A0A087XG61_POEFO Loading...

receptor protein serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A087XG61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,041 aa.

						>A0A087XG61_POEFO|A0A087XG61
MKSMARSAFCFAIFLTSVAAAQGEERECAFTDQLPQWEVKRVAEGEGRVSPENTTIRCAKGKHCFGLWEKTPPGELQLVKQGCWSHLADNHGCHDDRCVVTSLPPQIQNGTYHFCCCGSDMCNVNFTEDFPVPSPTPPQPFSHGTLRLEETVTIALATVSLLVVVAVAAFFGYRMMHRNGKQGLHNLNMMEAAGSESSLDLDNLKLLELIGRGRYGTVYCGSLDERPVAVKVFTAANRQNFVNECSIYRLPLLEHDNIARFIAADERTGPEGRSEYLLVMDYYPHGSLSHYLSVQTNDWVNSCRLAHSVTRGLAYLHTELFKGDLYKPAVSHRDLNSRNILVKADGTCVIIDFGLSMKLTGNRPARHGEEENAAISEVGTIRYMAPEVLEGAVNLRDCESALKQVDMYALGLVYWEIFMRCTDLFPGESVPEYQMAFQAEAGNHPTFEDMQVLVSREKQRPKFPEAWKENSLAVRSLKETMEDCWDQDAEARLTAQCAEERLAELLLIWDRSKSVSPTLNPMSTTLHNERNRMTPKSGPYTDHPSTYIEEHEGVAKNQQVDTTGSLPGRVGGGTGERNRNSINQERQQQANARLPSPEGSSTSMGLRGSPSTSTTTTTIISESEGPTGASTVPVCLHLTQEDLETTKLDPKEVDKNLKESSDENLMEHSQKQFCSPDPLSPGSSSLLYPLIKMASEASGTSDPAAAMPTAIFPLPKQQNLPKRPSSLPLRNKPAKKESSSSSLRFKFGRSGKSNLRQVEGTKMNIGVATGPNVVEAQPGSGTNNIPVIRDTHVNGAVNGHAGVVSGGADVVQNGSVPLRTDDSRLSLGLITASPDEHEPLLSREREQPDARAAPSGVAAMRSARPNTNNNNSNTGLGQGDGNSGGESDGGEEEGSAEGTSRETVGESSGSGSALADPPREATVTMRGEALLRQPRARRPERPNSLDLSFTTQDLTSLGEGLVRPDGALGTGEKIKKRVKTPYSLKKWRPTTWVISTDTRGPEVNNNGSTRGQGHTQNGPKSTSAIYLQGGGLASEPSDTQV
					

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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	51.3	Low	45.8	Very low	221 Å²	221	137.5 Å²	137.5	100%	1.089	72%	0.723	S	S	*	*				0	-22.1	0	-79.4	176.1	169.2	0	0	116.5	S3	M1-S3 PolarHBondContact O-N 3.29Å
2	K	43	Very low	45.7	Very low	201 Å²	201	131 Å²	131	87%	0.874	70%	0.704	S	S	*	*			trans	-80.3	-8.5	-177.5	-76	-174.2	176.2	178.8	0	117.3
3	S	44.5	Very low	45.7	Very low	107 Å²	107	128.1 Å²	128.1	75%	0.748	69%	0.686	S	S	*	*	S	Bend	trans	-81.5	-41.9	178.8	-159.1	0	0	0	0	113.5	M1 A5 R6	M1-S3 PolarHBondContact O-N 3.29Å; S3-A5 PolarHBondContact O-N 2.91Å; S3-A5 VanDerWaalsContact O-N 3.1Å; S3-R6 PolarHBondContact O-N 3Å
4	M	47.2	Very low	45.1	Very low	160 Å²	160	131.1 Å²	131.1	79%	0.788	69%	0.691	S	S	*	*	H	α-helix	trans	-65.1	-18	-176.1	-66.5	-162	-74.2	0	0	114.4	R6	M4-R6 PolarHBondContact O-N 3.05Å
5	A	47.9	Very low	44.9	Very low	73 Å²	73	132.1 Å²	132.1	60%	0.603	70%	0.696	S	S	*	*	H	α-helix	trans	-76.4	-16.3	179.3	0	0	0	0	0	114.7	S3	S3-A5 PolarHBondContact O-N 2.91Å; S3-A5 VanDerWaalsContact O-N 3.1Å
6	R	46.4	Very low	44.6	Very low	209 Å²	209	130.4 Å²	130.4	79%	0.789	69%	0.692	S	S	*	*	H	α-helix	trans	-92.1	-33.9	-178.9	-77.6	-175.1	169.1	179.2	-4.6	113.9	S3 M4 F9	S3-R6 PolarHBondContact O-N 3Å; M4-R6 PolarHBondContact O-N 3.05Å; R6-F9 PolarHBondContact O-N 3.1Å
7	S	45.8	Very low	44.2	Very low	82 Å²	82	127.7 Å²	127.7	57%	0.573	69%	0.686	S	S	*	*	H	α-helix	trans	-68.3	-36.8	-179.3	-172.2	0	0	0	0	112.6	F9 C10 F11	S7-F9 VanDerWaalsContact C-N 3.27Å; S7-F9 PolarHBondContact O-N 2.77Å; S7-C10 PolarHBondContact O-N 3.13Å; S7-F11 PolarHBondContact O-N 2.93Å
8	A	49.7	Very low	44.2	Very low	72 Å²	72	129.1 Å²	129.1	60%	0.595	70%	0.699	S	S	*	*	H	α-helix	trans	-62.8	-28.4	177.7	0	0	0	0	0	114.1
9	F	44.5	Very low	44.3	Very low	151 Å²	151	126.6 Å²	126.6	66%	0.662	70%	0.699	S	S	*	*	H	α-helix	trans	-79.7	-31.2	-178.6	-156.9	-102.4	0	0	0	112.7	R6 S7 I13	R6-F9 PolarHBondContact O-N 3.1Å; S7-F9 VanDerWaalsContact C-N 3.27Å; S7-F9 PolarHBondContact O-N 2.77Å; F9-I13 HydrophobicContact CD1-CD1 3.95Å; F9-I13 HydrophobicContact CE1-CD1 3.75Å
10	C	41.4	Very low	44.1	Very low	81 Å²	81	125.1 Å²	125.1	55%	0.547	70%	0.703	S	S	.	*	H	α-helix	trans	-71.9	-34.5	176.8	-64.7	0	0	0	0	112.7	S7 A12 I13	S7-C10 PolarHBondContact O-N 3.13Å; C10-A12 VanDerWaalsContact C-N 3.29Å; C10-A12 PolarHBondContact O-N 2.78Å; C10-I13 PolarHBondContact O-N 3.47Å
11	F	42.1	Very low	43.8	Very low	155 Å²	155	123.9 Å²	123.9	68%	0.68	71%	0.709	S	S	*	*	H	α-helix	trans	-71.7	-20.1	178.9	-109.5	-83.9	0	0	0	114.1	S7	S7-F11 PolarHBondContact O-N 2.93Å
12	A	45	Very low	43.3	Very low	60 Å²	60	122.1 Å²	122.1	50%	0.496	70%	0.698	S	S	.	*	H	α-helix	trans	-78.6	-24.8	175.4	0	0	0	0	0	113.5	C10	C10-A12 VanDerWaalsContact C-N 3.29Å; C10-A12 PolarHBondContact O-N 2.78Å
13	I	45.8	Very low	43.6	Very low	93 Å²	93	114.3 Å²	114.3	48%	0.477	68%	0.675	S	S	.	*	H	α-helix	trans	-91.8	-30.1	-171.3	-66.3	173.7	0	0	0	112.3	F9 C10 L15 T16	F9-I13 HydrophobicContact CD1-CD1 3.95Å; F9-I13 HydrophobicContact CE1-CD1 3.75Å; C10-I13 PolarHBondContact O-N 3.47Å; I13-L15 VanDerWaalsContact C-N 3.27Å; I13-L15 PolarHBondContact O-N 3.18Å; I13-T16 PolarHBondContact O-OG1 3.46Å
14	F	36.6	Very low	44.2	Very low	170 Å²	170	117 Å²	117	75%	0.746	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-2.7	177	-87.9	-78.5	0	0	0	114.8
15	L	42.2	Very low	45	Very low	147 Å²	147	115 Å²	115	77%	0.77	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	3.5	174.7	-78	168.7	0	0	0	113.8	I13	I13-L15 VanDerWaalsContact C-N 3.27Å; I13-L15 PolarHBondContact O-N 3.18Å
16	T	39.9	Very low	46.4	Very low	104 Å²	104	114.7 Å²	114.7	64%	0.638	65%	0.648	S	S	*	*	S	Bend	trans	-126.4	18.9	-175.8	61.9	0	0	0	0	114.7	I13	I13-T16 PolarHBondContact O-OG1 3.46Å
17	S	38	Very low	48.2	Very low	85 Å²	85	107.2 Å²	107.2	59%	0.594	62%	0.622	S	S	*	*	S	Bend	trans	-113.6	-10.3	177.7	53.1	0	0	0	0	115.1	A19	S17-A19 PolarHBondContact O-N 2.87Å; S17-A19 VanDerWaalsContact O-N 3.08Å
18	V	44.6	Very low	50.1	Low	152 Å²	152	103.3 Å²	103.3	92%	0.921	59%	0.594	S	S	*	*	S	Bend	trans	-85.7	53.2	167	-167.8	0	0	0	0	109.7
19	A	45.9	Very low	51.8	Low	83 Å²	83	100.1 Å²	100.1	69%	0.686	57%	0.568	S	S	*	*	S	Bend	trans	-153.2	22.3	-170.7	0	0	0	0	0	115.2	S17	S17-A19 PolarHBondContact O-N 2.87Å; S17-A19 VanDerWaalsContact O-N 3.08Å
20	A	41	Very low	53.7	Low	96 Å²	96	94.9 Å²	94.9	79%	0.793	55%	0.545	S	S	*	.			trans	-155.3	51.2	176.7	0	0	0	0	0	114.6
21	A	37.3	Very low	55.5	Low	99 Å²	99	93 Å²	93	82%	0.818	53%	0.531	S	S	*	.			trans	-111.8	92.5	160.4	0	0	0	0	0	108.6	G23	A21-G23 PolarHBondContact O-N 3.41Å
22	Q	41.6	Very low	56.7	Low	185 Å²	185	88.1 Å²	88.1	86%	0.864	51%	0.512	S	S	*	.			trans	-73.6	77.8	173.7	-73	179.9	-68	0	0	109.6	E24	Q22-E24 PolarHBondContact O-N 2.97Å
23	G	48.8	Very low	57.2	Low	37 Å²	37	92.2 Å²	92.2	38%	0.381	52%	0.521	S	S	.	.			trans	-65.9	110.4	162.2	0	0	0	0	0	108.4	A21 K60	A21-G23 PolarHBondContact O-N 3.41Å; G23-K60 VanDerWaalsContact O-CD 3.25Å; G23-K60 WeakPolarHBondContact O-CD 3.13Å; G23-K60 WeakPolarHBondContact O-CE 3.48Å; G23-K60 PolarHBondContact O-NZ 3.31Å
24	E	57.3	Low	57.6	Low	164 Å²	164	92 Å²	92	77%	0.766	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-75.2	160.6	179	-62.3	-176.5	127.1	0	0	111.1	Q22	Q22-E24 PolarHBondContact O-N 2.97Å
25	E	63.5	Low	58	Low	117 Å²	117	87.5 Å²	87.5	55%	0.547	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-83.2	120.1	169.4	-65.7	-177.2	166.3	0	0	108	R57	E25-R57 IonicContact OE2-NH1 2.89Å; E25-R57 PolarHBondContact OE2-NH1 3.18Å
26	R	77.4	Confident	58.3	Low	67 Å²	67	89.2 Å²	89.2	25%	0.253	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.6	-179.3	-175.2	173.6	-71.9	145.9	-8.4	110.4	R57 C58 K62 G118 D120	R26-R57 CarbonylContact O-C 3.53Å; R26-R57 WeakPolarHBondContact O-CA 3.38Å; R26-C58 PolarHBondContact O-N 2.81Å; R26-K62 PolarHBondContact NH1-O 3.35Å; R26-G118 PolarHBondContact NE-O 2.91Å; R26-G118 PolarHBondContact NH2-O 3.17Å; R26-D120 WeakPolarHBondContact CA-OD1 3.48Å; R26-D120 WeakPolarHBondContact CG-OD1 3.31Å
27	E	83.4	Confident	58.5	Low	52 Å²	52	92.6 Å²	92.6	24%	0.243	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.1	175.2	-164.1	155.1	155.6	0	0	110.2	T55 R57 D120 M121	E27-T55 HydrophobicContact CG-CG2 4.38Å; E27-T55 VanDerWaalsContact OE1-CB 3.28Å; E27-T55 WeakPolarHBondContact OE1-CB 3.46Å; E27-T55 PolarHBondContact OE1-OG1 3.13Å; E27-R57 HydrophobicContact CB-CG 4.1Å; E27-R57 HydrophobicContact CG-CG 4.03Å; E27-R57 IonicContact OE2-CZ 3.14Å; E27-R57 IonicContact OE2-NE 3.46Å; E27-R57 PolarHBondContact OE2-NE 3.23Å; E27-R57 IonicContact OE2-NH2 2.67Å; E27-D120 PolarHBondContact N-OD1 2.63Å; E27-D120 CarbonylContact O-C 3.49Å; E27-D120 WeakPolarHBondContact O-CA 3.41Å; E27-M121 PolarHBondContact O-N 3.19Å
