD1 2.93Å; Q349-K366 PolarHBondContact O-NZ 3.03Å
350	K	88.5	Confident	90.4	Very high	63 Å²	63	42.4 Å²	42.4	27%	0.274	20%	0.202	S	C	.	.	I	π-helix	trans	-107.1	-28	-168.1	-59.3	-174.6	-175.1	166.3	0	115	R235 E346 P354 I358	R235-K350 PolarHBondContact NH1-O 2.9Å; R235-K350 VanDerWaalsContact NH1-O 3.13Å; E346-K350 HydrophobicContact CG-CD 3.87Å; E346-K350 HydrophobicContact CG-CG 4.34Å; E346-K350 WeakPolarHBondContact O-CB 3.47Å; E346-K350 PolarHBondContact O-N 3.15Å; E346-K350 IonicContact OE1-NZ 3.59Å; E346-K350 PolarHBondContact OE1-NZ 3.28Å; K350-P354 WeakPolarHBondContact O-CG 3.23Å; K350-I358 HydrophobicContact CB-CG2 4.35Å; K350-I358 HydrophobicContact CG-CG2 3.96Å
351	E	89.1	Confident	90.1	Very high	35 Å²	35	46.9 Å²	46.9	16%	0.164	22%	0.224	C	C	.	.	I	π-helix	trans	-107	-33.5	-173.2	-56.7	-56.4	142.2	0	0	112.6	R235 S238 P266 Y267 I347	R235-E351 IonicContact CZ-OE1 3.93Å; R235-E351 IonicContact NH1-OE1 2.71Å; R235-E351 PolarHBondContact NH1-OE1 3.44Å; R235-E351 IonicContact NH1-OE2 2.75Å; S238-E351 VanDerWaalsContact CB-O 3.29Å; S238-E351 WeakPolarHBondContact CB-O 2.91Å; S238-E351 PolarHBondContact OG-O 3.25Å; P266-E351 HydrophobicContact CG-CB 3.96Å; P266-E351 WeakPolarHBondContact CG-O 3.09Å; Y267-E351 HydrophobicContact CD2-CB 4.19Å; Y267-E351 HydrophobicContact CD2-CG 3.97Å; Y267-E351 HydrophobicContact CE2-CB 4.1Å; Y267-E351 HydrophobicContact CE2-CG 3.77Å; Y267-E351 WeakPolarHBondContact CE2-OE2 3.31Å; I347-E351 HydrophobicContact CG2-CB 4.34Å; I347-E351 CarbonylContact O-C 3.56Å; I347-E351 WeakPolarHBondContact O-CA 2.99Å; I347-E351 WeakPolarHBondContact O-CB 3.36Å; I347-E351 PolarHBondContact O-N 3.09Å
352	M	91.1	Very high	89.8	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-78.3	122.2	173.3	-179.6	174.7	173.1	0	0	110.2	V240 L265 V277 I347 L348 K366 L370	V240-M352 HydrophobicContact CG2-CG 4.39Å; L265-M352 HydrophobicContact CD2-CE 4.43Å; L265-M352 HydrophobicContact CD2-CG 4.3Å; L265-M352 HydrophobicContact CD2-SD 3.74Å; V277-M352 HydrophobicContact CG1-CE 4.11Å; V277-M352 HydrophobicContact CG1-SD 4.12Å; I347-M352 PolarHBondContact O-N 3.15Å; L348-M352 HydrophobicContact CD2-SD 3.61Å; M352-K366 WeakPolarHBondContact O-CE 3.45Å; M352-K366 PolarHBondContact O-NZ 2.7Å; M352-L370 HydrophobicContact CE-CB 4.26Å; M352-L370 HydrophobicContact CE-CD1 3.67Å; M352-L370 HydrophobicContact CE-CD2 3.68Å; M352-L370 HydrophobicContact CE-CG 4.07Å
353	L	92.6	Very high	89.6	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	45.7	58.7	176.2	-54.5	170.9	0	0	0	114.1	V240 H355 V356 Y369 M373	V240-L353 HydrophobicContact CB-CD2 4.43Å; V240-L353 HydrophobicContact CG2-CD2 4.13Å; V240-L353 HydrophobicContact CG2-CG 4.44Å; L353-H355 PolarHBondContact O-N 3.4Å; L353-H355 VanDerWaalsContact O-N 3.16Å; L353-V356 HydrophobicContact CB-CG2 4.22Å; L353-V356 PolarHBondContact O-N 2.92Å; L353-V356 VanDerWaalsContact O-N 3.15Å; L353-Y369 HydrophobicContact CD1-CD1 3.69Å; L353-Y369 HydrophobicContact CD1-CE1 4.45Å; L353-Y369 HydrophobicContact CD2-CD1 3.97Å; L353-Y369 HydrophobicContact CD2-CE1 3.9Å; L353-Y369 HydrophobicContact CG-CD1 4.39Å; L353-M373 HydrophobicContact CD2-SD 4.16Å
354	P	91.6	Very high	89.5	Confident	4 Å²	4	39.7 Å²	39.7	3%	0.026	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.8	-173.2	-22.8	35.5	0	0	0	114.4	S228 S238 K350 V356 G357 I358	S228-P354 VanDerWaalsContact CB-CD 3.47Å; S238-P354 WeakPolarHBondContact OG-CD 3.41Å; S238-P354 WeakPolarHBondContact OG-CG 3.37Å; K350-P354 WeakPolarHBondContact O-CG 3.23Å; P354-V356 PolarHBondContact O-N 3.44Å; P354-G357 PolarHBondContact O-N 3.27Å; P354-I358 HydrophobicContact CB-CD1 4.34Å; P354-I358 HydrophobicContact CB-CG1 4.32Å
355	H	91.5	Very high	89.4	Confident	17 Å²	17	42.8 Å²	42.8	8%	0.079	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.5	177.8	70.4	-61.1	0	0	0	114.5	N208 S228 L353 Y369	N208-H355 VanDerWaalsContact OD1-CB 3.32Å; N208-H355 WeakPolarHBondContact OD1-CB 2.86Å; S228-H355 VanDerWaalsContact CB-ND1 3.28Å; S228-H355 WeakPolarHBondContact CB-ND1 3.17Å; S228-H355 PolarHBondContact OG-CE1 3.14Å; S228-H355 PolarHBondContact OG-ND1 2.88Å; L353-H355 PolarHBondContact O-N 3.4Å; L353-H355 VanDerWaalsContact O-N 3.16Å; H355-Y369 AromaticContact CE1-CE1 3.87Å; H355-Y369 AromaticContact CE1-CZ 3.95Å; H355-Y369 AromaticContact NE2-CE1 3.85Å; H355-Y369 AromaticContact NE2-CE2 3.89Å; H355-Y369 AromaticContact NE2-CZ 3.45Å; H355-Y369 PolarHBondContact NE2-OH 2.82Å
356	V	91.8	Very high	89.4	Confident	15 Å²	15	38.6 Å²	38.6	9%	0.091	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-30.4	176.1	-178.4	0	0	0	0	110.9	L353 P354 K365 K366 Y369	L353-V356 HydrophobicContact CB-CG2 4.22Å; L353-V356 PolarHBondContact O-N 2.92Å; L353-V356 VanDerWaalsContact O-N 3.15Å; P354-V356 PolarHBondContact O-N 3.44Å; V356-K365 HydrophobicContact CG1-CB 3.68Å; V356-K366 HydrophobicContact CB-CG 4.19Å; V356-K366 HydrophobicContact CG1-CG 4.07Å; V356-Y369 HydrophobicContact CG2-CD1 4.44Å; V356-Y369 HydrophobicContact CG2-CD2 4.32Å; V356-Y369 HydrophobicContact CG2-CG 4.06Å
357	G	88.2	Confident	89.5	Confident	14 Å²	14	34.1 Å²	34.1	14%	0.144	17%	0.174	C	C	.	.			trans	157.8	152.6	179.9	0	0	0	0	0	113.2	P354 K366	P354-G357 PolarHBondContact O-N 3.27Å; G357-K366 WeakPolarHBondContact O-CE 3.28Å; G357-K366 PolarHBondContact O-NZ 2.94Å
358	I	88.3	Confident	89.6	Confident	48 Å²	48	34.5 Å²	34.5	25%	0.246	18%	0.175	C	C	.	.			trans	-116.9	-10.6	-180	-57.6	179.2	0	0	0	111.5	L230 Q349 K350 P354	L230-I358 HydrophobicContact CD2-CD1 3.5Å; L230-I358 VanDerWaalsContact CD2-CD1 3.5Å; L230-I358 HydrophobicContact CD2-CG1 4.45Å; Q349-I358 VanDerWaalsContact CG-O 3.22Å; Q349-I358 WeakPolarHBondContact CG-O 3.3Å; Q349-I358 PolarHBondContact NE2-O 3.42Å; K350-I358 HydrophobicContact CB-CG2 4.35Å; K350-I358 HydrophobicContact CG-CG2 3.96Å; P354-I358 HydrophobicContact CB-CD1 4.34Å; P354-I358 HydrophobicContact CB-CG1 4.32Å
359	S	87.3	Confident	89.7	Confident	40 Å²	40	34.3 Å²	34.3	28%	0.28	17%	0.174	S	C	.	.	S	Bend	trans	-76.8	162.9	179.7	51.5	0	0	0	0	112.7	F361 C362	S359-F361 VanDerWaalsContact CB-CZ 3.45Å; S359-F361 PolarHBondContact O-N 3.16Å; S359-F361 WeakPolarHBondContact OG-CE1 3.32Å; S359-F361 WeakPolarHBondContact OG-CE2 3.46Å; S359-F361 WeakPolarHBondContact OG-CZ 3.29Å; S359-C362 PolarHBondContact O-N 3.45Å; S359-C362 PolarHBondContact OG-SG 2.84Å
360	D	81.4	Confident	89.9	Confident	97 Å²	97	32.8 Å²	32.8	52%	0.519	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-63.3	-27.5	-178.5	-71.9	-45	0	0	0	113.2	Q349	Q349-D360 VanDerWaalsContact NE2-CG 3.34Å; Q349-D360 PolarHBondContact NE2-OD1 3.01Å; Q349-D360 PolarHBondContact OE1-OD1 2.93Å
361	F	84.6	Confident	90.2	Very high	155 Å²	155	29.8 Å²	29.8	68%	0.68	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-88.4	-0.4	-175.5	49.7	-94.7	0	0	0	114.1	S359 E363	S359-F361 VanDerWaalsContact CB-CZ 3.45Å; S359-F361 PolarHBondContact O-N 3.16Å; S359-F361 WeakPolarHBondContact OG-CE1 3.32Å; S359-F361 WeakPolarHBondContact OG-CE2 3.46Å; S359-F361 WeakPolarHBondContact OG-CZ 3.29Å; F361-E363 VanDerWaalsContact C-N 3.34Å; F361-E363 PolarHBondContact O-N 3.04Å
362	C	87.2	Confident	90.4	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.061	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-89.5	10.8	-178.9	-68.3	0	0	0	0	114.5	S359 T364 K366	S359-C362 PolarHBondContact O-N 3.45Å; S359-C362 PolarHBondContact OG-SG 2.84Å; C362-T364 VanDerWaalsContact C-N 3.33Å; C362-T364 PolarHBondContact O-N 3.03Å; C362-K366 WeakPolarHBondContact O-CG 2.93Å; C362-K366 PolarHBondContact O-N 3.45Å; C362-K366 VanDerWaalsContact O-N 3.1Å
363	E	87.1	Confident	90.6	Very high	49 Å²	49	28.5 Å²	28.5	23%	0.229	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-38.3	-178.3	-67.3	-179.2	171	0	0	112	F361 K366 A367	F361-E363 VanDerWaalsContact C-N 3.34Å; F361-E363 PolarHBondContact O-N 3.04Å; E363-K366 PolarHBondContact O-N 3.44Å; E363-A367 PolarHBondContact O-N 2.8Å
364	T	89.6	Confident	90.8	Very high	55 Å²	55	28.6 Å²	28.6	34%	0.337	15%	0.148	S	C	.	.	H	α-helix	trans	-62.9	-53	176.3	49.7	0	0	0	0	111.9	F283 C362 K366 A367 F368	F283-T364 HydrophobicContact CZ-CG2 4.27Å; C362-T364 VanDerWaalsContact C-N 3.33Å; C362-T364 PolarHBondContact O-N 3.03Å; T364-K366 VanDerWaalsContact C-N 3.25Å; T364-K366 PolarHBondContact O-N 2.88Å; T364-A367 WeakPolarHBondContact O-CB 3.45Å; T364-A367 PolarHBondContact O-N 3.46Å; T364-F368 WeakPolarHBondContact O-CD2 3.49Å; T364-F368 PolarHBondContact O-N 3.22Å
365	K	91.1	Very high	90.9	Very high	65 Å²	65	29.8 Å²	29.8	28%	0.283	15%	0.153	S	C	.	.	H	α-helix	trans	-57.2	-40	177	-60.1	-167.7	-169.6	-168.1	0	111.9	V356 F368 Y369 E559	V356-K365 HydrophobicContact CG1-CB 3.68Å; K365-F368 PolarHBondContact O-N 3.35Å; K365-Y369 PolarHBondContact O-N 2.92Å; K365-E559 WeakPolarHBondContact CE-OE1 3.43Å; K365-E559 HydrophobicContact CG-CG 4.27Å; K365-E559 IonicContact NZ-OE1 3.65Å
366	K	92.8	Very high	91	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-65.7	-37.4	175.8	-75.1	-178.3	-176.8	-166.1	0	112.8	L348 Q349 M352 V356 G357 C362 E363 T364 Y369 L370	L348-K366 PolarHBondContact O-NZ 3.25Å; Q349-K366 PolarHBondContact O-NZ 3.03Å; M352-K366 WeakPolarHBondContact O-CE 3.45Å; M352-K366 PolarHBondContact O-NZ 2.7Å; V356-K366 HydrophobicContact CB-CG 4.19Å; V356-K366 HydrophobicContact CG1-CG 4.07Å; G357-K366 WeakPolarHBondContact O-CE 3.28Å; G357-K366 PolarHBondContact O-NZ 2.94Å; C362-K366 WeakPolarHBondContact O-CG 2.93Å; C362-K366 PolarHBondContact O-N 3.45Å; C362-K366 VanDerWaalsContact O-N 3.1Å; E363-K366 PolarHBondContact O-N 3.44Å; T364-K366 VanDerWaalsContact C-N 3.25Å; T364-K366 PolarHBondContact O-N 2.88Å; K366-Y369 PolarHBondContact O-N 2.82Å; K366-L370 VanDerWaalsContact O-CB 3.29Å; K366-L370 WeakPolarHBondContact O-CB 3.05Å; K366-L370 PolarHBondContact O-N 2.68Å
367	A	92.9	Very high	91.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.3	-43.5	176.3	0	0	0	0	0	111.7	F278 L281 F283 E363 T364 L370 G371	F278-A367 HydrophobicContact CD1-CB 4.31Å; F278-A367 HydrophobicContact CE1-CB 4.17Å; F278-A367 WeakPolarHBondContact CE1-O 3.36Å; L281-A367 HydrophobicContact CD1-CB 4.09Å; F283-A367 HydrophobicContact CD2-CB 3.8Å; F283-A367 HydrophobicContact CE2-CB 3.2Å; F283-A367 HydrophobicContact CZ-CB 3.89Å; E363-A367 PolarHBondContact O-N 2.8Å; T364-A367 WeakPolarHBondContact O-CB 3.45Å; T364-A367 PolarHBondContact O-N 3.46Å; A367-L370 PolarHBondContact O-N 3.31Å; A367-G371 PolarHBondContact O-N 3.42Å
368	F	92.6	Very high	91.4	Very high	14 Å²	14	28.1 Å²	28.1	6%	0.061	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-46.5	172.8	-82.4	-72	0	0	0	112.5	H292 T364 K365 L370 G371 Y372 L558 P563 I566 W578	H292-F368 AromaticContact CD2-CD1 3.62Å; H292-F368 AromaticContact CD2-CD2 3.83Å; H292-F368 AromaticContact CD2-CE1 3.73Å; H292-F368 AromaticContact CD2-CE2 3.94Å; H292-F368 AromaticContact CD2-CG 3.67Å; H292-F368 AromaticContact CD2-CZ 3.89Å; H292-F368 AromaticContact NE2-CD2 3.99Å; H292-F368 AromaticContact NE2-CE2 3.73Å; H292-F368 AromaticContact NE2-CZ 3.8Å; T364-F368 WeakPolarHBondContact O-CD2 3.49Å; T364-F368 PolarHBondContact O-N 3.22Å; K365-F368 PolarHBondContact O-N 3.35Å; F368-L370 VanDerWaalsContact C-N 3.35Å; F368-L370 PolarHBondContact O-N 2.94Å; F368-G371 PolarHBondContact O-N 3.28Å; F368-Y372 WeakPolarHBondContact O-CB 3.17Å; F368-Y372 PolarHBondContact O-N 2.81Å; F368-L558 HydrophobicContact CB-CD1 4.3Å; F368-L558 HydrophobicContact CB-CD2 3.61Å; F368-L558 HydrophobicContact CB-CG 4.18Å; F368-L558 HydrophobicContact CD1-CD1 3.99Å; F368-L558 HydrophobicContact CD1-CG 4.46Å; F368-L558 HydrophobicContact CD2-CD1 4.07Å; F368-L558 HydrophobicContact CD2-CD2 3.89Å; F368-L558 HydrophobicContact CD2-CG 3.65Å; F368-L558 HydrophobicContact CE1-CD1 4.3Å; F368-L558 HydrophobicContact CE2-CD1 4.37Å; F368-L558 HydrophobicContact CE2-CG 4.09Å; F368-L558 HydrophobicContact CG-CD1 3.87Å; F368-L558 HydrophobicContact CG-CD2 3.86Å; F368-L558 HydrophobicContact CG-CG 3.86Å; F368-L558 HydrophobicContact CZ-CD1 4.47Å; F368-P563 HydrophobicContact CE1-CG 4.38Å; F368-P563 HydrophobicContact CZ-CG 4.32Å; F368-I566 HydrophobicContact CD1-CD1 4.37Å; F368-I566 HydrophobicContact CE1-CD1 3.8Å; F368-W578 HydrophobicContact CB-CE3 4.11Å; F368-W578 HydrophobicContact CB-CZ3 3.9Å; F368-W578 HydrophobicContact CD1-CH2 4.21Å; F368-W578 HydrophobicContact CD1-CZ3 4.17Å; F368-W578 HydrophobicContact CG-CZ3 4.47Å
369	Y	94.4	Very high	91.7	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-38.6	178.3	-168.5	-89.3	0	0	0	112.4	N208 V210 L353 H355 V356 K365 K366 G371 Y372 M373 G576 W578	N208-Y369 PolarHBondContact O-OH 3.34Å; V210-Y369 HydrophobicContact CG2-CE1 4.1Å; V210-Y369 WeakPolarHBondContact CG2-OH 3.43Å; L353-Y369 HydrophobicContact CD1-CD1 3.69Å; L353-Y369 HydrophobicContact CD1-CE1 4.45Å; L353-Y369 HydrophobicContact CD2-CD1 3.97Å; L353-Y369 HydrophobicContact CD2-CE1 3.9Å; L353-Y369 HydrophobicContact CG-CD1 4.39Å; H355-Y369 AromaticContact CE1-CE1 3.87Å; H355-Y369 AromaticContact CE1-CZ 3.95Å; H355-Y369 AromaticContact NE2-CE1 3.85Å; H355-Y369 AromaticContact NE2-CE2 3.89Å; H355-Y369 AromaticContact NE2-CZ 3.45Å; H355-Y369 PolarHBondContact NE2-OH 2.82Å; V356-Y369 HydrophobicContact CG2-CD1 4.44Å; V356-Y369 HydrophobicContact CG2-CD2 4.32Å; V356-Y369 HydrophobicContact CG2-CG 4.06Å; K365-Y369 PolarHBondContact O-N 2.92Å; K366-Y369 PolarHBondContact O-N 2.82Å; Y369-G371 VanDerWaalsContact C-N 3.34Å; Y369-Y372 WeakPolarHBondContact O-CB 3.4Å; Y369-Y372 PolarHBondContact O-N 3.07Å; Y369-M373 HydrophobicContact CD1-CG 4.19Å; Y369-M373 HydrophobicContact CD1-SD 4.2Å; Y369-M373 HydrophobicContact CE1-CG 4.01Å; Y369-M373 HydrophobicContact CE1-SD 3.97Å; Y369-M373 WeakPolarHBondContact O-CG 3.41Å; Y369-M373 PolarHBondContact O-N 3.2Å; Y369-G576 WeakPolarHBondContact CE2-O 3.11Å; Y369-W578 HydrophobicContact CD2-CB 4.41Å
370	L	94.7	Very high	92	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.9	-40.8	174	-174.6	66.1	0	0	0	111.3	V242 I274 V277 F278 L281 M352 K366 A367 F368 Y372 M373 V374	V242-L370 HydrophobicContact CG2-CD1 4.4Å; I274-L370 HydrophobicContact CD1-CD1 3.85Å; I274-L370 HydrophobicContact CD1-CD2 3.86Å; I274-L370 HydrophobicContact CD1-CG 3.91Å; V277-L370 HydrophobicContact CB-CD2 4.31Å; V277-L370 HydrophobicContact CG1-CD2 3.81Å; F278-L370 HydrophobicContact CD2-CD2 4.29Å; F278-L370 HydrophobicContact CE1-CD2 4.41Å; F278-L370 HydrophobicContact CE2-CD2 3.97Å; F278-L370 HydrophobicContact CE2-CG 4.23Å; F278-L370 HydrophobicContact CZ-CB 4.25Å; F278-L370 HydrophobicContact CZ-CD2 4.04Å; F278-L370 HydrophobicContact CZ-CG 4.09Å; L281-L370 HydrophobicContact CD1-CD2 4.23Å; M352-L370 HydrophobicContact CE-CB 4.26Å; M352-L370 HydrophobicContact CE-CD1 3.67Å; M352-L370 HydrophobicContact CE-CD2 3.68Å; M352-L370 HydrophobicContact CE-CG 4.07Å; K366-L370 VanDerWaalsContact O-CB 3.29Å; K366-L370 WeakPolarHBondContact O-CB 3.05Å; K366-L370 PolarHBondContact O-N 2.68Å; A367-L370 PolarHBondContact O-N 3.31Å; F368-L370 VanDerWaalsContact C-N 3.35Å; F368-L370 PolarHBondContact O-N 2.94Å; L370-Y372 VanDerWaalsContact C-N 3.34Å; L370-M373 WeakPolarHBondContact O-CB 3.33Å; L370-M373 PolarHBondContact O-N 3.17Å; L370-V374 WeakPolarHBondContact O-CG2 3.38Å; L370-V374 PolarHBondContact O-N 3.3Å; L370-V374 VanDerWaalsContact O-N 3.07Å
371	G	94.2	Very high	92.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.8	-44.6	173.5	0	0	0	0	0	111.9	H292 A367 F368 Y369 M373 V374 H375	H292-G371 CarbonylContact O-C 3.44Å; H292-G371 VanDerWaalsContact O-CA 3.26Å; H292-G371 WeakPolarHBondContact O-CA 3.42Å; A367-G371 PolarHBondContact O-N 3.42Å; F368-G371 PolarHBondContact O-N 3.28Å; Y369-G371 VanDerWaalsContact C-N 3.34Å; G371-M373 PolarHBondContact O-N 2.96Å; G371-V374 PolarHBondContact O-N 2.9Å; G371-V374 VanDerWaalsContact O-N 3.15Å; G371-H375 WeakPolarHBondContact O-CB 3.26Å; G371-H375 PolarHBondContact O-N 3.24Å
372	Y	94.3	Very high	92.8	Very high	9 Å²	9	16 Å²	16	4%	0.035	8%	0.083	C	C	.	.	H	α-helix	trans	-58.4	-41.5	171.7	176.1	-106.9	0	0	0	113.3	V210 F368 Y369 L370 V374 H375 R376 F573 E616	V210-Y372 HydrophobicContact CG2-CD1 4.28Å; V210-Y372 HydrophobicContact CG2-CE1 4.16Å; F368-Y372 WeakPolarHBondContact O-CB 3.17Å; F368-Y372 PolarHBondContact O-N 2.81Å; Y369-Y372 WeakPolarHBondContact O-CB 3.4Å; Y369-Y372 PolarHBondContact O-N 3.07Å; L370-Y372 VanDerWaalsContact C-N 3.34Å; Y372-V374 VanDerWaalsContact C-N 3.34Å; Y372-V374 PolarHBondContact O-N 3.15Å; Y372-H375 WeakPolarHBondContact O-CB 3.41Å; Y372-H375 PolarHBondContact O-N 2.83Å; Y372-R376 HydrophobicContact CE1-CG 4.3Å; Y372-R376 HydrophobicContact CE2-CG 4.15Å; Y372-R376 PolarHBondContact O-N 3.27Å; Y372-R376 PolarHBondContact OH-NE 2.8Å; Y372-R376 PolarHBondContact OH-NH2 2.84Å; Y372-F573 HydrophobicContact CD1-CE1 4.23Å; Y372-F573 HydrophobicContact CD1-CZ 4.23Å; Y372-F573 HydrophobicContact CD2-CZ 4.27Å; Y372-F573 AromaticContact CE1-CE1 3.93Å; Y372-F573 HydrophobicContact CE1-CE1 3.93Å; Y372-F573 AromaticContact CE1-CZ 3.79Å; Y372-F573 HydrophobicContact CE1-CZ 3.79Å; Y372-F573 AromaticContact CE2-CZ 3.84Å; Y372-F573 HydrophobicContact CE2-CZ 3.84Å; Y372-F573 HydrophobicContact CG-CZ 4.44Å; Y372-F573 AromaticContact CZ-CZ 3.55Å; Y372-E616 WeakPolarHBondContact CE2-OE1 3.37Å; Y372-E616 VanDerWaalsContact CZ-OE1 3.26Å; Y372-E616 PolarHBondContact OH-OE1 3.41Å; Y372-E616 PolarHBondContact OH-OE2 3.07Å; Y372-E616 VanDerWaalsContact OH-OE2 3.1Å
373	M	95.2	Very high	93	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61	-41.9	174.4	-72.6	-175.9	68.3	0	0	112.4	V210 C226 V240 V242 L353 Y369 L370 G371 L377	V210-M373 HydrophobicContact CB-CG 4.5Å; V210-M373 HydrophobicContact CG1-CB 4.39Å; V210-M373 HydrophobicContact CG1-CG 4.02Å; V210-M373 HydrophobicContact CG2-CG 3.61Å; C226-M373 HydrophobicContact CB-CE 3.46Å; C226-M373 VanDerWaalsContact CB-CE 3.46Å; C226-M373 HydrophobicContact CB-SD 3.81Å; V240-M373 HydrophobicContact CG1-CE 4.41Å; V242-M373 HydrophobicContact CG2-CE 4Å; L353-M373 HydrophobicContact CD2-SD 4.16Å; Y369-M373 HydrophobicContact CD1-CG 4.19Å; Y369-M373 HydrophobicContact CD1-SD 4.2Å; Y369-M373 HydrophobicContact CE1-CG 4.01Å; Y369-M373 HydrophobicContact CE1-SD 3.97Å; Y369-M373 WeakPolarHBondContact O-CG 3.41Å; Y369-M373 PolarHBondContact O-N 3.2Å; L370-M373 WeakPolarHBondContact O-CB 3.33Å; L370-M373 PolarHBondContact O-N 3.17Å; G371-M373 PolarHBondContact O-N 2.96Å; M373-L377 PolarHBondContact O-N 3.36Å
374	V	95.5	Very high	93.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-68	-43.1	176.8	179.2	0	0	0	0	110.2	V242 I261 I274 I293 L370 G371 Y372 R376 L377 L378	V242-V374 HydrophobicContact CG1-CG2 4.21Å; I261-V374 HydrophobicContact CD1-CG1 4.09Å; I274-V374 HydrophobicContact CD1-CG2 4Å; I274-V374 HydrophobicContact CG1-CG2 3.68Å; I293-V374 HydrophobicContact CD1-CG1 4.36Å; I293-V374 HydrophobicContact CG1-CB 4.44Å; I293-V374 HydrophobicContact CG1-CG1 4.45Å; I293-V374 HydrophobicContact CG2-CB 4.06Å; I293-V374 HydrophobicContact CG2-CG1 3.64Å; L370-V374 WeakPolarHBondContact O-CG2 3.38Å; L370-V374 PolarHBondContact O-N 3.3Å; L370-V374 VanDerWaalsContact O-N 3.07Å; G371-V374 PolarHBondContact O-N 2.9Å; G371-V374 VanDerWaalsContact O-N 3.15Å; Y372-V374 VanDerWaalsContact C-N 3.34Å; Y372-V374 PolarHBondContact O-N 3.15Å; V374-R376 PolarHBondContact O-N 3.3Å; V374-L377 WeakPolarHBondContact O-CB 3.46Å; V374-L377 PolarHBondContact O-N 2.52Å; V374-L377 VanDerWaalsContact O-N 3.11Å; V374-L378 HydrophobicContact CG1-CD1 4Å; V374-L378 HydrophobicContact CG1-CG 4.35Å; V374-L378 WeakPolarHBondContact O-CG 3.48Å; V374-L378 PolarHBondContact O-N 2.95Å
375	H	94.2	Very high	93.4	Very high	30 Å²	30	19.3 Å²	19.3	14%	0.139	11%	0.105	C	C	.	.	H	α-helix	trans	-56.5	-49.6	176.5	-169.5	79.4	0	0	0	111.5	I293 G371 Y372 L377 L378 L379	I293-H375 WeakPolarHBondContact O-CB 3.45Å; I293-H375 PolarHBondContact O-ND1 3.44Å; G371-H375 WeakPolarHBondContact O-CB 3.26Å; G371-H375 PolarHBondContact O-N 3.24Å; Y372-H375 WeakPolarHBondContact O-CB 3.41Å; Y372-H375 PolarHBondContact O-N 2.83Å; H375-L377 VanDerWaalsContact C-N 3.29Å; H375-L377 PolarHBondContact O-N 2.65Å; H375-L378 PolarHBondContact O-N 3.04Å; H375-L378 VanDerWaalsContact O-N 3.12Å; H375-L379 WeakPolarHBondContact O-CG 3.48Å; H375-L379 PolarHBondContact O-N 3.1Å
376	R	94.1	Very high	93.5	Very high	10 Å²	10	23.2 Å²	23.2	4%	0.038	13%	0.125	C	C	.	.	H	α-helix	trans	-58.4	-40.4	174.9	-86.1	-145	172.7	-153.6	-1.9	112.7	V210 V212 Y372 V374 L378 A380 R385 D388 E616	V210-R376 HydrophobicContact CG1-CB 4.47Å; V212-R376 HydrophobicContact CG2-CB 4.14Å; Y372-R376 HydrophobicContact CE1-CG 4.3Å; Y372-R376 HydrophobicContact CE2-CG 4.15Å; Y372-R376 PolarHBondContact O-N 3.27Å; Y372-R376 PolarHBondContact OH-NE 2.8Å; Y372-R376 PolarHBondContact OH-NH2 2.84Å; V374-R376 PolarHBondContact O-N 3.3Å; R376-L378 VanDerWaalsContact C-N 3.35Å; R376-A380 PolarHBondContact O-N 3.15Å; R376-R385 VanDerWaalsContact CZ-NH2 3.29Å; R376-R385 VanDerWaalsContact NH1-NH2 3.14Å; R376-R385 VanDerWaalsContact NH2-CZ 3.29Å; R376-D388 IonicContact NH1-OD1 2.77Å; R376-E616 IonicContact CZ-OE2 3.67Å; R376-E616 IonicContact NH2-OE1 3.42Å; R376-E616 IonicContact NH2-OE2 3.44Å; R376-E616 PolarHBondContact NH2-OE2 3.42Å
377	L	94.7	Very high	93.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-41.1	176.6	-175.3	148.1	0	0	0	111.7	A224 V242 M244 M373 V374 H375 A380 A381	A224-L377 HydrophobicContact CB-CB 4.24Å; A224-L377 HydrophobicContact CB-CD1 3.93Å; V242-L377 HydrophobicContact CB-CD1 4.48Å; V242-L377 HydrophobicContact CG1-CD1 4.19Å; V242-L377 WeakPolarHBondContact O-CD1 3.46Å; M244-L377 HydrophobicContact CB-CD2 3.84Å; M244-L377 HydrophobicContact CE-CD2 3.43Å; M244-L377 VanDerWaalsContact CE-CD2 3.43Å; M244-L377 HydrophobicContact SD-CD2 4.32Å; M373-L377 PolarHBondContact O-N 3.36Å; V374-L377 WeakPolarHBondContact O-CB 3.46Å; V374-L377 PolarHBondContact O-N 2.52Å; V374-L377 VanDerWaalsContact O-N 3.11Å; H375-L377 VanDerWaalsContact C-N 3.29Å; H375-L377 PolarHBondContact O-N 2.65Å; L377-A380 PolarHBondContact O-N 2.95Å; L377-A381 WeakPolarHBondContact O-CB 3.13Å; L377-A381 PolarHBondContact O-N 3.32Å
378	L	94.1	Very high	93.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-44.3	178.2	-68.7	168.3	0	0	0	111.5	M244 I261 I293 M302 M305 V306 V374 H375 R376 A380 A381 L382	M244-L378 HydrophobicContact CE-CD2 4.05Å; I261-L378 HydrophobicContact CD1-CD2 3.93Å; I293-L378 HydrophobicContact CG2-CD1 3.85Å; M302-L378 HydrophobicContact CE-CB 4.36Å; M302-L378 HydrophobicContact CG-CB 4.16Å; M302-L378 HydrophobicContact CG-CD1 3.7Å; M302-L378 HydrophobicContact CG-CG 4.41Å; M302-L378 HydrophobicContact SD-CB 4.28Å; M302-L378 HydrophobicContact SD-CD1 4.03Å; M305-L378 HydrophobicContact CB-CD2 4.2Å; M305-L378 HydrophobicContact CG-CD2 3.74Å; M305-L378 HydrophobicContact SD-CD2 3.56Å; M305-L378 VanDerWaalsContact SD-CD2 3.56Å; V306-L378 HydrophobicContact CG2-CD1 3.43Å; V306-L378 VanDerWaalsContact CG2-CD1 3.43Å; V306-L378 HydrophobicContact CG2-CD2 3.96Å; V306-L378 HydrophobicContact CG2-CG 4.35Å; V374-L378 HydrophobicContact CG1-CD1 4Å; V374-L378 HydrophobicContact CG1-CG 4.35Å; V374-L378 WeakPolarHBondContact O-CG 3.48Å; V374-L378 PolarHBondContact O-N 2.95Å; H375-L378 PolarHBondContact O-N 3.04Å; H375-L378 VanDerWaalsContact O-N 3.12Å; R376-L378 VanDerWaalsContact C-N 3.35Å; L378-A380 VanDerWaalsContact C-N 3.27Å; L378-A380 PolarHBondContact O-N 3.39Å; L378-A381 PolarHBondContact O-N 2.99Å; L378-A381 VanDerWaalsContact O-N 3.12Å; L378-L382 WeakPolarHBondContact O-CB 3.35Å; L378-L382 WeakPolarHBondContact O-CG 3.31Å; L378-L382 PolarHBondContact O-N 2.81Å
379	L	93.8	Very high	93.6	Very high	28 Å²	28	30.6 Å²	30.6	15%	0.147	17%	0.165	C	C	.	.	H	α-helix	trans	-57	-41.5	176	-70.2	177.7	0	0	0	112.2	M302 H375 G383 R384 R385	M302-L379 HydrophobicContact CE-CD2 3.83Å; M302-L379 HydrophobicContact CE-CG 4.45Å; H375-L379 WeakPolarHBondContact O-CG 3.48Å; H375-L379 PolarHBondContact O-N 3.1Å; L379-G383 PolarHBondContact O-N 3.25Å; L379-R384 HydrophobicContact CD2-CB 4.06Å; L379-R384 PolarHBondContact O-N 2.95Å; L379-R385 HydrophobicContact CB-CB 3.96Å; L379-R385 PolarHBondContact O-N 2.73Å
380	A	92.8	Very high	93.4	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-70	-40	175.6	0	0	0	0	0	112.5	V212 R376 L377 L378 L382 G383 L387	V212-A380 HydrophobicContact CB-CB 4.24Å; V212-A380 HydrophobicContact CG1-CB 3.61Å; R376-A380 PolarHBondContact O-N 3.15Å; L377-A380 PolarHBondContact O-N 2.95Å; L378-A380 VanDerWaalsContact C-N 3.27Å; L378-A380 PolarHBondContact O-N 3.39Å; A380-L382 VanDerWaalsContact C-N 3.31Å; A380-L382 PolarHBondContact O-N 2.94Å; A380-G383 PolarHBondContact O-N 2.9Å; A380-G383 VanDerWaalsContact O-N 3.14Å; A380-L387 HydrophobicContact CB-CD2 4.08Å
381	A	91.9	Very high	93.2	Very high	19 Å²	19	38.2 Å²	38.2	16%	0.157	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-33.3	178.7	0	0	0	0	0	113	Y222 M244 M305 L377 L378 G383	Y222-A381 HydrophobicContact CD2-CB 3.82Å; Y222-A381 HydrophobicContact CE2-CB 3.82Å; M244-A381 HydrophobicContact CE-CB 3.72Å; M244-A381 HydrophobicContact SD-CB 3.77Å; M305-A381 HydrophobicContact CE-CB 4.33Å; M305-A381 HydrophobicContact SD-CB 3.86Å; L377-A381 WeakPolarHBondContact O-CB 3.13Å; L377-A381 PolarHBondContact O-N 3.32Å; L378-A381 PolarHBondContact O-N 2.99Å; L378-A381 VanDerWaalsContact O-N 3.12Å; A381-G383 VanDerWaalsContact C-N 3.33Å
382	L	92.5	Very high	93.3	Very high	33 Å²	33	39 Å²	39	17%	0.173	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.1	173.9	-66.4	175.6	0	0	0	113.3	E301 M302 M305 L378 A380 R384	E301-L382 HydrophobicContact CG-CD1 4.48Å; E301-L382 HydrophobicContact CG-CD2 3.67Å; M302-L382 HydrophobicContact CB-CD1 4.19Å; M302-L382 HydrophobicContact CE-CD1 4.19Å; M305-L382 HydrophobicContact CE-CD2 3.33Å; M305-L382 HydrophobicContact CE-CG 3.96Å; M305-L382 HydrophobicContact SD-CD2 4.18Å; M305-L382 HydrophobicContact SD-CG 4.24Å; L378-L382 WeakPolarHBondContact O-CB 3.35Å; L378-L382 WeakPolarHBondContact O-CG 3.31Å; L378-L382 PolarHBondContact O-N 2.81Å; A380-L382 VanDerWaalsContact C-N 3.31Å; A380-L382 PolarHBondContact O-N 2.94Å; L382-R384 VanDerWaalsContact C-N 3.28Å; L382-R384 HydrophobicContact CB-CG 4.04Å; L382-R384 PolarHBondContact O-N 3.07Å
383	G	91.3	Very high	93.2	Very high	62 Å²	62	38.9 Å²	38.9	64%	0.639	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	16.4	-177.9	0	0	0	0	0	114.6	L379 A380 A381	L379-G383 PolarHBondContact O-N 3.25Å; A380-G383 PolarHBondContact O-N 2.9Å; A380-G383 VanDerWaalsContact O-N 3.14Å; A381-G383 VanDerWaalsContact C-N 3.33Å
384	R	92.4	Very high	93.1	Very high	91 Å²	91	39.1 Å²	39.1	34%	0.343	20%	0.201	S	C	.	.	S	Bend	trans	-76.5	-29.9	176.6	-61.6	-176.1	-174.8	177.1	5.6	112.3	D299 E301 L379 L382 R613	D299-R384 VanDerWaalsContact CG-NH2 3.26Å; D299-R384 IonicContact OD1-CZ 2.64Å; D299-R384 IonicContact OD1-NH1 2.78Å; D299-R384 IonicContact OD1-NH2 3.5Å; D299-R384 PolarHBondContact OD1-NH2 2.52Å; D299-R384 IonicContact OD2-CZ 3.83Å; D299-R384 IonicContact OD2-NH1 3.35Å; D299-R384 PolarHBondContact OD2-NH1 3.06Å; D299-R384 IonicContact OD2-NH2 3.5Å; D299-R384 PolarHBondContact OD2-NH2 3.14Å; E301-R384 IonicContact OE2-CZ 3.41Å; E301-R384 IonicContact OE2-NE 3.52Å; E301-R384 IonicContact OE2-NH2 3.27Å; E301-R384 PolarHBondContact OE2-NH2 2.76Å; L379-R384 HydrophobicContact CD2-CB 4.06Å; L379-R384 PolarHBondContact O-N 2.95Å; L382-R384 VanDerWaalsContact C-N 3.28Å; L382-R384 HydrophobicContact CB-CG 4.04Å; L382-R384 PolarHBondContact O-N 3.07Å; R384-R613 PolarHBondContact O-NH2 3.5Å
385	R	91.8	Very high	93.1	Very high	30 Å²	30	40 Å²	40	11%	0.113	21%	0.206	C	C	.	.	S	Bend	trans	-120	143.3	172.7	-167	-156.5	-176.6	92.3	23.3	109.2	R376 L379 D614	R376-R385 VanDerWaalsContact CZ-NH2 3.29Å; R376-R385 VanDerWaalsContact NH1-NH2 3.14Å; R376-R385 VanDerWaalsContact NH2-CZ 3.29Å; L379-R385 HydrophobicContact CB-CB 3.96Å; L379-R385 PolarHBondContact O-N 2.73Å; R385-D614 IonicContact CZ-OD2 3.75Å; R385-D614 IonicContact NE-OD2 3.36Å; R385-D614 IonicContact NH1-OD1 3.77Å; R385-D614 IonicContact NH1-OD2 2.76Å; R385-D614 PolarHBondContact NH1-OD2 3.15Å; R385-D614 IonicContact NH2-OD2 3.65Å; R385-D614 PolarHBondContact NH2-OD2 3.5Å
386	E	93.1	Very high	93.1	Very high	148 Å²	148	39.5 Å²	39.5	69%	0.692	20%	0.203	S	C	*	.	P	Polyproline II helix	trans	-69.4	160.2	171.9	-64.3	-180	-162.7	0	0	111.5
387	L	94.1	Very high	93.1	Very high	71 Å²	71	39.4 Å²	39.4	37%	0.372	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-73.5	145.7	174.8	-62.1	173.9	0	0	0	109.9	V212 S214 Y222 A380	V212-L387 HydrophobicContact CG1-CD2 4.38Å; S214-L387 WeakPolarHBondContact OG-CD1 3.26Å; Y222-L387 HydrophobicContact CD1-CD2 4.04Å; Y222-L387 HydrophobicContact CE1-CD2 4.03Å; A380-L387 HydrophobicContact CB-CD2 4.08Å
388	D	93.9	Very high	93.1	Very high	28 Å²	28	39.4 Å²	39.4	15%	0.15	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-72	137.8	178.8	-62.5	-57.5	0	0	0	110.9	Y211 V212 F213 R376	Y211-D388 VanDerWaalsContact CA-OD2 3.3Å; Y211-D388 WeakPolarHBondContact CA-OD2 3.14Å; Y211-D388 HydrophobicContact CD1-CB 4.14Å; V212-D388 PolarHBondContact N-OD2 3.41Å; V212-D388 PolarHBondContact O-N 2.75Å; V212-D388 VanDerWaalsContact O-N 3.1Å; F213-D388 WeakPolarHBondContact CD1-O 3.26Å; F213-D388 HydrophobicContact CE1-CB 4.19Å; F213-D388 VanDerWaalsContact CE1-O 3.3Å; F213-D388 WeakPolarHBondContact CE1-O 3.27Å; R376-D388 IonicContact NH1-OD1 2.77Å
389	D	92.8	Very high	93.1	Very high	74 Å²	74	40.2 Å²	40.2	40%	0.396	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-83.7	127.1	175	-167.7	-9	0	0	0	111	D391 H392 N395 H507	D389-D391 VanDerWaalsContact C-N 3.3Å; D389-D391 PolarHBondContact OD1-N 3.23Å; D389-H392 HydrophobicContact CB-CB 4.09Å; D389-N395 PolarHBondContact O-ND2 3.34Å; D389-N395 VanDerWaalsContact O-ND2 3.13Å; D389-H507 IonicContact OD2-CD2 2.83Å; D389-H507 IonicContact OD2-NE2 3.55Å; D389-H507 PolarHBondContact OD2-NE2 2.59Å; D389-H507 VanDerWaalsContact OD2-NE2 3.09Å
390	R	90	Very high	93.1	Very high	134 Å²	134	39.1 Å²	39.1	51%	0.506	20%	0.202	S	C	.	.	S	Bend	trans	-70.4	-28.2	176.5	-68.1	-176.8	-175.6	-179.3	6.5	112.5	F213 K396	F213-R390 HydrophobicContact CD1-CG 3.71Å; F213-R390 HydrophobicContact CE1-CB 4.36Å; F213-R390 HydrophobicContact CE1-CG 3.2Å; F213-R390 HydrophobicContact CE2-CG 4.29Å; F213-R390 HydrophobicContact CG-CG 4.45Å; F213-R390 HydrophobicContact CZ-CG 3.53Å; R390-K396 WeakPolarHBondContact O-CE 3.47Å
391	D	91.4	Very high	93.1	Very high	29 Å²	29	38.9 Å²	38.9	16%	0.155	20%	0.2	C	C	.	.	S	Bend	trans	-90.9	-16.7	-174.6	-69.9	-41.9	0	0	0	112.7	D389 Y393 K396 K502	D389-D391 VanDerWaalsContact C-N 3.3Å; D389-D391 PolarHBondContact OD1-N 3.23Å; D391-Y393 PolarHBondContact O-N 3.01Å; D391-K396 PolarHBondContact O-NZ 3.02Å; D391-K396 IonicContact OD1-NZ 3.46Å; D391-K502 WeakPolarHBondContact OD2-CB 3.32Å
392	H	94.8	Very high	93.1	Very high	17 Å²	17	38 Å²	38	8%	0.079	19%	0.192	C	C	.	.			trans	-50.6	121.4	172.7	-169.1	-79.8	0	0	0	111.5	D389 G394 N395 T509 E676	D389-H392 HydrophobicContact CB-CB 4.09Å; H392-G394 VanDerWaalsContact C-N 3.34Å; H392-G394 PolarHBondContact ND1-N 2.87Å; H392-G394 VanDerWaalsContact ND1-N 3.14Å; H392-G394 PolarHBondContact O-N 3.39Å; H392-N395 WeakPolarHBondContact O-CB 3.49Å; H392-N395 PolarHBondContact O-N 3.14Å; H392-N395 VanDerWaalsContact O-N 3.13Å; H392-T509 WeakPolarHBondContact CD2-CG2 3.43Å; H392-T509 WeakPolarHBondContact NE2-CG2 3.38Å; H392-E676 IonicContact CD2-OE1 3.98Å; H392-E676 PolarHBondContact CD2-OE1 3.49Å; H392-E676 IonicContact CE1-OE1 3.13Å; H392-E676 PolarHBondContact CE1-OE1 2.97Å; H392-E676 IonicContact NE2-OE1 3.84Å; H392-E676 PolarHBondContact NE2-OE1 3.47Å
393	Y	93.6	Very high	93	Very high	6 Å²	6	38.3 Å²	38.3	2%	0.024	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-74.7	-25.3	-169.5	-152.6	-100.7	0	0	0	113.5	E203 D391 N395 K396 L398 T509 L510 I514 V626	E203-Y393 HydrophobicContact CG-CE2 4.39Å; D391-Y393 PolarHBondContact O-N 3.01Å; Y393-N395 PolarHBondContact O-N 3.43Å; Y393-K396 HydrophobicContact CD2-CB 4.5Å; Y393-K396 HydrophobicContact CD2-CD 3.84Å; Y393-K396 HydrophobicContact CE2-CD 4.23Å; Y393-K396 WeakPolarHBondContact O-CB 3.2Å; Y393-K396 PolarHBondContact O-N 2.89Å; Y393-L398 VanDerWaalsContact OH-CD2 3.27Å; Y393-L398 WeakPolarHBondContact OH-CD2 3.46Å; Y393-T509 WeakPolarHBondContact CB-OG1 3.39Å; Y393-T509 PolarHBondContact N-OG1 2.97Å; Y393-T509 VanDerWaalsContact N-OG1 3.16Å; Y393-L510 HydrophobicContact CD2-CD2 3.63Å; Y393-L510 HydrophobicContact CE2-CD2 4.22Å; Y393-L510 HydrophobicContact CG-CD2 3.8Å; Y393-I514 HydrophobicContact CD2-CD1 4.44Å; Y393-I514 HydrophobicContact CE1-CD1 4.26Å; Y393-I514 HydrophobicContact CE2-CD1 3.75Å; Y393-V626 HydrophobicContact CE1-CB 4.23Å; Y393-V626 HydrophobicContact CE1-CG2 3.68Å
394	G	92.8	Very high	93	Very high	6 Å²	6	35.5 Å²	35.5	6%	0.062	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-62.3	-21.7	170	0	0	0	0	0	114	H392 K396 R397 M673	H392-G394 VanDerWaalsContact C-N 3.34Å; H392-G394 PolarHBondContact ND1-N 2.87Å; H392-G394 VanDerWaalsContact ND1-N 3.14Å; H392-G394 PolarHBondContact O-N 3.39Å; G394-K396 PolarHBondContact O-N 3.44Å; G394-R397 PolarHBondContact O-NH1 3.28Å; G394-M673 VanDerWaalsContact C-SD 3.52Å; G394-M673 VanDerWaalsContact CA-SD 3.54Å
395	N	94.4	Very high	93	Very high	19 Å²	19	31.5 Å²	31.5	10%	0.102	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-87	8.2	174.4	-65.8	-27.8	0	0	0	113	A206 Y211 D389 H392 Y393	A206-N395 WeakPolarHBondContact CB-O 3.21Å; A206-N395 PolarHBondContact N-O 3.41Å; Y211-N395 HydrophobicContact CE1-CB 3.7Å; Y211-N395 VanDerWaalsContact CE1-CG 3.42Å; Y211-N395 WeakPolarHBondContact CE1-OD1 3.31Å; Y211-N395 PolarHBondContact OH-O 3.13Å; D389-N395 PolarHBondContact O-ND2 3.34Å; D389-N395 VanDerWaalsContact O-ND2 3.13Å; H392-N395 WeakPolarHBondContact O-CB 3.49Å; H392-N395 PolarHBondContact O-N 3.14Å; H392-N395 VanDerWaalsContact O-N 3.13Å; Y393-N395 PolarHBondContact O-N 3.43Å
396	K	94.7	Very high	92.9	Very high	20 Å²	20	31.3 Å²	31.3	9%	0.087	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	158.2	-177.7	-64.8	166.6	169.8	-172.8	0	110	E203 K204 R390 D391 Y393 G394	E203-K396 HydrophobicContact CG-CB 4.27Å; E203-K396 HydrophobicContact CG-CD 4.08Å; E203-K396 HydrophobicContact CG-CG 4.43Å; E203-K396 WeakPolarHBondContact OE1-CD 3.32Å; E203-K396 WeakPolarHBondContact OE1-CE 3.41Å; E203-K396 IonicContact OE1-NZ 3.38Å; E203-K396 PolarHBondContact OE1-NZ 3.31Å; K204-K396 CarbonylContact O-C 3.42Å; K204-K396 WeakPolarHBondContact O-CA 3.48Å; K204-K396 WeakPolarHBondContact O-CB 3.45Å; R390-K396 WeakPolarHBondContact O-CE 3.47Å; D391-K396 PolarHBondContact O-NZ 3.02Å; D391-K396 IonicContact OD1-NZ 3.46Å; Y393-K396 HydrophobicContact CD2-CB 4.5Å; Y393-K396 HydrophobicContact CD2-CD 3.84Å; Y393-K396 HydrophobicContact CE2-CD 4.23Å; Y393-K396 WeakPolarHBondContact O-CB 3.2Å; Y393-K396 PolarHBondContact O-N 2.89Å; G394-K396 PolarHBondContact O-N 3.44Å
397	R	94.5	Very high	92.7	Very high	7 Å²	7	28 Å²	28	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.9	174.9	-63.3	-64.9	-179.2	-95.3	5.2	109.4	K204 A206 G394 D622 G624 R625	K204-R397 HydrophobicContact CG-CB 4.14Å; K204-R397 PolarHBondContact N-O 3.02Å; K204-R397 PolarHBondContact O-N 3.3Å; A206-R397 HydrophobicContact CB-CG 3.81Å; G394-R397 PolarHBondContact O-NH1 3.28Å; R397-D622 IonicContact CZ-OD1 2.71Å; R397-D622 IonicContact CZ-OD2 3.41Å; R397-D622 IonicContact NE-OD1 3.99Å; R397-D622 PolarHBondContact NE-OD1 2.79Å; R397-D622 IonicContact NE-OD2 3.97Å; R397-D622 PolarHBondContact NE-OD2 3.42Å; R397-D622 IonicContact NH2-OD1 3.87Å; R397-D622 PolarHBondContact NH2-OD1 3.31Å; R397-D622 IonicContact NH2-OD2 2.66Å; R397-D622 PolarHBondContact NH2-OD2 3.36Å; R397-G624 CarbonylContact C-O 3.53Å; R397-G624 WeakPolarHBondContact CA-O 2.92Å; R397-R625 VanDerWaalsContact CZ-CG 3.44Å; R397-R625 VanDerWaalsContact NE-CG 3.29Å
398	L	94.8	Very high	92.5	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.2	175.2	-69.3	-178.9	0	0	0	110.1	A201 E203 Y393 L400 L490 L531 I537 G624 V626	A201-L398 HydrophobicContact CB-CD2 4.47Å; E203-L398 HydrophobicContact CB-CD2 4.2Å; Y393-L398 VanDerWaalsContact OH-CD2 3.27Å; Y393-L398 WeakPolarHBondContact OH-CD2 3.46Å; L398-L400 PolarHBondContact O-N 2.87Å; L398-L490 HydrophobicContact CD1-CD2 4.24Å; L398-L490 HydrophobicContact CD2-CB 4.16Å; L398-L490 HydrophobicContact CD2-CD1 4.41Å; L398-L531 HydrophobicContact CD1-CD2 4.27Å; L398-I537 HydrophobicContact CD1-CD1 3.6Å; L398-I537 HydrophobicContact CD1-CG1 4.35Å; L398-G624 PolarHBondContact N-O 3.4Å; L398-G624 VanDerWaalsContact O-CA 3.25Å; L398-G624 WeakPolarHBondContact O-CA 3.22Å; L398-V626 HydrophobicContact CD1-CG2 3.45Å; L398-V626 VanDerWaalsContact CD1-CG2 3.45Å; L398-V626 HydrophobicContact CG-CG2 4.15Å
399	D	92.8	Very high	92.4	Very high	17 Å²	17	23.7 Å²	23.7	9%	0.091	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	107.2	166.7	-73.8	-25.8	0	0	0	108.9	A201 Q202 K204 L404	A201-D399 WeakPolarHBondContact CA-O 3.4Å; Q202-D399 HydrophobicContact CB-CB 4.33Å; Q202-D399 PolarHBondContact N-O 3.37Å; Q202-D399 PolarHBondContact O-N 2.98Å; K204-D399 WeakPolarHBondContact CD-OD2 3.45Å; K204-D399 WeakPolarHBondContact CE-OD1 3.42Å; K204-D399 IonicContact NZ-OD1 2.72Å; K204-D399 PolarHBondContact NZ-OD1 2.84Å; K204-D399 IonicContact NZ-OD2 2.83Å; D399-L404 HydrophobicContact CB-CD2 3.97Å; D399-L404 HydrophobicContact CB-CG 4.04Å
400	L	94	Very high	92.2	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.026	11%	0.108	C	C	.	.			trans	-87.3	-173.4	174.7	-66.1	179.9	0	0	0	112.2	Q47 S51 A201 L398 G402 L404 I537	Q47-L400 HydrophobicContact CB-CD1 4.08Å; Q47-L400 WeakPolarHBondContact O-CD1 3.39Å; S51-L400 VanDerWaalsContact OG-CB 3.27Å; S51-L400 WeakPolarHBondContact OG-CB 3.34Å; A201-L400 HydrophobicContact CB-CD2 3.62Å; L398-L400 PolarHBondContact O-N 2.87Å; L400-G402 VanDerWaalsContact C-N 3.27Å; L400-G402 PolarHBondContact O-N 3.44Å; L400-L404 VanDerWaalsContact O-CB 3.3Å; L400-L404 WeakPolarHBondContact O-CB 3.46Å; L400-L404 WeakPolarHBondContact O-CD1 3.44Å; L400-L404 WeakPolarHBondContact O-CG 3.34Å; L400-L404 PolarHBondContact O-N 3.05Å; L400-L404 VanDerWaalsContact O-N 3.12Å; L400-I537 HydrophobicContact CD1-CB 3.88Å; L400-I537 HydrophobicContact CD1-CD1 4.01Å; L400-I537 HydrophobicContact CD1-CG2 3.59Å; L400-I537 HydrophobicContact CD2-CD1 3.82Å; L400-I537 HydrophobicContact CG-CD1 4.31Å; L400-I537 HydrophobicContact CG-CG2 4.26Å
401	A	92.8	Very high	92.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-52	-43	-179.6	0	0	0	0	0	112.9	M160 L199 L405	M160-A401 HydrophobicContact CE-CB 3.75Å; L199-A401 HydrophobicContact CB-CB 4.48Å; L199-A401 HydrophobicContact CD1-CB 3.92Å; A401-L405 VanDerWaalsContact O-CB 3.24Å; A401-L405 WeakPolarHBondContact O-CB 3.38Å; A401-L405 WeakPolarHBondContact O-CG 3.36Å; A401-L405 PolarHBondContact O-N 3.01Å
402	G	92.1	Very high	92.2	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.3	-62.8	-178.3	0	0	0	0	0	113.7	S51 L400 L404 L405 S406	S51-G402 WeakPolarHBondContact O-CA 3.48Å; S51-G402 WeakPolarHBondContact OG-CA 3.44Å; S51-G402 PolarHBondContact OG-N 3.29Å; L400-G402 VanDerWaalsContact C-N 3.27Å; L400-G402 PolarHBondContact O-N 3.44Å; G402-L404 VanDerWaalsContact C-N 3.27Å; G402-L404 PolarHBondContact O-N 2.87Å; G402-L405 PolarHBondContact O-N 2.94Å; G402-L405 VanDerWaalsContact O-N 3.17Å; G402-S406 VanDerWaalsContact O-CB 3.28Å; G402-S406 WeakPolarHBondContact O-CB 3.02Å; G402-S406 PolarHBondContact O-N 3.16Å
403	P	90.3	Very high	92.1	Very high	39 Å²	39	16.2 Å²	16.2	25%	0.253	10%	0.095	S	C	.	.	H	α-helix	trans	-57.1	-36.5	177.1	-28.3	35.7	0	0	0	113.9	S51 L407	S51-P403 WeakPolarHBondContact OG-CD 3.43Å; P403-L407 PolarHBondContact O-N 3.44Å
404	L	91.5	Very high	91.9	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-44.2	177	-70.9	172.6	0	0	0	112.2	Q202 D399 L400 G402 L408 W458 V471	Q202-L404 HydrophobicContact CG-CD1 4.37Å; Q202-L404 HydrophobicContact CG-CD2 4.29Å; D399-L404 HydrophobicContact CB-CD2 3.97Å; D399-L404 HydrophobicContact CB-CG 4.04Å; L400-L404 VanDerWaalsContact O-CB 3.3Å; L400-L404 WeakPolarHBondContact O-CB 3.46Å; L400-L404 WeakPolarHBondContact O-CD1 3.44Å; L400-L404 WeakPolarHBondContact O-CG 3.34Å; L400-L404 PolarHBondContact O-N 3.05Å; L400-L404 VanDerWaalsContact O-N 3.12Å; G402-L404 VanDerWaalsContact C-N 3.27Å; G402-L404 PolarHBondContact O-N 2.87Å; L404-L408 PolarHBondContact O-N 3.18Å; L404-W458 HydrophobicContact CB-CZ2 3.72Å; L404-W458 PolarHBondContact O-NE1 2.99Å; L404-V471 HydrophobicContact CD1-CG1 3.68Å; L404-V471 HydrophobicContact CD2-CG1 4.38Å
405	L	92.6	Very high	91.8	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-70.5	-38.1	176.7	-73.5	173.3	0	0	0	111.7	F52 F55 F190 L199 A401 G402 L407 L408 F409 L453 W458	F52-L405 HydrophobicContact CD2-CD1 3.76Å; F52-L405 HydrophobicContact CE2-CD1 3.86Å; F55-L405 HydrophobicContact CD1-CB 4.12Å; F55-L405 HydrophobicContact CD1-CD1 4.11Å; F55-L405 HydrophobicContact CD2-CB 4.23Å; F55-L405 HydrophobicContact CE1-CB 3.82Å; F55-L405 HydrophobicContact CE1-CD1 4.03Å; F55-L405 HydrophobicContact CE2-CB 3.95Å; F55-L405 HydrophobicContact CG-CB 4.32Å; F55-L405 HydrophobicContact CZ-CB 3.73Å; F190-L405 HydrophobicContact CZ-CD1 3.93Å; L199-L405 HydrophobicContact CD1-CD1 4.47Å; L199-L405 HydrophobicContact CD1-CG 4.25Å; A401-L405 VanDerWaalsContact O-CB 3.24Å; A401-L405 WeakPolarHBondContact O-CB 3.38Å; A401-L405 WeakPolarHBondContact O-CG 3.36Å; A401-L405 PolarHBondContact O-N 3.01Å; G402-L405 PolarHBondContact O-N 2.94Å; G402-L405 VanDerWaalsContact O-N 3.17Å; L405-L407 PolarHBondContact O-N 2.62Å; L405-L408 PolarHBondContact O-N 2.83Å; L405-F409 VanDerWaalsContact O-CB 3.26Å; L405-F409 WeakPolarHBondContact O-CB 3.45Å; L405-F409 PolarHBondContact O-N 3.15Å; L405-L453 HydrophobicContact CD2-CD2 4.22Å; L405-W458 HydrophobicContact CD2-CH2 4.42Å; L405-W458 HydrophobicContact CD2-CZ2 4.25Å
406	S	90.6	Very high	91.8	Very high	26 Å²	26	23.7 Å²	23.7	18%	0.182	13%	0.126	C	C	.	.	H	α-helix	trans	-54.9	-49.2	172.8	172.5	0	0	0	0	111.6	I63 G402 L408 R410	I63-S406 WeakPolarHBondContact CD1-OG 3.42Å; G402-S406 VanDerWaalsContact O-CB 3.28Å; G402-S406 WeakPolarHBondContact O-CB 3.02Å; G402-S406 PolarHBondContact O-N 3.16Å; S406-L408 VanDerWaalsContact C-N 3.34Å; S406-L408 PolarHBondContact O-N 3.4Å; S406-R410 WeakPolarHBondContact O-CB 3.37Å; S406-R410 PolarHBondContact O-N 2.64Å
407	L	88.1	Confident	91.7	Very high	79 Å²	79	23.5 Å²	23.5	41%	0.414	13%	0.125	S	C	.	.	H	α-helix	trans	-59.7	-42.8	176.1	177.3	59.7	0	0	0	112.7	P403 L405 G411	P403-L407 PolarHBondContact O-N 3.44Å; L405-L407 PolarHBondContact O-N 2.62Å; L407-G411 PolarHBondContact O-N 2.97Å
408	L	89.8	Confident	91.6	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-71	-49	-179	-178.8	63.7	0	0	0	111.7	L404 L405 S406 R410 G411 L412 L449 W458	L404-L408 PolarHBondContact O-N 3.18Å; L405-L408 PolarHBondContact O-N 2.83Å; S406-L408 VanDerWaalsContact C-N 3.34Å; S406-L408 PolarHBondContact O-N 3.4Å; L408-R410 VanDerWaalsContact C-N 3.33Å; L408-R410 PolarHBondContact O-N 3.07Å; L408-G411 PolarHBondContact O-N 3.21Å; L408-G411 VanDerWaalsContact O-N 3.12Å; L408-L412 HydrophobicContact CD1-CD1 4.4Å; L408-L412 HydrophobicContact CG-CD1 4.15Å; L408-L412 WeakPolarHBondContact O-CG 3.41Å; L408-L412 PolarHBondContact O-N 3.13Å; L408-L449 HydrophobicContact CD2-CD2 3.58Å; L408-L449 HydrophobicContact CG-CD2 3.88Å; L408-W458 HydrophobicContact CD2-CZ2 4.35Å
409	F	92.5	Very high	91.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.6	-45.5	178.5	-178.1	-99.8	0	0	0	110.7	F55 V60 I63 V64 L129 I157 L405 G411 L412 F413 I445	F55-F409 HydrophobicContact CE2-CB 4.38Å; F55-F409 HydrophobicContact CZ-CB 4.27Å; V60-F409 HydrophobicContact CG1-CD1 4.33Å; V60-F409 HydrophobicContact CG1-CE1 3.73Å; V60-F409 HydrophobicContact CG1-CZ 3.86Å; I63-F409 HydrophobicContact CB-CD1 4.49Å; I63-F409 HydrophobicContact CD1-CD1 4.1Å; I63-F409 HydrophobicContact CG2-CD1 4.05Å; I63-F409 HydrophobicContact CG2-CE1 4.21Å; V64-F409 HydrophobicContact CG2-CE1 4.32Å; L129-F409 HydrophobicContact CD2-CE2 3.95Å; L129-F409 HydrophobicContact CD2-CZ 4.03Å; I157-F409 HydrophobicContact CD1-CE2 4.35Å; L405-F409 VanDerWaalsContact O-CB 3.26Å; L405-F409 WeakPolarHBondContact O-CB 3.45Å; L405-F409 PolarHBondContact O-N 3.15Å; F409-G411 VanDerWaalsContact C-N 3.3Å; F409-G411 PolarHBondContact O-N 3.31Å; F409-L412 PolarHBondContact O-N 3.09Å; F409-L412 VanDerWaalsContact O-N 3.15Å; F409-F413 HydrophobicContact CE1-CB 4.27Å; F409-F413 HydrophobicContact CE1-CG 4.43Å; F409-F413 HydrophobicContact CZ-CD2 4.3Å; F409-F413 VanDerWaalsContact O-CB 3.28Å; F409-F413 WeakPolarHBondContact O-CB 3.45Å; F409-F413 PolarHBondContact O-N 3.38Å; F409-I445 HydrophobicContact CD2-CG2 4.39Å; F409-I445 HydrophobicContact CE2-CD1 4.16Å; F409-I445 HydrophobicContact CE2-CG2 4.11Å
410	R	88.9	Confident	91.4	Very high	42 Å²	42	31 Å²	31	16%	0.158	16%	0.158	C	C	.	.	H	α-helix	trans	-54	-44.9	173.9	179.7	179.9	63.7	160.6	13.1	112.7	I63 S233 S234 R235 S406 L408 R414	I63-R410 HydrophobicContact CD1-CB 4.24Å; I63-R410 HydrophobicContact CG2-CB 4.12Å; I63-R410 HydrophobicContact CG2-CG 4.37Å; S233-R410 PolarHBondContact O-NH1 3.44Å; S234-R410 VanDerWaalsContact CA-CD 3.48Å; S234-R410 PolarHBondContact O-NH1 3.12Å; R235-R410 PolarHBondContact O-NH1 3.13Å; S406-R410 WeakPolarHBondContact O-CB 3.37Å; S406-R410 PolarHBondContact O-N 2.64Å; L408-R410 VanDerWaalsContact C-N 3.33Å; L408-R410 PolarHBondContact O-N 3.07Å; R410-R414 WeakPolarHBondContact O-CB 3.27Å; R410-R414 WeakPolarHBondContact O-CG 3.35Å; R410-R414 PolarHBondContact O-N 3.1Å
411	G	88.6	Confident	91.4	Very high	34 Å²	34	37.9 Å²	37.9	35%	0.351	18%	0.184	S	C	.	.	H	α-helix	trans	-64.8	-43.1	177.6	0	0	0	0	0	112.8	L407 L408 F409 N415	L407-G411 PolarHBondContact O-N 2.97Å; L408-G411 PolarHBondContact O-N 3.21Å; L408-G411 VanDerWaalsContact O-N 3.12Å; F409-G411 VanDerWaalsContact C-N 3.3Å; F409-G411 PolarHBondContact O-N 3.31Å; G411-N415 PolarHBondContact O-N 3.49Å; G411-N415 PolarHBondContact O-ND2 2.94Å
412	L	91.9	Very high	91.3	Very high	21 Å²	21	41.7 Å²	41.7	11%	0.11	20%	0.202	C	C	.	.	H	α-helix	trans	-69.5	-39.5	178.3	-65.6	174.5	0	0	0	112.2	L408 F409 N415 L416 I445 L449	L408-L412 HydrophobicContact CD1-CD1 4.4Å; L408-L412 HydrophobicContact CG-CD1 4.15Å; L408-L412 WeakPolarHBondContact O-CG 3.41Å; L408-L412 PolarHBondContact O-N 3.13Å; F409-L412 PolarHBondContact O-N 3.09Å; F409-L412 VanDerWaalsContact O-N 3.15Å; L412-N415 WeakPolarHBondContact O-CB 3.4Å; L412-N415 PolarHBondContact O-N 3.44Å; L412-L416 PolarHBondContact O-N 2.98Å; L412-I445 HydrophobicContact CB-CG1 4.48Å; L412-L449 HydrophobicContact CD1-CD2 3.77Å; L412-L449 HydrophobicContact CD1-CG 3.82Å
413	F	92.5	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-43.9	177.9	-169.8	-108.8	0	0	0	111.3	V64 S67 F93 F409 N415 L416 L417 I445	V64-F413 HydrophobicContact CB-CE1 4.38Å; V64-F413 HydrophobicContact CB-CZ 4.3Å; V64-F413 HydrophobicContact CG1-CE1 4.43Å; V64-F413 HydrophobicContact CG1-CZ 4.02Å; V64-F413 HydrophobicContact CG2-CD1 4.47Å; V64-F413 HydrophobicContact CG2-CD2 4.48Å; V64-F413 HydrophobicContact CG2-CE1 3.99Å; V64-F413 HydrophobicContact CG2-CE2 4.02Å; V64-F413 HydrophobicContact CG2-CZ 3.77Å; S67-F413 WeakPolarHBondContact OG-CE1 3.04Å; F93-F413 HydrophobicContact CB-CZ 4.45Å; F93-F413 HydrophobicContact CD1-CZ 4.18Å; F93-F413 HydrophobicContact CG-CZ 4.15Å; F409-F413 HydrophobicContact CE1-CB 4.27Å; F409-F413 HydrophobicContact CE1-CG 4.43Å; F409-F413 HydrophobicContact CZ-CD2 4.3Å; F409-F413 VanDerWaalsContact O-CB 3.28Å; F409-F413 WeakPolarHBondContact O-CB 3.45Å; F409-F413 PolarHBondContact O-N 3.38Å; F413-N415 VanDerWaalsContact C-N 3.28Å; F413-N415 PolarHBondContact O-N 3.43Å; F413-L416 HydrophobicContact CD2-CD2 4.26Å; F413-L416 HydrophobicContact CE2-CD2 4.36Å; F413-L416 WeakPolarHBondContact O-CA 3.46Å; F413-L416 WeakPolarHBondContact O-CB 3.46Å; F413-L416 PolarHBondContact O-N 3.41Å; F413-L417 HydrophobicContact CD1-CD1 4.01Å; F413-L417 HydrophobicContact CD1-CG 4.29Å; F413-L417 HydrophobicContact CE1-CD1 3.8Å; F413-L417 HydrophobicContact CE1-CD2 4.15Å; F413-L417 HydrophobicContact CE1-CG 4.06Å; F413-L417 HydrophobicContact CZ-CD2 4.12Å; F413-L417 HydrophobicContact CZ-CG 4.41Å; F413-L417 WeakPolarHBondContact O-CG 3.43Å; F413-L417 PolarHBondContact O-N 3.26Å; F413-I445 HydrophobicContact CD2-CD1 4.3Å
414	R	90.2	Very high	91.3	Very high	106 Å²	106	40.8 Å²	40.8	40%	0.4	20%	0.196	S	C	.	.	H	α-helix	trans	-58.9	-38.6	171.7	-78.7	178.6	166.6	-179.5	-7.8	113	S234 R410 L417 K418	S234-R414 PolarHBondContact O-NH1 3.48Å; S234-R414 PolarHBondContact O-NH2 3.19Å; S234-R414 PolarHBondContact OG-NH2 2.94Å; R410-R414 WeakPolarHBondContact O-CB 3.27Å; R410-R414 WeakPolarHBondContact O-CG 3.35Å; R410-R414 PolarHBondContact O-N 3.1Å; R414-L417 PolarHBondContact O-N 3.21Å; R414-K418 PolarHBondContact O-N 3.47Å
415	N	91.1	Very high	91.2	Very high	82 Å²	82	42.4 Å²	42.4	44%	0.439	20%	0.204	S	C	.	.	H	α-helix	trans	-67	-38.8	174.4	-73.9	-20.7	0	0	0	111.8	G411 L412 F413 K418 E419 I444	G411-N415 PolarHBondContact O-N 3.49Å; G411-N415 PolarHBondContact O-ND2 2.94Å; L412-N415 WeakPolarHBondContact O-CB 3.4Å; L412-N415 PolarHBondContact O-N 3.44Å; F413-N415 VanDerWaalsContact C-N 3.28Å; F413-N415 PolarHBondContact O-N 3.43Å; N415-K418 PolarHBondContact O-N 2.96Å; N415-E419 WeakPolarHBondContact O-CG 3.22Å; N415-E419 PolarHBondContact O-N 2.92Å; N415-I444 HydrophobicContact CB-CG2 4.34Å
416	L	92.9	Very high	91.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-48.6	172.5	179.7	68.2	0	0	0	110.9	I154 L412 F413 K418 E419 V420 V440 I444 I445	I154-L416 HydrophobicContact CB-CD2 4.48Å; L412-L416 PolarHBondContact O-N 2.98Å; F413-L416 HydrophobicContact CD2-CD2 4.26Å; F413-L416 HydrophobicContact CE2-CD2 4.36Å; F413-L416 WeakPolarHBondContact O-CA 3.46Å; F413-L416 WeakPolarHBondContact O-CB 3.46Å; F413-L416 PolarHBondContact O-N 3.41Å; L416-K418 VanDerWaalsContact C-N 3.29Å; L416-K418 PolarHBondContact O-N 3Å; L416-E419 PolarHBondContact O-N 2.63Å; L416-E419 VanDerWaalsContact O-N 3.12Å; L416-V420 HydrophobicContact CD1-CG2 4.41Å; L416-V420 HydrophobicContact CG-CG2 4.39Å; L416-V420 WeakPolarHBondContact O-CG2 3.49Å; L416-V420 PolarHBondContact O-N 3.26Å; L416-V440 HydrophobicContact CD1-CG1 4.36Å; L416-I444 HydrophobicContact CD1-CD1 4.19Å; L416-I445 HydrophobicContact CD2-CD1 3.7Å; L416-I445 HydrophobicContact CD2-CG1 4.4Å
417	L	92.8	Very high	91	Very high	15 Å²	15	51.2 Å²	51.2	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-40.9	177.3	-66.1	176.5	0	0	0	112.1	V70 F93 F413 R414 V420 R421	V70-L417 HydrophobicContact CG2-CB 4.3Å; V70-L417 HydrophobicContact CG2-CD2 3.94Å; F93-L417 HydrophobicContact CD2-CD2 3.77Å; F93-L417 HydrophobicContact CE1-CD2 4.49Å; F93-L417 HydrophobicContact CE2-CD2 3.21Å; F93-L417 HydrophobicContact CZ-CD2 3.64Å; F413-L417 HydrophobicContact CD1-CD1 4.01Å; F413-L417 HydrophobicContact CD1-CG 4.29Å; F413-L417 HydrophobicContact CE1-CD1 3.8Å; F413-L417 HydrophobicContact CE1-CD2 4.15Å; F413-L417 HydrophobicContact CE1-CG 4.06Å; F413-L417 HydrophobicContact CZ-CD2 4.12Å; F413-L417 HydrophobicContact CZ-CG 4.41Å; F413-L417 WeakPolarHBondContact O-CG 3.43Å; F413-L417 PolarHBondContact O-N 3.26Å; R414-L417 PolarHBondContact O-N 3.21Å; L417-V420 PolarHBondContact O-N 2.81Å; L417-R421 WeakPolarHBondContact O-CB 3.46Å; L417-R421 PolarHBondContact O-N 2.89Å
418	K	92.1	Very high	91	Very high	138 Å²	138	47.8 Å²	47.8	60%	0.6	22%	0.219	S	C	*	.	H	α-helix	trans	-64.6	-39.6	176.4	-173.4	-179.7	178	-177.8	0	112.5	R414 N415 L416 M422	R414-K418 PolarHBondContact O-N 3.47Å; N415-K418 PolarHBondContact O-N 2.96Å; L416-K418 VanDerWaalsContact C-N 3.29Å; L416-K418 PolarHBondContact O-N 3Å; K418-M422 PolarHBondContact O-N 3.06Å
419	E	92.3	Very high	90.8	Very high	46 Å²	46	50 Å²	50	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-70.5	-43.4	176.9	-73.8	-73.9	131.3	0	0	111.5	N415 L416 R421 M422 V423 R441 I444	N415-E419 WeakPolarHBondContact O-CG 3.22Å; N415-E419 PolarHBondContact O-N 2.92Å; L416-E419 PolarHBondContact O-N 2.63Å; L416-E419 VanDerWaalsContact O-N 3.12Å; E419-R421 VanDerWaalsContact C-N 3.29Å; E419-R421 PolarHBondContact O-N 3.39Å; E419-M422 PolarHBondContact O-N 3.06Å; E419-M422 VanDerWaalsContact O-N 3.14Å; E419-V423 WeakPolarHBondContact O-CG2 3.5Å; E419-V423 PolarHBondContact O-N 3.01Å; E419-R441 IonicContact OE2-CZ 3.96Å; E419-R441 IonicContact OE2-NE 3.59Å; E419-R441 IonicContact OE2-NH1 3.18Å; E419-R441 PolarHBondContact OE2-NH1 3.33Å; E419-I444 HydrophobicContact CB-CD1 4Å; E419-I444 HydrophobicContact CG-CD1 3.71Å
420	V	92.7	Very high	90.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55.2	-48.2	172.6	170	0	0	0	0	109.8	L91 L416 L417 M422 V423 A424 C439 V440	L91-V420 HydrophobicContact CD1-CG1 3.83Å; L416-V420 HydrophobicContact CD1-CG2 4.41Å; L416-V420 HydrophobicContact CG-CG2 4.39Å; L416-V420 WeakPolarHBondContact O-CG2 3.49Å; L416-V420 PolarHBondContact O-N 3.26Å; L417-V420 PolarHBondContact O-N 2.81Å; V420-M422 PolarHBondContact O-N 3.33Å; V420-V423 PolarHBondContact O-N 3.02Å; V420-A424 WeakPolarHBondContact O-CB 3.45Å; V420-A424 PolarHBondContact O-N 3.34Å; V420-C439 HydrophobicContact CG1-CB 4.28Å; V420-V440 HydrophobicContact CG2-CG2 4.25Å
421	R	92.3	Very high	90	Very high	148 Å²	148	62 Å²	62	56%	0.558	29%	0.293	S	S	*	.	H	α-helix	trans	-55.5	-48.8	175.1	174.8	166.4	-173.2	-173.9	3.2	112.2	V70 L72 L417 E419 Q425	V70-R421 HydrophobicContact CG1-CB 3.78Å; V70-R421 HydrophobicContact CG1-CG 4.27Å; L72-R421 HydrophobicContact CD2-CB 4.36Å; L72-R421 HydrophobicContact CD2-CG 3.69Å; L72-R421 WeakPolarHBondContact CD2-O 3.38Å; L417-R421 WeakPolarHBondContact O-CB 3.46Å; L417-R421 PolarHBondContact O-N 2.89Å; E419-R421 VanDerWaalsContact C-N 3.29Å; E419-R421 PolarHBondContact O-N 3.39Å; R421-Q425 VanDerWaalsContact O-CB 3.3Å; R421-Q425 WeakPolarHBondContact O-CB 3.43Å; R421-Q425 PolarHBondContact O-N 3.17Å
422	M	91.4	Very high	89.5	Confident	80 Å²	80	62.2 Å²	62.2	39%	0.394	30%	0.295	S	S	.	.	H	α-helix	trans	-67.7	-43.4	-177.4	-170.7	-169.3	-54.6	0	0	112.7	K418 E419 V420 K426	K418-M422 PolarHBondContact O-N 3.06Å; E419-M422 PolarHBondContact O-N 3.06Å; E419-M422 VanDerWaalsContact O-N 3.14Å; V420-M422 PolarHBondContact O-N 3.33Å; M422-K426 WeakPolarHBondContact O-CG 3.47Å; M422-K426 PolarHBondContact O-N 3.35Å
423	V	91.8	Very high	89	Confident	21 Å²	21	65 Å²	65	13%	0.127	31%	0.31	C	S	.	.	H	α-helix	trans	-69.8	-45.3	-178.9	176.3	0	0	0	0	110.1	E419 V420 Q425 K426 Y427 C439	E419-V423 WeakPolarHBondContact O-CG2 3.5Å; E419-V423 PolarHBondContact O-N 3.01Å; V420-V423 PolarHBondContact O-N 3.02Å; V423-Q425 PolarHBondContact O-N 2.98Å; V423-K426 WeakPolarHBondContact O-CB 3.27Å; V423-K426 PolarHBondContact O-N 3.18Å; V423-Y427 HydrophobicContact CG1-CD2 3.75Å; V423-Y427 HydrophobicContact CG1-CE2 3.58Å; V423-Y427 VanDerWaalsContact O-CD2 3.27Å; V423-Y427 WeakPolarHBondContact O-CD2 3.43Å; V423-Y427 PolarHBondContact O-N 3.04Å; V423-Y427 VanDerWaalsContact O-N 3.09Å; V423-C439 HydrophobicContact CG1-CB 4.44Å
424	A	91	Very high	88.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-44.6	175.8	0	0	0	0	0	111.5	L72 V420 K426 Y427 I428 F434	L72-A424 HydrophobicContact CD1-CB 3.43Å; L72-A424 VanDerWaalsContact CD1-CB 3.43Å; V420-A424 WeakPolarHBondContact O-CB 3.45Å; V420-A424 PolarHBondContact O-N 3.34Å; A424-K426 VanDerWaalsContact C-N 3.3Å; A424-K426 PolarHBondContact O-N 2.73Å; A424-Y427 PolarHBondContact O-N 2.87Å; A424-Y427 VanDerWaalsContact O-N 3.11Å; A424-I428 VanDerWaalsContact O-CG1 3.25Å; A424-I428 WeakPolarHBondContact O-CG1 3.37Å; A424-I428 PolarHBondContact O-N 3.4Å; A424-F434 HydrophobicContact CB-CD1 4.14Å; A424-F434 HydrophobicContact CB-CD2 3.87Å; A424-F434 HydrophobicContact CB-CE1 4.22Å; A424-F434 HydrophobicContact CB-CE2 3.96Å; A424-F434 HydrophobicContact CB-CG 3.95Å; A424-F434 HydrophobicContact CB-CZ 4.12Å
425	Q	89.5	Confident	88.5	Confident	38 Å²	38	64.3 Å²	64.3	18%	0.178	31%	0.314	C	S	.	.	H	α-helix	trans	-57.3	-41.5	175.5	-170.1	68.1	57.8	0	0	112.4	L72 Q73 R421 V423 Y427 N429	L72-Q425 HydrophobicContact CD2-CB 4.31Å; Q73-Q425 PolarHBondContact O-NE2 3.04Å; Q73-Q425 PolarHBondContact O-OE1 3.11Å; R421-Q425 VanDerWaalsContact O-CB 3.3Å; R421-Q425 WeakPolarHBondContact O-CB 3.43Å; R421-Q425 PolarHBondContact O-N 3.17Å; V423-Q425 PolarHBondContact O-N 2.98Å; Q425-Y427 PolarHBondContact O-N 3.41Å; Q425-N429 PolarHBondContact NE2-OD1 2.75Å; Q425-N429 WeakPolarHBondContact O-CB 3.16Å; Q425-N429 PolarHBondContact O-N 3.16Å; Q425-N429 PolarHBondContact O-OD1 2.74Å
426	K	89.5	Confident	88.3	Confident	126 Å²	126	60.5 Å²	60.5	55%	0.548	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-37.3	177	-74.4	176	-179.4	178.5	0	112.8	M422 V423 A424 K430	M422-K426 WeakPolarHBondContact O-CG 3.47Å; M422-K426 PolarHBondContact O-N 3.35Å; V423-K426 WeakPolarHBondContact O-CB 3.27Å; V423-K426 PolarHBondContact O-N 3.18Å; A424-K426 VanDerWaalsContact C-N 3.3Å; A424-K426 PolarHBondContact O-N 2.73Å; K426-K430 WeakPolarHBondContact O-CG 3.11Å; K426-K430 PolarHBondContact O-N 2.83Å
427	Y	89.8	Confident	88	Confident	90 Å²	90	66.7 Å²	66.7	35%	0.353	32%	0.323	S	S	.	.	H	α-helix	trans	-73.2	-44.1	176.9	-83.3	-71.8	0	0	0	111.9	V423 A424 Q425 N429 K430 V431 F434	V423-Y427 HydrophobicContact CG1-CD2 3.75Å; V423-Y427 HydrophobicContact CG1-CE2 3.58Å; V423-Y427 VanDerWaalsContact O-CD2 3.27Å; V423-Y427 WeakPolarHBondContact O-CD2 3.43Å; V423-Y427 PolarHBondContact O-N 3.04Å; V423-Y427 VanDerWaalsContact O-N 3.09Å; A424-Y427 PolarHBondContact O-N 2.87Å; A424-Y427 VanDerWaalsContact O-N 3.11Å; Q425-Y427 PolarHBondContact O-N 3.41Å; Y427-N429 VanDerWaalsContact C-N 3.27Å; Y427-N429 PolarHBondContact O-N 3.12Å; Y427-K430 PolarHBondContact O-N 2.88Å; Y427-V431 PolarHBondContact O-N 2.85Å; Y427-F434 HydrophobicContact CD2-CB 4.49Å; Y427-F434 HydrophobicContact CG-CB 4.21Å
428	I	87.5	Confident	87.7	Confident	8 Å²	8	71.2 Å²	71.2	4%	0.041	35%	0.346	C	S	.	.	H	α-helix	trans	-54.4	-45.9	174.4	-67.1	164.8	0	0	0	110.1	L72 Y89 A424 K430 G432 F434	L72-I428 HydrophobicContact CB-CD1 3.82Å; L72-I428 HydrophobicContact CD1-CD1 3.91Å; L72-I428 HydrophobicContact CG-CD1 4.42Å; Y89-I428 HydrophobicContact CD2-CD1 3.64Å; Y89-I428 HydrophobicContact CD2-CG1 4.15Å; Y89-I428 HydrophobicContact CE2-CD1 4.03Å; Y89-I428 HydrophobicContact CE2-CG1 4.01Å; Y89-I428 HydrophobicContact CE2-CG2 4.14Å; Y89-I428 HydrophobicContact CG-CD1 4.21Å; A424-I428 VanDerWaalsContact O-CG1 3.25Å; A424-I428 WeakPolarHBondContact O-CG1 3.37Å; A424-I428 PolarHBondContact O-N 3.4Å; I428-K430 VanDerWaalsContact C-N 3.27Å; I428-K430 PolarHBondContact O-N 2.96Å; I428-G432 VanDerWaalsContact O-CA 3.27Å; I428-G432 WeakPolarHBondContact O-CA 3.1Å; I428-G432 PolarHBondContact O-N 3.06Å; I428-G432 VanDerWaalsContact O-N 3.08Å; I428-F434 HydrophobicContact CD1-CD1 3.88Å; I428-F434 HydrophobicContact CD1-CE1 3.82Å; I428-F434 HydrophobicContact CG1-CD1 3.61Å; I428-F434 HydrophobicContact CG1-CE1 4.06Å
429	N	85.3	Confident	87.6	Confident	55 Å²	55	64.6 Å²	64.6	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-19.2	-179.9	-68.4	1.6	0	0	0	114	E75 Q425 Y427	E75-N429 PolarHBondContact N-OD1 2.92Å; E75-N429 PolarHBondContact OE2-ND2 2.88Å; Q425-N429 PolarHBondContact NE2-OD1 2.75Å; Q425-N429 WeakPolarHBondContact O-CB 3.16Å; Q425-N429 PolarHBondContact O-N 3.16Å; Q425-N429 PolarHBondContact O-OD1 2.74Å; Y427-N429 VanDerWaalsContact C-N 3.27Å; Y427-N429 PolarHBondContact O-N 3.12Å
430	K	84.7	Confident	87.5	Confident	180 Å²	180	62.9 Å²	62.9	78%	0.783	31%	0.31	S	S	*	.	H	α-helix	trans	-101.5	-44.5	-176.6	-77.5	-175.4	176.1	-168.2	0	114.1	K426 Y427 I428	K426-K430 WeakPolarHBondContact O-CG 3.11Å; K426-K430 PolarHBondContact O-N 2.83Å; Y427-K430 PolarHBondContact O-N 2.88Å; I428-K430 VanDerWaalsContact C-N 3.27Å; I428-K430 PolarHBondContact O-N 2.96Å
431	V	79.8	Confident	87.5	Confident	114 Å²	114	69 Å²	69	69%	0.691	33%	0.333	S	S	*	.	H	α-helix	trans	-119.6	-13	-169.1	-173.6	0	0	0	0	111.2	Y427 D433	Y427-V431 PolarHBondContact O-N 2.85Å; V431-D433 PolarHBondContact O-N 2.88Å
432	G	79	Confident	87.5	Confident	38 Å²	38	64.2 Å²	64.2	39%	0.392	32%	0.321	S	S	.	.	S	Bend	trans	85.7	-19.2	-176.2	0	0	0	0	0	114.3	Y89 I428	Y89-G432 PolarHBondContact OH-O 3.4Å; I428-G432 VanDerWaalsContact O-CA 3.27Å; I428-G432 WeakPolarHBondContact O-CA 3.1Å; I428-G432 PolarHBondContact O-N 3.06Å; I428-G432 VanDerWaalsContact O-N 3.08Å
433	D	81.2	Confident	87.6	Confident	80 Å²	80	63.1 Å²	63.1	43%	0.428	32%	0.321	S	S	.	.			trans	-140.3	167.9	176	-163.6	12.6	0	0	0	111.5	K135 V431	K135-D433 IonicContact NZ-OD1 2.97Å; K135-D433 PolarHBondContact NZ-OD1 2.91Å; K135-D433 IonicContact NZ-OD2 2.61Å; V431-D433 PolarHBondContact O-N 2.88Å
434	F	86.4	Confident	87.7	Confident	9 Å²	9	63.8 Å²	63.8	4%	0.039	32%	0.323	C	S	.	.			trans	-139.8	141.7	-179.4	65.5	-85.5	0	0	0	112.3	L72 Y89 L91 K135 A424 Y427 I428 L436	L72-F434 HydrophobicContact CD1-CE1 4.37Å; L72-F434 HydrophobicContact CD1-CZ 4.32Å; Y89-F434 AromaticContact CD1-CE1 3.8Å; Y89-F434 HydrophobicContact CD1-CE1 3.8Å; Y89-F434 HydrophobicContact CE1-CE1 4.34Å; Y89-F434 AromaticContact CG-CE1 3.96Å; Y89-F434 HydrophobicContact CG-CE1 3.96Å; L91-F434 HydrophobicContact CD1-CE2 4.06Å; L91-F434 HydrophobicContact CD1-CZ 4.09Å; L91-F434 HydrophobicContact CD2-CE2 4.25Å; L91-F434 HydrophobicContact CD2-CZ 4.05Å; L91-F434 HydrophobicContact CG-CZ 4.34Å; K135-F434 HydrophobicContact CD-CZ 4.42Å; K135-F434 PolarHBondContact NZ-O 3.05Å; A424-F434 HydrophobicContact CB-CD1 4.14Å; A424-F434 HydrophobicContact CB-CD2 3.87Å; A424-F434 HydrophobicContact CB-CE1 4.22Å; A424-F434 HydrophobicContact CB-CE2 3.96Å; A424-F434 HydrophobicContact CB-CG 3.95Å; A424-F434 HydrophobicContact CB-CZ 4.12Å; Y427-F434 HydrophobicContact CD2-CB 4.49Å; Y427-F434 HydrophobicContact CG-CB 4.21Å; I428-F434 HydrophobicContact CD1-CD1 3.88Å; I428-F434 HydrophobicContact CD1-CE1 3.82Å; I428-F434 HydrophobicContact CG1-CD1 3.61Å; I428-F434 HydrophobicContact CG1-CE1 4.06Å; F434-L436 HydrophobicContact CE2-CD1 4.4Å
435	N	86.5	Confident	87.9	Confident	82 Å²	82	63.8 Å²	63.8	44%	0.439	32%	0.323	S	S	.	.			trans	-81.2	121.2	168.8	-176.1	-16.6	0	0	0	109.5	E437 L438 C439	N435-E437 PolarHBondContact O-N 2.84Å; N435-E437 PolarHBondContact OD1-N 2.85Å; N435-L438 HydrophobicContact CB-CD1 4.1Å; N435-L438 HydrophobicContact CB-CG 4.25Å; N435-L438 PolarHBondContact O-N 2.91Å; N435-C439 PolarHBondContact O-N 3.32Å; N435-C439 PolarHBondContact O-SG 3.02Å; N435-C439 VanDerWaalsContact O-SG 3.4Å