28	C	86.7	Confident	59	Low	0 Å²	0	91.1 Å²	91.1	0%	0	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	156.2	-177.8	-58.4	0	0	0	0	110.3	T55 I56 C58 C64	C28-T55 WeakPolarHBondContact O-CA 3.37Å; C28-I56 HydrophobicContact CB-CG2 4.16Å; C28-I56 PolarHBondContact N-O 2.79Å; C28-I56 PolarHBondContact O-N 2.92Å; C28-C58 PolarHBondContact SG-SG 2.92Å; C28-C64 HydrophobicContact CB-CB 3.72Å; C28-C64 WeakPolarHBondContact CB-SG 3.48Å; C28-C64 WeakPolarHBondContact SG-CA 3.25Å; C28-C64 WeakPolarHBondContact SG-CB 3.15Å; C28-C64 CovalentContact SG-SG 2.03Å; C28-C64 PolarHBondContact SG-SG 3.19Å
29	A	85.6	Confident	59.3	Low	5 Å²	5	86.9 Å²	86.9	4%	0.041	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	144.8	168	0	0	0	0	0	110	G82 M121 N123 V124	A29-G82 PolarHBondContact O-N 3.09Å; A29-M121 HydrophobicContact CB-CE 3.98Å; A29-M121 PolarHBondContact N-SD 3.08Å; A29-M121 VanDerWaalsContact N-SD 3.42Å; A29-N123 WeakPolarHBondContact CB-OD1 3.34Å; A29-N123 PolarHBondContact N-OD1 3.08Å; A29-N123 PolarHBondContact O-ND2 3.21Å; A29-V124 HydrophobicContact CB-CG2 3.83Å
30	F	83.7	Confident	59.2	Low	41 Å²	41	91.5 Å²	91.5	18%	0.18	48%	0.476	C	S	.	.			trans	-136	117.5	-178.6	-177.6	-102.5	0	0	0	111.2	D32 V49 T54 I56 Q81	F30-D32 HydrophobicContact CE1-CB 4.12Å; F30-D32 HydrophobicContact CE2-CB 4.29Å; F30-D32 HydrophobicContact CZ-CB 3.7Å; F30-V49 HydrophobicContact CD1-CG1 3.86Å; F30-V49 HydrophobicContact CE1-CG1 3.94Å; F30-T54 PolarHBondContact N-O 3.29Å; F30-I56 HydrophobicContact CB-CB 3.85Å; F30-I56 HydrophobicContact CB-CG2 3.8Å; F30-I56 HydrophobicContact CD2-CB 4.1Å; F30-I56 HydrophobicContact CD2-CD1 4.11Å; F30-I56 HydrophobicContact CD2-CG2 4.01Å; F30-I56 HydrophobicContact CE2-CD1 4.33Å; F30-I56 HydrophobicContact CG-CB 4.09Å; F30-I56 HydrophobicContact CG-CG2 4.24Å; F30-Q81 WeakPolarHBondContact CD2-O 3.45Å
31	T	78.6	Confident	59.5	Low	42 Å²	42	94.2 Å²	94.2	26%	0.258	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-136.8	121.1	175.6	-60	0	0	0	0	108.4	L78 K80 Q81	T31-L78 HydrophobicContact CG2-CD2 3.9Å; T31-L78 HydrophobicContact CG2-CG 4.32Å; T31-K80 WeakPolarHBondContact O-CA 3.28Å; T31-Q81 PolarHBondContact N-O 3.01Å; T31-Q81 PolarHBondContact O-N 2.81Å; T31-Q81 VanDerWaalsContact O-N 3.16Å; T31-Q81 PolarHBondContact OG1-OE1 2.93Å; T31-Q81 VanDerWaalsContact OG1-OE1 3.13Å
32	D	67.6	Low	60.1	Low	52 Å²	52	92.4 Å²	92.4	28%	0.278	44%	0.444	S	S	.	.			trans	-146.8	119.3	178.6	-157.9	3.8	0	0	0	109.9	F30 L34 K80	F30-D32 HydrophobicContact CE1-CB 4.12Å; F30-D32 HydrophobicContact CE2-CB 4.29Å; F30-D32 HydrophobicContact CZ-CB 3.7Å; D32-L34 PolarHBondContact O-N 2.83Å; D32-K80 WeakPolarHBondContact OD1-CE 3.35Å; D32-K80 IonicContact OD1-NZ 3.59Å; D32-K80 PolarHBondContact OD1-NZ 2.73Å; D32-K80 WeakPolarHBondContact OD2-CE 3.38Å; D32-K80 IonicContact OD2-NZ 3.7Å; D32-K80 PolarHBondContact OD2-NZ 2.77Å
33	Q	56.2	Low	60.5	Low	146 Å²	146	86.1 Å²	86.1	68%	0.682	42%	0.424	S	S	*	.			trans	-86.7	46.1	-171.6	-60.7	-168.9	28.5	0	0	112.9
34	L	54.1	Low	60.5	Low	89 Å²	89	93.3 Å²	93.3	47%	0.466	45%	0.447	S	S	.	.			trans	-105.9	145.6	-178.4	-78.4	168.6	0	0	0	112.8	D32	D32-L34 PolarHBondContact O-N 2.83Å
35	P	45.7	Very low	60.4	Low	75 Å²	75	88.5 Å²	88.5	49%	0.487	44%	0.442	S	S	.	.			trans	-62	148.5	-178	-24.2	35.2	0	0	0	114.1	W37 E38	P35-W37 PolarHBondContact O-N 3.36Å; P35-E38 PolarHBondContact O-N 3.07Å
36	Q	46.7	Very low	60.1	Low	182 Å²	182	86.3 Å²	86.3	85%	0.85	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-10.5	-166.1	-158.4	171.9	14.2	0	0	116.5
37	W	44.3	Very low	59.1	Low	176 Å²	176	84 Å²	84	67%	0.667	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.3	177	61.6	-87.6	0	0	0	114.3	P35	P35-W37 PolarHBondContact O-N 3.36Å
38	E	50.1	Low	58.2	Low	53 Å²	53	91.7 Å²	91.7	25%	0.248	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-24.4	175.6	-60.8	-140.2	102.1	0	0	113.6	P35 K40 R41	P35-E38 PolarHBondContact O-N 3.07Å; E38-K40 PolarHBondContact O-N 3.18Å; E38-R41 PolarHBondContact O-N 2.85Å; E38-R41 IonicContact OE1-CZ 3.18Å; E38-R41 IonicContact OE1-NH1 2.8Å; E38-R41 PolarHBondContact OE1-NH1 3.47Å; E38-R41 VanDerWaalsContact OE1-NH1 3.14Å; E38-R41 IonicContact OE1-NH2 2.74Å; E38-R41 PolarHBondContact OE1-NH2 3.14Å
39	V	50.8	Low	57	Low	63 Å²	63	93 Å²	93	38%	0.382	46%	0.464	S	S	.	.	H	α-helix	trans	-51.2	-32.1	176.7	-178.3	0	0	0	0	112.1	R41	V39-R41 PolarHBondContact O-N 2.74Å
40	K	43.8	Very low	56	Low	181 Å²	181	94.9 Å²	94.9	79%	0.787	48%	0.477	S	S	*	.	H	α-helix	trans	-78.1	-11.6	-179.6	-134.4	176.9	-174.5	-179.8	0	115.2	E38	E38-K40 PolarHBondContact O-N 3.18Å
41	R	46.6	Very low	54.6	Low	152 Å²	152	97.9 Å²	97.9	57%	0.574	50%	0.5	S	S	*	.	H	α-helix	trans	-97.7	-21	177	-99.6	-174.5	-69.8	123.1	8.5	114.1	E38 V39	E38-R41 PolarHBondContact O-N 2.85Å; E38-R41 IonicContact OE1-CZ 3.18Å; E38-R41 IonicContact OE1-NH1 2.8Å; E38-R41 PolarHBondContact OE1-NH1 3.47Å; E38-R41 VanDerWaalsContact OE1-NH1 3.14Å; E38-R41 IonicContact OE1-NH2 2.74Å; E38-R41 PolarHBondContact OE1-NH2 3.14Å; V39-R41 PolarHBondContact O-N 2.74Å
42	V	50.2	Low	53.6	Low	62 Å²	62	104.6 Å²	104.6	38%	0.376	53%	0.529	S	S	.	.	H	α-helix	trans	-75.9	-29.8	175.7	-177.8	0	0	0	0	111.5	E44 G45	V42-E44 PolarHBondContact O-N 2.86Å; V42-E44 VanDerWaalsContact O-N 3.13Å; V42-G45 PolarHBondContact O-N 3.39Å; V42-G45 VanDerWaalsContact O-N 3.15Å
43	A	50.6	Low	53.2	Low	53 Å²	53	107.3 Å²	107.3	44%	0.438	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.6	-173.7	0	0	0	0	0	116
44	E	49	Very low	53.9	Low	187 Å²	187	104.9 Å²	104.9	87%	0.874	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-6.1	176.5	-64.1	-173.2	146.4	0	0	113.2	V42	V42-E44 PolarHBondContact O-N 2.86Å; V42-E44 VanDerWaalsContact O-N 3.13Å
45	G	53.9	Low	55.1	Low	64 Å²	64	101.1 Å²	101.1	66%	0.66	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-47.4	-170.2	0	0	0	0	0	116.7	V42	V42-G45 PolarHBondContact O-N 3.39Å; V42-G45 VanDerWaalsContact O-N 3.15Å
46	E	57.3	Low	56.9	Low	70 Å²	70	97.9 Å²	97.9	33%	0.327	50%	0.497	S	S	.	.	S	Bend	trans	-123.4	-19.2	-165.9	-69.6	-147.9	100.1	0	0	117.1	A59 K62 S85	E46-A59 PolarHBondContact O-N 2.91Å; E46-K62 IonicContact OE1-NZ 2.84Å; E46-K62 PolarHBondContact OE1-NZ 3.27Å; E46-S85 WeakPolarHBondContact OE1-CB 3.41Å; E46-S85 PolarHBondContact OE1-OG 2.72Å
47	G	57.5	Low	58.5	Low	18 Å²	18	94.8 Å²	94.8	19%	0.186	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	165.3	-174.7	0	0	0	0	0	113.9	V49 R57	G47-V49 PolarHBondContact O-N 3.26Å; G47-R57 WeakPolarHBondContact CA-O 3.46Å
48	R	62.9	Low	60.2	Low	215 Å²	215	86.6 Å²	86.6	81%	0.811	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	110.4	167.8	-70.6	-177.2	179.7	173.4	1.7	108.5	R57	R48-R57 PolarHBondContact O-N 3.14Å; R48-R57 VanDerWaalsContact O-N 3.09Å
49	V	62.8	Low	61.3	Low	28 Å²	28	86.3 Å²	86.3	17%	0.17	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	134.1	171.5	-178.8	0	0	0	0	108.9	F30 G47 P51 I56	F30-V49 HydrophobicContact CD1-CG1 3.86Å; F30-V49 HydrophobicContact CE1-CG1 3.94Å; G47-V49 PolarHBondContact O-N 3.26Å; V49-P51 WeakPolarHBondContact O-CD 3.38Å; V49-I56 HydrophobicContact CG2-CD1 3.8Å; V49-I56 HydrophobicContact CG2-CG1 3.94Å
50	S	63	Low	62.3	Low	44 Å²	44	90.1 Å²	90.1	31%	0.308	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	93.8	170.1	-170.2	0	0	0	0	109.6	E52 N53 T54 T55	S50-E52 PolarHBondContact O-N 3.44Å; S50-E52 VanDerWaalsContact O-N 3.13Å; S50-N53 PolarHBondContact O-N 3.15Å; S50-T54 PolarHBondContact O-N 3.5Å; S50-T55 PolarHBondContact N-O 2.82Å
51	P	55.9	Low	63.4	Low	104 Å²	104	84.8 Å²	84.8	68%	0.675	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.5	-173.8	28.6	-36.1	0	0	0	113.7	V49	V49-P51 WeakPolarHBondContact O-CD 3.38Å
52	E	56.4	Low	64.7	Low	183 Å²	183	79.3 Å²	79.3	86%	0.855	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-19.6	177.8	-63.2	-179.8	-172.3	0	0	112.9	S50	S50-E52 PolarHBondContact O-N 3.44Å; S50-E52 VanDerWaalsContact O-N 3.13Å
53	N	59.1	Low	66.4	Low	108 Å²	108	79.1 Å²	79.1	58%	0.578	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-0.8	-174.1	-79.6	4.3	0	0	0	115.1	S50 T55	S50-N53 PolarHBondContact O-N 3.15Å; N53-T55 VanDerWaalsContact C-N 3.25Å; N53-T55 PolarHBondContact O-N 3.49Å
54	T	72.2	Confident	68.1	Low	95 Å²	95	76.6 Å²	76.6	58%	0.583	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	34	-173	59	0	0	0	0	114.2	F30 S50	F30-T54 PolarHBondContact N-O 3.29Å; S50-T54 PolarHBondContact O-N 3.5Å
55	T	79.1	Confident	70	Confident	11 Å²	11	68.8 Å²	68.8	7%	0.067	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.8	176.9	63.3	0	0	0	0	113.1	E27 C28 S50 N53 M121	E27-T55 HydrophobicContact CG-CG2 4.38Å; E27-T55 VanDerWaalsContact OE1-CB 3.28Å; E27-T55 WeakPolarHBondContact OE1-CB 3.46Å; E27-T55 PolarHBondContact OE1-OG1 3.13Å; C28-T55 WeakPolarHBondContact O-CA 3.37Å; S50-T55 PolarHBondContact N-O 2.82Å; N53-T55 VanDerWaalsContact C-N 3.25Å; N53-T55 PolarHBondContact O-N 3.49Å; T55-M121 HydrophobicContact CG2-CE 3.69Å; T55-M121 HydrophobicContact CG2-SD 3.67Å
56	I	82.8	Confident	71.7	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.031	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.1	172.8	-171.9	171.4	0	0	0	109.4	C28 F30 V49	C28-I56 HydrophobicContact CB-CG2 4.16Å; C28-I56 PolarHBondContact N-O 2.79Å; C28-I56 PolarHBondContact O-N 2.92Å; F30-I56 HydrophobicContact CB-CB 3.85Å; F30-I56 HydrophobicContact CB-CG2 3.8Å; F30-I56 HydrophobicContact CD2-CB 4.1Å; F30-I56 HydrophobicContact CD2-CD1 4.11Å; F30-I56 HydrophobicContact CD2-CG2 4.01Å; F30-I56 HydrophobicContact CE2-CD1 4.33Å; F30-I56 HydrophobicContact CG-CB 4.09Å; F30-I56 HydrophobicContact CG-CG2 4.24Å; V49-I56 HydrophobicContact CG2-CD1 3.8Å; V49-I56 HydrophobicContact CG2-CG1 3.94Å
57	R	81.4	Confident	73	Confident	118 Å²	118	64.6 Å²	64.6	45%	0.445	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.3	166.2	-72	-164.7	-165.5	164.6	5.3	111.3	E25 R26 E27 G47 R48	E25-R57 IonicContact OE2-NH1 2.89Å; E25-R57 PolarHBondContact OE2-NH1 3.18Å; R26-R57 CarbonylContact O-C 3.53Å; R26-R57 WeakPolarHBondContact O-CA 3.38Å; E27-R57 HydrophobicContact CB-CG 4.1Å; E27-R57 HydrophobicContact CG-CG 4.03Å; E27-R57 IonicContact OE2-CZ 3.14Å; E27-R57 IonicContact OE2-NE 3.46Å; E27-R57 PolarHBondContact OE2-NE 3.23Å; E27-R57 IonicContact OE2-NH2 2.67Å; G47-R57 WeakPolarHBondContact CA-O 3.46Å; R48-R57 PolarHBondContact O-N 3.14Å; R48-R57 VanDerWaalsContact O-N 3.09Å
58	C	78.7	Confident	74.4	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.02	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.9	-179.4	-56.6	0	0	0	0	111.5	R26 C28 K62 C83	R26-C58 PolarHBondContact O-N 2.81Å; C28-C58 PolarHBondContact SG-SG 2.92Å; C58-K62 HydrophobicContact CB-CB 3.98Å; C58-C83 WeakPolarHBondContact CA-SG 3.38Å; C58-C83 HydrophobicContact CB-CB 3.82Å; C58-C83 WeakPolarHBondContact CB-SG 3.28Å; C58-C83 WeakPolarHBondContact SG-CA 3.22Å; C58-C83 WeakPolarHBondContact SG-CB 3.17Å; C58-C83 CovalentContact SG-SG 2.03Å; C58-C83 PolarHBondContact SG-SG 3.03Å
59	A	73.8	Confident	75.4	Confident	48 Å²	48	57 Å²	57	40%	0.397	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-56.9	150	171.9	0	0	0	0	0	112.3	E46 G61 K62	E46-A59 PolarHBondContact O-N 2.91Å; A59-G61 PolarHBondContact O-N 3.45Å; A59-K62 HydrophobicContact CB-CD 4.19Å; A59-K62 VanDerWaalsContact O-CB 3.29Å; A59-K62 WeakPolarHBondContact O-CB 3.33Å; A59-K62 WeakPolarHBondContact O-CG 3.48Å; A59-K62 PolarHBondContact O-N 2.91Å; A59-K62 VanDerWaalsContact O-N 3.11Å
60	K	71.2	Confident	76.1	Confident	142 Å²	142	59.1 Å²	59.1	62%	0.617	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	131.1	-172.3	-56.1	-173.5	-179.4	-148	0	112.2	G23	G23-K60 VanDerWaalsContact O-CD 3.25Å; G23-K60 WeakPolarHBondContact O-CD 3.13Å; G23-K60 WeakPolarHBondContact O-CE 3.48Å; G23-K60 PolarHBondContact O-NZ 3.31Å
61	G	66.3	Low	76.7	Confident	70 Å²	70	58.7 Å²	58.7	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	-6.5	-178.5	0	0	0	0	0	115.7	A59	A59-G61 PolarHBondContact O-N 3.45Å
62	K	74.9	Confident	77.1	Confident	37 Å²	37	60 Å²	60	16%	0.161	32%	0.324	C	S	.	.			trans	-81.7	156	173.4	-65.3	-175.9	-178.3	-175.8	0	112.3	R26 E46 C58 A59 C83 W84 S85	R26-K62 PolarHBondContact NH1-O 3.35Å; E46-K62 IonicContact OE1-NZ 2.84Å; E46-K62 PolarHBondContact OE1-NZ 3.27Å; C58-K62 HydrophobicContact CB-CB 3.98Å; A59-K62 HydrophobicContact CB-CD 4.19Å; A59-K62 VanDerWaalsContact O-CB 3.29Å; A59-K62 WeakPolarHBondContact O-CB 3.33Å; A59-K62 WeakPolarHBondContact O-CG 3.48Å; A59-K62 PolarHBondContact O-N 2.91Å; A59-K62 VanDerWaalsContact O-N 3.11Å; K62-C83 HydrophobicContact CD-CB 4.32Å; K62-W84 WeakPolarHBondContact CB-O 3.26Å; K62-S85 VanDerWaalsContact CE-CB 3.48Å
63	H	84.9	Confident	77.3	Confident	57 Å²	57	57.2 Å²	57.2	26%	0.264	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	160.6	-179.5	-67.6	78.1	0	0	0	110.4	W84 C93 C116 C117	H63-W84 PolarHBondContact N-O 2.89Å; H63-W84 PolarHBondContact O-N 2.97Å; H63-C93 HydrophobicContact CB-CB 4.28Å; H63-C116 VanDerWaalsContact CB-SG 3.57Å; H63-C117 WeakPolarHBondContact CB-O 3.49Å
64	C	87.6	Confident	77.7	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	146.4	171.6	-51.4	0	0	0	0	109.7	C28 C116 C117 N123	C28-C64 HydrophobicContact CB-CB 3.72Å; C28-C64 WeakPolarHBondContact CB-SG 3.48Å; C28-C64 WeakPolarHBondContact SG-CA 3.25Å; C28-C64 WeakPolarHBondContact SG-CB 3.15Å; C28-C64 CovalentContact SG-SG 2.03Å; C28-C64 PolarHBondContact SG-SG 3.19Å; C64-C116 CarbonylContact O-C 3.54Å; C64-C116 VanDerWaalsContact O-CA 3.27Å; C64-C116 WeakPolarHBondContact O-CA 3.43Å; C64-C117 PolarHBondContact N-O 3.16Å; C64-C117 VanDerWaalsContact N-O 3.1Å; C64-C117 PolarHBondContact O-N 2.97Å; C64-N123 HydrophobicContact CB-CB 3.73Å
65	F	89	Confident	77.8	Confident	24 Å²	24	56.2 Å²	56.2	11%	0.105	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.9	169.1	81.4	-85	0	0	0	112.6	K80 Q81 G82 C83 W84 F114 C115 N123	F65-K80 HydrophobicContact CE2-CG 4.37Å; F65-K80 HydrophobicContact CZ-CG 4.23Å; F65-Q81 WeakPolarHBondContact O-CA 3.39Å; F65-G82 WeakPolarHBondContact CD1-O 3.2Å; F65-G82 PolarHBondContact N-O 3.42Å; F65-G82 PolarHBondContact O-N 3.41Å; F65-C83 WeakPolarHBondContact CE1-O 3.18Å; F65-W84 HydrophobicContact CB-CB 4.22Å; F65-W84 HydrophobicContact CB-CE3 4.24Å; F65-W84 HydrophobicContact CD1-CB 4.05Å; F65-W84 AromaticContact CD1-CE3 3.78Å; F65-W84 HydrophobicContact CD1-CE3 3.78Å; F65-W84 HydrophobicContact CD2-CE3 4.31Å; F65-W84 HydrophobicContact CE1-CE3 4.2Å; F65-W84 AromaticContact CG-CE3 3.84Å; F65-W84 HydrophobicContact CG-CE3 3.84Å; F65-F114 HydrophobicContact CB-CE2 4Å; F65-F114 HydrophobicContact CB-CZ 4.22Å; F65-F114 HydrophobicContact CD2-CD2 4.37Å; F65-F114 AromaticContact CD2-CE2 3.73Å; F65-F114 HydrophobicContact CD2-CE2 3.73Å; F65-F114 HydrophobicContact CG-CE2 4.15Å; F65-C115 VanDerWaalsContact CA-O 3.32Å; F65-C115 WeakPolarHBondContact CA-O 3.41Å; F65-C115 WeakPolarHBondContact CB-O 3.26Å; F65-N123 WeakPolarHBondContact O-CB 3.47Å; F65-N123 PolarHBondContact O-ND2 3.01Å
66	G	88.5	Confident	77.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.6	167.6	0	0	0	0	0	112	W68 C115	G66-W68 VanDerWaalsContact CA-CZ3 3.47Å; G66-W68 WeakPolarHBondContact O-CZ3 3.43Å; G66-C115 PolarHBondContact N-O 3.25Å; G66-C115 VanDerWaalsContact N-O 3.09Å; G66-C115 PolarHBondContact O-N 2.91Å
67	L	85.6	Confident	77.5	Confident	46 Å²	46	64 Å²	64	24%	0.241	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.7	177	179.4	68.2	0	0	0	109.5	V79 K80 Y112 H113 F114	L67-V79 HydrophobicContact CD2-CB 4.3Å; L67-V79 HydrophobicContact CD2-CG1 4.15Å; L67-V79 HydrophobicContact CG-CB 4.2Å; L67-V79 WeakPolarHBondContact O-CA 3.36Å; L67-V79 WeakPolarHBondContact O-CB 3.48Å; L67-V79 PolarHBondContact O-N 3.06Å; L67-K80 PolarHBondContact N-O 2.75Å; L67-K80 PolarHBondContact O-N 2.86Å; L67-K80 VanDerWaalsContact O-N 3.15Å; L67-Y112 HydrophobicContact CD1-CD1 4.45Å; L67-H113 WeakPolarHBondContact CA-O 3.47Å; L67-F114 HydrophobicContact CD1-CB 4.08Å; L67-F114 HydrophobicContact CD1-CD2 4.44Å