436	L	86.1	Confident	88.1	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-39.1	-176.7	-177.3	66.1	0	0	0	112.9	L91 I133 H149 V152 F434 L438 C439 V440	L91-L436 HydrophobicContact CD1-CD1 4.04Å; L91-L436 HydrophobicContact CD2-CD1 4.08Å; I133-L436 HydrophobicContact CB-CD2 3.71Å; I133-L436 HydrophobicContact CD1-CD1 4.4Å; I133-L436 HydrophobicContact CD1-CD2 3.84Å; I133-L436 HydrophobicContact CD1-CG 4.26Å; I133-L436 HydrophobicContact CG1-CD2 4.33Å; I133-L436 HydrophobicContact CG2-CD1 4.28Å; I133-L436 HydrophobicContact CG2-CD2 3.65Å; H149-L436 HydrophobicContact CB-CD2 3.99Å; V152-L436 HydrophobicContact CG2-CD2 4.46Å; F434-L436 HydrophobicContact CE2-CD1 4.4Å; L436-L438 VanDerWaalsContact C-N 3.31Å; L436-L438 PolarHBondContact O-N 2.84Å; L436-C439 WeakPolarHBondContact O-CB 3.22Å; L436-C439 PolarHBondContact O-N 2.98Å; L436-C439 VanDerWaalsContact O-N 3.08Å; L436-V440 PolarHBondContact O-N 3.01Å
437	E	86.2	Confident	88.3	Confident	130 Å²	130	64 Å²	64	61%	0.607	33%	0.327	S	S	*	.	H	α-helix	trans	-63.9	-37.4	-178	-65.3	-177.2	176.7	0	0	111.9	N435 C439 V440	N435-E437 PolarHBondContact O-N 2.84Å; N435-E437 PolarHBondContact OD1-N 2.85Å; E437-C439 VanDerWaalsContact C-N 3.28Å; E437-C439 PolarHBondContact O-N 2.8Å; E437-V440 PolarHBondContact O-N 2.89Å
438	L	87.5	Confident	88.4	Confident	110 Å²	110	60.1 Å²	60.1	58%	0.576	31%	0.314	S	S	*	.	H	α-helix	trans	-71.7	-23.8	176.6	-63.4	179.1	0	0	0	112.7	N435 L436	N435-L438 HydrophobicContact CB-CD1 4.1Å; N435-L438 HydrophobicContact CB-CG 4.25Å; N435-L438 PolarHBondContact O-N 2.91Å; L436-L438 VanDerWaalsContact C-N 3.31Å; L436-L438 PolarHBondContact O-N 2.84Å
439	C	89.1	Confident	88.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-76.2	-28.9	176.7	-68.7	0	0	0	0	112.4	V420 V423 N435 L436 E437 R441	V420-C439 HydrophobicContact CG1-CB 4.28Å; V423-C439 HydrophobicContact CG1-CB 4.44Å; N435-C439 PolarHBondContact O-N 3.32Å; N435-C439 PolarHBondContact O-SG 3.02Å; N435-C439 VanDerWaalsContact O-SG 3.4Å; L436-C439 WeakPolarHBondContact O-CB 3.22Å; L436-C439 PolarHBondContact O-N 2.98Å; L436-C439 VanDerWaalsContact O-N 3.08Å; E437-C439 VanDerWaalsContact C-N 3.28Å; E437-C439 PolarHBondContact O-N 2.8Å; C439-R441 PolarHBondContact O-N 2.83Å
440	V	91.1	Very high	89.1	Confident	10 Å²	10	59.7 Å²	59.7	6%	0.061	31%	0.31	C	S	.	.			trans	-82.7	102.5	-176.3	177.5	0	0	0	0	110.9	I133 V152 I154 L416 V420 L436 E437 T442	I133-V440 HydrophobicContact CD1-CG2 4.46Å; V152-V440 HydrophobicContact CG1-CG2 4.38Å; I154-V440 HydrophobicContact CB-CG1 4.44Å; I154-V440 HydrophobicContact CG2-CG1 3.94Å; L416-V440 HydrophobicContact CD1-CG1 4.36Å; V420-V440 HydrophobicContact CG2-CG2 4.25Å; L436-V440 PolarHBondContact O-N 3.01Å; E437-V440 PolarHBondContact O-N 2.89Å; V440-T442 HydrophobicContact CG1-CG2 4.43Å; V440-T442 PolarHBondContact O-N 2.76Å; V440-T442 VanDerWaalsContact O-N 3.16Å
441	R	92	Very high	89.5	Confident	127 Å²	127	54.8 Å²	54.8	48%	0.479	29%	0.287	S	S	.	.			trans	-83	89	175.8	-71.8	-178	170.2	-173.1	-11	112.1	E419 C439 S443 I444	E419-R441 IonicContact OE2-CZ 3.96Å; E419-R441 IonicContact OE2-NE 3.59Å; E419-R441 IonicContact OE2-NH1 3.18Å; E419-R441 PolarHBondContact OE2-NH1 3.33Å; C439-R441 PolarHBondContact O-N 2.83Å; R441-S443 PolarHBondContact O-N 3.41Å; R441-S443 VanDerWaalsContact O-N 3.07Å; R441-I444 HydrophobicContact CB-CD1 3.79Å; R441-I444 HydrophobicContact CB-CG1 4.12Å; R441-I444 PolarHBondContact O-N 3.12Å; R441-I444 VanDerWaalsContact O-N 3.16Å
442	T	93	Very high	90.1	Very high	48 Å²	48	49.5 Å²	49.5	29%	0.294	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.2	-178.5	59.3	0	0	0	0	115.1	F153 I154 V440 I444 T446	F153-T442 HydrophobicContact CD1-CG2 3.49Å; F153-T442 VanDerWaalsContact CD1-CG2 3.49Å; F153-T442 HydrophobicContact CE1-CG2 3.67Å; F153-T442 HydrophobicContact CG-CG2 4.43Å; F153-T442 WeakPolarHBondContact O-CG2 3.39Å; I154-T442 WeakPolarHBondContact O-CA 3.4Å; V440-T442 HydrophobicContact CG1-CG2 4.43Å; V440-T442 PolarHBondContact O-N 2.76Å; V440-T442 VanDerWaalsContact O-N 3.16Å; T442-I444 VanDerWaalsContact C-N 3.27Å; T442-I444 PolarHBondContact O-N 3.26Å; T442-T446 WeakPolarHBondContact O-CB 3.43Å; T442-T446 PolarHBondContact O-N 2.9Å; T442-T446 PolarHBondContact O-OG1 2.92Å
443	S	93.3	Very high	90.7	Very high	57 Å²	57	47.7 Å²	47.7	40%	0.399	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-26.5	179.4	61.8	0	0	0	0	113.5	R441 K447	R441-S443 PolarHBondContact O-N 3.41Å; R441-S443 VanDerWaalsContact O-N 3.07Å; S443-K447 VanDerWaalsContact O-CB 3.25Å; S443-K447 WeakPolarHBondContact O-CB 3.4Å; S443-K447 PolarHBondContact O-N 2.8Å
444	I	93.8	Very high	91.3	Very high	35 Å²	35	45.1 Å²	45.1	18%	0.179	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-50	-176.1	-63.8	172.1	0	0	0	110.4	N415 L416 E419 R441 T442 G448	N415-I444 HydrophobicContact CB-CG2 4.34Å; L416-I444 HydrophobicContact CD1-CD1 4.19Å; E419-I444 HydrophobicContact CB-CD1 4Å; E419-I444 HydrophobicContact CG-CD1 3.71Å; R441-I444 HydrophobicContact CB-CD1 3.79Å; R441-I444 HydrophobicContact CB-CG1 4.12Å; R441-I444 PolarHBondContact O-N 3.12Å; R441-I444 VanDerWaalsContact O-N 3.16Å; T442-I444 VanDerWaalsContact C-N 3.27Å; T442-I444 PolarHBondContact O-N 3.26Å; I444-G448 WeakPolarHBondContact O-CA 3.26Å; I444-G448 PolarHBondContact O-N 3.34Å; I444-G448 VanDerWaalsContact O-N 3.12Å
445	I	94.1	Very high	91.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71.5	-52.1	178.9	-64.2	178.9	0	0	0	109.8	I154 F409 L412 F413 L416 G448 L449	I154-I445 HydrophobicContact CB-CD1 4.5Å; F409-I445 HydrophobicContact CD2-CG2 4.39Å; F409-I445 HydrophobicContact CE2-CD1 4.16Å; F409-I445 HydrophobicContact CE2-CG2 4.11Å; L412-I445 HydrophobicContact CB-CG1 4.48Å; F413-I445 HydrophobicContact CD2-CD1 4.3Å; L416-I445 HydrophobicContact CD2-CD1 3.7Å; L416-I445 HydrophobicContact CD2-CG1 4.4Å; I445-G448 PolarHBondContact O-N 3.12Å; I445-L449 HydrophobicContact CG2-CD1 3.97Å; I445-L449 HydrophobicContact CG2-CG 4.47Å; I445-L449 WeakPolarHBondContact O-CG 3.19Å; I445-L449 PolarHBondContact O-N 3.26Å
446	T	94.6	Very high	91.5	Very high	31 Å²	31	44 Å²	44	19%	0.19	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-56.6	-173.5	-51.1	0	0	0	0	112.3	G155 K156 T442 G448 Q450	G155-T446 WeakPolarHBondContact CA-OG1 3.49Å; K156-T446 HydrophobicContact CB-CG2 4.02Å; K156-T446 HydrophobicContact CG-CG2 4.35Å; K156-T446 PolarHBondContact N-OG1 3.06Å; T442-T446 WeakPolarHBondContact O-CB 3.43Å; T442-T446 PolarHBondContact O-N 2.9Å; T442-T446 PolarHBondContact O-OG1 2.92Å; T446-G448 VanDerWaalsContact C-N 3.33Å; T446-Q450 VanDerWaalsContact O-CB 3.27Å; T446-Q450 WeakPolarHBondContact O-CB 3.46Å; T446-Q450 PolarHBondContact O-N 3.03Å; T446-Q450 VanDerWaalsContact O-N 3.12Å
447	K	92.9	Very high	91.6	Very high	139 Å²	139	45.8 Å²	45.8	60%	0.604	23%	0.233	S	C	*	.	H	α-helix	trans	-72.1	-30.1	-179.7	-62.6	-174.2	175.7	-178.8	0	111.5	S443 Y451	S443-K447 VanDerWaalsContact O-CB 3.25Å; S443-K447 WeakPolarHBondContact O-CB 3.4Å; S443-K447 PolarHBondContact O-N 2.8Å; K447-Y451 WeakPolarHBondContact O-CB 3.37Å; K447-Y451 PolarHBondContact O-N 2.98Å
448	G	92.8	Very high	91.4	Very high	8 Å²	8	40.6 Å²	40.6	8%	0.082	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-53.7	176.7	0	0	0	0	0	112.2	I444 I445 T446 Y451 S452	I444-G448 WeakPolarHBondContact O-CA 3.26Å; I444-G448 PolarHBondContact O-N 3.34Å; I444-G448 VanDerWaalsContact O-N 3.12Å; I445-G448 PolarHBondContact O-N 3.12Å; T446-G448 VanDerWaalsContact C-N 3.33Å; G448-Y451 PolarHBondContact O-N 2.86Å; G448-S452 PolarHBondContact O-N 2.95Å; G448-S452 VanDerWaalsContact O-N 3.13Å
449	L	93.8	Very high	91	Very high	3 Å²	3	37 Å²	37	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-47	177	-68.9	178.7	0	0	0	111.5	I157 P158 L408 L412 I445 Y451 S452 L453	I157-L449 HydrophobicContact CG1-CD1 4.16Å; P158-L449 HydrophobicContact CG-CB 4.33Å; L408-L449 HydrophobicContact CD2-CD2 3.58Å; L408-L449 HydrophobicContact CG-CD2 3.88Å; L412-L449 HydrophobicContact CD1-CD2 3.77Å; L412-L449 HydrophobicContact CD1-CG 3.82Å; I445-L449 HydrophobicContact CG2-CD1 3.97Å; I445-L449 HydrophobicContact CG2-CG 4.47Å; I445-L449 WeakPolarHBondContact O-CG 3.19Å; I445-L449 PolarHBondContact O-N 3.26Å; L449-Y451 VanDerWaalsContact C-N 3.32Å; L449-Y451 PolarHBondContact O-N 2.7Å; L449-S452 PolarHBondContact O-N 2.97Å; L449-L453 WeakPolarHBondContact O-CB 3.35Å; L449-L453 VanDerWaalsContact O-CG 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.15Å; L449-L453 PolarHBondContact O-N 2.77Å; L449-L453 VanDerWaalsContact O-N 3.09Å
450	Q	93.6	Very high	90.3	Very high	50 Å²	50	41 Å²	41	23%	0.234	22%	0.218	C	C	.	.	H	α-helix	trans	-58	-43.4	179	-171.9	-173.4	0.2	0	0	111.9	T124 I192 N193 T446 A454	T124-Q450 HydrophobicContact CG2-CG 4.43Å; T124-Q450 PolarHBondContact OG1-NE2 3.41Å; I192-Q450 HydrophobicContact CG2-CG 3.77Å; N193-Q450 PolarHBondContact OD1-NE2 2.72Å; T446-Q450 VanDerWaalsContact O-CB 3.27Å; T446-Q450 WeakPolarHBondContact O-CB 3.46Å; T446-Q450 PolarHBondContact O-N 3.03Å; T446-Q450 VanDerWaalsContact O-N 3.12Å; Q450-A454 WeakPolarHBondContact O-CB 3.3Å; Q450-A454 PolarHBondContact O-N 3.24Å
451	Y	92.3	Very high	89.7	Confident	78 Å²	78	45.1 Å²	45.1	31%	0.306	24%	0.237	S	C	.	.	H	α-helix	trans	-67	-48.2	179.6	175.4	-91	0	0	0	112.7	K447 G448 L449 L453 A454 T455 Q461	K447-Y451 WeakPolarHBondContact O-CB 3.37Å; K447-Y451 PolarHBondContact O-N 2.98Å; G448-Y451 PolarHBondContact O-N 2.86Å; L449-Y451 VanDerWaalsContact C-N 3.32Å; L449-Y451 PolarHBondContact O-N 2.7Å; Y451-L453 VanDerWaalsContact C-N 3.32Å; Y451-L453 PolarHBondContact O-N 3.32Å; Y451-A454 PolarHBondContact O-N 3.22Å; Y451-T455 HydrophobicContact CD2-CG2 3.98Å; Y451-T455 HydrophobicContact CE1-CG2 4.37Å; Y451-T455 HydrophobicContact CE2-CG2 3.68Å; Y451-T455 HydrophobicContact CG-CG2 4.46Å; Y451-T455 WeakPolarHBondContact O-CB 3.25Å; Y451-T455 PolarHBondContact O-N 3.3Å; Y451-T455 PolarHBondContact O-OG1 2.89Å; Y451-Q461 HydrophobicContact CD1-CG 3.61Å; Y451-Q461 HydrophobicContact CE1-CB 4.18Å; Y451-Q461 HydrophobicContact CE1-CG 3.5Å; Y451-Q461 VanDerWaalsContact CE1-CG 3.5Å; Y451-Q461 HydrophobicContact CG-CG 4.33Å
452	S	92.2	Very high	89.1	Confident	2 Å²	2	48 Å²	48	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-40.1	-177.5	-75.6	0	0	0	0	111.8	G448 L449 G456 N457	G448-S452 PolarHBondContact O-N 2.95Å; G448-S452 VanDerWaalsContact O-N 3.13Å; L449-S452 PolarHBondContact O-N 2.97Å; S452-G456 WeakPolarHBondContact O-CA 3.47Å; S452-G456 PolarHBondContact O-N 3.48Å; S452-N457 WeakPolarHBondContact CA-O 3.24Å; S452-N457 WeakPolarHBondContact CB-O 3.33Å; S452-N457 PolarHBondContact OG-O 2.66Å; S452-N457 VanDerWaalsContact OG-O 3.09Å
453	L	93	Very high	88.4	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-73.6	-36.4	175.1	-63.4	171.1	0	0	0	112.7	P158 I192 L199 L405 L449 Y451 W458 S472	P158-L453 HydrophobicContact CB-CD1 3.98Å; P158-L453 HydrophobicContact CG-CD1 3.83Å; I192-L453 HydrophobicContact CD1-CB 3.07Å; I192-L453 HydrophobicContact CD1-CD1 3.58Å; I192-L453 HydrophobicContact CD1-CG 3.93Å; L199-L453 HydrophobicContact CD1-CD2 4.06Å; L199-L453 HydrophobicContact CD2-CD2 3.65Å; L199-L453 HydrophobicContact CG-CD2 4.26Å; L405-L453 HydrophobicContact CD2-CD2 4.22Å; L449-L453 WeakPolarHBondContact O-CB 3.35Å; L449-L453 VanDerWaalsContact O-CG 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.15Å; L449-L453 PolarHBondContact O-N 2.77Å; L449-L453 VanDerWaalsContact O-N 3.09Å; Y451-L453 VanDerWaalsContact C-N 3.32Å; Y451-L453 PolarHBondContact O-N 3.32Å; L453-W458 HydrophobicContact CD2-CH2 3.47Å; L453-W458 VanDerWaalsContact CD2-CH2 3.47Å; L453-W458 HydrophobicContact CD2-CZ3 3.81Å; L453-S472 WeakPolarHBondContact O-CB 3.4Å; L453-S472 PolarHBondContact O-OG 3.02Å
454	A	92.5	Very high	87.2	Confident	25 Å²	25	50.4 Å²	50.4	21%	0.207	26%	0.256	C	S	.	.	H	α-helix	trans	-68.3	-41.8	178.9	0	0	0	0	0	112.7	I192 K197 Q450 Y451	I192-A454 HydrophobicContact CG2-CB 4.05Å; K197-A454 WeakPolarHBondContact CE-O 3.44Å; K197-A454 PolarHBondContact NZ-O 3.31Å; Q450-A454 WeakPolarHBondContact O-CB 3.3Å; Q450-A454 PolarHBondContact O-N 3.24Å; Y451-A454 PolarHBondContact O-N 3.22Å
455	T	89.9	Confident	86	Confident	66 Å²	66	58.1 Å²	58.1	41%	0.405	29%	0.291	S	S	.	.	H	α-helix	trans	-90.7	-25.3	-176	61.2	0	0	0	0	113.8	Y451 N457	Y451-T455 HydrophobicContact CD2-CG2 3.98Å; Y451-T455 HydrophobicContact CE1-CG2 4.37Å; Y451-T455 HydrophobicContact CE2-CG2 3.68Å; Y451-T455 HydrophobicContact CG-CG2 4.46Å; Y451-T455 WeakPolarHBondContact O-CB 3.25Å; Y451-T455 PolarHBondContact O-N 3.3Å; Y451-T455 PolarHBondContact O-OG1 2.89Å; T455-N457 VanDerWaalsContact C-N 3.31Å; T455-N457 PolarHBondContact OG1-N 3.35Å
456	G	87.7	Confident	84.9	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.01	33%	0.327	C	S	.	.			trans	79.8	10.3	-172.2	0	0	0	0	0	114.4	S452 G470	S452-G456 WeakPolarHBondContact O-CA 3.47Å; S452-G456 PolarHBondContact O-N 3.48Å; G456-G470 PolarHBondContact O-N 2.86Å
457	N	87.6	Confident	83.7	Confident	41 Å²	41	65.2 Å²	65.2	22%	0.219	33%	0.325	C	S	.	.			trans	-90.5	110.6	174.6	-67.8	-34.2	0	0	0	110.3	S452 T455 G459 S467	S452-N457 WeakPolarHBondContact CA-O 3.24Å; S452-N457 WeakPolarHBondContact CB-O 3.33Å; S452-N457 PolarHBondContact OG-O 2.66Å; S452-N457 VanDerWaalsContact OG-O 3.09Å; T455-N457 VanDerWaalsContact C-N 3.31Å; T455-N457 PolarHBondContact OG1-N 3.35Å; N457-G459 PolarHBondContact O-N 2.75Å; N457-S467 WeakPolarHBondContact CB-OG 3.18Å
458	W	83.7	Confident	82.9	Confident	21 Å²	21	64.8 Å²	64.8	8%	0.08	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-90.9	101.6	-175.2	-134.3	-100.6	0	0	0	112.2	L199 L404 L405 L408 L453 S467 R468 V471	L199-W458 HydrophobicContact CD1-CH2 3.79Å; L199-W458 HydrophobicContact CD1-CZ2 4.4Å; L199-W458 HydrophobicContact CD2-CH2 3.4Å; L199-W458 HydrophobicContact CD2-CZ3 3.57Å; L199-W458 HydrophobicContact CG-CH2 4.24Å; L404-W458 HydrophobicContact CB-CZ2 3.72Å; L404-W458 PolarHBondContact O-NE1 2.99Å; L405-W458 HydrophobicContact CD2-CH2 4.42Å; L405-W458 HydrophobicContact CD2-CZ2 4.25Å; L408-W458 HydrophobicContact CD2-CZ2 4.35Å; L453-W458 HydrophobicContact CD2-CH2 3.47Å; L453-W458 VanDerWaalsContact CD2-CH2 3.47Å; L453-W458 HydrophobicContact CD2-CZ3 3.81Å; W458-S467 WeakPolarHBondContact O-CB 3.16Å; W458-R468 HydrophobicContact CB-CB 4.43Å; W458-R468 PolarHBondContact N-O 3.22Å; W458-V471 HydrophobicContact CB-CG2 4.27Å; W458-V471 HydrophobicContact CD2-CB 4.21Å; W458-V471 HydrophobicContact CD2-CG1 3.93Å; W458-V471 HydrophobicContact CE3-CB 3.76Å; W458-V471 HydrophobicContact CE3-CG1 3.67Å; W458-V471 HydrophobicContact CH2-CG1 4.27Å; W458-V471 HydrophobicContact CZ3-CB 4.24Å; W458-V471 HydrophobicContact CZ3-CG1 3.86Å
459	G	78.9	Confident	82.3	Confident	33 Å²	33	67.9 Å²	67.9	34%	0.34	34%	0.344	S	S	.	.	S	Bend	trans	134	-155.6	175.4	0	0	0	0	0	114.5	N457 Q461	N457-G459 PolarHBondContact O-N 2.75Å; G459-Q461 PolarHBondContact O-N 2.95Å
460	D	74.5	Confident	81.5	Confident	85 Å²	85	68.9 Å²	68.9	46%	0.455	36%	0.355	S	S	.	.			trans	-67.6	125.6	-179.4	-174.4	1.3	0	0	0	111.1	K462 K463 A464	D460-K462 PolarHBondContact O-N 3.37Å; D460-K462 PolarHBondContact OD1-N 3.31Å; D460-K462 VanDerWaalsContact OD1-N 3.11Å; D460-K463 CarbonylContact O-C 3.46Å; D460-K463 PolarHBondContact O-N 2.8Å; D460-A464 PolarHBondContact O-N 2.9Å
461	Q	78.4	Confident	81.2	Confident	96 Å²	96	66.6 Å²	66.6	45%	0.449	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-56.1	-33.8	179	-53.4	-173.4	-11.2	0	0	111.8	Y451 G459 K463 A464	Y451-Q461 HydrophobicContact CD1-CG 3.61Å; Y451-Q461 HydrophobicContact CE1-CB 4.18Å; Y451-Q461 HydrophobicContact CE1-CG 3.5Å; Y451-Q461 VanDerWaalsContact CE1-CG 3.5Å; Y451-Q461 HydrophobicContact CG-CG 4.33Å; G459-Q461 PolarHBondContact O-N 2.95Å; Q461-K463 PolarHBondContact O-N 3.17Å; Q461-A464 WeakPolarHBondContact O-CB 3.21Å; Q461-A464 PolarHBondContact O-N 2.96Å
462	K	78.2	Confident	81.2	Confident	189 Å²	189	63.2 Å²	63.2	82%	0.822	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-64.5	-24.5	178.9	-64.3	-178.4	-179.8	-179.8	0	112.9	D460	D460-K462 PolarHBondContact O-N 3.37Å; D460-K462 PolarHBondContact OD1-N 3.31Å; D460-K462 VanDerWaalsContact OD1-N 3.11Å
463	K	78.9	Confident	81.3	Confident	129 Å²	129	65.5 Å²	65.5	56%	0.561	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-113.5	31.8	178.2	-62.9	-175.3	-179.7	-179.5	0	111.7	D460 Q461 H465 Q466 S467	D460-K463 CarbonylContact O-C 3.46Å; D460-K463 PolarHBondContact O-N 2.8Å; Q461-K463 PolarHBondContact O-N 3.17Å; K463-H465 PolarHBondContact O-N 3.45Å; K463-H465 VanDerWaalsContact O-N 3.08Å; K463-Q466 PolarHBondContact O-N 3.15Å; K463-S467 PolarHBondContact O-N 3.41Å
464	A	67	Low	81.4	Confident	25 Å²	25	69.5 Å²	69.5	21%	0.207	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-51	-37.4	-176.5	0	0	0	0	0	113.7	D460 Q461 Q466 S467	D460-A464 PolarHBondContact O-N 2.9Å; Q461-A464 WeakPolarHBondContact O-CB 3.21Å; Q461-A464 PolarHBondContact O-N 2.96Å; A464-Q466 VanDerWaalsContact C-N 3.27Å; A464-Q466 PolarHBondContact O-N 2.78Å; A464-S467 WeakPolarHBondContact O-CB 3.45Å; A464-S467 PolarHBondContact O-N 2.84Å; A464-S467 VanDerWaalsContact O-N 3.1Å; A464-S467 PolarHBondContact O-OG 2.8Å
465	H	68.9	Low	81.6	Confident	198 Å²	198	68.8 Å²	68.8	92%	0.917	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-66.8	-23.1	178.8	-64.4	82.9	0	0	0	114.3	K463	K463-H465 PolarHBondContact O-N 3.45Å; K463-H465 VanDerWaalsContact O-N 3.08Å
466	Q	72.2	Confident	81.7	Confident	160 Å²	160	68.3 Å²	68.3	75%	0.748	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-95.4	-11.3	175	-64.6	179.3	-8.6	0	0	112.1	K463 A464	K463-Q466 PolarHBondContact O-N 3.15Å; A464-Q466 VanDerWaalsContact C-N 3.27Å; A464-Q466 PolarHBondContact O-N 2.78Å
467	S	67.9	Low	82	Confident	20 Å²	20	69.3 Å²	69.3	14%	0.14	36%	0.358	C	S	.	.	S	Bend	trans	-69.2	149.3	-179.7	77.3	0	0	0	0	110.5	N457 W458 K463 A464 A469	N457-S467 WeakPolarHBondContact CB-OG 3.18Å; W458-S467 WeakPolarHBondContact O-CB 3.16Å; K463-S467 PolarHBondContact O-N 3.41Å; A464-S467 WeakPolarHBondContact O-CB 3.45Å; A464-S467 PolarHBondContact O-N 2.84Å; A464-S467 VanDerWaalsContact O-N 3.1Å; A464-S467 PolarHBondContact O-OG 2.8Å; S467-A469 PolarHBondContact O-N 2.96Å
468	R	76.1	Confident	82.2	Confident	129 Å²	129	68.1 Å²	68.1	49%	0.487	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-67.6	108.5	174.2	-64.8	-179	-175.7	175.5	1	107.7	W458 V471	W458-R468 HydrophobicContact CB-CB 4.43Å; W458-R468 PolarHBondContact N-O 3.22Å; R468-V471 HydrophobicContact CB-CG2 4Å
469	A	80.5	Confident	82.7	Confident	73 Å²	73	67.3 Å²	67.3	60%	0.603	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	149.8	177.5	0	0	0	0	0	111.2	S467	S467-A469 PolarHBondContact O-N 2.96Å
470	G	77.4	Confident	83.4	Confident	25 Å²	25	66.5 Å²	66.5	26%	0.258	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	13	171.7	0	0	0	0	0	115.3	G456 Q473	G456-G470 PolarHBondContact O-N 2.86Å; G470-Q473 PolarHBondContact O-NE2 2.91Å
471	V	87.7	Confident	84.3	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	32%	0.317	C	S	.	.	S	Bend	trans	-67.8	-44.7	172.7	179.9	0	0	0	0	110.6	I200 Q202 L404 W458 R468	I200-V471 PolarHBondContact N-O 2.74Å; Q202-V471 HydrophobicContact CG-CG1 4.41Å; Q202-V471 HydrophobicContact CG-CG2 4.28Å; L404-V471 HydrophobicContact CD1-CG1 3.68Å; L404-V471 HydrophobicContact CD2-CG1 4.38Å; W458-V471 HydrophobicContact CB-CG2 4.27Å; W458-V471 HydrophobicContact CD2-CB 4.21Å; W458-V471 HydrophobicContact CD2-CG1 3.93Å; W458-V471 HydrophobicContact CE3-CB 3.76Å; W458-V471 HydrophobicContact CE3-CG1 3.67Å; W458-V471 HydrophobicContact CH2-CG1 4.27Å; W458-V471 HydrophobicContact CZ3-CB 4.24Å; W458-V471 HydrophobicContact CZ3-CG1 3.86Å; R468-V471 HydrophobicContact CB-CG2 4Å
472	S	93.1	Very high	85.1	Confident	7 Å²	7	58.2 Å²	58.2	5%	0.049	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.9	170	-167.8	0	0	0	0	111.1	V198 L453	V198-S472 WeakPolarHBondContact O-CA 3.31Å; V198-S472 PolarHBondContact O-OG 2.84Å; L453-S472 WeakPolarHBondContact O-CB 3.4Å; L453-S472 PolarHBondContact O-OG 3.02Å
473	Q	93.8	Very high	85.9	Confident	51 Å²	51	49.3 Å²	49.3	24%	0.238	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157.4	179	-60.8	-177.4	15.5	0	0	109.9	K197 V198 I200 G470 H486	K197-Q473 CarbonylContact C-O 3.59Å; K197-Q473 WeakPolarHBondContact CA-O 3.47Å; V198-Q473 HydrophobicContact CG1-CB 4.37Å; V198-Q473 PolarHBondContact N-O 2.86Å; V198-Q473 PolarHBondContact O-N 2.79Å; I200-Q473 HydrophobicContact CG1-CG 4.13Å; G470-Q473 PolarHBondContact O-NE2 2.91Å; Q473-H486 PolarHBondContact OE1-NE2 3.2Å
474	V	95	Very high	86.7	Confident	84 Å²	84	43.2 Å²	43.2	51%	0.509	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	131.6	172.8	179.1	0	0	0	0	108.8	E196 K197 N476 H486	E196-V474 CarbonylContact O-C 3.55Å; E196-V474 VanDerWaalsContact O-CA 3.32Å; E196-V474 WeakPolarHBondContact O-CA 3.46Å; K197-V474 HydrophobicContact CD-CG2 4.2Å; V474-N476 PolarHBondContact O-N 3.11Å; V474-H486 PolarHBondContact O-CE1 2.99Å
475	L	95.8	Very high	88.1	Confident	11 Å²	11	42 Å²	42	6%	0.058	22%	0.221	C	C	.	.			trans	-58.4	137.5	178.7	-175.8	64.5	0	0	0	110.3	Y189 E196 V198 R477 H486 L487	Y189-L475 HydrophobicContact CD1-CD2 3.88Å; Y189-L475 HydrophobicContact CD2-CD2 4.39Å; Y189-L475 HydrophobicContact CE1-CD2 4.2Å; Y189-L475 HydrophobicContact CG-CD2 4.01Å; E196-L475 HydrophobicContact CB-CB 3.98Å; E196-L475 HydrophobicContact CB-CD2 4.49Å; E196-L475 PolarHBondContact O-N 2.94Å; V198-L475 HydrophobicContact CB-CD1 4.43Å; V198-L475 HydrophobicContact CG1-CD1 4.48Å; L475-R477 HydrophobicContact CD2-CG 4.16Å; L475-R477 HydrophobicContact CG-CG 4.27Å; L475-R477 PolarHBondContact O-N 2.9Å; L475-H486 HydrophobicContact CD1-CB 4.21Å; L475-L487 HydrophobicContact CD1-CD2 4.28Å; L475-L487 HydrophobicContact CD1-CG 4.13Å
476	N	93.7	Very high	89.4	Confident	55 Å²	55	32.9 Å²	32.9	29%	0.294	18%	0.179	S	C	.	.			trans	-94.8	90.1	-175.8	-178.4	18.7	0	0	0	109.9	V474 L478 S483 H486	V474-N476 PolarHBondContact O-N 3.11Å; N476-L478 VanDerWaalsContact C-N 3.34Å; N476-L478 PolarHBondContact O-N 3.08Å; N476-S483 PolarHBondContact O-OG 3.06Å; N476-H486 PolarHBondContact N-ND1 2.83Å
477	R	92.4	Very high	90.5	Very high	23 Å²	23	25.3 Å²	25.3	9%	0.087	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	56.9	178.9	-68.8	-146.9	-173.2	-99.9	1.2	113.6	D185 Y189 E196 L475 Y742	D185-R477 IonicContact OD1-CZ 3.09Å; D185-R477 IonicContact OD1-NH1 3.49Å; D185-R477 PolarHBondContact OD1-NH1 3.2Å; D185-R477 IonicContact OD1-NH2 3.06Å; D185-R477 PolarHBondContact OD1-NH2 3.07Å; D185-R477 IonicContact OD2-NH2 2.86Å; Y189-R477 PolarHBondContact OH-NH2 3.17Å; E196-R477 VanDerWaalsContact CD-NE 3.33Å; E196-R477 VanDerWaalsContact CD-NH2 3.35Å; E196-R477 IonicContact OE1-CZ 2.71Å; E196-R477 IonicContact OE1-NE 3.68Å; E196-R477 PolarHBondContact OE1-NE 3.07Å; E196-R477 IonicContact OE1-NH2 3.46Å; E196-R477 PolarHBondContact OE1-NH2 3.36Å; E196-R477 WeakPolarHBondContact OE2-CD 3.31Å; E196-R477 IonicContact OE2-CZ 3.08Å; E196-R477 IonicContact OE2-NE 3.87Å; E196-R477 PolarHBondContact OE2-NE 3.26Å; E196-R477 IonicContact OE2-NH2 2.64Å; E196-R477 PolarHBondContact OE2-NH2 3.03Å; L475-R477 HydrophobicContact CD2-CG 4.16Å; L475-R477 HydrophobicContact CG-CG 4.27Å; L475-R477 PolarHBondContact O-N 2.9Å; R477-Y742 HydrophobicContact CB-CD2 4.08Å; R477-Y742 HydrophobicContact CB-CE2 4.46Å
478	L	92.5	Very high	91.9	Very high	16 Å²	16	24.7 Å²	24.7	8%	0.084	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-42.4	170.6	-166.9	75.5	0	0	0	111.9	N476 K736 Q737 A738 K1064	N476-L478 VanDerWaalsContact C-N 3.34Å; N476-L478 PolarHBondContact O-N 3.08Å; L478-K736 VanDerWaalsContact CD2-O 3.27Å; L478-K736 WeakPolarHBondContact CD2-O 3.44Å; L478-Q737 VanDerWaalsContact CD2-C 3.47Å; L478-Q737 VanDerWaalsContact CD2-CA 3.43Å; L478-Q737 WeakPolarHBondContact CD2-O 3.48Å; L478-A738 VanDerWaalsContact CD2-O 3.3Å; L478-A738 WeakPolarHBondContact CD2-O 3.33Å; L478-K1064 HydrophobicContact CD1-CB 4.3Å; L478-K1064 HydrophobicContact CD1-CD 4.27Å; L478-K1064 HydrophobicContact CD2-CB 4.24Å; L478-K1064 HydrophobicContact CD2-CD 3.84Å; L478-K1064 HydrophobicContact CD2-CG 4.31Å
479	T	93.8	Very high	92.8	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.025	12%	0.122	C	C	.	.	S	Bend	trans	-139.9	164.3	174.3	58.1	0	0	0	0	109.2	A481 A482 S483 A738 A780	T479-A481 VanDerWaalsContact C-N 3.34Å; T479-A482 PolarHBondContact O-N 2.81Å; T479-A482 VanDerWaalsContact OG1-CB 3.29Å; T479-A482 WeakPolarHBondContact OG1-CB 3.27Å; T479-A482 PolarHBondContact OG1-N 3.47Å; T479-A482 VanDerWaalsContact OG1-N 3.07Å; T479-S483 PolarHBondContact O-N 2.81Å; T479-S483 VanDerWaalsContact O-N 3.13Å; T479-S483 PolarHBondContact O-OG 3.12Å; T479-A738 HydrophobicContact CG2-CB 4.36Å; T479-A738 WeakPolarHBondContact CG2-O 3.47Å; T479-A780 HydrophobicContact CG2-CB 4.1Å
480	Y	94.5	Very high	93.5	Very high	16 Å²	16	17 Å²	17	6%	0.063	9%	0.093	C	C	.	.	H	α-helix	trans	-59.7	-46.6	173.5	-173	-113.4	0	0	0	111.3	M184 A482 S483 L484 L773 R774 L778	M184-Y480 WeakPolarHBondContact O-CE2 3.4Å; M184-Y480 PolarHBondContact O-OH 3.11Å; Y480-A482 VanDerWaalsContact C-N 3.34Å; Y480-A482 PolarHBondContact O-N 3.47Å; Y480-S483 WeakPolarHBondContact O-CB 3.35Å; Y480-S483 PolarHBondContact O-N 3.39Å; Y480-L484 HydrophobicContact CD1-CD1 3.83Å; Y480-L484 HydrophobicContact CD1-CG 4.46Å; Y480-L484 HydrophobicContact CE1-CD1 3.4Å; Y480-L484 HydrophobicContact CE1-CG 4.08Å; Y480-L484 PolarHBondContact O-N 3.38Å; Y480-L773 WeakPolarHBondContact CD1-O 3.18Å; Y480-L773 WeakPolarHBondContact CE1-O 3.27Å; Y480-R774 HydrophobicContact CE1-CB 4.15Å; Y480-L778 HydrophobicContact CD1-CD1 4.47Å; Y480-L778 HydrophobicContact CD2-CD1 3.92Å; Y480-L778 HydrophobicContact CG-CD1 3.91Å
481	A	93.9	Very high	94.2	Very high	7 Å²	7	16.7 Å²	16.7	6%	0.058	9%	0.086	C	C	.	.	H	α-helix	trans	-59.2	-38.9	175.5	0	0	0	0	0	113.4	T479 S483 S485	T479-A481 VanDerWaalsContact C-N 3.34Å; A481-S483 VanDerWaalsContact C-N 3.3Å; A481-S483 PolarHBondContact O-N 3.49Å; A481-S485 VanDerWaalsContact O-CB 3.25Å; A481-S485 WeakPolarHBondContact O-CB 3.23Å; A481-S485 PolarHBondContact O-N 3.33Å
482	A	94.5	Very high	94.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.8	-35.4	175.5	0	0	0	0	0	112.3	T479 Y480 H486 K736	T479-A482 PolarHBondContact O-N 2.81Å; T479-A482 VanDerWaalsContact OG1-CB 3.29Å; T479-A482 WeakPolarHBondContact OG1-CB 3.27Å; T479-A482 PolarHBondContact OG1-N 3.47Å; T479-A482 VanDerWaalsContact OG1-N 3.07Å; Y480-A482 VanDerWaalsContact C-N 3.34Å; Y480-A482 PolarHBondContact O-N 3.47Å; A482-H486 WeakPolarHBondContact O-CB 3.41Å; A482-H486 PolarHBondContact O-N 3.35Å; A482-K736 HydrophobicContact CB-CB 4.24Å
483	S	95.5	Very high	94	Very high	1 Å²	1	20 Å²	20	1%	0.007	11%	0.107	C	C	.	.	H	α-helix	trans	-68.5	-49.1	178.3	-54.4	0	0	0	0	110.6	N476 T479 Y480 A481 H486 L487	N476-S483 PolarHBondContact O-OG 3.06Å; T479-S483 PolarHBondContact O-N 2.81Å; T479-S483 VanDerWaalsContact O-N 3.13Å; T479-S483 PolarHBondContact O-OG 3.12Å; Y480-S483 WeakPolarHBondContact O-CB 3.35Å; Y480-S483 PolarHBondContact O-N 3.39Å; A481-S483 VanDerWaalsContact C-N 3.3Å; A481-S483 PolarHBondContact O-N 3.49Å; S483-H486 PolarHBondContact O-N 3.4Å; S483-L487 WeakPolarHBondContact O-CG 3.45Å; S483-L487 PolarHBondContact O-N 3.48Å; S483-L487 VanDerWaalsContact O-N 3.1Å
484	L	95.5	Very high	93.6	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-59.4	-49.1	175.6	-71.1	175.3	0	0	0	112.3	L44 V45 P186 Y480 H486 L487 R488 V712 L773	L44-L484 HydrophobicContact CB-CD2 4.2Å; L44-L484 HydrophobicContact CD1-CD1 3.73Å; L44-L484 HydrophobicContact CD1-CD2 3.91Å; L44-L484 HydrophobicContact CD1-CG 4.45Å; V45-L484 HydrophobicContact CG1-CD2 4.46Å; P186-L484 HydrophobicContact CB-CD2 4Å; P186-L484 HydrophobicContact CG-CD2 3.83Å; Y480-L484 HydrophobicContact CD1-CD1 3.83Å; Y480-L484 HydrophobicContact CD1-CG 4.46Å; Y480-L484 HydrophobicContact CE1-CD1 3.4Å; Y480-L484 HydrophobicContact CE1-CG 4.08Å; Y480-L484 PolarHBondContact O-N 3.38Å; L484-H486 PolarHBondContact O-N 3.06Å; L484-L487 PolarHBondContact O-N 3.04Å; L484-R488 WeakPolarHBondContact O-CG 3.42Å; L484-R488 PolarHBondContact O-N 3.32Å; L484-R488 VanDerWaalsContact O-N 3.16Å; L484-V712 HydrophobicContact CB-CG1 3.96Å; L484-V712 HydrophobicContact CB-CG2 4.42Å; L484-V712 HydrophobicContact CD1-CG1 4.41Å; L484-L773 HydrophobicContact CD1-CD2 4.35Å
485	S	95.9	Very high	92.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-57.3	-37.6	175.7	169.3	0	0	0	0	112.1	A481 R488 R489 E518 N530 K736	A481-S485 VanDerWaalsContact O-CB 3.25Å; A481-S485 WeakPolarHBondContact O-CB 3.23Å; A481-S485 PolarHBondContact O-N 3.33Å; S485-R488 PolarHBondContact O-N 3.38Å; S485-R489 PolarHBondContact O-N 3.3Å; S485-E518 WeakPolarHBondContact CB-OE1 3.35Å; S485-E518 PolarHBondContact OG-OE1 3.35Å; S485-N530 PolarHBondContact O-OD1 3.04Å; S485-K736 WeakPolarHBondContact OG-CE 3.36Å; S485-K736 PolarHBondContact OG-NZ 2.85Å
486	H	96.1	Very high	92.2	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-69.6	-37.8	179.3	-157.3	174.9	0	0	0	112.5	Q473 V474 L475 N476 A482 S483 L484 R488 R489	Q473-H486 PolarHBondContact OE1-NE2 3.2Å; V474-H486 PolarHBondContact O-CE1 2.99Å; L475-H486 HydrophobicContact CD1-CB 4.21Å; N476-H486 PolarHBondContact N-ND1 2.83Å; A482-H486 WeakPolarHBondContact O-CB 3.41Å; A482-H486 PolarHBondContact O-N 3.35Å; S483-H486 PolarHBondContact O-N 3.4Å; L484-H486 PolarHBondContact O-N 3.06Å; H486-R488 VanDerWaalsContact C-N 3.3Å; H486-R488 PolarHBondContact O-N 3.33Å; H486-R489 VanDerWaalsContact CD2-CZ 3.46Å; H486-R489 PolarHBondContact CD2-NH1 3.02Å; H486-R489 VanDerWaalsContact CD2-NH1 3.34Å; H486-R489 PolarHBondContact NE2-NH1 3.35Å; H486-R489 VanDerWaalsContact NE2-NH1 3.19Å; H486-R489 WeakPolarHBondContact O-CB 3.11Å; H486-R489 PolarHBondContact O-N 2.9Å
487	L	96	Very high	91.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-68.3	-28.8	178	-68.3	161.1	0	0	0	112.7	V45 Q48 P186 G188 V198 L475 S483 L484	V45-L487 HydrophobicContact CG1-CB 3.84Å; V45-L487 HydrophobicContact CG1-CD1 3.84Å; V45-L487 HydrophobicContact CG1-CG 4.4Å; Q48-L487 PolarHBondContact NE2-O 3.29Å; Q48-L487 VanDerWaalsContact NE2-O 3.14Å; P186-L487 HydrophobicContact CG-CD1 3.69Å; G188-L487 VanDerWaalsContact O-CD2 3.29Å; G188-L487 WeakPolarHBondContact O-CD2 3.31Å; V198-L487 HydrophobicContact CB-CD2 4.39Å; V198-L487 HydrophobicContact CG2-CD2 3.7Å; L475-L487 HydrophobicContact CD1-CD2 4.28Å; L475-L487 HydrophobicContact CD1-CG 4.13Å; S483-L487 WeakPolarHBondContact O-CG 3.45Å; S483-L487 PolarHBondContact O-N 3.48Å; S483-L487 VanDerWaalsContact O-N 3.1Å; L484-L487 PolarHBondContact O-N 3.04Å
488	R	96	Very high	90.9	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.026	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	12.6	179.4	-58.1	-168.2	75.2	172.5	7.9	114.4	L44 L484 S485 H486 L531 A532 L533	L44-R488 VanDerWaalsContact O-CD 3.31Å; L44-R488 WeakPolarHBondContact O-CD 3.48Å; L44-R488 PolarHBondContact O-NE 2.81Å; L484-R488 WeakPolarHBondContact O-CG 3.42Å; L484-R488 PolarHBondContact O-N 3.32Å; L484-R488 VanDerWaalsContact O-N 3.16Å; S485-R488 PolarHBondContact O-N 3.38Å; H486-R488 VanDerWaalsContact C-N 3.3Å; H486-R488 PolarHBondContact O-N 3.33Å; R488-L531 HydrophobicContact CB-CB 4.4Å; R488-L531 PolarHBondContact O-N 3.36Å; R488-L531 VanDerWaalsContact O-N 3.1Å; R488-A532 PolarHBondContact NH2-O 3.37Å; R488-L533 PolarHBondContact NH1-O 3.32Å; R488-L533 VanDerWaalsContact NH1-O 3.09Å; R488-L533 PolarHBondContact NH2-O 2.92Å
489	R	95.8	Very high	90	Very high	39 Å²	39	40.9 Å²	40.9	15%	0.147	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.8	-178.5	-176.4	-179.2	-64.7	166.2	7.8	111.6	I200 A201 S485 H486 V528	I200-R489 HydrophobicContact CD1-CB 4.24Å; I200-R489 HydrophobicContact CG2-CB 4.42Å; I200-R489 HydrophobicContact CG2-CG 4.09Å; I200-R489 WeakPolarHBondContact CG2-O 3.34Å; A201-R489 PolarHBondContact N-O 3.03Å; S485-R489 PolarHBondContact O-N 3.3Å; H486-R489 VanDerWaalsContact CD2-CZ 3.46Å; H486-R489 PolarHBondContact CD2-NH1 3.02Å; H486-R489 VanDerWaalsContact CD2-NH1 3.34Å; H486-R489 PolarHBondContact NE2-NH1 3.35Å; H486-R489 VanDerWaalsContact NE2-NH1 3.19Å; H486-R489 WeakPolarHBondContact O-CB 3.11Å; H486-R489 PolarHBondContact O-N 2.9Å; R489-V528 VanDerWaalsContact CD-CG1 3.49Å; R489-V528 HydrophobicContact CG-CG1 3.63Å
490	L	94.3	Very high	89.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.3	170	67.6	96.4	0	0	0	111.6	A201 L398 I514 V528 K529 L531	A201-L490 HydrophobicContact CB-CB 3.88Å; A201-L490 CarbonylContact O-C 3.59Å; A201-L490 WeakPolarHBondContact O-CA 3.29Å; L398-L490 HydrophobicContact CD1-CD2 4.24Å; L398-L490 HydrophobicContact CD2-CB 4.16Å; L398-L490 HydrophobicContact CD2-CD1 4.41Å; L490-I514 HydrophobicContact CD1-CD1 4.23Å; L490-I514 HydrophobicContact CD2-CD1 3.73Å; L490-I514 HydrophobicContact CD2-CG1 4.17Å; L490-V528 WeakPolarHBondContact O-CA 3.46Å; L490-K529 HydrophobicContact CD1-CB 3.7Å; L490-K529 HydrophobicContact CD1-CD 3.94Å; L490-K529 HydrophobicContact CD1-CG 3.98Å; L490-K529 HydrophobicContact CD2-CB 4.32Å; L490-K529 HydrophobicContact CG-CB 3.88Å; L490-K529 PolarHBondContact N-O 3.34Å; L490-K529 PolarHBondContact O-N 2.84Å; L490-L531 HydrophobicContact CD2-CD2 3.8Å; L490-L531 HydrophobicContact CD2-CG 4.29Å
491	N	93.5	Very high	89.2	Confident	19 Å²	19	48.4 Å²	48.4	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.8	-174.5	178.5	65.5	0	0	0	110.9	I200 A201 Q202 E203	I200-N491 HydrophobicContact CG2-CB 3.81Å; A201-N491 PolarHBondContact O-N 3.31Å; Q202-N491 PolarHBondContact OE1-ND2 3.24Å; E203-N491 PolarHBondContact N-O 2.64Å
492	S	91	Very high	88.9	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.021	29%	0.291	C	S	.	.			trans	-82.9	121.7	169	-45.3	0	0	0	0	109.5	E203 I494 L527	E203-S492 PolarHBondContact OE2-OG 3.49Å; S492-I494 PolarHBondContact O-N 3.06Å; S492-L527 PolarHBondContact N-O 2.96Å; S492-L527 PolarHBondContact OG-O 2.88Å
493	P	85	Confident	88.6	Confident	76 Å²	76	56.3 Å²	56.3	49%	0.494	30%	0.298	S	S	.	.			trans	-79.1	52.7	-172.2	34	-37.9	0	0	0	112.6	E203	E203-P493 WeakPolarHBondContact O-CD 3.36Å; E203-P493 WeakPolarHBondContact O-CG 3.21Å
494	I	84.5	Confident	88.4	Confident	73 Å²	73	58.3 Å²	58.3	37%	0.374	31%	0.306	S	S	.	.	S	Bend	trans	-105.4	144	178.2	-59.5	173.7	0	0	0	109	S492 R496 P503 L527	S492-I494 PolarHBondContact O-N 3.06Å; I494-R496 PolarHBondContact O-N 3.32Å; I494-P503 HydrophobicContact CD1-CB 3.58Å; I494-P503 HydrophobicContact CD1-CG 3.89Å; I494-L527 HydrophobicContact CB-CD2 4.06Å; I494-L527 HydrophobicContact CD1-CD2 4.22Å
495	G	79.7	Confident	88.3	Confident	55 Å²	55	64.3 Å²	64.3	57%	0.567	33%	0.333	S	S	*	.			trans	-56.9	123.8	175.7	0	0	0	0	0	111.7	E497 G498	G495-E497 PolarHBondContact O-N 3.34Å; G495-G498 PolarHBondContact O-N 2.76Å; G495-G498 VanDerWaalsContact O-N 3.15Å
496	R	81.8	Confident	88.3	Confident	129 Å²	129	69.6 Å²	69.6	49%	0.487	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.9	-173.9	-65	-179.5	-178.7	176.9	0.6	113.8	I494 G498 R504 L527	I494-R496 PolarHBondContact O-N 3.32Å; R496-G498 VanDerWaalsContact C-N 3.3Å; R496-R504 PolarHBondContact O-NH2 2.86Å; R496-L527 HydrophobicContact CG-CD1 4.39Å
497	E	82.1	Confident	88.3	Confident	176 Å²	176	71.1 Å²	71.1	82%	0.822	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.4	179.1	-62.2	178.6	-179.9	0	0	112.7	G495 K499	G495-E497 PolarHBondContact O-N 3.34Å; E497-K499 PolarHBondContact O-N 3.06Å
498	G	76.5	Confident	88.3	Confident	35 Å²	35	77.3 Å²	77.3	36%	0.361	40%	0.401	S	S	.	.			trans	-64.7	128.1	178.6	0	0	0	0	0	112	G495 R496 L500 R504	G495-G498 PolarHBondContact O-N 2.76Å; G495-G498 VanDerWaalsContact O-N 3.15Å; R496-G498 VanDerWaalsContact C-N 3.3Å; G498-L500 VanDerWaalsContact C-N 3.25Å; G498-L500 PolarHBondContact O-N 3.42Å; G498-R504 PolarHBondContact O-NH2 2.77Å
499	K	74.4	Confident	88.3	Confident	209 Å²	209	77.7 Å²	77.7	91%	0.909	41%	0.405	S	S	*	.			trans	-84.6	16.6	177.2	-63	-175.1	179.4	-179.9	0	114	E497 A501	E497-K499 PolarHBondContact O-N 3.06Å; K499-A501 PolarHBondContact O-N 2.78Å
500	L	83.6	Confident	88.3	Confident	123 Å²	123	76.2 Å²	76.2	64%	0.644	40%	0.4	S	S	*	.			trans	-69.8	116.2	177.7	-67.6	170.8	0	0	0	109.6	G498 P503 R504	G498-L500 VanDerWaalsContact C-N 3.25Å; G498-L500 PolarHBondContact O-N 3.42Å; L500-P503 HydrophobicContact CB-CG 4.35Å; L500-R504 WeakPolarHBondContact O-CD 3.45Å
501	A	86.8	Confident	88.4	Confident	55 Å²	55	81 Å²	81	46%	0.455	42%	0.418	S	S	.	.			trans	-76	-41.1	-175.6	0	0	0	0	0	113	K499 R504 Q505	K499-A501 PolarHBondContact O-N 2.78Å; A501-R504 WeakPolarHBondContact O-CA 3.42Å; A501-R504 WeakPolarHBondContact O-CB 3.48Å; A501-R504 PolarHBondContact O-N 2.82Å; A501-Q505 WeakPolarHBondContact O-CG 3.25Å; A501-Q505 PolarHBondContact O-N 2.99Å; A501-Q505 VanDerWaalsContact O-N 3.12Å
502	K	88.1	Confident	88.4	Confident	151 Å²	151	80.4 Å²	80.4	66%	0.657	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-49.4	-55	-172.6	-70.2	-165.5	169	-157.8	0	115.1	D391 R504 Q505	D391-K502 WeakPolarHBondContact OD2-CB 3.32Å; K502-R504 PolarHBondContact O-N 3.12Å; K502-Q505 PolarHBondContact O-N 3.02Å; K502-Q505 VanDerWaalsContact O-N 3.13Å
503	P	89.4	Confident	88.6	Confident	22 Å²	22	80.2 Å²	80.2	14%	0.143	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-69	-10.5	-179.5	28.3	-37.1	0	0	0	114.3	I494 L500	I494-P503 HydrophobicContact CD1-CB 3.58Å; I494-P503 HydrophobicContact CD1-CG 3.89Å; L500-P503 HydrophobicContact CB-CG 4.35Å
504	R	91.3	Very high	89.1	Confident	44 Å²	44	76.8 Å²	76.8	17%	0.166	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-96.2	-18.2	178.2	-58.2	177	176.6	-90.9	9.2	112.7	R496 G498 L500 A501 K502 Q523 V525 G526 L527	R496-R504 PolarHBondContact O-NH2 2.86Å; G498-R504 PolarHBondContact O-NH2 2.77Å; L500-R504 WeakPolarHBondContact O-CD 3.45Å; A501-R504 WeakPolarHBondContact O-CA 3.42Å; A501-R504 WeakPolarHBondContact O-CB 3.48Å; A501-R504 PolarHBondContact O-N 2.82Å; K502-R504 PolarHBondContact O-N 3.12Å; R504-Q523 PolarHBondContact NH1-O 2.88Å; R504-Q523 PolarHBondContact NH2-O 3.42Å; R504-V525 WeakPolarHBondContact CG-O 3.09Å; R504-V525 PolarHBondContact NH1-O 2.83Å; R504-G526 WeakPolarHBondContact O-CA 3.19Å; R504-L527 HydrophobicContact CG-CD2 4.12Å; R504-L527 HydrophobicContact CG-CG 4.29Å
505	Q	93.1	Very high	89.7	Confident	126 Å²	126	73.6 Å²	73.6	59%	0.589	38%	0.376	S	S	*	.	S	Bend	trans	-71.4	150.2	178.8	-74.2	172.2	-13.9	0	0	110	A501 K502 H507	A501-Q505 WeakPolarHBondContact O-CG 3.25Å; A501-Q505 PolarHBondContact O-N 2.99Å; A501-Q505 VanDerWaalsContact O-N 3.12Å; K502-Q505 PolarHBondContact O-N 3.02Å; K502-Q505 VanDerWaalsContact O-N 3.13Å; Q505-H507 PolarHBondContact O-N 3.23Å
506	L	95	Very high	90.5	Very high	113 Å²	113	73.7 Å²	73.7	59%	0.592	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-70.4	117	171.3	-172.3	76.6	0	0	0	108.1	L510 P516	L506-L510 HydrophobicContact CD1-CB 4.37Å; L506-L510 HydrophobicContact CD1-CD1 3.72Å; L506-L510 HydrophobicContact CG-CD1 4.45Å; L506-P516 HydrophobicContact CD1-CB 4.24Å; L506-P516 HydrophobicContact CD2-CB 3.92Å
507	H	95.9	Very high	91.1	Very high	38 Å²	38	67.9 Å²	67.9	18%	0.176	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-89.2	146.9	176.3	-165.4	-81.6	0	0	0	109.7	D389 Q505 T509 L510	D389-H507 IonicContact OD2-CD2 2.83Å; D389-H507 IonicContact OD2-NE2 3.55Å; D389-H507 PolarHBondContact OD2-NE2 2.59Å; D389-H507 VanDerWaalsContact OD2-NE2 3.09Å; Q505-H507 PolarHBondContact O-N 3.23Å; H507-T509 VanDerWaalsContact C-N 3.29Å; H507-T509 VanDerWaalsContact CE1-CG2 3.46Å; H507-T509 WeakPolarHBondContact CE1-CG2 3.46Å; H507-T509 PolarHBondContact CE1-OG1 2.95Å; H507-T509 WeakPolarHBondContact ND1-CG2 3.45Å; H507-T509 PolarHBondContact ND1-N 2.95Å; H507-T509 PolarHBondContact ND1-OG1 2.94Å; H507-T509 PolarHBondContact O-N 3.49Å; H507-L510 HydrophobicContact CB-CD1 4.37Å; H507-L510 HydrophobicContact CB-CG 4.21Å; H507-L510 VanDerWaalsContact O-CB 3.28Å; H507-L510 WeakPolarHBondContact O-CB 3.38Å; H507-L510 WeakPolarHBondContact O-CG 3.25Å; H507-L510 PolarHBondContact O-N 3.12Å; H507-L510 VanDerWaalsContact O-N 3.15Å
508	N	95.7	Very high	91.7	Very high	131 Å²	131	59.6 Å²	59.6	70%	0.701	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-60.5	-36.4	-177.8	58.4	-16.4	0	0	0	113	L510 W511	N508-L510 PolarHBondContact O-N 3.06Å; N508-W511 WeakPolarHBondContact O-CB 3.31Å; N508-W511 PolarHBondContact O-N 3.1Å; N508-W511 VanDerWaalsContact O-N 3.11Å
509	T	96.3	Very high	92.6	Very high	15 Å²	15	59 Å²	59	9%	0.092	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-63	-2.9	175.7	61.2	0	0	0	0	115.6	H392 Y393 H507 W511 T672	H392-T509 WeakPolarHBondContact CD2-CG2 3.43Å; H392-T509 WeakPolarHBondContact NE2-CG2 3.38Å; Y393-T509 WeakPolarHBondContact CB-OG1 3.39Å; Y393-T509 PolarHBondContact N-OG1 2.97Å; Y393-T509 VanDerWaalsContact N-OG1 3.16Å; H507-T509 VanDerWaalsContact C-N 3.29Å; H507-T509 VanDerWaalsContact CE1-CG2 3.46Å; H507-T509 WeakPolarHBondContact CE1-CG2 3.46Å; H507-T509 PolarHBondContact CE1-OG1 2.95Å; H507-T509 WeakPolarHBondContact ND1-CG2 3.45Å; H507-T509 PolarHBondContact ND1-N 2.95Å; H507-T509 PolarHBondContact ND1-OG1 2.94Å; H507-T509 PolarHBondContact O-N 3.49Å; T509-W511 VanDerWaalsContact C-N 3.3Å; T509-T672 HydrophobicContact CG2-CG2 4.22Å
510	L	95.8	Very high	93.4	Very high	8 Å²	8	51 Å²	51	4%	0.042	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-82.7	-11.9	174.2	-61.1	-175.9	0	0	0	112.7	Y393 L506 H507 N508 G512 M513 I514	Y393-L510 HydrophobicContact CD2-CD2 3.63Å; Y393-L510 HydrophobicContact CE2-CD2 4.22Å; Y393-L510 HydrophobicContact CG-CD2 3.8Å; L506-L510 HydrophobicContact CD1-CB 4.37Å; L506-L510 HydrophobicContact CD1-CD1 3.72Å; L506-L510 HydrophobicContact CG-CD1 4.45Å; H507-L510 HydrophobicContact CB-CD1 4.37Å; H507-L510 HydrophobicContact CB-CG 4.21Å; H507-L510 VanDerWaalsContact O-CB 3.28Å; H507-L510 WeakPolarHBondContact O-CB 3.38Å; H507-L510 WeakPolarHBondContact O-CG 3.25Å; H507-L510 PolarHBondContact O-N 3.12Å; H507-L510 VanDerWaalsContact O-N 3.15Å; N508-L510 PolarHBondContact O-N 3.06Å; L510-G512 PolarHBondContact O-N 2.8Å; L510-M513 PolarHBondContact O-N 2.56Å; L510-I514 HydrophobicContact CB-CB 4.24Å; L510-I514 HydrophobicContact CD2-CB 4.21Å; L510-I514 HydrophobicContact CD2-CD1 3.71Å; L510-I514 HydrophobicContact CD2-CG1 4.09Å; L510-I514 PolarHBondContact O-N 3.46Å
511	W	96.5	Very high	93.6	Very high	101 Å²	101	49.7 Å²	49.7	38%	0.383	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	127.8	177.2	-178.7	-96.2	0	0	0	111.3	N508 T509 M513 R628 M682 I709	N508-W511 WeakPolarHBondContact O-CB 3.31Å; N508-W511 PolarHBondContact O-N 3.1Å; N508-W511 VanDerWaalsContact O-N 3.11Å; T509-W511 VanDerWaalsContact C-N 3.3Å; W511-M513 PolarHBondContact O-N 3.13Å; W511-R628 VanDerWaalsContact CD1-NH1 3.34Å; W511-M682 HydrophobicContact CH2-CE 4.14Å; W511-M682 HydrophobicContact CZ2-CE 3.82Å; W511-M682 HydrophobicContact CZ2-SD 4.06Å; W511-I709 HydrophobicContact CD2-CG2 4.17Å; W511-I709 HydrophobicContact CE3-CD1 4.3Å; W511-I709 HydrophobicContact CE3-CG2 4.4Å; W511-I709 HydrophobicContact CH2-CD1 3.66Å; W511-I709 HydrophobicContact CH2-CG2 4.11Å; W511-I709 HydrophobicContact CZ2-CD1 4.43Å; W511-I709 HydrophobicContact CZ2-CG2 3.84Å; W511-I709 HydrophobicContact CZ3-CD1 3.58Å; W511-I709 HydrophobicContact CZ3-CG2 4.38Å
512	G	93.5	Very high	93.6	Very high	5 Å²	5	49.6 Å²	49.6	5%	0.052	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	-14.6	-177.3	0	0	0	0	0	116.5	L510 A532	L510-G512 PolarHBondContact O-N 2.8Å; G512-A532 WeakPolarHBondContact O-CB 3.49Å
513	M	95.6	Very high	93.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-46.3	-175.7	-55.4	-56.5	178.1	0	0	112.6	L510 W511 A532 A535 V626 R628	L510-M513 PolarHBondContact O-N 2.56Å; W511-M513 PolarHBondContact O-N 3.13Å; M513-A532 PolarHBondContact O-N 3.04Å; M513-A535 VanDerWaalsContact O-CB 3.29Å; M513-A535 WeakPolarHBondContact O-CB 3.1Å; M513-V626 HydrophobicContact CB-CG1 3.89Å; M513-V626 HydrophobicContact CG-CG1 4.26Å; M513-V626 HydrophobicContact SD-CB 4.29Å; M513-V626 HydrophobicContact SD-CG1 3.75Å; M513-R628 HydrophobicContact CE-CB 4.42Å; M513-R628 HydrophobicContact CE-CG 3.87Å; M513-R628 HydrophobicContact SD-CB 4.25Å; M513-R628 HydrophobicContact SD-CG 4.29Å
514	I	96.5	Very high	93.6	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-126.6	139.2	-177.1	-63.5	-169.2	0	0	0	109	Y393 L490 L510 K529 N530	Y393-I514 HydrophobicContact CD2-CD1 4.44Å; Y393-I514 HydrophobicContact CE1-CD1 4.26Å; Y393-I514 HydrophobicContact CE2-CD1 3.75Å; L490-I514 HydrophobicContact CD1-CD1 4.23Å; L490-I514 HydrophobicContact CD2-CD1 3.73Å; L490-I514 HydrophobicContact CD2-CG1 4.17Å; L510-I514 HydrophobicContact CB-CB 4.24Å; L510-I514 HydrophobicContact CD2-CB 4.21Å; L510-I514 HydrophobicContact CD2-CD1 3.71Å; L510-I514 HydrophobicContact CD2-CG1 4.09Å; L510-I514 PolarHBondContact O-N 3.46Å; I514-K529 HydrophobicContact CD1-CB 4.19Å; I514-K529 HydrophobicContact CD1-CD 3.68Å; I514-K529 HydrophobicContact CG2-CB 3.68Å; I514-K529 HydrophobicContact CG2-CD 4.28Å; I514-K529 HydrophobicContact CG2-CG 4.47Å; I514-N530 WeakPolarHBondContact CG2-O 3.34Å
515	C	96.9	Very high	93.7	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.034	27%	0.271	C	S	.	.			trans	-60.9	128.6	176.7	-179.7	0	0	0	0	111.4	A517 E518 N530 G711	C515-A517 PolarHBondContact O-N 3.12Å; C515-E518 HydrophobicContact CB-CB 3.88Å; C515-E518 WeakPolarHBondContact SG-CB 3.36Å; C515-E518 PolarHBondContact SG-N 3.01Å; C515-N530 PolarHBondContact N-O 2.81Å; C515-G711 VanDerWaalsContact CB-N 3.34Å; C515-G711 PolarHBondContact SG-N 3.1Å
516	P	95.3	Very high	93.6	Very high	58 Å²	58	44.3 Å²	44.3	38%	0.377	25%	0.249	S	C	.	.	S	Bend	trans	-70.3	-33.4	179.3	26	-34	0	0	0	113.3	L506 I709	L506-P516 HydrophobicContact CD1-CB 4.24Å; L506-P516 HydrophobicContact CD2-CB 3.92Å; P516-I709 VanDerWaalsContact CD-O 3.32Å; P516-I709 WeakPolarHBondContact CD-O 3.34Å
517	A	94.5	Very high	93.5	Very high	6 Å²	6	39 Å²	39	5%	0.05	22%	0.221	C	C	.	.	S	Bend	trans	-91.5	-27.6	-175.4	0	0	0	0	0	114.7	C515 T519 A714 N728 T729	C515-A517 PolarHBondContact O-N 3.12Å; A517-T519 PolarHBondContact O-N 3.32Å; A517-T519 VanDerWaalsContact O-N 3.09Å; A517-A714 HydrophobicContact CB-CB 4.33Å; A517-N728 HydrophobicContact CB-CB 3.98Å; A517-T729 VanDerWaalsContact O-CA 3.25Å; A517-T729 WeakPolarHBondContact O-CA 3.43Å; A517-T729 WeakPolarHBondContact O-CB 3.31Å; A517-T729 WeakPolarHBondContact O-CG2 3.48Å; A517-T729 PolarHBondContact O-OG1 3.26Å
518	E	95	Very high	93.4	Very high	2 Å²	2	38 Å²	38	1%	0.009	22%	0.218	C	C	.	.			trans	-87.8	80	-167.1	-166.4	-178.4	156.8	0	0	113	S485 C515 N530 V712 C713 K736	S485-E518 WeakPolarHBondContact CB-OE1 3.35Å; S485-E518 PolarHBondContact OG-OE1 3.35Å; C515-E518 HydrophobicContact CB-CB 3.88Å; C515-E518 WeakPolarHBondContact SG-CB 3.36Å; C515-E518 PolarHBondContact SG-N 3.01Å; E518-N530 HydrophobicContact CB-CB 4.29Å; E518-N530 HydrophobicContact CG-CB 4.02Å; E518-N530 WeakPolarHBondContact CG-ND2 3.41Å; E518-N530 PolarHBondContact O-ND2 2.9Å; E518-N530 PolarHBondContact OE1-ND2 2.88Å; E518-N530 PolarHBondContact OE1-OD1 3.43Å; E518-V712 PolarHBondContact OE2-N 3.33Å; E518-C713 HydrophobicContact CG-CB 4.29Å; E518-C713 PolarHBondContact OE2-N 3.18Å; E518-K736 VanDerWaalsContact OE1-CE 3.22Å; E518-K736 WeakPolarHBondContact OE1-CE 3.43Å; E518-K736 IonicContact OE1-NZ 3.98Å; E518-K736 PolarHBondContact OE1-NZ 2.86Å
519	T	94.7	Very high	93.4	Very high	24 Å²	24	32.6 Å²	32.6	15%	0.147	19%	0.188	C	C	.	.			trans	-128.4	147.9	171.5	174.6	0	0	0	0	110.3	A517 V525 G526 T729	A517-T519 PolarHBondContact O-N 3.32Å; A517-T519 VanDerWaalsContact O-N 3.09Å; T519-V525 HydrophobicContact CG2-CG2 4.24Å; T519-G526 PolarHBondContact OG1-N 2.98Å; T519-T729 HydrophobicContact CG2-CG2 3.7Å
520	P	91.4	Very high	93.4	Very high	40 Å²	40	32 Å²	32	26%	0.26	18%	0.184	S	C	.	.			trans	-65	149.8	170.7	28.7	-35.1	0	0	0	111.4	A524 V528	P520-A524 HydrophobicContact CG-CB 3.92Å; P520-V528 VanDerWaalsContact CD-O 3.26Å; P520-V528 WeakPolarHBondContact CD-O 3.35Å; P520-V528 HydrophobicContact CG-CB 3.85Å; P520-V528 HydrophobicContact CG-CG1 4.3Å
521	E	87.4	Confident	93.4	Very high	95 Å²	95	31.9 Å²	31.9	44%	0.444	18%	0.183	S	C	.	.	S	Bend	trans	-72.6	146.9	165.8	-63.7	170.4	-147.8	0	0	110.3	Y730	E521-Y730 VanDerWaalsContact CD-CD1 3.47Å; E521-Y730 HydrophobicContact CG-CD1 3.92Å; E521-Y730 HydrophobicContact CG-CE1 4.08Å; E521-Y730 WeakPolarHBondContact OE1-CD1 3.46Å
522	G	87.1	Confident	93.4	Very high	54 Å²	54	27 Å²	27	56%	0.557	17%	0.165	S	C	*	.	S	Bend	trans	99.6	-148.7	172.9	0	0	0	0	0	115.1	A524 V525	G522-A524 PolarHBondContact O-N 2.7Å; G522-A524 VanDerWaalsContact O-N 3.1Å; G522-V525 WeakPolarHBondContact O-CB 3.31Å; G522-V525 WeakPolarHBondContact O-CG1 3.44Å; G522-V525 PolarHBondContact O-N 3.07Å; G522-V525 VanDerWaalsContact O-N 3.12Å
523	Q	87.8	Confident	93.5	Very high	139 Å²	139	27 Å²	27	65%	0.65	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.8	-169.8	-67.4	-178.2	-14.5	0	0	114.7	R504	R504-Q523 PolarHBondContact NH1-O 2.88Å; R504-Q523 PolarHBondContact NH2-O 3.42Å
524	A	90.7	Very high	93.5	Very high	17 Å²	17	27.2 Å²	27.2	14%	0.14	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	7.3	-179.3	0	0	0	0	0	113.4	P520 G522 G526 L527 V528	P520-A524 HydrophobicContact CG-CB 3.92Å; G522-A524 PolarHBondContact O-N 2.7Å; G522-A524 VanDerWaalsContact O-N 3.1Å; A524-G526 PolarHBondContact O-N 3.34Å; A524-L527 PolarHBondContact O-N 3.14Å; A524-V528 HydrophobicContact CB-CG2 4.05Å; A524-V528 PolarHBondContact O-N 2.79Å
525	V	93.2	Very high	93.4	Very high	64 Å²	64	27.1 Å²	27.1	39%	0.388	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	128.4	179.1	67.5	0	0	0	0	110.8	R504 T519 G522 L527	R504-V525 WeakPolarHBondContact CG-O 3.09Å; R504-V525 PolarHBondContact NH1-O 2.83Å; T519-V525 HydrophobicContact CG2-CG2 4.24Å; G522-V525 WeakPolarHBondContact O-CB 3.31Å; G522-V525 WeakPolarHBondContact O-CG1 3.44Å; G522-V525 PolarHBondContact O-N 3.07Å; G522-V525 VanDerWaalsContact O-N 3.12Å; V525-L527 PolarHBondContact O-N 3.15Å
526	G	91.7	Very high	93.3	Very high	11 Å²	11	28 Å²	28	11%	0.113	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-11.6	-178.4	0	0	0	0	0	115.7	R504 T519 A524 K529	R504-G526 WeakPolarHBondContact O-CA 3.19Å; T519-G526 PolarHBondContact OG1-N 2.98Å; A524-G526 PolarHBondContact O-N 3.34Å; G526-K529 WeakPolarHBondContact O-CE 3.42Å
527	L	92.4	Very high	93.3	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-34.6	176.3	-61.8	-179.4	0	0	0	112	S492 I494 R496 R504 A524 V525	S492-L527 PolarHBondContact N-O 2.96Å; S492-L527 PolarHBondContact OG-O 2.88Å; I494-L527 HydrophobicContact CB-CD2 4.06Å; I494-L527 HydrophobicContact CD1-CD2 4.22Å; R496-L527 HydrophobicContact CG-CD1 4.39Å; R504-L527 HydrophobicContact CG-CD2 4.12Å; R504-L527 HydrophobicContact CG-CG 4.29Å; A524-L527 PolarHBondContact O-N 3.14Å; V525-L527 PolarHBondContact O-N 3.15Å
528	V	93.8	Very high	93.3	Very high	16 Å²	16	25 Å²	25	10%	0.097	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.2	173.9	175.7	0	0	0	0	107.7	R489 L490 P520 A524	R489-V528 VanDerWaalsContact CD-CG1 3.49Å; R489-V528 HydrophobicContact CG-CG1 3.63Å; L490-V528 WeakPolarHBondContact O-CA 3.46Å; P520-V528 VanDerWaalsContact CD-O 3.26Å; P520-V528 WeakPolarHBondContact CD-O 3.35Å; P520-V528 HydrophobicContact CG-CB 3.85Å; P520-V528 HydrophobicContact CG-CG1 4.3Å; A524-V528 HydrophobicContact CB-CG2 4.05Å; A524-V528 PolarHBondContact O-N 2.79Å
529	K	95	Very high	93.1	Very high	18 Å²	18	26.7 Å²	26.7	8%	0.078	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	164.9	-176.2	-41	175.1	-169.8	154.4	0	109.4	E203 L490 I514 G526	E203-K529 IonicContact OE1-NZ 3.85Å; E203-K529 IonicContact OE2-NZ 3.19Å; E203-K529 PolarHBondContact OE2-NZ 2.97Å; L490-K529 HydrophobicContact CD1-CB 3.7Å; L490-K529 HydrophobicContact CD1-CD 3.94Å; L490-K529 HydrophobicContact CD1-CG 3.98Å; L490-K529 HydrophobicContact CD2-CB 4.32Å; L490-K529 HydrophobicContact CG-CB 3.88Å; L490-K529 PolarHBondContact N-O 3.34Å; L490-K529 PolarHBondContact O-N 2.84Å; I514-K529 HydrophobicContact CD1-CB 4.19Å; I514-K529 HydrophobicContact CD1-CD 3.68Å; I514-K529 HydrophobicContact CG2-CB 3.68Å; I514-K529 HydrophobicContact CG2-CD 4.28Å; I514-K529 HydrophobicContact CG2-CG 4.47Å; G526-K529 WeakPolarHBondContact O-CE 3.42Å
530	N	96.5	Very high	92.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.3	177.4	-60.4	-85.9	0	0	0	108.9	S485 I514 C515 E518	S485-N530 PolarHBondContact O-OD1 3.04Å; I514-N530 WeakPolarHBondContact CG2-O 3.34Å; C515-N530 PolarHBondContact N-O 2.81Å; E518-N530 HydrophobicContact CB-CB 4.29Å; E518-N530 HydrophobicContact CG-CB 4.02Å; E518-N530 WeakPolarHBondContact CG-ND2 3.41Å; E518-N530 PolarHBondContact O-ND2 2.9Å; E518-N530 PolarHBondContact OE1-ND2 2.88Å; E518-N530 PolarHBondContact OE1-OD1 3.43Å
531	L	96.5	Very high	92.5	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.031	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-61.7	146	-179	-64.4	169.2	0	0	0	111.4	Q47 L398 R488 L490 A535 I537	Q47-L531 HydrophobicContact CG-CD1 4.22Å; L398-L531 HydrophobicContact CD1-CD2 4.27Å; R488-L531 HydrophobicContact CB-CB 4.4Å; R488-L531 PolarHBondContact O-N 3.36Å; R488-L531 VanDerWaalsContact O-N 3.1Å; L490-L531 HydrophobicContact CD2-CD2 3.8Å; L490-L531 HydrophobicContact CD2-CG 4.29Å; L531-A535 HydrophobicContact CB-CB 4.43Å; L531-I537 HydrophobicContact CD1-CD1 3.81Å; L531-I537 HydrophobicContact CD2-CD1 4.2Å
532	A	96.5	Very high	92.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.			trans	-68.4	162.4	169.5	0	0	0	0	0	111	R488 G512 M513 M534 A535 L710	R488-A532 PolarHBondContact NH2-O 3.37Å; G512-A532 WeakPolarHBondContact O-CB 3.49Å; M513-A532 PolarHBondContact O-N 3.04Å; A532-M534 PolarHBondContact O-N 3.28Å; A532-A535 HydrophobicContact CB-CB 4.22Å; A532-A535 WeakPolarHBondContact O-CB 3.38Å; A532-A535 PolarHBondContact O-N 2.84Å; A532-L710 CarbonylContact C-O 3.58Å; A532-L710 WeakPolarHBondContact CA-O 3.44Å
533	L	95	Very high	92.7	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-51.2	-169.4	-82.6	-177	0	0	0	113.7	F39 R488 M708 L710 V712 S715 A769 L773	F39-L533 HydrophobicContact CZ-CB 4.12Å; R488-L533 PolarHBondContact NH1-O 3.32Å; R488-L533 VanDerWaalsContact NH1-O 3.09Å; R488-L533 PolarHBondContact NH2-O 2.92Å; L533-M708 HydrophobicContact CB-SD 4.17Å; L533-M708 HydrophobicContact CD1-CE 4.17Å; L533-M708 HydrophobicContact CD1-SD 4.19Å; L533-M708 PolarHBondContact N-O 2.77Å; L533-L710 WeakPolarHBondContact CG-O 3.17Å; L533-L710 PolarHBondContact N-O 3.32Å; L533-V712 HydrophobicContact CD2-CG2 4.45Å; L533-S715 VanDerWaalsContact CD1-OG 3.27Å; L533-S715 WeakPolarHBondContact CD1-OG 3.41Å; L533-A769 HydrophobicContact CD1-CB 3.92Å; L533-L773 HydrophobicContact CD2-CD2 4.05Å
534	M	94.8	Very high	92.9	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.03	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	5.8	-179.6	-64.6	-170.9	85.7	0	0	114.4	I35 Y38 F39 A532 Y536 P629 W658 I704 M708	I35-M534 HydrophobicContact CG1-SD 4.31Å; Y38-M534 HydrophobicContact CD1-CE 3.83Å; Y38-M534 HydrophobicContact CD1-CG 4.35Å; Y38-M534 HydrophobicContact CD2-CE 3.99Å; Y38-M534 HydrophobicContact CE1-CB 4.38Å; Y38-M534 HydrophobicContact CE1-CE 4.28Å; Y38-M534 HydrophobicContact CE1-CG 4.23Å; Y38-M534 HydrophobicContact CE2-CE 4.41Å; Y38-M534 HydrophobicContact CG-CE 3.67Å; Y38-M534 PolarHBondContact OH-O 3.31Å; F39-M534 HydrophobicContact CZ-CG 4.21Å; A532-M534 PolarHBondContact O-N 3.28Å; M534-Y536 PolarHBondContact O-N 3.29Å; M534-P629 HydrophobicContact CB-CG 4.26Å; M534-P629 HydrophobicContact CE-CG 3.49Å; M534-P629 VanDerWaalsContact CE-CG 3.49Å; M534-P629 WeakPolarHBondContact O-CD 3.3Å; M534-P629 HydrophobicContact SD-CG 4.39Å; M534-W658 HydrophobicContact CE-CH2 4.41Å; M534-I704 HydrophobicContact CE-CD1 3.7Å; M534-I704 HydrophobicContact SD-CD1 4.11Å; M534-M708 HydrophobicContact CB-CB 4.45Å; M534-M708 HydrophobicContact CG-CB 3.97Å; M534-M708 HydrophobicContact CG-CG 3.86Å; M534-M708 HydrophobicContact CG-SD 3.68Å; M534-M708 HydrophobicContact SD-CB 4.01Å; M534-M708 HydrophobicContact SD-CG 3.56Å; M534-M708 VanDerWaalsContact SD-CG 3.56Å; M534-M708 HydrophobicContact SD-SD 3.91Å
535	A	95.4	Very high	92.9	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.017	14%	0.141	C	C	.	.			trans	-66.5	123.8	176.8	0	0	0	0	0	110.7	M513 L531 A532 V626	M513-A535 VanDerWaalsContact O-CB 3.29Å; M513-A535 WeakPolarHBondContact O-CB 3.1Å; L531-A535 HydrophobicContact CB-CB 4.43Å; A532-A535 HydrophobicContact CB-CB 4.22Å; A532-A535 WeakPolarHBondContact O-CB 3.38Å; A532-A535 PolarHBondContact O-N 2.84Å; A535-V626 HydrophobicContact CB-CG1 4.07Å
536	Y	94.3	Very high	92.8	Very high	23 Å²	23	20 Å²	20	9%	0.09	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	154.2	174.8	-179.1	-101.9	0	0	0	109.8	M534 E605 V626 C627 Y669	M534-Y536 PolarHBondContact O-N 3.29Å; Y536-E605 HydrophobicContact CE1-CG 4.07Å; Y536-E605 WeakPolarHBondContact CE1-OE1 3.44Å; Y536-E605 VanDerWaalsContact CZ-OE1 3.31Å; Y536-E605 PolarHBondContact OH-OE1 3.1Å; Y536-V626 WeakPolarHBondContact O-CA 3.48Å; Y536-C627 VanDerWaalsContact CD1-SG 3.55Å; Y536-C627 PolarHBondContact N-O 3.3Å; Y536-C627 PolarHBondContact O-N 2.84Å; Y536-Y669 HydrophobicContact CD1-CE1 4.48Å; Y536-Y669 HydrophobicContact CG-CE1 4.32Å
537	I	95.4	Very high	92.8	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.4	178.7	-55.7	177.6	0	0	0	108.4	Q47 L398 L400 L531 R625 V626	Q47-I537 HydrophobicContact CB-CB 4.17Å; Q47-I537 HydrophobicContact CB-CD1 4.14Å; Q47-I537 HydrophobicContact CB-CG1 4.25Å; Q47-I537 HydrophobicContact CG-CD1 4.12Å; L398-I537 HydrophobicContact CD1-CD1 3.6Å; L398-I537 HydrophobicContact CD1-CG1 4.35Å; L400-I537 HydrophobicContact CD1-CB 3.88Å; L400-I537 HydrophobicContact CD1-CD1 4.01Å; L400-I537 HydrophobicContact CD1-CG2 3.59Å; L400-I537 HydrophobicContact CD2-CD1 3.82Å; L400-I537 HydrophobicContact CG-CD1 4.31Å; L400-I537 HydrophobicContact CG-CG2 4.26Å; L531-I537 HydrophobicContact CD1-CD1 3.81Å; L531-I537 HydrophobicContact CD2-CD1 4.2Å; I537-R625 CarbonylContact C-O 3.6Å; I537-R625 VanDerWaalsContact CA-O 3.26Å; I537-R625 WeakPolarHBondContact CA-O 3.47Å; I537-V626 HydrophobicContact CG1-CG2 4.27Å
538	S	94.1	Very high	92.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	16%	0.162	C	C	.	.			trans	-60.7	136.3	178.7	65.8	0	0	0	0	111.7	E605 D622 G624 R625	S538-E605 WeakPolarHBondContact CA-OE2 3.46Å; S538-E605 WeakPolarHBondContact CB-OE2 3.43Å; S538-D622 PolarHBondContact OG-O 3.46Å; S538-G624 PolarHBondContact O-N 2.93Å; S538-G624 PolarHBondContact OG-N 3.46Å; S538-G624 VanDerWaalsContact OG-N 3.15Å; S538-R625 PolarHBondContact N-O 3.35Å; S538-R625 WeakPolarHBondContact OG-CB 3.44Å; S538-R625 PolarHBondContact OG-N 2.78Å
539	V	90.5	Very high	92.7	Very high	36 Å²	36	28.6 Å²	28.6	22%	0.218	16%	0.162	C	C	.	.			trans	-84.6	-21.8	169.2	-70.1	0	0	0	0	112.2	D50 E54 E605 A623	D50-V539 HydrophobicContact CB-CG1 3.61Å; E54-V539 HydrophobicContact CB-CB 4.47Å; V539-E605 PolarHBondContact N-OE2 3.5Å; V539-A623 WeakPolarHBondContact O-CB 3.36Å
540	G	88	Confident	92.5	Very high	23 Å²	23	27.8 Å²	27.8	24%	0.237	16%	0.158	C	C	.	.			trans	89.9	147.9	-179.8	0	0	0	0	0	112.5	E605 T621	G540-E605 PolarHBondContact N-OE2 3.49Å; G540-T621 WeakPolarHBondContact CA-O 3.1Å
541	S	87.1	Confident	92.2	Very high	31 Å²	31	32.8 Å²	32.8	22%	0.217	18%	0.182	C	C	.	.			trans	-131.2	166.8	-179.5	64	0	0	0	0	110.5	T621	S541-T621 PolarHBondContact N-O 3.35Å
542	Q	87.2	Confident	91.9	Very high	104 Å²	104	40.4 Å²	40.4	49%	0.486	22%	0.217	S	C	.	.			trans	-72.5	135.3	174	-71.1	-179.1	-41.2	0	0	110.1	A544 P545	Q542-A544 VanDerWaalsContact C-N 3.31Å; Q542-A544 PolarHBondContact O-N 2.64Å; Q542-P545 WeakPolarHBondContact O-CD 3.42Å
543	P	90.7	Very high	91.5	Very high	27 Å²	27	44.3 Å²	44.3	18%	0.175	23%	0.232	C	C	.	.	S	Bend	trans	-77.8	-12.5	177.4	29.5	-34.9	0	0	0	113.9	I546 L547 V574	P543-I546 WeakPolarHBondContact O-CB 3.48Å; P543-I546 PolarHBondContact O-N 3.29Å; P543-L547 WeakPolarHBondContact O-CG 3.29Å; P543-L547 PolarHBondContact O-N 2.84Å; P543-V574 HydrophobicContact CB-CG1 3.88Å
544	A	90.9	Very high	91.1	Very high	46 Å²	46	48.1 Å²	48.1	38%	0.38	26%	0.258	S	S	.	.	H	α-helix	trans	-54.2	-46.3	-172.9	0	0	0	0	0	114.6	Q542 I546 L547 E548	Q542-A544 VanDerWaalsContact C-N 3.31Å; Q542-A544 PolarHBondContact O-N 2.64Å; A544-I546 PolarHBondContact O-N 3.27Å; A544-L547 PolarHBondContact O-N 3.14Å; A544-L547 VanDerWaalsContact O-N 3.12Å; A544-E548 PolarHBondContact O-N 2.74Å
545	P	91.5	Very high	90.8	Very high	56 Å²	56	48.5 Å²	48.5	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-62.6	-31.2	178.4	-22.4	34.7	0	0	0	113.4	Q542 F549 I601	Q542-P545 WeakPolarHBondContact O-CD 3.42Å; P545-F549 WeakPolarHBondContact O-CB 3.26Å; P545-F549 PolarHBondContact O-N 3.08Å; P545-F549 VanDerWaalsContact O-N 3.13Å; P545-I601 HydrophobicContact CB-CG2 3.7Å
546	I	91.2	Very high	90.5	Very high	5 Å²	5	51 Å²	51	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-73.9	-38.6	177.5	-60.7	172.1	0	0	0	110.2	P543 A544 F549 L550 V606 I619 T621	P543-I546 WeakPolarHBondContact O-CB 3.48Å; P543-I546 PolarHBondContact O-N 3.29Å; A544-I546 PolarHBondContact O-N 3.27Å; I546-F549 PolarHBondContact O-N 2.81Å; I546-L550 HydrophobicContact CG2-CD1 4Å; I546-L550 HydrophobicContact CG2-CG 4.32Å; I546-L550 WeakPolarHBondContact O-CB 3.46Å; I546-L550 VanDerWaalsContact O-CG 3.22Å; I546-L550 WeakPolarHBondContact O-CG 3.1Å; I546-L550 PolarHBondContact O-N 2.67Å; I546-V606 HydrophobicContact CD1-CG1 3.89Å; I546-V606 HydrophobicContact CD1-CG2 4Å; I546-I619 HydrophobicContact CD1-CG2 4.41Å; I546-I619 HydrophobicContact CG2-CD1 4.35Å; I546-I619 HydrophobicContact CG2-CG2 4.42Å; I546-T621 HydrophobicContact CD1-CG2 3.33Å
547	L	92.1	Very high	90.3	Very high	53 Å²	53	51.9 Å²	51.9	28%	0.277	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-46	176.6	-65.9	172.6	0	0	0	111	P543 A544 F549 L550 E551 V574 V579	P543-L547 WeakPolarHBondContact O-CG 3.29Å; P543-L547 PolarHBondContact O-N 2.84Å; A544-L547 PolarHBondContact O-N 3.14Å; A544-L547 VanDerWaalsContact O-N 3.12Å; L547-F549 VanDerWaalsContact C-N 3.33Å; L547-F549 PolarHBondContact O-N 3.02Å; L547-L550 PolarHBondContact O-N 2.94Å; L547-E551 WeakPolarHBondContact O-CG 3.48Å; L547-E551 PolarHBondContact O-N 3.48Å; L547-V574 HydrophobicContact CD2-CB 4.08Å; L547-V574 HydrophobicContact CD2-CG1 4.23Å; L547-V574 HydrophobicContact CD2-CG2 3.92Å; L547-V579 HydrophobicContact CD2-CB 4.4Å; L547-V579 HydrophobicContact CD2-CG1 3.87Å; L547-V579 HydrophobicContact CD2-CG2 3.65Å
548	E	92.1	Very high	89.8	Confident	137 Å²	137	52 Å²	52	64%	0.64	28%	0.279	S	S	*	.	H	α-helix	trans	-57.5	-46.3	175.4	-71	176.1	-176.6	0	0	111.4	A544 L550 E551 E552	A544-E548 PolarHBondContact O-N 2.74Å; E548-L550 PolarHBondContact O-N 3.38Å; E548-E551 PolarHBondContact O-N 3.37Å; E548-E552 PolarHBondContact O-N 3.42Å; E548-E552 VanDerWaalsContact O-N 3.12Å
549	F	91.4	Very high	89.4	Confident	21 Å²	21	57 Å²	57	9%	0.092	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-43.1	176.6	177.3	-96.6	0	0	0	112.8	P545 I546 L547 E552 W553 T591 L592 L595 I601	P545-F549 WeakPolarHBondContact O-CB 3.26Å; P545-F549 PolarHBondContact O-N 3.08Å; P545-F549 VanDerWaalsContact O-N 3.13Å; I546-F549 PolarHBondContact O-N 2.81Å; L547-F549 VanDerWaalsContact C-N 3.33Å; L547-F549 PolarHBondContact O-N 3.02Å; F549-E552 PolarHBondContact O-N 3.34Å; F549-W553 HydrophobicContact CE1-CG 4.41Å; F549-W553 AromaticContact CE2-CD1 3.74Å; F549-W553 AromaticContact CZ-CD1 3.42Å; F549-W553 VanDerWaalsContact CZ-CD1 3.42Å; F549-W553 HydrophobicContact CZ-CG 4.1Å; F549-W553 AromaticContact CZ-NE1 3.86Å; F549-W553 PolarHBondContact O-N 2.8Å; F549-W553 VanDerWaalsContact O-N 3.13Å; F549-T591 HydrophobicContact CZ-CG2 4.02Å; F549-L592 HydrophobicContact CD1-CD2 3.79Å; F549-L592 HydrophobicContact CE1-CD2 3.52Å; F549-L592 HydrophobicContact CE1-CG 4.33Å; F549-L595 HydrophobicContact CD1-CD1 4.36Å; F549-L595 HydrophobicContact CD2-CD1 4.06Å; F549-L595 HydrophobicContact CE1-CD1 3.77Å; F549-L595 HydrophobicContact CE2-CD1 3.41Å; F549-L595 VanDerWaalsContact CE2-CD1 3.41Å; F549-L595 HydrophobicContact CG-CD1 4.5Å; F549-L595 HydrophobicContact CZ-CD1 3.25Å; F549-I601 HydrophobicContact CB-CD1 4.46Å; F549-I601 HydrophobicContact CD2-CD1 3.99Å
550	L	92	Very high	89.1	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-39.8	179.7	-71.2	170.5	0	0	0	111.9	I546 L547 E548 E552 W553 M555 I572 V574 L588 L592 I619	I546-L550 HydrophobicContact CG2-CD1 4Å; I546-L550 HydrophobicContact CG2-CG 4.32Å; I546-L550 WeakPolarHBondContact O-CB 3.46Å; I546-L550 VanDerWaalsContact O-CG 3.22Å; I546-L550 WeakPolarHBondContact O-CG 3.1Å; I546-L550 PolarHBondContact O-N 2.67Å; L547-L550 PolarHBondContact O-N 2.94Å; E548-L550 PolarHBondContact O-N 3.38Å; L550-E552 VanDerWaalsContact C-N 3.31Å; L550-E552 PolarHBondContact O-N 3.15Å; L550-W553 PolarHBondContact O-N 2.87Å; L550-M555 HydrophobicContact CB-CE 3.59Å; L550-M555 WeakPolarHBondContact O-CB 3.36Å; L550-I572 HydrophobicContact CD1-CG2 4.14Å; L550-V574 HydrophobicContact CD1-CG2 3.81Å; L550-L588 HydrophobicContact CD2-CD1 4.12Å; L550-L588 HydrophobicContact CD2-CD2 4.34Å; L550-L592 HydrophobicContact CD2-CD1 4.49Å; L550-I619 HydrophobicContact CD1-CD1 4.1Å
551	E	90.5	Very high	88.9	Confident	107 Å²	107	62 Å²	62	50%	0.5	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-37.8	176.6	-73.8	179.4	-175.7	0	0	111.7	L547 E548 W553 M555	L547-E551 WeakPolarHBondContact O-CG 3.48Å; L547-E551 PolarHBondContact O-N 3.48Å; E548-E551 PolarHBondContact O-N 3.37Å; E551-W553 VanDerWaalsContact C-N 3.32Å; E551-W553 PolarHBondContact O-N 2.99Å; E551-M555 HydrophobicContact CG-CE 3.76Å
552	E	90.2	Very high	88.6	Confident	165 Å²	165	63.2 Å²	63.2	77%	0.771	33%	0.33	S	S	*	.	H	α-helix	trans	-65.6	-35.1	173.8	-169.7	175.6	-172.6	0	0	112.2	E548 F549 L550 S554	E548-E552 PolarHBondContact O-N 3.42Å; E548-E552 VanDerWaalsContact O-N 3.12Å; F549-E552 PolarHBondContact O-N 3.34Å; L550-E552 VanDerWaalsContact C-N 3.31Å; L550-E552 PolarHBondContact O-N 3.15Å; E552-S554 VanDerWaalsContact C-N 3.31Å; E552-S554 PolarHBondContact O-N 3.42Å; E552-S554 VanDerWaalsContact O-N 3.1Å
553	W	86.8	Confident	88.3	Confident	82 Å²	82	59.9 Å²	59.9	31%	0.311	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	47.1	-174.5	-118.7	90.4	0	0	0	114.9	F549 L550 E551 M555 H582 Q587 L588 T591	F549-W553 HydrophobicContact CE1-CG 4.41Å; F549-W553 AromaticContact CE2-CD1 3.74Å; F549-W553 AromaticContact CZ-CD1 3.42Å; F549-W553 VanDerWaalsContact CZ-CD1 3.42Å; F549-W553 HydrophobicContact CZ-CG 4.1Å; F549-W553 AromaticContact CZ-NE1 3.86Å; F549-W553 PolarHBondContact O-N 2.8Å; F549-W553 VanDerWaalsContact O-N 3.13Å; L550-W553 PolarHBondContact O-N 2.87Å; E551-W553 VanDerWaalsContact C-N 3.32Å; E551-W553 PolarHBondContact O-N 2.99Å; W553-M555 PolarHBondContact O-N 2.92Å; W553-H582 PolarHBondContact O-CD2 3.38Å; W553-H582 PolarHBondContact O-NE2 2.89Å; W553-Q587 HydrophobicContact CH2-CB 4.4Å; W553-Q587 HydrophobicContact CZ3-CB 4.41Å; W553-L588 HydrophobicContact CB-CD1 4.41Å; W553-L588 HydrophobicContact CE3-CD1 4.33Å; W553-T591 HydrophobicContact CZ2-CG2 4.11Å
554	S	86	Confident	87.7	Confident	83 Å²	83	63 Å²	63	58%	0.58	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	26.1	174.8	68.8	0	0	0	0	115.7	E552 H582	E552-S554 VanDerWaalsContact C-N 3.31Å; E552-S554 PolarHBondContact O-N 3.42Å; E552-S554 VanDerWaalsContact O-N 3.1Å; S554-H582 PolarHBondContact OG-NE2 2.94Å
555	M	89	Confident	87.4	Confident	14 Å²	14	62.3 Å²	62.3	7%	0.069	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-72	127.2	169	-175.7	-109.8	-64	0	0	109.3	L550 E551 W553 I572 V579	L550-M555 HydrophobicContact CB-CE 3.59Å; L550-M555 WeakPolarHBondContact O-CB 3.36Å; E551-M555 HydrophobicContact CG-CE 3.76Å; W553-M555 PolarHBondContact O-N 2.92Å; M555-I572 HydrophobicContact CG-CD1 4.17Å; M555-V579 HydrophobicContact CE-CB 4.46Å; M555-V579 HydrophobicContact CE-CG1 3.5Å; M555-V579 HydrophobicContact SD-CG1 3.96Å
556	E	90.3	Very high	87.1	Confident	54 Å²	54	59.7 Å²	59.7	25%	0.252	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.3	175.5	-60.6	175.3	-165.9	0	0	108.8	V561 G580 I581 R583	E556-V561 HydrophobicContact CB-CG2 3.53Å; E556-G580 WeakPolarHBondContact O-CA 3.2Å; E556-I581 HydrophobicContact CB-CG1 3.94Å; E556-I581 PolarHBondContact N-O 2.82Å; E556-I581 PolarHBondContact O-N 3.1Å; E556-R583 IonicContact OE1-CZ 3.46Å; E556-R583 IonicContact OE1-NE 3.29Å; E556-R583 PolarHBondContact OE1-NE 2.86Å; E556-R583 IonicContact OE1-NH2 3.85Å; E556-R583 PolarHBondContact OE1-NH2 3.46Å; E556-R583 IonicContact OE2-NH2 2.94Å
557	N	90.1	Very high	86.8	Confident	43 Å²	43	61.1 Å²	61.1	23%	0.23	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	142.2	178.6	-86.4	-36	0	0	0	111.3	E559 E560 V561	N557-E559 PolarHBondContact O-N 2.86Å; N557-E560 HydrophobicContact CB-CG 4.28Å; N557-E560 PolarHBondContact O-N 2.83Å; N557-V561 VanDerWaalsContact O-CG2 3.3Å; N557-V561 WeakPolarHBondContact O-CG2 3.4Å; N557-V561 PolarHBondContact O-N 2.82Å
558	L	85.2	Confident	86.5	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.3	-175.6	-169.9	61.8	0	0	0	114.4	F368 W578 V579	F368-L558 HydrophobicContact CB-CD1 4.3Å; F368-L558 HydrophobicContact CB-CD2 3.61Å; F368-L558 HydrophobicContact CB-CG 4.18Å; F368-L558 HydrophobicContact CD1-CD1 3.99Å; F368-L558 HydrophobicContact CD1-CG 4.46Å; F368-L558 HydrophobicContact CD2-CD1 4.07Å; F368-L558 HydrophobicContact CD2-CD2 3.89Å; F368-L558 HydrophobicContact CD2-CG 3.65Å; F368-L558 HydrophobicContact CE1-CD1 4.3Å; F368-L558 HydrophobicContact CE2-CD1 4.37Å; F368-L558 HydrophobicContact CE2-CG 4.09Å; F368-L558 HydrophobicContact CG-CD1 3.87Å; F368-L558 HydrophobicContact CG-CD2 3.86Å; F368-L558 HydrophobicContact CG-CG 3.86Å; F368-L558 HydrophobicContact CZ-CD1 4.47Å; L558-W578 HydrophobicContact CD1-CD2 4.08Å; L558-W578 HydrophobicContact CD1-CE3 4.41Å; L558-W578 HydrophobicContact CD1-CH2 4.04Å; L558-W578 HydrophobicContact CD1-CZ2 3.67Å; L558-W578 HydrophobicContact CD1-CZ3 4.39Å; L558-W578 HydrophobicContact CD2-CD2 4.15Å; L558-W578 HydrophobicContact CD2-CE3 4.33Å; L558-W578 HydrophobicContact CD2-CG 4.3Å; L558-V579 PolarHBondContact N-O 3.25Å
559	E	84.8	Confident	86.5	Confident	106 Å²	106	56.8 Å²	56.8	50%	0.495	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.7	178.7	-66.2	178.7	179.6	0	0	113.4	K365 N557	K365-E559 WeakPolarHBondContact CE-OE1 3.43Å; K365-E559 HydrophobicContact CG-CG 4.27Å; K365-E559 IonicContact NZ-OE1 3.65Å; N557-E559 PolarHBondContact O-N 2.86Å
560	E	84.5	Confident	86.6	Confident	152 Å²	152	56.3 Å²	56.3	71%	0.71	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-15.2	-175.4	-62.9	176.6	-176.7	0	0	112.6	N557	N557-E560 HydrophobicContact CB-CG 4.28Å; N557-E560 PolarHBondContact O-N 2.83Å
561	V	82.5	Confident	86.7	Confident	12 Å²	12	57.1 Å²	57.1	7%	0.073	32%	0.321	C	S	.	.	S	Bend	trans	-89.7	131.9	-169.5	173.7	0	0	0	0	111.4	E556 N557 A565 I566 I581	E556-V561 HydrophobicContact CB-CG2 3.53Å; N557-V561 VanDerWaalsContact O-CG2 3.3Å; N557-V561 WeakPolarHBondContact O-CG2 3.4Å; N557-V561 PolarHBondContact O-N 2.82Å; V561-A565 HydrophobicContact CG1-CB 4.43Å; V561-I566 HydrophobicContact CG1-CD1 4.3Å; V561-I566 HydrophobicContact CG1-CG1 3.73Å; V561-I581 HydrophobicContact CB-CD1 4.28Å; V561-I581 HydrophobicContact CG1-CD1 3.47Å; V561-I581 VanDerWaalsContact CG1-CD1 3.47Å; V561-I581 HydrophobicContact CG1-CG1 4.29Å; V561-I581 HydrophobicContact CG2-CD1 3.78Å; V561-I581 HydrophobicContact CG2-CG1 3.81Å
562	A	82.1	Confident	86.9	Confident	56 Å²	56	52 Å²	52	46%	0.463	30%	0.297	S	S	.	.			trans	-69.4	128.7	167	0	0	0	0	0	110.2	S564 A565	A562-S564 PolarHBondContact O-N 3.32Å; A562-A565 WeakPolarHBondContact O-CB 3.42Å; A562-A565 PolarHBondContact O-N 2.81Å
563	P	79.9	Confident	87.2	Confident	33 Å²	33	44.6 Å²	44.6	21%	0.214	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-53.3	-32.1	-176.4	-29.5	35.2	0	0	0	115	D291 F368 A565 I566	D291-P563 HydrophobicContact CB-CB 3.81Å; D291-P563 HydrophobicContact CB-CG 4.01Å; F368-P563 HydrophobicContact CE1-CG 4.38Å; F368-P563 HydrophobicContact CZ-CG 4.32Å; P563-A565 PolarHBondContact O-N 3.1Å; P563-I566 VanDerWaalsContact O-CB 3.31Å; P563-I566 WeakPolarHBondContact O-CB 3.46Å; P563-I566 PolarHBondContact O-N 3.19Å; P563-I566 VanDerWaalsContact O-N 3.12Å
564	S	79.1	Confident	87.5	Confident	92 Å²	92	41 Å²	41	64%	0.643	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-63.3	-24	177	56.9	0	0	0	0	114.2	A562 I566	A562-S564 PolarHBondContact O-N 3.32Å; S564-I566 VanDerWaalsContact C-N 3.35Å
565	A	83.3	Confident	87.8	Confident	33 Å²	33	37.5 Å²	37.5	27%	0.273	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-81.1	-16	177.3	0	0	0	0	0	112.8	V561 A562 P563 A567 S568 A569	V561-A565 HydrophobicContact CG1-CB 4.43Å; A562-A565 WeakPolarHBondContact O-CB 3.42Å; A562-A565 PolarHBondContact O-N 2.81Å; P563-A565 PolarHBondContact O-N 3.1Å; A565-A567 VanDerWaalsContact C-N 3.27Å; A565-A567 PolarHBondContact O-N 2.59Å; A565-S568 PolarHBondContact O-OG 3.48Å; A565-A569 PolarHBondContact O-N 3.06Å
566	I	86.3	Confident	88	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.7	-175.2	-61.2	177	0	0	0	112.1	Y295 F368 V561 P563 S564 K571 W578	Y295-I566 HydrophobicContact CD1-CB 4.07Å; Y295-I566 HydrophobicContact CD1-CD1 4.38Å; Y295-I566 HydrophobicContact CD1-CG2 3.75Å; Y295-I566 HydrophobicContact CD2-CG2 4.29Å; Y295-I566 HydrophobicContact CE1-CD1 4.43Å; Y295-I566 HydrophobicContact CE1-CG2 4.01Å; Y295-I566 HydrophobicContact CG-CB 4.32Å; Y295-I566 HydrophobicContact CG-CG2 3.9Å; F368-I566 HydrophobicContact CD1-CD1 4.37Å; F368-I566 HydrophobicContact CE1-CD1 3.8Å; V561-I566 HydrophobicContact CG1-CD1 4.3Å; V561-I566 HydrophobicContact CG1-CG1 3.73Å; P563-I566 VanDerWaalsContact O-CB 3.31Å; P563-I566 WeakPolarHBondContact O-CB 3.46Å; P563-I566 PolarHBondContact O-N 3.19Å; P563-I566 VanDerWaalsContact O-N 3.12Å; S564-I566 VanDerWaalsContact C-N 3.35Å; I566-K571 HydrophobicContact CG2-CG 4.48Å; I566-W578 HydrophobicContact CD1-CH2 4.18Å; I566-W578 HydrophobicContact CD1-CZ2 4.3Å; I566-W578 HydrophobicContact CG2-CH2 4.11Å; I566-W578 HydrophobicContact CG2-CZ2 4Å
567	A	85.2	Confident	88.1	Confident	35 Å²	35	35.9 Å²	35.9	29%	0.289	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-38.3	-178.6	0	0	0	0	0	113	A565 R615	A565-A567 VanDerWaalsContact C-N 3.27Å; A565-A567 PolarHBondContact O-N 2.59Å; A567-R615 PolarHBondContact O-NH1 2.84Å
568	S	86.3	Confident	88.3	Confident	96 Å²	96	34 Å²	34	67%	0.671	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-26.7	179.2	58.9	0	0	0	0	113	A565	A565-S568 PolarHBondContact O-OG 3.48Å
569	A	90.8	Very high	88.7	Confident	3 Å²	3	34.8 Å²	34.8	3%	0.025	22%	0.215	C	C	.	.	S	Bend	trans	-82.8	157.2	-178.8	0	0	0	0	0	113.7	A565 I581	A565-A569 PolarHBondContact O-N 3.06Å; A569-I581 HydrophobicContact CB-CB 3.92Å; A569-I581 HydrophobicContact CB-CD1 3.59Å; A569-I581 HydrophobicContact CB-CG1 4.21Å
570	T	93.7	Very high	89.1	Confident	12 Å²	12	29.8 Å²	29.8	7%	0.074	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.8	175.5	-58.5	0	0	0	0	109.8	I581 H582 P585 R615 I617	T570-I581 CarbonylContact O-C 3.55Å; T570-I581 VanDerWaalsContact O-CA 3.26Å; T570-I581 WeakPolarHBondContact O-CA 3.37Å; T570-H582 PolarHBondContact N-O 2.81Å; T570-H582 PolarHBondContact O-N 2.96Å; T570-P585 HydrophobicContact CG2-CB 4Å; T570-P585 WeakPolarHBondContact OG1-CG 3.45Å; T570-R615 WeakPolarHBondContact CA-O 3.43Å; T570-R615 WeakPolarHBondContact CG2-O 3.34Å; T570-I617 HydrophobicContact CG2-CD1 4.07Å; T570-I617 HydrophobicContact CG2-CG1 3.88Å
571	K	94.4	Very high	89.5	Confident	17 Å²	17	22.6 Å²	22.6	7%	0.074	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.4	179.7	-64.3	170.3	-114.3	-66.1	0	110.2	I566 F573 W578 I581 R615 E616 I617	I566-K571 HydrophobicContact CG2-CG 4.48Å; K571-F573 HydrophobicContact CB-CD2 4.48Å; K571-F573 HydrophobicContact CB-CE2 3.75Å; K571-F573 HydrophobicContact CB-CZ 4.37Å; K571-W578 HydrophobicContact CD-CH2 4.25Å; K571-W578 HydrophobicContact CD-CZ2 3.91Å; K571-W578 HydrophobicContact CG-CZ2 3.8Å; K571-I581 HydrophobicContact CG-CG2 4.49Å; K571-R615 PolarHBondContact N-O 3.11Å; K571-E616 CarbonylContact O-C 3.41Å; K571-E616 WeakPolarHBondContact O-CA 3.35Å; K571-I617 PolarHBondContact O-N 3.36Å
572	I	95.1	Very high	90	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.4	178.3	-60.1	174.9	0	0	0	110.2	L550 M555 V579 G580 H582 L588 I617	L550-I572 HydrophobicContact CD1-CG2 4.14Å; M555-I572 HydrophobicContact CG-CD1 4.17Å; I572-V579 PolarHBondContact O-N 3.47Å; I572-G580 PolarHBondContact N-O 3.47Å; I572-H582 HydrophobicContact CD1-CB 3.55Å; I572-H582 HydrophobicContact CG1-CB 4.34Å; I572-L588 HydrophobicContact CD1-CD2 3.59Å; I572-I617 CarbonylContact C-O 3.11Å; I572-I617 WeakPolarHBondContact CA-O 3.48Å; I572-I617 HydrophobicContact CG1-CB 4.31Å
573	F	95.6	Very high	90.4	Very high	10 Å²	10	28.3 Å²	28.3	4%	0.044	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.7	175.8	-62.7	-94.9	0	0	0	110.9	Y372 K571 C577 W578 E616 I617 R618 I619	Y372-F573 HydrophobicContact CD1-CE1 4.23Å; Y372-F573 HydrophobicContact CD1-CZ 4.23Å; Y372-F573 HydrophobicContact CD2-CZ 4.27Å; Y372-F573 AromaticContact CE1-CE1 3.93Å; Y372-F573 HydrophobicContact CE1-CE1 3.93Å; Y372-F573 AromaticContact CE1-CZ 3.79Å; Y372-F573 HydrophobicContact CE1-CZ 3.79Å; Y372-F573 AromaticContact CE2-CZ 3.84Å; Y372-F573 HydrophobicContact CE2-CZ 3.84Å; Y372-F573 HydrophobicContact CG-CZ 4.44Å; Y372-F573 AromaticContact CZ-CZ 3.55Å; K571-F573 HydrophobicContact CB-CD2 4.48Å; K571-F573 HydrophobicContact CB-CE2 3.75Å; K571-F573 HydrophobicContact CB-CZ 4.37Å; F573-C577 CarbonylContact C-O 3.49Å; F573-C577 WeakPolarHBondContact CA-O 3.49Å; F573-W578 HydrophobicContact CD1-CB 3.9Å; F573-W578 HydrophobicContact CD1-CG 4.49Å; F573-W578 HydrophobicContact CE1-CB 3.63Å; F573-W578 HydrophobicContact CE1-CG 4.01Å; F573-W578 HydrophobicContact CZ-CB 4.36Å; F573-W578 HydrophobicContact CZ-CG 4.26Å; F573-E616 HydrophobicContact CE2-CB 4.39Å; F573-E616 HydrophobicContact CE2-CG 4.13Å; F573-I617 PolarHBondContact N-O 3.48Å; F573-R618 HydrophobicContact CB-CG 4.25Å; F573-R618 HydrophobicContact CD2-CG 4.22Å; F573-I619 PolarHBondContact O-N 3.02Å
574	V	94	Very high	91.1	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.9	172.1	-178	0	0	0	0	108.5	P543 L547 L550 G576 C577 V579 I619	P543-V574 HydrophobicContact CB-CG1 3.88Å; L547-V574 HydrophobicContact CD2-CB 4.08Å; L547-V574 HydrophobicContact CD2-CG1 4.23Å; L547-V574 HydrophobicContact CD2-CG2 3.92Å; L550-V574 HydrophobicContact CD1-CG2 3.81Å; V574-G576 PolarHBondContact O-N 2.97Å; V574-C577 PolarHBondContact N-O 2.95Å; V574-C577 WeakPolarHBondContact O-CB 3.46Å; V574-C577 PolarHBondContact O-N 2.96Å; V574-V579 HydrophobicContact CB-CG2 3.9Å; V574-V579 HydrophobicContact CG2-CG2 3.81Å; V574-I619 CarbonylContact C-O 3.6Å; V574-I619 WeakPolarHBondContact CA-O 3.43Å; V574-I619 HydrophobicContact CG2-CB 4.33Å; V574-I619 HydrophobicContact CG2-CD1 4.45Å
575	N	92.9	Very high	91.7	Very high	11 Å²	11	26.1 Å²	26.1	6%	0.059	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	33.4	-172.8	-63.9	-13.7	0	0	0	113.4	N208 E231 C577 I619 T621	N208-N575 WeakPolarHBondContact CB-O 3.49Å; N208-N575 PolarHBondContact ND2-O 3.27Å; E231-N575 VanDerWaalsContact OE1-CB 3.25Å; E231-N575 WeakPolarHBondContact OE1-CB 3.34Å; E231-N575 PolarHBondContact OE1-ND2 2.92Å; E231-N575 PolarHBondContact OE2-ND2 3.44Å; N575-C577 VanDerWaalsContact C-N 3.28Å; N575-C577 PolarHBondContact O-N 3.34Å; N575-I619 PolarHBondContact N-O 3.46Å; N575-T621 VanDerWaalsContact CG-OG1 3.23Å; N575-T621 PolarHBondContact ND2-OG1 3Å; N575-T621 PolarHBondContact OD1-N 3.12Å; N575-T621 PolarHBondContact OD1-OG1 3.16Å
576	G	91.8	Very high	92.2	Very high	5 Å²	5	30.3 Å²	30.3	5%	0.052	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-5.4	-177.9	0	0	0	0	0	115.6	N208 Y369 V574	N208-G576 VanDerWaalsContact O-CA 3.24Å; N208-G576 WeakPolarHBondContact O-CA 3.48Å; Y369-G576 WeakPolarHBondContact CE2-O 3.11Å; V574-G576 PolarHBondContact O-N 2.97Å
577	C	93.5	Very high	92.5	Very high	28 Å²	28	35.7 Å²	35.7	19%	0.189	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131	170	-172.2	0	0	0	0	110	F573 V574 N575 V579	F573-C577 CarbonylContact C-O 3.49Å; F573-C577 WeakPolarHBondContact CA-O 3.49Å; V574-C577 PolarHBondContact N-O 2.95Å; V574-C577 WeakPolarHBondContact O-CB 3.46Å; V574-C577 PolarHBondContact O-N 2.96Å; N575-C577 VanDerWaalsContact C-N 3.28Å; N575-C577 PolarHBondContact O-N 3.34Å; C577-V579 PolarHBondContact O-N 3.32Å
578	W	94.5	Very high	92.8	Very high	4 Å²	4	34 Å²	34	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	108.6	172.4	-173.5	2.9	0	0	0	108.9	Y295 F368 Y369 L558 I566 K571 F573 G580 I581	Y295-W578 AromaticContact CE1-CH2 3.99Å; Y295-W578 HydrophobicContact CE1-CH2 3.99Å; Y295-W578 AromaticContact CZ-CH2 3.89Å; Y295-W578 WeakPolarHBondContact OH-CH2 3.4Å; Y295-W578 WeakPolarHBondContact OH-CZ3 3.43Å; F368-W578 HydrophobicContact CB-CE3 4.11Å; F368-W578 HydrophobicContact CB-CZ3 3.9Å; F368-W578 HydrophobicContact CD1-CH2 4.21Å; F368-W578 HydrophobicContact CD1-CZ3 4.17Å; F368-W578 HydrophobicContact CG-CZ3 4.47Å; Y369-W578 HydrophobicContact CD2-CB 4.41Å; L558-W578 HydrophobicContact CD1-CD2 4.08Å; L558-W578 HydrophobicContact CD1-CE3 4.41Å; L558-W578 HydrophobicContact CD1-CH2 4.04Å; L558-W578 HydrophobicContact CD1-CZ2 3.67Å; L558-W578 HydrophobicContact CD1-CZ3 4.39Å; L558-W578 HydrophobicContact CD2-CD2 4.15Å; L558-W578 HydrophobicContact CD2-CE3 4.33Å; L558-W578 HydrophobicContact CD2-CG 4.3Å; I566-W578 HydrophobicContact CD1-CH2 4.18Å; I566-W578 HydrophobicContact CD1-CZ2 4.3Å; I566-W578 HydrophobicContact CG2-CH2 4.11Å; I566-W578 HydrophobicContact CG2-CZ2 4Å; K571-W578 HydrophobicContact CD-CH2 4.25Å; K571-W578 HydrophobicContact CD-CZ2 3.91Å; K571-W578 HydrophobicContact CG-CZ2 3.8Å; F573-W578 HydrophobicContact CD1-CB 3.9Å; F573-W578 HydrophobicContact CD1-CG 4.49Å; F573-W578 HydrophobicContact CE1-CB 3.63Å; F573-W578 HydrophobicContact CE1-CG 4.01Å; F573-W578 HydrophobicContact CZ-CB 4.36Å; F573-W578 HydrophobicContact CZ-CG 4.26Å; W578-G580 PolarHBondContact NE1-O 3.19Å; W578-I581 HydrophobicContact CZ2-CG2 4.27Å
579	V	92.6	Very high	93.1	Very high	21 Å²	21	29.7 Å²	29.7	13%	0.127	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-48	-174	-174.1	0	0	0	0	110.7	L547 M555 L558 I572 V574 C577	L547-V579 HydrophobicContact CD2-CB 4.4Å; L547-V579 HydrophobicContact CD2-CG1 3.87Å; L547-V579 HydrophobicContact CD2-CG2 3.65Å; M555-V579 HydrophobicContact CE-CB 4.46Å; M555-V579 HydrophobicContact CE-CG1 3.5Å; M555-V579 HydrophobicContact SD-CG1 3.96Å; L558-V579 PolarHBondContact N-O 3.25Å; I572-V579 PolarHBondContact O-N 3.47Å; V574-V579 HydrophobicContact CB-CG2 3.9Å; V574-V579 HydrophobicContact CG2-CG2 3.81Å; C577-V579 PolarHBondContact O-N 3.32Å
580	G	92.7	Very high	93.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	-160.6	-177.9	0	0	0	0	0	113.2	E556 I572 W578	E556-G580 WeakPolarHBondContact O-CA 3.2Å; I572-G580 PolarHBondContact N-O 3.47Å; W578-G580 PolarHBondContact NE1-O 3.19Å
581	I	93.5	Very high	93.1	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	157.2	177.5	63.4	164.3	0	0	0	111.2	E556 V561 A569 T570 K571 W578	E556-I581 HydrophobicContact CB-CG1 3.94Å; E556-I581 PolarHBondContact N-O 2.82Å; E556-I581 PolarHBondContact O-N 3.1Å; V561-I581 HydrophobicContact CB-CD1 4.28Å; V561-I581 HydrophobicContact CG1-CD1 3.47Å; V561-I581 VanDerWaalsContact CG1-CD1 3.47Å; V561-I581 HydrophobicContact CG1-CG1 4.29Å; V561-I581 HydrophobicContact CG2-CD1 3.78Å; V561-I581 HydrophobicContact CG2-CG1 3.81Å; A569-I581 HydrophobicContact CB-CB 3.92Å; A569-I581 HydrophobicContact CB-CD1 3.59Å; A569-I581 HydrophobicContact CB-CG1 4.21Å; T570-I581 CarbonylContact O-C 3.55Å; T570-I581 VanDerWaalsContact O-CA 3.26Å; T570-I581 WeakPolarHBondContact O-CA 3.37Å; K571-I581 HydrophobicContact CG-CG2 4.49Å; W578-I581 HydrophobicContact CZ2-CG2 4.27Å
582	H	93.3	Very high	93	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.028	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	142.3	175.7	-166.2	-92	0	0	0	111	W553 S554 T570 I572 D584 L588	W553-H582 PolarHBondContact O-CD2 3.38Å; W553-H582 PolarHBondContact O-NE2 2.89Å; S554-H582 PolarHBondContact OG-NE2 2.94Å; T570-H582 PolarHBondContact N-O 2.81Å; T570-H582 PolarHBondContact O-N 2.96Å; I572-H582 HydrophobicContact CD1-CB 3.55Å; I572-H582 HydrophobicContact CG1-CB 4.34Å; H582-D584 VanDerWaalsContact CE1-C 3.49Å; H582-D584 PolarHBondContact CE1-O 2.95Å; H582-D584 PolarHBondContact ND1-N 2.87Å; H582-D584 VanDerWaalsContact ND1-N 3.12Å; H582-D584 PolarHBondContact ND1-O 2.77Å; H582-L588 HydrophobicContact CB-CD2 4.3Å
583	R	91.2	Very high	92.8	Very high	182 Å²	182	37.8 Å²	37.8	69%	0.687	18%	0.184	S	C	*	.	S	Bend	trans	-88.3	-31.6	-175.2	-60.1	-177.5	-169.7	-166.9	0.6	113	E556 P585	E556-R583 IonicContact OE1-CZ 3.46Å; E556-R583 IonicContact OE1-NE 3.29Å; E556-R583 PolarHBondContact OE1-NE 2.86Å; E556-R583 IonicContact OE1-NH2 3.85Å; E556-R583 PolarHBondContact OE1-NH2 3.46Å; E556-R583 IonicContact OE2-NH2 2.94Å; R583-P585 VanDerWaalsContact O-CD 3.23Å; R583-P585 WeakPolarHBondContact O-CD 3.24Å
584	D	92.7	Very high	92.5	Very high	60 Å²	60	43.4 Å²	43.4	32%	0.321	21%	0.208	S	C	.	.			trans	-115	77.4	179.2	-169.5	-5.9	0	0	0	112.5	H582 E586 Q587	H582-D584 VanDerWaalsContact CE1-C 3.49Å; H582-D584 PolarHBondContact CE1-O 2.95Å; H582-D584 PolarHBondContact ND1-N 2.87Å; H582-D584 VanDerWaalsContact ND1-N 3.12Å; H582-D584 PolarHBondContact ND1-O 2.77Å; D584-E586 PolarHBondContact O-N 3.39Å; D584-E586 PolarHBondContact OD1-N 3.47Å; D584-Q587 PolarHBondContact OD1-N 3.3Å; D584-Q587 WeakPolarHBondContact OD2-CG 3.36Å; D584-Q587 PolarHBondContact OD2-NE2 3.18Å; D584-Q587 VanDerWaalsContact OD2-NE2 3.14Å; D584-Q587 PolarHBondContact OD2-OE1 3.43Å
585	P	93.3	Very high	92.4	Very high	18 Å²	18	44.2 Å²	44.2	12%	0.117	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-19.4	-175.7	28.8	-38.3	0	0	0	114.4	T570 R583 M589 I617	T570-P585 HydrophobicContact CG2-CB 4Å; T570-P585 WeakPolarHBondContact OG1-CG 3.45Å; R583-P585 VanDerWaalsContact O-CD 3.23Å; R583-P585 WeakPolarHBondContact O-CD 3.24Å; P585-M589 WeakPolarHBondContact O-CB 3.46Å; P585-M589 PolarHBondContact O-N 3.26Å; P585-M589 VanDerWaalsContact O-N 3.1Å; P585-I617 HydrophobicContact CB-CD1 3.74Å
586	E	92.2	Very high	92.3	Very high	122 Å²	122	44 Å²	44	57%	0.57	21%	0.21	S	C	*	.	H	α-helix	trans	-79.7	-45.9	-173.4	-173.4	166.7	170.9	0	0	112.2	D584 L588 M589 T590	D584-E586 PolarHBondContact O-N 3.39Å; D584-E586 PolarHBondContact OD1-N 3.47Å; E586-L588 VanDerWaalsContact C-N 3.32Å; E586-M589 PolarHBondContact O-N 2.92Å; E586-T590 PolarHBondContact O-N 3.19Å; E586-T590 PolarHBondContact O-OG1 2.96Å
587	Q	93.1	Very high	92.2	Very high	112 Å²	112	46.3 Å²	46.3	52%	0.523	22%	0.218	S	C	.	.	H	α-helix	trans	-63.9	-40.9	173.6	-67.5	-172.5	13.3	0	0	111.5	W553 D584 T590 T591	W553-Q587 HydrophobicContact CH2-CB 4.4Å; W553-Q587 HydrophobicContact CZ3-CB 4.41Å; D584-Q587 PolarHBondContact OD1-N 3.3Å; D584-Q587 WeakPolarHBondContact OD2-CG 3.36Å; D584-Q587 PolarHBondContact OD2-NE2 3.18Å; D584-Q587 VanDerWaalsContact OD2-NE2 3.14Å; D584-Q587 PolarHBondContact OD2-OE1 3.43Å; Q587-T590 PolarHBondContact O-N 3.16Å; Q587-T591 WeakPolarHBondContact O-CB 3.44Å; Q587-T591 PolarHBondContact O-N 3.13Å; Q587-T591 PolarHBondContact O-OG1 2.88Å
588	L	92.9	Very high	91.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-49.1	176.7	179.5	62.4	0	0	0	111.2	L550 W553 I572 H582 E586 T590 T591 L592 I617	L550-L588 HydrophobicContact CD2-CD1 4.12Å; L550-L588 HydrophobicContact CD2-CD2 4.34Å; W553-L588 HydrophobicContact CB-CD1 4.41Å; W553-L588 HydrophobicContact CE3-CD1 4.33Å; I572-L588 HydrophobicContact CD1-CD2 3.59Å; H582-L588 HydrophobicContact CB-CD2 4.3Å; E586-L588 VanDerWaalsContact C-N 3.32Å; L588-T590 VanDerWaalsContact C-N 3.33Å; L588-T590 PolarHBondContact O-N 3.29Å; L588-T591 PolarHBondContact O-N 3.23Å; L588-L592 HydrophobicContact CD1-CD1 4.12Å; L588-L592 HydrophobicContact CD1-CG 4.17Å; L588-L592 HydrophobicContact CG-CD1 3.97Å; L588-L592 HydrophobicContact CG-CG 4.43Å; L588-L592 WeakPolarHBondContact O-CB 3.41Å; L588-L592 WeakPolarHBondContact O-CG 3.44Å; L588-L592 PolarHBondContact O-N 3.24Å; L588-I617 HydrophobicContact CD2-CD1 4.2Å
589	M	92.4	Very high	91.3	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-38.9	-179.7	-169.6	66.2	-168.1	0	0	112.4	P585 E586 T591 L592 R593 M608 R610	P585-M589 WeakPolarHBondContact O-CB 3.46Å; P585-M589 PolarHBondContact O-N 3.26Å; P585-M589 VanDerWaalsContact O-N 3.1Å; E586-M589 PolarHBondContact O-N 2.92Å; M589-T591 VanDerWaalsContact C-N 3.34Å; M589-L592 PolarHBondContact O-N 3.27Å; M589-R593 HydrophobicContact CE-CG 4.01Å; M589-R593 VanDerWaalsContact CE-NE 3.34Å; M589-R593 WeakPolarHBondContact O-CB 3.47Å; M589-R593 WeakPolarHBondContact O-CG 3.31Å; M589-R593 PolarHBondContact O-N 2.94Å; M589-M608 HydrophobicContact CE-CB 3.61Å; M589-M608 HydrophobicContact SD-CB 4.26Å; M589-R610 HydrophobicContact SD-CB 4.43Å
590	T	91.6	Very high	90.5	Very high	87 Å²	87	57.5 Å²	57.5	53%	0.534	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-42.7	177	-56.5	0	0	0	0	111	E586 Q587 L588 K594	E586-T590 PolarHBondContact O-N 3.19Å; E586-T590 PolarHBondContact O-OG1 2.96Å; Q587-T590 PolarHBondContact O-N 3.16Å; L588-T590 VanDerWaalsContact C-N 3.33Å; L588-T590 PolarHBondContact O-N 3.29Å; T590-K594 WeakPolarHBondContact O-CB 3.3Å; T590-K594 PolarHBondContact O-N 3.45Å
591	T	92.4	Very high	89.3	Confident	37 Å²	37	60.7 Å²	60.7	23%	0.227	29%	0.286	C	S	.	.	H	α-helix	trans	-66.4	-46.4	178.1	-55.8	0	0	0	0	111.4	F549 W553 Q587 L588 M589 R593 K594 L595	F549-T591 HydrophobicContact CZ-CG2 4.02Å; W553-T591 HydrophobicContact CZ2-CG2 4.11Å; Q587-T591 WeakPolarHBondContact O-CB 3.44Å; Q587-T591 PolarHBondContact O-N 3.13Å; Q587-T591 PolarHBondContact O-OG1 2.88Å; L588-T591 PolarHBondContact O-N 3.23Å; M589-T591 VanDerWaalsContact C-N 3.34Å; T591-R593 PolarHBondContact O-N 3.22Å; T591-K594 WeakPolarHBondContact O-CB 3.33Å; T591-K594 PolarHBondContact O-N 3.24Å; T591-K594 VanDerWaalsContact O-N 3.15Å; T591-L595 HydrophobicContact CG2-CD1 4.35Å; T591-L595 WeakPolarHBondContact O-CG 3.45Å; T591-L595 PolarHBondContact O-N 3.09Å
592	L	91.7	Very high	88.1	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-42.3	177.7	-74	173.7	0	0	0	112.5	F549 L550 L588 M589 K594 L595 R596 M608 I619	F549-L592 HydrophobicContact CD1-CD2 3.79Å; F549-L592 HydrophobicContact CE1-CD2 3.52Å; F549-L592 HydrophobicContact CE1-CG 4.33Å; L550-L592 HydrophobicContact CD2-CD1 4.49Å; L588-L592 HydrophobicContact CD1-CD1 4.12Å; L588-L592 HydrophobicContact CD1-CG 4.17Å; L588-L592 HydrophobicContact CG-CD1 3.97Å; L588-L592 HydrophobicContact CG-CG 4.43Å; L588-L592 WeakPolarHBondContact O-CB 3.41Å; L588-L592 WeakPolarHBondContact O-CG 3.44Å; L588-L592 PolarHBondContact O-N 3.24Å; M589-L592 PolarHBondContact O-N 3.27Å; L592-K594 VanDerWaalsContact C-N 3.34Å; L592-K594 PolarHBondContact O-N 2.88Å; L592-L595 PolarHBondContact O-N 3.15Å; L592-R596 PolarHBondContact O-N 2.88Å; L592-M608 HydrophobicContact CB-CE 4.25Å; L592-M608 HydrophobicContact CB-SD 3.53Å; L592-M608 VanDerWaalsContact CB-SD 3.53Å; L592-M608 HydrophobicContact CD1-SD 4.16Å; L592-M608 HydrophobicContact CG-SD 4.3Å; L592-I619 HydrophobicContact CD1-CD1 4.15Å
593	R	90.6	Very high	87.4	Confident	77 Å²	77	63.8 Å²	63.8	29%	0.291	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-41.8	173.4	-77	178	174	162.2	0.1	111.8	M589 T591 L595 R596 R597 M608	M589-R593 HydrophobicContact CE-CG 4.01Å; M589-R593 VanDerWaalsContact CE-NE 3.34Å; M589-R593 WeakPolarHBondContact O-CB 3.47Å; M589-R593 WeakPolarHBondContact O-CG 3.31Å; M589-R593 PolarHBondContact O-N 2.94Å; T591-R593 PolarHBondContact O-N 3.22Å; R593-L595 PolarHBondContact O-N 3.16Å; R593-R596 PolarHBondContact O-N 2.83Å; R593-R597 WeakPolarHBondContact O-CB 3.29Å; R593-R597 VanDerWaalsContact O-CG 3.27Å; R593-R597 WeakPolarHBondContact O-CG 3.37Å; R593-R597 PolarHBondContact O-N 3.37Å; R593-M608 HydrophobicContact CG-CE 4.27Å
594	K	90.4	Very high	86.8	Confident	129 Å²	129	56.3 Å²	56.3	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-60.8	-44.4	176.2	-172.7	177.6	178.7	-179.4	0	111.6	T590 T591 L592 R597 Q598	T590-K594 WeakPolarHBondContact O-CB 3.3Å; T590-K594 PolarHBondContact O-N 3.45Å; T591-K594 WeakPolarHBondContact O-CB 3.33Å; T591-K594 PolarHBondContact O-N 3.24Å; T591-K594 VanDerWaalsContact O-N 3.15Å; L592-K594 VanDerWaalsContact C-N 3.34Å; L592-K594 PolarHBondContact O-N 2.88Å; K594-R597 PolarHBondContact O-N 3.45Å; K594-Q598 WeakPolarHBondContact O-CG 3.25Å; K594-Q598 PolarHBondContact O-N 3.01Å; K594-Q598 VanDerWaalsContact O-N 3.1Å
595	L	91	Very high	86.4	Confident	21 Å²	21	54.2 Å²	54.2	11%	0.11	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-41.1	177.3	-70.4	171.3	0	0	0	112.6	F549 T591 L592 R593 R597 Q598 M599 D600 V602	F549-L595 HydrophobicContact CD1-CD1 4.36Å; F549-L595 HydrophobicContact CD2-CD1 4.06Å; F549-L595 HydrophobicContact CE1-CD1 3.77Å; F549-L595 HydrophobicContact CE2-CD1 3.41Å; F549-L595 VanDerWaalsContact CE2-CD1 3.41Å; F549-L595 HydrophobicContact CG-CD1 4.5Å; F549-L595 HydrophobicContact CZ-CD1 3.25Å; T591-L595 HydrophobicContact CG2-CD1 4.35Å; T591-L595 WeakPolarHBondContact O-CG 3.45Å; T591-L595 PolarHBondContact O-N 3.09Å; L592-L595 PolarHBondContact O-N 3.15Å; R593-L595 PolarHBondContact O-N 3.16Å; L595-R597 VanDerWaalsContact C-N 3.35Å; L595-R597 PolarHBondContact O-N 3.29Å; L595-Q598 PolarHBondContact O-N 3.11Å; L595-M599 PolarHBondContact O-N 3.1Å; L595-D600 HydrophobicContact CD2-CB 4.45Å; L595-D600 PolarHBondContact O-N 3.08Å; L595-V602 HydrophobicContact CB-CG2 4.25Å
596	R	91.8	Very high	86.4	Confident	6 Å²	6	53.5 Å²	53.5	2%	0.023	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-43.6	174.4	-179.6	177.9	175	-170	19.3	112	L592 R593 Q598 M599 V602 S604 V606 M608 E668 Y669 E674	L592-R596 PolarHBondContact O-N 2.88Å; R593-R596 PolarHBondContact O-N 2.83Å; R596-Q598 VanDerWaalsContact C-N 3.26Å; R596-Q598 PolarHBondContact O-N 2.8Å; R596-M599 PolarHBondContact O-N 2.99Å; R596-M599 VanDerWaalsContact O-N 3.15Å; R596-V602 HydrophobicContact CB-CB 4.2Å; R596-V602 HydrophobicContact CB-CG1 3.85Å; R596-V602 HydrophobicContact CG-CG1 4.18Å; R596-S604 PolarHBondContact NE-O 3.3Å; R596-V606 VanDerWaalsContact CZ-O 3.29Å; R596-V606 PolarHBondContact NE-O 3.32Å; R596-V606 PolarHBondContact NH2-O 3Å; R596-M608 HydrophobicContact CB-CE 3.99Å; R596-M608 HydrophobicContact CG-CE 4.48Å; R596-E668 WeakPolarHBondContact CD-OE1 3.47Å; R596-E668 IonicContact CZ-OE1 3.21Å; R596-E668 VanDerWaalsContact CZ-OE1 3.28Å; R596-E668 IonicContact NE-OE1 2.84Å; R596-E668 PolarHBondContact NE-OE1 3.26Å; R596-E668 IonicContact NH1-OE1 2.72Å; R596-E668 PolarHBondContact NH1-OE1 2.74Å; R596-Y669 PolarHBondContact NH2-O 2.93Å; R596-E674 IonicContact CZ-OE1 2.66Å; R596-E674 IonicContact CZ-OE2 2.8Å; R596-E674 VanDerWaalsContact NH1-CD 3.29Å; R596-E674 IonicContact NH1-OE1 2.94Å; R596-E674 PolarHBondContact NH1-OE1 2.75Å; R596-E674 IonicContact NH1-OE2 3.37Å; R596-E674 PolarHBondContact NH1-OE2 3.21Å; R596-E674 IonicContact NH2-OE2 2.74Å; R596-E674 PolarHBondContact NH2-OE2 3.05Å; R596-E674 VanDerWaalsContact NH2-OE2 3.1Å
597	R	89.7	Confident	86.4	Confident	55 Å²	55	47.7 Å²	47.7	21%	0.208	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-23.8	179.6	-71	171.2	-176.9	-173.2	-4.9	113.5	R593 K594 L595 I632 E634 G665 E668	R593-R597 WeakPolarHBondContact O-CB 3.29Å; R593-R597 VanDerWaalsContact O-CG 3.27Å; R593-R597 WeakPolarHBondContact O-CG 3.37Å; R593-R597 PolarHBondContact O-N 3.37Å; K594-R597 PolarHBondContact O-N 3.45Å; L595-R597 VanDerWaalsContact C-N 3.35Å; L595-R597 PolarHBondContact O-N 3.29Å; R597-I632 HydrophobicContact CG-CD1 4.02Å; R597-E634 IonicContact CZ-OE1 2.96Å; R597-E634 IonicContact NH1-OE1 3.28Å; R597-E634 PolarHBondContact NH1-OE1 3.41Å; R597-G665 WeakPolarHBondContact O-CA 3.28Å; R597-E668 IonicContact CZ-OE2 3.69Å; R597-E668 IonicContact NE-OE2 3.16Å; R597-E668 PolarHBondContact NE-OE2 2.91Å; R597-E668 IonicContact NH2-OE2 2.89Å
598	Q	87.2	Confident	86.4	Confident	112 Å²	112	42.4 Å²	42.4	52%	0.523	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.3	174.5	-69.8	178.8	-32.1	0	0	113.2	K594 L595 R596 D600	K594-Q598 WeakPolarHBondContact O-CG 3.25Å; K594-Q598 PolarHBondContact O-N 3.01Å; K594-Q598 VanDerWaalsContact O-N 3.1Å; L595-Q598 PolarHBondContact O-N 3.11Å; R596-Q598 VanDerWaalsContact C-N 3.26Å; R596-Q598 PolarHBondContact O-N 2.8Å; Q598-D600 VanDerWaalsContact C-N 3.26Å; Q598-D600 PolarHBondContact O-N 2.79Å
599	M	81.7	Confident	86.5	Confident	70 Å²	70	42.4 Å²	42.4	35%	0.345	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	42.8	-174.2	-68.2	-147.4	-96.8	0	0	113.9	L595 R596 S659 V662 A663	L595-M599 PolarHBondContact O-N 3.1Å; R596-M599 PolarHBondContact O-N 2.99Å; R596-M599 VanDerWaalsContact O-N 3.15Å; M599-S659 VanDerWaalsContact CE-O 3.29Å; M599-S659 WeakPolarHBondContact CE-O 3.11Å; M599-V662 HydrophobicContact CE-CB 3.69Å; M599-V662 HydrophobicContact CE-CG1 3.65Å; M599-V662 HydrophobicContact CG-CG1 4.4Å; M599-V662 HydrophobicContact SD-CG1 3.87Å; M599-A663 VanDerWaalsContact CE-CA 3.44Å; M599-A663 HydrophobicContact CE-CB 3.61Å
600	D	76.2	Confident	86.6	Confident	106 Å²	106	45.1 Å²	45.1	57%	0.567	22%	0.223	S	C	*	.	S	Bend	trans	-86.2	-112.5	178.9	-168.9	17.7	0	0	0	110.6	L595 Q598 V602	L595-D600 HydrophobicContact CD2-CB 4.45Å; L595-D600 PolarHBondContact O-N 3.08Å; Q598-D600 VanDerWaalsContact C-N 3.26Å; Q598-D600 PolarHBondContact O-N 2.79Å; D600-V602 VanDerWaalsContact C-N 3.27Å; D600-V602 PolarHBondContact O-N 3.25Å
601	I	67.3	Low	86.7	Confident	66 Å²	66	42.5 Å²	42.5	34%	0.338	21%	0.206	S	C	.	.	S	Bend	trans	-66.4	-32.4	178.5	-57.7	169.6	0	0	0	111.5	P545 F549	P545-I601 HydrophobicContact CB-CG2 3.7Å; F549-I601 HydrophobicContact CB-CD1 4.46Å; F549-I601 HydrophobicContact CD2-CD1 3.99Å
602	V	66.8	Low	86.7	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.018	23%	0.227	C	C	.	.	S	Bend	trans	-97.9	104.9	-173.5	-175.4	0	0	0	0	109.6	L595 R596 D600 V606	L595-V602 HydrophobicContact CB-CG2 4.25Å; R596-V602 HydrophobicContact CB-CB 4.2Å; R596-V602 HydrophobicContact CB-CG1 3.85Å; R596-V602 HydrophobicContact CG-CG1 4.18Å; D600-V602 VanDerWaalsContact C-N 3.27Å; D600-V602 PolarHBondContact O-N 3.25Å; V602-V606 HydrophobicContact CG1-CB 3.57Å; V602-V606 HydrophobicContact CG1-CG1 3.88Å; V602-V606 HydrophobicContact CG1-CG2 3.9Å
603	V	79.5	Confident	86.7	Confident	71 Å²	71	55 Å²	55	43%	0.43	26%	0.257	S	S	.	.			trans	-59.7	146.6	174	-171.1	0	0	0	0	109.7	E605 V606	V603-E605 HydrophobicContact CG1-CG 4.36Å; V603-E605 PolarHBondContact O-N 3.15Å; V603-V606 HydrophobicContact CB-CG2 4.38Å; V603-V606 WeakPolarHBondContact O-CB 3.44Å; V603-V606 WeakPolarHBondContact O-CG2 3.23Å; V603-V606 PolarHBondContact O-N 3.33Å
604	S	78.4	Confident	86.6	Confident	24 Å²	24	52.9 Å²	52.9	17%	0.168	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.2	-179.6	63.5	0	0	0	0	114.3	R596 V606	R596-S604 PolarHBondContact NE-O 3.3Å; S604-V606 VanDerWaalsContact C-N 3.34Å; S604-V606 PolarHBondContact O-N 2.93Å
605	E	84.9	Confident	86.7	Confident	17 Å²	17	53.1 Å²	53.1	8%	0.079	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-23	177.9	-58.6	-164.9	169.1	0	0	114.4	Y536 S538 V539 G540 V603 S607 R625	Y536-E605 HydrophobicContact CE1-CG 4.07Å; Y536-E605 WeakPolarHBondContact CE1-OE1 3.44Å; Y536-E605 VanDerWaalsContact CZ-OE1 3.31Å; Y536-E605 PolarHBondContact OH-OE1 3.1Å; S538-E605 WeakPolarHBondContact CA-OE2 3.46Å; S538-E605 WeakPolarHBondContact CB-OE2 3.43Å; V539-E605 PolarHBondContact N-OE2 3.5Å; G540-E605 PolarHBondContact N-OE2 3.49Å; V603-E605 HydrophobicContact CG1-CG 4.36Å; V603-E605 PolarHBondContact O-N 3.15Å; E605-S607 PolarHBondContact O-N 3.39Å; E605-R625 PolarHBondContact O-NH1 3.45Å; E605-R625 PolarHBondContact O-NH2 3.1Å
606	V	92.3	Very high	86.8	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.012	25%	0.245	C	C	.	.			trans	-66.7	121.9	-174.8	178.2	0	0	0	0	109.8	I546 R596 V602 V603 S604 M608 I619 T621	I546-V606 HydrophobicContact CD1-CG1 3.89Å; I546-V606 HydrophobicContact CD1-CG2 4Å; R596-V606 VanDerWaalsContact CZ-O 3.29Å; R596-V606 PolarHBondContact NE-O 3.32Å; R596-V606 PolarHBondContact NH2-O 3Å; V602-V606 HydrophobicContact CG1-CB 3.57Å; V602-V606 HydrophobicContact CG1-CG1 3.88Å; V602-V606 HydrophobicContact CG1-CG2 3.9Å; V603-V606 HydrophobicContact CB-CG2 4.38Å; V603-V606 WeakPolarHBondContact O-CB 3.44Å; V603-V606 WeakPolarHBondContact O-CG2 3.23Å; V603-V606 PolarHBondContact O-N 3.33Å; S604-V606 VanDerWaalsContact C-N 3.34Å; S604-V606 PolarHBondContact O-N 2.93Å; V606-M608 HydrophobicContact CG1-CG 4.26Å; V606-I619 HydrophobicContact CG1-CG2 3.72Å; V606-T621 HydrophobicContact CB-CG2 4.44Å; V606-T621 HydrophobicContact CG1-CG2 3.96Å; V606-T621 HydrophobicContact CG2-CG2 3.85Å
607	S	93.6	Very high	87	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	140.7	176.1	168.6	0	0	0	0	110.6	E605 I619 Y620 R625 D671	E605-S607 PolarHBondContact O-N 3.39Å; S607-I619 CarbonylContact O-C 3.59Å; S607-I619 VanDerWaalsContact O-CA 3.31Å; S607-I619 WeakPolarHBondContact O-CA 3.45Å; S607-Y620 PolarHBondContact N-O 3.23Å; S607-Y620 PolarHBondContact O-N 3.19Å; S607-R625 VanDerWaalsContact CB-NH1 3.26Å; S607-D671 WeakPolarHBondContact CB-OD2 3.43Å; S607-D671 PolarHBondContact OG-OD1 3.36Å; S607-D671 PolarHBondContact OG-OD2 3.32Å
608	M	93.1	Very high	87.3	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	120.2	-178.6	-57.3	-179.4	-75.4	0	0	109.4	M589 L592 R593 R596 V606 I619	M589-M608 HydrophobicContact CE-CB 3.61Å; M589-M608 HydrophobicContact SD-CB 4.26Å; L592-M608 HydrophobicContact CB-CE 4.25Å; L592-M608 HydrophobicContact CB-SD 3.53Å; L592-M608 VanDerWaalsContact CB-SD 3.53Å; L592-M608 HydrophobicContact CD1-SD 4.16Å; L592-M608 HydrophobicContact CG-SD 4.3Å; R593-M608 HydrophobicContact CG-CE 4.27Å; R596-M608 HydrophobicContact CB-CE 3.99Å; R596-M608 HydrophobicContact CG-CE 4.48Å; V606-M608 HydrophobicContact CG1-CG 4.26Å; M608-I619 HydrophobicContact CG-CG1 4.29Å; M608-I619 HydrophobicContact CG-CG2 4.42Å
609	V	94.5	Very high	87.6	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.2	-174.2	-173.4	0	0	0	0	108.8	I617 R618 M673 E674 T677	V609-I617 CarbonylContact O-C 3.53Å; V609-I617 WeakPolarHBondContact O-CA 3.38Å; V609-R618 HydrophobicContact CB-CB 4.41Å; V609-R618 PolarHBondContact N-O 3.22Å; V609-R618 PolarHBondContact O-N 3.14Å; V609-M673 HydrophobicContact CG2-CB 3.9Å; V609-E674 HydrophobicContact CG2-CB 4.3Å; V609-T677 HydrophobicContact CG1-CG2 3.65Å
610	R	94.5	Very high	88.3	Confident	61 Å²	61	42.4 Å²	42.4	23%	0.23	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.4	173.1	-179.1	-178.6	173.9	-164.5	0.4	109	M589 I612 I617	M589-R610 HydrophobicContact SD-CB 4.43Å; R610-I612 HydrophobicContact CG-CG1 4.39Å; R610-I612 PolarHBondContact O-N 2.98Å; R610-I617 HydrophobicContact CB-CG1 4.41Å; R610-I617 HydrophobicContact CG-CG1 4.2Å
611	D	93	Very high	89.1	Confident	32 Å²	32	37.4 Å²	37.4	17%	0.171	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	102.5	171.3	-163.8	-35.4	0	0	0	109.4	R613 D614 R615 E616 R618	D611-R613 VanDerWaalsContact C-N 3.32Å; D611-R613 PolarHBondContact OD1-N 3.44Å; D611-D614 HydrophobicContact CB-CB 4.39Å; D611-D614 PolarHBondContact OD1-N 2.97Å; D611-D614 VanDerWaalsContact OD1-N 3.13Å; D611-R615 WeakPolarHBondContact O-CA 3.32Å; D611-R615 PolarHBondContact O-N 2.89Å; D611-E616 HydrophobicContact CB-CB 4.38Å; D611-E616 PolarHBondContact N-O 2.96Å; D611-E616 PolarHBondContact O-N 3.26Å; D611-E616 VanDerWaalsContact O-N 3.16Å; D611-R618 IonicContact OD2-NH2 3.55Å; D611-R618 PolarHBondContact OD2-NH2 3.08Å; D611-R618 VanDerWaalsContact OD2-NH2 3.12Å
612	I	92.4	Very high	90.2	Very high	129 Å²	129	35.1 Å²	35.1	66%	0.662	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-34.8	-176.8	-58.4	173.1	0	0	0	110.8	R610	R610-I612 HydrophobicContact CG-CG1 4.39Å; R610-I612 PolarHBondContact O-N 2.98Å
613	R	91.3	Very high	91.4	Very high	170 Å²	170	36.7 Å²	36.7	64%	0.642	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-45.3	-176.4	-179.8	179	173.9	177.7	-2.7	111.1	R384 D611	R384-R613 PolarHBondContact O-NH2 3.5Å; D611-R613 VanDerWaalsContact C-N 3.32Å; D611-R613 PolarHBondContact OD1-N 3.44Å
614	D	88.5	Confident	92	Very high	34 Å²	34	33.5 Å²	33.5	18%	0.182	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.7	-177.5	-69.7	-22.9	0	0	0	113.7	R385 D611 E616	R385-D614 IonicContact CZ-OD2 3.75Å; R385-D614 IonicContact NE-OD2 3.36Å; R385-D614 IonicContact NH1-OD1 3.77Å; R385-D614 IonicContact NH1-OD2 2.76Å; R385-D614 PolarHBondContact NH1-OD2 3.15Å; R385-D614 IonicContact NH2-OD2 3.65Å; R385-D614 PolarHBondContact NH2-OD2 3.5Å; D611-D614 HydrophobicContact CB-CB 4.39Å; D611-D614 PolarHBondContact OD1-N 2.97Å; D611-D614 VanDerWaalsContact OD1-N 3.13Å; D614-E616 HydrophobicContact CB-CG 4.08Å
615	R	92.7	Very high	92.8	Very high	133 Å²	133	32.7 Å²	32.7	50%	0.502	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	52.2	-173.5	-53	-180	-171.2	173	0.9	111.6	A567 T570 K571 D611	A567-R615 PolarHBondContact O-NH1 2.84Å; T570-R615 WeakPolarHBondContact CA-O 3.43Å; T570-R615 WeakPolarHBondContact CG2-O 3.34Å; K571-R615 PolarHBondContact N-O 3.11Å; D611-R615 WeakPolarHBondContact O-CA 3.32Å; D611-R615 PolarHBondContact O-N 2.89Å
616	E	93.9	Very high	93.3	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.028	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.3	178.3	-61.3	-178.9	167.2	0	0	110.8	Y372 R376 K571 F573 D611 D614	Y372-E616 WeakPolarHBondContact CE2-OE1 3.37Å; Y372-E616 VanDerWaalsContact CZ-OE1 3.26Å; Y372-E616 PolarHBondContact OH-OE1 3.41Å; Y372-E616 PolarHBondContact OH-OE2 3.07Å; Y372-E616 VanDerWaalsContact OH-OE2 3.1Å; R376-E616 IonicContact CZ-OE2 3.67Å; R376-E616 IonicContact NH2-OE1 3.42Å; R376-E616 IonicContact NH2-OE2 3.44Å; R376-E616 PolarHBondContact NH2-OE2 3.42Å; K571-E616 CarbonylContact O-C 3.41Å; K571-E616 WeakPolarHBondContact O-CA 3.35Å; F573-E616 HydrophobicContact CE2-CB 4.39Å; F573-E616 HydrophobicContact CE2-CG 4.13Å; D611-E616 HydrophobicContact CB-CB 4.38Å; D611-E616 PolarHBondContact N-O 2.96Å; D611-E616 PolarHBondContact O-N 3.26Å; D611-E616 VanDerWaalsContact O-N 3.16Å; D614-E616 HydrophobicContact CB-CG 4.08Å
617	I	95.7	Very high	93.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.9	164.5	-67.9	170.1	0	0	0	107.3	T570 K571 I572 F573 P585 L588 V609 R610 I619	T570-I617 HydrophobicContact CG2-CD1 4.07Å; T570-I617 HydrophobicContact CG2-CG1 3.88Å; K571-I617 PolarHBondContact O-N 3.36Å; I572-I617 CarbonylContact C-O 3.11Å; I572-I617 WeakPolarHBondContact CA-O 3.48Å; I572-I617 HydrophobicContact CG1-CB 4.31Å; F573-I617 PolarHBondContact N-O 3.48Å; P585-I617 HydrophobicContact CB-CD1 3.74Å; L588-I617 HydrophobicContact CD2-CD1 4.2Å; V609-I617 CarbonylContact O-C 3.53Å; V609-I617 WeakPolarHBondContact O-CA 3.38Å; R610-I617 HydrophobicContact CB-CG1 4.41Å; R610-I617 HydrophobicContact CG-CG1 4.2Å; I617-I619 HydrophobicContact CG2-CD1 4.5Å; I617-I619 HydrophobicContact CG2-CG1 4.21Å
618	R	95.2	Very high	93.5	Very high	21 Å²	21	32.4 Å²	32.4	8%	0.079	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.4	-179.3	-66.3	178.2	-91.4	161.7	-6.4	109	F573 V609 D611 Y620	F573-R618 HydrophobicContact CB-CG 4.25Å; F573-R618 HydrophobicContact CD2-CG 4.22Å; V609-R618 HydrophobicContact CB-CB 4.41Å; V609-R618 PolarHBondContact N-O 3.22Å; V609-R618 PolarHBondContact O-N 3.14Å; D611-R618 IonicContact OD2-NH2 3.55Å; D611-R618 PolarHBondContact OD2-NH2 3.08Å; D611-R618 VanDerWaalsContact OD2-NH2 3.12Å; R618-Y620 HydrophobicContact CB-CE2 3.89Å
619	I	95.1	Very high	93.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.5	178.3	-58.3	172.2	0	0	0	108.2	I546 L550 F573 V574 N575 L592 V606 S607 M608 I617	I546-I619 HydrophobicContact CD1-CG2 4.41Å; I546-I619 HydrophobicContact CG2-CD1 4.35Å; I546-I619 HydrophobicContact CG2-CG2 4.42Å; L550-I619 HydrophobicContact CD1-CD1 4.1Å; F573-I619 PolarHBondContact O-N 3.02Å; V574-I619 CarbonylContact C-O 3.6Å; V574-I619 WeakPolarHBondContact CA-O 3.43Å; V574-I619 HydrophobicContact CG2-CB 4.33Å; V574-I619 HydrophobicContact CG2-CD1 4.45Å; N575-I619 PolarHBondContact N-O 3.46Å; L592-I619 HydrophobicContact CD1-CD1 4.15Å; V606-I619 HydrophobicContact CG1-CG2 3.72Å; S607-I619 CarbonylContact O-C 3.59Å; S607-I619 VanDerWaalsContact O-CA 3.31Å; S607-I619 WeakPolarHBondContact O-CA 3.45Å; M608-I619 HydrophobicContact CG-CG1 4.29Å; M608-I619 HydrophobicContact CG-CG2 4.42Å; I617-I619 HydrophobicContact CG2-CD1 4.5Å; I617-I619 HydrophobicContact CG2-CG1 4.21Å
620	Y	94.5	Very high	93.6	Very high	10 Å²	10	32.3 Å²	32.3	4%	0.039	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.9	179.1	-64.8	-78.4	0	0	0	111	S607 R618 R625	S607-Y620 PolarHBondContact N-O 3.23Å; S607-Y620 PolarHBondContact O-N 3.19Å; R618-Y620 HydrophobicContact CB-CE2 3.89Å; Y620-R625 PolarHBondContact O-NH2 3.23Å
621	T	93	Very high	93.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	14%	0.136	C	C	.	.			trans	-118.7	6.4	175	60.4	0	0	0	0	112.2	G540 S541 I546 N575 V606	G540-T621 WeakPolarHBondContact CA-O 3.1Å; S541-T621 PolarHBondContact N-O 3.35Å; I546-T621 HydrophobicContact CD1-CG2 3.33Å; N575-T621 VanDerWaalsContact CG-OG1 3.23Å; N575-T621 PolarHBondContact ND2-OG1 3Å; N575-T621 PolarHBondContact OD1-N 3.12Å; N575-T621 PolarHBondContact OD1-OG1 3.16Å; V606-T621 HydrophobicContact CB-CG2 4.44Å; V606-T621 HydrophobicContact CG1-CG2 3.96Å; V606-T621 HydrophobicContact CG2-CG2 3.85Å
622	D	91.4	Very high	93.7	Very high	17 Å²	17	28 Å²	28	9%	0.091	13%	0.128	C	C	.	.			trans	-72.1	156.5	-178.2	66.9	-22.7	0	0	0	112.9	R397 S538 R625	R397-D622 IonicContact CZ-OD1 2.71Å; R397-D622 IonicContact CZ-OD2 3.41Å; R397-D622 IonicContact NE-OD1 3.99Å; R397-D622 PolarHBondContact NE-OD1 2.79Å; R397-D622 IonicContact NE-OD2 3.97Å; R397-D622 PolarHBondContact NE-OD2 3.42Å; R397-D622 IonicContact NH2-OD1 3.87Å; R397-D622 PolarHBondContact NH2-OD1 3.31Å; R397-D622 IonicContact NH2-OD2 2.66Å; R397-D622 PolarHBondContact NH2-OD2 3.36Å; S538-D622 PolarHBondContact OG-O 3.46Å; D622-R625 PolarHBondContact O-NE 3.1Å; D622-R625 VanDerWaalsContact O-NE 3.14Å; D622-R625 PolarHBondContact O-NH2 3.41Å; D622-R625 WeakPolarHBondContact OD1-CD 3.18Å; D622-R625 IonicContact OD1-NE 3.13Å; D622-R625 PolarHBondContact OD1-NE 2.63Å
623	A	91.7	Very high	93.7	Very high	37 Å²	37	22.2 Å²	22.2	31%	0.306	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	153.8	177.7	0	0	0	0	0	112.2	V539	V539-A623 WeakPolarHBondContact O-CB 3.36Å
624	G	93.1	Very high	93.5	Very high	3 Å²	3	18 Å²	18	3%	0.031	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	13.7	172.1	0	0	0	0	0	114.8	R397 L398 S538	R397-G624 CarbonylContact C-O 3.53Å; R397-G624 WeakPolarHBondContact CA-O 2.92Å; L398-G624 PolarHBondContact N-O 3.4Å; L398-G624 VanDerWaalsContact O-CA 3.25Å; L398-G624 WeakPolarHBondContact O-CA 3.22Å; S538-G624 PolarHBondContact O-N 2.93Å; S538-G624 PolarHBondContact OG-N 3.46Å; S538-G624 VanDerWaalsContact OG-N 3.15Å
625	R	95	Very high	93.3	Very high	7 Å²	7	23.8 Å²	23.8	3%	0.026	12%	0.117	C	C	.	.			trans	-78.2	138.8	167.7	-69	179.1	-68.5	107.9	6	108.8	R397 I537 S538 E605 S607 Y620 D622 D671	R397-R625 VanDerWaalsContact CZ-CG 3.44Å; R397-R625 VanDerWaalsContact NE-CG 3.29Å; I537-R625 CarbonylContact C-O 3.6Å; I537-R625 VanDerWaalsContact CA-O 3.26Å; I537-R625 WeakPolarHBondContact CA-O 3.47Å; S538-R625 PolarHBondContact N-O 3.35Å; S538-R625 WeakPolarHBondContact OG-CB 3.44Å; S538-R625 PolarHBondContact OG-N 2.78Å; E605-R625 PolarHBondContact O-NH1 3.45Å; E605-R625 PolarHBondContact O-NH2 3.1Å; S607-R625 VanDerWaalsContact CB-NH1 3.26Å; Y620-R625 PolarHBondContact O-NH2 3.23Å; D622-R625 PolarHBondContact O-NE 3.1Å; D622-R625 VanDerWaalsContact O-NE 3.14Å; D622-R625 PolarHBondContact O-NH2 3.41Å; D622-R625 WeakPolarHBondContact OD1-CD 3.18Å; D622-R625 IonicContact OD1-NE 3.13Å; D622-R625 PolarHBondContact OD1-NE 2.63Å; R625-D671 WeakPolarHBondContact CD-OD2 3.36Å; R625-D671 IonicContact NH1-OD2 3.42Å; R625-D671 PolarHBondContact NH1-OD2 3.42Å; R625-D671 VanDerWaalsContact NH1-OD2 3.16Å
626	V	94.9	Very high	92.8	Very high	6 Å²	6	19.2 Å²	19.2	4%	0.036	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.6	174.1	-169.8	0	0	0	0	107.9	Y393 L398 M513 A535 Y536 I537 D671	Y393-V626 HydrophobicContact CE1-CB 4.23Å; Y393-V626 HydrophobicContact CE1-CG2 3.68Å; L398-V626 HydrophobicContact CD1-CG2 3.45Å; L398-V626 VanDerWaalsContact CD1-CG2 3.45Å; L398-V626 HydrophobicContact CG-CG2 4.15Å; M513-V626 HydrophobicContact CB-CG1 3.89Å; M513-V626 HydrophobicContact CG-CG1 4.26Å; M513-V626 HydrophobicContact SD-CB 4.29Å; M513-V626 HydrophobicContact SD-CG1 3.75Å; A535-V626 HydrophobicContact CB-CG1 4.07Å; Y536-V626 WeakPolarHBondContact O-CA 3.48Å; I537-V626 HydrophobicContact CG1-CG2 4.27Å; V626-D671 WeakPolarHBondContact O-CA 3.44Å
627	C	94.1	Very high	92.4	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	165.1	176.6	58	0	0	0	0	110.8	Y536 I670 D671	Y536-C627 VanDerWaalsContact CD1-SG 3.55Å; Y536-C627 PolarHBondContact N-O 3.3Å; Y536-C627 PolarHBondContact O-N 2.84Å; C627-I670 CarbonylContact C-O 3.58Å; C627-I670 WeakPolarHBondContact CA-O 3.42Å; C627-I670 WeakPolarHBondContact CB-O 3.47Å; C627-D671 HydrophobicContact CB-CB 3.98Å
628	R	94.9	Very high	92	Very high	6 Å²	6	26.6 Å²	26.6	2%	0.023	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.2	176.7	64.6	-177.4	178.8	151	1	109.7	W511 M513 L630 Y669 I670 E675 E703	W511-R628 VanDerWaalsContact CD1-NH1 3.34Å; M513-R628 HydrophobicContact CE-CB 4.42Å; M513-R628 HydrophobicContact CE-CG 3.87Å; M513-R628 HydrophobicContact SD-CB 4.25Å; M513-R628 HydrophobicContact SD-CG 4.29Å; R628-L630 HydrophobicContact CG-CD2 4.47Å; R628-L630 HydrophobicContact CG-CG 4.36Å; R628-Y669 CarbonylContact O-C 3.52Å; R628-I670 PolarHBondContact N-O 2.66Å; R628-I670 PolarHBondContact O-N 2.86Å; R628-E675 IonicContact CZ-OE1 3.45Å; R628-E675 IonicContact NE-OE1 3.62Å; R628-E675 IonicContact NE-OE2 2.91Å; R628-E675 IonicContact NH2-OE1 3.77Å; R628-E675 PolarHBondContact NH2-OE1 3.35Å; R628-E675 IonicContact NH2-OE2 2.88Å; R628-E703 IonicContact CZ-OE2 3.1Å; R628-E703 IonicContact NH1-OE2 3.33Å; R628-E703 PolarHBondContact NH1-OE2 3.49Å
629	P	95.3	Very high	91.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133.7	174.1	30.3	-32.8	0	0	0	110.8	Y38 M534 W658 V667 E668 Y669 I704	Y38-P629 HydrophobicContact CE2-CG 4.22Å; M534-P629 HydrophobicContact CB-CG 4.26Å; M534-P629 HydrophobicContact CE-CG 3.49Å; M534-P629 VanDerWaalsContact CE-CG 3.49Å; M534-P629 WeakPolarHBondContact O-CD 3.3Å; M534-P629 HydrophobicContact SD-CG 4.39Å; P629-W658 HydrophobicContact CB-CH2 3.75Å; P629-W658 HydrophobicContact CB-CZ2 3.62Å; P629-W658 HydrophobicContact CG-CH2 4.15Å; P629-W658 HydrophobicContact CG-CZ2 4.12Å; P629-V667 HydrophobicContact CB-CG1 3.62Å; P629-E668 CarbonylContact C-O 3.52Å; P629-E668 WeakPolarHBondContact CA-O 3.37Å; P629-Y669 HydrophobicContact CB-CD1 4.23Å; P629-Y669 HydrophobicContact CB-CE1 4.09Å; P629-Y669 HydrophobicContact CG-CE1 4.34Å; P629-I704 HydrophobicContact CB-CD1 4.33Å; P629-I704 HydrophobicContact CG-CD1 4.28Å
630	L	95.8	Very high	91.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.3	173.7	-65	179.9	0	0	0	110.3	R628 V667 E668 I670 I678 V680 H701	R628-L630 HydrophobicContact CG-CD2 4.47Å; R628-L630 HydrophobicContact CG-CG 4.36Å; L630-V667 WeakPolarHBondContact O-CA 3.49Å; L630-V667 WeakPolarHBondContact O-CG1 3.29Å; L630-E668 PolarHBondContact N-O 2.84Å; L630-E668 PolarHBondContact O-N 2.85Å; L630-I670 HydrophobicContact CB-CG1 4.42Å; L630-I670 HydrophobicContact CD1-CB 4.15Å; L630-I670 HydrophobicContact CD1-CG1 3.95Å; L630-I670 HydrophobicContact CG-CG1 4.39Å; L630-I678 HydrophobicContact CD1-CD1 3.96Å; L630-V680 HydrophobicContact CD1-CG1 4.35Å; L630-V680 HydrophobicContact CD1-CG2 3.92Å; L630-H701 HydrophobicContact CB-CB 4.16Å; L630-H701 HydrophobicContact CD1-CB 4.13Å
631	L	94.9	Very high	91.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	137.4	177.2	-67.5	160.1	0	0	0	110.5	W27 L638 L640 V666 V667 H701 C702 I704	W27-L631 HydrophobicContact CH2-CD1 3.37Å; W27-L631 HydrophobicContact CZ2-CD1 4.13Å; W27-L631 HydrophobicContact CZ3-CD1 4.27Å; L631-L638 HydrophobicContact CB-CD2 4.02Å; L631-L640 HydrophobicContact CD2-CB 4.4Å; L631-L640 HydrophobicContact CD2-CD2 4.31Å; L631-V666 HydrophobicContact CD2-CG1 4.35Å; L631-V667 HydrophobicContact CD2-CG2 3.87Å; L631-H701 CarbonylContact O-C 3.53Å; L631-H701 WeakPolarHBondContact O-CA 3.38Å; L631-C702 HydrophobicContact CB-CB 4.35Å; L631-C702 PolarHBondContact N-O 3.21Å; L631-C702 PolarHBondContact O-N 3.25Å; L631-I704 HydrophobicContact CD1-CB 4.49Å; L631-I704 HydrophobicContact CD1-CG1 3.97Å; L631-I704 HydrophobicContact CG-CG1 3.89Å
632	I	94.5	Very high	91	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.9	178.8	-67.3	162.5	0	0	0	110.1	R597 E634 L639 G665 V666 E668	R597-I632 HydrophobicContact CG-CD1 4.02Å; I632-E634 HydrophobicContact CG2-CG 4.02Å; I632-L639 PolarHBondContact O-N 3.34Å; I632-G665 WeakPolarHBondContact CD1-O 3.38Å; I632-V666 PolarHBondContact N-O 3.12Å; I632-E668 HydrophobicContact CD1-CB 3.95Å; I632-E668 HydrophobicContact CG1-CB 4.01Å
633	V	92.4	Very high	90.9	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.4	172.6	178.3	0	0	0	0	108.2	R637 L638 L687 S700 C702	V633-R637 WeakPolarHBondContact CA-O 3.42Å; V633-L638 HydrophobicContact CG2-CD2 4Å; V633-L687 HydrophobicContact CG1-CD2 4Å; V633-L687 HydrophobicContact CG2-CD2 4.23Å; V633-S700 PolarHBondContact N-O 2.86Å; V633-C702 HydrophobicContact CG2-CB 3.91Å
634	E	87.7	Confident	90.8	Very high	83 Å²	83	39.1 Å²	39.1	39%	0.388	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.6	173.4	-68.8	-165.1	163.3	0	0	109.8	R597 I632 N636 R637 L639	R597-E634 IonicContact CZ-OE1 2.96Å; R597-E634 IonicContact NH1-OE1 3.28Å; R597-E634 PolarHBondContact NH1-OE1 3.41Å; I632-E634 HydrophobicContact CG2-CG 4.02Å; E634-N636 PolarHBondContact O-N 2.81Å; E634-R637 PolarHBondContact N-O 2.91Å; E634-R637 PolarHBondContact O-N 3.05Å; E634-R637 VanDerWaalsContact O-O 3.09Å; E634-L639 HydrophobicContact CB-CD1 4.47Å; E634-L639 HydrophobicContact CG-CD1 4.34Å
635	N	83.3	Confident	90.6	Very high	154 Å²	154	39 Å²	39	82%	0.824	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	41.3	-178.5	-57.7	-40.5	0	0	0	113	R637	N635-R637 PolarHBondContact O-N 3.33Å
636	N	81.9	Confident	90.2	Very high	38 Å²	38	41.6 Å²	41.6	20%	0.203	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	20.7	-176.4	-63.9	-39.6	0	0	0	115.3	E634 P688 S689 D697	E634-N636 PolarHBondContact O-N 2.81Å; N636-P688 HydrophobicContact CB-CG 4.43Å; N636-S689 PolarHBondContact O-OG 2.88Å; N636-S689 VanDerWaalsContact O-OG 3.12Å; N636-D697 PolarHBondContact ND2-O 3.24Å; N636-D697 PolarHBondContact OD1-O 3.03Å
637	R	85.8	Confident	89.9	Confident	138 Å²	138	42.9 Å²	42.9	52%	0.521	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.2	174	-65	177.3	-178.3	-155.2	11.9	110.3	E21 V633 E634 N635	E21-R637 VanDerWaalsContact OE1-CD 3.26Å; E21-R637 WeakPolarHBondContact OE1-CD 3.14Å; E21-R637 IonicContact OE1-CZ 3Å; E21-R637 IonicContact OE1-NE 2.77Å; E21-R637 PolarHBondContact OE1-NE 3.11Å; E21-R637 IonicContact OE1-NH1 3.96Å; E21-R637 PolarHBondContact OE1-NH1 3.42Å; V633-R637 WeakPolarHBondContact CA-O 3.42Å; E634-R637 PolarHBondContact N-O 2.91Å; E634-R637 PolarHBondContact O-N 3.05Å; E634-R637 VanDerWaalsContact O-O 3.09Å; N635-R637 PolarHBondContact O-N 3.33Å
638	L	88.7	Confident	89.5	Confident	23 Å²	23	43.2 Å²	43.2	12%	0.12	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.6	171.4	-77.1	163.1	0	0	0	110.3	L631 V633 K641 P684 L687 C702	L631-L638 HydrophobicContact CB-CD2 4.02Å; V633-L638 HydrophobicContact CG2-CD2 4Å; L638-K641 PolarHBondContact O-NZ 2.89Å; L638-P684 HydrophobicContact CD1-CB 3.59Å; L638-P684 HydrophobicContact CD1-CG 3.65Å; L638-L687 HydrophobicContact CD1-CD1 4.3Å; L638-L687 HydrophobicContact CG-CD1 3.93Å; L638-C702 HydrophobicContact CD2-CB 3.92Å
639	L	90.3	Very high	89	Confident	51 Å²	51	48.5 Å²	48.5	27%	0.267	23%	0.23	S	C	.	.	S	Bend	trans	-71.8	-25.9	172.5	-152.9	80.8	0	0	0	111.5	I632 E634 K641 G665	I632-L639 PolarHBondContact O-N 3.34Å; E634-L639 HydrophobicContact CB-CD1 4.47Å; E634-L639 HydrophobicContact CG-CD1 4.34Å; L639-K641 PolarHBondContact O-N 2.83Å; L639-G665 WeakPolarHBondContact CD2-O 3.49Å
640	L	89.9	Confident	88.2	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	26%	0.256	C	S	.	.			trans	-64.8	123.8	173.1	-178.2	79	0	0	0	110.6	I22 W27 I34 L631 H644 I645 L661 V666	I22-L640 HydrophobicContact CD1-CD2 3.77Å; I22-L640 HydrophobicContact CD1-CG 3.92Å; W27-L640 HydrophobicContact CH2-CD2 4.47Å; W27-L640 HydrophobicContact CZ3-CD2 3.79Å; I34-L640 HydrophobicContact CD1-CD1 4.12Å; I34-L640 HydrophobicContact CD1-CD2 3.44Å; I34-L640 VanDerWaalsContact CD1-CD2 3.44Å; I34-L640 HydrophobicContact CD1-CG 4.43Å; L631-L640 HydrophobicContact CD2-CB 4.4Å; L631-L640 HydrophobicContact CD2-CD2 4.31Å; L640-H644 HydrophobicContact CD1-CB 4.03Å; L640-I645 HydrophobicContact CD1-CD1 4.12Å; L640-I645 HydrophobicContact CD2-CD1 4.21Å; L640-I645 HydrophobicContact CG-CD1 4.44Å; L640-L661 HydrophobicContact CD1-CD2 4.37Å; L640-V666 HydrophobicContact CB-CG1 3.64Å; L640-V666 HydrophobicContact CD1-CG1 3.68Å; L640-V666 HydrophobicContact CG-CG1 4.28Å
641	K	89.1	Confident	86.8	Confident	54 Å²	54	58.9 Å²	58.9	24%	0.235	28%	0.278	C	S	.	.			trans	-114.8	164.1	177.7	-56.6	-54.8	-178.6	-164.6	0	111.5	L638 L639 K643 H644	L638-K641 PolarHBondContact O-NZ 2.89Å; L639-K641 PolarHBondContact O-N 2.83Å; K641-K643 VanDerWaalsContact C-N 3.27Å; K641-K643 PolarHBondContact O-N 3.2Å; K641-H644 PolarHBondContact N-ND1 3.16Å; K641-H644 WeakPolarHBondContact O-CB 3.5Å; K641-H644 PolarHBondContact O-N 2.89Å; K641-H644 VanDerWaalsContact O-N 3.11Å
642	K	87.6	Confident	85.3	Confident	72 Å²	72	66.1 Å²	66.1	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-56.5	-39	178.3	-170.3	-177.1	173.1	-173.5	0	112.8	H644 I645 D646	K642-H644 VanDerWaalsContact C-N 3.25Å; K642-H644 PolarHBondContact O-N 2.86Å; K642-I645 WeakPolarHBondContact O-CA 3.35Å; K642-I645 WeakPolarHBondContact O-CB 2.95Å; K642-I645 PolarHBondContact O-N 3.28Å; K642-D646 PolarHBondContact O-N 2.95Å
643	K	88.8	Confident	83.8	Confident	133 Å²	133	75 Å²	75	58%	0.578	36%	0.356	S	S	*	.	H	α-helix	trans	-51.3	-40.7	175.1	-178.3	178.6	178.8	176.5	0	113.6	K641 I645 S647	K641-K643 VanDerWaalsContact C-N 3.27Å; K641-K643 PolarHBondContact O-N 3.2Å; K643-I645 VanDerWaalsContact C-N 3.34Å; K643-S647 WeakPolarHBondContact O-CB 3.47Å; K643-S647 PolarHBondContact O-N 2.89Å; K643-S647 PolarHBondContact O-OG 2.78Å
644	H	89.5	Confident	82.4	Confident	37 Å²	37	76.3 Å²	76.3	17%	0.171	37%	0.365	C	S	.	.	H	α-helix	trans	-66.4	-39.2	178	-57.2	152.3	0	0	0	111.2	L640 K641 K642 S647 L648 L661	L640-H644 HydrophobicContact CD1-CB 4.03Å; K641-H644 PolarHBondContact N-ND1 3.16Å; K641-H644 WeakPolarHBondContact O-CB 3.5Å; K641-H644 PolarHBondContact O-N 2.89Å; K641-H644 VanDerWaalsContact O-N 3.11Å; K642-H644 VanDerWaalsContact C-N 3.25Å; K642-H644 PolarHBondContact O-N 2.86Å; H644-S647 PolarHBondContact O-N 2.83Å; H644-L648 WeakPolarHBondContact O-CD1 3.38Å; H644-L648 VanDerWaalsContact O-CG 3.24Å; H644-L648 WeakPolarHBondContact O-CG 3.46Å; H644-L648 PolarHBondContact O-N 3.44Å; H644-L661 HydrophobicContact CB-CD2 4.24Å
645	I	88.2	Confident	81.8	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-68.2	-44.3	178.4	-56.1	-57.8	0	0	0	111.2	I22 A30 I34 L640 K642 K643 S647 L648 K649	I22-I645 HydrophobicContact CD1-CG1 4.27Å; A30-I645 HydrophobicContact CB-CD1 4.09Å; A30-I645 HydrophobicContact CB-CG1 4.09Å; A30-I645 HydrophobicContact CB-CG2 4.28Å; I34-I645 HydrophobicContact CD1-CD1 3.78Å; I34-I645 HydrophobicContact CG1-CD1 3.66Å; L640-I645 HydrophobicContact CD1-CD1 4.12Å; L640-I645 HydrophobicContact CD2-CD1 4.21Å; L640-I645 HydrophobicContact CG-CD1 4.44Å; K642-I645 WeakPolarHBondContact O-CA 3.35Å; K642-I645 WeakPolarHBondContact O-CB 2.95Å; K642-I645 PolarHBondContact O-N 3.28Å; K643-I645 VanDerWaalsContact C-N 3.34Å; I645-S647 VanDerWaalsContact C-N 3.29Å; I645-S647 PolarHBondContact O-N 2.82Å; I645-L648 HydrophobicContact CD1-CD1 4.36Å; I645-L648 PolarHBondContact O-N 3.25Å; I645-K649 HydrophobicContact CG2-CD 4.42Å; I645-K649 WeakPolarHBondContact O-CG 3.3Å; I645-K649 PolarHBondContact O-N 2.64Å
646	D	87.9	Confident	81.9	Confident	60 Å²	60	71.7 Å²	71.7	32%	0.321	35%	0.349	S	S	.	.	H	α-helix	trans	-64.1	-39	178.3	-66.1	-23.2	0	0	0	110.4	K642 L648 K649 E650	K642-D646 PolarHBondContact O-N 2.95Å; D646-L648 PolarHBondContact O-N 2.77Å; D646-K649 PolarHBondContact O-N 2.78Å; D646-E650 PolarHBondContact O-N 2.81Å; D646-E650 VanDerWaalsContact O-N 3.1Å
647	S	87.3	Confident	82.1	Confident	33 Å²	33	72 Å²	72	23%	0.231	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-41.3	173.1	-54.4	0	0	0	0	112.6	K643 H644 I645 K649 E650 S654	K643-S647 WeakPolarHBondContact O-CB 3.47Å; K643-S647 PolarHBondContact O-N 2.89Å; K643-S647 PolarHBondContact O-OG 2.78Å; H644-S647 PolarHBondContact O-N 2.83Å; I645-S647 VanDerWaalsContact C-N 3.29Å; I645-S647 PolarHBondContact O-N 2.82Å; S647-K649 VanDerWaalsContact C-N 3.34Å; S647-E650 PolarHBondContact O-N 2.82Å; S647-S654 PolarHBondContact O-OG 3.08Å