68	W	85.9	Confident	77.5	Confident	14 Å²	14	60.6 Å²	60.6	5%	0.053	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151	178.5	-63.7	-102.8	0	0	0	111.2	G66 L76 Q77 L78 Y112 H113 N123 F126	G66-W68 VanDerWaalsContact CA-CZ3 3.47Å; G66-W68 WeakPolarHBondContact O-CZ3 3.43Å; W68-L76 HydrophobicContact CB-CD2 4.5Å; W68-Q77 CarbonylContact C-O 3.57Å; W68-Q77 WeakPolarHBondContact CA-O 3.29Å; W68-L78 HydrophobicContact CD2-CD1 4.34Å; W68-L78 HydrophobicContact CG-CD1 4.45Å; W68-L78 HydrophobicContact CZ2-CD1 4.33Å; W68-Y112 WeakPolarHBondContact O-CA 3.49Å; W68-H113 HydrophobicContact CB-CB 4.49Å; W68-H113 PolarHBondContact N-O 2.91Å; W68-H113 PolarHBondContact O-N 3.24Å; W68-N123 WeakPolarHBondContact CH2-O 3.27Å; W68-F126 HydrophobicContact CB-CE1 3.99Å; W68-F126 AromaticContact CD2-CD1 3.54Å; W68-F126 HydrophobicContact CD2-CD1 3.54Å; W68-F126 AromaticContact CD2-CE1 3.71Å; W68-F126 HydrophobicContact CD2-CE1 3.71Å; W68-F126 AromaticContact CE2-CD1 3.86Å; W68-F126 AromaticContact CE3-CD1 3.48Å; W68-F126 HydrophobicContact CE3-CD1 3.48Å; W68-F126 VanDerWaalsContact CE3-CD1 3.48Å; W68-F126 AromaticContact CE3-CE1 3.93Å; W68-F126 HydrophobicContact CE3-CE1 3.93Å; W68-F126 HydrophobicContact CE3-CG 4.29Å; W68-F126 HydrophobicContact CG-CD1 4.1Å; W68-F126 AromaticContact CG-CE1 3.75Å; W68-F126 HydrophobicContact CG-CE1 3.75Å; W68-F126 HydrophobicContact CH2-CB 4.22Å; W68-F126 HydrophobicContact CH2-CD1 4.09Å; W68-F126 HydrophobicContact CZ2-CD1 4.15Å; W68-F126 HydrophobicContact CZ3-CB 4.05Å; W68-F126 AromaticContact CZ3-CD1 3.76Å; W68-F126 HydrophobicContact CZ3-CD1 3.76Å; W68-F126 HydrophobicContact CZ3-CG 4.27Å
69	E	83.4	Confident	77.7	Confident	59 Å²	59	62.9 Å²	62.9	28%	0.276	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.5	175.7	-175.1	170.6	170.6	0	0	110.8	T71 Q77 V79 T111 Y112	E69-T71 PolarHBondContact O-N 3.42Å; E69-Q77 PolarHBondContact N-O 3.44Å; E69-Q77 PolarHBondContact O-N 3.39Å; E69-V79 HydrophobicContact CB-CG2 3.61Å; E69-T111 CarbonylContact C-O 3.53Å; E69-T111 WeakPolarHBondContact CA-O 3.39Å; E69-Y112 HydrophobicContact CB-CD1 3.87Å; E69-Y112 HydrophobicContact CB-CE1 3.58Å; E69-Y112 VanDerWaalsContact CD-CE1 3.44Å; E69-Y112 VanDerWaalsContact CD-CZ 3.44Å; E69-Y112 HydrophobicContact CG-CD1 4.07Å; E69-Y112 HydrophobicContact CG-CE1 3.55Å; E69-Y112 PolarHBondContact OE1-OH 2.77Å; E69-Y112 WeakPolarHBondContact OE2-CE1 3.48Å; E69-Y112 VanDerWaalsContact OE2-CZ 3.25Å; E69-Y112 PolarHBondContact OE2-OH 2.62Å
70	K	79	Confident	78.2	Confident	72 Å²	72	63.9 Å²	63.9	31%	0.313	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	97.7	178.6	-157.5	168.2	-161.7	154.6	0	109.9	G74 L76 T111 E128	K70-G74 WeakPolarHBondContact CE-O 3.33Å; K70-L76 HydrophobicContact CB-CD2 3.93Å; K70-L76 HydrophobicContact CD-CD2 4.23Å; K70-L76 HydrophobicContact CG-CD2 3.99Å; K70-L76 HydrophobicContact CG-CG 4.47Å; K70-T111 WeakPolarHBondContact CB-O 3.45Å; K70-T111 PolarHBondContact N-O 2.82Å; K70-T111 WeakPolarHBondContact O-CG2 3.02Å; K70-E128 IonicContact NZ-OE1 3.94Å
71	T	74.3	Confident	79	Confident	36 Å²	36	57.6 Å²	57.6	22%	0.221	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	153.8	-180	64.4	0	0	0	0	111.2	E69 P73 G74 E75 Q77	E69-T71 PolarHBondContact O-N 3.42Å; T71-P73 VanDerWaalsContact O-N 3.1Å; T71-G74 WeakPolarHBondContact O-CA 3.28Å; T71-G74 PolarHBondContact O-N 3.03Å; T71-E75 PolarHBondContact N-O 3.27Å; T71-E75 PolarHBondContact O-N 2.87Å; T71-E75 PolarHBondContact OG1-O 3.04Å; T71-E75 VanDerWaalsContact OG1-O 3.13Å; T71-Q77 HydrophobicContact CG2-CB 4.23Å
72	P	65.8	Low	80	Confident	132 Å²	132	54.5 Å²	54.5	86%	0.857	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	94.4	172.6	-6.9	24.8	0	0	0	108.9
73	P	60.8	Low	80.5	Confident	123 Å²	123	53.2 Å²	53.2	80%	0.799	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn		-125	14.9	74.8	36	-26.1	0	0	0	115.4	T71	T71-P73 VanDerWaalsContact O-N 3.1Å
74	G	66.5	Low	80.3	Confident	42 Å²	42	53.9 Å²	53.9	43%	0.433	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	125.3	1	179.4	0	0	0	0	0	114.3	K70 T71	K70-G74 WeakPolarHBondContact CE-O 3.33Å; T71-G74 WeakPolarHBondContact O-CA 3.28Å; T71-G74 PolarHBondContact O-N 3.03Å
75	E	74.7	Confident	79.4	Confident	141 Å²	141	56.4 Å²	56.4	66%	0.659	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	134.6	-172.9	-170.4	166.3	-158.6	0	0	112.1	T71	T71-E75 PolarHBondContact N-O 3.27Å; T71-E75 PolarHBondContact O-N 2.87Å; T71-E75 PolarHBondContact OG1-O 3.04Å; T71-E75 VanDerWaalsContact OG1-O 3.13Å
76	L	76.5	Confident	77.9	Confident	71 Å²	71	58.2 Å²	58.2	37%	0.372	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	106.8	-175.5	-73.4	164.9	0	0	0	111	W68 K70 F126	W68-L76 HydrophobicContact CB-CD2 4.5Å; K70-L76 HydrophobicContact CB-CD2 3.93Å; K70-L76 HydrophobicContact CD-CD2 4.23Å; K70-L76 HydrophobicContact CG-CD2 3.99Å; K70-L76 HydrophobicContact CG-CG 4.47Å; L76-F126 HydrophobicContact CD1-CE1 4Å; L76-F126 HydrophobicContact CD1-CZ 3.62Å; L76-F126 HydrophobicContact CD2-CE1 4.38Å; L76-F126 HydrophobicContact CD2-CZ 3.97Å; L76-F126 HydrophobicContact CG-CZ 4.42Å
77	Q	79.2	Confident	76.3	Confident	108 Å²	108	65.1 Å²	65.1	51%	0.505	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128	174.7	-171.9	170	5.2	0	0	110.2	W68 E69 T71 V79	W68-Q77 CarbonylContact C-O 3.57Å; W68-Q77 WeakPolarHBondContact CA-O 3.29Å; E69-Q77 PolarHBondContact N-O 3.44Å; E69-Q77 PolarHBondContact O-N 3.39Å; T71-Q77 HydrophobicContact CG2-CB 4.23Å; Q77-V79 PolarHBondContact O-N 3.19Å
78	L	81.3	Confident	74.3	Confident	47 Å²	47	63.8 Å²	63.8	25%	0.246	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.3	172.8	171.6	61.8	0	0	0	110.3	T31 W68 Q81	T31-L78 HydrophobicContact CG2-CD2 3.9Å; T31-L78 HydrophobicContact CG2-CG 4.32Å; W68-L78 HydrophobicContact CD2-CD1 4.34Å; W68-L78 HydrophobicContact CG-CD1 4.45Å; W68-L78 HydrophobicContact CZ2-CD1 4.33Å; L78-Q81 HydrophobicContact CD1-CG 3.81Å
79	V	82.1	Confident	72.3	Confident	51 Å²	51	67.5 Å²	67.5	31%	0.309	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-53.3	178.6	-176.6	0	0	0	0	110.7	L67 E69 Q77 Y112	L67-V79 HydrophobicContact CD2-CB 4.3Å; L67-V79 HydrophobicContact CD2-CG1 4.15Å; L67-V79 HydrophobicContact CG-CB 4.2Å; L67-V79 WeakPolarHBondContact O-CA 3.36Å; L67-V79 WeakPolarHBondContact O-CB 3.48Å; L67-V79 PolarHBondContact O-N 3.06Å; E69-V79 HydrophobicContact CB-CG2 3.61Å; Q77-V79 PolarHBondContact O-N 3.19Å; V79-Y112 HydrophobicContact CG2-CE1 4.42Å
80	K	84.4	Confident	70.5	Confident	69 Å²	69	67.9 Å²	67.9	30%	0.3	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.6	-176.8	-165.3	155.9	-172.7	143.8	0	113.1	T31 D32 F65 L67	T31-K80 WeakPolarHBondContact O-CA 3.28Å; D32-K80 WeakPolarHBondContact OD1-CE 3.35Å; D32-K80 IonicContact OD1-NZ 3.59Å; D32-K80 PolarHBondContact OD1-NZ 2.73Å; D32-K80 WeakPolarHBondContact OD2-CE 3.38Å; D32-K80 IonicContact OD2-NZ 3.7Å; D32-K80 PolarHBondContact OD2-NZ 2.77Å; F65-K80 HydrophobicContact CE2-CG 4.37Å; F65-K80 HydrophobicContact CZ-CG 4.23Å; L67-K80 PolarHBondContact N-O 2.75Å; L67-K80 PolarHBondContact O-N 2.86Å; L67-K80 VanDerWaalsContact O-N 3.15Å
81	Q	88.9	Confident	69.3	Low	11 Å²	11	72.3 Å²	72.3	5%	0.051	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.6	174.2	-91	162.9	-15.1	0	0	110	F30 T31 F65 L78 N123 V124	F30-Q81 WeakPolarHBondContact CD2-O 3.45Å; T31-Q81 PolarHBondContact N-O 3.01Å; T31-Q81 PolarHBondContact O-N 2.81Å; T31-Q81 VanDerWaalsContact O-N 3.16Å; T31-Q81 PolarHBondContact OG1-OE1 2.93Å; T31-Q81 VanDerWaalsContact OG1-OE1 3.13Å; F65-Q81 WeakPolarHBondContact O-CA 3.39Å; L78-Q81 HydrophobicContact CD1-CG 3.81Å; Q81-N123 PolarHBondContact NE2-O 3.13Å; Q81-V124 PolarHBondContact NE2-O 2.83Å
82	G	86.3	Confident	68.6	Low	4 Å²	4	72.4 Å²	72.4	4%	0.041	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-152.3	172.7	0	0	0	0	0	114.4	A29 F65	A29-G82 PolarHBondContact O-N 3.09Å; F65-G82 WeakPolarHBondContact CD1-O 3.2Å; F65-G82 PolarHBondContact N-O 3.42Å; F65-G82 PolarHBondContact O-N 3.41Å
83	C	84.9	Confident	68.7	Low	10 Å²	10	67.4 Å²	67.4	7%	0.068	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131	178.7	-53.8	0	0	0	0	111.8	C58 K62 F65	C58-C83 WeakPolarHBondContact CA-SG 3.38Å; C58-C83 HydrophobicContact CB-CB 3.82Å; C58-C83 WeakPolarHBondContact CB-SG 3.28Å; C58-C83 WeakPolarHBondContact SG-CA 3.22Å; C58-C83 WeakPolarHBondContact SG-CB 3.17Å; C58-C83 CovalentContact SG-SG 2.03Å; C58-C83 PolarHBondContact SG-SG 3.03Å; K62-C83 HydrophobicContact CD-CB 4.32Å; F65-C83 WeakPolarHBondContact CE1-O 3.18Å