648	L	85.7	Confident	82.4	Confident	10 Å²	10	65.5 Å²	65.5	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-68.5	-30.9	176.3	-69.4	161.7	0	0	0	112.9	V33 I34 A37 H644 I645 D646 H651 Y656 L661	V33-L648 HydrophobicContact CG1-CB 3.96Å; I34-L648 HydrophobicContact CG1-CD1 4.33Å; A37-L648 HydrophobicContact CB-CD2 3.91Å; H644-L648 WeakPolarHBondContact O-CD1 3.38Å; H644-L648 VanDerWaalsContact O-CG 3.24Å; H644-L648 WeakPolarHBondContact O-CG 3.46Å; H644-L648 PolarHBondContact O-N 3.44Å; I645-L648 HydrophobicContact CD1-CD1 4.36Å; I645-L648 PolarHBondContact O-N 3.25Å; D646-L648 PolarHBondContact O-N 2.77Å; L648-H651 WeakPolarHBondContact O-CB 3.24Å; L648-Y656 HydrophobicContact CD2-CD1 3.62Å; L648-Y656 HydrophobicContact CD2-CE1 3.93Å; L648-Y656 HydrophobicContact CG-CD1 3.82Å; L648-Y656 HydrophobicContact CG-CE1 3.96Å; L648-L661 HydrophobicContact CD1-CD1 3.69Å; L648-L661 HydrophobicContact CD1-CD2 4.22Å; L648-L661 HydrophobicContact CD1-CG 4.24Å; L648-L661 HydrophobicContact CD2-CD1 3.89Å; L648-L661 HydrophobicContact CD2-CG 4.28Å; L648-L661 HydrophobicContact CG-CD1 4.35Å
649	K	84	Confident	82.4	Confident	117 Å²	117	66.6 Å²	66.6	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-72.2	-32.6	176.2	-74.2	177.3	178.8	176	0	111.9	V33 I645 D646 S647 H651	V33-K649 HydrophobicContact CG1-CG 4.09Å; V33-K649 HydrophobicContact CG2-CG 4.43Å; I645-K649 HydrophobicContact CG2-CD 4.42Å; I645-K649 WeakPolarHBondContact O-CG 3.3Å; I645-K649 PolarHBondContact O-N 2.64Å; D646-K649 PolarHBondContact O-N 2.78Å; S647-K649 VanDerWaalsContact C-N 3.34Å; K649-H651 PolarHBondContact O-N 3.18Å
650	E	80.2	Confident	82.4	Confident	120 Å²	120	67 Å²	67	56%	0.561	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	24.8	176.4	-66	-178.3	179.4	0	0	113	D646 S647 D652 F653 S654	D646-E650 PolarHBondContact O-N 2.81Å; D646-E650 VanDerWaalsContact O-N 3.1Å; S647-E650 PolarHBondContact O-N 2.82Å; E650-D652 PolarHBondContact O-N 3.34Å; E650-F653 PolarHBondContact O-N 3.16Å; E650-S654 PolarHBondContact O-N 3.47Å; E650-S654 PolarHBondContact O-OG 3.1Å
651	H	65.8	Low	82.4	Confident	97 Å²	97	66.8 Å²	66.8	45%	0.449	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-26.7	-175.5	-174.9	-79.3	0	0	0	114.1	L648 K649 F653 S654 Y656	L648-H651 WeakPolarHBondContact O-CB 3.24Å; K649-H651 PolarHBondContact O-N 3.18Å; H651-F653 PolarHBondContact O-N 3.48Å; H651-S654 CarbonylContact C-O 3.57Å; H651-S654 WeakPolarHBondContact CA-O 3.24Å; H651-Y656 PolarHBondContact CD2-O 3.17Å
652	D	62.9	Low	82.5	Confident	153 Å²	153	64.6 Å²	64.6	82%	0.818	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.7	176	-70.7	-21.5	0	0	0	113	E650	E650-D652 PolarHBondContact O-N 3.34Å
653	F	62.3	Low	82.5	Confident	189 Å²	189	63.1 Å²	63.1	83%	0.829	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-34.7	-177.3	-59.8	-76.5	0	0	0	113	E650 H651	E650-F653 PolarHBondContact O-N 3.16Å; H651-F653 PolarHBondContact O-N 3.48Å
654	S	63.6	Low	82.5	Confident	34 Å²	34	61 Å²	61	24%	0.238	33%	0.326	C	S	.	.	S	Bend	trans	-104.3	128.6	175.6	82.4	0	0	0	0	109.3	S647 E650 H651 Y656	S647-S654 PolarHBondContact O-OG 3.08Å; E650-S654 PolarHBondContact O-N 3.47Å; E650-S654 PolarHBondContact O-OG 3.1Å; H651-S654 CarbonylContact C-O 3.57Å; H651-S654 WeakPolarHBondContact CA-O 3.24Å; S654-Y656 PolarHBondContact O-N 2.84Å
655	S	75.9	Confident	82.5	Confident	107 Å²	107	59.6 Å²	59.6	75%	0.748	32%	0.321	S	S	*	.			trans	-74.3	33.7	176.4	64.4	0	0	0	0	112.3	T657	S655-T657 PolarHBondContact O-N 3.16Å
656	Y	84.8	Confident	82.7	Confident	34 Å²	34	59.5 Å²	59.5	13%	0.133	32%	0.321	C	S	.	.			trans	-83.2	108.5	-173.6	-166.4	-101.4	0	0	0	109.9	L648 H651 S654 D660 L661 N664	L648-Y656 HydrophobicContact CD2-CD1 3.62Å; L648-Y656 HydrophobicContact CD2-CE1 3.93Å; L648-Y656 HydrophobicContact CG-CD1 3.82Å; L648-Y656 HydrophobicContact CG-CE1 3.96Å; H651-Y656 PolarHBondContact CD2-O 3.17Å; S654-Y656 PolarHBondContact O-N 2.84Å; Y656-D660 HydrophobicContact CD2-CB 3.72Å; Y656-D660 HydrophobicContact CE2-CB 3.57Å; Y656-D660 HydrophobicContact CG-CB 4.37Å; Y656-L661 HydrophobicContact CE1-CD2 4.08Å; Y656-L661 HydrophobicContact CE1-CG 3.95Å; Y656-N664 WeakPolarHBondContact CE2-ND2 3.49Å; Y656-N664 PolarHBondContact OH-ND2 2.81Å
657	T	86.8	Confident	82.9	Confident	44 Å²	44	56.9 Å²	56.9	27%	0.27	31%	0.307	S	S	.	.			trans	-107.2	176.1	-170.3	60.9	0	0	0	0	112.6	S655 S659 D660 L661	S655-T657 PolarHBondContact O-N 3.16Å; T657-S659 VanDerWaalsContact C-N 3.27Å; T657-S659 PolarHBondContact O-N 2.81Å; T657-D660 PolarHBondContact N-OD2 3.06Å; T657-D660 PolarHBondContact O-N 3Å; T657-D660 PolarHBondContact OG1-OD2 3.33Å; T657-L661 PolarHBondContact O-N 3.22Å
658	W	90.8	Very high	83.2	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-37.8	171.2	168.4	-91.6	0	0	0	111.9	I34 Y38 E41 M534 P629 D660 L661 V662 V667 Y669 I704	I34-W658 HydrophobicContact CG2-CE3 4.38Å; I34-W658 HydrophobicContact CG2-CZ3 3.68Å; Y38-W658 AromaticContact CD2-CD2 3.85Å; Y38-W658 HydrophobicContact CD2-CD2 3.85Å; Y38-W658 AromaticContact CD2-CE2 3.54Å; Y38-W658 HydrophobicContact CD2-CE3 4.26Å; Y38-W658 HydrophobicContact CD2-CG 4.37Å; Y38-W658 HydrophobicContact CD2-CH2 4.01Å; Y38-W658 AromaticContact CD2-CZ2 3.63Å; Y38-W658 HydrophobicContact CD2-CZ2 3.63Å; Y38-W658 HydrophobicContact CD2-CZ3 4.32Å; Y38-W658 AromaticContact CD2-NE1 3.89Å; Y38-W658 HydrophobicContact CE2-CZ2 4.21Å; Y38-W658 HydrophobicContact CG-CD2 4.5Å; E41-W658 HydrophobicContact CB-CB 4.31Å; E41-W658 WeakPolarHBondContact OE2-CB 3.44Å; E41-W658 PolarHBondContact OE2-N 2.97Å; M534-W658 HydrophobicContact CE-CH2 4.41Å; P629-W658 HydrophobicContact CB-CH2 3.75Å; P629-W658 HydrophobicContact CB-CZ2 3.62Å; P629-W658 HydrophobicContact CG-CH2 4.15Å; P629-W658 HydrophobicContact CG-CZ2 4.12Å; W658-D660 PolarHBondContact O-N 3.38Å; W658-L661 HydrophobicContact CE3-CD1 3.96Å; W658-L661 HydrophobicContact CZ3-CD1 4.43Å; W658-L661 WeakPolarHBondContact O-CB 3.29Å; W658-L661 PolarHBondContact O-N 3.19Å; W658-L661 VanDerWaalsContact O-N 3.15Å; W658-V662 HydrophobicContact CZ2-CG2 4.23Å; W658-V662 WeakPolarHBondContact O-CG2 3.33Å; W658-V662 PolarHBondContact O-N 3.3Å; W658-V662 VanDerWaalsContact O-N 3.1Å; W658-V667 HydrophobicContact CH2-CB 4.27Å; W658-V667 HydrophobicContact CH2-CG1 3.59Å; W658-V667 HydrophobicContact CH2-CG2 4.04Å; W658-V667 HydrophobicContact CZ2-CB 4.46Å; W658-V667 HydrophobicContact CZ2-CG1 3.7Å; W658-V667 HydrophobicContact CZ3-CG2 4.29Å; W658-Y669 AromaticContact NE1-CZ 3.88Å; W658-Y669 PolarHBondContact NE1-OH 2.96Å; W658-I704 HydrophobicContact CH2-CD1 4.27Å
659	S	88.6	Confident	83.6	Confident	46 Å²	46	55.6 Å²	55.6	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-57.9	-37.2	174.1	-73.3	0	0	0	0	112.4	E41 M599 T657 V662 A663	E41-S659 VanDerWaalsContact CD-OG 3.25Å; E41-S659 PolarHBondContact OE1-OG 2.81Å; E41-S659 PolarHBondContact OE2-N 3.46Å; E41-S659 PolarHBondContact OE2-OG 3.12Å; E41-S659 VanDerWaalsContact OE2-OG 3.08Å; M599-S659 VanDerWaalsContact CE-O 3.29Å; M599-S659 WeakPolarHBondContact CE-O 3.11Å; T657-S659 VanDerWaalsContact C-N 3.27Å; T657-S659 PolarHBondContact O-N 2.81Å; S659-V662 PolarHBondContact O-N 3.34Å; S659-A663 WeakPolarHBondContact O-CB 3.37Å; S659-A663 PolarHBondContact O-N 2.91Å
660	D	89.9	Confident	84.2	Confident	58 Å²	58	50 Å²	50	31%	0.31	27%	0.272	S	S	.	.	H	α-helix	trans	-70.2	-35.6	176.5	-58	-54.5	0	0	0	112.3	Y656 T657 W658 V662 A663 N664	Y656-D660 HydrophobicContact CD2-CB 3.72Å; Y656-D660 HydrophobicContact CE2-CB 3.57Å; Y656-D660 HydrophobicContact CG-CB 4.37Å; T657-D660 PolarHBondContact N-OD2 3.06Å; T657-D660 PolarHBondContact O-N 3Å; T657-D660 PolarHBondContact OG1-OD2 3.33Å; W658-D660 PolarHBondContact O-N 3.38Å; D660-V662 VanDerWaalsContact C-N 3.31Å; D660-V662 PolarHBondContact O-N 3.42Å; D660-A663 PolarHBondContact O-N 2.91Å; D660-N664 WeakPolarHBondContact O-CB 3.49Å; D660-N664 PolarHBondContact O-N 3.34Å; D660-N664 PolarHBondContact O-ND2 3.43Å
661	L	90.4	Very high	84.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-40.5	171.3	-83.5	168.7	0	0	0	112.6	I34 L640 H644 L648 Y656 T657 W658 V666	I34-L661 HydrophobicContact CG2-CD1 4.47Å; L640-L661 HydrophobicContact CD1-CD2 4.37Å; H644-L661 HydrophobicContact CB-CD2 4.24Å; L648-L661 HydrophobicContact CD1-CD1 3.69Å; L648-L661 HydrophobicContact CD1-CD2 4.22Å; L648-L661 HydrophobicContact CD1-CG 4.24Å; L648-L661 HydrophobicContact CD2-CD1 3.89Å; L648-L661 HydrophobicContact CD2-CG 4.28Å; L648-L661 HydrophobicContact CG-CD1 4.35Å; Y656-L661 HydrophobicContact CE1-CD2 4.08Å; Y656-L661 HydrophobicContact CE1-CG 3.95Å; T657-L661 PolarHBondContact O-N 3.22Å; W658-L661 HydrophobicContact CE3-CD1 3.96Å; W658-L661 HydrophobicContact CZ3-CD1 4.43Å; W658-L661 WeakPolarHBondContact O-CB 3.29Å; W658-L661 PolarHBondContact O-N 3.19Å; W658-L661 VanDerWaalsContact O-N 3.15Å; L661-V666 PolarHBondContact O-N 3.21Å
662	V	90.9	Very high	86.4	Confident	9 Å²	9	40.1 Å²	40.1	6%	0.055	23%	0.227	C	C	.	.	H	α-helix	trans	-69.2	-38.8	175.5	-177.7	0	0	0	0	109.8	M599 W658 S659 D660 N664 G665 V667 Y669	M599-V662 HydrophobicContact CE-CB 3.69Å; M599-V662 HydrophobicContact CE-CG1 3.65Å; M599-V662 HydrophobicContact CG-CG1 4.4Å; M599-V662 HydrophobicContact SD-CG1 3.87Å; W658-V662 HydrophobicContact CZ2-CG2 4.23Å; W658-V662 WeakPolarHBondContact O-CG2 3.33Å; W658-V662 PolarHBondContact O-N 3.3Å; W658-V662 VanDerWaalsContact O-N 3.1Å; S659-V662 PolarHBondContact O-N 3.34Å; D660-V662 VanDerWaalsContact C-N 3.31Å; D660-V662 PolarHBondContact O-N 3.42Å; V662-N664 VanDerWaalsContact C-N 3.31Å; V662-N664 PolarHBondContact O-N 2.97Å; V662-G665 PolarHBondContact O-N 3.43Å; V662-V667 HydrophobicContact CG2-CB 4.48Å; V662-Y669 HydrophobicContact CG2-CE2 4.15Å
663	A	89.3	Confident	87.8	Confident	41 Å²	41	33.1 Å²	33.1	34%	0.339	19%	0.189	S	C	.	.	H	α-helix	trans	-67.9	-33.2	-178	0	0	0	0	0	112.1	M599 S659 D660 G665	M599-A663 VanDerWaalsContact CE-CA 3.44Å; M599-A663 HydrophobicContact CE-CB 3.61Å; S659-A663 WeakPolarHBondContact O-CB 3.37Å; S659-A663 PolarHBondContact O-N 2.91Å; D660-A663 PolarHBondContact O-N 2.91Å; A663-G665 PolarHBondContact O-N 3.14Å
664	N	88.7	Confident	89.4	Confident	89 Å²	89	24.1 Å²	24.1	48%	0.476	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	0.1	173.3	-73.9	-29.6	0	0	0	113.3	Y656 D660 V662 V666	Y656-N664 WeakPolarHBondContact CE2-ND2 3.49Å; Y656-N664 PolarHBondContact OH-ND2 2.81Å; D660-N664 WeakPolarHBondContact O-CB 3.49Å; D660-N664 PolarHBondContact O-N 3.34Å; D660-N664 PolarHBondContact O-ND2 3.43Å; V662-N664 VanDerWaalsContact C-N 3.31Å; V662-N664 PolarHBondContact O-N 2.97Å; N664-V666 VanDerWaalsContact C-N 3.3Å; N664-V666 HydrophobicContact CB-CG2 4.1Å; N664-V666 PolarHBondContact O-N 3.13Å
665	G	88.8	Confident	90.8	Very high	6 Å²	6	24.3 Å²	24.3	6%	0.062	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	29	177	0	0	0	0	0	113.6	R597 I632 L639 V662 A663	R597-G665 WeakPolarHBondContact O-CA 3.28Å; I632-G665 WeakPolarHBondContact CD1-O 3.38Å; L639-G665 WeakPolarHBondContact CD2-O 3.49Å; V662-G665 PolarHBondContact O-N 3.43Å; A663-G665 PolarHBondContact O-N 3.14Å
666	V	91.6	Very high	91.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	14%	0.137	C	C	.	.	S	Bend	trans	-88.3	-31.8	178.9	-177.7	0	0	0	0	111.6	L631 I632 L640 L661 N664	L631-V666 HydrophobicContact CD2-CG1 4.35Å; I632-V666 PolarHBondContact N-O 3.12Å; L640-V666 HydrophobicContact CB-CG1 3.64Å; L640-V666 HydrophobicContact CD1-CG1 3.68Å; L640-V666 HydrophobicContact CG-CG1 4.28Å; L661-V666 PolarHBondContact O-N 3.21Å; N664-V666 VanDerWaalsContact C-N 3.3Å; N664-V666 HydrophobicContact CB-CG2 4.1Å; N664-V666 PolarHBondContact O-N 3.13Å
667	V	93.2	Very high	92	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.024	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.6	-178.3	177.9	0	0	0	0	109.9	P629 L630 L631 W658 V662	P629-V667 HydrophobicContact CB-CG1 3.62Å; L630-V667 WeakPolarHBondContact O-CA 3.49Å; L630-V667 WeakPolarHBondContact O-CG1 3.29Å; L631-V667 HydrophobicContact CD2-CG2 3.87Å; W658-V667 HydrophobicContact CH2-CB 4.27Å; W658-V667 HydrophobicContact CH2-CG1 3.59Å; W658-V667 HydrophobicContact CH2-CG2 4.04Å; W658-V667 HydrophobicContact CZ2-CB 4.46Å; W658-V667 HydrophobicContact CZ2-CG1 3.7Å; W658-V667 HydrophobicContact CZ3-CG2 4.29Å; V662-V667 HydrophobicContact CG2-CB 4.48Å
668	E	93.5	Very high	92.4	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.028	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.1	177.4	-159.1	163.9	174.2	0	0	111.2	R596 R597 P629 L630 I632 I670 H701	R596-E668 WeakPolarHBondContact CD-OE1 3.47Å; R596-E668 IonicContact CZ-OE1 3.21Å; R596-E668 VanDerWaalsContact CZ-OE1 3.28Å; R596-E668 IonicContact NE-OE1 2.84Å; R596-E668 PolarHBondContact NE-OE1 3.26Å; R596-E668 IonicContact NH1-OE1 2.72Å; R596-E668 PolarHBondContact NH1-OE1 2.74Å; R597-E668 IonicContact CZ-OE2 3.69Å; R597-E668 IonicContact NE-OE2 3.16Å; R597-E668 PolarHBondContact NE-OE2 2.91Å; R597-E668 IonicContact NH2-OE2 2.89Å; P629-E668 CarbonylContact C-O 3.52Å; P629-E668 WeakPolarHBondContact CA-O 3.37Å; L630-E668 PolarHBondContact N-O 2.84Å; L630-E668 PolarHBondContact O-N 2.85Å; I632-E668 HydrophobicContact CD1-CB 3.95Å; I632-E668 HydrophobicContact CG1-CB 4.01Å; E668-I670 HydrophobicContact CB-CD1 4.19Å; E668-I670 HydrophobicContact CG-CD1 3.91Å; E668-I670 PolarHBondContact O-N 2.64Å; E668-H701 IonicContact OE2-NE2 2.73Å
669	Y	94.6	Very high	92.5	Very high	11 Å²	11	27.5 Å²	27.5	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	94.8	179.8	-81.8	-82.9	0	0	0	111.9	Y536 R596 R628 P629 W658 V662	Y536-Y669 HydrophobicContact CD1-CE1 4.48Å; Y536-Y669 HydrophobicContact CG-CE1 4.32Å; R596-Y669 PolarHBondContact NH2-O 2.93Å; R628-Y669 CarbonylContact O-C 3.52Å; P629-Y669 HydrophobicContact CB-CD1 4.23Å; P629-Y669 HydrophobicContact CB-CE1 4.09Å; P629-Y669 HydrophobicContact CG-CE1 4.34Å; W658-Y669 AromaticContact NE1-CZ 3.88Å; W658-Y669 PolarHBondContact NE1-OH 2.96Å; V662-Y669 HydrophobicContact CG2-CE2 4.15Å
670	I	95.8	Very high	92.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.7	-175.4	-56.5	-53.9	0	0	0	111	C627 R628 L630 E668 E674 E675 I678	C627-I670 CarbonylContact C-O 3.58Å; C627-I670 WeakPolarHBondContact CA-O 3.42Å; C627-I670 WeakPolarHBondContact CB-O 3.47Å; R628-I670 PolarHBondContact N-O 2.66Å; R628-I670 PolarHBondContact O-N 2.86Å; L630-I670 HydrophobicContact CB-CG1 4.42Å; L630-I670 HydrophobicContact CD1-CB 4.15Å; L630-I670 HydrophobicContact CD1-CG1 3.95Å; L630-I670 HydrophobicContact CG-CG1 4.39Å; E668-I670 HydrophobicContact CB-CD1 4.19Å; E668-I670 HydrophobicContact CG-CD1 3.91Å; E668-I670 PolarHBondContact O-N 2.64Å; I670-E674 HydrophobicContact CD1-CG 4.16Å; I670-E674 HydrophobicContact CG2-CB 3.96Å; I670-E674 HydrophobicContact CG2-CG 4.06Å; I670-E675 HydrophobicContact CG2-CB 4.25Å; I670-I678 HydrophobicContact CB-CD1 4.4Å; I670-I678 HydrophobicContact CG1-CD1 4.16Å; I670-I678 HydrophobicContact CG2-CD1 3.64Å
671	D	95.3	Very high	92.9	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	170.3	171.4	82.8	1.5	0	0	0	112.8	S607 R625 V626 C627 M673 E674 E675	S607-D671 WeakPolarHBondContact CB-OD2 3.43Å; S607-D671 PolarHBondContact OG-OD1 3.36Å; S607-D671 PolarHBondContact OG-OD2 3.32Å; R625-D671 WeakPolarHBondContact CD-OD2 3.36Å; R625-D671 IonicContact NH1-OD2 3.42Å; R625-D671 PolarHBondContact NH1-OD2 3.42Å; R625-D671 VanDerWaalsContact NH1-OD2 3.16Å; V626-D671 WeakPolarHBondContact O-CA 3.44Å; C627-D671 HydrophobicContact CB-CB 3.98Å; D671-M673 PolarHBondContact O-N 2.88Å; D671-M673 PolarHBondContact OD1-N 3.05Å; D671-M673 VanDerWaalsContact OD1-N 3.08Å; D671-E674 PolarHBondContact O-N 2.93Å; D671-E674 WeakPolarHBondContact OD1-CB 3.32Å; D671-E674 PolarHBondContact OD1-N 3.02Å; D671-E675 WeakPolarHBondContact O-CB 3.44Å; D671-E675 PolarHBondContact O-N 2.61Å
672	T	95.7	Very high	92.9	Very high	6 Å²	6	28 Å²	28	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-63.4	-24.5	-175.8	-45.5	0	0	0	0	114.1	T509	T509-T672 HydrophobicContact CG2-CG2 4.22Å
673	M	93.7	Very high	92.7	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-81.5	-38.4	178.2	-70.6	-61.8	-53.2	0	0	111	G394 V609 D671 E675 E676	G394-M673 VanDerWaalsContact C-SD 3.52Å; G394-M673 VanDerWaalsContact CA-SD 3.54Å; V609-M673 HydrophobicContact CG2-CB 3.9Å; D671-M673 PolarHBondContact O-N 2.88Å; D671-M673 PolarHBondContact OD1-N 3.05Å; D671-M673 VanDerWaalsContact OD1-N 3.08Å; M673-E675 VanDerWaalsContact C-N 3.3Å; M673-E676 PolarHBondContact O-N 2.69Å
674	E	94.6	Very high	92.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-34.6	173.3	-172	170.6	-166.2	0	0	111.2	R596 V609 I670 D671 E676 T677 I678	R596-E674 IonicContact CZ-OE1 2.66Å; R596-E674 IonicContact CZ-OE2 2.8Å; R596-E674 VanDerWaalsContact NH1-CD 3.29Å; R596-E674 IonicContact NH1-OE1 2.94Å; R596-E674 PolarHBondContact NH1-OE1 2.75Å; R596-E674 IonicContact NH1-OE2 3.37Å; R596-E674 PolarHBondContact NH1-OE2 3.21Å; R596-E674 IonicContact NH2-OE2 2.74Å; R596-E674 PolarHBondContact NH2-OE2 3.05Å; R596-E674 VanDerWaalsContact NH2-OE2 3.1Å; V609-E674 HydrophobicContact CG2-CB 4.3Å; I670-E674 HydrophobicContact CD1-CG 4.16Å; I670-E674 HydrophobicContact CG2-CB 3.96Å; I670-E674 HydrophobicContact CG2-CG 4.06Å; D671-E674 PolarHBondContact O-N 2.93Å; D671-E674 WeakPolarHBondContact OD1-CB 3.32Å; D671-E674 PolarHBondContact OD1-N 3.02Å; E674-E676 PolarHBondContact O-N 2.76Å; E674-E676 VanDerWaalsContact O-N 3.17Å; E674-T677 PolarHBondContact O-N 3.37Å; E674-T677 PolarHBondContact O-OG1 2.97Å; E674-I678 HydrophobicContact CG-CG2 4.43Å; E674-I678 PolarHBondContact O-N 3.13Å
675	E	95	Very high	92.3	Very high	39 Å²	39	27.2 Å²	27.2	18%	0.182	14%	0.144	C	C	.	.	H	α-helix	trans	-54.6	-31.6	175.7	-166.8	170.8	-176.1	0	0	113.4	R628 I670 D671 M673 T677	R628-E675 IonicContact CZ-OE1 3.45Å; R628-E675 IonicContact NE-OE1 3.62Å; R628-E675 IonicContact NE-OE2 2.91Å; R628-E675 IonicContact NH2-OE1 3.77Å; R628-E675 PolarHBondContact NH2-OE1 3.35Å; R628-E675 IonicContact NH2-OE2 2.88Å; I670-E675 HydrophobicContact CG2-CB 4.25Å; D671-E675 WeakPolarHBondContact O-CB 3.44Å; D671-E675 PolarHBondContact O-N 2.61Å; M673-E675 VanDerWaalsContact C-N 3.3Å; E675-T677 PolarHBondContact O-N 2.97Å
676	E	92.9	Very high	92	Very high	115 Å²	115	29 Å²	29	54%	0.537	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.9	177.3	-64.4	-168.1	134.2	0	0	113.4	H392 M673 E674	H392-E676 IonicContact CD2-OE1 3.98Å; H392-E676 PolarHBondContact CD2-OE1 3.49Å; H392-E676 IonicContact CE1-OE1 3.13Å; H392-E676 PolarHBondContact CE1-OE1 2.97Å; H392-E676 IonicContact NE2-OE1 3.84Å; H392-E676 PolarHBondContact NE2-OE1 3.47Å; M673-E676 PolarHBondContact O-N 2.69Å; E674-E676 PolarHBondContact O-N 2.76Å; E674-E676 VanDerWaalsContact O-N 3.17Å
677	T	93	Very high	91.5	Very high	58 Å²	58	29.1 Å²	29.1	36%	0.356	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-11.8	-173.8	65	0	0	0	0	114.3	V609 E674 E675	V609-T677 HydrophobicContact CG1-CG2 3.65Å; E674-T677 PolarHBondContact O-N 3.37Å; E674-T677 PolarHBondContact O-OG1 2.97Å; E675-T677 PolarHBondContact O-N 2.97Å
678	I	93.6	Very high	90.5	Very high	21 Å²	21	29.9 Å²	29.9	11%	0.108	16%	0.158	C	C	.	.			trans	-100.4	161.9	-176.8	61.7	162.3	0	0	0	111.7	L630 I670 E674 V680 S700	L630-I678 HydrophobicContact CD1-CD1 3.96Å; I670-I678 HydrophobicContact CB-CD1 4.4Å; I670-I678 HydrophobicContact CG1-CD1 4.16Å; I670-I678 HydrophobicContact CG2-CD1 3.64Å; E674-I678 HydrophobicContact CG-CG2 4.43Å; E674-I678 PolarHBondContact O-N 3.13Å; I678-V680 HydrophobicContact CD1-CG2 3.54Å; I678-V680 HydrophobicContact CG1-CG2 4.07Å; I678-S700 WeakPolarHBondContact CB-OG 3.29Å
679	M	93.4	Very high	89.3	Confident	60 Å²	60	32.7 Å²	32.7	30%	0.296	18%	0.178	S	C	.	.			trans	-117.2	117.6	173.6	-167.5	62.3	-177.2	0	0	109.6	Y695 C696 Y699 S700 H701	M679-Y695 HydrophobicContact CE-CE2 3.41Å; M679-Y695 VanDerWaalsContact CE-CE2 3.41Å; M679-Y695 WeakPolarHBondContact CE-OH 3.4Å; M679-C696 HydrophobicContact CE-CB 4.08Å; M679-Y699 HydrophobicContact CE-CE1 4.15Å; M679-Y699 HydrophobicContact CG-CD1 3.88Å; M679-Y699 HydrophobicContact CG-CE1 4.27Å; M679-S700 PolarHBondContact N-OG 3.46Å; M679-S700 PolarHBondContact O-N 3.27Å; M679-S700 PolarHBondContact O-OG 3.22Å; M679-H701 PolarHBondContact O-N 2.98Å; M679-H701 VanDerWaalsContact O-N 3.12Å
680	V	93.9	Very high	87.9	Confident	34 Å²	34	36.6 Å²	36.6	21%	0.206	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.7	-172.8	-172.9	0	0	0	0	110.6	L630 I678 H701	L630-V680 HydrophobicContact CD1-CG1 4.35Å; L630-V680 HydrophobicContact CD1-CG2 3.92Å; I678-V680 HydrophobicContact CD1-CG2 3.54Å; I678-V680 HydrophobicContact CG1-CG2 4.07Å; V680-H701 CarbonylContact C-O 3.55Å; V680-H701 WeakPolarHBondContact CA-O 3.26Å; V680-H701 HydrophobicContact CG2-CB 4.28Å
681	A	92.2	Very high	86.6	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	137.5	169	0	0	0	0	0	110.7	L687 Y699 H701 C702 E703	A681-L687 HydrophobicContact CB-CD2 3.89Å; A681-L687 HydrophobicContact CB-CG 4.42Å; A681-Y699 HydrophobicContact CB-CD1 3.7Å; A681-Y699 HydrophobicContact CB-CE1 3.9Å; A681-Y699 HydrophobicContact CB-CG 4.09Å; A681-H701 PolarHBondContact N-O 3.01Å; A681-C702 HydrophobicContact CB-CB 4.28Å; A681-C702 WeakPolarHBondContact O-CA 3.26Å; A681-C702 PolarHBondContact O-SG 3.4Å; A681-E703 PolarHBondContact O-N 2.86Å
682	M	90.6	Very high	85.3	Confident	80 Å²	80	44.9 Å²	44.9	39%	0.394	25%	0.249	S	C	.	.	S	Bend	trans	-73.8	-40.5	-178.7	-72.7	-65.6	-65.2	0	0	112.8	W511 P706	W511-M682 HydrophobicContact CH2-CE 4.14Å; W511-M682 HydrophobicContact CZ2-CE 3.82Å; W511-M682 HydrophobicContact CZ2-SD 4.06Å; M682-P706 HydrophobicContact CE-CB 4.29Å; M682-P706 HydrophobicContact CE-CG 4.23Å
683	T	87.2	Confident	83.8	Confident	42 Å²	42	49.7 Å²	49.7	26%	0.258	29%	0.29	S	S	.	.	S	Bend	trans	-135.3	154.2	174.9	64.2	0	0	0	0	109.1	D685 D686	T683-D685 PolarHBondContact O-N 3.17Å; T683-D686 PolarHBondContact O-N 3.03Å; T683-D686 VanDerWaalsContact O-N 3.14Å; T683-D686 VanDerWaalsContact OG1-CG 3.31Å; T683-D686 PolarHBondContact OG1-N 2.82Å; T683-D686 PolarHBondContact OG1-OD2 2.96Å
684	P	86.2	Confident	82.7	Confident	10 Å²	10	51.2 Å²	51.2	7%	0.065	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-60	-28.9	172.5	-29.7	40.9	0	0	0	113.6	W27 L638 D686 L687	W27-P684 HydrophobicContact CD2-CB 4.5Å; W27-P684 HydrophobicContact CD2-CG 3.49Å; W27-P684 VanDerWaalsContact CD2-CG 3.49Å; W27-P684 VanDerWaalsContact CE2-CD 3.45Å; W27-P684 HydrophobicContact CE3-CG 3.93Å; W27-P684 HydrophobicContact CG-CG 3.93Å; W27-P684 HydrophobicContact CH2-CG 4.08Å; W27-P684 HydrophobicContact CZ2-CG 3.6Å; W27-P684 HydrophobicContact CZ3-CG 4.22Å; L638-P684 HydrophobicContact CD1-CB 3.59Å; L638-P684 HydrophobicContact CD1-CG 3.65Å; P684-D686 PolarHBondContact O-N 3.06Å; P684-L687 HydrophobicContact CB-CD1 4.49Å; P684-L687 VanDerWaalsContact O-CB 3.27Å; P684-L687 WeakPolarHBondContact O-CB 3.05Å; P684-L687 WeakPolarHBondContact O-CG 3.17Å; P684-L687 PolarHBondContact O-N 3.1Å
685	D	83.1	Confident	82.1	Confident	69 Å²	69	59.8 Å²	59.8	37%	0.369	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-66.3	-19.4	178.4	-62.6	-28	0	0	0	112.5	G24 T683 L687	G24-D685 WeakPolarHBondContact CA-OD1 3.18Å; T683-D685 PolarHBondContact O-N 3.17Å; D685-L687 VanDerWaalsContact C-N 3.33Å
686	D	81.9	Confident	81.5	Confident	45 Å²	45	58.8 Å²	58.8	24%	0.241	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-82.8	-7.3	174.6	-66.8	-46	0	0	0	113.7	T683 P684 K691	T683-D686 PolarHBondContact O-N 3.03Å; T683-D686 VanDerWaalsContact O-N 3.14Å; T683-D686 VanDerWaalsContact OG1-CG 3.31Å; T683-D686 PolarHBondContact OG1-N 2.82Å; T683-D686 PolarHBondContact OG1-OD2 2.96Å; P684-D686 PolarHBondContact O-N 3.06Å; D686-K691 IonicContact OD1-NZ 2.69Å; D686-K691 PolarHBondContact OD1-NZ 2.58Å
687	L	82.1	Confident	81	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	34%	0.337	C	S	.	.	S	Bend	trans	-68.1	141.8	177.9	-67.9	169.5	0	0	0	110.7	V633 L638 A681 P684 D685 S689 V690 K691 Y699	V633-L687 HydrophobicContact CG1-CD2 4Å; V633-L687 HydrophobicContact CG2-CD2 4.23Å; L638-L687 HydrophobicContact CD1-CD1 4.3Å; L638-L687 HydrophobicContact CG-CD1 3.93Å; A681-L687 HydrophobicContact CB-CD2 3.89Å; A681-L687 HydrophobicContact CB-CG 4.42Å; P684-L687 HydrophobicContact CB-CD1 4.49Å; P684-L687 VanDerWaalsContact O-CB 3.27Å; P684-L687 WeakPolarHBondContact O-CB 3.05Å; P684-L687 WeakPolarHBondContact O-CG 3.17Å; P684-L687 PolarHBondContact O-N 3.1Å; D685-L687 VanDerWaalsContact C-N 3.33Å; L687-S689 PolarHBondContact O-N 2.88Å; L687-S689 VanDerWaalsContact O-N 3.08Å; L687-V690 PolarHBondContact O-N 3.17Å; L687-K691 PolarHBondContact O-N 3.12Å; L687-Y699 HydrophobicContact CD2-CD2 3.93Å; L687-Y699 HydrophobicContact CD2-CG 4.07Å
688	P	72.2	Confident	80.8	Confident	20 Å²	20	59.4 Å²	59.4	13%	0.13	35%	0.348	C	S	.	.	H	α-helix	trans	-58	-27.6	-177.8	-24.8	31.6	0	0	0	114.2	N636 V690 G692 C696 Y699	N636-P688 HydrophobicContact CB-CG 4.43Å; P688-V690 PolarHBondContact O-N 2.89Å; P688-G692 WeakPolarHBondContact CA-O 3.26Å; P688-G692 WeakPolarHBondContact O-CA 3.29Å; P688-G692 PolarHBondContact O-N 3.32Å; P688-G692 VanDerWaalsContact O-N 3.11Å; P688-C696 WeakPolarHBondContact CG-O 3.29Å; P688-Y699 HydrophobicContact CG-CD2 4.27Å; P688-Y699 HydrophobicContact CG-CE2 4.27Å
689	S	68.2	Low	80.7	Confident	64 Å²	64	59.1 Å²	59.1	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-27.4	175.8	58.4	0	0	0	0	113.1	N636 L687	N636-S689 PolarHBondContact O-OG 2.88Å; N636-S689 VanDerWaalsContact O-OG 3.12Å; L687-S689 PolarHBondContact O-N 2.88Å; L687-S689 VanDerWaalsContact O-N 3.08Å
690	V	66	Low	80.6	Confident	93 Å²	93	57.8 Å²	57.8	56%	0.564	34%	0.343	S	S	*	.	H	α-helix	trans	-102.3	-51	-176.6	-174.1	0	0	0	0	110.8	L687 P688	L687-V690 PolarHBondContact O-N 3.17Å; P688-V690 PolarHBondContact O-N 2.89Å
691	K	67.5	Low	80.7	Confident	141 Å²	141	56.5 Å²	56.5	61%	0.613	33%	0.334	S	S	*	.	H	α-helix	trans	-85.3	-13	-172.1	-147	169	-170.9	168.9	0	114.2	D686 L687	D686-K691 IonicContact OD1-NZ 2.69Å; D686-K691 PolarHBondContact OD1-NZ 2.58Å; L687-K691 PolarHBondContact O-N 3.12Å
692	G	67.7	Low	80.7	Confident	37 Å²	37	56.4 Å²	56.4	38%	0.381	33%	0.334	S	S	.	.	S	Bend	trans	80.3	-154.3	-166.2	0	0	0	0	0	112	P688 G694	P688-G692 WeakPolarHBondContact CA-O 3.26Å; P688-G692 WeakPolarHBondContact O-CA 3.29Å; P688-G692 PolarHBondContact O-N 3.32Å; P688-G692 VanDerWaalsContact O-N 3.11Å; G692-G694 PolarHBondContact O-N 2.84Å
693	A	64.4	Low	80.9	Confident	107 Å²	107	53 Å²	53	88%	0.884	32%	0.317	S	S	*	.	S	Bend	trans	-60.9	97.9	-177.1	0	0	0	0	0	111.9
694	G	71.5	Confident	81.2	Confident	36 Å²	36	51 Å²	51	37%	0.371	31%	0.305	S	S	.	.			trans	-84.1	-172.2	172.3	0	0	0	0	0	112	G692 C696	G692-G694 PolarHBondContact O-N 2.84Å; G694-C696 PolarHBondContact O-N 2.84Å
695	Y	81.7	Confident	81.6	Confident	181 Å²	181	51.6 Å²	51.6	71%	0.71	31%	0.306	S	S	*	.	S	Bend	trans	-73.8	-18.2	174.4	76.9	-89.2	0	0	0	113.1	M679 Y699	M679-Y695 HydrophobicContact CE-CE2 3.41Å; M679-Y695 VanDerWaalsContact CE-CE2 3.41Å; M679-Y695 WeakPolarHBondContact CE-OH 3.4Å; Y695-Y699 WeakPolarHBondContact CE1-OH 3.23Å; Y695-Y699 PolarHBondContact OH-OH 3.15Å
696	C	82.7	Confident	82.1	Confident	17 Å²	17	49 Å²	49	12%	0.115	29%	0.293	C	S	.	.			trans	-143.5	133.3	-175.4	-179	0	0	0	0	110	M679 P688 G694 S698 Y699	M679-C696 HydrophobicContact CE-CB 4.08Å; P688-C696 WeakPolarHBondContact CG-O 3.29Å; G694-C696 PolarHBondContact O-N 2.84Å; C696-S698 PolarHBondContact SG-N 3.35Å; C696-S698 PolarHBondContact SG-OG 2.89Å; C696-Y699 HydrophobicContact CB-CE2 4.2Å; C696-Y699 WeakPolarHBondContact O-CE2 3.34Å
697	D	82.6	Confident	82.7	Confident	101 Å²	101	47.1 Å²	47.1	54%	0.54	28%	0.284	S	S	.	.	S	Bend	trans	-110.9	10.6	179.3	-62.8	-32.6	0	0	0	112.7	N636	N636-D697 PolarHBondContact ND2-O 3.24Å; N636-D697 PolarHBondContact OD1-O 3.03Å
698	S	87.4	Confident	83.3	Confident	85 Å²	85	47.1 Å²	47.1	59%	0.594	28%	0.284	S	S	*	.			trans	-129.6	46	-171.9	65.6	0	0	0	0	111.8	C696	C696-S698 PolarHBondContact SG-N 3.35Å; C696-S698 PolarHBondContact SG-OG 2.89Å
699	Y	91.6	Very high	84.5	Confident	15 Å²	15	46.7 Å²	46.7	6%	0.059	28%	0.28	C	S	.	.			trans	-67.5	139.4	172.4	-67.1	-76.3	0	0	0	110.6	M679 A681 L687 P688 Y695 C696	M679-Y699 HydrophobicContact CE-CE1 4.15Å; M679-Y699 HydrophobicContact CG-CD1 3.88Å; M679-Y699 HydrophobicContact CG-CE1 4.27Å; A681-Y699 HydrophobicContact CB-CD1 3.7Å; A681-Y699 HydrophobicContact CB-CE1 3.9Å; A681-Y699 HydrophobicContact CB-CG 4.09Å; L687-Y699 HydrophobicContact CD2-CD2 3.93Å; L687-Y699 HydrophobicContact CD2-CG 4.07Å; P688-Y699 HydrophobicContact CG-CD2 4.27Å; P688-Y699 HydrophobicContact CG-CE2 4.27Å; Y695-Y699 WeakPolarHBondContact CE1-OH 3.23Å; Y695-Y699 PolarHBondContact OH-OH 3.15Å; C696-Y699 HydrophobicContact CB-CE2 4.2Å; C696-Y699 WeakPolarHBondContact O-CE2 3.34Å
700	S	92.3	Very high	85.8	Confident	33 Å²	33	44.5 Å²	44.5	23%	0.231	26%	0.263	C	S	.	.			trans	-109.3	-30.5	179.2	61.9	0	0	0	0	112.6	V633 I678 M679	V633-S700 PolarHBondContact N-O 2.86Å; I678-S700 WeakPolarHBondContact CB-OG 3.29Å; M679-S700 PolarHBondContact N-OG 3.46Å; M679-S700 PolarHBondContact O-N 3.27Å; M679-S700 PolarHBondContact O-OG 3.22Å
701	H	94.7	Very high	87.2	Confident	6 Å²	6	40.1 Å²	40.1	3%	0.028	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	164.8	-176.2	-65.7	84.1	0	0	0	110.5	L630 L631 E668 M679 V680 A681	L630-H701 HydrophobicContact CB-CB 4.16Å; L630-H701 HydrophobicContact CD1-CB 4.13Å; L631-H701 CarbonylContact O-C 3.53Å; L631-H701 WeakPolarHBondContact O-CA 3.38Å; E668-H701 IonicContact OE2-NE2 2.73Å; M679-H701 PolarHBondContact O-N 2.98Å; M679-H701 VanDerWaalsContact O-N 3.12Å; V680-H701 CarbonylContact C-O 3.55Å; V680-H701 WeakPolarHBondContact CA-O 3.26Å; V680-H701 HydrophobicContact CG2-CB 4.28Å; A681-H701 PolarHBondContact N-O 3.01Å
702	C	93.4	Very high	88.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.5	172.7	-172.2	0	0	0	0	110.4	L631 V633 L638 A681	L631-C702 HydrophobicContact CB-CB 4.35Å; L631-C702 PolarHBondContact N-O 3.21Å; L631-C702 PolarHBondContact O-N 3.25Å; V633-C702 HydrophobicContact CG2-CB 3.91Å; L638-C702 HydrophobicContact CD2-CB 3.92Å; A681-C702 HydrophobicContact CB-CB 4.28Å; A681-C702 WeakPolarHBondContact O-CA 3.26Å; A681-C702 PolarHBondContact O-SG 3.4Å
703	E	94.3	Very high	89.8	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.037	19%	0.19	C	C	.	.			trans	-66.9	138.6	173.1	-172.2	63.9	-113.8	0	0	110.2	R628 A681	R628-E703 IonicContact CZ-OE2 3.1Å; R628-E703 IonicContact NH1-OE2 3.33Å; R628-E703 PolarHBondContact NH1-OE2 3.49Å; A681-E703 PolarHBondContact O-N 2.86Å
704	I	93.5	Very high	91.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-70	-50.5	179	-60.5	167.8	0	0	0	109.5	W27 C31 I34 I35 M534 P629 L631 W658	W27-I704 VanDerWaalsContact CZ2-O 3.3Å; W27-I704 WeakPolarHBondContact CZ2-O 3.32Å; C31-I704 HydrophobicContact CB-CG2 4.43Å; C31-I704 WeakPolarHBondContact CB-O 3.27Å; I34-I704 HydrophobicContact CG2-CG2 4.44Å; I35-I704 HydrophobicContact CD1-CG2 3.97Å; I35-I704 HydrophobicContact CG1-CG2 3.69Å; M534-I704 HydrophobicContact CE-CD1 3.7Å; M534-I704 HydrophobicContact SD-CD1 4.11Å; P629-I704 HydrophobicContact CB-CD1 4.33Å; P629-I704 HydrophobicContact CG-CD1 4.28Å; L631-I704 HydrophobicContact CD1-CB 4.49Å; L631-I704 HydrophobicContact CD1-CG1 3.97Å; L631-I704 HydrophobicContact CG-CG1 3.89Å; W658-I704 HydrophobicContact CH2-CD1 4.27Å
705	H	94.2	Very high	92.5	Very high	22 Å²	22	25.2 Å²	25.2	10%	0.102	13%	0.132	C	C	.	.			trans	-157.9	131.3	170.2	-169.5	-79.2	0	0	0	110.4	W32 I35 S707 M708	W32-H705 AromaticContact CZ2-CD2 3.89Å; W32-H705 AromaticContact CZ2-CE1 3.79Å; W32-H705 AromaticContact CZ2-CG 3.95Å; W32-H705 AromaticContact CZ2-ND1 3.87Å; W32-H705 AromaticContact CZ2-NE2 3.77Å; W32-H705 AromaticContact NE1-CD2 3.93Å; I35-H705 HydrophobicContact CD1-CB 3.83Å; H705-S707 PolarHBondContact CE1-OG 2.96Å; H705-S707 WeakPolarHBondContact ND1-CB 3.4Å; H705-S707 PolarHBondContact ND1-N 2.95Å; H705-S707 PolarHBondContact ND1-OG 3.01Å; H705-S707 PolarHBondContact O-N 2.76Å; H705-M708 HydrophobicContact CB-CG 4.43Å; H705-M708 WeakPolarHBondContact O-CB 3.39Å; H705-M708 WeakPolarHBondContact O-CG 3.39Å; H705-M708 PolarHBondContact O-N 3.39Å
706	P	94.3	Very high	93.2	Very high	15 Å²	15	16.7 Å²	16.7	10%	0.097	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-57.7	-26.8	-176.7	-27.9	35.6	0	0	0	115.2	M682 M708 I709 F1009	M682-P706 HydrophobicContact CE-CB 4.29Å; M682-P706 HydrophobicContact CE-CG 4.23Å; P706-M708 PolarHBondContact O-N 2.78Å; P706-M708 VanDerWaalsContact O-N 3.16Å; P706-I709 VanDerWaalsContact O-CG1 3.3Å; P706-I709 WeakPolarHBondContact O-CG1 3.46Å; P706-I709 WeakPolarHBondContact O-CG2 3.4Å; P706-I709 PolarHBondContact O-N 2.8Å; P706-F1009 HydrophobicContact CB-CB 4.38Å; P706-F1009 HydrophobicContact CB-CD2 3.68Å; P706-F1009 HydrophobicContact CB-CE2 4.23Å; P706-F1009 HydrophobicContact CB-CG 4.18Å
707	S	94.6	Very high	93.9	Very high	5 Å²	5	15.9 Å²	15.9	4%	0.035	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-61.5	-19.7	177	71.4	0	0	0	0	114.3	W32 H705 I709 L710	W32-S707 WeakPolarHBondContact CH2-OG 3.49Å; H705-S707 PolarHBondContact CE1-OG 2.96Å; H705-S707 WeakPolarHBondContact ND1-CB 3.4Å; H705-S707 PolarHBondContact ND1-N 2.95Å; H705-S707 PolarHBondContact ND1-OG 3.01Å; H705-S707 PolarHBondContact O-N 2.76Å; S707-I709 PolarHBondContact O-N 2.96Å; S707-L710 WeakPolarHBondContact O-CB 2.91Å; S707-L710 WeakPolarHBondContact O-CG 3.4Å; S707-L710 PolarHBondContact O-N 2.97Å; S707-L710 VanDerWaalsContact O-N 3.15Å
708	M	95.4	Very high	94.5	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.02	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-70.5	-11.1	-177.6	-63.7	-63.2	116.1	0	0	113.7	W32 I35 F39 L533 M534 H705 P706 L710	W32-M708 HydrophobicContact CH2-CE 3.64Å; W32-M708 HydrophobicContact CZ3-CE 3.67Å; I35-M708 HydrophobicContact CD1-CE 4.03Å; I35-M708 HydrophobicContact CD1-CG 4.17Å; I35-M708 HydrophobicContact CD1-SD 4.18Å; I35-M708 HydrophobicContact CG2-CE 4.34Å; I35-M708 HydrophobicContact CG2-SD 4.03Å; F39-M708 HydrophobicContact CE2-SD 4.33Å; L533-M708 HydrophobicContact CB-SD 4.17Å; L533-M708 HydrophobicContact CD1-CE 4.17Å; L533-M708 HydrophobicContact CD1-SD 4.19Å; L533-M708 PolarHBondContact N-O 2.77Å; M534-M708 HydrophobicContact CB-CB 4.45Å; M534-M708 HydrophobicContact CG-CB 3.97Å; M534-M708 HydrophobicContact CG-CG 3.86Å; M534-M708 HydrophobicContact CG-SD 3.68Å; M534-M708 HydrophobicContact SD-CB 4.01Å; M534-M708 HydrophobicContact SD-CG 3.56Å; M534-M708 VanDerWaalsContact SD-CG 3.56Å; M534-M708 HydrophobicContact SD-SD 3.91Å; H705-M708 HydrophobicContact CB-CG 4.43Å; H705-M708 WeakPolarHBondContact O-CB 3.39Å; H705-M708 WeakPolarHBondContact O-CG 3.39Å; H705-M708 PolarHBondContact O-N 3.39Å; P706-M708 PolarHBondContact O-N 2.78Å; P706-M708 VanDerWaalsContact O-N 3.16Å; M708-L710 PolarHBondContact O-N 3.33Å
709	I	96.3	Very high	94.9	Very high	11 Å²	11	7.5 Å²	7.5	6%	0.056	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-66.2	-19.4	170.8	73.2	-177	0	0	0	112.9	W511 P516 P706 S707 F1009	W511-I709 HydrophobicContact CD2-CG2 4.17Å; W511-I709 HydrophobicContact CE3-CD1 4.3Å; W511-I709 HydrophobicContact CE3-CG2 4.4Å; W511-I709 HydrophobicContact CH2-CD1 3.66Å; W511-I709 HydrophobicContact CH2-CG2 4.11Å; W511-I709 HydrophobicContact CZ2-CD1 4.43Å; W511-I709 HydrophobicContact CZ2-CG2 3.84Å; W511-I709 HydrophobicContact CZ3-CD1 3.58Å; W511-I709 HydrophobicContact CZ3-CG2 4.38Å; P516-I709 VanDerWaalsContact CD-O 3.32Å; P516-I709 WeakPolarHBondContact CD-O 3.34Å; P706-I709 VanDerWaalsContact O-CG1 3.3Å; P706-I709 WeakPolarHBondContact O-CG1 3.46Å; P706-I709 WeakPolarHBondContact O-CG2 3.4Å; P706-I709 PolarHBondContact O-N 2.8Å; S707-I709 PolarHBondContact O-N 2.96Å; I709-F1009 HydrophobicContact CD1-CE2 4.4Å
710	L	96.8	Very high	95.1	Very high	18 Å²	18	7.2 Å²	7.2	9%	0.094	4%	0.042	C	C	.	.	S	Bend	trans	-77.5	156.4	-178.2	-60.1	-177.8	0	0	0	111.2	A532 L533 S707 M708 A714 P720 P1008	A532-L710 CarbonylContact C-O 3.58Å; A532-L710 WeakPolarHBondContact CA-O 3.44Å; L533-L710 WeakPolarHBondContact CG-O 3.17Å; L533-L710 PolarHBondContact N-O 3.32Å; S707-L710 WeakPolarHBondContact O-CB 2.91Å; S707-L710 WeakPolarHBondContact O-CG 3.4Å; S707-L710 PolarHBondContact O-N 2.97Å; S707-L710 VanDerWaalsContact O-N 3.15Å; M708-L710 PolarHBondContact O-N 3.33Å; L710-A714 HydrophobicContact CB-CB 4.08Å; L710-A714 HydrophobicContact CD2-CB 4.2Å; L710-P720 HydrophobicContact CD1-CG 4.02Å; L710-P1008 HydrophobicContact CD1-CG 4.02Å
711	G	94.7	Very high	95.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.047	C	C	.	.			trans	-90.1	-175.2	172.1	0	0	0	0	0	112	C515 A714 S715	C515-G711 VanDerWaalsContact CB-N 3.34Å; C515-G711 PolarHBondContact SG-N 3.1Å; G711-A714 PolarHBondContact O-N 3.45Å; G711-S715 VanDerWaalsContact O-CB 3.32Å; G711-S715 WeakPolarHBondContact O-CB 3.47Å; G711-S715 PolarHBondContact O-N 3.15Å; G711-S715 PolarHBondContact O-OG 3.24Å
712	V	95.1	Very high	95.3	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.012	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-50	-178.8	174.9	0	0	0	0	111.7	L484 E518 L533 L773	L484-V712 HydrophobicContact CB-CG1 3.96Å; L484-V712 HydrophobicContact CB-CG2 4.42Å; L484-V712 HydrophobicContact CD1-CG1 4.41Å; E518-V712 PolarHBondContact OE2-N 3.33Å; L533-V712 HydrophobicContact CD2-CG2 4.45Å; V712-L773 HydrophobicContact CB-CD2 4.37Å; V712-L773 HydrophobicContact CG1-CD1 4.23Å; V712-L773 HydrophobicContact CG1-CD2 3.9Å; V712-L773 HydrophobicContact CG2-CD2 4.13Å; V712-L773 WeakPolarHBondContact O-CD1 3.49Å
713	C	95.2	Very high	95.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-16.1	-176.7	-65.5	0	0	0	0	113.5	E518 I716 K736	E518-C713 HydrophobicContact CG-CB 4.29Å; E518-C713 PolarHBondContact OE2-N 3.18Å; C713-I716 VanDerWaalsContact O-CG1 3.29Å; C713-I716 WeakPolarHBondContact O-CG1 3.46Å; C713-K736 VanDerWaalsContact SG-CE 3.55Å
714	A	96.3	Very high	95.4	Very high	2 Å²	2	16.9 Å²	16.9	2%	0.017	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-30.1	172.9	0	0	0	0	0	111.5	A517 L710 G711 I716 I717	A517-A714 HydrophobicContact CB-CB 4.33Å; L710-A714 HydrophobicContact CB-CB 4.08Å; L710-A714 HydrophobicContact CD2-CB 4.2Å; G711-A714 PolarHBondContact O-N 3.45Å; A714-I716 VanDerWaalsContact C-N 3.26Å; A714-I716 PolarHBondContact O-N 3.27Å; A714-I717 WeakPolarHBondContact O-CB 3.44Å; A714-I717 WeakPolarHBondContact O-CG1 3.37Å; A714-I717 PolarHBondContact O-N 2.92Å
715	S	95.9	Very high	95.5	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.028	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.2	-179.2	-59.8	0	0	0	0	114.1	L533 G711 I717 T767	L533-S715 VanDerWaalsContact CD1-OG 3.27Å; L533-S715 WeakPolarHBondContact CD1-OG 3.41Å; G711-S715 VanDerWaalsContact O-CB 3.32Å; G711-S715 WeakPolarHBondContact O-CB 3.47Å; G711-S715 PolarHBondContact O-N 3.15Å; G711-S715 PolarHBondContact O-OG 3.24Å; S715-I717 VanDerWaalsContact C-N 3.26Å; S715-I717 PolarHBondContact O-N 3.44Å; S715-T767 WeakPolarHBondContact O-CG2 3.2Å; S715-T767 PolarHBondContact O-OG1 3.17Å
716	I	95.5	Very high	95.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.9	175.1	70.1	179.3	0	0	0	113.1	C713 A714 M770 L773 F775 R945	C713-I716 VanDerWaalsContact O-CG1 3.29Å; C713-I716 WeakPolarHBondContact O-CG1 3.46Å; A714-I716 VanDerWaalsContact C-N 3.26Å; A714-I716 PolarHBondContact O-N 3.27Å; I716-M770 VanDerWaalsContact C-CE 3.42Å; I716-M770 VanDerWaalsContact CA-CE 3.43Å; I716-M770 HydrophobicContact CB-CE 4.15Å; I716-M770 WeakPolarHBondContact O-CE 3.35Å; I716-L773 HydrophobicContact CG2-CD1 4.19Å; I716-F775 HydrophobicContact CG2-CD2 4.13Å; I716-F775 HydrophobicContact CG2-CE2 4.33Å; I716-F775 HydrophobicContact CG2-CG 4.45Å; I716-R945 WeakPolarHBondContact O-CD 3.42Å; I716-R945 PolarHBondContact O-NH1 3.48Å
717	I	96.8	Very high	95.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.125	C	C	.	.	S	Bend	trans	-83.4	122.6	-178.5	-54.1	-179.3	0	0	0	107.6	A714 S715 P720 N728 Q731 R945	A714-I717 WeakPolarHBondContact O-CB 3.44Å; A714-I717 WeakPolarHBondContact O-CG1 3.37Å; A714-I717 PolarHBondContact O-N 2.92Å; S715-I717 VanDerWaalsContact C-N 3.26Å; S715-I717 PolarHBondContact O-N 3.44Å; I717-P720 HydrophobicContact CB-CB 4.21Å; I717-P720 HydrophobicContact CG2-CB 3.95Å; I717-P720 WeakPolarHBondContact O-CD 3.48Å; I717-N728 HydrophobicContact CD1-CB 4.08Å; I717-Q731 HydrophobicContact CD1-CB 3.69Å; I717-Q731 HydrophobicContact CD1-CG 3.8Å; I717-Q731 HydrophobicContact CG1-CB 4.23Å; I717-Q731 HydrophobicContact CG1-CG 3.76Å; I717-R945 WeakPolarHBondContact CG2-O 3.22Å
718	P	96.2	Very high	95.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-74.5	141.8	172.3	32.6	-33.1	0	0	0	109.2	P720 V765 R945 H946 E990 A1006	P718-P720 VanDerWaalsContact C-CD 3.5Å; P718-V765 HydrophobicContact CB-CG1 4.11Å; P718-R945 HydrophobicContact CG-CB 4.42Å; P718-H946 WeakPolarHBondContact CG-NE2 3.38Å; P718-H946 PolarHBondContact O-CE1 3.01Å; P718-E990 HydrophobicContact CG-CB 4.24Å; P718-E990 HydrophobicContact CG-CG 4.04Å; P718-A1006 HydrophobicContact CB-CB 3.52Å
719	F	95.9	Very high	95.8	Very high	9 Å²	9	24.6 Å²	24.6	4%	0.039	13%	0.133	C	C	.	.	S	Bend	trans	46	52.6	177.4	-54.3	-67.3	0	0	0	114.2	D721 H722 N723 V765 I989 Q993 A1006 V1013	F719-D721 WeakPolarHBondContact CA-OD1 3.35Å; F719-D721 PolarHBondContact O-N 3.44Å; F719-H722 HydrophobicContact CB-CB 4.33Å; F719-H722 PolarHBondContact O-N 2.91Å; F719-N723 PolarHBondContact O-ND2 2.94Å; F719-V765 HydrophobicContact CE2-CG1 4.15Å; F719-I989 HydrophobicContact CD1-CG2 4.48Å; F719-I989 HydrophobicContact CD2-CB 4.1Å; F719-I989 HydrophobicContact CD2-CG2 3.65Å; F719-I989 HydrophobicContact CE1-CG2 4.36Å; F719-I989 HydrophobicContact CE2-CB 4.37Å; F719-I989 HydrophobicContact CE2-CG2 3.52Å; F719-I989 HydrophobicContact CG-CG2 4.15Å; F719-I989 HydrophobicContact CZ-CG2 3.9Å; F719-Q993 HydrophobicContact CE2-CB 4.43Å; F719-A1006 HydrophobicContact CD1-CB 4.32Å; F719-A1006 HydrophobicContact CD2-CB 3.74Å; F719-A1006 HydrophobicContact CE1-CB 4Å; F719-A1006 HydrophobicContact CE2-CB 3.36Å; F719-A1006 HydrophobicContact CG-CB 4.2Å; F719-A1006 HydrophobicContact CZ-CB 3.51Å; F719-A1006 PolarHBondContact N-O 2.89Å; F719-A1006 VanDerWaalsContact N-O 3.13Å; F719-V1013 HydrophobicContact CE1-CG1 4.42Å; F719-V1013 HydrophobicContact CZ-CG1 4.36Å
720	P	95.9	Very high	95.7	Very high	10 Å²	10	28.2 Å²	28.2	7%	0.065	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-65.5	-27.1	-176.7	26.9	-34.2	0	0	0	113.2	L710 I717 P718 H722 N723 N728 P1008	L710-P720 HydrophobicContact CD1-CG 4.02Å; I717-P720 HydrophobicContact CB-CB 4.21Å; I717-P720 HydrophobicContact CG2-CB 3.95Å; I717-P720 WeakPolarHBondContact O-CD 3.48Å; P718-P720 VanDerWaalsContact C-CD 3.5Å; P720-H722 VanDerWaalsContact C-N 3.29Å; P720-H722 PolarHBondContact O-N 3.19Å; P720-N723 PolarHBondContact O-N 3.06Å; P720-N728 PolarHBondContact O-ND2 2.99Å; P720-P1008 HydrophobicContact CG-CB 3.74Å; P720-P1008 HydrophobicContact CG-CG 3.98Å
721	D	95.3	Very high	95.7	Very high	65 Å²	65	27.3 Å²	27.3	35%	0.348	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-64.1	-25.8	173	49.9	-9.3	0	0	0	113.8	F719 F1009	F719-D721 WeakPolarHBondContact CA-OD1 3.35Å; F719-D721 PolarHBondContact O-N 3.44Å; D721-F1009 HydrophobicContact CB-CD1 4.38Å; D721-F1009 HydrophobicContact CB-CE1 3.99Å; D721-F1009 PolarHBondContact OD2-N 3.16Å
722	H	95.2	Very high	95.7	Very high	90 Å²	90	27.4 Å²	27.4	42%	0.417	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-88.3	3.6	175.2	-70.1	-79.7	0	0	0	114.4	F719 P720 I989	F719-H722 HydrophobicContact CB-CB 4.33Å; F719-H722 PolarHBondContact O-N 2.91Å; P720-H722 VanDerWaalsContact C-N 3.29Å; P720-H722 PolarHBondContact O-N 3.19Å; H722-I989 HydrophobicContact CB-CD1 4.06Å
723	N	94.9	Very high	95.7	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.08	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-107.3	151	178.1	-60.7	-49.4	0	0	0	111.3	F719 P720 S725 N728 H946 G986	F719-N723 PolarHBondContact O-ND2 2.94Å; P720-N723 PolarHBondContact O-N 3.06Å; N723-S725 PolarHBondContact O-N 2.88Å; N723-N728 WeakPolarHBondContact CB-OD1 3.47Å; N723-N728 PolarHBondContact ND2-OD1 2.86Å; N723-H946 PolarHBondContact ND2-ND1 2.86Å; N723-H946 PolarHBondContact OD1-ND1 3.03Å; N723-G986 WeakPolarHBondContact OD1-CA 3.27Å; N723-G986 PolarHBondContact OD1-N 3.32Å; N723-G986 VanDerWaalsContact OD1-N 3.15Å
724	Q	96.1	Very high	95.6	Very high	79 Å²	79	28.6 Å²	28.6	37%	0.369	15%	0.151	S	C	.	.			trans	-61	127.3	165.2	-158.2	-167.3	18.9	0	0	110.3	P726 R727 M983	Q724-P726 VanDerWaalsContact C-CD 3.4Å; Q724-P726 WeakPolarHBondContact O-CD 3.39Å; Q724-P726 VanDerWaalsContact O-N 3.09Å; Q724-R727 HydrophobicContact CB-CG 4.36Å; Q724-R727 VanDerWaalsContact O-CB 3.25Å; Q724-R727 WeakPolarHBondContact O-CB 3.49Å; Q724-R727 PolarHBondContact O-N 2.88Å; Q724-M983 HydrophobicContact CB-CB 4.49Å; Q724-M983 HydrophobicContact CB-CE 4.43Å; Q724-M983 HydrophobicContact CG-CE 3.96Å
725	S	94.8	Very high	95.5	Very high	77 Å²	77	28.6 Å²	28.6	54%	0.538	15%	0.152	S	C	.	.	H	α-helix	trans	-45.2	-44.2	-172.7	175.4	0	0	0	0	116.3	N723 R727 N728 T729	N723-S725 PolarHBondContact O-N 2.88Å; S725-R727 PolarHBondContact O-N 2.97Å; S725-R727 VanDerWaalsContact O-N 3.11Å; S725-N728 WeakPolarHBondContact O-CB 3.22Å; S725-N728 PolarHBondContact O-N 3.29Å; S725-T729 PolarHBondContact O-N 3.04Å
726	P	95.4	Very high	95.4	Very high	55 Å²	55	29.7 Å²	29.7	36%	0.357	16%	0.156	S	C	.	.	H	α-helix	trans	-58.7	-28.6	178.3	-24.7	35.6	0	0	0	114	Q724 N728 T729 Y730	Q724-P726 VanDerWaalsContact C-CD 3.4Å; Q724-P726 WeakPolarHBondContact O-CD 3.39Å; Q724-P726 VanDerWaalsContact O-N 3.09Å; P726-N728 VanDerWaalsContact C-N 3.34Å; P726-T729 WeakPolarHBondContact O-CB 3.45Å; P726-T729 PolarHBondContact O-N 3.49Å; P726-Y730 HydrophobicContact CB-CE2 4.36Å; P726-Y730 VanDerWaalsContact O-CD2 3.3Å; P726-Y730 WeakPolarHBondContact O-CD2 3.34Å; P726-Y730 PolarHBondContact O-N 3.24Å
727	R	95.8	Very high	95.3	Very high	37 Å²	37	32.2 Å²	32.2	14%	0.14	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-36.7	177.5	-61	-70.1	165.8	-162.6	-7.3	111.7	Q724 S725 T729 Y730 Q731 R982 T984	Q724-R727 HydrophobicContact CB-CG 4.36Å; Q724-R727 VanDerWaalsContact O-CB 3.25Å; Q724-R727 WeakPolarHBondContact O-CB 3.49Å; Q724-R727 PolarHBondContact O-N 2.88Å; S725-R727 PolarHBondContact O-N 2.97Å; S725-R727 VanDerWaalsContact O-N 3.11Å; R727-T729 VanDerWaalsContact C-N 3.32Å; R727-Y730 PolarHBondContact O-N 3.41Å; R727-Q731 PolarHBondContact O-N 3.36Å; R727-R982 VanDerWaalsContact CZ-CD 3.5Å; R727-R982 VanDerWaalsContact NH2-CG 3.32Å; R727-T984 HydrophobicContact CB-CG2 4.12Å; R727-T984 HydrophobicContact CG-CG2 3.68Å
728	N	96.6	Very high	95.2	Very high	16 Å²	16	32.2 Å²	32.2	9%	0.086	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-38.2	174.6	-62.2	-24.2	0	0	0	110.9	A517 I717 P720 N723 S725 P726 Q731 S732	A517-N728 HydrophobicContact CB-CB 3.98Å; I717-N728 HydrophobicContact CD1-CB 4.08Å; P720-N728 PolarHBondContact O-ND2 2.99Å; N723-N728 WeakPolarHBondContact CB-OD1 3.47Å; N723-N728 PolarHBondContact ND2-OD1 2.86Å; S725-N728 WeakPolarHBondContact O-CB 3.22Å; S725-N728 PolarHBondContact O-N 3.29Å; P726-N728 VanDerWaalsContact C-N 3.34Å; N728-Q731 PolarHBondContact O-N 2.99Å; N728-S732 WeakPolarHBondContact O-CB 3.49Å; N728-S732 PolarHBondContact O-N 3.41Å; N728-S732 PolarHBondContact O-OG 2.95Å
729	T	96.1	Very high	95.1	Very high	23 Å²	23	32.2 Å²	32.2	14%	0.141	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-46.1	173.9	-58.6	0	0	0	0	112.1	A517 T519 S725 P726 R727 Q731 S732 A733	A517-T729 VanDerWaalsContact O-CA 3.25Å; A517-T729 WeakPolarHBondContact O-CA 3.43Å; A517-T729 WeakPolarHBondContact O-CB 3.31Å; A517-T729 WeakPolarHBondContact O-CG2 3.48Å; A517-T729 PolarHBondContact O-OG1 3.26Å; T519-T729 HydrophobicContact CG2-CG2 3.7Å; S725-T729 PolarHBondContact O-N 3.04Å; P726-T729 WeakPolarHBondContact O-CB 3.45Å; P726-T729 PolarHBondContact O-N 3.49Å; R727-T729 VanDerWaalsContact C-N 3.32Å; T729-Q731 VanDerWaalsContact C-N 3.33Å; T729-Q731 PolarHBondContact O-N 3.38Å; T729-S732 WeakPolarHBondContact O-CB 3.1Å; T729-S732 PolarHBondContact O-N 2.83Å; T729-A733 PolarHBondContact O-N 3.09Å; T729-A733 VanDerWaalsContact O-N 3.1Å
730	Y	95.8	Very high	95	Very high	87 Å²	87	31.8 Å²	31.8	34%	0.341	17%	0.166	S	C	.	.	H	α-helix	trans	-60.3	-44	176.3	-62.2	-26.1	0	0	0	111.6	E521 P726 R727 S732 A733 M734	E521-Y730 VanDerWaalsContact CD-CD1 3.47Å; E521-Y730 HydrophobicContact CG-CD1 3.92Å; E521-Y730 HydrophobicContact CG-CE1 4.08Å; E521-Y730 WeakPolarHBondContact OE1-CD1 3.46Å; P726-Y730 HydrophobicContact CB-CE2 4.36Å; P726-Y730 VanDerWaalsContact O-CD2 3.3Å; P726-Y730 WeakPolarHBondContact O-CD2 3.34Å; P726-Y730 PolarHBondContact O-N 3.24Å; R727-Y730 PolarHBondContact O-N 3.41Å; Y730-S732 VanDerWaalsContact C-N 3.33Å; Y730-S732 PolarHBondContact O-N 2.72Å; Y730-A733 PolarHBondContact O-N 3.5Å; Y730-M734 VanDerWaalsContact C-CE 3.43Å; Y730-M734 WeakPolarHBondContact O-CE 3.14Å; Y730-M734 WeakPolarHBondContact O-CG 3.1Å; Y730-M734 PolarHBondContact O-N 2.84Å
731	Q	96.7	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-43	175.9	-176.5	60.6	26.6	0	0	112	I717 R727 N728 T729 A733 M734 G735 S944 R945 G947	I717-Q731 HydrophobicContact CD1-CB 3.69Å; I717-Q731 HydrophobicContact CD1-CG 3.8Å; I717-Q731 HydrophobicContact CG1-CB 4.23Å; I717-Q731 HydrophobicContact CG1-CG 3.76Å; R727-Q731 PolarHBondContact O-N 3.36Å; N728-Q731 PolarHBondContact O-N 2.99Å; T729-Q731 VanDerWaalsContact C-N 3.33Å; T729-Q731 PolarHBondContact O-N 3.38Å; Q731-A733 PolarHBondContact O-N 3.27Å; Q731-M734 CarbonylContact O-C 3.57Å; Q731-M734 PolarHBondContact O-N 2.74Å; Q731-G735 PolarHBondContact O-N 2.81Å; Q731-S944 PolarHBondContact NE2-O 2.88Å; Q731-S944 PolarHBondContact OE1-O 3.15Å; Q731-R945 VanDerWaalsContact CD-C 3.5Å; Q731-R945 WeakPolarHBondContact CG-O 3.42Å; Q731-G947 VanDerWaalsContact OE1-N 3.08Å
732	S	94.9	Very high	94.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-34.4	178.9	-62.9	0	0	0	0	111.8	N728 T729 Y730 K736	N728-S732 WeakPolarHBondContact O-CB 3.49Å; N728-S732 PolarHBondContact O-N 3.41Å; N728-S732 PolarHBondContact O-OG 2.95Å; T729-S732 WeakPolarHBondContact O-CB 3.1Å; T729-S732 PolarHBondContact O-N 2.83Å; Y730-S732 VanDerWaalsContact C-N 3.33Å; Y730-S732 PolarHBondContact O-N 2.72Å; S732-K736 VanDerWaalsContact O-CE 3.26Å; S732-K736 WeakPolarHBondContact O-CE 3.17Å
733	A	94.1	Very high	94.9	Very high	18 Å²	18	26.3 Å²	26.3	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-74.6	-39.2	172.4	0	0	0	0	0	113	T729 Y730 Q731	T729-A733 PolarHBondContact O-N 3.09Å; T729-A733 VanDerWaalsContact O-N 3.1Å; Y730-A733 PolarHBondContact O-N 3.5Å; Q731-A733 PolarHBondContact O-N 3.27Å
734	M	94.4	Very high	94.9	Very high	9 Å²	9	28.7 Å²	28.7	4%	0.044	15%	0.154	C	C	.	.	H	α-helix	trans	-75.3	-33	-178.2	-74.6	-176.1	-79.8	0	0	113.9	Y730 Q731 K736 Q737 A738 A943 G947 K949	Y730-M734 VanDerWaalsContact C-CE 3.43Å; Y730-M734 WeakPolarHBondContact O-CE 3.14Å; Y730-M734 WeakPolarHBondContact O-CG 3.1Å; Y730-M734 PolarHBondContact O-N 2.84Å; Q731-M734 CarbonylContact O-C 3.57Å; Q731-M734 PolarHBondContact O-N 2.74Å; M734-K736 PolarHBondContact O-N 2.87Å; M734-Q737 CarbonylContact O-C 3.57Å; M734-Q737 WeakPolarHBondContact O-CA 3Å; M734-Q737 WeakPolarHBondContact O-CB 3.3Å; M734-Q737 PolarHBondContact O-N 3.45Å; M734-A738 PolarHBondContact O-N 3.46Å; M734-A738 VanDerWaalsContact O-N 3.11Å; M734-A943 HydrophobicContact SD-CB 4.07Å; M734-G947 VanDerWaalsContact CE-CA 3.43Å; M734-K949 HydrophobicContact SD-CB 3.71Å; M734-K949 HydrophobicContact SD-CD 4.16Å; M734-K949 HydrophobicContact SD-CG 4.36Å
735	G	92.3	Very high	94.8	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-28.1	174.9	0	0	0	0	0	112.6	Q731 Q737	Q731-G735 PolarHBondContact O-N 2.81Å; G735-Q737 PolarHBondContact O-N 3.28Å
736	K	93.7	Very high	94.8	Very high	27 Å²	27	23.7 Å²	23.7	12%	0.117	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.6	172.8	-55.8	177.2	-165.5	-166	0	113.5	L478 A482 S485 E518 C713 S732 M734	L478-K736 VanDerWaalsContact CD2-O 3.27Å; L478-K736 WeakPolarHBondContact CD2-O 3.44Å; A482-K736 HydrophobicContact CB-CB 4.24Å; S485-K736 WeakPolarHBondContact OG-CE 3.36Å; S485-K736 PolarHBondContact OG-NZ 2.85Å; E518-K736 VanDerWaalsContact OE1-CE 3.22Å; E518-K736 WeakPolarHBondContact OE1-CE 3.43Å; E518-K736 IonicContact OE1-NZ 3.98Å; E518-K736 PolarHBondContact OE1-NZ 2.86Å; C713-K736 VanDerWaalsContact SG-CE 3.55Å; S732-K736 VanDerWaalsContact O-CE 3.26Å; S732-K736 WeakPolarHBondContact O-CE 3.17Å; M734-K736 PolarHBondContact O-N 2.87Å
737	Q	93.9	Very high	94.7	Very high	55 Å²	55	25.7 Å²	25.7	26%	0.257	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-9.2	-178.6	-57.1	178.7	8.1	0	0	113.3	L478 M734 G735 L1063 K1064 H1065	L478-Q737 VanDerWaalsContact CD2-C 3.47Å; L478-Q737 VanDerWaalsContact CD2-CA 3.43Å; L478-Q737 WeakPolarHBondContact CD2-O 3.48Å; M734-Q737 CarbonylContact O-C 3.57Å; M734-Q737 WeakPolarHBondContact O-CA 3Å; M734-Q737 WeakPolarHBondContact O-CB 3.3Å; M734-Q737 PolarHBondContact O-N 3.45Å; G735-Q737 PolarHBondContact O-N 3.28Å; Q737-L1063 HydrophobicContact CB-CD2 4.35Å; Q737-L1063 WeakPolarHBondContact O-CA 3.3Å; Q737-K1064 PolarHBondContact O-N 3.46Å; Q737-H1065 PolarHBondContact OE1-CE1 3.17Å; Q737-H1065 PolarHBondContact OE1-ND1 2.96Å
738	A	95.1	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-59.1	158.2	173.5	0	0	0	0	0	110.7	L478 T479 M734 A780 Q1061 R1062	L478-A738 VanDerWaalsContact CD2-O 3.3Å; L478-A738 WeakPolarHBondContact CD2-O 3.33Å; T479-A738 HydrophobicContact CG2-CB 4.36Å; T479-A738 WeakPolarHBondContact CG2-O 3.47Å; M734-A738 PolarHBondContact O-N 3.46Å; M734-A738 VanDerWaalsContact O-N 3.11Å; A738-A780 HydrophobicContact CB-CB 4.01Å; A738-Q1061 HydrophobicContact CB-CB 4.01Å; A738-Q1061 HydrophobicContact CB-CG 4.26Å; A738-R1062 CarbonylContact C-O 3.44Å
739	M	94.1	Very high	94.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.			trans	-108.4	146.4	173.5	-63.3	-176.5	-67.8	0	0	109.2	H755 L757 A780 R1062 L1063 K1064	M739-H755 HydrophobicContact CB-CB 4.22Å; M739-H755 HydrophobicContact CG-CB 3.74Å; M739-H755 HydrophobicContact SD-CB 3.52Å; M739-H755 VanDerWaalsContact SD-CB 3.52Å; M739-L757 HydrophobicContact CB-CG 4.33Å; M739-L757 WeakPolarHBondContact O-CD1 3.48Å; M739-A780 CarbonylContact O-C 3.59Å; M739-A780 WeakPolarHBondContact O-CA 3.34Å; M739-R1062 HydrophobicContact CE-CB 3.67Å; M739-R1062 HydrophobicContact CE-CG 3.24Å; M739-R1062 PolarHBondContact N-O 3Å; M739-L1063 WeakPolarHBondContact CE-O 3.41Å; M739-K1064 HydrophobicContact CG-CB 4.43Å
740	G	93.5	Very high	94.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-174	-167.4	-177.9	0	0	0	0	0	110.5	Y742	G740-Y742 PolarHBondContact O-N 3.33Å
741	I	94.8	Very high	94.2	Very high	42 Å²	42	22.6 Å²	22.6	22%	0.215	12%	0.117	C	C	.	.			trans	-81.9	115.7	167.2	-60.1	169.4	0	0	0	106.7	T743 F746 V756 P760 L778	I741-T743 VanDerWaalsContact CG2-O 3.3Å; I741-T743 WeakPolarHBondContact CG2-O 3.36Å; I741-F746 HydrophobicContact CG2-CD1 4.43Å; I741-V756 HydrophobicContact CG1-CG1 4.09Å; I741-P760 HydrophobicContact CD1-CG 3.64Å; I741-P760 HydrophobicContact CG1-CG 3.99Å; I741-L778 HydrophobicContact CB-CD2 4.05Å; I741-L778 HydrophobicContact CG2-CD2 3.65Å
742	Y	95	Very high	93.9	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.02	15%	0.146	C	C	.	.			trans	-89.9	-22	-177.7	63.5	-85.4	0	0	0	113.1	R477 G740 F746 D751 A754 V756	R477-Y742 HydrophobicContact CB-CD2 4.08Å; R477-Y742 HydrophobicContact CB-CE2 4.46Å; G740-Y742 PolarHBondContact O-N 3.33Å; Y742-F746 HydrophobicContact CE1-CB 3.78Å; Y742-F746 HydrophobicContact CE2-CB 4.32Å; Y742-F746 WeakPolarHBondContact OH-CB 3.4Å; Y742-D751 PolarHBondContact OH-OD2 2.89Å; Y742-A754 HydrophobicContact CE1-CB 3.74Å; Y742-V756 HydrophobicContact CD1-CG2 4.3Å; Y742-V756 HydrophobicContact CE1-CG2 3.9Å
743	T	94.6	Very high	93.8	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	17%	0.169	C	C	.	.			trans	-162.8	154.9	174.5	-168.6	0	0	0	0	108.7	C182 I741 N745 F746	C182-T743 WeakPolarHBondContact CB-OG1 3.39Å; C182-T743 PolarHBondContact SG-OG1 3.4Å; C182-T743 VanDerWaalsContact SG-OG1 3.36Å; I741-T743 VanDerWaalsContact CG2-O 3.3Å; I741-T743 WeakPolarHBondContact CG2-O 3.36Å; T743-N745 VanDerWaalsContact CG2-OD1 3.26Å; T743-N745 WeakPolarHBondContact CG2-OD1 3.41Å; T743-N745 PolarHBondContact OG1-OD1 3.46Å; T743-F746 HydrophobicContact CG2-CB 4.04Å; T743-F746 WeakPolarHBondContact O-CD1 2.92Å
744	T	94.8	Very high	93.8	Very high	65 Å²	65	30.9 Å²	30.9	40%	0.399	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-34.9	-177.5	57.5	0	0	0	0	112.5	C182 F746 L778	C182-T744 PolarHBondContact SG-OG1 3.13Å; T744-F746 VanDerWaalsContact C-N 3.26Å; T744-F746 PolarHBondContact O-N 3.04Å; T744-L778 HydrophobicContact CG2-CD2 4.26Å
745	N	95.3	Very high	93.9	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.037	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	23.4	-177.4	69.9	-14.3	0	0	0	113.7	N180 T743 H747 V748 R749	N180-N745 PolarHBondContact O-ND2 2.89Å; T743-N745 VanDerWaalsContact CG2-OD1 3.26Å; T743-N745 WeakPolarHBondContact CG2-OD1 3.41Å; T743-N745 PolarHBondContact OG1-OD1 3.46Å; N745-H747 PolarHBondContact O-N 3.3Å; N745-V748 HydrophobicContact CB-CG2 3.79Å; N745-V748 WeakPolarHBondContact O-CG2 3.22Å; N745-V748 PolarHBondContact O-N 2.93Å; N745-R749 WeakPolarHBondContact O-CG 3.43Å; N745-R749 PolarHBondContact O-N 3.28Å; N745-R749 VanDerWaalsContact OD1-CD 3.29Å; N745-R749 WeakPolarHBondContact OD1-CD 3.35Å
746	F	94.7	Very high	94.1	Very high	44 Å²	44	31.5 Å²	31.5	19%	0.193	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.1	-177.5	71.5	-93.8	0	0	0	113.9	I741 Y742 T743 T744 R749 V756 Y817 R929	I741-F746 HydrophobicContact CG2-CD1 4.43Å; Y742-F746 HydrophobicContact CE1-CB 3.78Å; Y742-F746 HydrophobicContact CE2-CB 4.32Å; Y742-F746 WeakPolarHBondContact OH-CB 3.4Å; T743-F746 HydrophobicContact CG2-CB 4.04Å; T743-F746 WeakPolarHBondContact O-CD1 2.92Å; T744-F746 VanDerWaalsContact C-N 3.26Å; T744-F746 PolarHBondContact O-N 3.04Å; F746-R749 PolarHBondContact O-N 3.1Å; F746-V756 HydrophobicContact CD2-CG2 3.99Å; F746-V756 HydrophobicContact CE1-CG1 4.33Å; F746-V756 HydrophobicContact CE2-CG1 4.39Å; F746-V756 HydrophobicContact CE2-CG2 4.19Å; F746-V756 HydrophobicContact CG-CG2 4.26Å; F746-V756 HydrophobicContact CZ-CG1 4.1Å; F746-Y817 HydrophobicContact CD2-CE2 4.41Å; F746-Y817 HydrophobicContact CE2-CE2 4.29Å; F746-R929 PolarHBondContact O-NH1 3.33Å
747	H	93.3	Very high	94.2	Very high	97 Å²	97	30.4 Å²	30.4	45%	0.449	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-29.6	-177.9	63.3	-82.4	0	0	0	113.2	N745 Q913 R929	N745-H747 PolarHBondContact O-N 3.3Å; H747-Q913 PolarHBondContact O-OE1 3.21Å; H747-R929 VanDerWaalsContact O-CZ 3.31Å; H747-R929 PolarHBondContact O-NH1 3.07Å; H747-R929 PolarHBondContact O-NH2 3.02Å
748	V	93.8	Very high	94.3	Very high	35 Å²	35	32.1 Å²	32.1	21%	0.212	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-19.8	172.7	-73.1	0	0	0	0	112.6	N180 N745	N180-V748 HydrophobicContact CB-CG2 4.27Å; N745-V748 HydrophobicContact CB-CG2 3.79Å; N745-V748 WeakPolarHBondContact O-CG2 3.22Å; N745-V748 PolarHBondContact O-N 2.93Å
749	R	93.3	Very high	94.4	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.026	19%	0.191	C	C	.	.			trans	-79.1	129.8	-178.7	-68.9	177.9	61.5	95.2	11.3	112	R119 E196 N745 F746 D751 R929	R119-R749 VanDerWaalsContact CD-NH1 3.33Å; R119-R749 VanDerWaalsContact NE-NH1 3.13Å; E196-R749 VanDerWaalsContact CD-NH2 3.32Å; E196-R749 IonicContact OE1-CZ 2.76Å; E196-R749 IonicContact OE1-NH1 2.73Å; E196-R749 PolarHBondContact OE1-NH1 2.89Å; E196-R749 IonicContact OE1-NH2 3.7Å; E196-R749 PolarHBondContact OE1-NH2 3.25Å; E196-R749 IonicContact OE2-NH2 2.73Å; E196-R749 PolarHBondContact OE2-NH2 3.2Å; N745-R749 WeakPolarHBondContact O-CG 3.43Å; N745-R749 PolarHBondContact O-N 3.28Å; N745-R749 VanDerWaalsContact OD1-CD 3.29Å; N745-R749 WeakPolarHBondContact OD1-CD 3.35Å; F746-R749 PolarHBondContact O-N 3.1Å; R749-D751 IonicContact CZ-OD1 2.78Å; R749-D751 IonicContact CZ-OD2 3.8Å; R749-D751 IonicContact NE-OD1 3.03Å; R749-D751 IonicContact NE-OD2 3.38Å; R749-D751 PolarHBondContact NE-OD2 3.04Å; R749-D751 IonicContact NH2-OD1 2.83Å; R749-D751 PolarHBondContact NH2-OD1 3.4Å; R749-D751 IonicContact NH2-OD2 2.87Å; R749-D751 PolarHBondContact NH2-OD2 3.45Å; R749-D751 PolarHBondContact O-N 3.13Å; R749-R929 PolarHBondContact O-NH1 2.94Å
750	M	92.9	Very high	94.5	Very high	20 Å²	20	40.1 Å²	40.1	10%	0.099	20%	0.2	C	C	.	.			trans	-96.5	60.1	174.2	-66.7	-67.6	-154.2	0	0	111.4	L120 Q913 M915 K927 R929	L120-M750 HydrophobicContact CD2-CB 3.9Å; L120-M750 HydrophobicContact CD2-CG 3.68Å; M750-Q913 HydrophobicContact CE-CB 3.68Å; M750-M915 HydrophobicContact CE-CB 3.86Å; M750-K927 HydrophobicContact CB-CD 3.87Å; M750-K927 HydrophobicContact CG-CD 4.44Å; M750-R929 HydrophobicContact CE-CB 4.34Å; M750-R929 HydrophobicContact SD-CB 3.68Å; M750-R929 HydrophobicContact SD-CG 4.41Å
751	D	92.5	Very high	94.7	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.193	22%	0.218	C	C	.	.			trans	-73.2	146.4	177.3	-70.1	-45.7	0	0	0	111.1	Y742 R749 L753 S819	Y742-D751 PolarHBondContact OH-OD2 2.89Å; R749-D751 IonicContact CZ-OD1 2.78Å; R749-D751 IonicContact CZ-OD2 3.8Å; R749-D751 IonicContact NE-OD1 3.03Å; R749-D751 IonicContact NE-OD2 3.38Å; R749-D751 PolarHBondContact NE-OD2 3.04Å; R749-D751 IonicContact NH2-OD1 2.83Å; R749-D751 PolarHBondContact NH2-OD1 3.4Å; R749-D751 IonicContact NH2-OD2 2.87Å; R749-D751 PolarHBondContact NH2-OD2 3.45Å; R749-D751 PolarHBondContact O-N 3.13Å; D751-L753 VanDerWaalsContact C-N 3.34Å; D751-L753 PolarHBondContact O-N 3.17Å; D751-S819 VanDerWaalsContact O-CB 3.23Å; D751-S819 WeakPolarHBondContact O-CB 3.45Å; D751-S819 PolarHBondContact O-OG 3.36Å
752	T	91.8	Very high	94.7	Very high	96 Å²	96	47.4 Å²	47.4	59%	0.589	23%	0.232	S	C	*	.	S	Bend	trans	-61.9	-39.9	-175.3	-49.8	0	0	0	0	112.7	R818 S819	T752-R818 WeakPolarHBondContact O-CA 3.43Å; T752-S819 PolarHBondContact O-N 3.06Å; T752-S819 VanDerWaalsContact O-N 3.12Å
753	L	92.8	Very high	94.8	Very high	94 Å²	94	47.1 Å²	47.1	49%	0.492	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	128.6	-179.9	-63.6	171.4	0	0	0	108.1	D751 F816 Y817 R818	D751-L753 VanDerWaalsContact C-N 3.34Å; D751-L753 PolarHBondContact O-N 3.17Å; L753-F816 HydrophobicContact CD2-CE2 3.82Å; L753-F816 HydrophobicContact CD2-CZ 3.58Å; L753-Y817 WeakPolarHBondContact CA-O 3.45Å; L753-R818 HydrophobicContact CD2-CG 4.37Å
754	A	94.2	Very high	94.9	Very high	4 Å²	4	49 Å²	49	3%	0.033	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.4	172.4	0	0	0	0	0	110.9	Y742 F816 Y817	Y742-A754 HydrophobicContact CE1-CB 3.74Å; A754-F816 WeakPolarHBondContact O-CA 3.41Å; A754-Y817 HydrophobicContact CB-CD2 4.47Å; A754-Y817 PolarHBondContact N-O 3.32Å; A754-Y817 PolarHBondContact O-N 3.19Å
755	H	95.3	Very high	95	Very high	15 Å²	15	46 Å²	46	7%	0.069	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.1	171.8	-65.4	-90.3	0	0	0	108.6	M739 F816 M1066	M739-H755 HydrophobicContact CB-CB 4.22Å; M739-H755 HydrophobicContact CG-CB 3.74Å; M739-H755 HydrophobicContact SD-CB 3.52Å; M739-H755 VanDerWaalsContact SD-CB 3.52Å; H755-F816 AromaticContact CE1-CD2 3.16Å; H755-F816 WeakPolarHBondContact CE1-CD2 3.44Å; H755-F816 AromaticContact CE1-CE2 3.67Å; H755-F816 AromaticContact ND1-CD2 3.57Å; H755-F816 AromaticContact NE2-CD2 3.55Å; H755-F816 AromaticContact NE2-CE2 3.64Å; H755-M1066 VanDerWaalsContact CE1-CE 3.43Å; H755-M1066 WeakPolarHBondContact CE1-CE 3.43Å
756	V	96.4	Very high	95	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.7	179.4	-176.4	0	0	0	0	108.9	I741 Y742 F746 S814 T815 Y817	I741-V756 HydrophobicContact CG1-CG1 4.09Å; Y742-V756 HydrophobicContact CD1-CG2 4.3Å; Y742-V756 HydrophobicContact CE1-CG2 3.9Å; F746-V756 HydrophobicContact CD2-CG2 3.99Å; F746-V756 HydrophobicContact CE1-CG1 4.33Å; F746-V756 HydrophobicContact CE2-CG1 4.39Å; F746-V756 HydrophobicContact CE2-CG2 4.19Å; F746-V756 HydrophobicContact CG-CG2 4.26Å; F746-V756 HydrophobicContact CZ-CG1 4.1Å; V756-S814 CarbonylContact O-C 3.6Å; V756-S814 WeakPolarHBondContact O-CA 3.35Å; V756-S814 WeakPolarHBondContact O-CB 3.47Å; V756-T815 PolarHBondContact N-O 2.82Å; V756-T815 PolarHBondContact O-N 2.85Å; V756-Y817 HydrophobicContact CG2-CD2 4.47Å; V756-Y817 HydrophobicContact CG2-CE2 4.19Å
757	L	96.6	Very high	95	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	146.6	172.2	-75.8	176	0	0	0	110.5	M739 P760	M739-L757 HydrophobicContact CB-CG 4.33Å; M739-L757 WeakPolarHBondContact O-CD1 3.48Å; L757-P760 HydrophobicContact CB-CB 4.4Å
758	W	96.4	Very high	95	Very high	92 Å²	92	42.8 Å²	42.8	35%	0.348	21%	0.206	S	C	.	.	S	Bend	trans	-72.2	-44.8	177.7	-71.3	14.8	0	0	0	112.5	R813 T815 I933	W758-R813 HydrophobicContact CD2-CB 3.77Å; W758-R813 HydrophobicContact CE3-CB 3.99Å; W758-R813 HydrophobicContact CG-CB 4.03Å; W758-R813 PolarHBondContact N-O 3.31Å; W758-T815 PolarHBondContact NE1-OG1 3.07Å; W758-I933 HydrophobicContact CH2-CD1 4.46Å; W758-I933 HydrophobicContact CH2-CG2 4.35Å; W758-I933 HydrophobicContact CZ2-CD1 4Å; W758-I933 HydrophobicContact CZ2-CG1 4.12Å; W758-I933 HydrophobicContact CZ2-CG2 3.67Å
759	Y	97.1	Very high	95	Very high	136 Å²	136	41.3 Å²	41.3	53%	0.533	20%	0.198	S	C	.	.	S	Bend	trans	-130.2	65.3	-173.6	-52	-63.1	0	0	0	111.2	I782	Y759-I782 WeakPolarHBondContact O-CD1 3.41Å; Y759-I782 WeakPolarHBondContact O-CG1 3.49Å
760	P	96.6	Very high	95.1	Very high	32 Å²	32	41 Å²	41	21%	0.208	20%	0.196	C	C	.	.			trans	-66.2	141.3	173.4	34	-37	0	0	0	109.5	I741 L757 P779	I741-P760 HydrophobicContact CD1-CG 3.64Å; I741-P760 HydrophobicContact CG1-CG 3.99Å; L757-P760 HydrophobicContact CB-CB 4.4Å; P760-P779 HydrophobicContact CB-CB 4.44Å; P760-P779 HydrophobicContact CB-CG 4.02Å
761	Q	96.8	Very high	95.1	Very high	78 Å²	78	46 Å²	46	36%	0.364	22%	0.22	S	C	.	.			trans	-120.6	148.3	-178.9	-63.7	179	-10.2	0	0	110.2	P779 G781 I782 N783 Y1059	Q761-P779 VanDerWaalsContact C-CG 3.49Å; Q761-P779 WeakPolarHBondContact O-CB 3.4Å; Q761-P779 WeakPolarHBondContact O-CG 3.47Å; Q761-G781 PolarHBondContact N-O 3.26Å; Q761-I782 HydrophobicContact CG-CG2 4.28Å; Q761-N783 PolarHBondContact OE1-ND2 3.05Å; Q761-N783 VanDerWaalsContact OE1-ND2 3.08Å; Q761-Y1059 VanDerWaalsContact O-CE2 3.22Å; Q761-Y1059 WeakPolarHBondContact O-CE2 3.42Å
762	K	95.6	Very high	95.1	Very high	116 Å²	116	45.4 Å²	45.4	50%	0.504	22%	0.215	S	C	.	.			trans	-64.4	145.8	164	59.8	179.1	179.9	175.1	0	109.8	N783	K762-N783 PolarHBondContact O-ND2 2.8Å
763	P	96.7	Very high	95.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.188	C	C	.	.			trans	-65.3	144	176	-5	18.3	0	0	0	110.2	T766 M770 F775 Y1059	P763-T766 HydrophobicContact CB-CG2 3.88Å; P763-T766 HydrophobicContact CG-CG2 3.85Å; P763-T766 VanDerWaalsContact O-CG2 3.27Å; P763-T766 WeakPolarHBondContact O-CG2 3.37Å; P763-M770 HydrophobicContact CG-SD 4.07Å; P763-F775 HydrophobicContact CG-CD1 4.15Å; P763-F775 HydrophobicContact CG-CE1 3.95Å; P763-Y1059 HydrophobicContact CB-CD2 4.02Å; P763-Y1059 HydrophobicContact CB-CE2 4.45Å; P763-Y1059 HydrophobicContact CB-CG 4.07Å; P763-Y1059 HydrophobicContact CG-CD2 4.39Å; P763-Y1059 HydrophobicContact CG-CE2 4.37Å
764	L	96.5	Very high	95.1	Very high	41 Å²	41	41.3 Å²	41.3	22%	0.215	18%	0.183	C	C	.	.	S	Bend	trans	-70.5	-26	170.4	-71.5	173.3	0	0	0	112.7	N783 A998 G1004 P1057	L764-N783 HydrophobicContact CD1-CB 4.23Å; L764-N783 HydrophobicContact CG-CB 4.37Å; L764-N783 PolarHBondContact N-OD1 2.86Å; L764-A998 HydrophobicContact CD1-CB 4.21Å; L764-G1004 PolarHBondContact O-N 2.97Å; L764-P1057 HydrophobicContact CD1-CB 3.89Å; L764-P1057 HydrophobicContact CD1-CG 4.04Å
765	V	96.5	Very high	95.1	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107.5	-179.2	-178.7	0	0	0	0	107.7	P718 F719 R945 E990 Q993 G994 G1004 A1006	P718-V765 HydrophobicContact CB-CG1 4.11Å; F719-V765 HydrophobicContact CE2-CG1 4.15Å; V765-R945 VanDerWaalsContact O-CZ 3.27Å; V765-R945 PolarHBondContact O-NH1 2.72Å; V765-R945 PolarHBondContact O-NH2 2.56Å; V765-E990 HydrophobicContact CB-CG 4.14Å; V765-E990 HydrophobicContact CG1-CG 4.32Å; V765-E990 HydrophobicContact CG2-CG 4.27Å; V765-Q993 HydrophobicContact CG1-CB 4.34Å; V765-Q993 HydrophobicContact CG1-CG 4Å; V765-Q993 HydrophobicContact CG2-CB 4.02Å; V765-Q993 HydrophobicContact CG2-CG 3.89Å; V765-G994 VanDerWaalsContact CG2-CA 3.44Å; V765-G994 VanDerWaalsContact CG2-N 3.33Å; V765-G1004 CarbonylContact C-O 3.56Å; V765-G1004 WeakPolarHBondContact CA-O 3.19Å; V765-A1006 HydrophobicContact CG1-CB 3.36Å
766	T	95.8	Very high	95	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.104	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.1	-171.7	57.4	0	0	0	0	111.3	P763 M770 I1003 G1004 A1006	P763-T766 HydrophobicContact CB-CG2 3.88Å; P763-T766 HydrophobicContact CG-CG2 3.85Å; P763-T766 VanDerWaalsContact O-CG2 3.27Å; P763-T766 WeakPolarHBondContact O-CG2 3.37Å; T766-M770 HydrophobicContact CG2-SD 3.92Å; T766-I1003 HydrophobicContact CG2-CG2 3.85Å; T766-I1003 WeakPolarHBondContact OG1-CG2 3.27Å; T766-G1004 PolarHBondContact N-O 3.21Å; T766-A1006 PolarHBondContact O-N 2.73Å
767	T	95.2	Very high	94.8	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.025	22%	0.216	C	C	.	.			trans	-88	148.3	163.8	66.7	0	0	0	0	107.9	S715 A769 M770	S715-T767 WeakPolarHBondContact O-CG2 3.2Å; S715-T767 PolarHBondContact O-OG1 3.17Å; T767-A769 PolarHBondContact O-N 2.74Å; T767-M770 HydrophobicContact CG2-CE 4.14Å; T767-M770 WeakPolarHBondContact O-CB 3.41Å; T767-M770 PolarHBondContact O-N 3.48Å; T767-M770 WeakPolarHBondContact OG1-CG 3.41Å
768	R	93.4	Very high	94.7	Very high	59 Å²	59	48 Å²	48	22%	0.223	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.1	176.8	-68.4	178.1	-178.6	-137.1	2.5	112.1	E29 W32 M770 E771 D1005 T1007	E29-R768 VanDerWaalsContact CD-NH1 3.33Å; E29-R768 IonicContact OE1-CZ 2.64Å; E29-R768 IonicContact OE1-NH1 3Å; E29-R768 PolarHBondContact OE1-NH1 2.88Å; E29-R768 VanDerWaalsContact OE1-NH1 3.16Å; E29-R768 IonicContact OE1-NH2 3.96Å; E29-R768 PolarHBondContact OE1-NH2 3.16Å; E29-R768 IonicContact OE2-CZ 2.84Å; E29-R768 IonicContact OE2-NH1 3.7Å; E29-R768 PolarHBondContact OE2-NH1 2.94Å; E29-R768 IonicContact OE2-NH2 3.98Å; W32-R768 HydrophobicContact CD2-CB 3.73Å; W32-R768 HydrophobicContact CD2-CG 4.31Å; W32-R768 VanDerWaalsContact CE2-CD 3.4Å; W32-R768 HydrophobicContact CE3-CB 3.53Å; W32-R768 HydrophobicContact CH2-CB 3.73Å; W32-R768 HydrophobicContact CZ2-CB 3.91Å; W32-R768 HydrophobicContact CZ3-CB 3.52Å; W32-R768 VanDerWaalsContact NE1-CD 3.28Å; R768-M770 PolarHBondContact O-N 3.41Å; R768-M770 VanDerWaalsContact O-N 3.13Å; R768-E771 WeakPolarHBondContact O-CB 3.34Å; R768-E771 PolarHBondContact O-N 2.86Å; R768-D1005 IonicContact CZ-OD2 2.96Å; R768-D1005 IonicContact NE-OD2 2.69Å; R768-D1005 PolarHBondContact NE-OD2 3.5Å; R768-D1005 IonicContact NH2-OD2 2.66Å; R768-T1007 PolarHBondContact N-OG1 3.46Å
769	A	93.7	Very high	94.7	Very high	4 Å²	4	44 Å²	44	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-20.2	174.9	0	0	0	0	0	114.8	W32 L533 T767 E771 Y772 L773	W32-A769 HydrophobicContact CZ3-CB 4.43Å; L533-A769 HydrophobicContact CD1-CB 3.92Å; T767-A769 PolarHBondContact O-N 2.74Å; A769-E771 PolarHBondContact O-N 3.49Å; A769-Y772 PolarHBondContact O-N 3.42Å; A769-L773 WeakPolarHBondContact O-CG 3.31Å; A769-L773 PolarHBondContact O-N 3.21Å
770	M	94.6	Very high	94.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-24.2	177	-74.6	175.6	-166.5	0	0	113.6	I716 P763 T766 T767 R768 L773 R774 F775	I716-M770 VanDerWaalsContact C-CE 3.42Å; I716-M770 VanDerWaalsContact CA-CE 3.43Å; I716-M770 HydrophobicContact CB-CE 4.15Å; I716-M770 WeakPolarHBondContact O-CE 3.35Å; P763-M770 HydrophobicContact CG-SD 4.07Å; T766-M770 HydrophobicContact CG2-SD 3.92Å; T767-M770 HydrophobicContact CG2-CE 4.14Å; T767-M770 WeakPolarHBondContact O-CB 3.41Å; T767-M770 PolarHBondContact O-N 3.48Å; T767-M770 WeakPolarHBondContact OG1-CG 3.41Å; R768-M770 PolarHBondContact O-N 3.41Å; R768-M770 VanDerWaalsContact O-N 3.13Å; M770-L773 CarbonylContact O-C 3.53Å; M770-L773 PolarHBondContact O-N 2.88Å; M770-R774 PolarHBondContact O-N 3.08Å; M770-R774 VanDerWaalsContact O-N 3.16Å; M770-F775 HydrophobicContact CB-CB 4.16Å; M770-F775 HydrophobicContact CG-CB 4.35Å; M770-F775 PolarHBondContact O-N 3.25Å; M770-F775 HydrophobicContact SD-CD1 4.28Å
771	E	92.5	Very high	94.5	Very high	125 Å²	125	36.1 Å²	36.1	58%	0.584	17%	0.169	S	C	*	.	H	α-helix	trans	-63.5	-51.2	177.3	-173.9	168.2	-172.4	0	0	110.8	R768 A769 L773 R774	R768-E771 WeakPolarHBondContact O-CB 3.34Å; R768-E771 PolarHBondContact O-N 2.86Å; A769-E771 PolarHBondContact O-N 3.49Å; E771-L773 VanDerWaalsContact C-N 3.27Å; E771-L773 PolarHBondContact O-N 3.26Å; E771-R774 WeakPolarHBondContact O-CA 3.2Å; E771-R774 PolarHBondContact O-N 3.12Å
772	Y	92.8	Very high	94.5	Very high	25 Å²	25	32.8 Å²	32.8	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-31.2	177.3	-45.6	-49.7	0	0	0	112.9	W32 I35 S36 F39 A769 R774	W32-Y772 AromaticContact CE3-CE2 3.75Å; W32-Y772 HydrophobicContact CE3-CE2 3.75Å; W32-Y772 AromaticContact CZ3-CE2 3.8Å; W32-Y772 HydrophobicContact CZ3-CE2 3.8Å; W32-Y772 PolarHBondContact O-OH 2.94Å; I35-Y772 HydrophobicContact CB-CE2 4.28Å; I35-Y772 HydrophobicContact CG2-CD2 4.06Å; I35-Y772 HydrophobicContact CG2-CE2 3.36Å; S36-Y772 PolarHBondContact N-OH 2.92Å; S36-Y772 WeakPolarHBondContact OG-CE1 3.3Å; S36-Y772 PolarHBondContact OG-OH 2.83Å; F39-Y772 HydrophobicContact CB-CD1 4.13Å; F39-Y772 HydrophobicContact CB-CG 4.23Å; F39-Y772 AromaticContact CD2-CD1 3.93Å; F39-Y772 HydrophobicContact CD2-CD1 3.93Å; F39-Y772 AromaticContact CD2-CD2 3.46Å; F39-Y772 HydrophobicContact CD2-CD2 3.46Å; F39-Y772 VanDerWaalsContact CD2-CD2 3.46Å; F39-Y772 HydrophobicContact CD2-CE1 4.42Å; F39-Y772 AromaticContact CD2-CE2 3.98Å; F39-Y772 HydrophobicContact CD2-CE2 3.98Å; F39-Y772 AromaticContact CD2-CG 3.42Å; F39-Y772 HydrophobicContact CD2-CG 3.42Å; F39-Y772 VanDerWaalsContact CD2-CG 3.42Å; F39-Y772 AromaticContact CE2-CD2 3.67Å; F39-Y772 HydrophobicContact CE2-CD2 3.67Å; F39-Y772 HydrophobicContact CE2-CE2 4.2Å; F39-Y772 HydrophobicContact CE2-CG 4.05Å; F39-Y772 HydrophobicContact CG-CD1 4.37Å; F39-Y772 HydrophobicContact CG-CD2 4.45Å; F39-Y772 HydrophobicContact CG-CG 4.01Å; A769-Y772 PolarHBondContact O-N 3.42Å; Y772-R774 PolarHBondContact O-N 3.02Å
773	L	92.8	Very high	94.6	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.6	172.8	-62.9	-178.9	0	0	0	113	L44 Y480 L484 L533 V712 I716 A769 M770 E771 F775	L44-L773 HydrophobicContact CD1-CD2 3.78Å; L44-L773 HydrophobicContact CD2-CD2 4.17Å; Y480-L773 WeakPolarHBondContact CD1-O 3.18Å; Y480-L773 WeakPolarHBondContact CE1-O 3.27Å; L484-L773 HydrophobicContact CD1-CD2 4.35Å; L533-L773 HydrophobicContact CD2-CD2 4.05Å; V712-L773 HydrophobicContact CB-CD2 4.37Å; V712-L773 HydrophobicContact CG1-CD1 4.23Å; V712-L773 HydrophobicContact CG1-CD2 3.9Å; V712-L773 HydrophobicContact CG2-CD2 4.13Å; V712-L773 WeakPolarHBondContact O-CD1 3.49Å; I716-L773 HydrophobicContact CG2-CD1 4.19Å; A769-L773 WeakPolarHBondContact O-CG 3.31Å; A769-L773 PolarHBondContact O-N 3.21Å; M770-L773 CarbonylContact O-C 3.53Å; M770-L773 PolarHBondContact O-N 2.88Å; E771-L773 VanDerWaalsContact C-N 3.27Å; E771-L773 PolarHBondContact O-N 3.26Å; L773-F775 HydrophobicContact CB-CB 4.49Å; L773-F775 PolarHBondContact O-N 3.4Å
774	R	92.7	Very high	94.6	Very high	99 Å²	99	28.6 Å²	28.6	37%	0.374	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	33	-175.6	-64.9	169.4	174.4	-157.4	6.5	112.2	M184 Y480 M770 E771 Y772 N776 D777 L778	M184-R774 HydrophobicContact CE-CB 3.81Å; M184-R774 VanDerWaalsContact CE-CD 3.45Å; M184-R774 HydrophobicContact CE-CG 3.8Å; M184-R774 PolarHBondContact SD-NH1 3.06Å; Y480-R774 HydrophobicContact CE1-CB 4.15Å; M770-R774 PolarHBondContact O-N 3.08Å; M770-R774 VanDerWaalsContact O-N 3.16Å; E771-R774 WeakPolarHBondContact O-CA 3.2Å; E771-R774 PolarHBondContact O-N 3.12Å; Y772-R774 PolarHBondContact O-N 3.02Å; R774-N776 VanDerWaalsContact C-N 3.3Å; R774-D777 PolarHBondContact O-N 3.3Å; R774-L778 PolarHBondContact O-N 3.05Å; R774-L778 VanDerWaalsContact O-N 3.15Å
775	F	93.7	Very high	94.6	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.026	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-26.2	-177.8	-169.4	-94.1	0	0	0	111.6	I716 P763 M770 L773 D777 L778 P779 A780 Y1059	I716-F775 HydrophobicContact CG2-CD2 4.13Å; I716-F775 HydrophobicContact CG2-CE2 4.33Å; I716-F775 HydrophobicContact CG2-CG 4.45Å; P763-F775 HydrophobicContact CG-CD1 4.15Å; P763-F775 HydrophobicContact CG-CE1 3.95Å; M770-F775 HydrophobicContact CB-CB 4.16Å; M770-F775 HydrophobicContact CG-CB 4.35Å; M770-F775 PolarHBondContact O-N 3.25Å; M770-F775 HydrophobicContact SD-CD1 4.28Å; L773-F775 HydrophobicContact CB-CB 4.49Å; L773-F775 PolarHBondContact O-N 3.4Å; F775-D777 VanDerWaalsContact C-N 3.3Å; F775-L778 CarbonylContact O-C 3.4Å; F775-P779 WeakPolarHBondContact O-CA 3.44Å; F775-A780 HydrophobicContact CE2-CB 4.2Å; F775-A780 HydrophobicContact CZ-CB 4.2Å; F775-Y1059 HydrophobicContact CE1-CE1 4.09Å; F775-Y1059 HydrophobicContact CZ-CE1 4.13Å
776	N	92	Very high	94.7	Very high	56 Å²	56	29 Å²	29	30%	0.299	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.8	173.3	-68.3	-18.9	0	0	0	111.7	R774	R774-N776 VanDerWaalsContact C-N 3.3Å
777	D	93	Very high	94.7	Very high	99 Å²	99	28.2 Å²	28.2	53%	0.529	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-40.3	179.2	-53.9	-43	0	0	0	112.1	M184 R774 F775 P779	M184-D777 HydrophobicContact CE-CB 3.65Å; M184-D777 WeakPolarHBondContact CE-OD2 3.38Å; R774-D777 PolarHBondContact O-N 3.3Å; F775-D777 VanDerWaalsContact C-N 3.3Å; D777-P779 VanDerWaalsContact O-CD 3.28Å; D777-P779 WeakPolarHBondContact O-CD 3.12Å
778	L	94.5	Very high	94.6	Very high	11 Å²	11	29.1 Å²	29.1	6%	0.058	14%	0.139	C	C	.	.	S	Bend	trans	-120.5	69.1	-179.5	-63	179.5	0	0	0	112.4	M184 Y480 I741 T744 R774 F775	M184-L778 HydrophobicContact CB-CD1 4.25Å; M184-L778 HydrophobicContact CG-CD1 4.5Å; Y480-L778 HydrophobicContact CD1-CD1 4.47Å; Y480-L778 HydrophobicContact CD2-CD1 3.92Å; Y480-L778 HydrophobicContact CG-CD1 3.91Å; I741-L778 HydrophobicContact CB-CD2 4.05Å; I741-L778 HydrophobicContact CG2-CD2 3.65Å; T744-L778 HydrophobicContact CG2-CD2 4.26Å; R774-L778 PolarHBondContact O-N 3.05Å; R774-L778 VanDerWaalsContact O-N 3.15Å; F775-L778 CarbonylContact O-C 3.4Å
779	P	95.6	Very high	94.6	Very high	7 Å²	7	27.5 Å²	27.5	5%	0.045	13%	0.134	C	C	.	.			trans	-73.2	161.5	-178.7	18.6	-19.8	0	0	0	113.8	P760 Q761 F775 D777 Y1059	P760-P779 HydrophobicContact CB-CB 4.44Å; P760-P779 HydrophobicContact CB-CG 4.02Å; Q761-P779 VanDerWaalsContact C-CG 3.49Å; Q761-P779 WeakPolarHBondContact O-CB 3.4Å; Q761-P779 WeakPolarHBondContact O-CG 3.47Å; F775-P779 WeakPolarHBondContact O-CA 3.44Å; D777-P779 VanDerWaalsContact O-CD 3.28Å; D777-P779 WeakPolarHBondContact O-CD 3.12Å; P779-Y1059 WeakPolarHBondContact CB-OH 3.36Å
780	A	94.1	Very high	94.6	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.033	16%	0.156	C	C	.	.			trans	-123	25.2	-174.9	0	0	0	0	0	114.5	T479 A738 M739 F775 Y1059	T479-A780 HydrophobicContact CG2-CB 4.1Å; A738-A780 HydrophobicContact CB-CB 4.01Å; M739-A780 CarbonylContact O-C 3.59Å; M739-A780 WeakPolarHBondContact O-CA 3.34Å; F775-A780 HydrophobicContact CE2-CB 4.2Å; F775-A780 HydrophobicContact CZ-CB 4.2Å; A780-Y1059 PolarHBondContact N-OH 2.99Å
781	G	95.5	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.			trans	-171.7	-173.5	-171.4	0	0	0	0	0	113.3	Q761 Y1059 Y1060	Q761-G781 PolarHBondContact N-O 3.26Å; G781-Y1059 WeakPolarHBondContact CA-OH 3.33Å; G781-Y1059 PolarHBondContact N-OH 3.05Å; G781-Y1060 CarbonylContact C-O 3.56Å; G781-Y1060 WeakPolarHBondContact CA-O 3.25Å
782	I	97.5	Very high	94.5	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.041	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142	-177	-56.4	-176.8	0	0	0	108.1	Y759 Q761 A784 L811 F812 Y1060	Y759-I782 WeakPolarHBondContact O-CD1 3.41Å; Y759-I782 WeakPolarHBondContact O-CG1 3.49Å; Q761-I782 HydrophobicContact CG-CG2 4.28Å; I782-A784 PolarHBondContact O-N 3.42Å; I782-L811 HydrophobicContact CD1-CD1 4.36Å; I782-L811 HydrophobicContact CG2-CD1 4.03Å; I782-F812 HydrophobicContact CB-CD1 4.17Å; I782-F812 HydrophobicContact CB-CE1 3.54Å; I782-F812 HydrophobicContact CB-CE2 4.45Å; I782-F812 HydrophobicContact CB-CZ 3.68Å; I782-F812 HydrophobicContact CD1-CB 4.48Å; I782-F812 HydrophobicContact CD1-CD1 3.64Å; I782-F812 HydrophobicContact CD1-CE1 3.95Å; I782-F812 HydrophobicContact CD1-CG 3.99Å; I782-F812 HydrophobicContact CG1-CD1 3.79Å; I782-F812 HydrophobicContact CG1-CE1 3.62Å; I782-F812 HydrophobicContact CG1-CZ 4.24Å; I782-Y1060 PolarHBondContact N-O 2.95Å; I782-Y1060 PolarHBondContact O-N 3.13Å
783	N	97.5	Very high	94.5	Very high	27 Å²	27	28.4 Å²	28.4	14%	0.144	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	108.4	169.1	-55.3	-72.4	0	0	0	108.3	Q761 K762 L764	Q761-N783 PolarHBondContact OE1-ND2 3.05Å; Q761-N783 VanDerWaalsContact OE1-ND2 3.08Å; K762-N783 PolarHBondContact O-ND2 2.8Å; L764-N783 HydrophobicContact CD1-CB 4.23Å; L764-N783 HydrophobicContact CG-CB 4.37Å; L764-N783 PolarHBondContact N-OD1 2.86Å
784	A	96.7	Very high	94.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	145.1	178.6	0	0	0	0	0	109.7	I782 V786 D971 I972 P1057 T1058	I782-A784 PolarHBondContact O-N 3.42Å; A784-V786 HydrophobicContact CB-CG2 4.45Å; A784-V786 PolarHBondContact O-N 3.28Å; A784-D971 HydrophobicContact CB-CB 4.17Å; A784-I972 HydrophobicContact CB-CD1 3.93Å; A784-I972 HydrophobicContact CB-CG1 4.23Å; A784-P1057 CarbonylContact O-C 3.56Å; A784-P1057 WeakPolarHBondContact O-CA 3.38Å; A784-T1058 PolarHBondContact N-O 3.14Å; A784-T1058 PolarHBondContact O-N 2.88Å
785	I	97.6	Very high	94.8	Very high	52 Å²	52	28.9 Å²	28.9	27%	0.267	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	113.4	169.5	-58.2	-179.5	0	0	0	108.1	I968 P970 D971 I972 I1055	I785-I968 HydrophobicContact CD1-CG2 3.67Å; I785-I968 HydrophobicContact CG2-CG2 4.26Å; I785-P970 HydrophobicContact CG2-CB 4.42Å; I785-D971 PolarHBondContact N-OD2 3.28Å; I785-D971 PolarHBondContact O-N 2.98Å; I785-I972 PolarHBondContact O-N 3.37Å; I785-I972 VanDerWaalsContact O-N 3.15Å; I785-I1055 HydrophobicContact CG2-CD1 3.9Å; I785-I1055 HydrophobicContact CG2-CG1 3.84Å
786	V	97.1	Very high	94.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.6	-176.1	-178.1	0	0	0	0	109.8	A784 I972 I974 I1055 G1056 Y1060	A784-V786 HydrophobicContact CB-CG2 4.45Å; A784-V786 PolarHBondContact O-N 3.28Å; V786-I972 WeakPolarHBondContact CA-O 3.47Å; V786-I972 HydrophobicContact CG2-CB 4.38Å; V786-I974 HydrophobicContact CG1-CD1 4.25Å; V786-I974 HydrophobicContact CG1-CG1 4.16Å; V786-I974 HydrophobicContact CG1-CG2 4.03Å; V786-I1055 CarbonylContact O-C 3.58Å; V786-I1055 VanDerWaalsContact O-CA 3.29Å; V786-I1055 WeakPolarHBondContact O-CA 3.37Å; V786-G1056 PolarHBondContact N-O 2.86Å; V786-G1056 PolarHBondContact O-N 2.74Å; V786-Y1060 HydrophobicContact CG2-CD2 3.95Å; V786-Y1060 HydrophobicContact CG2-CE2 3.52Å
787	A	95.6	Very high	94.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.9	168	0	0	0	0	0	110.4	L789 P970 I972 I973 I974 M1035 V1053 F1054 I1055	A787-L789 PolarHBondContact O-N 3.27Å; A787-P970 HydrophobicContact CB-CB 3.75Å; A787-P970 HydrophobicContact CB-CG 3.86Å; A787-I972 PolarHBondContact N-O 3.3Å; A787-I973 HydrophobicContact CB-CG1 4.48Å; A787-I973 WeakPolarHBondContact O-CA 3.35Å; A787-I974 PolarHBondContact O-N 3.13Å; A787-M1035 HydrophobicContact CB-SD 4.49Å; A787-V1053 HydrophobicContact CB-CG1 4.27Å; A787-F1054 WeakPolarHBondContact CA-O 3.24Å; A787-I1055 HydrophobicContact CB-CB 4.45Å; A787-I1055 HydrophobicContact CB-CD1 4.4Å; A787-I1055 HydrophobicContact CB-CG1 4.25Å
788	I	94.7	Very high	94.4	Very high	24 Å²	24	38.3 Å²	38.3	12%	0.123	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	94.5	174.7	-51.9	-171.2	0	0	0	107.9	I974 P976 L988 F1054	I788-I974 HydrophobicContact CB-CG1 4.2Å; I788-I974 HydrophobicContact CD1-CD1 4.03Å; I788-I974 HydrophobicContact CG1-CD1 3.78Å; I788-I974 HydrophobicContact CG1-CG1 3.75Å; I788-I974 HydrophobicContact CG2-CG1 4.22Å; I788-P976 HydrophobicContact CG2-CB 4.07Å; I788-P976 HydrophobicContact CG2-CG 4Å; I788-L988 HydrophobicContact CD1-CD2 3.34Å; I788-F1054 HydrophobicContact CB-CB 4.42Å; I788-F1054 HydrophobicContact CB-CD1 4.49Å; I788-F1054 HydrophobicContact CD1-CD1 3.56Å; I788-F1054 HydrophobicContact CD1-CE1 4Å; I788-F1054 HydrophobicContact CG1-CD1 3.87Å; I788-F1054 PolarHBondContact N-O 3.11Å
789	L	93.1	Very high	94.5	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.131	21%	0.205	C	C	.	.			trans	-149.1	137.8	-171.1	179.4	64.9	0	0	0	111.4	A787 Y791 N795 P962 I973 I974 L1044 V1053	A787-L789 PolarHBondContact O-N 3.27Å; L789-Y791 HydrophobicContact CD2-CD2 4.13Å; L789-Y791 HydrophobicContact CD2-CG 4.37Å; L789-Y791 PolarHBondContact O-N 3.38Å; L789-N795 PolarHBondContact O-ND2 2.73Å; L789-P962 HydrophobicContact CD2-CG 4.16Å; L789-I973 HydrophobicContact CB-CG2 3.82Å; L789-I973 VanDerWaalsContact O-CG2 3.31Å; L789-I973 WeakPolarHBondContact O-CG2 3.13Å; L789-I974 PolarHBondContact N-O 2.65Å; L789-L1044 HydrophobicContact CD1-CD1 4.45Å; L789-L1044 HydrophobicContact CD2-CD1 3.75Å; L789-V1053 HydrophobicContact CB-CG1 3.96Å; L789-V1053 HydrophobicContact CD1-CG1 4.41Å; L789-V1053 HydrophobicContact CD1-CG2 3.89Å; L789-V1053 HydrophobicContact CD2-CG2 4.46Å
790	S	92.8	Very high	94.5	Very high	71 Å²	71	38.8 Å²	38.8	50%	0.497	21%	0.205	S	C	.	.			trans	-80	106.1	164.6	-175	0	0	0	0	108.6
791	Y	92.1	Very high	94.7	Very high	12 Å²	12	38.6 Å²	38.6	5%	0.047	20%	0.203	C	C	.	.			trans	-131.2	124	-176.4	-165.9	-114.3	0	0	0	110.1	L789 G793 I801 D960 I973 N1037 F1039	L789-Y791 HydrophobicContact CD2-CD2 4.13Å; L789-Y791 HydrophobicContact CD2-CG 4.37Å; L789-Y791 PolarHBondContact O-N 3.38Å; Y791-G793 PolarHBondContact O-N 2.83Å; Y791-I801 WeakPolarHBondContact O-CD1 3.42Å; Y791-D960 PolarHBondContact OH-O 3.03Å; Y791-I973 HydrophobicContact CD1-CD1 4.09Å; Y791-I973 HydrophobicContact CG-CD1 4.4Å; Y791-N1037 PolarHBondContact OH-OD1 3.15Å; Y791-F1039 AromaticContact CE1-CE2 3.84Å; Y791-F1039 HydrophobicContact CE1-CE2 3.84Å; Y791-F1039 HydrophobicContact CE1-CZ 4.35Å; Y791-F1039 HydrophobicContact CE2-CE2 4.39Å; Y791-F1039 AromaticContact CZ-CD2 3.94Å; Y791-F1039 AromaticContact CZ-CE2 3.5Å; Y791-F1039 WeakPolarHBondContact OH-CD2 3.27Å; Y791-F1039 WeakPolarHBondContact OH-CE2 3.46Å
792	T	93.1	Very high	94.8	Very high	65 Å²	65	38.6 Å²	38.6	40%	0.399	20%	0.203	S	C	.	.	S	Bend	trans	57.9	-15.1	178.4	66.1	0	0	0	0	118.1	Y794 Y956 F1039	T792-Y794 WeakPolarHBondContact OG1-CD2 3.43Å; T792-Y956 VanDerWaalsContact CB-OH 3.31Å; T792-Y956 WeakPolarHBondContact CB-OH 3.3Å; T792-Y956 HydrophobicContact CG2-CE2 4.07Å; T792-Y956 WeakPolarHBondContact CG2-OH 3.13Å; T792-Y956 WeakPolarHBondContact OG1-CE2 3.44Å; T792-Y956 PolarHBondContact OG1-OH 3.46Å; T792-Y956 VanDerWaalsContact OG1-OH 3.06Å; T792-F1039 HydrophobicContact CG2-CE2 3.7Å; T792-F1039 HydrophobicContact CG2-CZ 4.14Å
793	G	92.8	Very high	94.8	Very high	25 Å²	25	38.3 Å²	38.3	26%	0.258	20%	0.202	S	C	.	.	S	Bend	trans	95.3	-14.2	179.7	0	0	0	0	0	115	Y791 N795 Q796	Y791-G793 PolarHBondContact O-N 2.83Å; G793-N795 PolarHBondContact O-N 3.21Å; G793-N795 VanDerWaalsContact O-N 3.12Å; G793-Q796 WeakPolarHBondContact O-CG 3.29Å; G793-Q796 PolarHBondContact O-N 3.1Å
794	Y	95.7	Very high	94.7	Very high	113 Å²	113	38.2 Å²	38.2	44%	0.443	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	7.4	-178.7	-65.6	-77.3	0	0	0	115.4	T792 S799 M954 Y956	T792-Y794 WeakPolarHBondContact OG1-CD2 3.43Å; Y794-S799 PolarHBondContact O-OG 3.27Å; Y794-M954 VanDerWaalsContact CB-CB 3.5Å; Y794-M954 HydrophobicContact CD1-CB 4.06Å; Y794-M954 HydrophobicContact CD1-CE 3.82Å; Y794-M954 HydrophobicContact CD2-CB 4.05Å; Y794-M954 HydrophobicContact CD2-CE 4.29Å; Y794-M954 HydrophobicContact CD2-CG 4.2Å; Y794-M954 HydrophobicContact CE1-CE 3.47Å; Y794-M954 VanDerWaalsContact CE1-CE 3.47Å; Y794-M954 HydrophobicContact CE2-CE 3.98Å; Y794-M954 HydrophobicContact CG-CB 3.62Å; Y794-M954 HydrophobicContact CG-CE 4.22Å; Y794-M954 HydrophobicContact CG-CG 4.23Å; Y794-Y956 VanDerWaalsContact CD2-OH 3.23Å; Y794-Y956 WeakPolarHBondContact CD2-OH 3.19Å; Y794-Y956 WeakPolarHBondContact CE2-OH 3.4Å
795	N	95.1	Very high	94.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	11.6	170.6	65.8	-3.8	0	0	0	113.3	L789 G793 S799 I801 N975	L789-N795 PolarHBondContact O-ND2 2.73Å; G793-N795 PolarHBondContact O-N 3.21Å; G793-N795 VanDerWaalsContact O-N 3.12Å; N795-S799 CarbonylContact C-O 3.56Å; N795-S799 VanDerWaalsContact CA-O 3.31Å; N795-S799 WeakPolarHBondContact CA-O 3.06Å; N795-S799 WeakPolarHBondContact CA-OG 3.42Å; N795-S799 WeakPolarHBondContact CB-O 3.44Å; N795-I801 HydrophobicContact CB-CD1 3.97Å; N795-I801 HydrophobicContact CB-CG1 4.01Å; N795-N975 HydrophobicContact CB-CB 4.41Å; N795-N975 WeakPolarHBondContact O-CB 3.41Å
796	Q	93.8	Very high	94.8	Very high	108 Å²	108	37.1 Å²	37.1	51%	0.505	20%	0.201	S	C	.	.			trans	-70.9	157	175.5	-68.9	178.5	-3.8	0	0	112.5	G793 D798 S799	G793-Q796 WeakPolarHBondContact O-CG 3.29Å; G793-Q796 PolarHBondContact O-N 3.1Å; Q796-D798 PolarHBondContact O-N 3.03Å; Q796-S799 PolarHBondContact N-OG 3.37Å; Q796-S799 VanDerWaalsContact N-OG 3.16Å; Q796-S799 WeakPolarHBondContact O-CB 3.47Å; Q796-S799 PolarHBondContact O-N 3.23Å; Q796-S799 PolarHBondContact O-OG 3.5Å
797	E	89.4	Confident	94.8	Very high	185 Å²	185	37.3 Å²	37.3	86%	0.864	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	60.5	173	-63.6	-59.6	139.4	0	0	114.6	S799	E797-S799 VanDerWaalsContact C-N 3.26Å; E797-S799 PolarHBondContact O-N 2.68Å
798	D	89	Confident	94.8	Very high	65 Å²	65	42 Å²	42	35%	0.348	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	28.2	-179.7	-67.5	-33.9	0	0	0	115.2	Q796 G950 T951 R982	Q796-D798 PolarHBondContact O-N 3.03Å; D798-G950 CarbonylContact O-C 3.58Å; D798-G950 WeakPolarHBondContact O-CA 3.25Å; D798-T951 PolarHBondContact O-N 2.79Å; D798-R982 IonicContact OD1-CZ 3.95Å; D798-R982 IonicContact OD1-NH1 2.93Å; D798-R982 PolarHBondContact OD1-NH1 2.8Å; D798-R982 IonicContact OD1-NH2 2.76Å; D798-R982 PolarHBondContact OD1-NH2 2.71Å; D798-R982 IonicContact OD2-CZ 3.29Å; D798-R982 IonicContact OD2-NH1 3.57Å; D798-R982 IonicContact OD2-NH2 3.83Å; D798-R982 PolarHBondContact OD2-NH2 3.38Å
799	S	95.2	Very high	95	Very high	20 Å²	20	48.9 Å²	48.9	14%	0.14	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	157.6	166.7	61.1	0	0	0	0	111.9	Y794 N795 Q796 E797 T951	Y794-S799 PolarHBondContact O-OG 3.27Å; N795-S799 CarbonylContact C-O 3.56Å; N795-S799 VanDerWaalsContact CA-O 3.31Å; N795-S799 WeakPolarHBondContact CA-O 3.06Å; N795-S799 WeakPolarHBondContact CA-OG 3.42Å; N795-S799 WeakPolarHBondContact CB-O 3.44Å; Q796-S799 PolarHBondContact N-OG 3.37Å; Q796-S799 VanDerWaalsContact N-OG 3.16Å; Q796-S799 WeakPolarHBondContact O-CB 3.47Å; Q796-S799 PolarHBondContact O-N 3.23Å; Q796-S799 PolarHBondContact O-OG 3.5Å; E797-S799 VanDerWaalsContact C-N 3.26Å; E797-S799 PolarHBondContact O-N 2.68Å; S799-T951 CarbonylContact C-O 3.51Å; S799-T951 VanDerWaalsContact CA-O 3.23Å; S799-T951 WeakPolarHBondContact CA-O 3.32Å
800	V	96.4	Very high	95.1	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.7	175.7	-61	0	0	0	0	109.7	M802 T951 I952 G953 I972 I974	V800-M802 HydrophobicContact CG2-CG 4.27Å; V800-T951 PolarHBondContact N-O 3.41Å; V800-I952 HydrophobicContact CG2-CG1 4.44Å; V800-I952 WeakPolarHBondContact O-CA 3.47Å; V800-G953 PolarHBondContact O-N 2.97Å; V800-I972 HydrophobicContact CB-CG2 3.95Å; V800-I972 HydrophobicContact CG1-CG2 4.26Å; V800-I972 HydrophobicContact CG2-CG2 4.43Å; V800-I974 HydrophobicContact CG1-CG2 4Å
801	I	97.7	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.5	169.3	-69.2	160.2	0	0	0	107.4	Y791 N795 M954 Y956 M961 I972 I973	Y791-I801 WeakPolarHBondContact O-CD1 3.42Å; N795-I801 HydrophobicContact CB-CD1 3.97Å; N795-I801 HydrophobicContact CB-CG1 4.01Å; I801-M954 WeakPolarHBondContact CA-O 3.25Å; I801-Y956 HydrophobicContact CD1-CE2 4.28Å; I801-Y956 HydrophobicContact CG2-CD2 3.5Å; I801-Y956 HydrophobicContact CG2-CE2 3.98Å; I801-M961 HydrophobicContact CG2-SD 4.26Å; I801-I972 CarbonylContact O-C 3.55Å; I801-I972 WeakPolarHBondContact O-CA 3.2Å; I801-I973 HydrophobicContact CB-CB 4.2Å; I801-I973 HydrophobicContact CG2-CD1 4.38Å; I801-I973 PolarHBondContact N-O 3.18Å; I801-I973 VanDerWaalsContact N-O 3.14Å; I801-I973 PolarHBondContact O-N 2.95Å
802	M	96.9	Very high	95.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.4	178	-67.6	-166.7	79.3	0	0	112.5	V800 S804 I807 L811 F812 F942 I952 M954 T955 Y956 D971 I972	V800-M802 HydrophobicContact CG2-CG 4.27Å; M802-S804 PolarHBondContact O-N 2.9Å; M802-I807 HydrophobicContact CB-CD1 4.07Å; M802-L811 HydrophobicContact CE-CD2 3.89Å; M802-F812 HydrophobicContact CE-CD2 3.86Å; M802-F812 HydrophobicContact CE-CE2 4.17Å; M802-F942 HydrophobicContact CE-CE1 4.24Å; M802-F942 HydrophobicContact CE-CZ 4.39Å; M802-F942 HydrophobicContact SD-CD2 4.2Å; M802-F942 HydrophobicContact SD-CE1 4.37Å; M802-F942 HydrophobicContact SD-CE2 3.99Å; M802-F942 HydrophobicContact SD-CZ 4.06Å; M802-I952 HydrophobicContact CG-CD1 4.14Å; M802-I952 HydrophobicContact CG-CG1 4.06Å; M802-I952 HydrophobicContact SD-CD1 3.23Å; M802-I952 WeakPolarHBondContact SD-CD1 3.48Å; M802-I952 HydrophobicContact SD-CG1 3.49Å; M802-I952 WeakPolarHBondContact SD-CG1 3.3Å; M802-M954 PolarHBondContact N-O 2.85Å; M802-T955 HydrophobicContact CB-CG2 4.5Å; M802-T955 VanDerWaalsContact O-CA 3.25Å; M802-T955 WeakPolarHBondContact O-CA 3.11Å; M802-Y956 PolarHBondContact O-N 3.06Å; M802-D971 CarbonylContact C-O 3.52Å; M802-D971 WeakPolarHBondContact CA-O 3.45Å; M802-I972 HydrophobicContact CE-CD1 3.97Å; M802-I972 HydrophobicContact CE-CG1 3.88Å; M802-I972 HydrophobicContact CG-CG1 4.26Å
803	N	97.5	Very high	95.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	109.9	176.2	-168.2	-26	0	0	0	111	S805 A806 I807 Y956 M961 T969 P970 D971	N803-S805 VanDerWaalsContact C-N 3.29Å; N803-S805 PolarHBondContact O-N 3.46Å; N803-S805 WeakPolarHBondContact OD1-CB 3.43Å; N803-S805 PolarHBondContact OD1-N 2.9Å; N803-A806 HydrophobicContact CB-CB 3.89Å; N803-A806 WeakPolarHBondContact O-CB 2.89Å; N803-A806 PolarHBondContact O-N 3.19Å; N803-A806 VanDerWaalsContact O-N 3.15Å; N803-A806 PolarHBondContact OD1-N 2.89Å; N803-I807 WeakPolarHBondContact O-CG1 3.27Å; N803-I807 PolarHBondContact O-N 2.91Å; N803-Y956 CarbonylContact C-O 3.45Å; N803-Y956 WeakPolarHBondContact CA-O 3.26Å; N803-M961 HydrophobicContact CB-CE 4.1Å; N803-M961 HydrophobicContact CB-CG 4.48Å; N803-T969 PolarHBondContact ND2-OG1 3.4Å; N803-P970 PolarHBondContact ND2-O 3.17Å; N803-D971 PolarHBondContact N-O 3.39Å
804	S	97.2	Very high	95.8	Very high	25 Å²	25	43.2 Å²	43.2	18%	0.175	20%	0.204	C	C	.	.	H	α-helix	trans	-57.2	-41.9	176.3	-168.1	0	0	0	0	111.6	M802 A806 I807 D808 Y956	M802-S804 PolarHBondContact O-N 2.9Å; S804-A806 VanDerWaalsContact C-N 3.26Å; S804-A806 PolarHBondContact O-N 3.46Å; S804-I807 WeakPolarHBondContact O-CB 3.46Å; S804-I807 PolarHBondContact O-N 3.44Å; S804-I807 VanDerWaalsContact O-N 3.13Å; S804-D808 VanDerWaalsContact O-CG 3.22Å; S804-D808 PolarHBondContact O-N 3.34Å; S804-Y956 WeakPolarHBondContact CB-O 3.16Å; S804-Y956 PolarHBondContact N-O 2.93Å
805	S	97.6	Very high	95.9	Very high	20 Å²	20	38.6 Å²	38.6	14%	0.14	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-32.2	179.6	-56.9	0	0	0	0	111.9	N803 R809 Q958	N803-S805 VanDerWaalsContact C-N 3.29Å; N803-S805 PolarHBondContact O-N 3.46Å; N803-S805 WeakPolarHBondContact OD1-CB 3.43Å; N803-S805 PolarHBondContact OD1-N 2.9Å; S805-R809 WeakPolarHBondContact O-CD 3.5Å; S805-R809 VanDerWaalsContact O-CG 3.25Å; S805-R809 WeakPolarHBondContact O-CG 3.34Å; S805-R809 PolarHBondContact O-N 3.32Å; S805-R809 VanDerWaalsContact O-N 3.13Å; S805-Q958 WeakPolarHBondContact OG-CB 3.26Å; S805-Q958 PolarHBondContact OG-N 3.45Å
806	A	97.2	Very high	95.9	Very high	9 Å²	9	38.9 Å²	38.9	7%	0.074	19%	0.189	C	C	.	.	H	α-helix	trans	-70.3	-41	172.7	0	0	0	0	0	111.6	N803 S804 D808 R809 G810 L811 D971	N803-A806 HydrophobicContact CB-CB 3.89Å; N803-A806 WeakPolarHBondContact O-CB 2.89Å; N803-A806 PolarHBondContact O-N 3.19Å; N803-A806 VanDerWaalsContact O-N 3.15Å; N803-A806 PolarHBondContact OD1-N 2.89Å; S804-A806 VanDerWaalsContact C-N 3.26Å; S804-A806 PolarHBondContact O-N 3.46Å; A806-D808 VanDerWaalsContact C-N 3.29Å; A806-D808 PolarHBondContact O-N 2.94Å; A806-R809 WeakPolarHBondContact O-CB 3.41Å; A806-R809 PolarHBondContact O-N 3.04Å; A806-G810 PolarHBondContact O-N 3.02Å; A806-G810 VanDerWaalsContact O-N 3.16Å; A806-L811 VanDerWaalsContact C-CB 3.46Å; A806-L811 HydrophobicContact CB-CB 4.06Å; A806-L811 HydrophobicContact CB-CD2 3.77Å; A806-L811 HydrophobicContact CB-CG 4.48Å; A806-L811 WeakPolarHBondContact O-CB 3.42Å; A806-L811 PolarHBondContact O-N 3.38Å; A806-D971 WeakPolarHBondContact CB-OD1 3.43Å
807	I	97.2	Very high	96	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-40.1	173.6	-66.2	167.3	0	0	0	111	M802 N803 S804 R809 G810 R813 V935 P936 T955	M802-I807 HydrophobicContact CB-CD1 4.07Å; N803-I807 WeakPolarHBondContact O-CG1 3.27Å; N803-I807 PolarHBondContact O-N 2.91Å; S804-I807 WeakPolarHBondContact O-CB 3.46Å; S804-I807 PolarHBondContact O-N 3.44Å; S804-I807 VanDerWaalsContact O-N 3.13Å; I807-R809 VanDerWaalsContact C-N 3.31Å; I807-R809 PolarHBondContact O-N 3.47Å; I807-G810 PolarHBondContact O-N 2.85Å; I807-R813 PolarHBondContact O-NE 3.3Å; I807-R813 VanDerWaalsContact O-NE 3.15Å; I807-R813 PolarHBondContact O-NH2 3.38Å; I807-V935 HydrophobicContact CG2-CG1 3.46Å; I807-V935 VanDerWaalsContact CG2-CG1 3.46Å; I807-P936 HydrophobicContact CD1-CB 4.14Å; I807-P936 HydrophobicContact CG1-CB 4.23Å; I807-P936 HydrophobicContact CG2-CB 4.28Å; I807-P936 HydrophobicContact CG2-CG 4.4Å; I807-T955 HydrophobicContact CD1-CG2 3.92Å
808	D	97.1	Very high	96.2	Very high	98 Å²	98	27.8 Å²	27.8	52%	0.524	14%	0.135	S	C	.	.	H	α-helix	trans	-65	-34.9	177	-69.1	-29	0	0	0	112.4	S804 A806 G810 R813	S804-D808 VanDerWaalsContact O-CG 3.22Å; S804-D808 PolarHBondContact O-N 3.34Å; A806-D808 VanDerWaalsContact C-N 3.29Å; A806-D808 PolarHBondContact O-N 2.94Å; D808-G810 PolarHBondContact O-N 2.87Å; D808-R813 VanDerWaalsContact C-NH2 3.33Å; D808-R813 VanDerWaalsContact CA-NH2 3.34Å; D808-R813 PolarHBondContact O-NH2 2.88Å
809	R	97.2	Very high	96.5	Very high	169 Å²	169	25.4 Å²	25.4	64%	0.638	12%	0.123	S	C	*	.	H	α-helix	trans	-73.4	-12.4	172.3	-69.1	167.1	-173.4	159	7.2	113.6	S805 A806 I807	S805-R809 WeakPolarHBondContact O-CD 3.5Å; S805-R809 VanDerWaalsContact O-CG 3.25Å; S805-R809 WeakPolarHBondContact O-CG 3.34Å; S805-R809 PolarHBondContact O-N 3.32Å; S805-R809 VanDerWaalsContact O-N 3.13Å; A806-R809 WeakPolarHBondContact O-CB 3.41Å; A806-R809 PolarHBondContact O-N 3.04Å; I807-R809 VanDerWaalsContact C-N 3.31Å; I807-R809 PolarHBondContact O-N 3.47Å
810	G	95.7	Very high	96.4	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.031	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	115.6	8.2	175.3	0	0	0	0	0	115.7	A806 I807 D808 F812 R813	A806-G810 PolarHBondContact O-N 3.02Å; A806-G810 VanDerWaalsContact O-N 3.16Å; I807-G810 PolarHBondContact O-N 2.85Å; D808-G810 PolarHBondContact O-N 2.87Å; G810-F812 PolarHBondContact O-N 3.39Å; G810-R813 PolarHBondContact O-N 3.22Å
811	L	96.6	Very high	96.3	Very high	20 Å²	20	32.5 Å²	32.5	11%	0.105	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	123.3	177	-176.1	70.4	0	0	0	110.3	I782 M802 A806 R813 P936 D971	I782-L811 HydrophobicContact CD1-CD1 4.36Å; I782-L811 HydrophobicContact CG2-CD1 4.03Å; M802-L811 HydrophobicContact CE-CD2 3.89Å; A806-L811 VanDerWaalsContact C-CB 3.46Å; A806-L811 HydrophobicContact CB-CB 4.06Å; A806-L811 HydrophobicContact CB-CD2 3.77Å; A806-L811 HydrophobicContact CB-CG 4.48Å; A806-L811 WeakPolarHBondContact O-CB 3.42Å; A806-L811 PolarHBondContact O-N 3.38Å; L811-R813 PolarHBondContact O-N 2.82Å; L811-P936 WeakPolarHBondContact O-CG 3.37Å; L811-D971 HydrophobicContact CD2-CB 3.97Å
812	F	97.1	Very high	96.1	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	17.2	-180	-65.5	-68.2	0	0	0	117	I782 M802 G810 S814 P936 F942 I972 Y1060 R1062	I782-F812 HydrophobicContact CB-CD1 4.17Å; I782-F812 HydrophobicContact CB-CE1 3.54Å; I782-F812 HydrophobicContact CB-CE2 4.45Å; I782-F812 HydrophobicContact CB-CZ 3.68Å; I782-F812 HydrophobicContact CD1-CB 4.48Å; I782-F812 HydrophobicContact CD1-CD1 3.64Å; I782-F812 HydrophobicContact CD1-CE1 3.95Å; I782-F812 HydrophobicContact CD1-CG 3.99Å; I782-F812 HydrophobicContact CG1-CD1 3.79Å; I782-F812 HydrophobicContact CG1-CE1 3.62Å; I782-F812 HydrophobicContact CG1-CZ 4.24Å; M802-F812 HydrophobicContact CE-CD2 3.86Å; M802-F812 HydrophobicContact CE-CE2 4.17Å; G810-F812 PolarHBondContact O-N 3.39Å; F812-S814 PolarHBondContact O-N 2.71Å; F812-P936 HydrophobicContact CB-CG 3.8Å; F812-F942 HydrophobicContact CB-CE1 3.87Å; F812-F942 HydrophobicContact CB-CZ 4.41Å; F812-F942 HydrophobicContact CD1-CE1 4.24Å; F812-F942 HydrophobicContact CD2-CD1 4.22Å; F812-F942 AromaticContact CD2-CE1 3.64Å; F812-F942 HydrophobicContact CD2-CE1 3.64Å; F812-F942 HydrophobicContact CE2-CD1 4.38Å; F812-F942 HydrophobicContact CE2-CE1 4.24Å; F812-F942 HydrophobicContact CG-CD1 4.44Å; F812-F942 AromaticContact CG-CE1 3.68Å; F812-F942 HydrophobicContact CG-CE1 3.68Å; F812-I972 HydrophobicContact CE2-CD1 4.35Å; F812-Y1060 VanDerWaalsContact CE1-O 3.3Å; F812-Y1060 WeakPolarHBondContact CE1-O 3.35Å; F812-R1062 HydrophobicContact CB-CB 4.44Å; F812-R1062 HydrophobicContact CD1-CB 4Å; F812-R1062 HydrophobicContact CG-CB 4.44Å; F812-R1062 VanDerWaalsContact O-CD 3.3Å; F812-R1062 WeakPolarHBondContact O-CD 3.06Å; F812-R1062 PolarHBondContact O-NH1 3.29Å
813	R	96.9	Very high	95.8	Very high	54 Å²	54	37.1 Å²	37.1	20%	0.204	17%	0.168	C	C	.	.			trans	-60	137.7	172.6	-72.8	-172.1	-174.4	168.8	-1.3	110.5	W758 I807 D808 G810 L811	W758-R813 HydrophobicContact CD2-CB 3.77Å; W758-R813 HydrophobicContact CE3-CB 3.99Å; W758-R813 HydrophobicContact CG-CB 4.03Å; W758-R813 PolarHBondContact N-O 3.31Å; I807-R813 PolarHBondContact O-NE 3.3Å; I807-R813 VanDerWaalsContact O-NE 3.15Å; I807-R813 PolarHBondContact O-NH2 3.38Å; D808-R813 VanDerWaalsContact C-NH2 3.33Å; D808-R813 VanDerWaalsContact CA-NH2 3.34Å; D808-R813 PolarHBondContact O-NH2 2.88Å; G810-R813 PolarHBondContact O-N 3.22Å; L811-R813 PolarHBondContact O-N 2.82Å
814	S	96.3	Very high	95.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.9	178.1	65.2	0	0	0	0	111.4	V756 F812 R934 R1062	V756-S814 CarbonylContact O-C 3.6Å; V756-S814 WeakPolarHBondContact O-CA 3.35Å; V756-S814 WeakPolarHBondContact O-CB 3.47Å; F812-S814 PolarHBondContact O-N 2.71Å; S814-R934 PolarHBondContact N-O 3.13Å; S814-R934 VanDerWaalsContact N-O 3.15Å; S814-R934 PolarHBondContact O-N 3.03Å; S814-R1062 PolarHBondContact OG-NH1 3.04Å
815	T	95.8	Very high	94.7	Very high	16 Å²	16	37.7 Å²	37.7	10%	0.098	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.1	169	-56	0	0	0	0	108.3	V756 W758 Y817 R931	V756-T815 PolarHBondContact N-O 2.82Å; V756-T815 PolarHBondContact O-N 2.85Å; W758-T815 PolarHBondContact NE1-OG1 3.07Å; T815-Y817 HydrophobicContact CG2-CD2 4.18Å; T815-Y817 HydrophobicContact CG2-CE1 3.97Å; T815-Y817 HydrophobicContact CG2-CE2 3.6Å; T815-Y817 VanDerWaalsContact CG2-CZ 3.48Å; T815-R931 HydrophobicContact CG2-CB 4.08Å
816	F	95.4	Very high	93.5	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.7	172.4	174.8	-117.5	0	0	0	109.3	L753 A754 H755 R818 R931 S932 R934	L753-F816 HydrophobicContact CD2-CE2 3.82Å; L753-F816 HydrophobicContact CD2-CZ 3.58Å; A754-F816 WeakPolarHBondContact O-CA 3.41Å; H755-F816 AromaticContact CE1-CD2 3.16Å; H755-F816 WeakPolarHBondContact CE1-CD2 3.44Å; H755-F816 AromaticContact CE1-CE2 3.67Å; H755-F816 AromaticContact ND1-CD2 3.57Å; H755-F816 AromaticContact NE2-CD2 3.55Å; H755-F816 AromaticContact NE2-CE2 3.64Å; F816-R818 HydrophobicContact CE1-CB 4.05Å; F816-R818 HydrophobicContact CZ-CB 4.14Å; F816-R931 CarbonylContact O-C 3.52Å; F816-R931 WeakPolarHBondContact O-CA 3.37Å; F816-S932 PolarHBondContact N-O 3.33Å; F816-S932 PolarHBondContact O-N 3.2Å; F816-R934 HydrophobicContact CB-CG 3.97Å
817	Y	95.7	Very high	91.8	Very high	36 Å²	36	49.1 Å²	49.1	14%	0.141	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.3	173	-60.9	-86.3	0	0	0	109.7	F746 L753 A754 V756 T815 R929 V930 R931	F746-Y817 HydrophobicContact CD2-CE2 4.41Å; F746-Y817 HydrophobicContact CE2-CE2 4.29Å; L753-Y817 WeakPolarHBondContact CA-O 3.45Å; A754-Y817 HydrophobicContact CB-CD2 4.47Å; A754-Y817 PolarHBondContact N-O 3.32Å; A754-Y817 PolarHBondContact O-N 3.19Å; V756-Y817 HydrophobicContact CG2-CD2 4.47Å; V756-Y817 HydrophobicContact CG2-CE2 4.19Å; T815-Y817 HydrophobicContact CG2-CD2 4.18Å; T815-Y817 HydrophobicContact CG2-CE1 3.97Å; T815-Y817 HydrophobicContact CG2-CE2 3.6Å; T815-Y817 VanDerWaalsContact CG2-CZ 3.48Å; Y817-R929 HydrophobicContact CD1-CG 4.16Å; Y817-V930 WeakPolarHBondContact CA-O 3.37Å; Y817-R931 HydrophobicContact CD1-CB 3.81Å; Y817-R931 HydrophobicContact CE1-CB 3.72Å
818	R	94.6	Very high	90.2	Very high	25 Å²	25	54.7 Å²	54.7	9%	0.094	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.9	169.2	178	166.7	-71.5	-174.3	9.4	110.6	T752 L753 F816 Y820 R904 E907 R929 V930	T752-R818 WeakPolarHBondContact O-CA 3.43Å; L753-R818 HydrophobicContact CD2-CG 4.37Å; F816-R818 HydrophobicContact CE1-CB 4.05Å; F816-R818 HydrophobicContact CZ-CB 4.14Å; R818-Y820 HydrophobicContact CB-CE2 4.39Å; R818-Y820 WeakPolarHBondContact CD-OH 3.37Å; R818-Y820 HydrophobicContact CG-CD2 4.18Å; R818-Y820 HydrophobicContact CG-CE2 3.68Å; R818-R904 VanDerWaalsContact NH1-NE 3.11Å; R818-E907 WeakPolarHBondContact CD-OE2 3.44Å; R818-E907 IonicContact CZ-OE1 3.99Å; R818-E907 IonicContact CZ-OE2 3.13Å; R818-E907 VanDerWaalsContact CZ-OE2 3.29Å; R818-E907 IonicContact NE-OE1 3.07Å; R818-E907 IonicContact NE-OE2 2.93Å; R818-E907 IonicContact NH1-OE1 3.85Å; R818-E907 PolarHBondContact NH1-OE1 3.42Å; R818-E907 IonicContact NH1-OE2 3.41Å; R818-E907 PolarHBondContact NH1-OE2 3.26Å; R818-E907 IonicContact NH2-OE1 3.76Å; R818-E907 PolarHBondContact NH2-OE1 3.14Å; R818-R929 CarbonylContact O-C 3.57Å; R818-R929 WeakPolarHBondContact O-CA 3.29Å; R818-V930 PolarHBondContact N-O 3.18Å; R818-V930 PolarHBondContact O-N 2.92Å
819	S	94.6	Very high	88.8	Confident	14 Å²	14	57.8 Å²	57.8	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.2	175.1	-53.3	0	0	0	0	110.4	D751 T752 V928	D751-S819 VanDerWaalsContact O-CB 3.23Å; D751-S819 WeakPolarHBondContact O-CB 3.45Å; D751-S819 PolarHBondContact O-OG 3.36Å; T752-S819 PolarHBondContact O-N 3.06Å; T752-S819 VanDerWaalsContact O-N 3.12Å; S819-V928 CarbonylContact C-O 3.3Å; S819-V928 WeakPolarHBondContact CA-O 3.32Å
820	Y	94.5	Very high	87.4	Confident	26 Å²	26	57.8 Å²	57.8	10%	0.102	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	147.2	167.7	-67.5	-94.1	0	0	0	108.8	R818 I872 T901 L903 E907 K927 V928 V930	R818-Y820 HydrophobicContact CB-CE2 4.39Å; R818-Y820 WeakPolarHBondContact CD-OH 3.37Å; R818-Y820 HydrophobicContact CG-CD2 4.18Å; R818-Y820 HydrophobicContact CG-CE2 3.68Å; Y820-I872 VanDerWaalsContact CB-CD1 3.44Å; Y820-I872 HydrophobicContact CD1-CD1 3.71Å; Y820-I872 HydrophobicContact CD2-CD1 3.53Å; Y820-I872 HydrophobicContact CE1-CD1 4.32Å; Y820-I872 HydrophobicContact CE2-CD1 4.19Å; Y820-I872 HydrophobicContact CG-CD1 3.26Å; Y820-T901 HydrophobicContact CD1-CG2 4.24Å; Y820-L903 HydrophobicContact CD2-CD1 4.47Å; Y820-L903 HydrophobicContact CE2-CD1 3.53Å; Y820-L903 WeakPolarHBondContact OH-CD1 3.45Å; Y820-E907 PolarHBondContact OH-OE2 3.46Å; Y820-E907 VanDerWaalsContact OH-OE2 3.05Å; Y820-K927 CarbonylContact O-C 3.54Å; Y820-K927 VanDerWaalsContact O-CA 3.27Å; Y820-K927 WeakPolarHBondContact O-CA 3.43Å; Y820-V928 PolarHBondContact N-O 3.26Å; Y820-V928 PolarHBondContact O-N 3.08Å; Y820-V930 HydrophobicContact CD2-CG2 4.36Å; Y820-V930 HydrophobicContact CE2-CG2 4.4Å
821	R	93	Very high	86.5	Confident	152 Å²	152	61 Å²	61	57%	0.574	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	142	178.4	67.3	-178.1	-179.4	-178.7	-0.5	110	F925 V926 K927	R821-F925 HydrophobicContact CB-CE2 3.98Å; R821-F925 HydrophobicContact CB-CZ 3.86Å; R821-V926 VanDerWaalsContact CA-O 3.27Å; R821-V926 WeakPolarHBondContact CA-O 3.45Å; R821-K927 HydrophobicContact CB-CG 4Å
822	D	93.5	Very high	85.9	Confident	23 Å²	23	63.6 Å²	63.6	12%	0.123	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	162.7	172.2	-145.6	-29.8	0	0	0	109.6	I873 K875 T901 F925 V926	D822-I873 HydrophobicContact CB-CD1 3.7Å; D822-I873 HydrophobicContact CB-CG2 4.14Å; D822-K875 IonicContact OD1-NZ 3.32Å; D822-K875 PolarHBondContact OD1-NZ 3.12Å; D822-K875 VanDerWaalsContact OD1-NZ 3.11Å; D822-T901 PolarHBondContact OD2-OG1 2.92Å; D822-F925 VanDerWaalsContact O-CD2 3.23Å; D822-F925 WeakPolarHBondContact O-CD2 3.41Å; D822-V926 PolarHBondContact N-O 3.3Å; D822-V926 PolarHBondContact O-N 2.84Å
823	Q	91.1	Very high	85.6	Confident	74 Å²	74	65.2 Å²	65.2	35%	0.346	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.5	179.9	74	-176.1	7	0	0	110.6	K875 N919 K924 F925	Q823-K875 PolarHBondContact O-NZ 2.97Å; Q823-N919 PolarHBondContact OE1-ND2 3.46Å; Q823-K924 WeakPolarHBondContact CA-O 3.46Å; Q823-F925 HydrophobicContact CB-CD2 3.91Å
824	E	90.7	Very high	85.3	Confident	29 Å²	29	64.7 Å²	64.7	14%	0.136	30%	0.299	C	S	.	.			trans	-74.5	124.3	164.8	-67	176.8	173.6	0	0	108.3	E833 I835 N923 K924	E824-E833 VanDerWaalsContact CB-O 3.32Å; E824-E833 WeakPolarHBondContact CB-O 3.46Å; E824-E833 WeakPolarHBondContact CG-O 3.42Å; E824-I835 HydrophobicContact CG-CB 4.43Å; E824-I835 HydrophobicContact CG-CD1 3.94Å; E824-I835 HydrophobicContact CG-CG1 3.73Å; E824-I835 PolarHBondContact OE1-N 3.01Å; E824-N923 HydrophobicContact CB-CB 4.41Å; E824-N923 WeakPolarHBondContact O-CB 3.43Å; E824-N923 PolarHBondContact O-ND2 3.33Å; E824-K924 HydrophobicContact CG-CB 4.1Å; E824-K924 PolarHBondContact N-O 2.94Å; E824-K924 WeakPolarHBondContact OE2-CB 3.46Å
825	A	81.7	Confident	85.2	Confident	9 Å²	9	65.2 Å²	65.2	7%	0.074	30%	0.301	C	S	.	.			trans	-111.9	105.2	172.7	0	0	0	0	0	109.2	R827 E833	A825-R827 HydrophobicContact CB-CG 4.08Å; A825-R827 PolarHBondContact O-N 3.36Å; A825-E833 WeakPolarHBondContact CB-OE2 3.03Å; A825-E833 PolarHBondContact N-OE2 3.34Å; A825-E833 VanDerWaalsContact N-OE2 3.16Å; A825-E833 WeakPolarHBondContact O-CG 3.42Å
826	N	71.7	Confident	85	Confident	83 Å²	83	66.7 Å²	66.7	44%	0.444	31%	0.307	S	S	.	.			trans	-79.8	69.9	169.9	-68.4	11.9	0	0	0	108.5	D828 E832	N826-D828 PolarHBondContact O-N 3.15Å; N826-E832 PolarHBondContact ND2-OE1 3.32Å
827	R	61.7	Low	84.9	Confident	187 Å²	187	70.6 Å²	70.6	71%	0.706	32%	0.324	S	S	*	.			trans	-91.6	94.8	175.9	-75	179.6	170.3	-173.7	-2	107.8	A825	A825-R827 HydrophobicContact CB-CG 4.08Å; A825-R827 PolarHBondContact O-N 3.36Å
828	D	63.8	Low	84.8	Confident	122 Å²	122	69.2 Å²	69.2	65%	0.652	32%	0.319	S	S	*	.	S	Bend	trans	67.5	140.1	-172.8	-51.7	-39.9	0	0	0	113.3	N826 Y830 N831	N826-D828 PolarHBondContact O-N 3.15Å; D828-Y830 PolarHBondContact O-N 2.89Å; D828-N831 PolarHBondContact O-N 3.16Å; D828-N831 VanDerWaalsContact O-N 3.13Å
829	N	66.6	Low	84.6	Confident	163 Å²	163	69.7 Å²	69.7	87%	0.872	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-18	-176	-74.1	-4.2	0	0	0	114
830	Y	68.6	Low	84.3	Confident	170 Å²	170	77.1 Å²	77.1	67%	0.667	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-22.3	-177.2	-62.7	-77.5	0	0	0	114.5	D828	D828-Y830 PolarHBondContact O-N 2.89Å
831	N	75.9	Confident	83.9	Confident	69 Å²	69	81.7 Å²	81.7	37%	0.369	38%	0.379	S	S	.	.	S	Bend	trans	-121.5	47.4	-176.2	-63.3	-44.4	0	0	0	110.3	D828 E833 I877	D828-N831 PolarHBondContact O-N 3.16Å; D828-N831 VanDerWaalsContact O-N 3.13Å; N831-E833 PolarHBondContact O-N 3.45Å; N831-I877 HydrophobicContact CB-CG2 4.27Å
832	E	84.5	Confident	83.6	Confident	75 Å²	75	79 Å²	79	35%	0.35	37%	0.373	S	S	.	.			trans	-60.9	126.9	176.5	-168.2	171.2	-151.2	0	0	109.9	N826 L834 M878	N826-E832 PolarHBondContact ND2-OE1 3.32Å; E832-L834 HydrophobicContact CG-CD2 4.23Å; E832-L834 HydrophobicContact CG-CG 4.28Å; E832-M878 HydrophobicContact CB-CG 4.41Å; E832-M878 PolarHBondContact O-N 3.35Å
833	E	90.5	Very high	83.3	Confident	36 Å²	36	78.1 Å²	78.1	17%	0.168	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.1	177	-58.2	-175.7	158.5	0	0	109	E824 A825 N831 K875 T876 I877	E824-E833 VanDerWaalsContact CB-O 3.32Å; E824-E833 WeakPolarHBondContact CB-O 3.46Å; E824-E833 WeakPolarHBondContact CG-O 3.42Å; A825-E833 WeakPolarHBondContact CB-OE2 3.03Å; A825-E833 PolarHBondContact N-OE2 3.34Å; A825-E833 VanDerWaalsContact N-OE2 3.16Å; A825-E833 WeakPolarHBondContact O-CG 3.42Å; N831-E833 PolarHBondContact O-N 3.45Å; E833-K875 VanDerWaalsContact CD-CE 3.45Å; E833-K875 IonicContact OE1-NZ 2.69Å; E833-K875 WeakPolarHBondContact OE2-CE 3.48Å; E833-K875 IonicContact OE2-NZ 3.47Å; E833-K875 PolarHBondContact OE2-NZ 3.12Å; E833-T876 CarbonylContact C-O 3.51Å; E833-T876 VanDerWaalsContact CA-O 3.32Å; E833-T876 WeakPolarHBondContact CA-O 3.12Å; E833-I877 HydrophobicContact CG-CG1 4.13Å; E833-I877 HydrophobicContact CG-CG2 4.46Å
834	L	91.3	Very high	83.3	Confident	43 Å²	43	79.1 Å²	79.1	23%	0.225	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.7	-179.1	-65.8	172.6	0	0	0	110.9	E832 K875 T876 M878	E832-L834 HydrophobicContact CG-CD2 4.23Å; E832-L834 HydrophobicContact CG-CG 4.28Å; L834-K875 WeakPolarHBondContact O-CA 3.49Å; L834-T876 PolarHBondContact N-O 2.96Å; L834-T876 PolarHBondContact O-N 2.85Å; L834-M878 HydrophobicContact CD1-CE 3.82Å
835	I	93.4	Very high	83	Confident	10 Å²	10	80.3 Å²	80.3	5%	0.051	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	104.4	169.9	-62	172	0	0	0	107.8	E824 D857 I859 I873 G874 V926	E824-I835 HydrophobicContact CG-CB 4.43Å; E824-I835 HydrophobicContact CG-CD1 3.94Å; E824-I835 HydrophobicContact CG-CG1 3.73Å; E824-I835 PolarHBondContact OE1-N 3.01Å; I835-D857 CarbonylContact C-O 3.51Å; I835-I859 HydrophobicContact CG2-CD1 4.22Å; I835-I859 HydrophobicContact CG2-CG1 3.84Å; I835-I873 HydrophobicContact CG2-CG2 4.14Å; I835-G874 WeakPolarHBondContact CA-O 3.42Å; I835-G874 WeakPolarHBondContact CG2-O 3.27Å; I835-V926 HydrophobicContact CD1-CB 4.41Å; I835-V926 HydrophobicContact CD1-CG2 3.6Å
836	E	92.8	Very high	83.4	Confident	47 Å²	47	81.7 Å²	81.7	22%	0.22	40%	0.398	C	S	.	.	S	Bend	trans	-151.6	166.9	-178.9	62.8	173.7	-173.4	0	0	109.6	P838 G858 G874 T876 K896	E836-P838 WeakPolarHBondContact O-CD 2.99Å; E836-G858 VanDerWaalsContact C-CA 3.46Å; E836-G874 PolarHBondContact N-O 3Å; E836-G874 CarbonylContact O-C 3.51Å; E836-G874 VanDerWaalsContact O-C 3.3Å; E836-T876 HydrophobicContact CG-CG2 3.9Å; E836-T876 WeakPolarHBondContact CG-OG1 3.33Å; E836-T876 WeakPolarHBondContact OE1-CB 3.43Å; E836-T876 WeakPolarHBondContact OE1-CG2 3.33Å; E836-T876 PolarHBondContact OE1-OG1 3.42Å; E836-K896 WeakPolarHBondContact OE1-CD 3.28Å; E836-K896 WeakPolarHBondContact OE1-CE 3.39Å; E836-K896 IonicContact OE1-NZ 3.92Å; E836-K896 PolarHBondContact OE1-NZ 3.13Å; E836-K896 IonicContact OE2-NZ 2.79Å; E836-K896 PolarHBondContact OE2-NZ 3.46Å
837	K	94	Very high	84	Confident	89 Å²	89	85.2 Å²	85.2	39%	0.387	41%	0.405	S	S	.	.			trans	-72.7	113.9	176.2	-171.3	167.3	-173.8	157.8	0	110.8	L854	K837-L854 WeakPolarHBondContact CE-O 3.32Å; K837-L854 HydrophobicContact CG-CB 4.49Å; K837-L854 PolarHBondContact NZ-O 3.42Å
838	P	92.7	Very high	85.1	Confident	7 Å²	7	85.8 Å²	85.8	5%	0.045	42%	0.416	C	S	.	.			trans	-67.5	137.6	179.3	-17.1	32	0	0	0	110.9	E836 C843 M846 Y851 T876 S900	E836-P838 WeakPolarHBondContact O-CD 2.99Å; P838-C843 HydrophobicContact CB-CB 4.44Å; P838-M846 HydrophobicContact CB-CE 3.97Å; P838-M846 HydrophobicContact CB-SD 4.27Å; P838-Y851 HydrophobicContact CB-CD1 4.33Å; P838-Y851 HydrophobicContact CB-CE1 4.44Å; P838-Y851 HydrophobicContact CG-CD1 4.05Å; P838-Y851 HydrophobicContact CG-CE1 4.2Å; P838-T876 HydrophobicContact CB-CG2 4.06Å; P838-T876 HydrophobicContact CG-CG2 4.07Å; P838-S900 WeakPolarHBondContact CG-OG 3.24Å
839	S	90.3	Very high	86.2	Confident	36 Å²	36	80.5 Å²	80.5	25%	0.252	39%	0.389	S	S	.	.			trans	-112.8	140.9	176.7	69.8	0	0	0	0	110.9	D841 Q842 C843	S839-D841 PolarHBondContact O-N 3.07Å; S839-D841 VanDerWaalsContact O-N 3.15Å; S839-Q842 PolarHBondContact O-N 3.42Å; S839-Q842 WeakPolarHBondContact OG-CB 3.42Å; S839-Q842 WeakPolarHBondContact OG-CG 3.34Å; S839-Q842 PolarHBondContact OG-N 2.66Å; S839-C843 VanDerWaalsContact O-CB 3.26Å; S839-C843 WeakPolarHBondContact O-CB 3.47Å; S839-C843 PolarHBondContact O-N 3.31Å
840	R	87.5	Confident	87.2	Confident	170 Å²	170	78.1 Å²	78.1	64%	0.642	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.9	-179.8	-72.2	-176.3	177.1	176.5	2.6	113.3	M846 F894	R840-M846 WeakPolarHBondContact CA-SD 3.42Å; R840-M846 HydrophobicContact CB-SD 4.15Å; R840-M846 HydrophobicContact CG-CE 4.13Å; R840-M846 HydrophobicContact CG-SD 3.59Å; R840-M846 VanDerWaalsContact CG-SD 3.59Å; R840-M846 PolarHBondContact N-SD 3.31Å; R840-M846 VanDerWaalsContact N-SD 3.36Å; R840-F894 WeakPolarHBondContact O-CE1 3.5Å
841	D	87.2	Confident	88.4	Confident	121 Å²	121	70.8 Å²	70.8	65%	0.647	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-34.9	179.7	-59.4	-37.9	0	0	0	111.6	S839	S839-D841 PolarHBondContact O-N 3.07Å; S839-D841 VanDerWaalsContact O-N 3.15Å
842	Q	86.2	Confident	89.2	Confident	97 Å²	97	75.7 Å²	75.7	45%	0.453	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-25.8	-174.5	-58.1	174.1	4.5	0	0	113.6	S839 F894 T895 K896	S839-Q842 PolarHBondContact O-N 3.42Å; S839-Q842 WeakPolarHBondContact OG-CB 3.42Å; S839-Q842 WeakPolarHBondContact OG-CG 3.34Å; S839-Q842 PolarHBondContact OG-N 2.66Å; Q842-F894 CarbonylContact O-C 3.6Å; Q842-F894 VanDerWaalsContact O-CA 3.31Å; Q842-F894 WeakPolarHBondContact O-CA 3.25Å; Q842-T895 PolarHBondContact O-N 3.12Å; Q842-K896 PolarHBondContact O-N 3.36Å
843	C	88.3	Confident	89.6	Confident	4 Å²	4	74.9 Å²	74.9	3%	0.027	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.8	-172.1	-62	0	0	0	0	112.8	P838 S839 M846 F894 K896	P838-C843 HydrophobicContact CB-CB 4.44Å; S839-C843 VanDerWaalsContact O-CB 3.26Å; S839-C843 WeakPolarHBondContact O-CB 3.47Å; S839-C843 PolarHBondContact O-N 3.31Å; C843-M846 HydrophobicContact CB-CG 3.98Å; C843-M846 HydrophobicContact CB-SD 4.17Å; C843-F894 VanDerWaalsContact C-CD1 3.48Å; C843-F894 WeakPolarHBondContact O-CD1 3.41Å; C843-K896 CarbonylContact C-O 3.57Å; C843-K896 WeakPolarHBondContact CA-O 3.46Å
844	Q	89.2	Confident	89.8	Confident	94 Å²	94	73.2 Å²	73.2	44%	0.439	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	141.2	167.6	-168.3	-176.2	22.7	0	0	110.8	F894 K896 R897 D898	Q844-F894 HydrophobicContact CB-CB 3.94Å; Q844-F894 HydrophobicContact CB-CD2 4.24Å; Q844-F894 HydrophobicContact CB-CG 4Å; Q844-F894 HydrophobicContact CG-CD2 4.39Å; Q844-K896 PolarHBondContact N-O 2.91Å; Q844-R897 WeakPolarHBondContact O-CA 3.44Å; Q844-D898 PolarHBondContact O-N 2.93Å
845	G	85.8	Confident	89.9	Confident	55 Å²	55	75 Å²	75	57%	0.567	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	11.7	167.5	0	0	0	0	0	115.8	R847	G845-R847 PolarHBondContact O-N 2.71Å
846	M	88.8	Confident	89.8	Confident	37 Å²	37	80.1 Å²	80.1	18%	0.182	40%	0.4	C	S	.	.			trans	-56.6	128	174.1	-68.7	-170.8	73.8	0	0	111.4	P838 R840 C843 Y851 D898	P838-M846 HydrophobicContact CB-CE 3.97Å; P838-M846 HydrophobicContact CB-SD 4.27Å; R840-M846 WeakPolarHBondContact CA-SD 3.42Å; R840-M846 HydrophobicContact CB-SD 4.15Å; R840-M846 HydrophobicContact CG-CE 4.13Å; R840-M846 HydrophobicContact CG-SD 3.59Å; R840-M846 VanDerWaalsContact CG-SD 3.59Å; R840-M846 PolarHBondContact N-SD 3.31Å; R840-M846 VanDerWaalsContact N-SD 3.36Å; C843-M846 HydrophobicContact CB-CG 3.98Å; C843-M846 HydrophobicContact CB-SD 4.17Å; M846-Y851 HydrophobicContact CE-CD1 3.66Å; M846-Y851 HydrophobicContact CE-CD2 3.49Å; M846-Y851 VanDerWaalsContact CE-CD2 3.49Å; M846-Y851 HydrophobicContact CE-CE1 3.73Å; M846-Y851 HydrophobicContact CE-CE2 3.6Å; M846-Y851 HydrophobicContact CE-CG 3.56Å; M846-D898 HydrophobicContact CG-CB 4.08Å
847	R	85.1	Confident	89.8	Confident	157 Å²	157	80.9 Å²	80.9	59%	0.592	41%	0.406	S	S	*	.			trans	-72.5	167.1	174.7	-60.2	-171.4	-174.6	173.6	1.7	112.1	G845 A849 Y851 F902	G845-R847 PolarHBondContact O-N 2.71Å; R847-A849 HydrophobicContact CB-CB 4.37Å; R847-A849 PolarHBondContact O-N 2.94Å; R847-Y851 PolarHBondContact N-OH 3.03Å; R847-Y851 WeakPolarHBondContact O-CE2 3.33Å; R847-F902 HydrophobicContact CB-CE1 4.16Å; R847-F902 HydrophobicContact CB-CZ 4.12Å; R847-F902 HydrophobicContact CG-CE1 4.35Å; R847-F902 HydrophobicContact CG-CE2 4.42Å; R847-F902 HydrophobicContact CG-CZ 3.86Å
848	H	85.6	Confident	89.8	Confident	200 Å²	200	76.7 Å²	76.7	93%	0.926	39%	0.387	S	S	*	.	S	Bend	trans	-71.8	20.6	172.8	-64.2	-69.2	0	0	0	114.5
849	A	85.4	Confident	89.9	Confident	11 Å²	11	76.5 Å²	76.5	9%	0.091	39%	0.386	C	S	.	.	S	Bend	trans	-75.4	163.7	178.9	0	0	0	0	0	112.7	R847 Y851 D869 V871 F902	R847-A849 HydrophobicContact CB-CB 4.37Å; R847-A849 PolarHBondContact O-N 2.94Å; A849-Y851 HydrophobicContact CB-CD2 4.47Å; A849-Y851 HydrophobicContact CB-CE2 3.85Å; A849-Y851 VanDerWaalsContact O-CD2 3.25Å; A849-Y851 WeakPolarHBondContact O-CD2 3.18Å; A849-Y851 WeakPolarHBondContact O-CE2 2.98Å; A849-Y851 PolarHBondContact O-N 2.82Å; A849-D869 WeakPolarHBondContact CB-O 3.32Å; A849-V871 HydrophobicContact CB-CG2 3.81Å; A849-F902 HydrophobicContact CB-CD1 3.95Å; A849-F902 HydrophobicContact CB-CE1 3.61Å
850	M	89.1	Confident	90.2	Very high	113 Å²	113	74.9 Å²	74.9	56%	0.557	37%	0.374	S	S	*	.			trans	-83.6	109.1	170.2	-62.3	-174.3	-179.6	0	0	110.3
851	Y	92.9	Very high	90.6	Very high	15 Å²	15	68.2 Å²	68.2	6%	0.059	36%	0.356	C	S	.	.			trans	-93.6	-6.1	172.5	-61.2	-102.3	0	0	0	112.3	P838 M846 R847 A849 K853 L854 V871 D898 F902	P838-Y851 HydrophobicContact CB-CD1 4.33Å; P838-Y851 HydrophobicContact CB-CE1 4.44Å; P838-Y851 HydrophobicContact CG-CD1 4.05Å; P838-Y851 HydrophobicContact CG-CE1 4.2Å; M846-Y851 HydrophobicContact CE-CD1 3.66Å; M846-Y851 HydrophobicContact CE-CD2 3.49Å; M846-Y851 VanDerWaalsContact CE-CD2 3.49Å; M846-Y851 HydrophobicContact CE-CE1 3.73Å; M846-Y851 HydrophobicContact CE-CE2 3.6Å; M846-Y851 HydrophobicContact CE-CG 3.56Å; R847-Y851 PolarHBondContact N-OH 3.03Å; R847-Y851 WeakPolarHBondContact O-CE2 3.33Å; A849-Y851 HydrophobicContact CB-CD2 4.47Å; A849-Y851 HydrophobicContact CB-CE2 3.85Å; A849-Y851 VanDerWaalsContact O-CD2 3.25Å; A849-Y851 WeakPolarHBondContact O-CD2 3.18Å; A849-Y851 WeakPolarHBondContact O-CE2 2.98Å; A849-Y851 PolarHBondContact O-N 2.82Å; Y851-K853 PolarHBondContact O-N 3Å; Y851-L854 HydrophobicContact CD1-CD1 4.32Å; Y851-L854 WeakPolarHBondContact O-CB 3.41Å; Y851-L854 PolarHBondContact O-N 2.65Å; Y851-V871 HydrophobicContact CD1-CB 4.23Å; Y851-V871 HydrophobicContact CD1-CG1 4.34Å; Y851-V871 HydrophobicContact CD1-CG2 3.6Å; Y851-V871 HydrophobicContact CD2-CG2 4.26Å; Y851-V871 HydrophobicContact CE1-CB 4.44Å; Y851-V871 HydrophobicContact CE1-CG1 4.37Å; Y851-V871 HydrophobicContact CE1-CG2 3.54Å; Y851-V871 HydrophobicContact CE2-CG2 4.17Å; Y851-V871 HydrophobicContact CG-CG2 3.96Å; Y851-D898 PolarHBondContact OH-OD2 3.24Å; Y851-F902 WeakPolarHBondContact OH-CZ 3.29Å
852	E	92	Very high	91.1	Very high	172 Å²	172	66 Å²	66	80%	0.804	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-28	-177.5	-68.3	178.7	-177.2	0	0	112.6	L854	E852-L854 PolarHBondContact O-N 3.01Å
853	K	93.7	Very high	91.5	Very high	58 Å²	58	64 Å²	64	25%	0.252	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.3	178.5	-61.5	-174.1	-178.2	-177.2	0	114.3	Y851 T864 R865 D870	Y851-K853 PolarHBondContact O-N 3Å; K853-T864 HydrophobicContact CB-CG2 4.43Å; K853-T864 HydrophobicContact CD-CG2 4.38Å; K853-R865 PolarHBondContact NZ-O 3.17Å; K853-D870 IonicContact NZ-OD1 3.06Å; K853-D870 IonicContact NZ-OD2 3.37Å; K853-D870 PolarHBondContact NZ-OD2 3.33Å
854	L	94.7	Very high	91.9	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.01	37%	0.365	C	S	.	.	S	Bend	trans	-82.7	137.2	174.6	-59.8	178.4	0	0	0	109.9	K837 Y851 E852 V871	K837-L854 WeakPolarHBondContact CE-O 3.32Å; K837-L854 HydrophobicContact CG-CB 4.49Å; K837-L854 PolarHBondContact NZ-O 3.42Å; Y851-L854 HydrophobicContact CD1-CD1 4.32Å; Y851-L854 WeakPolarHBondContact O-CB 3.41Å; Y851-L854 PolarHBondContact O-N 2.65Å; E852-L854 PolarHBondContact O-N 3.01Å; L854-V871 HydrophobicContact CD1-CB 4.15Å; L854-V871 HydrophobicContact CD1-CG1 3.85Å; L854-V871 HydrophobicContact CD2-CB 4.39Å; L854-V871 HydrophobicContact CD2-CG1 4.29Å; L854-V871 WeakPolarHBondContact CD2-O 3.41Å; L854-V871 HydrophobicContact CG-CB 4.38Å; L854-V871 HydrophobicContact CG-CG1 4.44Å
855	D	93.8	Very high	92.2	Very high	81 Å²	81	70.8 Å²	70.8	43%	0.433	38%	0.379	S	S	.	.			trans	-72.7	178.5	169.7	-69.2	-20.7	0	0	0	110.6	D857 G858 I859	D855-D857 WeakPolarHBondContact CB-OD1 3.38Å; D855-D857 PolarHBondContact O-N 3.04Å; D855-G858 PolarHBondContact O-N 2.96Å; D855-I859 WeakPolarHBondContact CB-O 3.3Å; D855-I859 PolarHBondContact N-O 3.13Å
856	S	91.4	Very high	92.7	Very high	116 Å²	116	68.2 Å²	68.2	81%	0.811	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.5	-178.3	50.9	0	0	0	0	113.6	G858	S856-G858 PolarHBondContact O-N 2.87Å
857	D	92.9	Very high	92.8	Very high	64 Å²	64	68.8 Å²	68.8	34%	0.342	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.4	175.8	70.8	-18.2	0	0	0	113.2	I835 D855 I859	I835-D857 CarbonylContact C-O 3.51Å; D855-D857 WeakPolarHBondContact CB-OD1 3.38Å; D855-D857 PolarHBondContact O-N 3.04Å; D857-I859 VanDerWaalsContact C-N 3.35Å; D857-I859 PolarHBondContact OD1-N 3.28Å