84	W	81.8	Confident	68.8	Low	72 Å²	72	69.7 Å²	69.7	27%	0.273	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127	170	-163.3	-105.5	0	0	0	110.2	K62 H63 F65 F114 D965	K62-W84 WeakPolarHBondContact CB-O 3.26Å; H63-W84 PolarHBondContact N-O 2.89Å; H63-W84 PolarHBondContact O-N 2.97Å; F65-W84 HydrophobicContact CB-CB 4.22Å; F65-W84 HydrophobicContact CB-CE3 4.24Å; F65-W84 HydrophobicContact CD1-CB 4.05Å; F65-W84 AromaticContact CD1-CE3 3.78Å; F65-W84 HydrophobicContact CD1-CE3 3.78Å; F65-W84 HydrophobicContact CD2-CE3 4.31Å; F65-W84 HydrophobicContact CE1-CE3 4.2Å; F65-W84 AromaticContact CG-CE3 3.84Å; F65-W84 HydrophobicContact CG-CE3 3.84Å; W84-F114 HydrophobicContact CD2-CZ 4.21Å; W84-F114 HydrophobicContact CE3-CE2 4.14Å; W84-F114 AromaticContact CE3-CZ 4Å; W84-F114 HydrophobicContact CE3-CZ 4Å; W84-F114 HydrophobicContact CH2-CE2 4.14Å; W84-F114 AromaticContact CH2-CZ 3.89Å; W84-F114 HydrophobicContact CH2-CZ 3.89Å; W84-F114 HydrophobicContact CZ2-CZ 4.09Å; W84-F114 AromaticContact CZ3-CE2 3.79Å; W84-F114 HydrophobicContact CZ3-CE2 3.79Å; W84-F114 AromaticContact CZ3-CZ 3.84Å; W84-F114 HydrophobicContact CZ3-CZ 3.84Å; W84-D965 WeakPolarHBondContact CZ2-O 3.46Å
85	S	68.3	Low	69.2	Low	53 Å²	53	71.7 Å²	71.7	37%	0.371	37%	0.372	S	S	.	.			trans	-127.3	1.8	-165.8	50.3	0	0	0	0	115.4	E46 K62	E46-S85 WeakPolarHBondContact OE1-CB 3.41Å; E46-S85 PolarHBondContact OE1-OG 2.72Å; K62-S85 VanDerWaalsContact CE-CB 3.48Å
86	H	58.8	Low	69.4	Low	61 Å²	61	70.2 Å²	70.2	28%	0.282	37%	0.369	S	S	.	.			trans	-98.6	146.4	-169.8	-128.3	-98.8	0	0	0	114.1	P964 D965 G966	H86-P964 WeakPolarHBondContact O-CA 3.3Å; H86-P964 VanDerWaalsContact O-CB 3.26Å; H86-P964 WeakPolarHBondContact O-CB 3.32Å; H86-D965 VanDerWaalsContact CB-C 3.47Å; H86-D965 WeakPolarHBondContact CB-O 3.4Å; H86-D965 VanDerWaalsContact CG-C 3.43Å; H86-D965 VanDerWaalsContact ND1-C 3.29Å; H86-G966 PolarHBondContact ND1-N 3.47Å
87	L	53.5	Low	69.6	Low	145 Å²	145	74.9 Å²	74.9	76%	0.759	38%	0.381	S	S	*	.			trans	-135.7	56.3	-175	-74.9	157.8	0	0	0	110.8	R963	L87-R963 CarbonylContact C-O 3.53Å; L87-R963 WeakPolarHBondContact CA-O 3.3Å; L87-R963 VanDerWaalsContact O-CB 3.31Å; L87-R963 WeakPolarHBondContact O-CB 3.5Å
88	A	43.8	Very low	69.8	Low	18 Å²	18	69.8 Å²	69.8	15%	0.149	36%	0.358	C	S	.	.	S	Bend	trans	-123.8	-10.1	-174.4	0	0	0	0	0	124.4	R963 P964 D965	A88-R963 VanDerWaalsContact C-CG 3.4Å; A88-R963 VanDerWaalsContact CA-CB 3.44Å; A88-R963 PolarHBondContact N-O 3.38Å; A88-R963 WeakPolarHBondContact O-CD 3.36Å; A88-R963 VanDerWaalsContact O-CG 3.29Å; A88-R963 WeakPolarHBondContact O-CG 3.03Å; A88-R963 PolarHBondContact O-NE 2.82Å; A88-R963 PolarHBondContact O-NH1 2.93Å; A88-R963 PolarHBondContact O-NH2 2.78Å; A88-P964 VanDerWaalsContact N-C 3.27Å; A88-D965 HydrophobicContact CB-CB 3.25Å
89	D	43.4	Very low	69.8	Low	92 Å²	92	68.8 Å²	68.8	49%	0.492	35%	0.354	S	S	.	.	S	Bend	trans	-160.8	149.6	157.7	-90.9	-29.8	0	0	0	116.3	H91 R963 P964	D89-H91 PolarHBondContact O-N 2.91Å; D89-R963 VanDerWaalsContact CA-CA 3.42Å; D89-R963 IonicContact OD1-CZ 3.23Å; D89-R963 IonicContact OD1-NE 3.73Å; D89-R963 PolarHBondContact OD1-NE 3.14Å; D89-R963 IonicContact OD1-NH2 3.54Å; D89-R963 PolarHBondContact OD1-NH2 2.91Å; D89-R963 IonicContact OD2-CZ 2.74Å; D89-R963 IonicContact OD2-NH2 2.67Å; D89-R963 PolarHBondContact OD2-NH2 3.13Å; D89-P964 CarbonylContact C-O 3.51Å; D89-P964 WeakPolarHBondContact CA-O 3.36Å; D89-P964 PolarHBondContact N-O 3.03Å; D89-P964 WeakPolarHBondContact O-CD 3.48Å
90	N	46.1	Very low	69.5	Low	68 Å²	68	66.5 Å²	66.5	36%	0.364	34%	0.34	S	S	.	.	S	Bend	trans	-63.4	24.2	-130.5	-150.1	21.8	0	0	0	126.2	L961 V962	N90-L961 PolarHBondContact ND2-O 2.83Å; N90-L961 VanDerWaalsContact ND2-O 3.11Å; N90-L961 VanDerWaalsContact OD1-C 3.27Å; N90-L961 WeakPolarHBondContact OD1-CB 3.46Å; N90-V962 WeakPolarHBondContact CA-O 3.43Å; N90-V962 WeakPolarHBondContact CB-O 3.06Å; N90-V962 VanDerWaalsContact CG-O 3.25Å; N90-V962 PolarHBondContact N-O 2.03Å; N90-V962 VanDerWaalsContact N-O 3.13Å; N90-V962 WeakPolarHBondContact OD1-CA 3.47Å; N90-V962 PolarHBondContact OD1-N 3.34Å; N90-V962 PolarHBondContact OD1-O 3.37Å; N90-V962 VanDerWaalsContact OD1-O 3.04Å
91	H	53.9	Low	68.6	Low	165 Å²	165	67.8 Å²	67.8	76%	0.764	35%	0.354	S	S	*	.			trans	-111.2	107	-179	-68	-81.5	0	0	0	114.9	D89 P964	D89-H91 PolarHBondContact O-N 2.91Å; H91-P964 WeakPolarHBondContact O-CD 3.26Å; H91-P964 WeakPolarHBondContact O-CG 3.37Å
92	G	58.9	Low	67.1	Low	38 Å²	38	71 Å²	71	39%	0.392	38%	0.377	S	S	.	.			trans	-74.9	144.2	173.8	0	0	0	0	0	113.5	H94	G92-H94 PolarHBondContact O-CD2 2.72Å; G92-H94 PolarHBondContact O-N 3.26Å
93	C	69.6	Low	65.7	Low	27 Å²	27	77.1 Å²	77.1	18%	0.182	41%	0.408	C	S	.	.			trans	-78.6	82.1	178	-47.4	0	0	0	0	110.6	H63 C116	H63-C93 HydrophobicContact CB-CB 4.28Å; C93-C116 HydrophobicContact CB-CB 3.84Å; C93-C116 WeakPolarHBondContact CB-SG 3.45Å; C93-C116 WeakPolarHBondContact SG-CB 3.44Å; C93-C116 CovalentContact SG-SG 2.04Å; C93-C116 PolarHBondContact SG-SG 2.86Å
94	H	62.3	Low	64.2	Low	170 Å²	170	79.2 Å²	79.2	79%	0.787	42%	0.422	S	S	*	.			trans	-87.3	-11.5	-171.5	-68.3	-65.2	0	0	0	115.3	G92	G92-H94 PolarHBondContact O-CD2 2.72Å; G92-H94 PolarHBondContact O-N 3.26Å
95	D	74.5	Confident	62.5	Low	84 Å²	84	80.7 Å²	80.7	45%	0.449	44%	0.441	S	S	.	.			trans	-88.3	136.4	178.6	-71.6	-66.6	0	0	0	112.6	R97 C117 G118	D95-R97 WeakPolarHBondContact CB-O 3.42Å; D95-R97 PolarHBondContact O-N 2.71Å; D95-C117 CarbonylContact O-C 3.54Å; D95-C117 WeakPolarHBondContact O-CA 3.39Å; D95-C117 WeakPolarHBondContact O-CB 3.35Å; D95-G118 PolarHBondContact O-N 2.84Å
96	D	78.3	Confident	61.6	Low	111 Å²	111	87.6 Å²	87.6	59%	0.594	47%	0.467	S	S	*	.	S	Bend	trans	-67	-22.5	172.2	-77.1	-52.7	0	0	0	113.2	S119 C122	D96-S119 WeakPolarHBondContact O-CB 3.26Å; D96-S119 PolarHBondContact O-N 3.44Å; D96-S119 PolarHBondContact OD1-OG 3.04Å; D96-C122 WeakPolarHBondContact O-CB 3.35Å
97	R	80.5	Confident	61.1	Low	168 Å²	168	92.1 Å²	92.1	63%	0.634	49%	0.492	S	S	*	.	S	Bend	trans	-114.2	153.6	-179.6	81.5	-173.1	78	169.3	5.1	110.7	D95 V99 C117	D95-R97 WeakPolarHBondContact CB-O 3.42Å; D95-R97 PolarHBondContact O-N 2.71Å; R97-V99 HydrophobicContact CG-CG2 3.45Å; R97-V99 VanDerWaalsContact CG-CG2 3.45Å; R97-V99 PolarHBondContact O-N 3Å; R97-V99 VanDerWaalsContact O-N 3.14Å; R97-C117 WeakPolarHBondContact O-CB 3.43Å
98	C	85.2	Confident	60.9	Low	2 Å²	2	92.4 Å²	92.4	1%	0.014	49%	0.489	C	S	.	.			trans	-73.9	104.9	176.4	-142.8	0	0	0	0	110.4	C115 C117 C122 N125 F126 T127	C98-C115 HydrophobicContact CB-CB 4.01Å; C98-C115 WeakPolarHBondContact CB-SG 3.32Å; C98-C115 WeakPolarHBondContact SG-CB 3.31Å; C98-C115 PolarHBondContact SG-O 3.23Å; C98-C115 CovalentContact SG-SG 2.03Å; C98-C115 PolarHBondContact SG-SG 3.37Å; C98-C117 HydrophobicContact CB-CB 4.43Å; C98-C122 WeakPolarHBondContact CB-O 3.43Å; C98-N125 WeakPolarHBondContact CB-O 3.06Å; C98-F126 HydrophobicContact CB-CB 4.36Å; C98-F126 CarbonylContact O-C 3.5Å; C98-F126 VanDerWaalsContact O-CA 3.26Å; C98-F126 WeakPolarHBondContact O-CA 3.31Å; C98-T127 PolarHBondContact O-N 3.26Å
99	V	81	Confident	61.4	Low	25 Å²	25	99.1 Å²	99.1	15%	0.152	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.5	176.2	-168.1	0	0	0	0	110	R97 T101 C115 T127 D129	R97-V99 HydrophobicContact CG-CG2 3.45Å; R97-V99 VanDerWaalsContact CG-CG2 3.45Å; R97-V99 PolarHBondContact O-N 3Å; R97-V99 VanDerWaalsContact O-N 3.14Å; V99-T101 HydrophobicContact CB-CG2 4.22Å; V99-T101 HydrophobicContact CG1-CG2 3.68Å; V99-C115 WeakPolarHBondContact O-CB 3.22Å; V99-T127 WeakPolarHBondContact CA-O 3.21Å; V99-D129 HydrophobicContact CG1-CB 4.37Å
100	V	76.3	Confident	62.1	Low	4 Å²	4	96.1 Å²	96.1	2%	0.024	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	99.9	174.6	-178.5	0	0	0	0	108.1	H113 C115 F126 T127	V100-H113 HydrophobicContact CG1-CB 4.44Å; V100-H113 HydrophobicContact CG2-CB 4.27Å; V100-C115 HydrophobicContact CG2-CB 3.97Å; V100-F126 HydrophobicContact CB-CD2 4.14Å; V100-F126 HydrophobicContact CG2-CB 4.07Å; V100-F126 HydrophobicContact CG2-CD2 3.37Å; V100-F126 HydrophobicContact CG2-CE2 3.94Å; V100-F126 HydrophobicContact CG2-CG 3.89Å; V100-T127 PolarHBondContact N-O 2.73Å
101	T	63.5	Low	63.2	Low	96 Å²	96	94.8 Å²	94.8	59%	0.589	51%	0.508	S	S	*	.			trans	-101.1	-13.2	-171.9	53.3	0	0	0	0	114.1	V99	V99-T101 HydrophobicContact CB-CG2 4.22Å; V99-T101 HydrophobicContact CG1-CG2 3.68Å
102	S	59	Low	64.4	Low	77 Å²	77	92.1 Å²	92.1	54%	0.538	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-92.5	118.2	-179.2	59	0	0	0	0	112.1
103	L	56.4	Low	65.4	Low	134 Å²	134	90.9 Å²	90.9	70%	0.702	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-67.1	132.9	164.5	-157.6	77.2	0	0	0	109	F130	L103-F130 HydrophobicContact CD1-CD1 3.83Å; L103-F130 HydrophobicContact CD1-CE1 3.91Å; L103-F130 HydrophobicContact CD1-CG 4.3Å; L103-F130 HydrophobicContact CD1-CZ 4.43Å
104	P	52.8	Low	66.2	Low	53 Å²	53	93.5 Å²	93.5	34%	0.344	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-65	136.3	-167.9	-25.8	34.8	0	0	0	114.6	G110	P104-G110 VanDerWaalsContact CB-CA 3.49Å
105	P	46.8	Very low	67.3	Low	104 Å²	104	85.6 Å²	85.6	68%	0.675	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-67.2	138.7	173.1	28.1	-33.7	0	0	0	110.8	I107	P105-I107 PolarHBondContact O-N 3.09Å
106	Q	49.6	Very low	67.9	Low	197 Å²	197	82.5 Å²	82.5	92%	0.921	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	9.2	-171.5	-94.3	-151	3.6	0	0	116.9
107	I	48.8	Very low	68.3	Low	157 Å²	157	77.2 Å²	77.2	81%	0.805	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-15.1	-174.6	-59.8	177.5	0	0	0	111.9	P105	P105-I107 PolarHBondContact O-N 3.09Å
108	Q	49	Very low	68.3	Low	151 Å²	151	69.8 Å²	69.8	71%	0.706	38%	0.38	S	S	*	.	S	Bend	trans	-142.9	58.8	176.4	-65.5	-170.7	1.7	0	0	114	G110	Q108-G110 PolarHBondContact O-N 2.92Å
109	N	54.3	Low	68.2	Low	158 Å²	158	72 Å²	72	85%	0.845	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	1.3	163.2	-80.2	10	0	0	0	121.1	T111	N109-T111 PolarHBondContact O-N 3.48Å
110	G	58.5	Low	68.3	Low	30 Å²	30	75.5 Å²	75.5	31%	0.309	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	22	170.1	0	0	0	0	0	116.9	P104 Q108	P104-G110 VanDerWaalsContact CB-CA 3.49Å; Q108-G110 PolarHBondContact O-N 2.92Å
111	T	68.5	Low	68.6	Low	40 Å²	40	78.7 Å²	78.7	25%	0.245	43%	0.429	C	S	.	.			trans	-85.9	-21.6	-180	50.3	0	0	0	0	114.2	E69 K70 N109	E69-T111 CarbonylContact C-O 3.53Å; E69-T111 WeakPolarHBondContact CA-O 3.39Å; K70-T111 WeakPolarHBondContact CB-O 3.45Å; K70-T111 PolarHBondContact N-O 2.82Å; K70-T111 WeakPolarHBondContact O-CG2 3.02Å; N109-T111 PolarHBondContact O-N 3.48Å
112	Y	77.9	Confident	69.7	Low	109 Å²	109	75 Å²	75	43%	0.427	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.3	-174.4	-66.1	-74	0	0	0	113.2	L67 W68 E69 V79	L67-Y112 HydrophobicContact CD1-CD1 4.45Å; W68-Y112 WeakPolarHBondContact O-CA 3.49Å; E69-Y112 HydrophobicContact CB-CD1 3.87Å; E69-Y112 HydrophobicContact CB-CE1 3.58Å; E69-Y112 VanDerWaalsContact CD-CE1 3.44Å; E69-Y112 VanDerWaalsContact CD-CZ 3.44Å; E69-Y112 HydrophobicContact CG-CD1 4.07Å; E69-Y112 HydrophobicContact CG-CE1 3.55Å; E69-Y112 PolarHBondContact OE1-OH 2.77Å; E69-Y112 WeakPolarHBondContact OE2-CE1 3.48Å; E69-Y112 VanDerWaalsContact OE2-CZ 3.25Å; E69-Y112 PolarHBondContact OE2-OH 2.62Å; V79-Y112 HydrophobicContact CG2-CE1 4.42Å
113	H	81.3	Confident	71.1	Confident	12 Å²	12	71.4 Å²	71.4	6%	0.056	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.2	178.2	-64.7	-105.9	0	0	0	109.3	L67 W68 V100 F126 E128	L67-H113 WeakPolarHBondContact CA-O 3.47Å; W68-H113 HydrophobicContact CB-CB 4.49Å; W68-H113 PolarHBondContact N-O 2.91Å; W68-H113 PolarHBondContact O-N 3.24Å; V100-H113 HydrophobicContact CG1-CB 4.44Å; V100-H113 HydrophobicContact CG2-CB 4.27Å; H113-F126 HydrophobicContact CB-CE1 4.3Å; H113-F126 HydrophobicContact CB-CE2 4.09Å; H113-F126 HydrophobicContact CB-CZ 3.81Å; H113-F126 AromaticContact CG-CZ 3.85Å; H113-F126 AromaticContact ND1-CE2 3.75Å; H113-F126 AromaticContact ND1-CZ 3.89Å; H113-E128 IonicContact CE1-OE1 2.98Å; H113-E128 PolarHBondContact CE1-OE1 3.47Å; H113-E128 IonicContact ND1-OE1 3.38Å; H113-E128 PolarHBondContact ND1-OE1 3.32Å; H113-E128 IonicContact NE2-OE1 3.97Å
114	F	85.3	Confident	72.4	Confident	82 Å²	82	68.9 Å²	68.9	36%	0.36	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.7	-179.2	174.7	-93.3	0	0	0	111	F65 L67 W84 C116	F65-F114 HydrophobicContact CB-CE2 4Å; F65-F114 HydrophobicContact CB-CZ 4.22Å; F65-F114 HydrophobicContact CD2-CD2 4.37Å; F65-F114 AromaticContact CD2-CE2 3.73Å; F65-F114 HydrophobicContact CD2-CE2 3.73Å; F65-F114 HydrophobicContact CG-CE2 4.15Å; L67-F114 HydrophobicContact CD1-CB 4.08Å; L67-F114 HydrophobicContact CD1-CD2 4.44Å; W84-F114 HydrophobicContact CD2-CZ 4.21Å; W84-F114 HydrophobicContact CE3-CE2 4.14Å; W84-F114 AromaticContact CE3-CZ 4Å; W84-F114 HydrophobicContact CE3-CZ 4Å; W84-F114 HydrophobicContact CH2-CE2 4.14Å; W84-F114 AromaticContact CH2-CZ 3.89Å; W84-F114 HydrophobicContact CH2-CZ 3.89Å; W84-F114 HydrophobicContact CZ2-CZ 4.09Å; W84-F114 AromaticContact CZ3-CE2 3.79Å; W84-F114 HydrophobicContact CZ3-CE2 3.79Å; W84-F114 AromaticContact CZ3-CZ 3.84Å; W84-F114 HydrophobicContact CZ3-CZ 3.84Å; F114-C116 HydrophobicContact CE1-CB 4.4Å; F114-C116 HydrophobicContact CZ-CB 4.46Å
115	C	86.1	Confident	73.7	Confident	4 Å²	4	71.8 Å²	71.8	3%	0.027	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	159.3	171.2	54.6	0	0	0	0	111.8	F65 G66 C98 V99 V100 F126	F65-C115 VanDerWaalsContact CA-O 3.32Å; F65-C115 WeakPolarHBondContact CA-O 3.41Å; F65-C115 WeakPolarHBondContact CB-O 3.26Å; G66-C115 PolarHBondContact N-O 3.25Å; G66-C115 VanDerWaalsContact N-O 3.09Å; G66-C115 PolarHBondContact O-N 2.91Å; C98-C115 HydrophobicContact CB-CB 4.01Å; C98-C115 WeakPolarHBondContact CB-SG 3.32Å; C98-C115 WeakPolarHBondContact SG-CB 3.31Å; C98-C115 PolarHBondContact SG-O 3.23Å; C98-C115 CovalentContact SG-SG 2.03Å; C98-C115 PolarHBondContact SG-SG 3.37Å; V99-C115 WeakPolarHBondContact O-CB 3.22Å; V100-C115 HydrophobicContact CG2-CB 3.97Å; C115-F126 VanDerWaalsContact SG-CB 3.51Å
116	C	87.2	Confident	75.4	Confident	18 Å²	18	67.8 Å²	67.8	12%	0.122	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.5	-177.3	176.5	0	0	0	0	109.5	H63 C64 C93 F114	H63-C116 VanDerWaalsContact CB-SG 3.57Å; C64-C116 CarbonylContact O-C 3.54Å; C64-C116 VanDerWaalsContact O-CA 3.27Å; C64-C116 WeakPolarHBondContact O-CA 3.43Å; C93-C116 HydrophobicContact CB-CB 3.84Å; C93-C116 WeakPolarHBondContact CB-SG 3.45Å; C93-C116 WeakPolarHBondContact SG-CB 3.44Å; C93-C116 CovalentContact SG-SG 2.04Å; C93-C116 PolarHBondContact SG-SG 2.86Å; F114-C116 HydrophobicContact CE1-CB 4.4Å; F114-C116 HydrophobicContact CZ-CB 4.46Å
117	C	86.3	Confident	76.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	163.6	-168.1	56.1	0	0	0	0	115.7	H63 C64 D95 R97 C98 C122	H63-C117 WeakPolarHBondContact CB-O 3.49Å; C64-C117 PolarHBondContact N-O 3.16Å; C64-C117 VanDerWaalsContact N-O 3.1Å; C64-C117 PolarHBondContact O-N 2.97Å; D95-C117 CarbonylContact O-C 3.54Å; D95-C117 WeakPolarHBondContact O-CA 3.39Å; D95-C117 WeakPolarHBondContact O-CB 3.35Å; R97-C117 WeakPolarHBondContact O-CB 3.43Å; C98-C117 HydrophobicContact CB-CB 4.43Å; C117-C122 HydrophobicContact CB-CB 3.91Å; C117-C122 WeakPolarHBondContact CB-SG 3.27Å; C117-C122 WeakPolarHBondContact SG-CB 3.38Å; C117-C122 CovalentContact SG-SG 2.03Å; C117-C122 PolarHBondContact SG-SG 3.45Å
118	G	81.2	Confident	78.1	Confident	12 Å²	12	57.8 Å²	57.8	12%	0.124	31%	0.311	C	S	.	.	S	Bend	trans	-103.6	1.2	-164.8	0	0	0	0	0	118.8	R26 D95	R26-G118 PolarHBondContact NE-O 2.91Å; R26-G118 PolarHBondContact NH2-O 3.17Å; D95-G118 PolarHBondContact O-N 2.84Å
119	S	81.7	Confident	78.9	Confident	48 Å²	48	56 Å²	56	34%	0.336	31%	0.306	S	S	.	.	S	Bend	trans	-112.1	162.5	178.3	-77.4	0	0	0	0	113.1	D96 M121 C122	D96-S119 WeakPolarHBondContact O-CB 3.26Å; D96-S119 PolarHBondContact O-N 3.44Å; D96-S119 PolarHBondContact OD1-OG 3.04Å; S119-M121 PolarHBondContact O-N 2.84Å; S119-C122 VanDerWaalsContact O-CB 3.3Å; S119-C122 WeakPolarHBondContact O-CB 3.27Å; S119-C122 PolarHBondContact O-N 2.91Å; S119-C122 PolarHBondContact O-SG 3.13Å
120	D	84.1	Confident	79.3	Confident	99 Å²	99	52 Å²	52	53%	0.529	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	137.4	172.6	-68.8	-56.3	0	0	0	111.1	R26 E27 C122	R26-D120 WeakPolarHBondContact CA-OD1 3.48Å; R26-D120 WeakPolarHBondContact CG-OD1 3.31Å; E27-D120 PolarHBondContact N-OD1 2.63Å; E27-D120 CarbonylContact O-C 3.49Å; E27-D120 WeakPolarHBondContact O-CA 3.41Å; D120-C122 PolarHBondContact O-N 3.44Å
121	M	83.5	Confident	79	Confident	72 Å²	72	56.5 Å²	56.5	36%	0.355	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	15.8	-179	-60.4	-62.8	-71.5	0	0	115.2	E27 A29 T55 S119 N123 V124	E27-M121 PolarHBondContact O-N 3.19Å; A29-M121 HydrophobicContact CB-CE 3.98Å; A29-M121 PolarHBondContact N-SD 3.08Å; A29-M121 VanDerWaalsContact N-SD 3.42Å; T55-M121 HydrophobicContact CG2-CE 3.69Å; T55-M121 HydrophobicContact CG2-SD 3.67Å; S119-M121 PolarHBondContact O-N 2.84Å; M121-N123 PolarHBondContact O-N 2.96Å; M121-V124 HydrophobicContact CB-CG2 4.26Å; M121-V124 HydrophobicContact CE-CG2 3.78Å; M121-V124 VanDerWaalsContact O-CG2 3.29Å; M121-V124 WeakPolarHBondContact O-CG2 3.31Å; M121-V124 PolarHBondContact O-N 3.05Å