858	G	93.2	Very high	92.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	79.3	11.3	-177.4	0	0	0	0	0	114.2	E836 D855 S856 G874	E836-G858 VanDerWaalsContact C-CA 3.46Å; D855-G858 PolarHBondContact O-N 2.96Å; S856-G858 PolarHBondContact O-N 2.87Å; G858-G874 WeakPolarHBondContact O-CA 3.45Å; G858-G874 PolarHBondContact O-N 3.35Å
859	I	95.9	Very high	92.8	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.015	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-117	149.6	-178.4	-49.8	171	0	0	0	109.3	I835 D855 D857 V914 V916 V926 V928	I835-I859 HydrophobicContact CG2-CD1 4.22Å; I835-I859 HydrophobicContact CG2-CG1 3.84Å; D855-I859 WeakPolarHBondContact CB-O 3.3Å; D855-I859 PolarHBondContact N-O 3.13Å; D857-I859 VanDerWaalsContact C-N 3.35Å; D857-I859 PolarHBondContact OD1-N 3.28Å; I859-V914 HydrophobicContact CG2-CG1 3.64Å; I859-V916 HydrophobicContact CD1-CG2 3.74Å; I859-V926 HydrophobicContact CD1-CB 4.48Å; I859-V926 HydrophobicContact CD1-CG1 3.93Å; I859-V926 HydrophobicContact CD1-CG2 3.67Å; I859-V926 HydrophobicContact CG1-CG1 4.42Å; I859-V926 HydrophobicContact CG2-CG1 4.13Å; I859-V928 HydrophobicContact CG2-CG2 4.17Å
860	V	96.2	Very high	93.2	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-81.3	136.3	175.7	62	0	0	0	0	111.4	T864 V866 I872 V911 V914 V928	V860-T864 HydrophobicContact CG2-CG2 3.86Å; V860-V866 HydrophobicContact CG2-CG1 4.32Å; V860-I872 HydrophobicContact CG1-CB 4.15Å; V860-I872 HydrophobicContact CG1-CG2 4.35Å; V860-I872 WeakPolarHBondContact CG1-O 3.27Å; V860-I872 PolarHBondContact N-O 2.8Å; V860-V911 HydrophobicContact CB-CG2 4.43Å; V860-V911 HydrophobicContact CG1-CG1 4.22Å; V860-V911 HydrophobicContact CG1-CG2 3.67Å; V860-V911 HydrophobicContact CG2-CG2 3.84Å; V860-V914 WeakPolarHBondContact O-CG2 3.41Å; V860-V928 HydrophobicContact CG1-CG1 3.95Å
861	A	96	Very high	93.4	Very high	30 Å²	30	51.9 Å²	51.9	25%	0.248	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-71.3	144.1	175.2	0	0	0	0	0	113.1	T864	A861-T864 VanDerWaalsContact O-CB 3.3Å; A861-T864 WeakPolarHBondContact O-CB 3.26Å; A861-T864 PolarHBondContact O-N 2.77Å; A861-T864 PolarHBondContact O-OG1 3.22Å
862	P	96.7	Very high	93.5	Very high	76 Å²	76	51.1 Å²	51.1	49%	0.494	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	143	167.9	-24.3	33.5	0	0	0	112.7	T864 V914	P862-T864 VanDerWaalsContact C-N 3.31Å; P862-V914 HydrophobicContact CG-CB 4.23Å; P862-V914 HydrophobicContact CG-CG2 4.09Å
863	G	95.8	Very high	93.7	Very high	55 Å²	55	43 Å²	43	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-15.5	-176	0	0	0	0	0	114.5	I910 V911	G863-I910 WeakPolarHBondContact O-CG2 3.22Å; G863-V911 PolarHBondContact N-O 2.94Å
864	T	95.8	Very high	93.8	Very high	42 Å²	42	40.2 Å²	40.2	26%	0.258	24%	0.24	S	C	.	.			trans	-68.7	134.7	178.1	-53.4	0	0	0	0	111.2	K853 V860 A861 P862 V911	K853-T864 HydrophobicContact CB-CG2 4.43Å; K853-T864 HydrophobicContact CD-CG2 4.38Å; V860-T864 HydrophobicContact CG2-CG2 3.86Å; A861-T864 VanDerWaalsContact O-CB 3.3Å; A861-T864 WeakPolarHBondContact O-CB 3.26Å; A861-T864 PolarHBondContact O-N 2.77Å; A861-T864 PolarHBondContact O-OG1 3.22Å; P862-T864 VanDerWaalsContact C-N 3.31Å; T864-V911 PolarHBondContact O-N 3.11Å
865	R	96.3	Very high	93.8	Very high	197 Å²	197	40.9 Å²	40.9	74%	0.743	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81	125.1	175.8	-169.7	173.5	-175.2	162.2	0.5	110.4	K853 I910	K853-R865 PolarHBondContact NZ-O 3.17Å; R865-I910 HydrophobicContact CG-CG1 4.49Å
866	V	94.8	Very high	93.8	Very high	1 Å²	1	37 Å²	37	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.1	-178.8	-65.9	0	0	0	0	110.7	V860 D870 I872 L903 G909 V911 V930	V860-V866 HydrophobicContact CG2-CG1 4.32Å; V866-D870 WeakPolarHBondContact CA-OD2 3.49Å; V866-D870 HydrophobicContact CB-CB 4.47Å; V866-I872 HydrophobicContact CG1-CG2 4.41Å; V866-L903 HydrophobicContact CB-CD2 4.3Å; V866-L903 HydrophobicContact CG2-CD2 4.01Å; V866-G909 PolarHBondContact N-O 3.41Å; V866-G909 PolarHBondContact O-N 2.94Å; V866-V911 HydrophobicContact CG1-CG2 3.91Å; V866-V911 HydrophobicContact CG2-CG2 4.14Å; V866-V930 HydrophobicContact CG2-CG1 3.88Å; V866-V930 HydrophobicContact CG2-CG2 4.34Å
867	S	92.4	Very high	93.8	Very high	49 Å²	49	33.2 Å²	33.2	34%	0.343	19%	0.193	S	C	.	.			trans	-125.6	171.7	178.5	40.4	0	0	0	0	110.4	D870 L903 E907	S867-D870 PolarHBondContact N-OD2 3.33Å; S867-D870 VanDerWaalsContact O-CB 3.3Å; S867-D870 WeakPolarHBondContact O-CB 3.28Å; S867-D870 PolarHBondContact O-N 2.97Å; S867-D870 VanDerWaalsContact O-N 3.1Å; S867-D870 PolarHBondContact OG-OD2 2.97Å; S867-L903 WeakPolarHBondContact O-CD2 3.47Å; S867-E907 CarbonylContact C-O 3.6Å
868	G	84.9	Confident	93.5	Very high	18 Å²	18	32.8 Å²	32.8	19%	0.186	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	142.5	172	0	0	0	0	0	111.5	D870 E907	G868-D870 PolarHBondContact O-N 3.11Å; G868-E907 PolarHBondContact N-O 3.49Å
869	D	84.4	Confident	93.1	Very high	104 Å²	104	35.7 Å²	35.7	56%	0.556	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	-3.8	-176	-53.6	-34.3	0	0	0	116.4	A849	A849-D869 WeakPolarHBondContact CB-O 3.32Å
870	D	93.8	Very high	92.2	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	22%	0.22	C	C	.	.			trans	-70.5	146.4	170.5	-69.1	-29.5	0	0	0	111.8	K853 V866 S867 G868 F902 L903	K853-D870 IonicContact NZ-OD1 3.06Å; K853-D870 IonicContact NZ-OD2 3.37Å; K853-D870 PolarHBondContact NZ-OD2 3.33Å; V866-D870 WeakPolarHBondContact CA-OD2 3.49Å; V866-D870 HydrophobicContact CB-CB 4.47Å; S867-D870 PolarHBondContact N-OD2 3.33Å; S867-D870 VanDerWaalsContact O-CB 3.3Å; S867-D870 WeakPolarHBondContact O-CB 3.28Å; S867-D870 PolarHBondContact O-N 2.97Å; S867-D870 VanDerWaalsContact O-N 3.1Å; S867-D870 PolarHBondContact OG-OD2 2.97Å; G868-D870 PolarHBondContact O-N 3.11Å; D870-F902 WeakPolarHBondContact O-CA 3.48Å; D870-L903 PolarHBondContact O-N 3.45Å
871	V	94.4	Very high	90.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.7	175	-165.7	0	0	0	0	109.6	A849 Y851 L854 F902	A849-V871 HydrophobicContact CB-CG2 3.81Å; Y851-V871 HydrophobicContact CD1-CB 4.23Å; Y851-V871 HydrophobicContact CD1-CG1 4.34Å; Y851-V871 HydrophobicContact CD1-CG2 3.6Å; Y851-V871 HydrophobicContact CD2-CG2 4.26Å; Y851-V871 HydrophobicContact CE1-CB 4.44Å; Y851-V871 HydrophobicContact CE1-CG1 4.37Å; Y851-V871 HydrophobicContact CE1-CG2 3.54Å; Y851-V871 HydrophobicContact CE2-CG2 4.17Å; Y851-V871 HydrophobicContact CG-CG2 3.96Å; L854-V871 HydrophobicContact CD1-CB 4.15Å; L854-V871 HydrophobicContact CD1-CG1 3.85Å; L854-V871 HydrophobicContact CD2-CB 4.39Å; L854-V871 HydrophobicContact CD2-CG1 4.29Å; L854-V871 WeakPolarHBondContact CD2-O 3.41Å; L854-V871 HydrophobicContact CG-CB 4.38Å; L854-V871 HydrophobicContact CG-CG1 4.44Å; V871-F902 HydrophobicContact CB-CD1 4.47Å; V871-F902 HydrophobicContact CG2-CD1 3.66Å; V871-F902 HydrophobicContact CG2-CE1 3.41Å; V871-F902 VanDerWaalsContact CG2-CE1 3.41Å; V871-F902 HydrophobicContact CG2-CZ 4.37Å
872	I	95.1	Very high	89.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-29.5	177.4	54.1	170.2	0	0	0	112.5	Y820 V860 V866 T901	Y820-I872 VanDerWaalsContact CB-CD1 3.44Å; Y820-I872 HydrophobicContact CD1-CD1 3.71Å; Y820-I872 HydrophobicContact CD2-CD1 3.53Å; Y820-I872 HydrophobicContact CE1-CD1 4.32Å; Y820-I872 HydrophobicContact CE2-CD1 4.19Å; Y820-I872 HydrophobicContact CG-CD1 3.26Å; V860-I872 HydrophobicContact CG1-CB 4.15Å; V860-I872 HydrophobicContact CG1-CG2 4.35Å; V860-I872 WeakPolarHBondContact CG1-O 3.27Å; V860-I872 PolarHBondContact N-O 2.8Å; V866-I872 HydrophobicContact CG1-CG2 4.41Å; I872-T901 HydrophobicContact CD1-CG2 4.15Å; I872-T901 HydrophobicContact CG1-CG2 4.22Å; I872-T901 WeakPolarHBondContact CG1-O 3.4Å; I872-T901 PolarHBondContact N-O 3.15Å; I872-T901 VanDerWaalsContact N-O 3.11Å
873	I	96.1	Very high	87.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	111.5	176.1	-55.8	170.7	0	0	0	107.5	D822 I835 S900 T901 V926 V928	D822-I873 HydrophobicContact CB-CD1 3.7Å; D822-I873 HydrophobicContact CB-CG2 4.14Å; I835-I873 HydrophobicContact CG2-CG2 4.14Å; I873-S900 CarbonylContact O-C 3.47Å; I873-S900 VanDerWaalsContact O-CA 3.31Å; I873-S900 WeakPolarHBondContact O-CA 3.46Å; I873-S900 VanDerWaalsContact O-CB 3.25Å; I873-S900 WeakPolarHBondContact O-CB 3.43Å; I873-T901 PolarHBondContact N-O 3.32Å; I873-T901 PolarHBondContact O-N 3.34Å; I873-V926 HydrophobicContact CD1-CB 4.43Å; I873-V926 HydrophobicContact CD1-CG1 4.21Å; I873-V926 HydrophobicContact CG1-CG1 4.49Å; I873-V928 HydrophobicContact CD1-CG2 4Å; I873-V928 HydrophobicContact CG1-CG2 3.85Å
874	G	95.7	Very high	85.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.			trans	-74.1	117.8	170.8	0	0	0	0	0	110.3	I835 E836 G858 S900	I835-G874 WeakPolarHBondContact CA-O 3.42Å; I835-G874 WeakPolarHBondContact CG2-O 3.27Å; E836-G874 PolarHBondContact N-O 3Å; E836-G874 CarbonylContact O-C 3.51Å; E836-G874 VanDerWaalsContact O-C 3.3Å; G858-G874 WeakPolarHBondContact O-CA 3.45Å; G858-G874 PolarHBondContact O-N 3.35Å; G874-S900 WeakPolarHBondContact CA-OG 3.29Å
875	K	94.2	Very high	83.4	Confident	16 Å²	16	59.3 Å²	59.3	7%	0.07	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130.1	-178.8	-178	176.3	177.3	172.5	0	109.8	D822 Q823 E833 L834 A899 S900	D822-K875 IonicContact OD1-NZ 3.32Å; D822-K875 PolarHBondContact OD1-NZ 3.12Å; D822-K875 VanDerWaalsContact OD1-NZ 3.11Å; Q823-K875 PolarHBondContact O-NZ 2.97Å; E833-K875 VanDerWaalsContact CD-CE 3.45Å; E833-K875 IonicContact OE1-NZ 2.69Å; E833-K875 WeakPolarHBondContact OE2-CE 3.48Å; E833-K875 IonicContact OE2-NZ 3.47Å; E833-K875 PolarHBondContact OE2-NZ 3.12Å; L834-K875 WeakPolarHBondContact O-CA 3.49Å; K875-A899 HydrophobicContact CG-CB 4.45Å; K875-A899 CarbonylContact O-C 3.56Å; K875-A899 PolarHBondContact O-N 2.86Å; K875-S900 PolarHBondContact N-OG 2.97Å; K875-S900 PolarHBondContact O-N 2.92Å
876	T	93.4	Very high	81.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.1	179.6	64	0	0	0	0	110.1	E833 L834 E836 P838 R897	E833-T876 CarbonylContact C-O 3.51Å; E833-T876 VanDerWaalsContact CA-O 3.32Å; E833-T876 WeakPolarHBondContact CA-O 3.12Å; L834-T876 PolarHBondContact N-O 2.96Å; L834-T876 PolarHBondContact O-N 2.85Å; E836-T876 HydrophobicContact CG-CG2 3.9Å; E836-T876 WeakPolarHBondContact CG-OG1 3.33Å; E836-T876 WeakPolarHBondContact OE1-CB 3.43Å; E836-T876 WeakPolarHBondContact OE1-CG2 3.33Å; E836-T876 PolarHBondContact OE1-OG1 3.42Å; P838-T876 HydrophobicContact CB-CG2 4.06Å; P838-T876 HydrophobicContact CG-CG2 4.07Å; T876-R897 CarbonylContact C-O 3.59Å; T876-R897 WeakPolarHBondContact CA-O 3.43Å
877	I	91.2	Very high	79.5	Confident	37 Å²	37	65.6 Å²	65.6	19%	0.19	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.5	174.6	-48.7	-175.3	0	0	0	107.1	N831 E833 K896 R897 A899	N831-I877 HydrophobicContact CB-CG2 4.27Å; E833-I877 HydrophobicContact CG-CG1 4.13Å; E833-I877 HydrophobicContact CG-CG2 4.46Å; I877-K896 CarbonylContact O-C 3.54Å; I877-K896 VanDerWaalsContact O-CA 3.28Å; I877-K896 WeakPolarHBondContact O-CA 3.4Å; I877-R897 PolarHBondContact N-O 3.28Å; I877-R897 PolarHBondContact O-N 2.8Å; I877-A899 HydrophobicContact CD1-CB 3.61Å; I877-A899 HydrophobicContact CG1-CB 3.67Å
878	M	88.1	Confident	77.6	Confident	54 Å²	54	70.7 Å²	70.7	27%	0.266	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	135.9	172.4	-66.7	-66.4	-175.2	0	0	110.3	E832 L834 K896	E832-M878 HydrophobicContact CB-CG 4.41Å; E832-M878 PolarHBondContact O-N 3.35Å; L834-M878 HydrophobicContact CD1-CE 3.82Å; M878-K896 HydrophobicContact CE-CD 3.96Å; M878-K896 HydrophobicContact CE-CG 4.48Å; M878-K896 HydrophobicContact SD-CD 3.8Å; M878-K896 HydrophobicContact SD-CG 3.68Å
879	L	83.3	Confident	75.9	Confident	61 Å²	61	78.7 Å²	78.7	32%	0.319	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-87.3	139.8	173.4	-71.3	166.1	0	0	0	109.1	E881 T895 R897	L879-E881 PolarHBondContact O-N 3.23Å; L879-T895 PolarHBondContact N-O 2.9Å; L879-T895 VanDerWaalsContact N-O 3.11Å; L879-R897 HydrophobicContact CD2-CB 4.21Å; L879-R897 HydrophobicContact CG-CB 4.35Å
880	P	77.4	Confident	74.2	Confident	54 Å²	54	78.4 Å²	78.4	35%	0.351	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-62.5	137.5	178.5	24.3	-32.7	0	0	0	111.3	N882	P880-N882 PolarHBondContact O-N 3.1Å; P880-N882 VanDerWaalsContact O-N 3.11Å
881	E	67.2	Low	72.3	Confident	177 Å²	177	83.6 Å²	83.6	83%	0.827	44%	0.436	S	S	*	.			trans	-73	95.8	164.6	-65.9	-174.5	168.8	0	0	107.6	L879 E883	L879-E881 PolarHBondContact O-N 3.23Å; E881-E883 PolarHBondContact O-N 3.24Å
882	N	60.4	Low	70.6	Confident	92 Å²	92	88.8 Å²	88.8	49%	0.492	46%	0.459	S	S	.	.			trans	-62.7	127.1	172.6	-78.2	-10.7	0	0	0	109.9	P880 D884 D885	P880-N882 PolarHBondContact O-N 3.1Å; P880-N882 VanDerWaalsContact O-N 3.11Å; N882-D884 PolarHBondContact O-N 3.29Å; N882-D885 PolarHBondContact O-N 3.09Å
883	E	55.1	Low	69.6	Low	169 Å²	169	97.3 Å²	97.3	79%	0.79	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-61.5	-24.8	170.9	-66.3	-178.4	164.7	0	0	111.9	E881 D885 E886	E881-E883 PolarHBondContact O-N 3.24Å; E883-D885 PolarHBondContact O-N 3.09Å; E883-D885 VanDerWaalsContact O-N 3.17Å; E883-E886 WeakPolarHBondContact O-CG 3.48Å; E883-E886 PolarHBondContact O-N 3.4Å
884	D	55.8	Low	68.8	Low	150 Å²	150	100.2 Å²	100.2	80%	0.802	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-67.6	-13.7	177.9	-68.1	-26.7	0	0	0	113.7	N882	N882-D884 PolarHBondContact O-N 3.29Å
885	D	57.4	Low	68.3	Low	63 Å²	63	103.6 Å²	103.6	34%	0.337	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-89.6	7.3	-178.3	-70	-30.6	0	0	0	113.6	N882 E883 L887 E888 K892	N882-D885 PolarHBondContact O-N 3.09Å; E883-D885 PolarHBondContact O-N 3.09Å; E883-D885 VanDerWaalsContact O-N 3.17Å; D885-L887 PolarHBondContact O-N 3.44Å; D885-E888 PolarHBondContact O-N 3.06Å; D885-K892 WeakPolarHBondContact OD2-CE 3.34Å; D885-K892 IonicContact OD2-NZ 2.82Å; D885-K892 PolarHBondContact OD2-NZ 2.81Å
886	E	52.8	Low	68.1	Low	156 Å²	156	103.9 Å²	103.9	73%	0.729	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.9	-178.8	-80.6	-170	167.3	0	0	114.3	E883	E883-E886 WeakPolarHBondContact O-CG 3.48Å; E883-E886 PolarHBondContact O-N 3.4Å
887	L	55.5	Low	68	Low	173 Å²	173	110.8 Å²	110.8	91%	0.906	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-13.8	177.9	-78.9	155	0	0	0	114.4	D885	D885-L887 PolarHBondContact O-N 3.44Å
888	E	52.7	Low	68.1	Low	156 Å²	156	109.7 Å²	109.7	73%	0.729	55%	0.546	S	S	*	.			trans	-124.2	64.1	179.4	-71.3	-169.8	168	0	0	111.3	D885 S890	D885-E888 PolarHBondContact O-N 3.06Å; E888-S890 PolarHBondContact O-N 3.13Å
889	Q	48.9	Very low	68.3	Low	186 Å²	186	108.9 Å²	108.9	87%	0.869	55%	0.548	S	S	*	.			trans	-63.5	1.8	173.5	-78.7	-175	-9.2	0	0	114.8
890	S	50.5	Low	68.8	Low	99 Å²	99	106.4 Å²	106.4	69%	0.692	54%	0.536	S	S	*	.	S	Bend	trans	-106.1	98.2	179.4	60.8	0	0	0	0	112.5	E888	E888-S890 PolarHBondContact O-N 3.13Å
891	S	52.5	Low	69.6	Low	112 Å²	112	105.5 Å²	105.5	78%	0.783	53%	0.529	S	S	*	.			trans	76.4	69.2	155.8	-51.7	0	0	0	0	117.6	R893	S891-R893 PolarHBondContact O-N 3.03Å
892	K	59.5	Low	70.8	Confident	110 Å²	110	98.6 Å²	98.6	48%	0.478	50%	0.496	S	S	.	.			trans	-60.2	103.9	150.9	-82.9	-176.1	179.1	173.6	0	108.1	D885 F894	D885-K892 WeakPolarHBondContact OD2-CE 3.34Å; D885-K892 IonicContact OD2-NZ 2.82Å; D885-K892 PolarHBondContact OD2-NZ 2.81Å; K892-F894 PolarHBondContact O-N 2.66Å
893	R	72.8	Confident	72.2	Confident	178 Å²	178	94.5 Å²	94.5	67%	0.672	48%	0.475	S	S	*	.	S	Bend	trans	-58.3	-37.3	179.6	-177.2	177	176	178.8	1.2	111.7	S891	S891-R893 PolarHBondContact O-N 3.03Å
894	F	80.9	Confident	73.7	Confident	61 Å²	61	91.8 Å²	91.8	27%	0.268	46%	0.457	S	S	.	.			trans	-118	126	-177	-54	-68.8	0	0	0	110.1	R840 Q842 C843 Q844 K892	R840-F894 WeakPolarHBondContact O-CE1 3.5Å; Q842-F894 CarbonylContact O-C 3.6Å; Q842-F894 VanDerWaalsContact O-CA 3.31Å; Q842-F894 WeakPolarHBondContact O-CA 3.25Å; C843-F894 VanDerWaalsContact C-CD1 3.48Å; C843-F894 WeakPolarHBondContact O-CD1 3.41Å; Q844-F894 HydrophobicContact CB-CB 3.94Å; Q844-F894 HydrophobicContact CB-CD2 4.24Å; Q844-F894 HydrophobicContact CB-CG 4Å; Q844-F894 HydrophobicContact CG-CD2 4.39Å; K892-F894 PolarHBondContact O-N 2.66Å
895	T	85.5	Confident	75	Confident	72 Å²	72	87.3 Å²	87.3	44%	0.442	44%	0.438	S	S	.	.	S	Bend	trans	-98	-21.9	176.2	52.2	0	0	0	0	111.9	Q842 L879	Q842-T895 PolarHBondContact O-N 3.12Å; L879-T895 PolarHBondContact N-O 2.9Å; L879-T895 VanDerWaalsContact N-O 3.11Å
896	K	89.7	Confident	76.2	Confident	21 Å²	21	87.3 Å²	87.3	9%	0.091	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	165.4	-176.1	-47.9	-168.5	-169	-172.5	0	111.1	E836 Q842 C843 Q844 I877 M878	E836-K896 WeakPolarHBondContact OE1-CD 3.28Å; E836-K896 WeakPolarHBondContact OE1-CE 3.39Å; E836-K896 IonicContact OE1-NZ 3.92Å; E836-K896 PolarHBondContact OE1-NZ 3.13Å; E836-K896 IonicContact OE2-NZ 2.79Å; E836-K896 PolarHBondContact OE2-NZ 3.46Å; Q842-K896 PolarHBondContact O-N 3.36Å; C843-K896 CarbonylContact C-O 3.57Å; C843-K896 WeakPolarHBondContact CA-O 3.46Å; Q844-K896 PolarHBondContact N-O 2.91Å; I877-K896 CarbonylContact O-C 3.54Å; I877-K896 VanDerWaalsContact O-CA 3.28Å; I877-K896 WeakPolarHBondContact O-CA 3.4Å; M878-K896 HydrophobicContact CE-CD 3.96Å; M878-K896 HydrophobicContact CE-CG 4.48Å; M878-K896 HydrophobicContact SD-CD 3.8Å; M878-K896 HydrophobicContact SD-CG 3.68Å
897	R	91.1	Very high	77.8	Confident	145 Å²	145	80.6 Å²	80.6	55%	0.547	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.7	171.2	179.4	179.3	172.7	-179.8	-0.2	110.1	Q844 T876 I877 L879	Q844-R897 WeakPolarHBondContact O-CA 3.44Å; T876-R897 CarbonylContact C-O 3.59Å; T876-R897 WeakPolarHBondContact CA-O 3.43Å; I877-R897 PolarHBondContact N-O 3.28Å; I877-R897 PolarHBondContact O-N 2.8Å; L879-R897 HydrophobicContact CD2-CB 4.21Å; L879-R897 HydrophobicContact CG-CB 4.35Å
898	D	92.8	Very high	79.5	Confident	15 Å²	15	76.4 Å²	76.4	8%	0.08	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.6	174.8	180	27.1	0	0	0	111.5	Q844 M846 Y851 S900	Q844-D898 PolarHBondContact O-N 2.93Å; M846-D898 HydrophobicContact CG-CB 4.08Å; Y851-D898 PolarHBondContact OH-OD2 3.24Å; D898-S900 WeakPolarHBondContact OD1-CB 3.46Å; D898-S900 PolarHBondContact OD1-N 3.21Å; D898-S900 PolarHBondContact OD1-OG 3.31Å
899	A	92.4	Very high	81.5	Confident	37 Å²	37	69.5 Å²	69.5	31%	0.306	36%	0.364	S	S	.	.			trans	-130.8	25.3	174.3	0	0	0	0	0	111.7	K875 I877	K875-A899 HydrophobicContact CG-CB 4.45Å; K875-A899 CarbonylContact O-C 3.56Å; K875-A899 PolarHBondContact O-N 2.86Å; I877-A899 HydrophobicContact CD1-CB 3.61Å; I877-A899 HydrophobicContact CG1-CB 3.67Å
900	S	94.1	Very high	83.8	Confident	9 Å²	9	62.9 Å²	62.9	6%	0.063	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-57.9	152.3	-177	-60.3	0	0	0	0	113.8	P838 I873 G874 K875 D898 F902	P838-S900 WeakPolarHBondContact CG-OG 3.24Å; I873-S900 CarbonylContact O-C 3.47Å; I873-S900 VanDerWaalsContact O-CA 3.31Å; I873-S900 WeakPolarHBondContact O-CA 3.46Å; I873-S900 VanDerWaalsContact O-CB 3.25Å; I873-S900 WeakPolarHBondContact O-CB 3.43Å; G874-S900 WeakPolarHBondContact CA-OG 3.29Å; K875-S900 PolarHBondContact N-OG 2.97Å; K875-S900 PolarHBondContact O-N 2.92Å; D898-S900 WeakPolarHBondContact OD1-CB 3.46Å; D898-S900 PolarHBondContact OD1-N 3.21Å; D898-S900 PolarHBondContact OD1-OG 3.31Å; S900-F902 VanDerWaalsContact O-CD2 3.31Å; S900-F902 WeakPolarHBondContact O-CD2 3.36Å; S900-F902 WeakPolarHBondContact O-CE2 3.45Å
901	T	93.2	Very high	86	Confident	35 Å²	35	58.2 Å²	58.2	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.1	175	-70	0	0	0	0	110.4	Y820 D822 I872 I873	Y820-T901 HydrophobicContact CD1-CG2 4.24Å; D822-T901 PolarHBondContact OD2-OG1 2.92Å; I872-T901 HydrophobicContact CD1-CG2 4.15Å; I872-T901 HydrophobicContact CG1-CG2 4.22Å; I872-T901 WeakPolarHBondContact CG1-O 3.4Å; I872-T901 PolarHBondContact N-O 3.15Å; I872-T901 VanDerWaalsContact N-O 3.11Å; I873-T901 PolarHBondContact N-O 3.32Å; I873-T901 PolarHBondContact O-N 3.34Å
902	F	92.3	Very high	88.1	Confident	31 Å²	31	54.8 Å²	54.8	14%	0.136	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	153.7	-177.8	-55.4	-93.3	0	0	0	111.5	R847 A849 Y851 D870 V871 S900	R847-F902 HydrophobicContact CB-CE1 4.16Å; R847-F902 HydrophobicContact CB-CZ 4.12Å; R847-F902 HydrophobicContact CG-CE1 4.35Å; R847-F902 HydrophobicContact CG-CE2 4.42Å; R847-F902 HydrophobicContact CG-CZ 3.86Å; A849-F902 HydrophobicContact CB-CD1 3.95Å; A849-F902 HydrophobicContact CB-CE1 3.61Å; Y851-F902 WeakPolarHBondContact OH-CZ 3.29Å; D870-F902 WeakPolarHBondContact O-CA 3.48Å; V871-F902 HydrophobicContact CB-CD1 4.47Å; V871-F902 HydrophobicContact CG2-CD1 3.66Å; V871-F902 HydrophobicContact CG2-CE1 3.41Å; V871-F902 VanDerWaalsContact CG2-CE1 3.41Å; V871-F902 HydrophobicContact CG2-CZ 4.37Å; S900-F902 VanDerWaalsContact O-CD2 3.31Å; S900-F902 WeakPolarHBondContact O-CD2 3.36Å; S900-F902 WeakPolarHBondContact O-CE2 3.45Å
903	L	91.1	Very high	89.8	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.031	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-65.5	152.2	163.9	-160	72.3	0	0	0	109.8	Y820 V866 S867 D870 E907 V930	Y820-L903 HydrophobicContact CD2-CD1 4.47Å; Y820-L903 HydrophobicContact CE2-CD1 3.53Å; Y820-L903 WeakPolarHBondContact OH-CD1 3.45Å; V866-L903 HydrophobicContact CB-CD2 4.3Å; V866-L903 HydrophobicContact CG2-CD2 4.01Å; S867-L903 WeakPolarHBondContact O-CD2 3.47Å; D870-L903 PolarHBondContact O-N 3.45Å; L903-E907 HydrophobicContact CD2-CB 4.32Å; L903-E907 VanDerWaalsContact CD2-O 3.31Å; L903-E907 WeakPolarHBondContact CD2-O 3.46Å; L903-E907 HydrophobicContact CG-CB 4.28Å; L903-V930 HydrophobicContact CD1-CG1 4.49Å; L903-V930 HydrophobicContact CD1-CG2 4.17Å
904	R	86.5	Confident	90.9	Very high	112 Å²	112	46.4 Å²	46.4	42%	0.423	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-69.2	141.2	174.4	-65.4	-169.6	-171.3	170.5	2.8	109.4	R818 S906 E907	R818-R904 VanDerWaalsContact NH1-NE 3.11Å; R904-S906 PolarHBondContact O-N 3.18Å; R904-E907 HydrophobicContact CB-CB 4.38Å; R904-E907 HydrophobicContact CB-CG 4.38Å; R904-E907 PolarHBondContact O-N 3.05Å
905	S	81.9	Confident	91.5	Very high	57 Å²	57	45 Å²	45	40%	0.399	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.3	-177.3	51.5	0	0	0	0	113.8	E907	S905-E907 VanDerWaalsContact C-N 3.29Å; S905-E907 PolarHBondContact O-N 3.48Å
906	S	83.3	Confident	91.9	Very high	63 Å²	63	45.1 Å²	45.1	44%	0.441	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-2.9	-179.8	67.6	0	0	0	0	114.7	R904 R1090	R904-S906 PolarHBondContact O-N 3.18Å; S906-R1090 PolarHBondContact OG-NH2 3.06Å
907	E	86	Confident	92.1	Very high	15 Å²	15	45.7 Å²	45.7	7%	0.07	25%	0.248	C	C	.	.			trans	-107.5	141.7	-172.3	-76.9	166.9	-154.4	0	0	111.3	R818 Y820 S867 G868 L903 R904 S905	R818-E907 WeakPolarHBondContact CD-OE2 3.44Å; R818-E907 IonicContact CZ-OE1 3.99Å; R818-E907 IonicContact CZ-OE2 3.13Å; R818-E907 VanDerWaalsContact CZ-OE2 3.29Å; R818-E907 IonicContact NE-OE1 3.07Å; R818-E907 IonicContact NE-OE2 2.93Å; R818-E907 IonicContact NH1-OE1 3.85Å; R818-E907 PolarHBondContact NH1-OE1 3.42Å; R818-E907 IonicContact NH1-OE2 3.41Å; R818-E907 PolarHBondContact NH1-OE2 3.26Å; R818-E907 IonicContact NH2-OE1 3.76Å; R818-E907 PolarHBondContact NH2-OE1 3.14Å; Y820-E907 PolarHBondContact OH-OE2 3.46Å; Y820-E907 VanDerWaalsContact OH-OE2 3.05Å; S867-E907 CarbonylContact C-O 3.6Å; G868-E907 PolarHBondContact N-O 3.49Å; L903-E907 HydrophobicContact CD2-CB 4.32Å; L903-E907 VanDerWaalsContact CD2-O 3.31Å; L903-E907 WeakPolarHBondContact CD2-O 3.46Å; L903-E907 HydrophobicContact CG-CB 4.28Å; R904-E907 HydrophobicContact CB-CB 4.38Å; R904-E907 HydrophobicContact CB-CG 4.38Å; R904-E907 PolarHBondContact O-N 3.05Å; S905-E907 VanDerWaalsContact C-N 3.29Å; S905-E907 PolarHBondContact O-N 3.48Å
908	T	92.6	Very high	92	Very high	85 Å²	85	42.7 Å²	42.7	52%	0.521	24%	0.243	S	C	.	.			trans	-138	148.2	174.3	63.2	0	0	0	0	108.3	S932	T908-S932 VanDerWaalsContact O-CB 3.27Å; T908-S932 WeakPolarHBondContact O-CB 3.22Å; T908-S932 PolarHBondContact O-OG 2.91Å
909	G	93.9	Very high	91.7	Very high	11 Å²	11	42.5 Å²	42.5	11%	0.113	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-169.4	-178.2	0	0	0	0	0	113.6	V866 R931	V866-G909 PolarHBondContact N-O 3.41Å; V866-G909 PolarHBondContact O-N 2.94Å; G909-R931 CarbonylContact C-O 3.6Å; G909-R931 WeakPolarHBondContact CA-O 3.32Å
910	I	97.1	Very high	91.3	Very high	47 Å²	47	44 Å²	44	24%	0.241	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.1	175.8	-62.6	171.7	0	0	0	106.6	G863 R865 D912 V930 R931	G863-I910 WeakPolarHBondContact O-CG2 3.22Å; R865-I910 HydrophobicContact CG-CG1 4.49Å; I910-D912 PolarHBondContact O-N 3.1Å; I910-V930 CarbonylContact O-C 3.49Å; I910-V930 WeakPolarHBondContact O-CA 3.38Å; I910-R931 HydrophobicContact CB-CG 4.27Å; I910-R931 PolarHBondContact N-O 3.47Å; I910-R931 WeakPolarHBondContact O-CG 3.43Å; I910-R931 PolarHBondContact O-N 2.74Å
911	V	96.8	Very high	90.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	122.2	172.9	-176.2	0	0	0	0	108	V860 G863 T864 V866 V914 V928	V860-V911 HydrophobicContact CB-CG2 4.43Å; V860-V911 HydrophobicContact CG1-CG1 4.22Å; V860-V911 HydrophobicContact CG1-CG2 3.67Å; V860-V911 HydrophobicContact CG2-CG2 3.84Å; G863-V911 PolarHBondContact N-O 2.94Å; T864-V911 PolarHBondContact O-N 3.11Å; V866-V911 HydrophobicContact CG1-CG2 3.91Å; V866-V911 HydrophobicContact CG2-CG2 4.14Å; V911-V914 HydrophobicContact CG1-CG2 3.74Å; V911-V928 HydrophobicContact CG1-CG1 3.84Å
912	D	96.4	Very high	90.3	Very high	39 Å²	39	48.1 Å²	48.1	21%	0.209	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-53.5	-175.1	-176	55.2	0	0	0	111	I910 R929 R931	I910-D912 PolarHBondContact O-N 3.1Å; D912-R929 HydrophobicContact CB-CG 4.48Å; D912-R929 PolarHBondContact N-O 3.21Å; D912-R929 IonicContact OD2-CZ 2.78Å; D912-R929 IonicContact OD2-NE 2.77Å; D912-R929 PolarHBondContact OD2-NE 3.3Å; D912-R929 IonicContact OD2-NH2 3.12Å; D912-R929 PolarHBondContact OD2-NH2 2.97Å; D912-R931 HydrophobicContact CB-CB 4.04Å; D912-R931 HydrophobicContact CB-CG 3.96Å; D912-R931 WeakPolarHBondContact OD1-CD 3.3Å; D912-R931 IonicContact OD1-NE 3.42Å
913	Q	95.2	Very high	90	Very high	71 Å²	71	48.3 Å²	48.3	33%	0.332	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148.1	179.6	-69.4	-176.2	-7	0	0	110.3	H747 M750 R929	H747-Q913 PolarHBondContact O-OE1 3.21Å; M750-Q913 HydrophobicContact CE-CB 3.68Å; Q913-R929 PolarHBondContact N-O 2.97Å; Q913-R929 PolarHBondContact O-N 3.45Å; Q913-R929 VanDerWaalsContact OE1-NH2 3.16Å
914	V	96	Very high	90.1	Very high	41 Å²	41	50.7 Å²	50.7	25%	0.248	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.4	173.5	176.2	0	0	0	0	108.2	I859 V860 P862 V911 V916 V926 K927 V928	I859-V914 HydrophobicContact CG2-CG1 3.64Å; V860-V914 WeakPolarHBondContact O-CG2 3.41Å; P862-V914 HydrophobicContact CG-CB 4.23Å; P862-V914 HydrophobicContact CG-CG2 4.09Å; V911-V914 HydrophobicContact CG1-CG2 3.74Å; V914-V916 HydrophobicContact CG1-CG2 4.37Å; V914-V926 HydrophobicContact CG1-CG1 4.38Å; V914-K927 WeakPolarHBondContact CA-O 3.46Å; V914-V928 HydrophobicContact CG1-CG2 4.29Å; V914-V928 HydrophobicContact CG2-CB 4.47Å; V914-V928 HydrophobicContact CG2-CG1 4.11Å; V914-V928 HydrophobicContact CG2-CG2 4.12Å
915	M	93.9	Very high	90.3	Very high	32 Å²	32	45.5 Å²	45.5	16%	0.158	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.2	177.6	-177.7	-154.5	80.5	0	0	108.5	L120 M750 F925 V926 K927	L120-M915 HydrophobicContact CB-SD 3.8Å; L120-M915 HydrophobicContact CD2-SD 3.97Å; L120-M915 HydrophobicContact CG-SD 4.3Å; L120-M915 WeakPolarHBondContact O-CE 3.37Å; M750-M915 HydrophobicContact CE-CB 3.86Å; M915-F925 HydrophobicContact CE-CD1 4.02Å; M915-F925 HydrophobicContact CE-CE1 3.88Å; M915-V926 CarbonylContact O-C 3.43Å; M915-V926 WeakPolarHBondContact O-CA 3.37Å; M915-K927 HydrophobicContact CB-CB 4.44Å; M915-K927 HydrophobicContact CE-CB 4.07Å; M915-K927 HydrophobicContact CE-CD 3.82Å; M915-K927 HydrophobicContact CE-CG 3.96Å; M915-K927 PolarHBondContact N-O 3.04Å; M915-K927 PolarHBondContact O-N 3.03Å
916	V	94.7	Very high	91	Very high	74 Å²	74	42.8 Å²	42.8	45%	0.448	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.9	170.9	-175.1	0	0	0	0	107.4	I859 V914 K924 V926	I859-V916 HydrophobicContact CD1-CG2 3.74Å; V914-V916 HydrophobicContact CG1-CG2 4.37Å; V916-K924 HydrophobicContact CG1-CG 4.06Å; V916-V926 HydrophobicContact CG1-CG2 4.37Å; V916-V926 HydrophobicContact CG2-CG2 4.29Å
917	S	92.5	Very high	91.5	Very high	33 Å²	33	40.3 Å²	40.3	23%	0.231	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-174.1	-179.5	-163.8	0	0	0	0	110.6	R121 F925	R121-S917 WeakPolarHBondContact CG-OG 3.34Å; S917-F925 PolarHBondContact N-O 3.31Å; S917-F925 PolarHBondContact O-N 2.84Å; S917-F925 VanDerWaalsContact O-O 3.14Å
918	L	90	Very high	92	Very high	83 Å²	83	39.6 Å²	39.6	44%	0.435	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.4	173.9	-62.3	176.9	0	0	0	109.2	R121 N923	R121-L918 PolarHBondContact NE-O 2.82Å; L918-N923 WeakPolarHBondContact CA-O 3.36Å
919	N	86.1	Confident	92.2	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.059	21%	0.206	C	C	.	.			trans	-76.3	-177.7	172.8	70.9	6.2	0	0	0	111.3	Q823 D921 G922 N923 F925	Q823-N919 PolarHBondContact OE1-ND2 3.46Å; N919-D921 PolarHBondContact O-N 3.48Å; N919-D921 WeakPolarHBondContact OD1-CA 3.11Å; N919-D921 PolarHBondContact OD1-N 3Å; N919-G922 VanDerWaalsContact O-CA 3.31Å; N919-G922 WeakPolarHBondContact O-CA 2.99Å; N919-G922 PolarHBondContact O-N 2.94Å; N919-G922 PolarHBondContact OD1-N 3.2Å; N919-N923 PolarHBondContact N-O 3.37Å; N919-N923 PolarHBondContact OD1-N 3.46Å; N919-N923 PolarHBondContact OD1-O 3.21Å; N919-F925 HydrophobicContact CB-CB 4.15Å
920	A	83.5	Confident	92.3	Very high	69 Å²	69	35.7 Å²	35.7	57%	0.57	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.3	178.7	0	0	0	0	0	113.9	L123	L123-A920 HydrophobicContact CD2-CB 3.72Å
921	D	82.5	Confident	92.2	Very high	116 Å²	116	37.2 Å²	37.2	62%	0.62	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.1	175.6	-55.1	-42	0	0	0	111.6	K106 N919 N923	K106-D921 VanDerWaalsContact CE-C 3.45Å; K106-D921 WeakPolarHBondContact CE-O 3.37Å; K106-D921 PolarHBondContact NZ-O 2.93Å; N919-D921 PolarHBondContact O-N 3.48Å; N919-D921 WeakPolarHBondContact OD1-CA 3.11Å; N919-D921 PolarHBondContact OD1-N 3Å; D921-N923 VanDerWaalsContact C-N 3.33Å; D921-N923 PolarHBondContact O-N 3.3Å
922	G	83.6	Confident	92.1	Very high	14 Å²	14	38 Å²	38	14%	0.144	21%	0.211	C	C	.	.			trans	55.1	35.9	-173.5	0	0	0	0	0	115.7	K106 N919	K106-G922 PolarHBondContact NZ-O 3.11Å; N919-G922 VanDerWaalsContact O-CA 3.31Å; N919-G922 WeakPolarHBondContact O-CA 2.99Å; N919-G922 PolarHBondContact O-N 2.94Å; N919-G922 PolarHBondContact OD1-N 3.2Å
923	N	87.5	Confident	92.1	Very high	35 Å²	35	40 Å²	40	19%	0.187	22%	0.221	C	C	.	.			trans	-85.3	155.8	162.9	-58.3	-13.2	0	0	0	109.6	E824 L918 N919 D921 F925	E824-N923 HydrophobicContact CB-CB 4.41Å; E824-N923 WeakPolarHBondContact O-CB 3.43Å; E824-N923 PolarHBondContact O-ND2 3.33Å; L918-N923 WeakPolarHBondContact CA-O 3.36Å; N919-N923 PolarHBondContact N-O 3.37Å; N919-N923 PolarHBondContact OD1-N 3.46Å; N919-N923 PolarHBondContact OD1-O 3.21Å; D921-N923 VanDerWaalsContact C-N 3.33Å; D921-N923 PolarHBondContact O-N 3.3Å; N923-F925 PolarHBondContact O-N 2.89Å
924	K	91.6	Very high	92.1	Very high	55 Å²	55	37.4 Å²	37.4	24%	0.239	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	130	175.3	-164.7	-178.8	177.4	-173.3	0	110	Q823 E824 V916	Q823-K924 WeakPolarHBondContact CA-O 3.46Å; E824-K924 HydrophobicContact CG-CB 4.1Å; E824-K924 PolarHBondContact N-O 2.94Å; E824-K924 WeakPolarHBondContact OE2-CB 3.46Å; V916-K924 HydrophobicContact CG1-CG 4.06Å
925	F	92.5	Very high	92.1	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.9	-176.8	175.3	-107.1	0	0	0	109.5	N122 R821 D822 Q823 M915 S917 N919 N923 K927	N122-F925 WeakPolarHBondContact ND2-CE2 3.34Å; N122-F925 WeakPolarHBondContact ND2-CZ 3.27Å; R821-F925 HydrophobicContact CB-CE2 3.98Å; R821-F925 HydrophobicContact CB-CZ 3.86Å; D822-F925 VanDerWaalsContact O-CD2 3.23Å; D822-F925 WeakPolarHBondContact O-CD2 3.41Å; Q823-F925 HydrophobicContact CB-CD2 3.91Å; M915-F925 HydrophobicContact CE-CD1 4.02Å; M915-F925 HydrophobicContact CE-CE1 3.88Å; S917-F925 PolarHBondContact N-O 3.31Å; S917-F925 PolarHBondContact O-N 2.84Å; S917-F925 VanDerWaalsContact O-O 3.14Å; N919-F925 HydrophobicContact CB-CB 4.15Å; N923-F925 PolarHBondContact O-N 2.89Å; F925-K927 HydrophobicContact CE1-CD 3.75Å; F925-K927 VanDerWaalsContact CE1-CE 3.43Å; F925-K927 HydrophobicContact CE1-CG 3.49Å; F925-K927 VanDerWaalsContact CE1-CG 3.49Å; F925-K927 HydrophobicContact CZ-CD 3.94Å; F925-K927 HydrophobicContact CZ-CG 3.49Å; F925-K927 VanDerWaalsContact CZ-CG 3.49Å
926	V	95	Very high	92.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.6	-174.9	-176.9	0	0	0	0	109.9	R821 D822 I835 I859 I873 V914 M915 V916 V928	R821-V926 VanDerWaalsContact CA-O 3.27Å; R821-V926 WeakPolarHBondContact CA-O 3.45Å; D822-V926 PolarHBondContact N-O 3.3Å; D822-V926 PolarHBondContact O-N 2.84Å; I835-V926 HydrophobicContact CD1-CB 4.41Å; I835-V926 HydrophobicContact CD1-CG2 3.6Å; I859-V926 HydrophobicContact CD1-CB 4.48Å; I859-V926 HydrophobicContact CD1-CG1 3.93Å; I859-V926 HydrophobicContact CD1-CG2 3.67Å; I859-V926 HydrophobicContact CG1-CG1 4.42Å; I859-V926 HydrophobicContact CG2-CG1 4.13Å; I873-V926 HydrophobicContact CD1-CB 4.43Å; I873-V926 HydrophobicContact CD1-CG1 4.21Å; I873-V926 HydrophobicContact CG1-CG1 4.49Å; V914-V926 HydrophobicContact CG1-CG1 4.38Å; M915-V926 CarbonylContact O-C 3.43Å; M915-V926 WeakPolarHBondContact O-CA 3.37Å; V916-V926 HydrophobicContact CG1-CG2 4.37Å; V916-V926 HydrophobicContact CG2-CG2 4.29Å; V926-V928 HydrophobicContact CG1-CG2 3.99Å
927	K	95.4	Very high	92.2	Very high	12 Å²	12	37 Å²	37	5%	0.052	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.8	166.6	-71.6	-179.4	172	169.4	0	109.9	R119 L120 N122 M750 Y820 R821 V914 M915 F925	R119-K927 PolarHBondContact O-NZ 3.48Å; L120-K927 WeakPolarHBondContact O-CE 3.42Å; L120-K927 PolarHBondContact O-NZ 3.37Å; N122-K927 WeakPolarHBondContact OD1-CE 3.09Å; N122-K927 PolarHBondContact OD1-NZ 3.21Å; M750-K927 HydrophobicContact CB-CD 3.87Å; M750-K927 HydrophobicContact CG-CD 4.44Å; Y820-K927 CarbonylContact O-C 3.54Å; Y820-K927 VanDerWaalsContact O-CA 3.27Å; Y820-K927 WeakPolarHBondContact O-CA 3.43Å; R821-K927 HydrophobicContact CB-CG 4Å; V914-K927 WeakPolarHBondContact CA-O 3.46Å; M915-K927 HydrophobicContact CB-CB 4.44Å; M915-K927 HydrophobicContact CE-CB 4.07Å; M915-K927 HydrophobicContact CE-CD 3.82Å; M915-K927 HydrophobicContact CE-CG 3.96Å; M915-K927 PolarHBondContact N-O 3.04Å; M915-K927 PolarHBondContact O-N 3.03Å; F925-K927 HydrophobicContact CE1-CD 3.75Å; F925-K927 VanDerWaalsContact CE1-CE 3.43Å; F925-K927 HydrophobicContact CE1-CG 3.49Å; F925-K927 VanDerWaalsContact CE1-CG 3.49Å; F925-K927 HydrophobicContact CZ-CD 3.94Å; F925-K927 HydrophobicContact CZ-CG 3.49Å; F925-K927 VanDerWaalsContact CZ-CG 3.49Å
928	V	96	Very high	92.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.5	176.5	179	0	0	0	0	108.4	S819 Y820 I859 V860 I873 V911 V914 V926 V930	S819-V928 CarbonylContact C-O 3.3Å; S819-V928 WeakPolarHBondContact CA-O 3.32Å; Y820-V928 PolarHBondContact N-O 3.26Å; Y820-V928 PolarHBondContact O-N 3.08Å; I859-V928 HydrophobicContact CG2-CG2 4.17Å; V860-V928 HydrophobicContact CG1-CG1 3.95Å; I873-V928 HydrophobicContact CD1-CG2 4Å; I873-V928 HydrophobicContact CG1-CG2 3.85Å; V911-V928 HydrophobicContact CG1-CG1 3.84Å; V914-V928 HydrophobicContact CG1-CG2 4.29Å; V914-V928 HydrophobicContact CG2-CB 4.47Å; V914-V928 HydrophobicContact CG2-CG1 4.11Å; V914-V928 HydrophobicContact CG2-CG2 4.12Å; V926-V928 HydrophobicContact CG1-CG2 3.99Å; V928-V930 HydrophobicContact CG1-CG2 4.39Å
929	R	96.4	Very high	92.6	Very high	6 Å²	6	37.3 Å²	37.3	2%	0.023	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.9	175.3	-171	169.7	76.1	-160.1	-2.9	109.9	F746 H747 R749 M750 Y817 R818 D912 Q913	F746-R929 PolarHBondContact O-NH1 3.33Å; H747-R929 VanDerWaalsContact O-CZ 3.31Å; H747-R929 PolarHBondContact O-NH1 3.07Å; H747-R929 PolarHBondContact O-NH2 3.02Å; R749-R929 PolarHBondContact O-NH1 2.94Å; M750-R929 HydrophobicContact CE-CB 4.34Å; M750-R929 HydrophobicContact SD-CB 3.68Å; M750-R929 HydrophobicContact SD-CG 4.41Å; Y817-R929 HydrophobicContact CD1-CG 4.16Å; R818-R929 CarbonylContact O-C 3.57Å; R818-R929 WeakPolarHBondContact O-CA 3.29Å; D912-R929 HydrophobicContact CB-CG 4.48Å; D912-R929 PolarHBondContact N-O 3.21Å; D912-R929 IonicContact OD2-CZ 2.78Å; D912-R929 IonicContact OD2-NE 2.77Å; D912-R929 PolarHBondContact OD2-NE 3.3Å; D912-R929 IonicContact OD2-NH2 3.12Å; D912-R929 PolarHBondContact OD2-NH2 2.97Å; Q913-R929 PolarHBondContact N-O 2.97Å; Q913-R929 PolarHBondContact O-N 3.45Å; Q913-R929 VanDerWaalsContact OE1-NH2 3.16Å
930	V	96.1	Very high	93.1	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130	176.5	-177.4	0	0	0	0	108.5	Y817 R818 Y820 V866 L903 I910 V928	Y817-V930 WeakPolarHBondContact CA-O 3.37Å; R818-V930 PolarHBondContact N-O 3.18Å; R818-V930 PolarHBondContact O-N 2.92Å; Y820-V930 HydrophobicContact CD2-CG2 4.36Å; Y820-V930 HydrophobicContact CE2-CG2 4.4Å; V866-V930 HydrophobicContact CG2-CG1 3.88Å; V866-V930 HydrophobicContact CG2-CG2 4.34Å; L903-V930 HydrophobicContact CD1-CG1 4.49Å; L903-V930 HydrophobicContact CD1-CG2 4.17Å; I910-V930 CarbonylContact O-C 3.49Å; I910-V930 WeakPolarHBondContact O-CA 3.38Å; V928-V930 HydrophobicContact CG1-CG2 4.39Å
931	R	95.6	Very high	93.7	Very high	79 Å²	79	37 Å²	37	30%	0.298	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	140.3	174.4	66.3	177.4	-179.7	88.7	0.7	111.2	T815 F816 Y817 G909 I910 D912	T815-R931 HydrophobicContact CG2-CB 4.08Å; F816-R931 CarbonylContact O-C 3.52Å; F816-R931 WeakPolarHBondContact O-CA 3.37Å; Y817-R931 HydrophobicContact CD1-CB 3.81Å; Y817-R931 HydrophobicContact CE1-CB 3.72Å; G909-R931 CarbonylContact C-O 3.6Å; G909-R931 WeakPolarHBondContact CA-O 3.32Å; I910-R931 HydrophobicContact CB-CG 4.27Å; I910-R931 PolarHBondContact N-O 3.47Å; I910-R931 WeakPolarHBondContact O-CG 3.43Å; I910-R931 PolarHBondContact O-N 2.74Å; D912-R931 HydrophobicContact CB-CB 4.04Å; D912-R931 HydrophobicContact CB-CG 3.96Å; D912-R931 WeakPolarHBondContact OD1-CD 3.3Å; D912-R931 IonicContact OD1-NE 3.42Å
932	S	94.6	Very high	94.4	Very high	17 Å²	17	31.6 Å²	31.6	12%	0.119	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	129.7	176.6	-174.3	0	0	0	0	109	F816 T908	F816-S932 PolarHBondContact N-O 3.33Å; F816-S932 PolarHBondContact O-N 3.2Å; T908-S932 VanDerWaalsContact O-CB 3.27Å; T908-S932 WeakPolarHBondContact O-CB 3.22Å; T908-S932 PolarHBondContact O-OG 2.91Å
933	I	95.4	Very high	95	Very high	82 Å²	82	31 Å²	31	42%	0.421	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.7	177.8	-60.3	169.1	0	0	0	107.8	W758 V935	W758-I933 HydrophobicContact CH2-CD1 4.46Å; W758-I933 HydrophobicContact CH2-CG2 4.35Å; W758-I933 HydrophobicContact CZ2-CD1 4Å; W758-I933 HydrophobicContact CZ2-CG1 4.12Å; W758-I933 HydrophobicContact CZ2-CG2 3.67Å; I933-V935 HydrophobicContact CG2-CG2 4.41Å
934	R	94.9	Very high	95.4	Very high	16 Å²	16	29.3 Å²	29.3	6%	0.06	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	104.6	178.7	-57.7	-60.3	-170.7	118	15.4	108.9	S814 F816 R1062 M1066 D1068 D1069	S814-R934 PolarHBondContact N-O 3.13Å; S814-R934 VanDerWaalsContact N-O 3.15Å; S814-R934 PolarHBondContact O-N 3.03Å; F816-R934 HydrophobicContact CB-CG 3.97Å; R934-R1062 PolarHBondContact O-NH1 2.91Å; R934-M1066 HydrophobicContact CB-SD 3.68Å; R934-M1066 HydrophobicContact CG-CE 4.02Å; R934-M1066 HydrophobicContact CG-SD 3.67Å; R934-D1068 IonicContact NH1-OD2 3.73Å; R934-D1068 PolarHBondContact NH1-OD2 3.48Å; R934-D1069 IonicContact CZ-OD1 3.34Å; R934-D1069 IonicContact NH1-OD1 2.69Å; R934-D1069 PolarHBondContact NH1-OD1 2.87Å; R934-D1069 VanDerWaalsContact NH1-OD1 3.08Å; R934-D1069 IonicContact NH2-OD1 3.51Å; R934-D1069 PolarHBondContact NH2-OD1 2.85Å; R934-D1069 IonicContact NH2-OD2 3.28Å
935	V	96.4	Very high	95.6	Very high	65 Å²	65	26.7 Å²	26.7	39%	0.394	14%	0.137	S	C	.	.			trans	-81.5	137.4	171.8	-175.9	0	0	0	0	108.3	I807 I933 Q937 R1062	I807-V935 HydrophobicContact CG2-CG1 3.46Å; I807-V935 VanDerWaalsContact CG2-CG1 3.46Å; I933-V935 HydrophobicContact CG2-CG2 4.41Å; V935-Q937 PolarHBondContact O-N 2.84Å; V935-R1062 PolarHBondContact O-NH2 3.12Å
936	P	96.8	Very high	95.8	Very high	7 Å²	7	26.5 Å²	26.5	5%	0.045	14%	0.137	C	C	.	.			trans	-52.8	132.5	170.5	-29.7	36.9	0	0	0	112.4	I807 L811 F812 F942 I952	I807-P936 HydrophobicContact CD1-CB 4.14Å; I807-P936 HydrophobicContact CG1-CB 4.23Å; I807-P936 HydrophobicContact CG2-CB 4.28Å; I807-P936 HydrophobicContact CG2-CG 4.4Å; L811-P936 WeakPolarHBondContact O-CG 3.37Å; F812-P936 HydrophobicContact CB-CG 3.8Å; P936-F942 HydrophobicContact CB-CZ 3.97Å; P936-F942 HydrophobicContact CG-CZ 4.26Å; P936-I952 HydrophobicContact CB-CD1 4.1Å
937	Q	94.9	Very high	95.7	Very high	67 Å²	67	26.6 Å²	26.6	31%	0.313	14%	0.138	S	C	.	.			trans	-144.1	168.7	179.8	63.6	178.7	-13	0	0	112	V935 G939 D940 I952 V1067 D1068	V935-Q937 PolarHBondContact O-N 2.84Å; Q937-G939 PolarHBondContact O-N 2.89Å; Q937-D940 WeakPolarHBondContact O-CB 3.3Å; Q937-D940 PolarHBondContact O-N 3.01Å; Q937-I952 WeakPolarHBondContact O-CD1 3.4Å; Q937-V1067 HydrophobicContact CG-CG1 3.85Å; Q937-D1068 PolarHBondContact NE2-OD1 2.94Å; Q937-D1068 PolarHBondContact NE2-OD2 3.24Å
938	M	96.1	Very high	95.5	Very high	92 Å²	92	26.5 Å²	26.5	45%	0.453	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	132.2	177.8	-59.8	178.5	-161.5	0	0	111.2	I952 M954 V1067	M938-I952 WeakPolarHBondContact CA-O 3.03Å; M938-I952 HydrophobicContact CG-CG2 4.39Å; M938-M954 HydrophobicContact CE-SD 3.53Å; M938-M954 VanDerWaalsContact CE-SD 3.53Å; M938-M954 HydrophobicContact SD-SD 4.36Å; M938-V1067 WeakPolarHBondContact O-CG1 3.25Å
939	G	94.7	Very high	95.4	Very high	30 Å²	30	31.5 Å²	31.5	31%	0.309	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-12	-176.7	0	0	0	0	0	116.1	Q937 I952	Q937-G939 PolarHBondContact O-N 2.89Å; G939-I952 PolarHBondContact N-O 2.76Å
940	D	96.4	Very high	95.2	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.011	16%	0.162	C	C	.	.			trans	-66.8	146	169.7	-80.7	0.3	0	0	0	110.9	Q937 F942 T951 I952 R1062 M1066 V1067	Q937-D940 WeakPolarHBondContact O-CB 3.3Å; Q937-D940 PolarHBondContact O-N 3.01Å; D940-F942 HydrophobicContact CB-CE2 3.88Å; D940-T951 VanDerWaalsContact O-CA 3.31Å; D940-T951 WeakPolarHBondContact O-CA 3.48Å; D940-I952 PolarHBondContact O-N 3.34Å; D940-I952 VanDerWaalsContact O-N 3.1Å; D940-R1062 IonicContact OD2-CZ 3.16Å; D940-R1062 IonicContact OD2-NE 2.64Å; D940-R1062 IonicContact OD2-NH2 3.11Å; D940-R1062 PolarHBondContact OD2-NH2 3.21Å; D940-M1066 VanDerWaalsContact OD1-CA 3.25Å; D940-M1066 WeakPolarHBondContact OD1-CA 3.45Å; D940-M1066 WeakPolarHBondContact OD1-CB 3.19Å; D940-V1067 PolarHBondContact OD1-N 3.5Å; D940-V1067 VanDerWaalsContact OD1-N 3.08Å
941	K	96.5	Very high	95.2	Very high	72 Å²	72	33.6 Å²	33.6	31%	0.313	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.4	-175.8	-56.3	-158.5	173.2	-167	0	112.7	G950 T951 L1063 H1065	K941-G950 WeakPolarHBondContact CA-O 3.46Å; K941-T951 HydrophobicContact CD-CG2 4.44Å; K941-T951 HydrophobicContact CG-CG2 3.91Å; K941-L1063 HydrophobicContact CB-CB 4.2Å; K941-L1063 HydrophobicContact CB-CD1 4.08Å; K941-L1063 HydrophobicContact CB-CG 4.49Å; K941-L1063 WeakPolarHBondContact O-CB 3.43Å; K941-L1063 PolarHBondContact O-N 3.2Å; K941-H1065 HydrophobicContact CB-CB 4.36Å; K941-H1065 HydrophobicContact CD-CB 3.98Å; K941-H1065 HydrophobicContact CG-CB 4.1Å; K941-H1065 PolarHBondContact N-O 3.37Å
942	F	96.8	Very high	95.3	Very high	2 Å²	2	30 Å²	30	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	156.1	174.2	-67.3	-97.1	0	0	0	109.6	M802 F812 P936 D940 K949 G950 I952 Y1060 Q1061 R1062	M802-F942 HydrophobicContact CE-CE1 4.24Å; M802-F942 HydrophobicContact CE-CZ 4.39Å; M802-F942 HydrophobicContact SD-CD2 4.2Å; M802-F942 HydrophobicContact SD-CE1 4.37Å; M802-F942 HydrophobicContact SD-CE2 3.99Å; M802-F942 HydrophobicContact SD-CZ 4.06Å; F812-F942 HydrophobicContact CB-CE1 3.87Å; F812-F942 HydrophobicContact CB-CZ 4.41Å; F812-F942 HydrophobicContact CD1-CE1 4.24Å; F812-F942 HydrophobicContact CD2-CD1 4.22Å; F812-F942 AromaticContact CD2-CE1 3.64Å; F812-F942 HydrophobicContact CD2-CE1 3.64Å; F812-F942 HydrophobicContact CE2-CD1 4.38Å; F812-F942 HydrophobicContact CE2-CE1 4.24Å; F812-F942 HydrophobicContact CG-CD1 4.44Å; F812-F942 AromaticContact CG-CE1 3.68Å; F812-F942 HydrophobicContact CG-CE1 3.68Å; P936-F942 HydrophobicContact CB-CZ 3.97Å; P936-F942 HydrophobicContact CG-CZ 4.26Å; D940-F942 HydrophobicContact CB-CE2 3.88Å; F942-K949 CarbonylContact O-C 3.53Å; F942-K949 WeakPolarHBondContact O-CA 3.39Å; F942-G950 PolarHBondContact N-O 3.16Å; F942-G950 PolarHBondContact O-N 3.06Å; F942-G950 VanDerWaalsContact O-O 3.11Å; F942-I952 HydrophobicContact CD2-CD1 4.15Å; F942-I952 HydrophobicContact CD2-CG1 3.81Å; F942-I952 HydrophobicContact CE2-CD1 3.42Å; F942-I952 VanDerWaalsContact CE2-CD1 3.42Å; F942-I952 HydrophobicContact CE2-CG1 3.6Å; F942-I952 HydrophobicContact CZ-CD1 4.07Å; F942-Y1060 HydrophobicContact CB-CD1 4.47Å; F942-Q1061 CarbonylContact C-O 3.53Å; F942-Q1061 WeakPolarHBondContact CA-O 3.4Å; F942-R1062 HydrophobicContact CD1-CB 4.03Å; F942-R1062 HydrophobicContact CD1-CG 4.1Å; F942-R1062 HydrophobicContact CE1-CB 3.67Å; F942-R1062 HydrophobicContact CE1-CG 3.47Å; F942-R1062 VanDerWaalsContact CE1-CG 3.47Å; F942-R1062 HydrophobicContact CE2-CG 4.39Å; F942-R1062 HydrophobicContact CZ-CB 4.35Å; F942-R1062 HydrophobicContact CZ-CG 3.63Å
943	A	96	Very high	95.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.3	171.4	0	0	0	0	0	111.5	M734 Q948 K949 Q1061 L1063	M734-A943 HydrophobicContact SD-CB 4.07Å; A943-Q948 WeakPolarHBondContact CA-O 3.46Å; A943-K949 HydrophobicContact CB-CB 4.44Å; A943-Q1061 PolarHBondContact N-O 2.58Å; A943-Q1061 PolarHBondContact O-N 3.16Å; A943-L1063 HydrophobicContact CB-CD1 4.18Å; A943-L1063 HydrophobicContact CB-CD2 4.25Å; A943-L1063 HydrophobicContact CB-CG 4.39Å
944	S	95.5	Very high	95.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.			trans	-75.4	-175.7	163.9	75.8	0	0	0	0	110.6	Q731 H946 Q948	Q731-S944 PolarHBondContact NE2-O 2.88Å; Q731-S944 PolarHBondContact OE1-O 3.15Å; S944-H946 VanDerWaalsContact C-N 3.26Å; S944-H946 PolarHBondContact O-N 3.2Å; S944-H946 PolarHBondContact OG-N 2.97Å; S944-H946 VanDerWaalsContact OG-N 3.16Å; S944-Q948 PolarHBondContact N-O 2.72Å; S944-Q948 VanDerWaalsContact N-O 3.1Å
945	R	96.3	Very high	95.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	7.4	170.7	-66.9	-169.6	-68.4	175	-6.9	114.7	I716 I717 P718 Q731 V765 E990 Y1059	I716-R945 WeakPolarHBondContact O-CD 3.42Å; I716-R945 PolarHBondContact O-NH1 3.48Å; I717-R945 WeakPolarHBondContact CG2-O 3.22Å; P718-R945 HydrophobicContact CG-CB 4.42Å; Q731-R945 VanDerWaalsContact CD-C 3.5Å; Q731-R945 WeakPolarHBondContact CG-O 3.42Å; V765-R945 VanDerWaalsContact O-CZ 3.27Å; V765-R945 PolarHBondContact O-NH1 2.72Å; V765-R945 PolarHBondContact O-NH2 2.56Å; R945-E990 IonicContact CZ-OE1 2.78Å; R945-E990 IonicContact NE-OE1 3.12Å; R945-E990 PolarHBondContact NE-OE1 3.06Å; R945-E990 IonicContact NE-OE2 2.85Å; R945-E990 VanDerWaalsContact NH2-CD 3.29Å; R945-E990 IonicContact NH2-OE1 2.66Å; R945-E990 PolarHBondContact NH2-OE1 3.47Å; R945-Y1059 HydrophobicContact CG-CD1 3.87Å
946	H	96.7	Very high	95.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	22.9	-174.9	-64.3	-85.2	0	0	0	113.5	P718 N723 S944 Q948 T984 G986 H987 E990	P718-H946 WeakPolarHBondContact CG-NE2 3.38Å; P718-H946 PolarHBondContact O-CE1 3.01Å; N723-H946 PolarHBondContact ND2-ND1 2.86Å; N723-H946 PolarHBondContact OD1-ND1 3.03Å; S944-H946 VanDerWaalsContact C-N 3.26Å; S944-H946 PolarHBondContact O-N 3.2Å; S944-H946 PolarHBondContact OG-N 2.97Å; S944-H946 VanDerWaalsContact OG-N 3.16Å; H946-Q948 VanDerWaalsContact C-N 3.27Å; H946-Q948 PolarHBondContact O-N 3.15Å; H946-T984 HydrophobicContact CB-CG2 4.3Å; H946-T984 WeakPolarHBondContact O-CG2 3.38Å; H946-G986 PolarHBondContact CE1-O 3.5Å; H946-G986 PolarHBondContact NE2-O 3.39Å; H946-H987 HydrophobicContact CB-CB 4.03Å; H946-H987 WeakPolarHBondContact CD2-CA 3.39Å; H946-H987 PolarHBondContact CE1-N 3.23Å; H946-H987 VanDerWaalsContact CE1-N 3.33Å; H946-H987 PolarHBondContact ND1-N 3.33Å; H946-H987 WeakPolarHBondContact NE2-CA 3.46Å; H946-H987 PolarHBondContact NE2-N 2.79Å; H946-E990 IonicContact CD2-OE2 3.12Å; H946-E990 PolarHBondContact CD2-OE2 3.19Å; H946-E990 VanDerWaalsContact CD2-OE2 3.28Å; H946-E990 IonicContact NE2-OE2 3.99Å; H946-E990 PolarHBondContact NE2-OE2 3.21Å
947	G	92.2	Very high	95.6	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	72.6	20.3	179.7	0	0	0	0	0	113.9	Q731 M734	Q731-G947 VanDerWaalsContact OE1-N 3.08Å; M734-G947 VanDerWaalsContact CE-CA 3.43Å
948	Q	92.1	Very high	95.7	Very high	10 Å²	10	34 Å²	34	5%	0.047	18%	0.175	C	C	.	.			trans	-95.9	94.7	173	-64.3	-170.5	3.6	0	0	109.8	A943 S944 H946 T984 H987	A943-Q948 WeakPolarHBondContact CA-O 3.46Å; S944-Q948 PolarHBondContact N-O 2.72Å; S944-Q948 VanDerWaalsContact N-O 3.1Å; H946-Q948 VanDerWaalsContact C-N 3.27Å; H946-Q948 PolarHBondContact O-N 3.15Å; Q948-T984 HydrophobicContact CG-CG2 4.34Å; Q948-T984 PolarHBondContact NE2-OG1 3.44Å; Q948-H987 PolarHBondContact NE2-ND1 3Å; Q948-H987 VanDerWaalsContact NE2-ND1 3.12Å; Q948-H987 PolarHBondContact OE1-CE1 3.46Å; Q948-H987 PolarHBondContact OE1-ND1 2.78Å
949	K	93.3	Very high	95.7	Very high	104 Å²	104	34.1 Å²	34.1	45%	0.452	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.3	169.6	63.2	-171.6	179.7	-164.5	0	110.3	M734 F942 A943	M734-K949 HydrophobicContact SD-CB 3.71Å; M734-K949 HydrophobicContact SD-CD 4.16Å; M734-K949 HydrophobicContact SD-CG 4.36Å; F942-K949 CarbonylContact O-C 3.53Å; F942-K949 WeakPolarHBondContact O-CA 3.39Å; A943-K949 HydrophobicContact CB-CB 4.44Å
950	G	92.7	Very high	95.7	Very high	9 Å²	9	34.8 Å²	34.8	9%	0.093	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	162	168.5	0	0	0	0	0	112.8	D798 K941 F942	D798-G950 CarbonylContact O-C 3.58Å; D798-G950 WeakPolarHBondContact O-CA 3.25Å; K941-G950 WeakPolarHBondContact CA-O 3.46Å; F942-G950 PolarHBondContact N-O 3.16Å; F942-G950 PolarHBondContact O-N 3.06Å; F942-G950 VanDerWaalsContact O-O 3.11Å
951	T	96.6	Very high	95.7	Very high	49 Å²	49	34.7 Å²	34.7	30%	0.301	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.5	173.2	56.6	0	0	0	0	110.6	D798 S799 V800 D940 K941 G953	D798-T951 PolarHBondContact O-N 2.79Å; S799-T951 CarbonylContact C-O 3.51Å; S799-T951 VanDerWaalsContact CA-O 3.23Å; S799-T951 WeakPolarHBondContact CA-O 3.32Å; V800-T951 PolarHBondContact N-O 3.41Å; D940-T951 VanDerWaalsContact O-CA 3.31Å; D940-T951 WeakPolarHBondContact O-CA 3.48Å; K941-T951 HydrophobicContact CD-CG2 4.44Å; K941-T951 HydrophobicContact CG-CG2 3.91Å; T951-G953 PolarHBondContact O-N 3.03Å; T951-G953 VanDerWaalsContact O-N 3.07Å
952	I	97.1	Very high	95.6	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	115.9	171	-56.7	-177.4	0	0	0	108.6	V800 M802 P936 Q937 M938 G939 D940 F942 T955	V800-I952 HydrophobicContact CG2-CG1 4.44Å; V800-I952 WeakPolarHBondContact O-CA 3.47Å; M802-I952 HydrophobicContact CG-CD1 4.14Å; M802-I952 HydrophobicContact CG-CG1 4.06Å; M802-I952 HydrophobicContact SD-CD1 3.23Å; M802-I952 WeakPolarHBondContact SD-CD1 3.48Å; M802-I952 HydrophobicContact SD-CG1 3.49Å; M802-I952 WeakPolarHBondContact SD-CG1 3.3Å; P936-I952 HydrophobicContact CB-CD1 4.1Å; Q937-I952 WeakPolarHBondContact O-CD1 3.4Å; M938-I952 WeakPolarHBondContact CA-O 3.03Å; M938-I952 HydrophobicContact CG-CG2 4.39Å; G939-I952 PolarHBondContact N-O 2.76Å; D940-I952 PolarHBondContact O-N 3.34Å; D940-I952 VanDerWaalsContact O-N 3.1Å; F942-I952 HydrophobicContact CD2-CD1 4.15Å; F942-I952 HydrophobicContact CD2-CG1 3.81Å; F942-I952 HydrophobicContact CE2-CD1 3.42Å; F942-I952 VanDerWaalsContact CE2-CD1 3.42Å; F942-I952 HydrophobicContact CE2-CG1 3.6Å; F942-I952 HydrophobicContact CZ-CD1 4.07Å; I952-T955 HydrophobicContact CG2-CG2 3.79Å
953	G	96.3	Very high	95.6	Very high	26 Å²	26	34.4 Å²	34.4	27%	0.268	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-42.8	175.9	0	0	0	0	0	112.1	V800 T951	V800-G953 PolarHBondContact O-N 2.97Å; T951-G953 PolarHBondContact O-N 3.03Å; T951-G953 VanDerWaalsContact O-N 3.07Å
954	M	96.5	Very high	95.4	Very high	40 Å²	40	34.5 Å²	34.5	20%	0.197	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153.8	176.9	-172.2	59.5	73.5	0	0	110.8	Y794 I801 M802 M938 Y956	Y794-M954 VanDerWaalsContact CB-CB 3.5Å; Y794-M954 HydrophobicContact CD1-CB 4.06Å; Y794-M954 HydrophobicContact CD1-CE 3.82Å; Y794-M954 HydrophobicContact CD2-CB 4.05Å; Y794-M954 HydrophobicContact CD2-CE 4.29Å; Y794-M954 HydrophobicContact CD2-CG 4.2Å; Y794-M954 HydrophobicContact CE1-CE 3.47Å; Y794-M954 VanDerWaalsContact CE1-CE 3.47Å; Y794-M954 HydrophobicContact CE2-CE 3.98Å; Y794-M954 HydrophobicContact CG-CB 3.62Å; Y794-M954 HydrophobicContact CG-CE 4.22Å; Y794-M954 HydrophobicContact CG-CG 4.23Å; I801-M954 WeakPolarHBondContact CA-O 3.25Å; M802-M954 PolarHBondContact N-O 2.85Å; M938-M954 HydrophobicContact CE-SD 3.53Å; M938-M954 VanDerWaalsContact CE-SD 3.53Å; M938-M954 HydrophobicContact SD-SD 4.36Å; M954-Y956 HydrophobicContact CG-CD1 4.48Å; M954-Y956 HydrophobicContact CG-CD2 4.48Å; M954-Y956 HydrophobicContact CG-CE1 4.04Å; M954-Y956 HydrophobicContact CG-CE2 4.04Å
955	T	97	Very high	95.2	Very high	37 Å²	37	39 Å²	39	23%	0.227	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.8	172	54.3	0	0	0	0	109.7	M802 I807 I952	M802-T955 HydrophobicContact CB-CG2 4.5Å; M802-T955 VanDerWaalsContact O-CA 3.25Å; M802-T955 WeakPolarHBondContact O-CA 3.11Å; I807-T955 HydrophobicContact CD1-CG2 3.92Å; I952-T955 HydrophobicContact CG2-CG2 3.79Å
956	Y	97.3	Very high	94.9	Very high	32 Å²	32	44.7 Å²	44.7	13%	0.125	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.4	176.1	-72.9	-59.8	0	0	0	110.7	T792 Y794 I801 M802 N803 S804 M954 D960 M961 F1039	T792-Y956 VanDerWaalsContact CB-OH 3.31Å; T792-Y956 WeakPolarHBondContact CB-OH 3.3Å; T792-Y956 HydrophobicContact CG2-CE2 4.07Å; T792-Y956 WeakPolarHBondContact CG2-OH 3.13Å; T792-Y956 WeakPolarHBondContact OG1-CE2 3.44Å; T792-Y956 PolarHBondContact OG1-OH 3.46Å; T792-Y956 VanDerWaalsContact OG1-OH 3.06Å; Y794-Y956 VanDerWaalsContact CD2-OH 3.23Å; Y794-Y956 WeakPolarHBondContact CD2-OH 3.19Å; Y794-Y956 WeakPolarHBondContact CE2-OH 3.4Å; I801-Y956 HydrophobicContact CD1-CE2 4.28Å; I801-Y956 HydrophobicContact CG2-CD2 3.5Å; I801-Y956 HydrophobicContact CG2-CE2 3.98Å; M802-Y956 PolarHBondContact O-N 3.06Å; N803-Y956 CarbonylContact C-O 3.45Å; N803-Y956 WeakPolarHBondContact CA-O 3.26Å; S804-Y956 WeakPolarHBondContact CB-O 3.16Å; S804-Y956 PolarHBondContact N-O 2.93Å; M954-Y956 HydrophobicContact CG-CD1 4.48Å; M954-Y956 HydrophobicContact CG-CD2 4.48Å; M954-Y956 HydrophobicContact CG-CE1 4.04Å; M954-Y956 HydrophobicContact CG-CE2 4.04Å; Y956-D960 HydrophobicContact CD1-CB 4.07Å; Y956-D960 HydrophobicContact CG-CB 4.24Å; Y956-M961 HydrophobicContact CD2-SD 4.4Å; Y956-F1039 HydrophobicContact CE1-CZ 4.31Å
957	R	97.6	Very high	94.7	Very high	135 Å²	135	46.5 Å²	46.5	51%	0.509	25%	0.245	S	C	.	.			trans	-75	163.9	173.6	-62.4	-177.9	-66.6	162.2	7.6	110.3	E959 D960 M961	R957-E959 VanDerWaalsContact CB-CD 3.47Å; R957-E959 HydrophobicContact CB-CG 4.32Å; R957-E959 WeakPolarHBondContact CB-OE2 3.44Å; R957-E959 IonicContact CZ-OE1 3.96Å; R957-E959 IonicContact NE-OE1 3.86Å; R957-E959 PolarHBondContact NE-OE1 3.19Å; R957-E959 VanDerWaalsContact NE-OE1 3.07Å; R957-E959 IonicContact NH1-OE1 3.79Å; R957-E959 PolarHBondContact NH1-OE1 2.93Å; R957-E959 VanDerWaalsContact NH1-OE1 3.12Å; R957-E959 IonicContact NH2-OE1 3.07Å; R957-E959 PolarHBondContact NH2-OE1 3.37Å; R957-E959 PolarHBondContact O-N 3.45Å; R957-E959 VanDerWaalsContact O-N 3.14Å; R957-D960 PolarHBondContact O-N 2.97Å; R957-M961 WeakPolarHBondContact O-CG 3.42Å; R957-M961 PolarHBondContact O-N 3.31Å
958	Q	96.5	Very high	94.8	Very high	68 Å²	68	49.2 Å²	49.2	32%	0.318	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-54.1	-35.5	-175	-172.4	173.4	-7.4	0	0	113.2	S805 D960 M961 T969	S805-Q958 WeakPolarHBondContact OG-CB 3.26Å; S805-Q958 PolarHBondContact OG-N 3.45Å; Q958-D960 VanDerWaalsContact C-N 3.32Å; Q958-D960 PolarHBondContact O-N 3.44Å; Q958-M961 PolarHBondContact O-N 2.92Å; Q958-T969 HydrophobicContact CG-CG2 3.86Å
959	E	95.2	Very high	95.1	Very high	96 Å²	96	49.6 Å²	49.6	45%	0.449	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-65.9	-29.3	177.5	58.2	-93.3	-140.9	0	0	114.2	R957 G1038	R957-E959 VanDerWaalsContact CB-CD 3.47Å; R957-E959 HydrophobicContact CB-CG 4.32Å; R957-E959 WeakPolarHBondContact CB-OE2 3.44Å; R957-E959 IonicContact CZ-OE1 3.96Å; R957-E959 IonicContact NE-OE1 3.86Å; R957-E959 PolarHBondContact NE-OE1 3.19Å; R957-E959 VanDerWaalsContact NE-OE1 3.07Å; R957-E959 IonicContact NH1-OE1 3.79Å; R957-E959 PolarHBondContact NH1-OE1 2.93Å; R957-E959 VanDerWaalsContact NH1-OE1 3.12Å; R957-E959 IonicContact NH2-OE1 3.07Å; R957-E959 PolarHBondContact NH2-OE1 3.37Å; R957-E959 PolarHBondContact O-N 3.45Å; R957-E959 VanDerWaalsContact O-N 3.14Å; E959-G1038 CarbonylContact O-C 3.59Å
960	D	95.8	Very high	95.2	Very high	43 Å²	43	44.6 Å²	44.6	23%	0.23	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-91.5	-11.4	-179.7	-63.3	-44	0	0	0	111.6	Y791 Y956 R957 Q958 F1039	Y791-D960 PolarHBondContact OH-O 3.03Å; Y956-D960 HydrophobicContact CD1-CB 4.07Å; Y956-D960 HydrophobicContact CG-CB 4.24Å; R957-D960 PolarHBondContact O-N 2.97Å; Q958-D960 VanDerWaalsContact C-N 3.32Å; Q958-D960 PolarHBondContact O-N 3.44Å; D960-F1039 HydrophobicContact CB-CE1 3.76Å; D960-F1039 HydrophobicContact CB-CZ 4.22Å
961	M	96	Very high	95.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-79.3	144.8	179.6	-70.5	-66.1	-80.4	0	0	111	I801 N803 Y956 R957 Q958 T969 P970 I973 G1038	I801-M961 HydrophobicContact CG2-SD 4.26Å; N803-M961 HydrophobicContact CB-CE 4.1Å; N803-M961 HydrophobicContact CB-CG 4.48Å; Y956-M961 HydrophobicContact CD2-SD 4.4Å; R957-M961 WeakPolarHBondContact O-CG 3.42Å; R957-M961 PolarHBondContact O-N 3.31Å; Q958-M961 PolarHBondContact O-N 2.92Å; M961-T969 HydrophobicContact CB-CG2 4.11Å; M961-P970 HydrophobicContact CE-CG 3.89Å; M961-P970 WeakPolarHBondContact CE-O 3.25Å; M961-I973 HydrophobicContact CE-CD1 3.77Å; M961-I973 HydrophobicContact CE-CG1 3.92Å; M961-I973 HydrophobicContact SD-CD1 4.19Å; M961-G1038 WeakPolarHBondContact O-CA 3.05Å
962	P	95.1	Very high	95.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.			trans	-65.2	145.5	170.9	29.9	-34.5	0	0	0	109.9	L789 P970 I973 M1035 Y1036 L1044	L789-P962 HydrophobicContact CD2-CG 4.16Å; P962-P970 HydrophobicContact CG-CG 4.22Å; P962-P970 WeakPolarHBondContact O-CD 3.01Å; P962-I973 HydrophobicContact CG-CD1 3.78Å; P962-M1035 HydrophobicContact CB-CE 3.75Å; P962-M1035 HydrophobicContact CG-CE 3.94Å; P962-M1035 WeakPolarHBondContact O-CE 3.48Å; P962-Y1036 WeakPolarHBondContact CA-O 3.47Å; P962-Y1036 WeakPolarHBondContact CB-O 3.31Å; P962-L1044 HydrophobicContact CB-CD1 4.22Å
963	F	95	Very high	95.5	Very high	69 Å²	69	43.1 Å²	43.1	30%	0.303	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153.5	-177	61.6	-85.2	0	0	0	111.6	I968 T969 M1035 Y1036	F963-I968 WeakPolarHBondContact CA-O 3.48Å; F963-T969 HydrophobicContact CB-CG2 3.93Å; F963-M1035 CarbonylContact O-C 3.59Å; F963-M1035 VanDerWaalsContact O-CA 3.32Å; F963-M1035 WeakPolarHBondContact O-CA 3.41Å; F963-Y1036 HydrophobicContact CD2-CD2 4.06Å; F963-Y1036 HydrophobicContact CD2-CG 4.45Å; F963-Y1036 AromaticContact CE2-CD2 3.8Å; F963-Y1036 HydrophobicContact CE2-CD2 3.8Å; F963-Y1036 AromaticContact CE2-CG 3.88Å; F963-Y1036 HydrophobicContact CE2-CG 3.88Å; F963-Y1036 VanDerWaalsContact CZ-CB 3.47Å; F963-Y1036 HydrophobicContact CZ-CD2 4.4Å; F963-Y1036 HydrophobicContact CZ-CG 4.01Å; F963-Y1036 PolarHBondContact N-O 3.28Å; F963-Y1036 VanDerWaalsContact N-O 3.14Å; F963-Y1036 WeakPolarHBondContact O-CD2 3.22Å; F963-Y1036 PolarHBondContact O-N 3.08Å
964	T	93.2	Very high	95.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	177.6	176	67.1	0	0	0	0	111.6	E966 G967 I968 E1033 M1035 I1055	T964-E966 PolarHBondContact O-N 3.15Å; T964-E966 PolarHBondContact OG1-N 3.48Å; T964-G967 PolarHBondContact O-N 2.97Å; T964-I968 HydrophobicContact CG2-CB 4.24Å; T964-I968 PolarHBondContact N-O 3.23Å; T964-I968 WeakPolarHBondContact OG1-CB 3.04Å; T964-I968 PolarHBondContact OG1-N 3.45Å; T964-E1033 VanDerWaalsContact CG2-OE2 3.24Å; T964-E1033 WeakPolarHBondContact CG2-OE2 3.45Å; T964-M1035 HydrophobicContact CG2-CE 4.36Å; T964-M1035 HydrophobicContact CG2-CG 4.19Å; T964-I1055 HydrophobicContact CG2-CD1 4.03Å
965	C	90.2	Very high	95.4	Very high	94 Å²	94	40.8 Å²	40.8	64%	0.635	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.8	173	50.4	0	0	0	0	113.7	G967 Y1036	C965-G967 VanDerWaalsContact C-N 3.33Å; C965-Y1036 HydrophobicContact CB-CE2 4.48Å
966	E	90.6	Very high	95.2	Very high	121 Å²	121	41.2 Å²	41.2	57%	0.565	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.6	177	-60.7	-178.4	169.7	0	0	113.1	T964 I968	T964-E966 PolarHBondContact O-N 3.15Å; T964-E966 PolarHBondContact OG1-N 3.48Å; E966-I968 HydrophobicContact CB-CD1 4.45Å; E966-I968 HydrophobicContact CB-CG1 4.27Å; E966-I968 WeakPolarHBondContact OE2-CD1 3.27Å
967	G	92.6	Very high	95	Very high	38 Å²	38	46.7 Å²	46.7	39%	0.392	24%	0.24	S	C	.	.			trans	83.2	14.6	-175.8	0	0	0	0	0	114.2	T964 C965 T969	T964-G967 PolarHBondContact O-N 2.97Å; C965-G967 VanDerWaalsContact C-N 3.33Å; G967-T969 PolarHBondContact O-N 3.4Å
968	I	95.1	Very high	94.8	Very high	58 Å²	58	41.1 Å²	41.1	30%	0.297	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-72	121	173.9	-59.4	174	0	0	0	108.6	I785 F963 T964 E966	I785-I968 HydrophobicContact CD1-CG2 3.67Å; I785-I968 HydrophobicContact CG2-CG2 4.26Å; F963-I968 WeakPolarHBondContact CA-O 3.48Å; T964-I968 HydrophobicContact CG2-CB 4.24Å; T964-I968 PolarHBondContact N-O 3.23Å; T964-I968 WeakPolarHBondContact OG1-CB 3.04Å; T964-I968 PolarHBondContact OG1-N 3.45Å; E966-I968 HydrophobicContact CB-CD1 4.45Å; E966-I968 HydrophobicContact CB-CG1 4.27Å; E966-I968 WeakPolarHBondContact OE2-CD1 3.27Å
969	T	96.6	Very high	94.6	Very high	18 Å²	18	38.8 Å²	38.8	11%	0.11	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-99.3	135.8	170.5	55.4	0	0	0	0	109.7	N803 Q958 M961 F963 G967	N803-T969 PolarHBondContact ND2-OG1 3.4Å; Q958-T969 HydrophobicContact CG-CG2 3.86Å; M961-T969 HydrophobicContact CB-CG2 4.11Å; F963-T969 HydrophobicContact CB-CG2 3.93Å; G967-T969 PolarHBondContact O-N 3.4Å
970	P	97	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-66.8	149.3	177.6	27.1	-29.3	0	0	0	110.8	I785 A787 N803 M961 P962 I973 M1035 I1055	I785-P970 HydrophobicContact CG2-CB 4.42Å; A787-P970 HydrophobicContact CB-CB 3.75Å; A787-P970 HydrophobicContact CB-CG 3.86Å; N803-P970 PolarHBondContact ND2-O 3.17Å; M961-P970 HydrophobicContact CE-CG 3.89Å; M961-P970 WeakPolarHBondContact CE-O 3.25Å; P962-P970 HydrophobicContact CG-CG 4.22Å; P962-P970 WeakPolarHBondContact O-CD 3.01Å; P970-I973 HydrophobicContact CB-CG1 4.4Å; P970-I973 HydrophobicContact CG-CD1 4.19Å; P970-I973 HydrophobicContact CG-CG1 3.85Å; P970-M1035 HydrophobicContact CG-CE 4.23Å; P970-I1055 HydrophobicContact CB-CD1 4.37Å
971	D	97.3	Very high	94.4	Very high	30 Å²	30	41.2 Å²	41.2	16%	0.16	24%	0.241	C	C	.	.	S	Bend	trans	-80	-34.9	172	-64.4	-49.5	0	0	0	111.1	A784 I785 M802 N803 A806 L811	A784-D971 HydrophobicContact CB-CB 4.17Å; I785-D971 PolarHBondContact N-OD2 3.28Å; I785-D971 PolarHBondContact O-N 2.98Å; M802-D971 CarbonylContact C-O 3.52Å; M802-D971 WeakPolarHBondContact CA-O 3.45Å; N803-D971 PolarHBondContact N-O 3.39Å; A806-D971 WeakPolarHBondContact CB-OD1 3.43Å; L811-D971 HydrophobicContact CD2-CB 3.97Å
972	I	96.8	Very high	94.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.9	-178.2	-54.3	-178.4	0	0	0	109.4	A784 I785 V786 A787 V800 I801 M802 F812 I974 Y1060	A784-I972 HydrophobicContact CB-CD1 3.93Å; A784-I972 HydrophobicContact CB-CG1 4.23Å; I785-I972 PolarHBondContact O-N 3.37Å; I785-I972 VanDerWaalsContact O-N 3.15Å; V786-I972 WeakPolarHBondContact CA-O 3.47Å; V786-I972 HydrophobicContact CG2-CB 4.38Å; A787-I972 PolarHBondContact N-O 3.3Å; V800-I972 HydrophobicContact CB-CG2 3.95Å; V800-I972 HydrophobicContact CG1-CG2 4.26Å; V800-I972 HydrophobicContact CG2-CG2 4.43Å; I801-I972 CarbonylContact O-C 3.55Å; I801-I972 WeakPolarHBondContact O-CA 3.2Å; M802-I972 HydrophobicContact CE-CD1 3.97Å; M802-I972 HydrophobicContact CE-CG1 3.88Å; M802-I972 HydrophobicContact CG-CG1 4.26Å; F812-I972 HydrophobicContact CE2-CD1 4.35Å; I972-I974 HydrophobicContact CG2-CG2 4.03Å; I972-Y1060 HydrophobicContact CD1-CD1 3.62Å; I972-Y1060 HydrophobicContact CD1-CD2 4.4Å; I972-Y1060 HydrophobicContact CD1-CE1 4.06Å; I972-Y1060 HydrophobicContact CD1-CG 3.81Å
973	I	97	Very high	94.3	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.4	169.2	-50.4	175.5	0	0	0	109.1	A787 L789 Y791 I801 M961 P962 P970	A787-I973 HydrophobicContact CB-CG1 4.48Å; A787-I973 WeakPolarHBondContact O-CA 3.35Å; L789-I973 HydrophobicContact CB-CG2 3.82Å; L789-I973 VanDerWaalsContact O-CG2 3.31Å; L789-I973 WeakPolarHBondContact O-CG2 3.13Å; Y791-I973 HydrophobicContact CD1-CD1 4.09Å; Y791-I973 HydrophobicContact CG-CD1 4.4Å; I801-I973 HydrophobicContact CB-CB 4.2Å; I801-I973 HydrophobicContact CG2-CD1 4.38Å; I801-I973 PolarHBondContact N-O 3.18Å; I801-I973 VanDerWaalsContact N-O 3.14Å; I801-I973 PolarHBondContact O-N 2.95Å; M961-I973 HydrophobicContact CE-CD1 3.77Å; M961-I973 HydrophobicContact CE-CG1 3.92Å; M961-I973 HydrophobicContact SD-CD1 4.19Å; P962-I973 HydrophobicContact CG-CD1 3.78Å; P970-I973 HydrophobicContact CB-CG1 4.4Å; P970-I973 HydrophobicContact CG-CD1 4.19Å; P970-I973 HydrophobicContact CG-CG1 3.85Å
974	I	95.8	Very high	94.2	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	152.8	174.4	72.4	173.7	0	0	0	110.7	V786 A787 I788 L789 V800 I972 Y1060	V786-I974 HydrophobicContact CG1-CD1 4.25Å; V786-I974 HydrophobicContact CG1-CG1 4.16Å; V786-I974 HydrophobicContact CG1-CG2 4.03Å; A787-I974 PolarHBondContact O-N 3.13Å; I788-I974 HydrophobicContact CB-CG1 4.2Å; I788-I974 HydrophobicContact CD1-CD1 4.03Å; I788-I974 HydrophobicContact CG1-CD1 3.78Å; I788-I974 HydrophobicContact CG1-CG1 3.75Å; I788-I974 HydrophobicContact CG2-CG1 4.22Å; L789-I974 PolarHBondContact N-O 2.65Å; V800-I974 HydrophobicContact CG1-CG2 4Å; I972-I974 HydrophobicContact CG2-CG2 4.03Å; I974-Y1060 WeakPolarHBondContact CG2-OH 3.5Å
975	N	94.9	Very high	94.4	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.053	27%	0.272	C	S	.	.			trans	-81.1	133.3	178.3	-171.3	-43.4	0	0	0	111.6	N795 H977 A978	N795-N975 HydrophobicContact CB-CB 4.41Å; N795-N975 WeakPolarHBondContact O-CB 3.41Å; N975-H977 PolarHBondContact O-N 3.25Å; N975-H977 VanDerWaalsContact O-N 3.15Å; N975-H977 WeakPolarHBondContact OD1-CB 3.05Å; N975-H977 PolarHBondContact OD1-N 3.23Å; N975-A978 WeakPolarHBondContact O-CB 3.36Å; N975-A978 PolarHBondContact O-N 3.22Å; N975-A978 VanDerWaalsContact O-N 3.15Å
976	P	93	Very high	94.6	Very high	46 Å²	46	42.9 Å²	42.9	30%	0.299	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-53.2	-32.3	175.7	-24	29.4	0	0	0	114.5	I788 A978 I979 P980	I788-P976 HydrophobicContact CG2-CB 4.07Å; I788-P976 HydrophobicContact CG2-CG 4Å; P976-A978 PolarHBondContact O-N 3.12Å; P976-A978 VanDerWaalsContact O-N 3.1Å; P976-I979 PolarHBondContact O-N 3.06Å; P976-I979 VanDerWaalsContact O-N 3.07Å; P976-P980 WeakPolarHBondContact O-CD 3.41Å
977	H	93.6	Very high	94.9	Very high	147 Å²	147	37.3 Å²	37.3	68%	0.681	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-65	-15.3	-177.7	-64	178.1	0	0	0	113.7	N975 I979	N975-H977 PolarHBondContact O-N 3.25Å; N975-H977 VanDerWaalsContact O-N 3.15Å; N975-H977 WeakPolarHBondContact OD1-CB 3.05Å; N975-H977 PolarHBondContact OD1-N 3.23Å; H977-I979 PolarHBondContact O-N 3.47Å
978	A	92.7	Very high	95	Very high	19 Å²	19	37.6 Å²	37.6	16%	0.157	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-70.9	-16.6	174.3	0	0	0	0	0	113.2	N975 P976 R982	N975-A978 WeakPolarHBondContact O-CB 3.36Å; N975-A978 PolarHBondContact O-N 3.22Å; N975-A978 VanDerWaalsContact O-N 3.15Å; P976-A978 PolarHBondContact O-N 3.12Å; P976-A978 VanDerWaalsContact O-N 3.1Å; A978-R982 VanDerWaalsContact O-CB 3.27Å; A978-R982 WeakPolarHBondContact O-CB 3.3Å; A978-R982 WeakPolarHBondContact O-CD 3.2Å; A978-R982 WeakPolarHBondContact O-CG 3.36Å
979	I	93.1	Very high	95.1	Very high	18 Å²	18	35.3 Å²	35.3	9%	0.092	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-53.7	-176.1	-53.4	-66	0	0	0	112.9	P976 H977 S981 R982 M983 L988	P976-I979 PolarHBondContact O-N 3.06Å; P976-I979 VanDerWaalsContact O-N 3.07Å; H977-I979 PolarHBondContact O-N 3.47Å; I979-S981 PolarHBondContact O-N 3.04Å; I979-R982 PolarHBondContact O-N 2.81Å; I979-R982 VanDerWaalsContact O-N 3.14Å; I979-M983 PolarHBondContact O-N 3.48Å; I979-L988 HydrophobicContact CD1-CD2 4.28Å; I979-L988 HydrophobicContact CG1-CD2 4.5Å; I979-L988 HydrophobicContact CG2-CD1 4.17Å
980	P	93.6	Very high	95.1	Very high	99 Å²	99	34.5 Å²	34.5	64%	0.643	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-42.1	-168.8	-25.4	35.1	0	0	0	114.1	P976 R982 M983	P976-P980 WeakPolarHBondContact O-CD 3.41Å; P980-R982 VanDerWaalsContact C-N 3.32Å; P980-R982 PolarHBondContact O-N 2.95Å; P980-M983 WeakPolarHBondContact O-CG 3.49Å
981	S	92.3	Very high	95	Very high	91 Å²	91	34.7 Å²	34.7	64%	0.636	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-22.6	-179.3	61.2	0	0	0	0	113.3	I979	I979-S981 PolarHBondContact O-N 3.04Å
982	R	93.2	Very high	95	Very high	28 Å²	28	34 Å²	34	11%	0.106	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-21.3	-174.7	-57.1	-163.6	162.2	168.5	-5	113.2	R727 D798 A978 I979 P980 T984	R727-R982 VanDerWaalsContact CZ-CD 3.5Å; R727-R982 VanDerWaalsContact NH2-CG 3.32Å; D798-R982 IonicContact OD1-CZ 3.95Å; D798-R982 IonicContact OD1-NH1 2.93Å; D798-R982 PolarHBondContact OD1-NH1 2.8Å; D798-R982 IonicContact OD1-NH2 2.76Å; D798-R982 PolarHBondContact OD1-NH2 2.71Å; D798-R982 IonicContact OD2-CZ 3.29Å; D798-R982 IonicContact OD2-NH1 3.57Å; D798-R982 IonicContact OD2-NH2 3.83Å; D798-R982 PolarHBondContact OD2-NH2 3.38Å; A978-R982 VanDerWaalsContact O-CB 3.27Å; A978-R982 WeakPolarHBondContact O-CB 3.3Å; A978-R982 WeakPolarHBondContact O-CD 3.2Å; A978-R982 WeakPolarHBondContact O-CG 3.36Å; I979-R982 PolarHBondContact O-N 2.81Å; I979-R982 VanDerWaalsContact O-N 3.14Å; P980-R982 VanDerWaalsContact C-N 3.32Å; P980-R982 PolarHBondContact O-N 2.95Å; R982-T984 HydrophobicContact CB-CG2 4.03Å; R982-T984 PolarHBondContact O-N 2.75Å
983	M	95.7	Very high	94.9	Very high	94 Å²	94	34.8 Å²	34.8	46%	0.463	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	43	-179	-57.5	-178.5	-65.7	0	0	112.3	Q724 I979 P980 I985	Q724-M983 HydrophobicContact CB-CB 4.49Å; Q724-M983 HydrophobicContact CB-CE 4.43Å; Q724-M983 HydrophobicContact CG-CE 3.96Å; I979-M983 PolarHBondContact O-N 3.48Å; P980-M983 WeakPolarHBondContact O-CG 3.49Å; M983-I985 VanDerWaalsContact C-N 3.29Å; M983-I985 PolarHBondContact O-N 3.05Å; M983-I985 VanDerWaalsContact O-N 3.16Å
984	T	94.7	Very high	94.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-87.5	69.5	176.2	52.3	0	0	0	0	109.4	R727 H946 Q948 R982 G986 H987	R727-T984 HydrophobicContact CB-CG2 4.12Å; R727-T984 HydrophobicContact CG-CG2 3.68Å; H946-T984 HydrophobicContact CB-CG2 4.3Å; H946-T984 WeakPolarHBondContact O-CG2 3.38Å; Q948-T984 HydrophobicContact CG-CG2 4.34Å; Q948-T984 PolarHBondContact NE2-OG1 3.44Å; R982-T984 HydrophobicContact CB-CG2 4.03Å; R982-T984 PolarHBondContact O-N 2.75Å; T984-G986 VanDerWaalsContact C-N 3.3Å; T984-H987 WeakPolarHBondContact O-CB 3.23Å; T984-H987 PolarHBondContact O-N 3.41Å
985	I	96	Very high	94.9	Very high	78 Å²	78	35.1 Å²	35.1	40%	0.4	19%	0.194	S	C	.	.	H	α-helix	trans	-69.9	-32.3	-177.6	-56.2	-56	0	0	0	110.8	M983 H987 L988 I989	M983-I985 VanDerWaalsContact C-N 3.29Å; M983-I985 PolarHBondContact O-N 3.05Å; M983-I985 VanDerWaalsContact O-N 3.16Å; I985-H987 PolarHBondContact O-N 2.76Å; I985-H987 VanDerWaalsContact O-N 3.1Å; I985-L988 HydrophobicContact CD1-CD1 4.46Å; I985-L988 WeakPolarHBondContact O-CB 3.43Å; I985-L988 PolarHBondContact O-N 3.42Å; I985-I989 HydrophobicContact CG2-CD1 4.14Å; I985-I989 HydrophobicContact CG2-CG1 4.33Å; I985-I989 PolarHBondContact O-N 3.04Å; I985-I989 VanDerWaalsContact O-N 3.1Å
986	G	95.1	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-52.7	-32.6	173	0	0	0	0	0	113.4	N723 H946 T984 L988 I989 E990	N723-G986 WeakPolarHBondContact OD1-CA 3.27Å; N723-G986 PolarHBondContact OD1-N 3.32Å; N723-G986 VanDerWaalsContact OD1-N 3.15Å; H946-G986 PolarHBondContact CE1-O 3.5Å; H946-G986 PolarHBondContact NE2-O 3.39Å; T984-G986 VanDerWaalsContact C-N 3.3Å; G986-L988 PolarHBondContact O-N 3.16Å; G986-I989 PolarHBondContact O-N 2.95Å; G986-E990 WeakPolarHBondContact O-CB 3.19Å; G986-E990 PolarHBondContact O-N 3.01Å
987	H	96.3	Very high	95	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-37.7	176.8	-174.3	-168.9	0	0	0	112.5	H946 Q948 T984 I985 C991	H946-H987 HydrophobicContact CB-CB 4.03Å; H946-H987 WeakPolarHBondContact CD2-CA 3.39Å; H946-H987 PolarHBondContact CE1-N 3.23Å; H946-H987 VanDerWaalsContact CE1-N 3.33Å; H946-H987 PolarHBondContact ND1-N 3.33Å; H946-H987 WeakPolarHBondContact NE2-CA 3.46Å; H946-H987 PolarHBondContact NE2-N 2.79Å; Q948-H987 PolarHBondContact NE2-ND1 3Å; Q948-H987 VanDerWaalsContact NE2-ND1 3.12Å; Q948-H987 PolarHBondContact OE1-CE1 3.46Å; Q948-H987 PolarHBondContact OE1-ND1 2.78Å; T984-H987 WeakPolarHBondContact O-CB 3.23Å; T984-H987 PolarHBondContact O-N 3.41Å; I985-H987 PolarHBondContact O-N 2.76Å; I985-H987 VanDerWaalsContact O-N 3.1Å; H987-C991 PolarHBondContact O-N 3.15Å
988	L	95.9	Very high	95.1	Very high	45 Å²	45	28.2 Å²	28.2	24%	0.236	17%	0.168	C	C	.	.	H	α-helix	trans	-70.4	-40.5	175.8	-58.2	-179.4	0	0	0	110.6	I788 I979 I985 G986 C991 L992 F1054	I788-L988 HydrophobicContact CD1-CD2 3.34Å; I979-L988 HydrophobicContact CD1-CD2 4.28Å; I979-L988 HydrophobicContact CG1-CD2 4.5Å; I979-L988 HydrophobicContact CG2-CD1 4.17Å; I985-L988 HydrophobicContact CD1-CD1 4.46Å; I985-L988 WeakPolarHBondContact O-CB 3.43Å; I985-L988 PolarHBondContact O-N 3.42Å; G986-L988 PolarHBondContact O-N 3.16Å; L988-C991 WeakPolarHBondContact O-CB 3.36Å; L988-C991 PolarHBondContact O-N 2.92Å; L988-L992 PolarHBondContact O-N 2.8Å; L988-F1054 HydrophobicContact CB-CZ 4.35Å; L988-F1054 HydrophobicContact CD2-CD1 4.35Å; L988-F1054 HydrophobicContact CD2-CE1 3.95Å; L988-F1054 HydrophobicContact CD2-CZ 4.39Å
989	I	95.9	Very high	95.2	Very high	9 Å²	9	30.1 Å²	30.1	5%	0.046	18%	0.175	C	C	.	.	H	α-helix	trans	-65.2	-42.6	177.1	-57	173.7	0	0	0	110.3	F719 H722 I985 G986 C991 L992 Q993 V1015 I1018	F719-I989 HydrophobicContact CD1-CG2 4.48Å; F719-I989 HydrophobicContact CD2-CB 4.1Å; F719-I989 HydrophobicContact CD2-CG2 3.65Å; F719-I989 HydrophobicContact CE1-CG2 4.36Å; F719-I989 HydrophobicContact CE2-CB 4.37Å; F719-I989 HydrophobicContact CE2-CG2 3.52Å; F719-I989 HydrophobicContact CG-CG2 4.15Å; F719-I989 HydrophobicContact CZ-CG2 3.9Å; H722-I989 HydrophobicContact CB-CD1 4.06Å; I985-I989 HydrophobicContact CG2-CD1 4.14Å; I985-I989 HydrophobicContact CG2-CG1 4.33Å; I985-I989 PolarHBondContact O-N 3.04Å; I985-I989 VanDerWaalsContact O-N 3.1Å; G986-I989 PolarHBondContact O-N 2.95Å; I989-C991 VanDerWaalsContact C-N 3.28Å; I989-C991 PolarHBondContact O-N 2.79Å; I989-L992 PolarHBondContact O-N 3.18Å; I989-Q993 WeakPolarHBondContact O-CB 3.25Å; I989-Q993 PolarHBondContact O-N 3.17Å; I989-V1015 HydrophobicContact CD1-CG2 3.95Å; I989-V1015 HydrophobicContact CG1-CG2 4.03Å; I989-I1018 HydrophobicContact CG2-CD1 4.2Å
990	E	96.7	Very high	95.3	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-55.8	-44.5	174.2	-175.7	-173.4	174.3	0	0	110.9	P718 V765 R945 H946 G986 G994 T1058 Y1059	P718-E990 HydrophobicContact CG-CB 4.24Å; P718-E990 HydrophobicContact CG-CG 4.04Å; V765-E990 HydrophobicContact CB-CG 4.14Å; V765-E990 HydrophobicContact CG1-CG 4.32Å; V765-E990 HydrophobicContact CG2-CG 4.27Å; R945-E990 IonicContact CZ-OE1 2.78Å; R945-E990 IonicContact NE-OE1 3.12Å; R945-E990 PolarHBondContact NE-OE1 3.06Å; R945-E990 IonicContact NE-OE2 2.85Å; R945-E990 VanDerWaalsContact NH2-CD 3.29Å; R945-E990 IonicContact NH2-OE1 2.66Å; R945-E990 PolarHBondContact NH2-OE1 3.47Å; H946-E990 IonicContact CD2-OE2 3.12Å; H946-E990 PolarHBondContact CD2-OE2 3.19Å; H946-E990 VanDerWaalsContact CD2-OE2 3.28Å; H946-E990 IonicContact NE2-OE2 3.99Å; H946-E990 PolarHBondContact NE2-OE2 3.21Å; G986-E990 WeakPolarHBondContact O-CB 3.19Å; G986-E990 PolarHBondContact O-N 3.01Å; E990-G994 WeakPolarHBondContact O-CA 3.48Å; E990-G994 PolarHBondContact O-N 2.81Å; E990-T1058 HydrophobicContact CG-CG2 4.4Å; E990-Y1059 WeakPolarHBondContact OE1-CB 3.02Å; E990-Y1059 PolarHBondContact OE1-N 2.97Å
991	C	96.2	Very high	95.3	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-38.1	179.6	-170.7	0	0	0	0	112.8	H987 L988 I989 K995 F1054 G1056	H987-C991 PolarHBondContact O-N 3.15Å; L988-C991 WeakPolarHBondContact O-CB 3.36Å; L988-C991 PolarHBondContact O-N 2.92Å; I989-C991 VanDerWaalsContact C-N 3.28Å; I989-C991 PolarHBondContact O-N 2.79Å; C991-K995 PolarHBondContact O-N 3.1Å; C991-F1054 HydrophobicContact CB-CE1 3.56Å; C991-F1054 HydrophobicContact CB-CZ 3.87Å; C991-F1054 WeakPolarHBondContact SG-CE1 3.45Å; C991-G1056 VanDerWaalsContact SG-C 3.55Å; C991-G1056 WeakPolarHBondContact SG-CA 3.46Å; C991-G1056 PolarHBondContact SG-N 3.07Å; C991-G1056 VanDerWaalsContact SG-N 3.37Å
992	L	95.8	Very high	95.4	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-68.8	-52.1	174.7	-74.2	173.9	0	0	0	111.9	L988 I989 G994 K995 V996 V1015 I1018 L1022 F1054	L988-L992 PolarHBondContact O-N 2.8Å; I989-L992 PolarHBondContact O-N 3.18Å; L992-G994 VanDerWaalsContact C-N 3.26Å; L992-G994 PolarHBondContact O-N 2.85Å; L992-K995 WeakPolarHBondContact O-CB 3.39Å; L992-K995 PolarHBondContact O-N 3.36Å; L992-K995 VanDerWaalsContact O-N 3.13Å; L992-V996 PolarHBondContact O-N 3.29Å; L992-V996 VanDerWaalsContact O-N 3.07Å; L992-V1015 HydrophobicContact CD1-CG1 4.48Å; L992-I1018 HydrophobicContact CB-CG2 3.98Å; L992-L1022 HydrophobicContact CD2-CD2 4.12Å; L992-F1054 HydrophobicContact CD1-CE2 4.48Å; L992-F1054 HydrophobicContact CD2-CE2 3.8Å; L992-F1054 HydrophobicContact CD2-CZ 4.19Å; L992-F1054 HydrophobicContact CG-CE2 3.93Å; L992-F1054 HydrophobicContact CG-CZ 3.92Å
993	Q	95.5	Very high	95.4	Very high	18 Å²	18	34.3 Å²	34.3	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-41.4	178.4	-178.2	57.7	43.6	0	0	110.4	F719 V765 I989 K995 V996 S997 I1018	F719-Q993 HydrophobicContact CE2-CB 4.43Å; V765-Q993 HydrophobicContact CG1-CB 4.34Å; V765-Q993 HydrophobicContact CG1-CG 4Å; V765-Q993 HydrophobicContact CG2-CB 4.02Å; V765-Q993 HydrophobicContact CG2-CG 3.89Å; I989-Q993 WeakPolarHBondContact O-CB 3.25Å; I989-Q993 PolarHBondContact O-N 3.17Å; Q993-K995 VanDerWaalsContact C-N 3.3Å; Q993-K995 PolarHBondContact O-N 3.48Å; Q993-V996 PolarHBondContact O-N 3.16Å; Q993-S997 PolarHBondContact NE2-OG 3.06Å; Q993-S997 VanDerWaalsContact NE2-OG 3.13Å; Q993-S997 VanDerWaalsContact O-CB 3.24Å; Q993-S997 WeakPolarHBondContact O-CB 2.98Å; Q993-S997 PolarHBondContact O-N 3.33Å; Q993-S997 PolarHBondContact O-OG 3.1Å; Q993-I1018 HydrophobicContact CB-CD1 4.24Å; Q993-I1018 VanDerWaalsContact OE1-CG1 3.24Å
994	G	96	Very high	95.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-39.5	177.1	0	0	0	0	0	112.2	V765 E990 L992 S997 A998 P1057	V765-G994 VanDerWaalsContact CG2-CA 3.44Å; V765-G994 VanDerWaalsContact CG2-N 3.33Å; E990-G994 WeakPolarHBondContact O-CA 3.48Å; E990-G994 PolarHBondContact O-N 2.81Å; L992-G994 VanDerWaalsContact C-N 3.26Å; L992-G994 PolarHBondContact O-N 2.85Å; G994-S997 PolarHBondContact O-N 2.87Å; G994-A998 WeakPolarHBondContact O-CB 3.3Å; G994-A998 PolarHBondContact O-N 3.23Å; G994-P1057 VanDerWaalsContact O-CG 3.32Å; G994-P1057 WeakPolarHBondContact O-CG 3.49Å
995	K	95.8	Very high	95.2	Very high	11 Å²	11	31.1 Å²	31.1	5%	0.048	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-46.6	176	-173.3	175.8	-68.5	-173.8	0	111.5	C991 L992 Q993 S997 A998 N999 L1022 Y1027 G1031 E1033 I1055	C991-K995 PolarHBondContact O-N 3.1Å; L992-K995 WeakPolarHBondContact O-CB 3.39Å; L992-K995 PolarHBondContact O-N 3.36Å; L992-K995 VanDerWaalsContact O-N 3.13Å; Q993-K995 VanDerWaalsContact C-N 3.3Å; Q993-K995 PolarHBondContact O-N 3.48Å; K995-S997 VanDerWaalsContact C-N 3.32Å; K995-S997 PolarHBondContact O-N 3.02Å; K995-A998 PolarHBondContact O-N 3.12Å; K995-N999 PolarHBondContact O-N 3.29Å; K995-N999 VanDerWaalsContact O-N 3.09Å; K995-N999 PolarHBondContact O-ND2 3.11Å; K995-L1022 HydrophobicContact CB-CD1 4.47Å; K995-L1022 HydrophobicContact CD-CD1 3.72Å; K995-L1022 HydrophobicContact CD-CD2 4.32Å; K995-L1022 HydrophobicContact CG-CD1 3.84Å; K995-Y1027 HydrophobicContact CD-CD1 4.28Å; K995-G1031 PolarHBondContact NZ-O 2.88Å; K995-E1033 WeakPolarHBondContact CE-OE1 3.31Å; K995-E1033 IonicContact NZ-OE1 2.64Å; K995-E1033 PolarHBondContact NZ-OE1 3.13Å; K995-I1055 WeakPolarHBondContact CE-O 3.42Å; K995-I1055 PolarHBondContact NZ-O 3.12Å
996	V	95.8	Very high	95.2	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-44.7	175.1	175	0	0	0	0	110.7	L992 Q993 N999 K1000 I1018 L1021 L1022	L992-V996 PolarHBondContact O-N 3.29Å; L992-V996 VanDerWaalsContact O-N 3.07Å; Q993-V996 PolarHBondContact O-N 3.16Å; V996-N999 PolarHBondContact O-N 3.47Å; V996-K1000 WeakPolarHBondContact O-CB 3.48Å; V996-K1000 PolarHBondContact O-N 3.41Å; V996-I1018 HydrophobicContact CG2-CG2 3.78Å; V996-L1021 HydrophobicContact CG1-CB 3.99Å; V996-L1021 HydrophobicContact CG1-CD1 4.24Å; V996-L1022 HydrophobicContact CG2-CB 3.81Å; V996-L1022 HydrophobicContact CG2-CD1 4.06Å; V996-L1022 HydrophobicContact CG2-CG 4.44Å
997	S	95.5	Very high	95.1	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-45.6	-179.6	-57.3	0	0	0	0	111.6	Q993 G994 K995 N999 G1001 E1002 G1004	Q993-S997 PolarHBondContact NE2-OG 3.06Å; Q993-S997 VanDerWaalsContact NE2-OG 3.13Å; Q993-S997 VanDerWaalsContact O-CB 3.24Å; Q993-S997 WeakPolarHBondContact O-CB 2.98Å; Q993-S997 PolarHBondContact O-N 3.33Å; Q993-S997 PolarHBondContact O-OG 3.1Å; G994-S997 PolarHBondContact O-N 2.87Å; K995-S997 VanDerWaalsContact C-N 3.32Å; K995-S997 PolarHBondContact O-N 3.02Å; S997-N999 PolarHBondContact O-N 2.94Å; S997-G1001 PolarHBondContact O-N 3.06Å; S997-E1002 CarbonylContact C-O 3.52Å; S997-E1002 WeakPolarHBondContact CA-O 3.43Å; S997-E1002 WeakPolarHBondContact CB-O 3.38Å; S997-E1002 PolarHBondContact O-N 3.35Å; S997-E1002 VanDerWaalsContact O-O 3.1Å; S997-G1004 VanDerWaalsContact OG-CA 3.28Å; S997-G1004 WeakPolarHBondContact OG-CA 3.41Å; S997-G1004 PolarHBondContact OG-N 3.39Å
998	A	95.8	Very high	95	Very high	54 Å²	54	27.7 Å²	27.7	45%	0.446	16%	0.164	S	C	.	.	H	α-helix	trans	-63.1	-40.1	177	0	0	0	0	0	112.9	L764 G994 K995 P1057	L764-A998 HydrophobicContact CD1-CB 4.21Å; G994-A998 WeakPolarHBondContact O-CB 3.3Å; G994-A998 PolarHBondContact O-N 3.23Å; K995-A998 PolarHBondContact O-N 3.12Å; A998-P1057 HydrophobicContact CB-CG 4.41Å
999	N	95	Very high	94.7	Very high	59 Å²	59	30.2 Å²	30.2	32%	0.316	17%	0.174	S	C	.	.	H	α-helix	trans	-78	-37.8	-179.8	-71.5	-28.1	0	0	0	113	K995 V996 S997 G1001 Y1025 Y1027	K995-N999 PolarHBondContact O-N 3.29Å; K995-N999 VanDerWaalsContact O-N 3.09Å; K995-N999 PolarHBondContact O-ND2 3.11Å; V996-N999 PolarHBondContact O-N 3.47Å; S997-N999 PolarHBondContact O-N 2.94Å; N999-G1001 VanDerWaalsContact C-N 3.35Å; N999-Y1025 HydrophobicContact CB-CD1 4.24Å; N999-Y1025 HydrophobicContact CB-CD2 4.37Å; N999-Y1025 HydrophobicContact CB-CG 4.13Å; N999-Y1027 WeakPolarHBondContact ND2-CE2 3.33Å
1000	K	94.8	Very high	94.2	Very high	93 Å²	93	30.9 Å²	30.9	40%	0.404	18%	0.177	S	C	.	.	H	α-helix	trans	-73.8	-26.4	177.6	-173.2	174.5	-173.4	-160.1	0	112.5	V996 E1002 Y1025	V996-K1000 WeakPolarHBondContact O-CB 3.48Å; V996-K1000 PolarHBondContact O-N 3.41Å; K1000-E1002 HydrophobicContact CD-CB 4.2Å; K1000-E1002 WeakPolarHBondContact CD-OE2 3.17Å; K1000-E1002 WeakPolarHBondContact CE-OE2 3.27Å; K1000-E1002 HydrophobicContact CG-CB 4.16Å; K1000-E1002 IonicContact NZ-OE1 3.07Å; K1000-E1002 IonicContact NZ-OE2 2.8Å; K1000-E1002 PolarHBondContact NZ-OE2 2.97Å; K1000-Y1025 WeakPolarHBondContact CA-OH 3.38Å; K1000-Y1025 HydrophobicContact CB-CE2 4.11Å; K1000-Y1025 WeakPolarHBondContact CB-OH 3.44Å; K1000-Y1025 WeakPolarHBondContact CG-OH 3.21Å
1001	G	93.9	Very high	93.2	Very high	73 Å²	73	37.9 Å²	37.9	75%	0.753	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	19.9	-174.3	0	0	0	0	0	113.6	S997 N999	S997-G1001 PolarHBondContact O-N 3.06Å; N999-G1001 VanDerWaalsContact C-N 3.35Å
1002	E	93.2	Very high	92.2	Very high	95 Å²	95	41 Å²	41	44%	0.444	23%	0.234	S	C	.	.	S	Bend	trans	-113.1	154.7	179.8	177.1	-177.5	145	0	0	109.9	S997 K1000	S997-E1002 CarbonylContact C-O 3.52Å; S997-E1002 WeakPolarHBondContact CA-O 3.43Å; S997-E1002 WeakPolarHBondContact CB-O 3.38Å; S997-E1002 PolarHBondContact O-N 3.35Å; S997-E1002 VanDerWaalsContact O-O 3.1Å; K1000-E1002 HydrophobicContact CD-CB 4.2Å; K1000-E1002 WeakPolarHBondContact CD-OE2 3.17Å; K1000-E1002 WeakPolarHBondContact CE-OE2 3.27Å; K1000-E1002 HydrophobicContact CG-CB 4.16Å; K1000-E1002 IonicContact NZ-OE1 3.07Å; K1000-E1002 IonicContact NZ-OE2 2.8Å; K1000-E1002 PolarHBondContact NZ-OE2 2.97Å
1003	I	94.3	Very high	91.5	Very high	62 Å²	62	42.1 Å²	42.1	32%	0.318	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-84.6	122.3	169	-59.4	-60.8	0	0	0	108.8	T766	T766-I1003 HydrophobicContact CG2-CG2 3.85Å; T766-I1003 WeakPolarHBondContact OG1-CG2 3.27Å
1004	G	92.6	Very high	91.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.4	-178.2	0	0	0	0	0	112.9	L764 V765 T766 S997	L764-G1004 PolarHBondContact O-N 2.97Å; V765-G1004 CarbonylContact C-O 3.56Å; V765-G1004 WeakPolarHBondContact CA-O 3.19Å; T766-G1004 PolarHBondContact N-O 3.21Å; S997-G1004 VanDerWaalsContact OG-CA 3.28Å; S997-G1004 WeakPolarHBondContact OG-CA 3.41Å; S997-G1004 PolarHBondContact OG-N 3.39Å
1005	D	93.6	Very high	90.9	Very high	28 Å²	28	47.1 Å²	47.1	15%	0.15	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.6	172	-166.2	-6.2	0	0	0	110.8	R768 T1007	R768-D1005 IonicContact CZ-OD2 2.96Å; R768-D1005 IonicContact NE-OD2 2.69Å; R768-D1005 PolarHBondContact NE-OD2 3.5Å; R768-D1005 IonicContact NH2-OD2 2.66Å; D1005-T1007 WeakPolarHBondContact OD1-CB 3.35Å; D1005-T1007 PolarHBondContact OD1-N 3.07Å; D1005-T1007 PolarHBondContact OD1-OG1 2.77Å
1006	A	94.8	Very high	90.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.292	C	S	.	.			trans	-126.8	24.4	176.3	0	0	0	0	0	113.2	P718 F719 V765 T766	P718-A1006 HydrophobicContact CB-CB 3.52Å; F719-A1006 HydrophobicContact CD1-CB 4.32Å; F719-A1006 HydrophobicContact CD2-CB 3.74Å; F719-A1006 HydrophobicContact CE1-CB 4Å; F719-A1006 HydrophobicContact CE2-CB 3.36Å; F719-A1006 HydrophobicContact CG-CB 4.2Å; F719-A1006 HydrophobicContact CZ-CB 3.51Å; F719-A1006 PolarHBondContact N-O 2.89Å; F719-A1006 VanDerWaalsContact N-O 3.13Å; V765-A1006 HydrophobicContact CG1-CB 3.36Å; T766-A1006 PolarHBondContact O-N 2.73Å
1007	T	94.3	Very high	90.5	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.037	31%	0.31	C	S	.	.			trans	-56	131.6	173.6	-61.2	0	0	0	0	110.2	W32 R768 D1005	W32-T1007 HydrophobicContact CH2-CG2 4.04Å; W32-T1007 HydrophobicContact CZ2-CG2 3.5Å; R768-T1007 PolarHBondContact N-OG1 3.46Å; D1005-T1007 WeakPolarHBondContact OD1-CB 3.35Å; D1005-T1007 PolarHBondContact OD1-N 3.07Å; D1005-T1007 PolarHBondContact OD1-OG1 2.77Å
1008	P	93.5	Very high	90.4	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.019	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	154	179	26.4	-32.9	0	0	0	111.9	L710 P720 N1010	L710-P1008 HydrophobicContact CD1-CG 4.02Å; P720-P1008 HydrophobicContact CG-CB 3.74Å; P720-P1008 HydrophobicContact CG-CG 3.98Å; P1008-N1010 PolarHBondContact O-N 3.15Å
1009	F	90.6	Very high	90.3	Very high	98 Å²	98	53.2 Å²	53.2	43%	0.43	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	29.2	178.3	-40.5	-68.3	0	0	0	113.9	P706 I709 D721	P706-F1009 HydrophobicContact CB-CB 4.38Å; P706-F1009 HydrophobicContact CB-CD2 3.68Å; P706-F1009 HydrophobicContact CB-CE2 4.23Å; P706-F1009 HydrophobicContact CB-CG 4.18Å; I709-F1009 HydrophobicContact CD1-CE2 4.4Å; D721-F1009 HydrophobicContact CB-CD1 4.38Å; D721-F1009 HydrophobicContact CB-CE1 3.99Å; D721-F1009 PolarHBondContact OD2-N 3.16Å
1010	N	84.4	Confident	90.3	Very high	23 Å²	23	52.7 Å²	52.7	12%	0.123	29%	0.29	C	S	.	.			trans	-96.4	117.3	174	-174.8	10	0	0	0	110.8	Q28 P1008 T1012	Q28-N1010 PolarHBondContact NE2-OD1 2.84Å; Q28-N1010 PolarHBondContact OE1-OD1 3.08Å; P1008-N1010 PolarHBondContact O-N 3.15Å; N1010-T1012 VanDerWaalsContact C-N 3.35Å; N1010-T1012 VanDerWaalsContact CG-OG1 3.23Å; N1010-T1012 PolarHBondContact ND2-OG1 2.92Å; N1010-T1012 PolarHBondContact OD1-N 3.29Å; N1010-T1012 PolarHBondContact OD1-OG1 3.11Å
1011	D	76.4	Confident	90.2	Very high	148 Å²	148	50.9 Å²	50.9	79%	0.791	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.8	177.7	-68.3	-30.7	0	0	0	113.4	V1013	D1011-V1013 VanDerWaalsContact C-N 3.29Å; D1011-V1013 PolarHBondContact O-N 3.2Å
1012	T	75.2	Confident	90.2	Very high	70 Å²	70	47.4 Å²	47.4	43%	0.429	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-14	-179.2	57.1	0	0	0	0	113.9	Q28 N1010 Q1017	Q28-T1012 PolarHBondContact OE1-OG1 3.31Å; N1010-T1012 VanDerWaalsContact C-N 3.35Å; N1010-T1012 VanDerWaalsContact CG-OG1 3.23Å; N1010-T1012 PolarHBondContact ND2-OG1 2.92Å; N1010-T1012 PolarHBondContact OD1-N 3.29Å; N1010-T1012 PolarHBondContact OD1-OG1 3.11Å; T1012-Q1017 PolarHBondContact O-NE2 2.98Å; T1012-Q1017 PolarHBondContact O-OE1 3.08Å
1013	V	80.9	Confident	90.3	Very high	37 Å²	37	48.8 Å²	48.8	22%	0.224	26%	0.255	C	S	.	.			trans	-119.9	101.8	178.1	-179.7	0	0	0	0	109.2	F719 D1011 I1018	F719-V1013 HydrophobicContact CE1-CG1 4.42Å; F719-V1013 HydrophobicContact CZ-CG1 4.36Å; D1011-V1013 VanDerWaalsContact C-N 3.29Å; D1011-V1013 PolarHBondContact O-N 3.2Å; V1013-I1018 HydrophobicContact CG1-CD1 3.94Å; V1013-I1018 HydrophobicContact CG1-CG1 4.25Å
1014	N	86.9	Confident	90.3	Very high	70 Å²	70	52.7 Å²	52.7	37%	0.374	27%	0.272	S	S	.	.			trans	-115.5	159.4	172.2	67.1	45.8	0	0	0	111.8	Q1016 Q1017 I1018	N1014-Q1016 PolarHBondContact O-N 2.91Å; N1014-Q1016 VanDerWaalsContact O-N 3.09Å; N1014-Q1016 WeakPolarHBondContact OD1-CA 3.45Å; N1014-Q1016 WeakPolarHBondContact OD1-CB 3.48Å; N1014-Q1016 PolarHBondContact OD1-N 2.93Å; N1014-Q1016 VanDerWaalsContact OD1-N 3.1Å; N1014-Q1017 VanDerWaalsContact CG-OE1 3.29Å; N1014-Q1017 PolarHBondContact ND2-OE1 3.44Å; N1014-Q1017 PolarHBondContact O-N 2.94Å; N1014-Q1017 WeakPolarHBondContact OD1-CG 3.49Å; N1014-Q1017 PolarHBondContact OD1-N 2.61Å; N1014-Q1017 PolarHBondContact OD1-OE1 2.84Å; N1014-I1018 WeakPolarHBondContact O-CG1 3.48Å; N1014-I1018 PolarHBondContact O-N 3.29Å
1015	V	91.6	Very high	90.3	Very high	54 Å²	54	57.4 Å²	57.4	33%	0.327	29%	0.291	S	S	.	.	H	α-helix	trans	-57.3	-29.3	-179.9	179.5	0	0	0	0	111.9	I989 L992 S1019	I989-V1015 HydrophobicContact CD1-CG2 3.95Å; I989-V1015 HydrophobicContact CG1-CG2 4.03Å; L992-V1015 HydrophobicContact CD1-CG1 4.48Å; V1015-S1019 WeakPolarHBondContact O-CB 3.4Å; V1015-S1019 PolarHBondContact O-N 2.85Å; V1015-S1019 PolarHBondContact O-OG 3.06Å
1016	Q	92.6	Very high	90.2	Very high	108 Å²	108	59.5 Å²	59.5	51%	0.505	32%	0.319	S	S	.	.	H	α-helix	trans	-71.4	-44.1	-178.6	-172.1	61.3	22.1	0	0	112	N1014 S1019 S1020	N1014-Q1016 PolarHBondContact O-N 2.91Å; N1014-Q1016 VanDerWaalsContact O-N 3.09Å; N1014-Q1016 WeakPolarHBondContact OD1-CA 3.45Å; N1014-Q1016 WeakPolarHBondContact OD1-CB 3.48Å; N1014-Q1016 PolarHBondContact OD1-N 2.93Å; N1014-Q1016 VanDerWaalsContact OD1-N 3.1Å; Q1016-S1019 WeakPolarHBondContact O-CB 3.25Å; Q1016-S1019 PolarHBondContact O-N 3.5Å; Q1016-S1020 PolarHBondContact O-N 3.08Å; Q1016-S1020 PolarHBondContact O-OG 2.94Å
1017	Q	90.9	Very high	90.1	Very high	83 Å²	83	61.8 Å²	61.8	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-62.3	-44.5	174.1	-72.3	160.6	-33.8	0	0	111	T1012 N1014 S1019 S1020 L1021	T1012-Q1017 PolarHBondContact O-NE2 2.98Å; T1012-Q1017 PolarHBondContact O-OE1 3.08Å; N1014-Q1017 VanDerWaalsContact CG-OE1 3.29Å; N1014-Q1017 PolarHBondContact ND2-OE1 3.44Å; N1014-Q1017 PolarHBondContact O-N 2.94Å; N1014-Q1017 WeakPolarHBondContact OD1-CG 3.49Å; N1014-Q1017 PolarHBondContact OD1-N 2.61Å; N1014-Q1017 PolarHBondContact OD1-OE1 2.84Å; Q1017-S1019 PolarHBondContact O-N 3.14Å; Q1017-S1020 PolarHBondContact O-N 3.02Å; Q1017-L1021 WeakPolarHBondContact O-CG 3.46Å; Q1017-L1021 PolarHBondContact O-N 2.86Å
1018	I	93.5	Very high	89.9	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-57.8	-42.8	174.7	-59.2	173	0	0	0	110.2	I989 L992 Q993 V996 V1013 N1014 L1022	I989-I1018 HydrophobicContact CG2-CD1 4.2Å; L992-I1018 HydrophobicContact CB-CG2 3.98Å; Q993-I1018 HydrophobicContact CB-CD1 4.24Å; Q993-I1018 VanDerWaalsContact OE1-CG1 3.24Å; V996-I1018 HydrophobicContact CG2-CG2 3.78Å; V1013-I1018 HydrophobicContact CG1-CD1 3.94Å; V1013-I1018 HydrophobicContact CG1-CG1 4.25Å; N1014-I1018 WeakPolarHBondContact O-CG1 3.48Å; N1014-I1018 PolarHBondContact O-N 3.29Å; I1018-L1022 WeakPolarHBondContact O-CB 3.42Å; I1018-L1022 PolarHBondContact O-N 2.72Å
1019	S	93.6	Very high	89.8	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.014	36%	0.356	C	S	.	.	H	α-helix	trans	-65	-41.3	179	-57.4	0	0	0	0	112.2	V1015 Q1016 Q1017 L1022 Q1023 L1029 R1030	V1015-S1019 WeakPolarHBondContact O-CB 3.4Å; V1015-S1019 PolarHBondContact O-N 2.85Å; V1015-S1019 PolarHBondContact O-OG 3.06Å; Q1016-S1019 WeakPolarHBondContact O-CB 3.25Å; Q1016-S1019 PolarHBondContact O-N 3.5Å; Q1017-S1019 PolarHBondContact O-N 3.14Å; S1019-L1022 PolarHBondContact O-N 3.47Å; S1019-Q1023 PolarHBondContact O-N 3.07Å; S1019-Q1023 VanDerWaalsContact O-N 3.08Å; S1019-L1029 VanDerWaalsContact CA-O 3.31Å; S1019-L1029 WeakPolarHBondContact CA-O 3.48Å; S1019-L1029 WeakPolarHBondContact CB-O 3.42Å; S1019-L1029 PolarHBondContact OG-O 3.13Å; S1019-R1030 PolarHBondContact OG-NH1 3.24Å
1020	S	94.3	Very high	89.9	Confident	49 Å²	49	68.2 Å²	68.2	34%	0.343	36%	0.355	S	S	.	.	H	α-helix	trans	-64.6	-47.7	176.4	-70	0	0	0	0	111.8	Q1016 Q1017 L1022 Q1023 E1024	Q1016-S1020 PolarHBondContact O-N 3.08Å; Q1016-S1020 PolarHBondContact O-OG 2.94Å; Q1017-S1020 PolarHBondContact O-N 3.02Å; S1020-L1022 VanDerWaalsContact C-N 3.28Å; S1020-L1022 PolarHBondContact O-N 2.7Å; S1020-Q1023 WeakPolarHBondContact O-CB 3.43Å; S1020-Q1023 PolarHBondContact O-N 2.93Å; S1020-Q1023 VanDerWaalsContact O-N 3.14Å; S1020-E1024 PolarHBondContact O-N 3.13Å; S1020-E1024 VanDerWaalsContact O-N 3.1Å
1021	L	93.9	Very high	90.1	Very high	54 Å²	54	67.2 Å²	67.2	28%	0.283	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-40.3	175.6	-69.3	172.7	0	0	0	111.4	V996 Q1017 Q1023 E1024 Y1025	V996-L1021 HydrophobicContact CG1-CB 3.99Å; V996-L1021 HydrophobicContact CG1-CD1 4.24Å; Q1017-L1021 WeakPolarHBondContact O-CG 3.46Å; Q1017-L1021 PolarHBondContact O-N 2.86Å; L1021-Q1023 VanDerWaalsContact C-N 3.3Å; L1021-Q1023 PolarHBondContact O-N 2.88Å; L1021-E1024 WeakPolarHBondContact O-CB 3.14Å; L1021-E1024 PolarHBondContact O-N 3.13Å; L1021-Y1025 WeakPolarHBondContact O-CD2 3.41Å; L1021-Y1025 PolarHBondContact O-N 3.38Å
1022	L	93.7	Very high	90.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-35.8	178.3	-172.1	59.9	0	0	0	112.5	L992 K995 V996 I1018 S1019 S1020 E1024 Y1025 Y1027 Q1028	L992-L1022 HydrophobicContact CD2-CD2 4.12Å; K995-L1022 HydrophobicContact CB-CD1 4.47Å; K995-L1022 HydrophobicContact CD-CD1 3.72Å; K995-L1022 HydrophobicContact CD-CD2 4.32Å; K995-L1022 HydrophobicContact CG-CD1 3.84Å; V996-L1022 HydrophobicContact CG2-CB 3.81Å; V996-L1022 HydrophobicContact CG2-CD1 4.06Å; V996-L1022 HydrophobicContact CG2-CG 4.44Å; I1018-L1022 WeakPolarHBondContact O-CB 3.42Å; I1018-L1022 PolarHBondContact O-N 2.72Å; S1019-L1022 PolarHBondContact O-N 3.47Å; S1020-L1022 VanDerWaalsContact C-N 3.28Å; S1020-L1022 PolarHBondContact O-N 2.7Å; L1022-E1024 VanDerWaalsContact C-N 3.35Å; L1022-Y1025 PolarHBondContact O-N 3.46Å; L1022-Y1027 HydrophobicContact CD1-CD2 4.26Å; L1022-Y1027 HydrophobicContact CD1-CG 4.1Å; L1022-Y1027 PolarHBondContact O-N 3.19Å; L1022-Q1028 VanDerWaalsContact CD2-O 3.26Å; L1022-Q1028 WeakPolarHBondContact CD2-O 3.37Å
1023	Q	93.8	Very high	91.7	Very high	124 Å²	124	59.5 Å²	59.5	58%	0.579	31%	0.305	S	S	*	.	H	α-helix	trans	-66.2	-36.7	174.8	-175	178.6	5.2	0	0	111.9	S1019 S1020 L1021 Y1025 G1026 L1029	S1019-Q1023 PolarHBondContact O-N 3.07Å; S1019-Q1023 VanDerWaalsContact O-N 3.08Å; S1020-Q1023 WeakPolarHBondContact O-CB 3.43Å; S1020-Q1023 PolarHBondContact O-N 2.93Å; S1020-Q1023 VanDerWaalsContact O-N 3.14Å; L1021-Q1023 VanDerWaalsContact C-N 3.3Å; L1021-Q1023 PolarHBondContact O-N 2.88Å; Q1023-Y1025 PolarHBondContact O-N 2.88Å; Q1023-G1026 PolarHBondContact O-N 3.05Å; Q1023-L1029 HydrophobicContact CB-CB 4.44Å
1024	E	94.3	Very high	92.2	Very high	145 Å²	145	60 Å²	60	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-60.2	-33.2	175.6	-68.9	170.3	-167.2	0	0	112.2	S1020 L1021 L1022 G1026	S1020-E1024 PolarHBondContact O-N 3.13Å; S1020-E1024 VanDerWaalsContact O-N 3.1Å; L1021-E1024 WeakPolarHBondContact O-CB 3.14Å; L1021-E1024 PolarHBondContact O-N 3.13Å; L1022-E1024 VanDerWaalsContact C-N 3.35Å; E1024-G1026 PolarHBondContact O-N 3.35Å
1025	Y	93.6	Very high	92.4	Very high	98 Å²	98	56.6 Å²	56.6	38%	0.384	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	5.9	174.7	-70.8	-72.2	0	0	0	114.4	N999 K1000 L1021 L1022 Q1023 Y1027	N999-Y1025 HydrophobicContact CB-CD1 4.24Å; N999-Y1025 HydrophobicContact CB-CD2 4.37Å; N999-Y1025 HydrophobicContact CB-CG 4.13Å; K1000-Y1025 WeakPolarHBondContact CA-OH 3.38Å; K1000-Y1025 HydrophobicContact CB-CE2 4.11Å; K1000-Y1025 WeakPolarHBondContact CB-OH 3.44Å; K1000-Y1025 WeakPolarHBondContact CG-OH 3.21Å; L1021-Y1025 WeakPolarHBondContact O-CD2 3.41Å; L1021-Y1025 PolarHBondContact O-N 3.38Å; L1022-Y1025 PolarHBondContact O-N 3.46Å; Q1023-Y1025 PolarHBondContact O-N 2.88Å; Y1025-Y1027 VanDerWaalsContact C-N 3.33Å; Y1025-Y1027 WeakPolarHBondContact O-CD2 3.46Å; Y1025-Y1027 PolarHBondContact O-N 3.25Å
1026	G	91.5	Very high	92.5	Very high	72 Å²	72	56.6 Å²	56.6	74%	0.742	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	11.1	176.6	0	0	0	0	0	115	Q1023 E1024	Q1023-G1026 PolarHBondContact O-N 3.05Å; E1024-G1026 PolarHBondContact O-N 3.35Å
1027	Y	92	Very high	92.5	Very high	49 Å²	49	53 Å²	53	19%	0.192	27%	0.269	C	S	.	.	S	Bend	trans	-91.5	165.1	172.3	-72.4	-91.9	0	0	0	111.1	K995 N999 L1022 Y1025 L1029 E1033	K995-Y1027 HydrophobicContact CD-CD1 4.28Å; N999-Y1027 WeakPolarHBondContact ND2-CE2 3.33Å; L1022-Y1027 HydrophobicContact CD1-CD2 4.26Å; L1022-Y1027 HydrophobicContact CD1-CG 4.1Å; L1022-Y1027 PolarHBondContact O-N 3.19Å; Y1025-Y1027 VanDerWaalsContact C-N 3.33Å; Y1025-Y1027 WeakPolarHBondContact O-CD2 3.46Å; Y1025-Y1027 PolarHBondContact O-N 3.25Å; Y1027-L1029 PolarHBondContact O-N 2.92Å; Y1027-E1033 HydrophobicContact CD1-CG 4.42Å; Y1027-E1033 WeakPolarHBondContact CE1-OE1 3.34Å
1028	Q	91.3	Very high	92.6	Very high	81 Å²	81	50 Å²	50	38%	0.379	26%	0.26	S	S	.	.			trans	-66.3	133.9	172.1	177.6	59.2	-32	0	0	110.5	L1022 R1030 G1031 N1032	L1022-Q1028 VanDerWaalsContact CD2-O 3.26Å; L1022-Q1028 WeakPolarHBondContact CD2-O 3.37Å; Q1028-R1030 PolarHBondContact O-N 2.69Å; Q1028-G1031 PolarHBondContact O-N 2.96Å; Q1028-N1032 WeakPolarHBondContact CB-O 3.49Å; Q1028-N1032 HydrophobicContact CG-CB 4.5Å
1029	L	91.5	Very high	92.6	Very high	52 Å²	52	54.5 Å²	54.5	27%	0.272	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.9	-173.2	70.4	112.4	0	0	0	114.8	S1019 Q1023 Y1027	S1019-L1029 VanDerWaalsContact CA-O 3.31Å; S1019-L1029 WeakPolarHBondContact CA-O 3.48Å; S1019-L1029 WeakPolarHBondContact CB-O 3.42Å; S1019-L1029 PolarHBondContact OG-O 3.13Å; Q1023-L1029 HydrophobicContact CB-CB 4.44Å; Y1027-L1029 PolarHBondContact O-N 2.92Å
1030	R	91.3	Very high	92.6	Very high	109 Å²	109	58.5 Å²	58.5	41%	0.411	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	13.4	179	-58.9	-57.3	-173.9	-163.6	-0.3	113.8	S1019 Q1028 N1032 F1054	S1019-R1030 PolarHBondContact OG-NH1 3.24Å; Q1028-R1030 PolarHBondContact O-N 2.69Å; R1030-N1032 VanDerWaalsContact C-N 3.25Å; R1030-N1032 PolarHBondContact O-N 3.42Å; R1030-F1054 WeakPolarHBondContact O-CD2 3.32Å; R1030-F1054 WeakPolarHBondContact O-CE2 3.38Å
1031	G	90.4	Very high	92.4	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.01	31%	0.308	C	S	.	.	S	Bend	trans	76.3	1.6	175.8	0	0	0	0	0	116.1	K995 Q1028	K995-G1031 PolarHBondContact NZ-O 2.88Å; Q1028-G1031 PolarHBondContact O-N 2.96Å
1032	N	92.6	Very high	92.2	Very high	33 Å²	33	64.7 Å²	64.7	18%	0.176	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.4	177.6	-57.3	-39.8	0	0	0	111.6	Q1028 R1030 Q1052 V1053 F1054	Q1028-N1032 WeakPolarHBondContact CB-O 3.49Å; Q1028-N1032 HydrophobicContact CG-CB 4.5Å; R1030-N1032 VanDerWaalsContact C-N 3.25Å; R1030-N1032 PolarHBondContact O-N 3.42Å; N1032-Q1052 HydrophobicContact CB-CB 3.53Å; N1032-Q1052 HydrophobicContact CB-CG 4.45Å; N1032-V1053 CarbonylContact C-O 3.57Å; N1032-V1053 WeakPolarHBondContact CA-O 3.28Å; N1032-F1054 WeakPolarHBondContact OD1-CB 3.33Å
1033	E	91.7	Very high	92	Very high	23 Å²	23	69.9 Å²	69.9	11%	0.107	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.5	178.6	-70.1	177.8	-144.3	0	0	111.7	T964 K995 Y1027 M1035 Q1052 V1053 I1055	T964-E1033 VanDerWaalsContact CG2-OE2 3.24Å; T964-E1033 WeakPolarHBondContact CG2-OE2 3.45Å; K995-E1033 WeakPolarHBondContact CE-OE1 3.31Å; K995-E1033 IonicContact NZ-OE1 2.64Å; K995-E1033 PolarHBondContact NZ-OE1 3.13Å; Y1027-E1033 HydrophobicContact CD1-CG 4.42Å; Y1027-E1033 WeakPolarHBondContact CE1-OE1 3.34Å; E1033-M1035 PolarHBondContact O-N 3.07Å; E1033-Q1052 CarbonylContact O-C 3.59Å; E1033-Q1052 WeakPolarHBondContact O-CA 3.38Å; E1033-V1053 PolarHBondContact N-O 3.07Å; E1033-V1053 PolarHBondContact O-N 2.84Å; E1033-I1055 HydrophobicContact CB-CG2 3.91Å; E1033-I1055 HydrophobicContact CG-CG2 3.95Å
1034	V	91.7	Very high	91.7	Very high	47 Å²	47	65.5 Å²	65.5	29%	0.285	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.6	173.9	-178.7	0	0	0	0	108.9	K1043 N1051	V1034-K1043 HydrophobicContact CG1-CD 4.13Å; V1034-K1043 HydrophobicContact CG1-CG 4.3Å; V1034-N1051 WeakPolarHBondContact CA-O 3.23Å
1035	M	91.7	Very high	90.8	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150.5	176.9	-67.9	-167.8	84.2	0	0	112	A787 P962 F963 T964 P970 E1033 L1044 V1053 I1055	A787-M1035 HydrophobicContact CB-SD 4.49Å; P962-M1035 HydrophobicContact CB-CE 3.75Å; P962-M1035 HydrophobicContact CG-CE 3.94Å; P962-M1035 WeakPolarHBondContact O-CE 3.48Å; F963-M1035 CarbonylContact O-C 3.59Å; F963-M1035 VanDerWaalsContact O-CA 3.32Å; F963-M1035 WeakPolarHBondContact O-CA 3.41Å; T964-M1035 HydrophobicContact CG2-CE 4.36Å; T964-M1035 HydrophobicContact CG2-CG 4.19Å; P970-M1035 HydrophobicContact CG-CE 4.23Å; E1033-M1035 PolarHBondContact O-N 3.07Å; M1035-L1044 HydrophobicContact CB-CD1 4Å; M1035-L1044 PolarHBondContact O-N 3.36Å; M1035-V1053 HydrophobicContact CB-CB 4.41Å; M1035-V1053 HydrophobicContact CB-CG2 4.02Å; M1035-V1053 HydrophobicContact CG-CB 3.96Å; M1035-V1053 HydrophobicContact CG-CG2 4.13Å; M1035-V1053 HydrophobicContact SD-CB 3.66Å; M1035-V1053 HydrophobicContact SD-CG1 3.67Å; M1035-V1053 HydrophobicContact SD-CG2 4.04Å; M1035-I1055 HydrophobicContact CE-CD1 4.09Å; M1035-I1055 HydrophobicContact SD-CD1 4.24Å
1036	Y	92.8	Very high	89.5	Confident	54 Å²	54	62.4 Å²	62.4	21%	0.212	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.1	178.1	-56.6	-96.5	0	0	0	109.7	P962 F963 C965 R1042 K1043	P962-Y1036 WeakPolarHBondContact CA-O 3.47Å; P962-Y1036 WeakPolarHBondContact CB-O 3.31Å; F963-Y1036 HydrophobicContact CD2-CD2 4.06Å; F963-Y1036 HydrophobicContact CD2-CG 4.45Å; F963-Y1036 AromaticContact CE2-CD2 3.8Å; F963-Y1036 HydrophobicContact CE2-CD2 3.8Å; F963-Y1036 AromaticContact CE2-CG 3.88Å; F963-Y1036 HydrophobicContact CE2-CG 3.88Å; F963-Y1036 VanDerWaalsContact CZ-CB 3.47Å; F963-Y1036 HydrophobicContact CZ-CD2 4.4Å; F963-Y1036 HydrophobicContact CZ-CG 4.01Å; F963-Y1036 PolarHBondContact N-O 3.28Å; F963-Y1036 VanDerWaalsContact N-O 3.14Å; F963-Y1036 WeakPolarHBondContact O-CD2 3.22Å; F963-Y1036 PolarHBondContact O-N 3.08Å; C965-Y1036 HydrophobicContact CB-CE2 4.48Å; Y1036-R1042 CarbonylContact C-O 3.57Å; Y1036-R1042 WeakPolarHBondContact CA-O 3.41Å; Y1036-K1043 HydrophobicContact CD1-CB 4.46Å; Y1036-K1043 HydrophobicContact CD1-CG 3.59Å; Y1036-K1043 HydrophobicContact CE1-CD 4.09Å; Y1036-K1043 HydrophobicContact CE1-CG 3.33Å; Y1036-K1043 WeakPolarHBondContact OH-CE 3.18Å
1037	N	92.4	Very high	87.6	Confident	32 Å²	32	68.7 Å²	68.7	17%	0.171	34%	0.341	C	S	.	.			trans	-75.8	123.1	177	-174.9	-4.7	0	0	0	110.5	Y791 F1039 T1040 G1041 R1042 L1044	Y791-N1037 PolarHBondContact OH-OD1 3.15Å; N1037-F1039 PolarHBondContact O-N 3.34Å; N1037-F1039 WeakPolarHBondContact OD1-CD2 3.09Å; N1037-F1039 PolarHBondContact OD1-N 3.39Å; N1037-F1039 VanDerWaalsContact OD1-N 3.16Å; N1037-T1040 PolarHBondContact ND2-OG1 3.28Å; N1037-T1040 PolarHBondContact O-N 3.4Å; N1037-G1041 WeakPolarHBondContact O-CA 3.06Å; N1037-G1041 PolarHBondContact O-N 3.42Å; N1037-R1042 PolarHBondContact N-O 3.33Å; N1037-L1044 HydrophobicContact CB-CD2 3.77Å; N1037-L1044 HydrophobicContact CB-CG 4.41Å
1038	G	92.6	Very high	85.6	Confident	19 Å²	19	72.6 Å²	72.6	20%	0.196	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.3	177.5	0	0	0	0	0	113.9	E959 M961	E959-G1038 CarbonylContact O-C 3.59Å; M961-G1038 WeakPolarHBondContact O-CA 3.05Å
1039	F	94	Very high	83.6	Confident	100 Å²	100	73.3 Å²	73.3	44%	0.439	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-30.5	-177.9	-57.3	-60.5	0	0	0	115.1	Y791 T792 Y956 D960 N1037	Y791-F1039 AromaticContact CE1-CE2 3.84Å; Y791-F1039 HydrophobicContact CE1-CE2 3.84Å; Y791-F1039 HydrophobicContact CE1-CZ 4.35Å; Y791-F1039 HydrophobicContact CE2-CE2 4.39Å; Y791-F1039 AromaticContact CZ-CD2 3.94Å; Y791-F1039 AromaticContact CZ-CE2 3.5Å; Y791-F1039 WeakPolarHBondContact OH-CD2 3.27Å; Y791-F1039 WeakPolarHBondContact OH-CE2 3.46Å; T792-F1039 HydrophobicContact CG2-CE2 3.7Å; T792-F1039 HydrophobicContact CG2-CZ 4.14Å; Y956-F1039 HydrophobicContact CE1-CZ 4.31Å; D960-F1039 HydrophobicContact CB-CE1 3.76Å; D960-F1039 HydrophobicContact CB-CZ 4.22Å; N1037-F1039 PolarHBondContact O-N 3.34Å; N1037-F1039 WeakPolarHBondContact OD1-CD2 3.09Å; N1037-F1039 PolarHBondContact OD1-N 3.39Å; N1037-F1039 VanDerWaalsContact OD1-N 3.16Å
1040	T	93.8	Very high	81.8	Confident	86 Å²	86	77.5 Å²	77.5	53%	0.528	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-11.9	-169.1	59	0	0	0	0	113.8	N1037 R1042	N1037-T1040 PolarHBondContact ND2-OG1 3.28Å; N1037-T1040 PolarHBondContact O-N 3.4Å; T1040-R1042 PolarHBondContact O-N 2.96Å; T1040-R1042 VanDerWaalsContact O-N 3.09Å; T1040-R1042 PolarHBondContact OG1-N 3.41Å
1041	G	89.5	Confident	80.1	Confident	42 Å²	42	74.9 Å²	74.9	43%	0.433	39%	0.393	S	S	.	.			trans	67.1	-1.7	-170.7	0	0	0	0	0	114.4	N1037	N1037-G1041 WeakPolarHBondContact O-CA 3.06Å; N1037-G1041 PolarHBondContact O-N 3.42Å
1042	R	90.6	Very high	79.4	Confident	192 Å²	192	77.3 Å²	77.3	73%	0.725	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-71.4	144.3	178.2	-67.6	-174.5	176.2	-171.5	-0.4	110.3	Y1036 N1037 T1040	Y1036-R1042 CarbonylContact C-O 3.57Å; Y1036-R1042 WeakPolarHBondContact CA-O 3.41Å; N1037-R1042 PolarHBondContact N-O 3.33Å; T1040-R1042 PolarHBondContact O-N 2.96Å; T1040-R1042 VanDerWaalsContact O-N 3.09Å; T1040-R1042 PolarHBondContact OG1-N 3.41Å
1043	K	90	Very high	79.3	Confident	109 Å²	109	76.1 Å²	76.1	47%	0.474	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-57.1	139.4	167.5	-68.2	-178	178.1	-174.7	0	109.6	V1034 Y1036 N1045	V1034-K1043 HydrophobicContact CG1-CD 4.13Å; V1034-K1043 HydrophobicContact CG1-CG 4.3Å; Y1036-K1043 HydrophobicContact CD1-CB 4.46Å; Y1036-K1043 HydrophobicContact CD1-CG 3.59Å; Y1036-K1043 HydrophobicContact CE1-CD 4.09Å; Y1036-K1043 HydrophobicContact CE1-CG 3.33Å; Y1036-K1043 WeakPolarHBondContact OH-CE 3.18Å; K1043-N1045 PolarHBondContact O-N 3.24Å
1044	L	86.2	Confident	79.4	Confident	31 Å²	31	76.5 Å²	76.5	16%	0.162	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-75.9	118.9	176.4	-69.2	173.2	0	0	0	109.5	L789 P962 M1035 N1037 S1046 N1051 V1053	L789-L1044 HydrophobicContact CD1-CD1 4.45Å; L789-L1044 HydrophobicContact CD2-CD1 3.75Å; P962-L1044 HydrophobicContact CB-CD1 4.22Å; M1035-L1044 HydrophobicContact CB-CD1 4Å; M1035-L1044 PolarHBondContact O-N 3.36Å; N1037-L1044 HydrophobicContact CB-CD2 3.77Å; N1037-L1044 HydrophobicContact CB-CG 4.41Å; L1044-S1046 PolarHBondContact O-N 3.46Å; L1044-N1051 WeakPolarHBondContact O-CA 3.33Å; L1044-V1053 HydrophobicContact CD1-CG2 4.28Å
1045	N	76.6	Confident	79.6	Confident	134 Å²	134	74.5 Å²	74.5	72%	0.717	39%	0.386	S	S	*	.			trans	-85.6	100.8	175	-65.7	-2.5	0	0	0	109.3	K1043 N1051	K1043-N1045 PolarHBondContact O-N 3.24Å; N1045-N1051 PolarHBondContact OD1-OD1 3.29Å
1046	S	64.7	Low	79.8	Confident	45 Å²	45	74.6 Å²	74.6	32%	0.315	39%	0.388	S	S	.	.			trans	-84.6	117.6	165.5	44.2	0	0	0	0	109.3	L1044 V1048 N1049 Q1052	L1044-S1046 PolarHBondContact O-N 3.46Å; S1046-V1048 PolarHBondContact O-N 2.99Å; S1046-N1049 PolarHBondContact OG-O 3.15Å; S1046-Q1052 PolarHBondContact OG-N 3.47Å; S1046-Q1052 VanDerWaalsContact OG-N 3.13Å; S1046-Q1052 PolarHBondContact OG-O 3.35Å
1047	Q	51.4	Low	80	Confident	204 Å²	204	73 Å²	73	95%	0.953	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.5	-173.4	-78.1	-180	-22.3	0	0	115.7
1048	V	50.3	Low	80.2	Confident	130 Å²	130	71.6 Å²	71.6	79%	0.788	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-24.9	-169.5	-176.5	0	0	0	0	113.7	S1046	S1046-V1048 PolarHBondContact O-N 2.99Å
1049	N	49.6	Very low	80.4	Confident	96 Å²	96	70.7 Å²	70.7	51%	0.513	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.4	122.8	-179.4	-72.3	-37.1	0	0	0	108.7	S1046 N1051 Q1052	S1046-N1049 PolarHBondContact OG-O 3.15Å; N1049-N1051 PolarHBondContact O-N 3.27Å; N1049-Q1052 PolarHBondContact O-N 3.18Å
1050	D	53.3	Low	80.6	Confident	140 Å²	140	66.1 Å²	66.1	75%	0.749	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33.3	80.2	-175.5	-67.5	-45.2	0	0	0	116.5	Q1052	D1050-Q1052 WeakPolarHBondContact O-CG 3.16Å
1051	N	56.7	Low	80.8	Confident	55 Å²	55	62.1 Å²	62.1	29%	0.294	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	38.1	172.8	-49.9	-43.4	0	0	0	116.7	V1034 L1044 N1045 N1049	V1034-N1051 WeakPolarHBondContact CA-O 3.23Å; L1044-N1051 WeakPolarHBondContact O-CA 3.33Å; N1045-N1051 PolarHBondContact OD1-OD1 3.29Å; N1049-N1051 PolarHBondContact O-N 3.27Å
1052	Q	75.9	Confident	81.1	Confident	52 Å²	52	60.1 Å²	60.1	24%	0.243	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.7	-171.4	-34.6	-177.1	-20.7	0	0	114.1	N1032 E1033 S1046 N1049 D1050	N1032-Q1052 HydrophobicContact CB-CB 3.53Å; N1032-Q1052 HydrophobicContact CB-CG 4.45Å; E1033-Q1052 CarbonylContact O-C 3.59Å; E1033-Q1052 WeakPolarHBondContact O-CA 3.38Å; S1046-Q1052 PolarHBondContact OG-N 3.47Å; S1046-Q1052 VanDerWaalsContact OG-N 3.13Å; S1046-Q1052 PolarHBondContact OG-O 3.35Å; N1049-Q1052 PolarHBondContact O-N 3.18Å; D1050-Q1052 WeakPolarHBondContact O-CG 3.16Å
1053	V	90.1	Very high	81.4	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.4	176	179.8	0	0	0	0	109.2	A787 L789 N1032 E1033 M1035 L1044 I1055	A787-V1053 HydrophobicContact CB-CG1 4.27Å; L789-V1053 HydrophobicContact CB-CG1 3.96Å; L789-V1053 HydrophobicContact CD1-CG1 4.41Å; L789-V1053 HydrophobicContact CD1-CG2 3.89Å; L789-V1053 HydrophobicContact CD2-CG2 4.46Å; N1032-V1053 CarbonylContact C-O 3.57Å; N1032-V1053 WeakPolarHBondContact CA-O 3.28Å; E1033-V1053 PolarHBondContact N-O 3.07Å; E1033-V1053 PolarHBondContact O-N 2.84Å; M1035-V1053 HydrophobicContact CB-CB 4.41Å; M1035-V1053 HydrophobicContact CB-CG2 4.02Å; M1035-V1053 HydrophobicContact CG-CB 3.96Å; M1035-V1053 HydrophobicContact CG-CG2 4.13Å; M1035-V1053 HydrophobicContact SD-CB 3.66Å; M1035-V1053 HydrophobicContact SD-CG1 3.67Å; M1035-V1053 HydrophobicContact SD-CG2 4.04Å; L1044-V1053 HydrophobicContact CD1-CG2 4.28Å; V1053-I1055 PolarHBondContact O-N 3.03Å
1054	F	94.3	Very high	81.6	Confident	32 Å²	32	49.8 Å²	49.8	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	116.5	173.5	-172.7	-93.4	0	0	0	109.7	A787 I788 L988 C991 L992 R1030 N1032	A787-F1054 WeakPolarHBondContact CA-O 3.24Å; I788-F1054 HydrophobicContact CB-CB 4.42Å; I788-F1054 HydrophobicContact CB-CD1 4.49Å; I788-F1054 HydrophobicContact CD1-CD1 3.56Å; I788-F1054 HydrophobicContact CD1-CE1 4Å; I788-F1054 HydrophobicContact CG1-CD1 3.87Å; I788-F1054 PolarHBondContact N-O 3.11Å; L988-F1054 HydrophobicContact CB-CZ 4.35Å; L988-F1054 HydrophobicContact CD2-CD1 4.35Å; L988-F1054 HydrophobicContact CD2-CE1 3.95Å; L988-F1054 HydrophobicContact CD2-CZ 4.39Å; C991-F1054 HydrophobicContact CB-CE1 3.56Å; C991-F1054 HydrophobicContact CB-CZ 3.87Å; C991-F1054 WeakPolarHBondContact SG-CE1 3.45Å; L992-F1054 HydrophobicContact CD1-CE2 4.48Å; L992-F1054 HydrophobicContact CD2-CE2 3.8Å; L992-F1054 HydrophobicContact CD2-CZ 4.19Å; L992-F1054 HydrophobicContact CG-CE2 3.93Å; L992-F1054 HydrophobicContact CG-CZ 3.92Å; R1030-F1054 WeakPolarHBondContact O-CD2 3.32Å; R1030-F1054 WeakPolarHBondContact O-CE2 3.38Å; N1032-F1054 WeakPolarHBondContact OD1-CB 3.33Å
1055	I	94.9	Very high	81.9	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.4	-176.8	-172.7	170.2	0	0	0	109.9	I785 V786 A787 T964 P970 K995 E1033 M1035 V1053	I785-I1055 HydrophobicContact CG2-CD1 3.9Å; I785-I1055 HydrophobicContact CG2-CG1 3.84Å; V786-I1055 CarbonylContact O-C 3.58Å; V786-I1055 VanDerWaalsContact O-CA 3.29Å; V786-I1055 WeakPolarHBondContact O-CA 3.37Å; A787-I1055 HydrophobicContact CB-CB 4.45Å; A787-I1055 HydrophobicContact CB-CD1 4.4Å; A787-I1055 HydrophobicContact CB-CG1 4.25Å; T964-I1055 HydrophobicContact CG2-CD1 4.03Å; P970-I1055 HydrophobicContact CB-CD1 4.37Å; K995-I1055 WeakPolarHBondContact CE-O 3.42Å; K995-I1055 PolarHBondContact NZ-O 3.12Å; E1033-I1055 HydrophobicContact CB-CG2 3.91Å; E1033-I1055 HydrophobicContact CG-CG2 3.95Å; M1035-I1055 HydrophobicContact CE-CD1 4.09Å; M1035-I1055 HydrophobicContact SD-CD1 4.24Å; V1053-I1055 PolarHBondContact O-N 3.03Å
1056	G	95.4	Very high	82.6	Confident	3 Å²	3	44.6 Å²	44.6	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	171.5	171.2	0	0	0	0	0	112.6	V786 C991	V786-G1056 PolarHBondContact N-O 2.86Å; V786-G1056 PolarHBondContact O-N 2.74Å; C991-G1056 VanDerWaalsContact SG-C 3.55Å; C991-G1056 WeakPolarHBondContact SG-CA 3.46Å; C991-G1056 PolarHBondContact SG-N 3.07Å; C991-G1056 VanDerWaalsContact SG-N 3.37Å
1057	P	97.2	Very high	84	Confident	20 Å²	20	44.6 Å²	44.6	13%	0.13	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	137.3	-179.6	31.9	-34.3	0	0	0	110.9	L764 A784 G994 A998	L764-P1057 HydrophobicContact CD1-CB 3.89Å; L764-P1057 HydrophobicContact CD1-CG 4.04Å; A784-P1057 CarbonylContact O-C 3.56Å; A784-P1057 WeakPolarHBondContact O-CA 3.38Å; G994-P1057 VanDerWaalsContact O-CG 3.32Å; G994-P1057 WeakPolarHBondContact O-CG 3.49Å; A998-P1057 HydrophobicContact CB-CG 4.41Å
1058	T	97.4	Very high	85.9	Confident	2 Å²	2	38 Å²	38	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.5	177.2	-60.6	0	0	0	0	109.7	A784 E990 Y1060	A784-T1058 PolarHBondContact N-O 3.14Å; A784-T1058 PolarHBondContact O-N 2.88Å; E990-T1058 HydrophobicContact CG-CG2 4.4Å; T1058-Y1060 HydrophobicContact CG2-CD2 3.99Å; T1058-Y1060 HydrophobicContact CG2-CE2 3.74Å; T1058-Y1060 PolarHBondContact O-N 2.77Å
1059	Y	97.7	Very high	87.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	112.1	-178.1	-173.3	-100	0	0	0	112	Q761 P763 F775 P779 A780 G781 R945 E990 Q1061	Q761-Y1059 VanDerWaalsContact O-CE2 3.22Å; Q761-Y1059 WeakPolarHBondContact O-CE2 3.42Å; P763-Y1059 HydrophobicContact CB-CD2 4.02Å; P763-Y1059 HydrophobicContact CB-CE2 4.45Å; P763-Y1059 HydrophobicContact CB-CG 4.07Å; P763-Y1059 HydrophobicContact CG-CD2 4.39Å; P763-Y1059 HydrophobicContact CG-CE2 4.37Å; F775-Y1059 HydrophobicContact CE1-CE1 4.09Å; F775-Y1059 HydrophobicContact CZ-CE1 4.13Å; P779-Y1059 WeakPolarHBondContact CB-OH 3.36Å; A780-Y1059 PolarHBondContact N-OH 2.99Å; G781-Y1059 WeakPolarHBondContact CA-OH 3.33Å; G781-Y1059 PolarHBondContact N-OH 3.05Å; R945-Y1059 HydrophobicContact CG-CD1 3.87Å; E990-Y1059 WeakPolarHBondContact OE1-CB 3.02Å; E990-Y1059 PolarHBondContact OE1-N 2.97Å; Y1059-Q1061 HydrophobicContact CE1-CG 4.24Å
1060	Y	97.7	Very high	89.5	Confident	5 Å²	5	34.5 Å²	34.5	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.8	179.5	-93	-113.7	0	0	0	112.1	G781 I782 V786 F812 F942 I972 I974 T1058	G781-Y1060 CarbonylContact C-O 3.56Å; G781-Y1060 WeakPolarHBondContact CA-O 3.25Å; I782-Y1060 PolarHBondContact N-O 2.95Å; I782-Y1060 PolarHBondContact O-N 3.13Å; V786-Y1060 HydrophobicContact CG2-CD2 3.95Å; V786-Y1060 HydrophobicContact CG2-CE2 3.52Å; F812-Y1060 VanDerWaalsContact CE1-O 3.3Å; F812-Y1060 WeakPolarHBondContact CE1-O 3.35Å; F942-Y1060 HydrophobicContact CB-CD1 4.47Å; I972-Y1060 HydrophobicContact CD1-CD1 3.62Å; I972-Y1060 HydrophobicContact CD1-CD2 4.4Å; I972-Y1060 HydrophobicContact CD1-CE1 4.06Å; I972-Y1060 HydrophobicContact CD1-CG 3.81Å; I974-Y1060 WeakPolarHBondContact CG2-OH 3.5Å; T1058-Y1060 HydrophobicContact CG2-CD2 3.99Å; T1058-Y1060 HydrophobicContact CG2-CE2 3.74Å; T1058-Y1060 PolarHBondContact O-N 2.77Å
1061	Q	96.7	Very high	91.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.4	-179.6	-61	174.7	2.1	0	0	109.5	A738 F942 A943 Y1059	A738-Q1061 HydrophobicContact CB-CB 4.01Å; A738-Q1061 HydrophobicContact CB-CG 4.26Å; F942-Q1061 CarbonylContact C-O 3.53Å; F942-Q1061 WeakPolarHBondContact CA-O 3.4Å; A943-Q1061 PolarHBondContact N-O 2.58Å; A943-Q1061 PolarHBondContact O-N 3.16Å; Y1059-Q1061 HydrophobicContact CE1-CG 4.24Å
1062	R	97.2	Very high	92.7	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.7	167.3	-166.6	179.4	174.1	-172.4	3.8	108.6	A738 M739 F812 S814 R934 V935 D940 F942	A738-R1062 CarbonylContact C-O 3.44Å; M739-R1062 HydrophobicContact CE-CB 3.67Å; M739-R1062 HydrophobicContact CE-CG 3.24Å; M739-R1062 PolarHBondContact N-O 3Å; F812-R1062 HydrophobicContact CB-CB 4.44Å; F812-R1062 HydrophobicContact CD1-CB 4Å; F812-R1062 HydrophobicContact CG-CB 4.44Å; F812-R1062 VanDerWaalsContact O-CD 3.3Å; F812-R1062 WeakPolarHBondContact O-CD 3.06Å; F812-R1062 PolarHBondContact O-NH1 3.29Å; S814-R1062 PolarHBondContact OG-NH1 3.04Å; R934-R1062 PolarHBondContact O-NH1 2.91Å; V935-R1062 PolarHBondContact O-NH2 3.12Å; D940-R1062 IonicContact OD2-CZ 3.16Å; D940-R1062 IonicContact OD2-NE 2.64Å; D940-R1062 IonicContact OD2-NH2 3.11Å; D940-R1062 PolarHBondContact OD2-NH2 3.21Å; F942-R1062 HydrophobicContact CD1-CB 4.03Å; F942-R1062 HydrophobicContact CD1-CG 4.1Å; F942-R1062 HydrophobicContact CE1-CB 3.67Å; F942-R1062 HydrophobicContact CE1-CG 3.47Å; F942-R1062 VanDerWaalsContact CE1-CG 3.47Å; F942-R1062 HydrophobicContact CE2-CG 4.39Å; F942-R1062 HydrophobicContact CZ-CB 4.35Å; F942-R1062 HydrophobicContact CZ-CG 3.63Å
1063	L	96	Very high	93.4	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-89.1	153.1	-178.9	-53.2	-177.8	0	0	0	110.6	Q737 M739 K941 A943 H1065	Q737-L1063 HydrophobicContact CB-CD2 4.35Å; Q737-L1063 WeakPolarHBondContact O-CA 3.3Å; M739-L1063 WeakPolarHBondContact CE-O 3.41Å; K941-L1063 HydrophobicContact CB-CB 4.2Å; K941-L1063 HydrophobicContact CB-CD1 4.08Å; K941-L1063 HydrophobicContact CB-CG 4.49Å; K941-L1063 WeakPolarHBondContact O-CB 3.43Å; K941-L1063 PolarHBondContact O-N 3.2Å; A943-L1063 HydrophobicContact CB-CD1 4.18Å; A943-L1063 HydrophobicContact CB-CD2 4.25Å; A943-L1063 HydrophobicContact CB-CG 4.39Å; L1063-H1065 PolarHBondContact O-N 2.69Å
1064	K	94	Very high	93.3	Very high	81 Å²	81	38.6 Å²	38.6	35%	0.352	20%	0.197	S	C	.	.	S	Bend	trans	-60	-12	177.9	69.2	174	-179.1	-176.6	0	115.8	L478 Q737 M739 M1066	L478-K1064 HydrophobicContact CD1-CB 4.3Å; L478-K1064 HydrophobicContact CD1-CD 4.27Å; L478-K1064 HydrophobicContact CD2-CB 4.24Å; L478-K1064 HydrophobicContact CD2-CD 3.84Å; L478-K1064 HydrophobicContact CD2-CG 4.31Å; Q737-K1064 PolarHBondContact O-N 3.46Å; M739-K1064 HydrophobicContact CG-CB 4.43Å; K1064-M1066 PolarHBondContact O-N 2.69Å; K1064-M1066 VanDerWaalsContact O-N 3.12Å
1065	H	92.3	Very high	93	Very high	53 Å²	53	41.9 Å²	41.9	25%	0.245	23%	0.23	C	C	.	.			trans	-84.2	85.9	-173	-66	121.3	0	0	0	111.1	Q737 K941 L1063	Q737-H1065 PolarHBondContact OE1-CE1 3.17Å; Q737-H1065 PolarHBondContact OE1-ND1 2.96Å; K941-H1065 HydrophobicContact CB-CB 4.36Å; K941-H1065 HydrophobicContact CD-CB 3.98Å; K941-H1065 HydrophobicContact CG-CB 4.1Å; K941-H1065 PolarHBondContact N-O 3.37Å; L1063-H1065 PolarHBondContact O-N 2.69Å
1066	M	92.9	Very high	92.6	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.272	C	S	.	.			trans	-92.2	151.4	177.9	-61.9	173.5	-62.5	0	0	111.8	H755 R934 D940 K1064 D1069	H755-M1066 VanDerWaalsContact CE1-CE 3.43Å; H755-M1066 WeakPolarHBondContact CE1-CE 3.43Å; R934-M1066 HydrophobicContact CB-SD 3.68Å; R934-M1066 HydrophobicContact CG-CE 4.02Å; R934-M1066 HydrophobicContact CG-SD 3.67Å; D940-M1066 VanDerWaalsContact OD1-CA 3.25Å; D940-M1066 WeakPolarHBondContact OD1-CA 3.45Å; D940-M1066 WeakPolarHBondContact OD1-CB 3.19Å; K1064-M1066 PolarHBondContact O-N 2.69Å; K1064-M1066 VanDerWaalsContact O-N 3.12Å; M1066-D1069 VanDerWaalsContact CE-OD2 3.29Å; M1066-D1069 WeakPolarHBondContact CE-OD2 3.48Å; M1066-D1069 PolarHBondContact O-N 2.76Å
1067	V	93.3	Very high	92.3	Very high	45 Å²	45	54.4 Å²	54.4	27%	0.273	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-67	-38.7	-178.4	63.1	0	0	0	0	112.4	Q937 M938 D940 D1069 K1070 I1071	Q937-V1067 HydrophobicContact CG-CG1 3.85Å; M938-V1067 WeakPolarHBondContact O-CG1 3.25Å; D940-V1067 PolarHBondContact OD1-N 3.5Å; D940-V1067 VanDerWaalsContact OD1-N 3.08Å; V1067-D1069 PolarHBondContact O-N 2.97Å; V1067-D1069 VanDerWaalsContact O-N 3.13Å; V1067-K1070 PolarHBondContact O-N 3.44Å; V1067-I1071 PolarHBondContact O-N 2.63Å
1068	D	90.2	Very high	91.9	Very high	66 Å²	66	56.5 Å²	56.5	35%	0.353	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-60.6	-23.3	178.1	-71	-15.6	0	0	0	113.9	R934 Q937 R1090	R934-D1068 IonicContact NH1-OD2 3.73Å; R934-D1068 PolarHBondContact NH1-OD2 3.48Å; Q937-D1068 PolarHBondContact NE2-OD1 2.94Å; Q937-D1068 PolarHBondContact NE2-OD2 3.24Å; D1068-R1090 VanDerWaalsContact C-NH1 3.28Å; D1068-R1090 VanDerWaalsContact O-CZ 3.32Å; D1068-R1090 PolarHBondContact O-NH1 3.37Å; D1068-R1090 PolarHBondContact O-NH2 2.66Å
1069	D	87.1	Confident	91.7	Very high	44 Å²	44	60.6 Å²	60.6	24%	0.235	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-94	-7.4	178.6	-66.8	-6.6	0	0	0	112	R934 M1066 V1067 R1090	R934-D1069 IonicContact CZ-OD1 3.34Å; R934-D1069 IonicContact NH1-OD1 2.69Å; R934-D1069 PolarHBondContact NH1-OD1 2.87Å; R934-D1069 VanDerWaalsContact NH1-OD1 3.08Å; R934-D1069 IonicContact NH2-OD1 3.51Å; R934-D1069 PolarHBondContact NH2-OD1 2.85Å; R934-D1069 IonicContact NH2-OD2 3.28Å; M1066-D1069 VanDerWaalsContact CE-OD2 3.29Å; M1066-D1069 WeakPolarHBondContact CE-OD2 3.48Å; M1066-D1069 PolarHBondContact O-N 2.76Å; V1067-D1069 PolarHBondContact O-N 2.97Å; V1067-D1069 VanDerWaalsContact O-N 3.13Å; D1069-R1090 PolarHBondContact O-NE 3.17Å; D1069-R1090 PolarHBondContact O-NH1 3.35Å; D1069-R1090 PolarHBondContact O-NH2 2.83Å
1070	K	88.8	Confident	91.4	Very high	108 Å²	108	64.9 Å²	64.9	47%	0.47	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-34.4	178.7	-68	-174.8	176.7	-171.3	0	115.7	V1067 H1072	V1067-K1070 PolarHBondContact O-N 3.44Å; K1070-H1072 PolarHBondContact O-N 2.9Å
1071	I	89.9	Confident	91	Very high	119 Å²	119	73 Å²	73	61%	0.61	38%	0.381	S	S	*	.			trans	-53.1	130.7	179.7	-170.7	167.7	0	0	0	111.6	V1067 R1090	V1067-I1071 PolarHBondContact O-N 2.63Å; I1071-R1090 PolarHBondContact O-NE 3.29Å; I1071-R1090 PolarHBondContact O-NH1 2.8Å
1072	H	88.7	Confident	90.8	Very high	52 Å²	52	79.5 Å²	79.5	24%	0.241	41%	0.414	C	S	.	.			trans	-149.9	137.8	-176.6	179.6	58.5	0	0	0	109.8	K1070 R1090 G1094	K1070-H1072 PolarHBondContact O-N 2.9Å; H1072-R1090 HydrophobicContact CB-CG 4.13Å; H1072-G1094 PolarHBondContact CE1-O 3.13Å; H1072-G1094 VanDerWaalsContact CE1-O 3.27Å; H1072-G1094 PolarHBondContact NE2-O 3.44Å
1073	S	88.9	Confident	90.6	Very high	104 Å²	104	80.1 Å²	80.1	73%	0.727	42%	0.419	S	S	*	.			trans	-147.3	154.1	177.9	64.6	0	0	0	0	110.3
1074	R	87.8	Confident	90.5	Very high	65 Å²	65	85.4 Å²	85.4	25%	0.245	44%	0.439	C	S	.	.			trans	-150.3	125.3	177	179.3	-176.1	169.4	125.8	-2.3	109.6	G1077 P1078 P1086 D1093 G1094	R1074-G1077 VanDerWaalsContact NH2-C 3.35Å; R1074-G1077 PolarHBondContact NH2-O 3.37Å; R1074-G1077 VanDerWaalsContact NH2-O 3.15Å; R1074-P1078 PolarHBondContact NH1-O 2.79Å; R1074-P1078 PolarHBondContact NH2-O 2.81Å; R1074-P1086 VanDerWaalsContact CZ-CB 3.46Å; R1074-D1093 PolarHBondContact NH1-O 3.15Å; R1074-G1094 WeakPolarHBondContact CD-O 3.32Å
1075	A	89.1	Confident	90.5	Very high	101 Å²	101	84.9 Å²	84.9	84%	0.835	44%	0.437	S	S	*	.	S	Bend	trans	-95.1	-61.3	169.2	0	0	0	0	0	110.6
1076	R	87.4	Confident	90.6	Very high	239 Å²	239	84 Å²	84	90%	0.902	44%	0.437	S	S	*	.	S	Bend	trans	-136	157.7	164.8	-68.5	-177.1	179.7	173.6	0.8	107.2
1077	G	87.6	Confident	90.5	Very high	32 Å²	32	86 Å²	86	33%	0.33	45%	0.447	S	S	.	.			trans	-169.9	-173.1	-175.2	0	0	0	0	0	112.4	R1074	R1074-G1077 VanDerWaalsContact NH2-C 3.35Å; R1074-G1077 PolarHBondContact NH2-O 3.37Å; R1074-G1077 VanDerWaalsContact NH2-O 3.15Å