122	C	85.1	Confident	78	Confident	19 Å²	19	60.8 Å²	60.8	13%	0.128	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.6	-174.4	68.5	0	0	0	0	114.2	D96 C98 C117 S119 D120	D96-C122 WeakPolarHBondContact O-CB 3.35Å; C98-C122 WeakPolarHBondContact CB-O 3.43Å; C117-C122 HydrophobicContact CB-CB 3.91Å; C117-C122 WeakPolarHBondContact CB-SG 3.27Å; C117-C122 WeakPolarHBondContact SG-CB 3.38Å; C117-C122 CovalentContact SG-SG 2.03Å; C117-C122 PolarHBondContact SG-SG 3.45Å; S119-C122 VanDerWaalsContact O-CB 3.3Å; S119-C122 WeakPolarHBondContact O-CB 3.27Å; S119-C122 PolarHBondContact O-N 2.91Å; S119-C122 PolarHBondContact O-SG 3.13Å; D120-C122 PolarHBondContact O-N 3.44Å
123	N	88.2	Confident	76.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	3.8	-177.7	67.6	-34.3	0	0	0	114.8	A29 C64 F65 W68 Q81 M121 N125	A29-N123 WeakPolarHBondContact CB-OD1 3.34Å; A29-N123 PolarHBondContact N-OD1 3.08Å; A29-N123 PolarHBondContact O-ND2 3.21Å; C64-N123 HydrophobicContact CB-CB 3.73Å; F65-N123 WeakPolarHBondContact O-CB 3.47Å; F65-N123 PolarHBondContact O-ND2 3.01Å; W68-N123 WeakPolarHBondContact CH2-O 3.27Å; Q81-N123 PolarHBondContact NE2-O 3.13Å; M121-N123 PolarHBondContact O-N 2.96Å; N123-N125 VanDerWaalsContact C-N 3.28Å; N123-N125 PolarHBondContact O-N 3.47Å
124	V	84.3	Confident	74.3	Confident	82 Å²	82	66.3 Å²	66.3	50%	0.497	38%	0.384	S	S	.	.	S	Bend	trans	-59.9	-37.3	179.7	168.4	0	0	0	0	112.4	A29 Q81 M121	A29-V124 HydrophobicContact CB-CG2 3.83Å; Q81-V124 PolarHBondContact NE2-O 2.83Å; M121-V124 HydrophobicContact CB-CG2 4.26Å; M121-V124 HydrophobicContact CE-CG2 3.78Å; M121-V124 VanDerWaalsContact O-CG2 3.29Å; M121-V124 WeakPolarHBondContact O-CG2 3.31Å; M121-V124 PolarHBondContact O-N 3.05Å
125	N	81.2	Confident	72.4	Confident	113 Å²	113	68.4 Å²	68.4	60%	0.604	41%	0.406	S	S	*	.	S	Bend	trans	-147.7	165.8	177.7	-167.5	18.2	0	0	0	109.8	C98 N123	C98-N125 WeakPolarHBondContact CB-O 3.06Å; N123-N125 VanDerWaalsContact C-N 3.28Å; N123-N125 PolarHBondContact O-N 3.47Å
126	F	82.4	Confident	70.2	Confident	21 Å²	21	74.9 Å²	74.9	9%	0.092	45%	0.445	C	S	.	.			trans	-121.7	166	-179.4	72.4	-89.6	0	0	0	113.9	W68 L76 C98 V100 H113 C115 E128	W68-F126 HydrophobicContact CB-CE1 3.99Å; W68-F126 AromaticContact CD2-CD1 3.54Å; W68-F126 HydrophobicContact CD2-CD1 3.54Å; W68-F126 AromaticContact CD2-CE1 3.71Å; W68-F126 HydrophobicContact CD2-CE1 3.71Å; W68-F126 AromaticContact CE2-CD1 3.86Å; W68-F126 AromaticContact CE3-CD1 3.48Å; W68-F126 HydrophobicContact CE3-CD1 3.48Å; W68-F126 VanDerWaalsContact CE3-CD1 3.48Å; W68-F126 AromaticContact CE3-CE1 3.93Å; W68-F126 HydrophobicContact CE3-CE1 3.93Å; W68-F126 HydrophobicContact CE3-CG 4.29Å; W68-F126 HydrophobicContact CG-CD1 4.1Å; W68-F126 AromaticContact CG-CE1 3.75Å; W68-F126 HydrophobicContact CG-CE1 3.75Å; W68-F126 HydrophobicContact CH2-CB 4.22Å; W68-F126 HydrophobicContact CH2-CD1 4.09Å; W68-F126 HydrophobicContact CZ2-CD1 4.15Å; W68-F126 HydrophobicContact CZ3-CB 4.05Å; W68-F126 AromaticContact CZ3-CD1 3.76Å; W68-F126 HydrophobicContact CZ3-CD1 3.76Å; W68-F126 HydrophobicContact CZ3-CG 4.27Å; L76-F126 HydrophobicContact CD1-CE1 4Å; L76-F126 HydrophobicContact CD1-CZ 3.62Å; L76-F126 HydrophobicContact CD2-CE1 4.38Å; L76-F126 HydrophobicContact CD2-CZ 3.97Å; L76-F126 HydrophobicContact CG-CZ 4.42Å; C98-F126 HydrophobicContact CB-CB 4.36Å; C98-F126 CarbonylContact O-C 3.5Å; C98-F126 VanDerWaalsContact O-CA 3.26Å; C98-F126 WeakPolarHBondContact O-CA 3.31Å; V100-F126 HydrophobicContact CB-CD2 4.14Å; V100-F126 HydrophobicContact CG2-CB 4.07Å; V100-F126 HydrophobicContact CG2-CD2 3.37Å; V100-F126 HydrophobicContact CG2-CE2 3.94Å; V100-F126 HydrophobicContact CG2-CG 3.89Å; H113-F126 HydrophobicContact CB-CE1 4.3Å; H113-F126 HydrophobicContact CB-CE2 4.09Å; H113-F126 HydrophobicContact CB-CZ 3.81Å; H113-F126 AromaticContact CG-CZ 3.85Å; H113-F126 AromaticContact ND1-CE2 3.75Å; H113-F126 AromaticContact ND1-CZ 3.89Å; C115-F126 VanDerWaalsContact SG-CB 3.51Å; F126-E128 HydrophobicContact CD2-CG 4.21Å; F126-E128 HydrophobicContact CE2-CG 3.68Å
127	T	78.5	Confident	68.3	Low	65 Å²	65	79.5 Å²	79.5	40%	0.399	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.6	174	-40	0	0	0	0	109.6	C98 V99 V100	C98-T127 PolarHBondContact O-N 3.26Å; V99-T127 WeakPolarHBondContact CA-O 3.21Å; V100-T127 PolarHBondContact N-O 2.73Å
128	E	75.6	Confident	66.2	Low	79 Å²	79	85.3 Å²	85.3	37%	0.369	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131	168.9	-64.4	-175.1	168	0	0	109.4	K70 H113 F126 F130	K70-E128 IonicContact NZ-OE1 3.94Å; H113-E128 IonicContact CE1-OE1 2.98Å; H113-E128 PolarHBondContact CE1-OE1 3.47Å; H113-E128 IonicContact ND1-OE1 3.38Å; H113-E128 PolarHBondContact ND1-OE1 3.32Å; H113-E128 IonicContact NE2-OE1 3.97Å; F126-E128 HydrophobicContact CD2-CG 4.21Å; F126-E128 HydrophobicContact CE2-CG 3.68Å; E128-F130 HydrophobicContact CB-CD2 4.39Å; E128-F130 HydrophobicContact CB-CE2 3.79Å; E128-F130 HydrophobicContact CB-CZ 4.26Å; E128-F130 HydrophobicContact CG-CE2 4.17Å; E128-F130 HydrophobicContact CG-CZ 4.35Å
129	D	66.4	Low	64.4	Low	113 Å²	113	91.7 Å²	91.7	60%	0.604	54%	0.539	S	S	*	.			trans	-144.7	106.8	174.6	-157.2	-9.8	0	0	0	110	V99	V99-D129 HydrophobicContact CG1-CB 4.37Å
130	F	62.9	Low	62.4	Low	75 Å²	75	95.6 Å²	95.6	33%	0.329	56%	0.563	S	S	.	*			trans	-118.3	111.7	-170.4	-60.3	-63.2	0	0	0	111.1	L103 E128	L103-F130 HydrophobicContact CD1-CD1 3.83Å; L103-F130 HydrophobicContact CD1-CE1 3.91Å; L103-F130 HydrophobicContact CD1-CG 4.3Å; L103-F130 HydrophobicContact CD1-CZ 4.43Å; E128-F130 HydrophobicContact CB-CD2 4.39Å; E128-F130 HydrophobicContact CB-CE2 3.79Å; E128-F130 HydrophobicContact CB-CZ 4.26Å; E128-F130 HydrophobicContact CG-CE2 4.17Å; E128-F130 HydrophobicContact CG-CZ 4.35Å
131	P	52.5	Low	60.1	Low	123 Å²	123	99.2 Å²	99.2	80%	0.799	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-72.3	141	-178.3	27.8	-34	0	0	0	113
132	V	47	Very low	57.8	Low	130 Å²	130	100.9 Å²	100.9	79%	0.788	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-95.6	134.4	-173.6	-177.1	0	0	0	0	111.6
133	P	47.8	Very low	55.6	Low	124 Å²	124	109.1 Å²	109.1	81%	0.805	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-80.7	152.5	178.6	32.8	-35.9	0	0	0	113.5
134	S	33.8	Very low	53.4	Low	113 Å²	113	112.7 Å²	112.7	79%	0.79	67%	0.666	S	S	*	*			trans	-141.9	151.1	-180	57.4	0	0	0	0	113.5
135	P	44.7	Very low	51.7	Low	127 Å²	127	115 Å²	115	83%	0.825	68%	0.681	S	S	*	*			trans	-99.2	154.8	-175.6	37.2	-34.9	0	0	0	115.4
136	T	39.3	Very low	50.2	Low	139 Å²	139	115.9 Å²	115.9	85%	0.853	69%	0.685	S	S	*	*			trans	-79.7	172.6	172.2	28.3	0	0	0	0	113.2
137	P	48.3	Very low	49	Very low	116 Å²	116	124.3 Å²	124.3	75%	0.753	72%	0.716	S	S	*	*			cis	-121.4	-153.9	8.9	46.4	-31.3	0	0	0	111.6
138	P	42.1	Very low	47.9	Very low	121 Å²	121	127.6 Å²	127.6	79%	0.786	73%	0.731	S	S	*	*			cis	-131.8	-105.9	-4	38	-14.6	0	0	0	115
139	Q	44.2	Very low	47.1	Very low	147 Å²	147	131.2 Å²	131.2	69%	0.687	75%	0.747	S	S	*	*			trans	-144.4	161	-178.7	-58.2	-169.7	-14.8	0	0	110.3
140	P	39.3	Very low	46.9	Very low	129 Å²	129	130.7 Å²	130.7	84%	0.838	74%	0.741	S	S	*	*				-131.7	171.2	78.8	39.2	-28.6	0	0	0	115.2
141	F	36	Very low	46.9	Very low	176 Å²	176	131.1 Å²	131.1	77%	0.772	75%	0.75	S	S	*	*			trans	-70	145.1	-179.9	-76.7	-113.5	0	0	0	114.2
142	S	35.2	Very low	48.2	Very low	107 Å²	107	128.7 Å²	128.7	75%	0.748	73%	0.733	S	S	*	*				-175.6	125.2	127.4	-83.9	0	0	0	0	114.2
143	H	39.1	Very low	49.6	Very low	192 Å²	192	126.6 Å²	126.6	89%	0.889	72%	0.721	S	S	*	*			trans	44.8	100.6	154.8	-65.8	-82.7	0	0	0	120.8
144	G	40.8	Very low	51.1	Low	74 Å²	74	125.8 Å²	125.8	76%	0.763	71%	0.708	S	S	*	*			trans	-161.2	-2.8	159.8	0	0	0	0	0	115	L146	G144-L146 PolarHBondContact O-N 2.87Å
145	T	48.2	Very low	53.4	Low	132 Å²	132	122.7 Å²	122.7	81%	0.81	69%	0.689	S	S	*	*			trans	-86.4	64.5	-169.5	49.8	0	0	0	0	112.6
146	L	49.8	Very low	55.4	Low	130 Å²	130	120.7 Å²	120.7	68%	0.681	67%	0.671	S	S	*	*	S	Bend	trans	-143.5	32.3	178.6	-128.6	176.3	0	0	0	113.5	G144	G144-L146 PolarHBondContact O-N 2.87Å