1078	P	89.4	Confident	90.3	Very high	63 Å²	63	92 Å²	92	41%	0.409	47%	0.471	S	S	.	.			trans	-59.3	147.9	-180	25.7	-33.9	0	0	0	111.1	R1074 M1087 R1092	R1074-P1078 PolarHBondContact NH1-O 2.79Å; R1074-P1078 PolarHBondContact NH2-O 2.81Å; P1078-M1087 HydrophobicContact CB-CG 3.96Å; P1078-M1087 HydrophobicContact CG-CB 4.42Å; P1078-M1087 HydrophobicContact CG-CG 4.12Å; P1078-M1087 WeakPolarHBondContact O-CG 3.36Å; P1078-M1087 PolarHBondContact O-N 3.29Å; P1078-R1092 VanDerWaalsContact CG-O 3.24Å; P1078-R1092 WeakPolarHBondContact CG-O 3.45Å
1079	L	92.2	Very high	90	Very high	89 Å²	89	90.7 Å²	90.7	47%	0.466	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-113.8	146.1	179.6	-59.6	175.6	0	0	0	109.6	M1081 Q1085	L1079-M1081 PolarHBondContact O-N 3.41Å; L1079-Q1085 CarbonylContact C-O 3.48Å; L1079-Q1085 VanDerWaalsContact CA-O 3.29Å; L1079-Q1085 WeakPolarHBondContact CA-O 3.07Å
1080	Q	91.9	Very high	89.8	Confident	90 Å²	90	91.6 Å²	91.6	42%	0.421	47%	0.474	S	S	.	.			trans	-69.9	127.3	168.5	-170.7	-174.4	18.8	0	0	109	M1082 R1084 Q1085 M1087	Q1080-M1082 VanDerWaalsContact C-N 3.28Å; Q1080-M1082 PolarHBondContact O-N 2.92Å; Q1080-R1084 WeakPolarHBondContact O-CA 3.1Å; Q1080-R1084 PolarHBondContact O-N 2.86Å; Q1080-Q1085 PolarHBondContact N-O 3.43Å; Q1080-M1087 HydrophobicContact CB-SD 3.9Å; Q1080-M1087 HydrophobicContact CG-SD 4.46Å
1081	M	90.6	Very high	89.4	Confident	175 Å²	175	90 Å²	90	86%	0.862	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.9	-173.8	-69.8	-66.8	-84.2	0	0	113.9	L1079	L1079-M1081 PolarHBondContact O-N 3.41Å
1082	M	92.2	Very high	89	Confident	138 Å²	138	92 Å²	92	68%	0.68	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-61.4	-176.8	-177	-174.5	-75.1	0	0	112.1	Q1080 Y1165	Q1080-M1082 VanDerWaalsContact C-N 3.28Å; Q1080-M1082 PolarHBondContact O-N 2.92Å; M1082-Y1165 WeakPolarHBondContact O-CE1 3.43Å
1083	A	93.1	Very high	88.8	Confident	14 Å²	14	93.2 Å²	93.2	12%	0.116	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.4	-176.1	0	0	0	0	0	113.8	Q1085 Y1165	A1083-Q1085 HydrophobicContact CB-CB 4.38Å; A1083-Q1085 HydrophobicContact CB-CG 4.11Å; A1083-Q1085 PolarHBondContact O-N 2.84Å; A1083-Q1085 VanDerWaalsContact O-N 3.16Å; A1083-Y1165 VanDerWaalsContact O-CD1 3.26Å; A1083-Y1165 WeakPolarHBondContact O-CD1 3.16Å
1084	R	93.5	Very high	88.7	Confident	114 Å²	114	88.2 Å²	88.2	43%	0.43	45%	0.45	S	S	.	.			trans	55.2	23.3	-171.4	-57.3	-173.7	-179.3	-170.6	-0.8	114.3	Q1080 Y1165	Q1080-R1084 WeakPolarHBondContact O-CA 3.1Å; Q1080-R1084 PolarHBondContact O-N 2.86Å; R1084-Y1165 HydrophobicContact CB-CD1 4.07Å; R1084-Y1165 HydrophobicContact CB-CG 4.23Å; R1084-Y1165 HydrophobicContact CG-CD1 3.96Å; R1084-Y1165 HydrophobicContact CG-CE1 3.94Å; R1084-Y1165 HydrophobicContact CG-CE2 4.5Å; R1084-Y1165 HydrophobicContact CG-CG 4.24Å
1085	Q	93.5	Very high	88.7	Confident	69 Å²	69	86.3 Å²	86.3	32%	0.322	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-88.8	159.7	174.8	-71.7	-177.5	-27.5	0	0	111.1	L1079 Q1080 A1083 M1087 D1124	L1079-Q1085 CarbonylContact C-O 3.48Å; L1079-Q1085 VanDerWaalsContact CA-O 3.29Å; L1079-Q1085 WeakPolarHBondContact CA-O 3.07Å; Q1080-Q1085 PolarHBondContact N-O 3.43Å; A1083-Q1085 HydrophobicContact CB-CB 4.38Å; A1083-Q1085 HydrophobicContact CB-CG 4.11Å; A1083-Q1085 PolarHBondContact O-N 2.84Å; A1083-Q1085 VanDerWaalsContact O-N 3.16Å; Q1085-M1087 PolarHBondContact O-N 3.34Å; Q1085-D1124 HydrophobicContact CG-CB 4.19Å
1086	P	94	Very high	88.9	Confident	36 Å²	36	88.7 Å²	88.7	23%	0.234	45%	0.448	C	S	.	.	B	Isolated β-bridge	trans	-46.4	135.3	169.9	-33	39.4	0	0	0	113.7	R1074	R1074-P1086 VanDerWaalsContact CZ-CB 3.46Å
1087	M	91.3	Very high	89.1	Confident	44 Å²	44	88.3 Å²	88.3	22%	0.217	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-58.1	159	173.4	-73.4	-66.2	-69.8	0	0	112.2	P1078 Q1080 Q1085 G1094 G1095	P1078-M1087 HydrophobicContact CB-CG 3.96Å; P1078-M1087 HydrophobicContact CG-CB 4.42Å; P1078-M1087 HydrophobicContact CG-CG 4.12Å; P1078-M1087 WeakPolarHBondContact O-CG 3.36Å; P1078-M1087 PolarHBondContact O-N 3.29Å; Q1080-M1087 HydrophobicContact CB-SD 3.9Å; Q1080-M1087 HydrophobicContact CG-SD 4.46Å; Q1085-M1087 PolarHBondContact O-N 3.34Å; M1087-G1094 CarbonylContact O-C 3.57Å; M1087-G1094 VanDerWaalsContact O-C 3.29Å; M1087-G1094 WeakPolarHBondContact O-CA 3.38Å; M1087-G1095 PolarHBondContact O-N 3.31Å
1088	E	89.7	Confident	89.5	Confident	169 Å²	169	89.9 Å²	89.9	79%	0.79	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-95	151.7	171.4	-62.5	-178.1	172.7	0	0	111.9
1089	G	84.4	Confident	89.7	Confident	40 Å²	40	87.6 Å²	87.6	41%	0.412	43%	0.432	S	S	.	.	S	Bend	trans	91.5	136.8	169.5	0	0	0	0	0	115	S1091 R1092 G1094	G1089-S1091 VanDerWaalsContact C-N 3.33Å; G1089-S1091 PolarHBondContact O-N 3.19Å; G1089-R1092 PolarHBondContact O-N 2.99Å; G1089-G1094 WeakPolarHBondContact O-CA 3.4Å; G1089-G1094 PolarHBondContact O-N 2.8Å
1090	R	82.6	Confident	89.8	Confident	62 Å²	62	89.6 Å²	89.6	23%	0.234	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-55.3	-44.6	179.2	-174.6	-164.8	-160.7	-140.5	-146.4	113	S906 D1068 D1069 I1071 H1072 R1092 D1093	S906-R1090 PolarHBondContact OG-NH2 3.06Å; D1068-R1090 VanDerWaalsContact C-NH1 3.28Å; D1068-R1090 VanDerWaalsContact O-CZ 3.32Å; D1068-R1090 PolarHBondContact O-NH1 3.37Å; D1068-R1090 PolarHBondContact O-NH2 2.66Å; D1069-R1090 PolarHBondContact O-NE 3.17Å; D1069-R1090 PolarHBondContact O-NH1 3.35Å; D1069-R1090 PolarHBondContact O-NH2 2.83Å; I1071-R1090 PolarHBondContact O-NE 3.29Å; I1071-R1090 PolarHBondContact O-NH1 2.8Å; H1072-R1090 HydrophobicContact CB-CG 4.13Å; R1090-R1092 PolarHBondContact O-N 3.01Å; R1090-D1093 PolarHBondContact O-N 3.33Å
1091	S	79.6	Confident	90.1	Very high	75 Å²	75	91.9 Å²	91.9	52%	0.524	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-68.9	-2.8	-174.6	61.6	0	0	0	0	114.7	G1089	G1089-S1091 VanDerWaalsContact C-N 3.33Å; G1089-S1091 PolarHBondContact O-N 3.19Å
1092	R	81.9	Confident	90.3	Very high	161 Å²	161	87.9 Å²	87.9	61%	0.608	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-127.2	22.4	-179.5	-62.8	-178	176.5	178.4	-1.7	111.7	P1078 G1089 R1090 G1094	P1078-R1092 VanDerWaalsContact CG-O 3.24Å; P1078-R1092 WeakPolarHBondContact CG-O 3.45Å; G1089-R1092 PolarHBondContact O-N 2.99Å; R1090-R1092 PolarHBondContact O-N 3.01Å; R1092-G1094 PolarHBondContact O-N 3.41Å
1093	D	83.2	Confident	90.5	Very high	77 Å²	77	85.7 Å²	85.7	41%	0.412	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	42.6	-174.8	-57.4	-37.1	0	0	0	112.6	R1074 R1090	R1074-D1093 PolarHBondContact NH1-O 3.15Å; R1090-D1093 PolarHBondContact O-N 3.33Å
1094	G	87.6	Confident	90.7	Very high	0 Å²	0	88.7 Å²	88.7	0%	0	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-66.7	164.8	-177.6	0	0	0	0	0	114	H1072 R1074 M1087 G1089 R1092	H1072-G1094 PolarHBondContact CE1-O 3.13Å; H1072-G1094 VanDerWaalsContact CE1-O 3.27Å; H1072-G1094 PolarHBondContact NE2-O 3.44Å; R1074-G1094 WeakPolarHBondContact CD-O 3.32Å; M1087-G1094 CarbonylContact O-C 3.57Å; M1087-G1094 VanDerWaalsContact O-C 3.29Å; M1087-G1094 WeakPolarHBondContact O-CA 3.38Å; G1089-G1094 WeakPolarHBondContact O-CA 3.4Å; G1089-G1094 PolarHBondContact O-N 2.8Å; R1092-G1094 PolarHBondContact O-N 3.41Å
1095	G	88.6	Confident	90.9	Very high	24 Å²	24	86.7 Å²	86.7	25%	0.247	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-79.9	166.7	171.6	0	0	0	0	0	113	M1087	M1087-G1095 PolarHBondContact O-N 3.31Å
1096	L	92.3	Very high	91	Very high	152 Å²	152	85.4 Å²	85.4	80%	0.796	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-86.6	143.2	162.9	-65.7	176	0	0	0	109	F1098	L1096-F1098 PolarHBondContact O-N 3.1Å
1097	R	92.8	Very high	91.2	Very high	230 Å²	230	88.2 Å²	88.2	87%	0.868	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-78.1	123.5	178.3	-175.7	175.2	179.8	177.6	-1.9	109.7
1098	F	94	Very high	91.5	Very high	66 Å²	66	90.3 Å²	90.3	29%	0.289	46%	0.462	S	S	.	.			trans	-96	102.8	164.8	-170.7	-94.6	0	0	0	107.6	L1096 E1102 R1103 Q1106 L1115 L1119	L1096-F1098 PolarHBondContact O-N 3.1Å; F1098-E1102 HydrophobicContact CD2-CB 3.77Å; F1098-E1102 HydrophobicContact CD2-CG 4.5Å; F1098-E1102 HydrophobicContact CE1-CB 4.33Å; F1098-E1102 HydrophobicContact CE2-CB 3.54Å; F1098-E1102 HydrophobicContact CG-CB 4.27Å; F1098-E1102 HydrophobicContact CZ-CB 3.83Å; F1098-R1103 HydrophobicContact CE1-CB 3.9Å; F1098-Q1106 HydrophobicContact CE2-CG 4.4Å; F1098-Q1106 HydrophobicContact CZ-CG 3.84Å; F1098-L1115 HydrophobicContact CE1-CD1 3.95Å; F1098-L1115 HydrophobicContact CZ-CD1 4.28Å; F1098-L1119 HydrophobicContact CD1-CD2 3.83Å; F1098-L1119 HydrophobicContact CD1-CG 4.45Å; F1098-L1119 HydrophobicContact CE1-CD2 4.25Å; F1098-L1119 HydrophobicContact CE1-CG 4.46Å
1099	G	93.9	Very high	91.9	Very high	15 Å²	15	89.5 Å²	89.5	16%	0.155	46%	0.458	C	S	.	.			trans	-87.9	-173.3	-170.7	0	0	0	0	0	113.8	E1102 R1103	G1099-E1102 WeakPolarHBondContact CA-OE2 3.39Å; G1099-E1102 PolarHBondContact N-OE2 2.71Å; G1099-R1103 WeakPolarHBondContact O-CB 3.23Å; G1099-R1103 PolarHBondContact O-N 3.34Å
1100	E	95.9	Very high	92.4	Very high	130 Å²	130	90.4 Å²	90.4	61%	0.607	47%	0.467	S	S	*	.	H	α-helix	trans	-66.8	-37.4	177.2	65.9	-169.6	-176.8	0	0	112.2	R1103 D1104	E1100-R1103 WeakPolarHBondContact O-CB 3.49Å; E1100-R1103 PolarHBondContact O-N 2.88Å; E1100-D1104 WeakPolarHBondContact O-CB 3.34Å; E1100-D1104 PolarHBondContact O-N 3.49Å
1101	M	96.6	Very high	93.1	Very high	138 Å²	138	89 Å²	89	68%	0.68	47%	0.469	S	S	*	.	H	α-helix	trans	-66.6	-45.3	178.4	-66.6	-176.7	179	0	0	110.8	R1103 D1104 C1105	M1101-R1103 VanDerWaalsContact C-N 3.33Å; M1101-R1103 PolarHBondContact O-N 3.07Å; M1101-D1104 PolarHBondContact O-N 2.94Å; M1101-C1105 PolarHBondContact O-N 3.1Å; M1101-C1105 PolarHBondContact O-SG 3.32Å
1102	E	95.8	Very high	93.9	Very high	91 Å²	91	88.9 Å²	88.9	43%	0.425	47%	0.472	S	S	.	.	H	α-helix	trans	-64.9	-38.6	177.2	-63.5	78.4	-172.3	0	0	111.6	F1098 G1099 C1105 Q1106	F1098-E1102 HydrophobicContact CD2-CB 3.77Å; F1098-E1102 HydrophobicContact CD2-CG 4.5Å; F1098-E1102 HydrophobicContact CE1-CB 4.33Å; F1098-E1102 HydrophobicContact CE2-CB 3.54Å; F1098-E1102 HydrophobicContact CG-CB 4.27Å; F1098-E1102 HydrophobicContact CZ-CB 3.83Å; G1099-E1102 WeakPolarHBondContact CA-OE2 3.39Å; G1099-E1102 PolarHBondContact N-OE2 2.71Å; E1102-C1105 PolarHBondContact O-N 3.12Å; E1102-Q1106 WeakPolarHBondContact O-CG 3.39Å; E1102-Q1106 PolarHBondContact O-N 3.07Å; E1102-Q1106 VanDerWaalsContact O-N 3.13Å
1103	R	96	Very high	94.6	Very high	93 Å²	93	88.2 Å²	88.2	35%	0.351	48%	0.48	S	S	.	.	H	α-helix	trans	-57.7	-50.3	171.3	176.8	-157.8	69.4	-157.4	-4.7	110.7	F1098 G1099 E1100 M1101 C1105 Q1106 I1107 L1115 L1119	F1098-R1103 HydrophobicContact CE1-CB 3.9Å; G1099-R1103 WeakPolarHBondContact O-CB 3.23Å; G1099-R1103 PolarHBondContact O-N 3.34Å; E1100-R1103 WeakPolarHBondContact O-CB 3.49Å; E1100-R1103 PolarHBondContact O-N 2.88Å; M1101-R1103 VanDerWaalsContact C-N 3.33Å; M1101-R1103 PolarHBondContact O-N 3.07Å; R1103-C1105 VanDerWaalsContact C-N 3.31Å; R1103-C1105 PolarHBondContact O-N 2.84Å; R1103-Q1106 PolarHBondContact O-N 2.94Å; R1103-I1107 HydrophobicContact CG-CD1 3.95Å; R1103-I1107 HydrophobicContact CG-CG1 4.49Å; R1103-I1107 WeakPolarHBondContact O-CG1 3.14Å; R1103-I1107 PolarHBondContact O-N 3.15Å; R1103-L1115 HydrophobicContact CB-CD1 4.1Å; R1103-L1115 HydrophobicContact CG-CD1 3.59Å; R1103-L1115 HydrophobicContact CG-CD2 4.3Å; R1103-L1115 HydrophobicContact CG-CG 4.48Å; R1103-L1119 HydrophobicContact CG-CD1 4.2Å
1104	D	97.4	Very high	95.2	Very high	76 Å²	76	88.1 Å²	88.1	41%	0.406	48%	0.476	S	S	.	.	H	α-helix	trans	-66.1	-34.8	-176.2	-68.2	-8.2	0	0	0	111.7	E1100 M1101 Q1106 I1107 A1108	E1100-D1104 WeakPolarHBondContact O-CB 3.34Å; E1100-D1104 PolarHBondContact O-N 3.49Å; M1101-D1104 PolarHBondContact O-N 2.94Å; D1104-Q1106 PolarHBondContact O-N 3.22Å; D1104-I1107 PolarHBondContact O-N 3.1Å; D1104-A1108 WeakPolarHBondContact O-CB 3.35Å; D1104-A1108 PolarHBondContact O-N 3.14Å
1105	C	97.6	Very high	95.7	Very high	72 Å²	72	89.5 Å²	89.5	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-59.9	-43.2	169.4	-68.7	0	0	0	0	112.2	M1101 E1102 R1103 A1108 H1109	M1101-C1105 PolarHBondContact O-N 3.1Å; M1101-C1105 PolarHBondContact O-SG 3.32Å; E1102-C1105 PolarHBondContact O-N 3.12Å; R1103-C1105 VanDerWaalsContact C-N 3.31Å; R1103-C1105 PolarHBondContact O-N 2.84Å; C1105-A1108 WeakPolarHBondContact O-CB 3.49Å; C1105-A1108 PolarHBondContact O-N 3.48Å; C1105-H1109 PolarHBondContact O-CD2 3.07Å; C1105-H1109 PolarHBondContact O-N 3.32Å
1106	Q	96.5	Very high	96	Very high	43 Å²	43	94.2 Å²	94.2	20%	0.201	50%	0.497	C	S	.	.	H	α-helix	trans	-69.8	-33.2	177.9	-65.1	-55.5	-38.7	0	0	112.8	F1098 E1102 R1103 D1104 H1109 G1110 A1111 F1114 L1115	F1098-Q1106 HydrophobicContact CE2-CG 4.4Å; F1098-Q1106 HydrophobicContact CZ-CG 3.84Å; E1102-Q1106 WeakPolarHBondContact O-CG 3.39Å; E1102-Q1106 PolarHBondContact O-N 3.07Å; E1102-Q1106 VanDerWaalsContact O-N 3.13Å; R1103-Q1106 PolarHBondContact O-N 2.94Å; D1104-Q1106 PolarHBondContact O-N 3.22Å; Q1106-H1109 PolarHBondContact O-N 3.16Å; Q1106-G1110 PolarHBondContact O-N 3.14Å; Q1106-A1111 PolarHBondContact O-N 2.78Å; Q1106-F1114 HydrophobicContact CG-CD1 3.81Å; Q1106-F1114 HydrophobicContact CG-CE1 3.84Å; Q1106-F1114 VanDerWaalsContact OE1-CD1 3.3Å; Q1106-L1115 HydrophobicContact CB-CB 4.49Å; Q1106-L1115 HydrophobicContact CB-CD1 3.98Å
1107	I	97.4	Very high	96.1	Very high	95 Å²	95	90.2 Å²	90.2	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-62.3	-45.6	169.9	-65.9	169.9	0	0	0	109.7	R1103 D1104 H1109 G1110 L1115	R1103-I1107 HydrophobicContact CG-CD1 3.95Å; R1103-I1107 HydrophobicContact CG-CG1 4.49Å; R1103-I1107 WeakPolarHBondContact O-CG1 3.14Å; R1103-I1107 PolarHBondContact O-N 3.15Å; D1104-I1107 PolarHBondContact O-N 3.1Å; I1107-H1109 VanDerWaalsContact C-N 3.32Å; I1107-H1109 PolarHBondContact O-N 2.85Å; I1107-G1110 PolarHBondContact O-N 3.15Å; I1107-L1115 HydrophobicContact CD1-CD2 4.22Å; I1107-L1115 HydrophobicContact CG1-CD2 3.62Å
1108	A	97.7	Very high	96.2	Very high	88 Å²	88	83.5 Å²	83.5	73%	0.727	45%	0.449	S	S	*	.	H	α-helix	trans	-62.6	-35.6	178.3	0	0	0	0	0	112.9	D1104 C1105 G1110	D1104-A1108 WeakPolarHBondContact O-CB 3.35Å; D1104-A1108 PolarHBondContact O-N 3.14Å; C1105-A1108 WeakPolarHBondContact O-CB 3.49Å; C1105-A1108 PolarHBondContact O-N 3.48Å; A1108-G1110 VanDerWaalsContact C-N 3.26Å; A1108-G1110 PolarHBondContact O-N 3.39Å
1109	H	97.4	Very high	96.2	Very high	151 Å²	151	83.9 Å²	83.9	70%	0.699	45%	0.454	S	S	*	.	H	α-helix	trans	-70.9	-17.3	171.2	-76.2	-63	0	0	0	113.9	C1105 Q1106 I1107 A1111	C1105-H1109 PolarHBondContact O-CD2 3.07Å; C1105-H1109 PolarHBondContact O-N 3.32Å; Q1106-H1109 PolarHBondContact O-N 3.16Å; I1107-H1109 VanDerWaalsContact C-N 3.32Å; I1107-H1109 PolarHBondContact O-N 2.85Å; H1109-A1111 VanDerWaalsContact C-N 3.31Å; H1109-A1111 HydrophobicContact CB-CB 4.4Å
1110	G	96.5	Very high	96.3	Very high	59 Å²	59	84 Å²	84	61%	0.608	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	16.4	-172.7	0	0	0	0	0	114.1	Q1106 I1107 A1108 A1112	Q1106-G1110 PolarHBondContact O-N 3.14Å; I1107-G1110 PolarHBondContact O-N 3.15Å; A1108-G1110 VanDerWaalsContact C-N 3.26Å; A1108-G1110 PolarHBondContact O-N 3.39Å; G1110-A1112 PolarHBondContact O-N 3.12Å
1111	A	96.8	Very high	96.2	Very high	33 Å²	33	81.9 Å²	81.9	27%	0.273	44%	0.44	S	S	.	.			trans	-81.8	56.3	-175.6	0	0	0	0	0	112.4	Q1106 H1109 L1113 F1114 L1115	Q1106-A1111 PolarHBondContact O-N 2.78Å; H1109-A1111 VanDerWaalsContact C-N 3.31Å; H1109-A1111 HydrophobicContact CB-CB 4.4Å; A1111-L1113 VanDerWaalsContact C-N 3.32Å; A1111-L1113 PolarHBondContact O-N 3.22Å; A1111-F1114 HydrophobicContact CB-CB 4.1Å; A1111-F1114 PolarHBondContact O-N 3.24Å; A1111-F1114 VanDerWaalsContact O-N 3.14Å; A1111-L1115 PolarHBondContact O-N 3.09Å
1112	A	96.4	Very high	96	Very high	72 Å²	72	79 Å²	79	60%	0.595	43%	0.43	S	S	*	.	H	α-helix	trans	-59.2	-37.1	-172.1	0	0	0	0	0	114	G1110 L1115 K1116	G1110-A1112 PolarHBondContact O-N 3.12Å; A1112-L1115 PolarHBondContact O-N 3.31Å; A1112-K1116 WeakPolarHBondContact O-CB 3.39Å; A1112-K1116 PolarHBondContact O-N 3.3Å
1113	L	96.3	Very high	95.8	Very high	147 Å²	147	76 Å²	76	77%	0.77	42%	0.42	S	S	*	.	H	α-helix	trans	-65.8	-44.3	176.2	-72.2	174.9	0	0	0	111.8	A1111 L1115 K1116 E1117	A1111-L1113 VanDerWaalsContact C-N 3.32Å; A1111-L1113 PolarHBondContact O-N 3.22Å; L1113-L1115 VanDerWaalsContact C-N 3.34Å; L1113-K1116 PolarHBondContact O-N 3.44Å; L1113-E1117 WeakPolarHBondContact O-CB 3.37Å; L1113-E1117 PolarHBondContact O-N 2.74Å
1114	F	96.8	Very high	95.7	Very high	76 Å²	76	72 Å²	72	33%	0.333	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-41.9	175.7	177.8	-104	0	0	0	111.1	Q1106 A1111 K1116 E1117 R1118	Q1106-F1114 HydrophobicContact CG-CD1 3.81Å; Q1106-F1114 HydrophobicContact CG-CE1 3.84Å; Q1106-F1114 VanDerWaalsContact OE1-CD1 3.3Å; A1111-F1114 HydrophobicContact CB-CB 4.1Å; A1111-F1114 PolarHBondContact O-N 3.24Å; A1111-F1114 VanDerWaalsContact O-N 3.14Å; F1114-K1116 PolarHBondContact O-N 2.8Å; F1114-E1117 WeakPolarHBondContact O-CB 3.46Å; F1114-E1117 PolarHBondContact O-N 3.31Å; F1114-R1118 HydrophobicContact CD1-CG 4.12Å; F1114-R1118 HydrophobicContact CD2-CG 4.23Å; F1114-R1118 HydrophobicContact CE1-CG 3.7Å; F1114-R1118 HydrophobicContact CE2-CG 3.82Å; F1114-R1118 HydrophobicContact CG-CG 4.38Å; F1114-R1118 HydrophobicContact CZ-CG 3.54Å; F1114-R1118 WeakPolarHBondContact O-CG 3.45Å; F1114-R1118 PolarHBondContact O-N 3.47Å
1115	L	96.2	Very high	95.6	Very high	28 Å²	28	71.8 Å²	71.8	15%	0.147	41%	0.408	C	S	.	.	H	α-helix	trans	-60.1	-45.9	176.1	-171.7	68.8	0	0	0	111.8	F1098 R1103 Q1106 I1107 A1111 A1112 L1113 E1117 R1118 L1119	F1098-L1115 HydrophobicContact CE1-CD1 3.95Å; F1098-L1115 HydrophobicContact CZ-CD1 4.28Å; R1103-L1115 HydrophobicContact CB-CD1 4.1Å; R1103-L1115 HydrophobicContact CG-CD1 3.59Å; R1103-L1115 HydrophobicContact CG-CD2 4.3Å; R1103-L1115 HydrophobicContact CG-CG 4.48Å; Q1106-L1115 HydrophobicContact CB-CB 4.49Å; Q1106-L1115 HydrophobicContact CB-CD1 3.98Å; I1107-L1115 HydrophobicContact CD1-CD2 4.22Å; I1107-L1115 HydrophobicContact CG1-CD2 3.62Å; A1111-L1115 PolarHBondContact O-N 3.09Å; A1112-L1115 PolarHBondContact O-N 3.31Å; L1113-L1115 VanDerWaalsContact C-N 3.34Å; L1115-E1117 VanDerWaalsContact C-N 3.35Å; L1115-R1118 PolarHBondContact O-N 3.07Å; L1115-L1119 HydrophobicContact CD1-CD1 3.92Å; L1115-L1119 HydrophobicContact CD1-CG 4.34Å; L1115-L1119 HydrophobicContact CG-CD1 4.05Å; L1115-L1119 WeakPolarHBondContact O-CB 3.34Å; L1115-L1119 PolarHBondContact O-N 3.13Å
1116	K	95.5	Very high	95.5	Very high	124 Å²	124	71.7 Å²	71.7	54%	0.539	40%	0.397	S	S	.	.	H	α-helix	trans	-60.3	-44.8	173.9	-179.2	-175.9	175.2	-173.5	0	111	A1112 L1113 F1114 F1120	A1112-K1116 WeakPolarHBondContact O-CB 3.39Å; A1112-K1116 PolarHBondContact O-N 3.3Å; L1113-K1116 PolarHBondContact O-N 3.44Å; F1114-K1116 PolarHBondContact O-N 2.8Å; K1116-F1120 WeakPolarHBondContact O-CB 2.98Å; K1116-F1120 PolarHBondContact O-N 3.19Å
1117	E	95.5	Very high	95.4	Very high	68 Å²	68	71.8 Å²	71.8	32%	0.318	40%	0.401	S	S	.	.	I	π-helix	trans	-59.5	-49.2	178.9	-168	-159	154.1	0	0	111.7	L1113 F1114 L1115 E1121 V1122	L1113-E1117 WeakPolarHBondContact O-CB 3.37Å; L1113-E1117 PolarHBondContact O-N 2.74Å; F1114-E1117 WeakPolarHBondContact O-CB 3.46Å; F1114-E1117 PolarHBondContact O-N 3.31Å; L1115-E1117 VanDerWaalsContact C-N 3.35Å; E1117-E1121 HydrophobicContact CG-CB 4.38Å; E1117-E1121 PolarHBondContact O-N 3.18Å; E1117-V1122 HydrophobicContact CG-CG2 4.08Å; E1117-V1122 PolarHBondContact O-N 3.4Å
1118	R	94	Very high	95.3	Very high	88 Å²	88	67.6 Å²	67.6	33%	0.332	38%	0.38	S	S	.	.	I	π-helix	trans	-66.2	-47.7	-177.9	-68.1	-60.3	102.6	168.6	7	112.9	F1114 L1115	F1114-R1118 HydrophobicContact CD1-CG 4.12Å; F1114-R1118 HydrophobicContact CD2-CG 4.23Å; F1114-R1118 HydrophobicContact CE1-CG 3.7Å; F1114-R1118 HydrophobicContact CE2-CG 3.82Å; F1114-R1118 HydrophobicContact CG-CG 4.38Å; F1114-R1118 HydrophobicContact CZ-CG 3.54Å; F1114-R1118 WeakPolarHBondContact O-CG 3.45Å; F1114-R1118 PolarHBondContact O-N 3.47Å; L1115-R1118 PolarHBondContact O-N 3.07Å
1119	L	95.1	Very high	95.1	Very high	75 Å²	75	65 Å²	65	39%	0.393	35%	0.352	S	S	.	.	I	π-helix	trans	-79.1	-20.8	-176.3	-69.1	179.5	0	0	0	113.8	F1098 R1103 L1115	F1098-L1119 HydrophobicContact CD1-CD2 3.83Å; F1098-L1119 HydrophobicContact CD1-CG 4.45Å; F1098-L1119 HydrophobicContact CE1-CD2 4.25Å; F1098-L1119 HydrophobicContact CE1-CG 4.46Å; R1103-L1119 HydrophobicContact CG-CD1 4.2Å; L1115-L1119 HydrophobicContact CD1-CD1 3.92Å; L1115-L1119 HydrophobicContact CD1-CG 4.34Å; L1115-L1119 HydrophobicContact CG-CD1 4.05Å; L1115-L1119 WeakPolarHBondContact O-CB 3.34Å; L1115-L1119 PolarHBondContact O-N 3.13Å
1120	F	94.7	Very high	94.9	Very high	17 Å²	17	57.9 Å²	57.9	8%	0.075	32%	0.319	C	S	.	.	I	π-helix	trans	-121.8	-60	-175.5	175.3	-130.9	0	0	0	113.4	K1116 D1124 P1125 R1162 M1163 P1164	K1116-F1120 WeakPolarHBondContact O-CB 2.98Å; K1116-F1120 PolarHBondContact O-N 3.19Å; F1120-D1124 CarbonylContact O-C 3.21Å; F1120-D1124 PolarHBondContact O-N 3.42Å; F1120-P1125 HydrophobicContact CE2-CB 4.23Å; F1120-P1125 HydrophobicContact CZ-CB 4.43Å; F1120-P1125 WeakPolarHBondContact O-CD 3.35Å; F1120-R1162 HydrophobicContact CE1-CB 4.1Å; F1120-R1162 HydrophobicContact CZ-CB 3.81Å; F1120-M1163 VanDerWaalsContact CE2-O 3.28Å; F1120-M1163 WeakPolarHBondContact CE2-O 3.26Å; F1120-P1164 HydrophobicContact CB-CG 4.39Å; F1120-P1164 HydrophobicContact CD2-CB 4.12Å; F1120-P1164 HydrophobicContact CD2-CG 3.68Å; F1120-P1164 HydrophobicContact CE2-CG 4.38Å; F1120-P1164 HydrophobicContact CG-CG 4.33Å
1121	E	93.6	Very high	94.8	Very high	86 Å²	86	55 Å²	55	40%	0.402	29%	0.29	S	S	.	.	I	π-helix	trans	-73.8	-34.2	-168.9	-60.1	-156.7	136.3	0	0	113.9	E1117 P1125 R1162	E1117-E1121 HydrophobicContact CG-CB 4.38Å; E1117-E1121 PolarHBondContact O-N 3.18Å; E1121-P1125 WeakPolarHBondContact O-CG 3.03Å; E1121-R1162 IonicContact OE1-CZ 2.74Å; E1121-R1162 IonicContact OE1-NH1 3.83Å; E1121-R1162 IonicContact OE1-NH2 3.38Å; E1121-R1162 PolarHBondContact OE1-NH2 2.99Å
1122	V	92.8	Very high	94.5	Very high	77 Å²	77	57 Å²	57	47%	0.467	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-18.3	-177.4	177.9	0	0	0	0	112.7	E1117	E1117-V1122 HydrophobicContact CG-CG2 4.08Å; E1117-V1122 PolarHBondContact O-N 3.4Å
1123	S	92.1	Very high	94.3	Very high	29 Å²	29	59.6 Å²	59.6	20%	0.203	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-72.1	-177.8	169.3	0	0	0	0	112.2
1124	D	93.9	Very high	94	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.043	26%	0.262	C	S	.	.			trans	-146.7	59.1	-167.7	61.8	-54.4	0	0	0	113	Q1085 F1120 Y1126 P1164 Y1165 A1166	Q1085-D1124 HydrophobicContact CG-CB 4.19Å; F1120-D1124 CarbonylContact O-C 3.21Å; F1120-D1124 PolarHBondContact O-N 3.42Å; D1124-Y1126 PolarHBondContact O-N 2.77Å; D1124-P1164 WeakPolarHBondContact OD2-CB 3.49Å; D1124-Y1165 PolarHBondContact O-N 2.92Å; D1124-Y1165 PolarHBondContact OD2-N 3.22Å; D1124-A1166 PolarHBondContact OD2-N 3.09Å
1125	P	95.5	Very high	93.8	Very high	71 Å²	71	49.8 Å²	49.8	46%	0.461	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	121.3	179.8	27.7	-34.3	0	0	0	111.1	F1120 E1121	F1120-P1125 HydrophobicContact CE2-CB 4.23Å; F1120-P1125 HydrophobicContact CZ-CB 4.43Å; F1120-P1125 WeakPolarHBondContact O-CD 3.35Å; E1121-P1125 WeakPolarHBondContact O-CG 3.03Å
1126	Y	95.8	Very high	93.7	Very high	70 Å²	70	50.5 Å²	50.5	28%	0.275	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.5	179.5	-161.6	-113.1	0	0	0	112.7	D1124 V1128 R1162 M1163 Y1165 K1168	D1124-Y1126 PolarHBondContact O-N 2.77Å; Y1126-V1128 HydrophobicContact CD1-CG1 3.76Å; Y1126-V1128 HydrophobicContact CE1-CG1 3.72Å; Y1126-R1162 WeakPolarHBondContact O-CA 3.36Å; Y1126-M1163 CarbonylContact C-O 3.54Å; Y1126-M1163 WeakPolarHBondContact CA-O 3.29Å; Y1126-M1163 WeakPolarHBondContact CB-O 3.49Å; Y1126-M1163 PolarHBondContact N-O 2.87Å; Y1126-M1163 PolarHBondContact O-N 3.1Å; Y1126-Y1165 AromaticContact CD1-CD2 3.82Å; Y1126-Y1165 HydrophobicContact CD1-CD2 3.82Å; Y1126-Y1165 HydrophobicContact CD1-CE2 4.49Å; Y1126-Y1165 AromaticContact CD2-CD2 3.68Å; Y1126-Y1165 HydrophobicContact CD2-CD2 3.68Å; Y1126-Y1165 HydrophobicContact CD2-CE2 4.38Å; Y1126-Y1165 HydrophobicContact CE1-CD2 4.02Å; Y1126-Y1165 HydrophobicContact CE1-CE2 4.24Å; Y1126-Y1165 AromaticContact CE2-CD2 3.88Å; Y1126-Y1165 HydrophobicContact CE2-CD2 3.88Å; Y1126-Y1165 HydrophobicContact CE2-CE2 4.12Å; Y1126-Y1165 AromaticContact CG-CD2 3.65Å; Y1126-Y1165 HydrophobicContact CG-CD2 3.65Å; Y1126-Y1165 HydrophobicContact CG-CG 4.46Å; Y1126-K1168 HydrophobicContact CD1-CB 4.42Å; Y1126-K1168 HydrophobicContact CD1-CG 4.36Å; Y1126-K1168 HydrophobicContact CE1-CD 4.41Å; Y1126-K1168 HydrophobicContact CE1-CG 4.25Å
1127	V	94.2	Very high	93.5	Very high	45 Å²	45	47.8 Å²	47.8	27%	0.273	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.2	-177.9	-178.9	0	0	0	0	108.4	R1160 V1161 R1162	V1127-R1160 HydrophobicContact CG1-CG 3.52Å; V1127-V1161 WeakPolarHBondContact CA-O 3.43Å; V1127-R1162 HydrophobicContact CG2-CG 4.25Å
1128	V	94	Very high	93.4	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	158.7	173.4	-63.9	0	0	0	0	110.4	Y1126 V1130 V1137 V1161 M1163 K1168	Y1126-V1128 HydrophobicContact CD1-CG1 3.76Å; Y1126-V1128 HydrophobicContact CE1-CG1 3.72Å; V1128-V1130 HydrophobicContact CG2-CG2 4.05Å; V1128-V1137 HydrophobicContact CB-CG1 4.46Å; V1128-V1161 HydrophobicContact CG2-CB 4.08Å; V1128-V1161 PolarHBondContact N-O 2.64Å; V1128-V1161 PolarHBondContact O-N 2.68Å; V1128-M1163 HydrophobicContact CB-SD 4.45Å; V1128-M1163 HydrophobicContact CG1-CG 4.47Å; V1128-M1163 HydrophobicContact CG1-SD 4.13Å; V1128-M1163 HydrophobicContact CG2-CG 4.02Å; V1128-M1163 HydrophobicContact CG2-SD 3.46Å; V1128-M1163 WeakPolarHBondContact CG2-SD 3.46Å; V1128-K1168 HydrophobicContact CG1-CB 4.4Å; V1128-K1168 HydrophobicContact CG1-CG 3.97Å
1129	F	93.5	Very high	93.3	Very high	35 Å²	35	45.2 Å²	45.2	15%	0.154	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.7	173	-67.5	-92	0	0	0	108.2	V1137 A1138 A1140 V1142 F1147 I1158 T1159 R1160	F1129-V1137 CarbonylContact O-C 3.6Å; F1129-V1137 WeakPolarHBondContact O-CA 3.45Å; F1129-A1138 PolarHBondContact O-N 3.07Å; F1129-A1140 HydrophobicContact CB-CB 3.72Å; F1129-A1140 HydrophobicContact CD1-CB 4.33Å; F1129-A1140 HydrophobicContact CD2-CB 3.18Å; F1129-A1140 HydrophobicContact CE2-CB 3.8Å; F1129-A1140 HydrophobicContact CG-CB 3.48Å; F1129-A1140 VanDerWaalsContact CG-CB 3.48Å; F1129-V1142 HydrophobicContact CE2-CG2 3.65Å; F1129-V1142 HydrophobicContact CZ-CG2 3.76Å; F1129-F1147 AromaticContact CD1-CD1 3.94Å; F1129-F1147 HydrophobicContact CD1-CD1 3.94Å; F1129-F1147 AromaticContact CD1-CE1 3.71Å; F1129-F1147 HydrophobicContact CD1-CE1 3.71Å; F1129-F1147 HydrophobicContact CD2-CE1 4.49Å; F1129-F1147 HydrophobicContact CE1-CD1 4.14Å; F1129-F1147 AromaticContact CE1-CE1 3.43Å; F1129-F1147 HydrophobicContact CE1-CE1 3.43Å; F1129-F1147 VanDerWaalsContact CE1-CE1 3.43Å; F1129-F1147 AromaticContact CE1-CZ 3.96Å; F1129-F1147 HydrophobicContact CE1-CZ 3.96Å; F1129-F1147 HydrophobicContact CE2-CE1 4.26Å; F1129-F1147 HydrophobicContact CG-CD1 4.29Å; F1129-F1147 HydrophobicContact CG-CE1 4.23Å; F1129-F1147 AromaticContact CZ-CE1 3.73Å; F1129-F1147 HydrophobicContact CZ-CE1 3.73Å; F1129-F1147 HydrophobicContact CZ-CZ 4.32Å; F1129-I1158 HydrophobicContact CB-CG2 3.74Å; F1129-I1158 HydrophobicContact CD1-CG2 4.25Å; F1129-I1158 HydrophobicContact CG-CG2 4.48Å; F1129-T1159 CarbonylContact C-O 3.57Å; F1129-T1159 WeakPolarHBondContact CA-O 3.42Å; F1129-R1160 HydrophobicContact CD1-CB 4.2Å; F1129-R1160 HydrophobicContact CE1-CB 4.02Å; F1129-R1160 HydrophobicContact CE1-CG 4.12Å; F1129-R1160 HydrophobicContact CZ-CG 4.39Å
1130	V	94	Very high	93.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.7	-172.2	-176	0	0	0	0	109	V1128 L1136 I1158 T1159 V1161 M1183 I1185	V1128-V1130 HydrophobicContact CG2-CG2 4.05Å; V1130-L1136 WeakPolarHBondContact CA-O 3.31Å; V1130-I1158 CarbonylContact O-C 3.56Å; V1130-I1158 WeakPolarHBondContact O-CA 3.24Å; V1130-T1159 PolarHBondContact N-O 3Å; V1130-T1159 PolarHBondContact O-N 3.18Å; V1130-V1161 HydrophobicContact CG2-CB 4.36Å; V1130-V1161 HydrophobicContact CG2-CG2 3.99Å; V1130-M1183 HydrophobicContact CB-CE 4.32Å; V1130-M1183 HydrophobicContact CG1-CB 4.19Å; V1130-M1183 HydrophobicContact CG1-CE 3.94Å; V1130-M1183 HydrophobicContact CG2-CE 3.37Å; V1130-M1183 HydrophobicContact CG2-SD 3.92Å; V1130-I1185 HydrophobicContact CB-CD1 3.65Å; V1130-I1185 HydrophobicContact CG1-CD1 3.69Å; V1130-I1185 HydrophobicContact CG2-CD1 3.99Å
1131	C	93.9	Very high	92.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	122.7	175.7	176.6	0	0	0	0	110.6	K1133 C1134 G1135 L1136 A1138 C1149 N1154	C1131-K1133 PolarHBondContact O-N 3.07Å; C1131-K1133 VanDerWaalsContact O-N 3.16Å; C1131-C1134 VanDerWaalsContact CB-SG 3.56Å; C1131-C1134 PolarHBondContact O-N 3Å; C1131-G1135 WeakPolarHBondContact O-CA 3.41Å; C1131-G1135 PolarHBondContact O-N 3.37Å; C1131-L1136 PolarHBondContact N-O 2.96Å; C1131-A1138 HydrophobicContact CB-CB 4.39Å; C1131-C1149 HydrophobicContact CB-CB 3.64Å; C1131-C1149 VanDerWaalsContact SG-CB 3.55Å; C1131-C1149 VanDerWaalsContact SG-SG 3.63Å; C1131-N1154 PolarHBondContact SG-ND2 3.34Å
1132	N	91.8	Very high	92.6	Very high	73 Å²	73	46 Å²	46	39%	0.39	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.2	-176.9	-65.6	3.5	0	0	0	112.6	E1157 T1159	N1132-E1157 HydrophobicContact CB-CB 4.01Å; N1132-E1157 PolarHBondContact N-O 2.95Å; N1132-T1159 VanDerWaalsContact CG-OG1 3.31Å; N1132-T1159 PolarHBondContact ND2-OG1 3.4Å; N1132-T1159 WeakPolarHBondContact OD1-CB 3.31Å; N1132-T1159 PolarHBondContact OD1-N 3.36Å; N1132-T1159 PolarHBondContact OD1-OG1 3.45Å
1133	K	90.9	Very high	92.6	Very high	128 Å²	128	53.8 Å²	53.8	56%	0.557	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-39.3	179	-60.5	-169.3	-178.6	-174.1	0	114.7	C1131 C1152 N1154 E1157	C1131-K1133 PolarHBondContact O-N 3.07Å; C1131-K1133 VanDerWaalsContact O-N 3.16Å; K1133-C1152 HydrophobicContact CB-CB 4.21Å; K1133-C1152 HydrophobicContact CD-CB 4.35Å; K1133-N1154 HydrophobicContact CD-CB 4.39Å; K1133-E1157 WeakPolarHBondContact CE-OE2 3.4Å; K1133-E1157 WeakPolarHBondContact CG-OE2 3.31Å
1134	C	91.1	Very high	92.6	Very high	14 Å²	14	56.6 Å²	56.6	10%	0.095	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-14.1	-173.1	65.6	0	0	0	0	114.7	C1131 L1136 C1149 C1152 R1182	C1131-C1134 VanDerWaalsContact CB-SG 3.56Å; C1131-C1134 PolarHBondContact O-N 3Å; C1134-L1136 HydrophobicContact CB-CG 4.34Å; C1134-L1136 PolarHBondContact O-N 2.88Å; C1134-C1149 VanDerWaalsContact SG-SG 3.64Å; C1134-C1152 VanDerWaalsContact CB-SG 3.51Å; C1134-R1182 WeakPolarHBondContact O-CB 3.19Å; C1134-R1182 VanDerWaalsContact O-CD 3.32Å; C1134-R1182 WeakPolarHBondContact O-CD 3.39Å; C1134-R1182 WeakPolarHBondContact O-CG 3.44Å; C1134-R1182 PolarHBondContact O-NH1 3.29Å
1135	G	92.1	Very high	92.3	Very high	3 Å²	3	62.1 Å²	62.1	3%	0.031	32%	0.323	C	S	.	.			trans	69	12.5	-177	0	0	0	0	0	115	C1131 M1183	C1131-G1135 WeakPolarHBondContact O-CA 3.41Å; C1131-G1135 PolarHBondContact O-N 3.37Å; G1135-M1183 WeakPolarHBondContact CA-O 3.45Å; G1135-M1183 PolarHBondContact O-N 3.36Å
1136	L	92.9	Very high	92.1	Very high	42 Å²	42	62.5 Å²	62.5	22%	0.22	32%	0.322	C	S	.	.	S	Bend	trans	-99	156.4	178.7	-51.9	178.7	0	0	0	110.3	V1130 C1131 C1134 A1138 M1175 A1180 R1182	V1130-L1136 WeakPolarHBondContact CA-O 3.31Å; C1131-L1136 PolarHBondContact N-O 2.96Å; C1134-L1136 HydrophobicContact CB-CG 4.34Å; C1134-L1136 PolarHBondContact O-N 2.88Å; L1136-A1138 PolarHBondContact O-N 3.24Å; L1136-M1175 HydrophobicContact CB-CE 3.87Å; L1136-M1175 HydrophobicContact CD1-CE 4.17Å; L1136-M1175 HydrophobicContact CD2-CE 3.49Å; L1136-M1175 VanDerWaalsContact CD2-CE 3.49Å; L1136-M1175 HydrophobicContact CG-CE 4.01Å; L1136-A1180 HydrophobicContact CD2-CB 4.29Å; L1136-R1182 HydrophobicContact CD2-CG 4.11Å
1137	V	92.8	Very high	92	Very high	68 Å²	68	61.4 Å²	61.4	41%	0.412	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-63	121.3	176.9	-177	0	0	0	0	109.6	V1128 F1129 M1183	V1128-V1137 HydrophobicContact CB-CG1 4.46Å; F1129-V1137 CarbonylContact O-C 3.6Å; F1129-V1137 WeakPolarHBondContact O-CA 3.45Å; V1137-M1183 HydrophobicContact CG2-CE 4.04Å
1138	A	91.9	Very high	91.9	Very high	12 Å²	12	62 Å²	62	10%	0.099	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-86.5	161.5	179.6	0	0	0	0	0	111.6	F1129 C1131 L1136 A1140 C1149 I1158	F1129-A1138 PolarHBondContact O-N 3.07Å; C1131-A1138 HydrophobicContact CB-CB 4.39Å; L1136-A1138 PolarHBondContact O-N 3.24Å; A1138-A1140 PolarHBondContact O-N 3.02Å; A1138-C1149 HydrophobicContact CB-CB 4.33Å; A1138-I1158 HydrophobicContact CB-CD1 3.97Å; A1138-I1158 HydrophobicContact CB-CG1 4.31Å; A1138-I1158 HydrophobicContact CB-CG2 4.15Å
1139	I	92.6	Very high	91.8	Very high	90 Å²	90	62.1 Å²	62.1	46%	0.462	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	122.3	171.6	-55.8	174.1	0	0	0	107	F1147 E1148 R1150	I1139-F1147 WeakPolarHBondContact O-CA 3.36Å; I1139-E1148 WeakPolarHBondContact CB-O 3.43Å; I1139-E1148 PolarHBondContact N-O 3.42Å; I1139-E1148 PolarHBondContact O-N 3.23Å; I1139-R1150 HydrophobicContact CD1-CG 3.93Å
1140	A	90.7	Very high	91.8	Very high	36 Å²	36	69.4 Å²	69.4	30%	0.298	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	111.2	-177	0	0	0	0	0	110.3	F1129 A1138 F1147	F1129-A1140 HydrophobicContact CB-CB 3.72Å; F1129-A1140 HydrophobicContact CD1-CB 4.33Å; F1129-A1140 HydrophobicContact CD2-CB 3.18Å; F1129-A1140 HydrophobicContact CE2-CB 3.8Å; F1129-A1140 HydrophobicContact CG-CB 3.48Å; F1129-A1140 VanDerWaalsContact CG-CB 3.48Å; A1138-A1140 PolarHBondContact O-N 3.02Å; A1140-F1147 HydrophobicContact CB-CD1 3.58Å; A1140-F1147 HydrophobicContact CB-CE1 3.87Å
1141	N	90.1	Very high	91.4	Very high	72 Å²	72	73.1 Å²	73.1	39%	0.385	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	93.1	167.4	-170.4	-11.5	0	0	0	109.1	R1143 T1144 N1145 N1146	N1141-R1143 PolarHBondContact O-N 3.49Å; N1141-R1143 WeakPolarHBondContact OD1-CB 3.17Å; N1141-R1143 PolarHBondContact OD1-N 2.97Å; N1141-R1143 VanDerWaalsContact OD1-N 3.12Å; N1141-T1144 WeakPolarHBondContact CB-OG1 3.39Å; N1141-T1144 VanDerWaalsContact CG-OG1 3.28Å; N1141-T1144 PolarHBondContact ND2-OG1 3.14Å; N1141-T1144 PolarHBondContact O-N 3.34Å; N1141-N1145 PolarHBondContact O-N 3.06Å; N1141-N1146 PolarHBondContact N-O 2.97Å; N1141-N1146 PolarHBondContact O-N 3.39Å; N1141-N1146 VanDerWaalsContact O-N 3.15Å
1142	V	89.1	Confident	91.2	Very high	87 Å²	87	75.1 Å²	75.1	53%	0.527	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.3	179.9	-174.2	0	0	0	0	111.6	F1129 N1145 F1147	F1129-V1142 HydrophobicContact CE2-CG2 3.65Å; F1129-V1142 HydrophobicContact CZ-CG2 3.76Å; V1142-N1145 PolarHBondContact O-OD1 2.77Å; V1142-F1147 HydrophobicContact CG2-CE1 4.49Å
1143	R	91.6	Very high	91.1	Very high	239 Å²	239	82.4 Å²	82.4	90%	0.902	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-34.5	-179.8	-66	-178.3	67.6	-170.7	0.6	112.7	N1141	N1141-R1143 PolarHBondContact O-N 3.49Å; N1141-R1143 WeakPolarHBondContact OD1-CB 3.17Å; N1141-R1143 PolarHBondContact OD1-N 2.97Å; N1141-R1143 VanDerWaalsContact OD1-N 3.12Å
1144	T	92.9	Very high	91	Very high	89 Å²	89	76.5 Å²	76.5	55%	0.546	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	4.1	-179.4	62.9	0	0	0	0	112.7	N1141 N1146	N1141-T1144 WeakPolarHBondContact CB-OG1 3.39Å; N1141-T1144 VanDerWaalsContact CG-OG1 3.28Å; N1141-T1144 PolarHBondContact ND2-OG1 3.14Å; N1141-T1144 PolarHBondContact O-N 3.34Å; T1144-N1146 PolarHBondContact O-N 2.89Å; T1144-N1146 VanDerWaalsContact O-N 3.08Å; T1144-N1146 WeakPolarHBondContact OG1-CB 3.42Å
1145	N	87.5	Confident	91	Very high	123 Å²	123	82 Å²	82	66%	0.658	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	31.1	-168.8	-69	-35.2	0	0	0	113.7	N1141 V1142 F1147	N1141-N1145 PolarHBondContact O-N 3.06Å; V1142-N1145 PolarHBondContact O-OD1 2.77Å; N1145-F1147 HydrophobicContact CB-CE2 4.47Å
1146	N	91.1	Very high	90.8	Very high	80 Å²	80	87.7 Å²	87.7	43%	0.428	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.9	178	-172.4	13.3	0	0	0	108.9	N1141 T1144	N1141-N1146 PolarHBondContact N-O 2.97Å; N1141-N1146 PolarHBondContact O-N 3.39Å; N1141-N1146 VanDerWaalsContact O-N 3.15Å; T1144-N1146 PolarHBondContact O-N 2.89Å; T1144-N1146 VanDerWaalsContact O-N 3.08Å; T1144-N1146 WeakPolarHBondContact OG1-CB 3.42Å
1147	F	93	Very high	90.6	Very high	46 Å²	46	89.7 Å²	89.7	20%	0.202	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.2	176.7	-53.1	-76.8	0	0	0	108.1	F1129 I1139 A1140 V1142 N1145 K1155 I1158	F1129-F1147 AromaticContact CD1-CD1 3.94Å; F1129-F1147 HydrophobicContact CD1-CD1 3.94Å; F1129-F1147 AromaticContact CD1-CE1 3.71Å; F1129-F1147 HydrophobicContact CD1-CE1 3.71Å; F1129-F1147 HydrophobicContact CD2-CE1 4.49Å; F1129-F1147 HydrophobicContact CE1-CD1 4.14Å; F1129-F1147 AromaticContact CE1-CE1 3.43Å; F1129-F1147 HydrophobicContact CE1-CE1 3.43Å; F1129-F1147 VanDerWaalsContact CE1-CE1 3.43Å; F1129-F1147 AromaticContact CE1-CZ 3.96Å; F1129-F1147 HydrophobicContact CE1-CZ 3.96Å; F1129-F1147 HydrophobicContact CE2-CE1 4.26Å; F1129-F1147 HydrophobicContact CG-CD1 4.29Å; F1129-F1147 HydrophobicContact CG-CE1 4.23Å; F1129-F1147 AromaticContact CZ-CE1 3.73Å; F1129-F1147 HydrophobicContact CZ-CE1 3.73Å; F1129-F1147 HydrophobicContact CZ-CZ 4.32Å; I1139-F1147 WeakPolarHBondContact O-CA 3.36Å; A1140-F1147 HydrophobicContact CB-CD1 3.58Å; A1140-F1147 HydrophobicContact CB-CE1 3.87Å; V1142-F1147 HydrophobicContact CG2-CE1 4.49Å; N1145-F1147 HydrophobicContact CB-CE2 4.47Å; F1147-K1155 VanDerWaalsContact O-CA 3.31Å; F1147-K1155 WeakPolarHBondContact O-CA 3.48Å; F1147-I1158 VanDerWaalsContact C-CD1 3.45Å; F1147-I1158 HydrophobicContact CB-CB 4.26Å; F1147-I1158 HydrophobicContact CB-CD1 3.44Å; F1147-I1158 VanDerWaalsContact CB-CD1 3.44Å; F1147-I1158 HydrophobicContact CB-CG1 4.4Å; F1147-I1158 HydrophobicContact CB-CG2 4.29Å
1148	E	92.7	Very high	90.5	Very high	57 Å²	57	87.8 Å²	87.8	27%	0.266	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	128.7	-176.8	-173.3	-178.3	152.3	0	0	110.8	I1139 K1155	I1139-E1148 WeakPolarHBondContact CB-O 3.43Å; I1139-E1148 PolarHBondContact N-O 3.42Å; I1139-E1148 PolarHBondContact O-N 3.23Å; E1148-K1155 HydrophobicContact CB-CG 4.49Å; E1148-K1155 HydrophobicContact CG-CG 4.25Å
1149	C	92.6	Very high	90.6	Very high	11 Å²	11	89.3 Å²	89.3	7%	0.074	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-100.9	106.4	164.3	-179.5	0	0	0	0	109.3	C1131 C1134 A1138 G1151 C1152 R1153 N1154	C1131-C1149 HydrophobicContact CB-CB 3.64Å; C1131-C1149 VanDerWaalsContact SG-CB 3.55Å; C1131-C1149 VanDerWaalsContact SG-SG 3.63Å; C1134-C1149 VanDerWaalsContact SG-SG 3.64Å; A1138-C1149 HydrophobicContact CB-CB 4.33Å; C1149-G1151 VanDerWaalsContact C-N 3.3Å; C1149-G1151 PolarHBondContact O-N 2.92Å; C1149-C1152 HydrophobicContact CB-CB 4.47Å; C1149-C1152 PolarHBondContact O-N 3.34Å; C1149-R1153 VanDerWaalsContact O-CA 3.31Å; C1149-R1153 WeakPolarHBondContact O-CA 3.16Å; C1149-R1153 PolarHBondContact O-N 3.43Å; C1149-N1154 HydrophobicContact CB-CB 4.33Å; C1149-N1154 PolarHBondContact N-O 2.91Å; C1149-N1154 PolarHBondContact O-N 2.95Å
1150	R	91.7	Very high	90.6	Very high	188 Å²	188	93.1 Å²	93.1	71%	0.709	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-38.8	-179.4	-70.3	-175.3	176.5	-179.6	0.4	113	I1139	I1139-R1150 HydrophobicContact CD1-CG 3.93Å
1151	G	87.1	Confident	90.8	Very high	78 Å²	78	93 Å²	93	80%	0.804	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-38.4	-178.7	0	0	0	0	0	113.7	C1149	C1149-G1151 VanDerWaalsContact C-N 3.3Å; C1149-G1151 PolarHBondContact O-N 2.92Å
1152	C	89.6	Confident	91	Very high	42 Å²	42	96.4 Å²	96.4	28%	0.284	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-4.6	180	-65.4	0	0	0	0	114.1	K1133 C1134 C1149 N1154	K1133-C1152 HydrophobicContact CB-CB 4.21Å; K1133-C1152 HydrophobicContact CD-CB 4.35Å; C1134-C1152 VanDerWaalsContact CB-SG 3.51Å; C1149-C1152 HydrophobicContact CB-CB 4.47Å; C1149-C1152 PolarHBondContact O-N 3.34Å; C1152-N1154 HydrophobicContact CB-CB 3.92Å; C1152-N1154 PolarHBondContact O-N 3.21Å; C1152-N1154 VanDerWaalsContact O-N 3.13Å
1153	R	89.8	Confident	91.2	Very high	225 Å²	225	93 Å²	93	85%	0.849	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	33.1	-167	-58.2	-178.9	-177.9	-179.5	0.3	112.7	C1149	C1149-R1153 VanDerWaalsContact O-CA 3.31Å; C1149-R1153 WeakPolarHBondContact O-CA 3.16Å; C1149-R1153 PolarHBondContact O-N 3.43Å
1154	N	89.2	Confident	91.5	Very high	5 Å²	5	83.4 Å²	83.4	3%	0.027	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-96.2	129.4	-176	179.8	22.8	0	0	0	109.7	C1131 K1133 C1149 C1152 T1156 E1157	C1131-N1154 PolarHBondContact SG-ND2 3.34Å; K1133-N1154 HydrophobicContact CD-CB 4.39Å; C1149-N1154 HydrophobicContact CB-CB 4.33Å; C1149-N1154 PolarHBondContact N-O 2.91Å; C1149-N1154 PolarHBondContact O-N 2.95Å; C1152-N1154 HydrophobicContact CB-CB 3.92Å; C1152-N1154 PolarHBondContact O-N 3.21Å; C1152-N1154 VanDerWaalsContact O-N 3.13Å; N1154-T1156 PolarHBondContact OD1-N 3.08Å; N1154-E1157 WeakPolarHBondContact ND2-CB 3.33Å; N1154-E1157 PolarHBondContact ND2-O 3.19Å; N1154-E1157 PolarHBondContact OD1-N 3.34Å; N1154-E1157 VanDerWaalsContact OD1-N 3.11Å
1155	K	89.2	Confident	91.6	Very high	129 Å²	129	80.4 Å²	80.4	56%	0.561	39%	0.392	S	S	*	.	S	Bend	trans	-118.7	-13.8	179.1	-66.1	-174	176.3	-175.6	0	113.9	F1147 E1148	F1147-K1155 VanDerWaalsContact O-CA 3.31Å; F1147-K1155 WeakPolarHBondContact O-CA 3.48Å; E1148-K1155 HydrophobicContact CB-CG 4.49Å; E1148-K1155 HydrophobicContact CG-CG 4.25Å
1156	T	88.1	Confident	92	Very high	122 Å²	122	76.2 Å²	76.2	75%	0.748	37%	0.374	S	S	*	.	S	Bend	trans	-107.1	-46.4	-172	48.2	0	0	0	0	112	N1154 I1158	N1154-T1156 PolarHBondContact OD1-N 3.08Å; T1156-I1158 VanDerWaalsContact C-N 3.35Å; T1156-I1158 PolarHBondContact O-N 3.3Å
1157	E	89.8	Confident	92.3	Very high	85 Å²	85	74.4 Å²	74.4	40%	0.397	37%	0.367	S	S	.	.			trans	-89.5	68.8	-173.5	-49.7	162.5	-175.1	0	0	111.3	N1132 K1133 N1154	N1132-E1157 HydrophobicContact CB-CB 4.01Å; N1132-E1157 PolarHBondContact N-O 2.95Å; K1133-E1157 WeakPolarHBondContact CE-OE2 3.4Å; K1133-E1157 WeakPolarHBondContact CG-OE2 3.31Å; N1154-E1157 WeakPolarHBondContact ND2-CB 3.33Å; N1154-E1157 PolarHBondContact ND2-O 3.19Å; N1154-E1157 PolarHBondContact OD1-N 3.34Å; N1154-E1157 VanDerWaalsContact OD1-N 3.11Å
1158	I	91.2	Very high	92.4	Very high	28 Å²	28	73.5 Å²	73.5	14%	0.144	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.5	178.3	-66.1	172	0	0	0	109.3	F1129 V1130 A1138 F1147 T1156	F1129-I1158 HydrophobicContact CB-CG2 3.74Å; F1129-I1158 HydrophobicContact CD1-CG2 4.25Å; F1129-I1158 HydrophobicContact CG-CG2 4.48Å; V1130-I1158 CarbonylContact O-C 3.56Å; V1130-I1158 WeakPolarHBondContact O-CA 3.24Å; A1138-I1158 HydrophobicContact CB-CD1 3.97Å; A1138-I1158 HydrophobicContact CB-CG1 4.31Å; A1138-I1158 HydrophobicContact CB-CG2 4.15Å; F1147-I1158 VanDerWaalsContact C-CD1 3.45Å; F1147-I1158 HydrophobicContact CB-CB 4.26Å; F1147-I1158 HydrophobicContact CB-CD1 3.44Å; F1147-I1158 VanDerWaalsContact CB-CD1 3.44Å; F1147-I1158 HydrophobicContact CB-CG1 4.4Å; F1147-I1158 HydrophobicContact CB-CG2 4.29Å; T1156-I1158 VanDerWaalsContact C-N 3.35Å; T1156-I1158 PolarHBondContact O-N 3.3Å
1159	T	92.8	Very high	92.6	Very high	44 Å²	44	72.7 Å²	72.7	27%	0.27	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139.5	-177.4	-56.5	0	0	0	0	111.2	F1129 V1130 N1132 I1185	F1129-T1159 CarbonylContact C-O 3.57Å; F1129-T1159 WeakPolarHBondContact CA-O 3.42Å; V1130-T1159 PolarHBondContact N-O 3Å; V1130-T1159 PolarHBondContact O-N 3.18Å; N1132-T1159 VanDerWaalsContact CG-OG1 3.31Å; N1132-T1159 PolarHBondContact ND2-OG1 3.4Å; N1132-T1159 WeakPolarHBondContact OD1-CB 3.31Å; N1132-T1159 PolarHBondContact OD1-N 3.36Å; N1132-T1159 PolarHBondContact OD1-OG1 3.45Å; T1159-I1185 HydrophobicContact CG2-CG2 3.86Å
1160	R	93.2	Very high	92.7	Very high	170 Å²	170	76.7 Å²	76.7	64%	0.642	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	122	174.8	-177.1	-176.2	176.9	179.5	3.4	109.9	V1127 F1129	V1127-R1160 HydrophobicContact CG1-CG 3.52Å; F1129-R1160 HydrophobicContact CD1-CB 4.2Å; F1129-R1160 HydrophobicContact CE1-CB 4.02Å; F1129-R1160 HydrophobicContact CE1-CG 4.12Å; F1129-R1160 HydrophobicContact CZ-CG 4.39Å
1161	V	94	Very high	92.9	Very high	32 Å²	32	69.8 Å²	69.8	19%	0.194	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.5	179.4	-179.8	0	0	0	0	111.1	V1127 V1128 V1130 I1185	V1127-V1161 WeakPolarHBondContact CA-O 3.43Å; V1128-V1161 HydrophobicContact CG2-CB 4.08Å; V1128-V1161 PolarHBondContact N-O 2.64Å; V1128-V1161 PolarHBondContact O-N 2.68Å; V1130-V1161 HydrophobicContact CG2-CB 4.36Å; V1130-V1161 HydrophobicContact CG2-CG2 3.99Å; V1161-I1185 HydrophobicContact CG2-CD1 3.3Å; V1161-I1185 HydrophobicContact CG2-CG1 4.09Å
1162	R	94.9	Very high	93.4	Very high	145 Å²	145	70.4 Å²	70.4	55%	0.547	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.3	170.7	-75.4	-174.3	74.1	-169.1	-7.9	108.7	F1120 E1121 Y1126 V1127	F1120-R1162 HydrophobicContact CE1-CB 4.1Å; F1120-R1162 HydrophobicContact CZ-CB 3.81Å; E1121-R1162 IonicContact OE1-CZ 2.74Å; E1121-R1162 IonicContact OE1-NH1 3.83Å; E1121-R1162 IonicContact OE1-NH2 3.38Å; E1121-R1162 PolarHBondContact OE1-NH2 2.99Å; Y1126-R1162 WeakPolarHBondContact O-CA 3.36Å; V1127-R1162 HydrophobicContact CG2-CG 4.25Å
1163	M	94	Very high	93.7	Very high	14 Å²	14	73.2 Å²	73.2	7%	0.069	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154	179	67.6	-175.8	-59	0	0	110.2	F1120 Y1126 V1128 C1167 K1168 F1171 M1183	F1120-M1163 VanDerWaalsContact CE2-O 3.28Å; F1120-M1163 WeakPolarHBondContact CE2-O 3.26Å; Y1126-M1163 CarbonylContact C-O 3.54Å; Y1126-M1163 WeakPolarHBondContact CA-O 3.29Å; Y1126-M1163 WeakPolarHBondContact CB-O 3.49Å; Y1126-M1163 PolarHBondContact N-O 2.87Å; Y1126-M1163 PolarHBondContact O-N 3.1Å; V1128-M1163 HydrophobicContact CB-SD 4.45Å; V1128-M1163 HydrophobicContact CG1-CG 4.47Å; V1128-M1163 HydrophobicContact CG1-SD 4.13Å; V1128-M1163 HydrophobicContact CG2-CG 4.02Å; V1128-M1163 HydrophobicContact CG2-SD 3.46Å; V1128-M1163 WeakPolarHBondContact CG2-SD 3.46Å; M1163-C1167 HydrophobicContact CE-CB 3.69Å; M1163-C1167 WeakPolarHBondContact CE-SG 3.47Å; M1163-K1168 HydrophobicContact CE-CB 4.25Å; M1163-K1168 HydrophobicContact SD-CB 4.14Å; M1163-F1171 HydrophobicContact CE-CD2 3.72Å; M1163-F1171 HydrophobicContact CE-CE2 3.59Å; M1163-F1171 HydrophobicContact CE-CZ 4.39Å; M1163-M1183 HydrophobicContact SD-SD 4.35Å
1164	P	96.2	Very high	94.1	Very high	39 Å²	39	64.5 Å²	64.5	25%	0.253	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	141.1	174	-21.8	31.2	0	0	0	111.2	F1120 D1124 A1166 C1167 K1168	F1120-P1164 HydrophobicContact CB-CG 4.39Å; F1120-P1164 HydrophobicContact CD2-CB 4.12Å; F1120-P1164 HydrophobicContact CD2-CG 3.68Å; F1120-P1164 HydrophobicContact CE2-CG 4.38Å; F1120-P1164 HydrophobicContact CG-CG 4.33Å; D1124-P1164 WeakPolarHBondContact OD2-CB 3.49Å; P1164-A1166 PolarHBondContact O-N 2.93Å; P1164-C1167 HydrophobicContact CB-CB 4.15Å; P1164-C1167 HydrophobicContact CG-CB 4.36Å; P1164-C1167 WeakPolarHBondContact O-CB 3.36Å; P1164-C1167 PolarHBondContact O-N 2.66Å; P1164-K1168 PolarHBondContact O-N 2.83Å
1165	Y	96.7	Very high	94.4	Very high	25 Å²	25	67.6 Å²	67.6	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-59.1	-37.7	174.7	-171.8	-91.5	0	0	0	111.4	M1082 A1083 R1084 D1124 Y1126 C1167 K1168 L1169	M1082-Y1165 WeakPolarHBondContact O-CE1 3.43Å; A1083-Y1165 VanDerWaalsContact O-CD1 3.26Å; A1083-Y1165 WeakPolarHBondContact O-CD1 3.16Å; R1084-Y1165 HydrophobicContact CB-CD1 4.07Å; R1084-Y1165 HydrophobicContact CB-CG 4.23Å; R1084-Y1165 HydrophobicContact CG-CD1 3.96Å; R1084-Y1165 HydrophobicContact CG-CE1 3.94Å; R1084-Y1165 HydrophobicContact CG-CE2 4.5Å; R1084-Y1165 HydrophobicContact CG-CG 4.24Å; D1124-Y1165 PolarHBondContact O-N 2.92Å; D1124-Y1165 PolarHBondContact OD2-N 3.22Å; Y1126-Y1165 AromaticContact CD1-CD2 3.82Å; Y1126-Y1165 HydrophobicContact CD1-CD2 3.82Å; Y1126-Y1165 HydrophobicContact CD1-CE2 4.49Å; Y1126-Y1165 AromaticContact CD2-CD2 3.68Å; Y1126-Y1165 HydrophobicContact CD2-CD2 3.68Å; Y1126-Y1165 HydrophobicContact CD2-CE2 4.38Å; Y1126-Y1165 HydrophobicContact CE1-CD2 4.02Å; Y1126-Y1165 HydrophobicContact CE1-CE2 4.24Å; Y1126-Y1165 AromaticContact CE2-CD2 3.88Å; Y1126-Y1165 HydrophobicContact CE2-CD2 3.88Å; Y1126-Y1165 HydrophobicContact CE2-CE2 4.12Å; Y1126-Y1165 AromaticContact CG-CD2 3.65Å; Y1126-Y1165 HydrophobicContact CG-CD2 3.65Å; Y1126-Y1165 HydrophobicContact CG-CG 4.46Å; Y1165-C1167 PolarHBondContact O-N 3.02Å; Y1165-K1168 HydrophobicContact CD2-CD 4.37Å; Y1165-K1168 HydrophobicContact CE2-CD 4.07Å; Y1165-K1168 WeakPolarHBondContact O-CB 3.32Å; Y1165-K1168 PolarHBondContact O-N 3.14Å; Y1165-K1168 VanDerWaalsContact O-N 3.12Å; Y1165-K1168 PolarHBondContact OH-NZ 3.21Å; Y1165-L1169 PolarHBondContact O-N 3.16Å
1166	A	96	Very high	94.7	Very high	36 Å²	36	65.3 Å²	65.3	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-36.9	174.4	0	0	0	0	0	112.3	D1124 P1164 L1169 L1170	D1124-A1166 PolarHBondContact OD2-N 3.09Å; P1164-A1166 PolarHBondContact O-N 2.93Å; A1166-L1169 PolarHBondContact O-N 2.82Å; A1166-L1170 PolarHBondContact O-N 3.36Å
1167	C	95.7	Very high	95.2	Very high	41 Å²	41	65 Å²	65	28%	0.277	32%	0.324	S	S	.	.	H	α-helix	trans	-71.7	-38.4	175.6	-173.3	0	0	0	0	111.8	M1163 P1164 Y1165 L1169 L1170 F1171	M1163-C1167 HydrophobicContact CE-CB 3.69Å; M1163-C1167 WeakPolarHBondContact CE-SG 3.47Å; P1164-C1167 HydrophobicContact CB-CB 4.15Å; P1164-C1167 HydrophobicContact CG-CB 4.36Å; P1164-C1167 WeakPolarHBondContact O-CB 3.36Å; P1164-C1167 PolarHBondContact O-N 2.66Å; Y1165-C1167 PolarHBondContact O-N 3.02Å; C1167-L1169 VanDerWaalsContact C-N 3.29Å; C1167-L1169 PolarHBondContact O-N 3.46Å; C1167-L1170 WeakPolarHBondContact O-CB 3.33Å; C1167-L1170 PolarHBondContact O-N 2.99Å; C1167-F1171 PolarHBondContact O-N 3.33Å
1168	K	95.4	Very high	95.4	Very high	27 Å²	27	66.9 Å²	66.9	12%	0.117	35%	0.345	C	S	.	.	H	α-helix	trans	-60.8	-41.1	171.8	171.4	-88.5	-173	-177.4	0	111	Y1126 V1128 M1163 P1164 Y1165 F1171 Q1172	Y1126-K1168 HydrophobicContact CD1-CB 4.42Å; Y1126-K1168 HydrophobicContact CD1-CG 4.36Å; Y1126-K1168 HydrophobicContact CE1-CD 4.41Å; Y1126-K1168 HydrophobicContact CE1-CG 4.25Å; V1128-K1168 HydrophobicContact CG1-CB 4.4Å; V1128-K1168 HydrophobicContact CG1-CG 3.97Å; M1163-K1168 HydrophobicContact CE-CB 4.25Å; M1163-K1168 HydrophobicContact SD-CB 4.14Å; P1164-K1168 PolarHBondContact O-N 2.83Å; Y1165-K1168 HydrophobicContact CD2-CD 4.37Å; Y1165-K1168 HydrophobicContact CE2-CD 4.07Å; Y1165-K1168 WeakPolarHBondContact O-CB 3.32Å; Y1165-K1168 PolarHBondContact O-N 3.14Å; Y1165-K1168 VanDerWaalsContact O-N 3.12Å; Y1165-K1168 PolarHBondContact OH-NZ 3.21Å; K1168-F1171 PolarHBondContact O-N 2.86Å; K1168-Q1172 VanDerWaalsContact CE-CD 3.44Å; K1168-Q1172 VanDerWaalsContact CE-OE1 3.29Å; K1168-Q1172 VanDerWaalsContact NZ-CD 3.26Å; K1168-Q1172 WeakPolarHBondContact O-CG 3.13Å; K1168-Q1172 PolarHBondContact O-N 3.27Å; K1168-Q1172 VanDerWaalsContact O-N 3.14Å
1169	L	96.5	Very high	95.7	Very high	41 Å²	41	69.9 Å²	69.9	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-63	-45.9	176.3	-176.4	63.5	0	0	0	110.6	Y1165 A1166 C1167 F1171 Q1172 E1173	Y1165-L1169 PolarHBondContact O-N 3.16Å; A1166-L1169 PolarHBondContact O-N 2.82Å; C1167-L1169 VanDerWaalsContact C-N 3.29Å; C1167-L1169 PolarHBondContact O-N 3.46Å; L1169-F1171 VanDerWaalsContact C-N 3.29Å; L1169-F1171 PolarHBondContact O-N 3.34Å; L1169-Q1172 WeakPolarHBondContact O-CA 3.44Å; L1169-Q1172 WeakPolarHBondContact O-CB 3.46Å; L1169-Q1172 PolarHBondContact O-N 3.1Å; L1169-E1173 WeakPolarHBondContact O-CG 2.99Å; L1169-E1173 PolarHBondContact O-N 3.44Å
1170	L	96.6	Very high	95.7	Very high	94 Å²	94	70.2 Å²	70.2	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-53.9	-44.2	173.9	176.2	65	0	0	0	112.2	A1166 C1167 Q1172 E1173 L1174	A1166-L1170 PolarHBondContact O-N 3.36Å; C1167-L1170 WeakPolarHBondContact O-CB 3.33Å; C1167-L1170 PolarHBondContact O-N 2.99Å; L1170-Q1172 VanDerWaalsContact C-N 3.32Å; L1170-Q1172 PolarHBondContact O-N 3.36Å; L1170-E1173 PolarHBondContact O-N 3.22Å; L1170-L1174 HydrophobicContact CD1-CG 4.36Å; L1170-L1174 HydrophobicContact CG-CD1 4.32Å; L1170-L1174 WeakPolarHBondContact O-CG 3.34Å; L1170-L1174 PolarHBondContact O-N 2.84Å
1171	F	95.8	Very high	95.7	Very high	44 Å²	44	63.3 Å²	63.3	19%	0.193	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-35.8	176.8	-72.7	-7.7	0	0	0	113	M1163 C1167 K1168 L1169 L1174 M1175 P1181 M1183	M1163-F1171 HydrophobicContact CE-CD2 3.72Å; M1163-F1171 HydrophobicContact CE-CE2 3.59Å; M1163-F1171 HydrophobicContact CE-CZ 4.39Å; C1167-F1171 PolarHBondContact O-N 3.33Å; K1168-F1171 PolarHBondContact O-N 2.86Å; L1169-F1171 VanDerWaalsContact C-N 3.29Å; L1169-F1171 PolarHBondContact O-N 3.34Å; F1171-L1174 HydrophobicContact CD1-CD1 4.29Å; F1171-M1175 WeakPolarHBondContact O-CB 3.11Å; F1171-M1175 WeakPolarHBondContact O-CG 3.4Å; F1171-M1175 PolarHBondContact O-N 2.82Å; F1171-P1181 HydrophobicContact CB-CG 3.91Å; F1171-P1181 HydrophobicContact CD1-CB 3.84Å; F1171-P1181 HydrophobicContact CD1-CG 3.74Å; F1171-P1181 HydrophobicContact CE1-CB 4.02Å; F1171-P1181 HydrophobicContact CE1-CG 4.41Å; F1171-P1181 HydrophobicContact CG-CB 4.3Å; F1171-P1181 HydrophobicContact CG-CG 3.85Å; F1171-M1183 HydrophobicContact CD2-CE 4.07Å; F1171-M1183 HydrophobicContact CD2-CG 4.42Å; F1171-M1183 HydrophobicContact CD2-SD 4.13Å; F1171-M1183 HydrophobicContact CE2-CE 4.08Å; F1171-M1183 HydrophobicContact CE2-CG 3.59Å; F1171-M1183 HydrophobicContact CE2-SD 3.55Å; F1171-M1183 VanDerWaalsContact CE2-SD 3.55Å; F1171-M1183 HydrophobicContact CZ-CG 4.23Å
1172	Q	95.9	Very high	95.6	Very high	90 Å²	90	68.9 Å²	68.9	42%	0.421	36%	0.362	S	S	.	.	H	α-helix	trans	-68.1	-40.1	173.8	-68.4	-175.3	-47.7	0	0	112.2	K1168 L1169 L1170 M1175 S1176	K1168-Q1172 VanDerWaalsContact CE-CD 3.44Å; K1168-Q1172 VanDerWaalsContact CE-OE1 3.29Å; K1168-Q1172 VanDerWaalsContact NZ-CD 3.26Å; K1168-Q1172 WeakPolarHBondContact O-CG 3.13Å; K1168-Q1172 PolarHBondContact O-N 3.27Å; K1168-Q1172 VanDerWaalsContact O-N 3.14Å; L1169-Q1172 WeakPolarHBondContact O-CA 3.44Å; L1169-Q1172 WeakPolarHBondContact O-CB 3.46Å; L1169-Q1172 PolarHBondContact O-N 3.1Å; L1170-Q1172 VanDerWaalsContact C-N 3.32Å; L1170-Q1172 PolarHBondContact O-N 3.36Å; Q1172-M1175 WeakPolarHBondContact O-CB 3.34Å; Q1172-M1175 PolarHBondContact O-N 3.14Å; Q1172-S1176 PolarHBondContact O-N 3.2Å
1173	E	97.1	Very high	95.4	Very high	102 Å²	102	63.4 Å²	63.4	48%	0.477	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-44.5	174.8	-67.3	-62.2	161	0	0	111.1	L1169 L1170 M1175 S1176 M1177	L1169-E1173 WeakPolarHBondContact O-CG 2.99Å; L1169-E1173 PolarHBondContact O-N 3.44Å; L1170-E1173 PolarHBondContact O-N 3.22Å; E1173-M1175 PolarHBondContact O-N 3.33Å; E1173-S1176 WeakPolarHBondContact O-CB 3.16Å; E1173-S1176 PolarHBondContact O-N 2.81Å; E1173-S1176 PolarHBondContact O-OG 2.93Å; E1173-M1177 PolarHBondContact O-N 3.46Å; E1173-M1177 VanDerWaalsContact O-N 3.14Å
1174	L	97.3	Very high	94.9	Very high	41 Å²	41	69.6 Å²	69.6	22%	0.215	38%	0.381	C	S	.	.	H	α-helix	trans	-59.5	-45.6	173.1	-70.7	176.4	0	0	0	111.7	L1170 F1171 S1176 M1177 C1178 I1179 P1181	L1170-L1174 HydrophobicContact CD1-CG 4.36Å; L1170-L1174 HydrophobicContact CG-CD1 4.32Å; L1170-L1174 WeakPolarHBondContact O-CG 3.34Å; L1170-L1174 PolarHBondContact O-N 2.84Å; F1171-L1174 HydrophobicContact CD1-CD1 4.29Å; L1174-S1176 VanDerWaalsContact C-N 3.29Å; L1174-S1176 PolarHBondContact O-N 3.41Å; L1174-M1177 HydrophobicContact CD2-CE 3.72Å; L1174-M1177 CarbonylContact O-C 3.55Å; L1174-M1177 WeakPolarHBondContact O-CA 3.39Å; L1174-M1177 WeakPolarHBondContact O-CB 3.08Å; L1174-M1177 PolarHBondContact O-N 3.13Å; L1174-M1177 VanDerWaalsContact O-N 3.07Å; L1174-C1178 PolarHBondContact O-N 2.73Å; L1174-I1179 CarbonylContact C-O 3.45Å; L1174-I1179 HydrophobicContact CB-CB 4.3Å; L1174-I1179 HydrophobicContact CB-CG2 4.41Å; L1174-I1179 HydrophobicContact CD2-CD1 4.26Å; L1174-I1179 HydrophobicContact CD2-CG2 4.48Å; L1174-I1179 WeakPolarHBondContact O-CB 3.37Å; L1174-I1179 PolarHBondContact O-N 2.74Å; L1174-P1181 HydrophobicContact CB-CG 4.1Å; L1174-P1181 HydrophobicContact CD1-CB 4.19Å; L1174-P1181 HydrophobicContact CD1-CG 4.15Å
1175	M	95.3	Very high	93.5	Very high	70 Å²	70	73.5 Å²	73.5	35%	0.345	40%	0.399	S	S	.	.	H	α-helix	trans	-60.2	-37.3	175.5	-76.3	173.9	148.8	0	0	112.4	L1136 F1171 Q1172 E1173 M1177 C1178 I1179	L1136-M1175 HydrophobicContact CB-CE 3.87Å; L1136-M1175 HydrophobicContact CD1-CE 4.17Å; L1136-M1175 HydrophobicContact CD2-CE 3.49Å; L1136-M1175 VanDerWaalsContact CD2-CE 3.49Å; L1136-M1175 HydrophobicContact CG-CE 4.01Å; F1171-M1175 WeakPolarHBondContact O-CB 3.11Å; F1171-M1175 WeakPolarHBondContact O-CG 3.4Å; F1171-M1175 PolarHBondContact O-N 2.82Å; Q1172-M1175 WeakPolarHBondContact O-CB 3.34Å; Q1172-M1175 PolarHBondContact O-N 3.14Å; E1173-M1175 PolarHBondContact O-N 3.33Å; M1175-M1177 PolarHBondContact O-N 3.43Å; M1175-C1178 WeakPolarHBondContact O-CA 3.49Å; M1175-C1178 PolarHBondContact O-N 3.27Å; M1175-I1179 VanDerWaalsContact CA-O 3.23Å; M1175-I1179 WeakPolarHBondContact CA-O 3.32Å; M1175-I1179 PolarHBondContact N-O 3.09Å
1176	S	97.1	Very high	93.3	Very high	81 Å²	81	75.9 Å²	75.9	57%	0.566	41%	0.414	S	S	*	.	H	α-helix	trans	-64.5	-31.2	175.9	83.1	0	0	0	0	112.2	Q1172 E1173 L1174 C1178	Q1172-S1176 PolarHBondContact O-N 3.2Å; E1173-S1176 WeakPolarHBondContact O-CB 3.16Å; E1173-S1176 PolarHBondContact O-N 2.81Å; E1173-S1176 PolarHBondContact O-OG 2.93Å; L1174-S1176 VanDerWaalsContact C-N 3.29Å; L1174-S1176 PolarHBondContact O-N 3.41Å; S1176-C1178 PolarHBondContact O-N 3.36Å
1177	M	96.9	Very high	93.2	Very high	117 Å²	117	78 Å²	78	58%	0.576	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	12.7	171.3	-63.9	-173.6	-71.2	0	0	113.2	E1173 L1174 M1175 I1179	E1173-M1177 PolarHBondContact O-N 3.46Å; E1173-M1177 VanDerWaalsContact O-N 3.14Å; L1174-M1177 HydrophobicContact CD2-CE 3.72Å; L1174-M1177 CarbonylContact O-C 3.55Å; L1174-M1177 WeakPolarHBondContact O-CA 3.39Å; L1174-M1177 WeakPolarHBondContact O-CB 3.08Å; L1174-M1177 PolarHBondContact O-N 3.13Å; L1174-M1177 VanDerWaalsContact O-N 3.07Å; M1175-M1177 PolarHBondContact O-N 3.43Å; M1177-I1179 HydrophobicContact CB-CD1 4.43Å; M1177-I1179 PolarHBondContact O-N 3.46Å
1178	C	95.5	Very high	93	Very high	123 Å²	123	80.1 Å²	80.1	83%	0.831	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	16.4	-176.2	-58	0	0	0	0	114.6	L1174 M1175 S1176	L1174-C1178 PolarHBondContact O-N 2.73Å; M1175-C1178 WeakPolarHBondContact O-CA 3.49Å; M1175-C1178 PolarHBondContact O-N 3.27Å; S1176-C1178 PolarHBondContact O-N 3.36Å
1179	I	96.2	Very high	92.9	Very high	91 Å²	91	83.2 Å²	83.2	47%	0.467	45%	0.446	S	S	.	.			trans	-90.7	119.4	170.5	-62	168.9	0	0	0	106.5	L1174 M1175 M1177 P1181	L1174-I1179 CarbonylContact C-O 3.45Å; L1174-I1179 HydrophobicContact CB-CB 4.3Å; L1174-I1179 HydrophobicContact CB-CG2 4.41Å; L1174-I1179 HydrophobicContact CD2-CD1 4.26Å; L1174-I1179 HydrophobicContact CD2-CG2 4.48Å; L1174-I1179 WeakPolarHBondContact O-CB 3.37Å; L1174-I1179 PolarHBondContact O-N 2.74Å; M1175-I1179 VanDerWaalsContact CA-O 3.23Å; M1175-I1179 WeakPolarHBondContact CA-O 3.32Å; M1175-I1179 PolarHBondContact N-O 3.09Å; M1177-I1179 HydrophobicContact CB-CD1 4.43Å; M1177-I1179 PolarHBondContact O-N 3.46Å; I1179-P1181 WeakPolarHBondContact O-CD 3.37Å
1180	A	92.7	Very high	92.7	Very high	52 Å²	52	85.8 Å²	85.8	43%	0.43	46%	0.461	S	S	.	.			trans	-95.7	91.5	179.3	0	0	0	0	0	110.9	L1136 R1182	L1136-A1180 HydrophobicContact CD2-CB 4.29Å; A1180-R1182 PolarHBondContact O-N 3.43Å; A1180-R1182 VanDerWaalsContact O-N 3.07Å
1181	P	93.7	Very high	92.4	Very high	25 Å²	25	85.3 Å²	85.3	16%	0.162	46%	0.459	C	S	.	.			trans	-71.1	103.9	175.4	30.1	-35.7	0	0	0	109.4	F1171 L1174 I1179	F1171-P1181 HydrophobicContact CB-CG 3.91Å; F1171-P1181 HydrophobicContact CD1-CB 3.84Å; F1171-P1181 HydrophobicContact CD1-CG 3.74Å; F1171-P1181 HydrophobicContact CE1-CB 4.02Å; F1171-P1181 HydrophobicContact CE1-CG 4.41Å; F1171-P1181 HydrophobicContact CG-CB 4.3Å; F1171-P1181 HydrophobicContact CG-CG 3.85Å; L1174-P1181 HydrophobicContact CB-CG 4.1Å; L1174-P1181 HydrophobicContact CD1-CB 4.19Å; L1174-P1181 HydrophobicContact CD1-CG 4.15Å; I1179-P1181 WeakPolarHBondContact O-CD 3.37Å
1182	R	92.7	Very high	92.1	Very high	148 Å²	148	88.2 Å²	88.2	56%	0.558	48%	0.478	S	S	*	.			trans	-89.7	115.2	-179.8	-59	-177.2	-177.1	-96	5.5	109.7	C1134 L1136 A1180 V1184	C1134-R1182 WeakPolarHBondContact O-CB 3.19Å; C1134-R1182 VanDerWaalsContact O-CD 3.32Å; C1134-R1182 WeakPolarHBondContact O-CD 3.39Å; C1134-R1182 WeakPolarHBondContact O-CG 3.44Å; C1134-R1182 PolarHBondContact O-NH1 3.29Å; L1136-R1182 HydrophobicContact CD2-CG 4.11Å; A1180-R1182 PolarHBondContact O-N 3.43Å; A1180-R1182 VanDerWaalsContact O-N 3.07Å; R1182-V1184 PolarHBondContact O-N 2.96Å
1183	M	90.8	Very high	91.9	Very high	30 Å²	30	88.1 Å²	88.1	15%	0.148	48%	0.482	C	S	.	.			trans	-77.6	110.7	169.3	-66.4	172	-82.3	0	0	108.9	V1130 G1135 V1137 M1163 F1171 I1185	V1130-M1183 HydrophobicContact CB-CE 4.32Å; V1130-M1183 HydrophobicContact CG1-CB 4.19Å; V1130-M1183 HydrophobicContact CG1-CE 3.94Å; V1130-M1183 HydrophobicContact CG2-CE 3.37Å; V1130-M1183 HydrophobicContact CG2-SD 3.92Å; G1135-M1183 WeakPolarHBondContact CA-O 3.45Å; G1135-M1183 PolarHBondContact O-N 3.36Å; V1137-M1183 HydrophobicContact CG2-CE 4.04Å; M1163-M1183 HydrophobicContact SD-SD 4.35Å; F1171-M1183 HydrophobicContact CD2-CE 4.07Å; F1171-M1183 HydrophobicContact CD2-CG 4.42Å; F1171-M1183 HydrophobicContact CD2-SD 4.13Å; F1171-M1183 HydrophobicContact CE2-CE 4.08Å; F1171-M1183 HydrophobicContact CE2-CG 3.59Å; F1171-M1183 HydrophobicContact CE2-SD 3.55Å; F1171-M1183 VanDerWaalsContact CE2-SD 3.55Å; F1171-M1183 HydrophobicContact CZ-CG 4.23Å; M1183-I1185 HydrophobicContact CB-CD1 4.18Å; M1183-I1185 HydrophobicContact CB-CG1 4.37Å
1184	V	82.9	Confident	91.4	Very high	144 Å²	144	86.9 Å²	86.9	87%	0.873	48%	0.483	S	S	*	.			trans	-87.8	119.4	170.5	-174.8	0	0	0	0	107.2	R1182	R1182-V1184 PolarHBondContact O-N 2.96Å
1185	I	66	Low	90.9	Very high	121 Å²	121	91.1 Å²	91.1	62%	0.621	51%	0.507	S	S	*	.			trans	-125	0	-176.1	-58.3	147.4	0	0	0	108.8	V1130 T1159 V1161 M1183	V1130-I1185 HydrophobicContact CB-CD1 3.65Å; V1130-I1185 HydrophobicContact CG1-CD1 3.69Å; V1130-I1185 HydrophobicContact CG2-CD1 3.99Å; T1159-I1185 HydrophobicContact CG2-CG2 3.86Å; V1161-I1185 HydrophobicContact CG2-CD1 3.3Å; V1161-I1185 HydrophobicContact CG2-CG1 4.09Å; M1183-I1185 HydrophobicContact CB-CD1 4.18Å; M1183-I1185 HydrophobicContact CB-CG1 4.37Å

Retrieved 1,185 of 1,185 residues in 870.5 ms (Link to these results)

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