147	R	56.7	Low	57.7	Low	198 Å²	198	116.8 Å²	116.8	75%	0.747	65%	0.653	S	S	*	*	S	Bend	trans	-144.3	-33	166	-91.6	-164.3	171.5	-170.8	-3.3	114.1	T151	R147-T151 VanDerWaalsContact O-CB 3.29Å; R147-T151 WeakPolarHBondContact O-CB 3.5Å; R147-T151 PolarHBondContact O-N 2.81Å; R147-T151 PolarHBondContact O-OG1 2.85Å
148	L	56.9	Low	59.5	Low	135 Å²	135	114.5 Å²	114.5	71%	0.707	64%	0.637	S	S	*	*	H	α-helix	trans	-70.1	-43	-176.6	-160.2	71.6	0	0	0	112.1	T151 V152	L148-T151 PolarHBondContact O-N 2.86Å; L148-V152 HydrophobicContact CG-CG2 4.46Å; L148-V152 WeakPolarHBondContact O-CB 3.37Å; L148-V152 VanDerWaalsContact O-CG2 3.28Å; L148-V152 WeakPolarHBondContact O-CG2 3.48Å; L148-V152 PolarHBondContact O-N 2.83Å
149	E	58.6	Low	61.9	Low	155 Å²	155	111.8 Å²	111.8	72%	0.724	62%	0.618	S	S	*	*	H	α-helix	trans	-68.7	-36	175.7	-66.7	-162	162.9	0	0	112.7	V152 T153	E149-V152 PolarHBondContact O-N 2.98Å; E149-T153 WeakPolarHBondContact O-CB 3.48Å; E149-T153 WeakPolarHBondContact O-CG2 3.13Å; E149-T153 PolarHBondContact O-N 3.49Å; E149-T153 PolarHBondContact O-OG1 3.22Å
150	E	61.1	Low	64.1	Low	102 Å²	102	108.1 Å²	108.1	48%	0.477	61%	0.609	S	S	.	*	H	α-helix	trans	-61.6	-44.9	169.2	-66.3	-171.1	156.1	0	0	110.9	V152 T153 I154	E150-V152 PolarHBondContact O-N 2.87Å; E150-T153 WeakPolarHBondContact CA-OG1 3.21Å; E150-T153 PolarHBondContact O-N 2.93Å; E150-T153 PolarHBondContact O-OG1 2.95Å; E150-I154 WeakPolarHBondContact O-CB 3.19Å; E150-I154 WeakPolarHBondContact O-CD1 3.44Å; E150-I154 WeakPolarHBondContact O-CG1 3.5Å; E150-I154 PolarHBondContact O-N 2.94Å
151	T	64.1	Low	66.6	Low	83 Å²	83	107 Å²	107	51%	0.509	60%	0.595	S	S	.	*	H	α-helix	trans	-66.2	-37.9	178.8	-54.4	0	0	0	0	111.8	R147 L148 A155	R147-T151 VanDerWaalsContact O-CB 3.29Å; R147-T151 WeakPolarHBondContact O-CB 3.5Å; R147-T151 PolarHBondContact O-N 2.81Å; R147-T151 PolarHBondContact O-OG1 2.85Å; L148-T151 PolarHBondContact O-N 2.86Å; T151-A155 WeakPolarHBondContact O-CB 3.36Å; T151-A155 PolarHBondContact O-N 3.41Å
152	V	78.6	Confident	69.3	Low	73 Å²	73	104.3 Å²	104.3	44%	0.442	59%	0.588	S	S	.	*	H	α-helix	trans	-73.8	-39.5	177.8	169.2	0	0	0	0	111.6	L148 E149 E150 A155 L156	L148-V152 HydrophobicContact CG-CG2 4.46Å; L148-V152 WeakPolarHBondContact O-CB 3.37Å; L148-V152 VanDerWaalsContact O-CG2 3.28Å; L148-V152 WeakPolarHBondContact O-CG2 3.48Å; L148-V152 PolarHBondContact O-N 2.83Å; E149-V152 PolarHBondContact O-N 2.98Å; E150-V152 PolarHBondContact O-N 2.87Å; V152-A155 PolarHBondContact O-N 3.47Å; V152-L156 HydrophobicContact CG1-CD1 3.98Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CB 3.49Å; V152-L156 WeakPolarHBondContact O-CG 3.46Å; V152-L156 PolarHBondContact O-N 3.35Å
153	T	76.5	Confident	72.1	Confident	86 Å²	86	103.2 Å²	103.2	53%	0.528	58%	0.577	S	S	.	*	H	α-helix	trans	-69.9	-35.7	173.7	51.1	0	0	0	0	111.7	E149 E150 A157	E149-T153 WeakPolarHBondContact O-CB 3.48Å; E149-T153 WeakPolarHBondContact O-CG2 3.13Å; E149-T153 PolarHBondContact O-N 3.49Å; E149-T153 PolarHBondContact O-OG1 3.22Å; E150-T153 WeakPolarHBondContact CA-OG1 3.21Å; E150-T153 PolarHBondContact O-N 2.93Å; E150-T153 PolarHBondContact O-OG1 2.95Å; T153-A157 WeakPolarHBondContact O-CB 3.24Å; T153-A157 PolarHBondContact O-N 2.7Å
154	I	79.1	Confident	74.6	Confident	107 Å²	107	98.5 Å²	98.5	55%	0.549	56%	0.561	S	S	.	*	H	α-helix	trans	-66.5	-39.6	169.9	-69.4	164.9	0	0	0	110.9	E150 A157 T158	E150-I154 WeakPolarHBondContact O-CB 3.19Å; E150-I154 WeakPolarHBondContact O-CD1 3.44Å; E150-I154 WeakPolarHBondContact O-CG1 3.5Å; E150-I154 PolarHBondContact O-N 2.94Å; I154-A157 PolarHBondContact O-N 2.87Å; I154-T158 HydrophobicContact CG2-CG2 4.34Å; I154-T158 WeakPolarHBondContact O-CB 3.3Å; I154-T158 WeakPolarHBondContact O-CG2 3.16Å; I154-T158 PolarHBondContact O-N 2.87Å; I154-T158 PolarHBondContact O-OG1 3.35Å
155	A	82.5	Confident	77	Confident	47 Å²	47	98.8 Å²	98.8	39%	0.388	55%	0.548	S	S	.	.	H	α-helix	trans	-64.8	-47.3	175.1	0	0	0	0	0	111.5	T151 V152 T158 V159	T151-A155 WeakPolarHBondContact O-CB 3.36Å; T151-A155 PolarHBondContact O-N 3.41Å; V152-A155 PolarHBondContact O-N 3.47Å; A155-T158 WeakPolarHBondContact CA-OG1 3.44Å; A155-T158 PolarHBondContact O-N 3.11Å; A155-T158 PolarHBondContact O-OG1 3.02Å; A155-T158 VanDerWaalsContact O-OG1 3.07Å; A155-V159 WeakPolarHBondContact O-CB 3.43Å; A155-V159 VanDerWaalsContact O-CG2 3.31Å; A155-V159 WeakPolarHBondContact O-CG2 3.25Å; A155-V159 PolarHBondContact O-N 3.46Å
156	L	87.4	Confident	79	Confident	86 Å²	86	95.4 Å²	95.4	45%	0.45	53%	0.533	S	S	.	.	H	α-helix	trans	-66.6	-36.9	176.3	-71	170.8	0	0	0	112	V152 S160	V152-L156 HydrophobicContact CG1-CD1 3.98Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CB 3.49Å; V152-L156 WeakPolarHBondContact O-CG 3.46Å; V152-L156 PolarHBondContact O-N 3.35Å; L156-S160 WeakPolarHBondContact O-CB 3.3Å; L156-S160 PolarHBondContact O-N 3.32Å; L156-S160 PolarHBondContact O-OG 3.04Å
157	A	86.9	Confident	81	Confident	57 Å²	57	92.5 Å²	92.5	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-70.1	-36.6	174.7	0	0	0	0	0	112.4	T153 I154 L161	T153-A157 WeakPolarHBondContact O-CB 3.24Å; T153-A157 PolarHBondContact O-N 2.7Å; I154-A157 PolarHBondContact O-N 2.87Å; A157-L161 WeakPolarHBondContact O-CB 3.37Å; A157-L161 PolarHBondContact O-N 3.46Å
158	T	86.1	Confident	82.4	Confident	67 Å²	67	86 Å²	86	41%	0.411	51%	0.509	S	S	.	.	H	α-helix	trans	-74.3	-38.6	175.7	48.3	0	0	0	0	112.1	I154 A155 L161 L162	I154-T158 HydrophobicContact CG2-CG2 4.34Å; I154-T158 WeakPolarHBondContact O-CB 3.3Å; I154-T158 WeakPolarHBondContact O-CG2 3.16Å; I154-T158 PolarHBondContact O-N 2.87Å; I154-T158 PolarHBondContact O-OG1 3.35Å; A155-T158 WeakPolarHBondContact CA-OG1 3.44Å; A155-T158 PolarHBondContact O-N 3.11Å; A155-T158 PolarHBondContact O-OG1 3.02Å; A155-T158 VanDerWaalsContact O-OG1 3.07Å; T158-L161 PolarHBondContact O-N 2.81Å; T158-L162 WeakPolarHBondContact O-CB 3.07Å; T158-L162 WeakPolarHBondContact O-CG 3.36Å; T158-L162 PolarHBondContact O-N 3.2Å
159	V	93.2	Very high	83.7	Confident	65 Å²	65	82.2 Å²	82.2	39%	0.394	50%	0.498	S	S	.	.	H	α-helix	trans	-62.9	-44.5	169.1	170.5	0	0	0	0	110.7	A155 L161 L162 V163 L957	A155-V159 WeakPolarHBondContact O-CB 3.43Å; A155-V159 VanDerWaalsContact O-CG2 3.31Å; A155-V159 WeakPolarHBondContact O-CG2 3.25Å; A155-V159 PolarHBondContact O-N 3.46Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 3.44Å; V159-L162 PolarHBondContact O-N 3.07Å; V159-V163 WeakPolarHBondContact O-CG2 3.49Å; V159-V163 PolarHBondContact O-N 2.77Å; V159-L957 HydrophobicContact CG1-CD2 4.41Å
160	S	89.8	Confident	85	Confident	70 Å²	70	79.7 Å²	79.7	49%	0.49	49%	0.485	S	S	.	.	H	α-helix	trans	-63.4	-40.7	176	-59.7	0	0	0	0	111.7	L156 V163 V164	L156-S160 WeakPolarHBondContact O-CB 3.3Å; L156-S160 PolarHBondContact O-N 3.32Å; L156-S160 PolarHBondContact O-OG 3.04Å; S160-V163 PolarHBondContact O-N 2.88Å; S160-V164 WeakPolarHBondContact O-CB 3.41Å; S160-V164 VanDerWaalsContact O-CG2 3.3Å; S160-V164 WeakPolarHBondContact O-CG2 3.28Å; S160-V164 PolarHBondContact O-N 2.84Å
161	L	92.6	Very high	85.8	Confident	106 Å²	106	80.7 Å²	80.7	56%	0.555	49%	0.488	S	S	*	.	H	α-helix	trans	-66.5	-38.3	175.1	-178.2	63.8	0	0	0	111.4	A157 T158 V159 V164 V165	A157-L161 WeakPolarHBondContact O-CB 3.37Å; A157-L161 PolarHBondContact O-N 3.46Å; T158-L161 PolarHBondContact O-N 2.81Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 3.44Å; L161-V164 PolarHBondContact O-N 3.25Å; L161-V165 HydrophobicContact CD1-CG2 4.15Å; L161-V165 HydrophobicContact CG-CG2 4.33Å; L161-V165 VanDerWaalsContact O-CB 3.23Å; L161-V165 WeakPolarHBondContact O-CB 3.31Å; L161-V165 WeakPolarHBondContact O-CG2 3.49Å; L161-V165 PolarHBondContact O-N 3.19Å
162	L	92.1	Very high	86.6	Confident	118 Å²	118	77.9 Å²	77.9	62%	0.618	48%	0.475	S	S	*	.	H	α-helix	trans	-66.7	-38.2	174.1	-75.6	168.2	0	0	0	111.7	T158 V159 V165 A166	T158-L162 WeakPolarHBondContact O-CB 3.07Å; T158-L162 WeakPolarHBondContact O-CG 3.36Å; T158-L162 PolarHBondContact O-N 3.2Å; V159-L162 PolarHBondContact O-N 3.07Å; L162-V165 PolarHBondContact O-N 2.86Å; L162-A166 WeakPolarHBondContact O-CB 3.24Å; L162-A166 PolarHBondContact O-N 2.59Å
163	V	93.5	Very high	86.5	Confident	85 Å²	85	81.1 Å²	81.1	52%	0.515	48%	0.48	S	S	.	.	H	α-helix	trans	-66.3	-45	171.7	171.4	0	0	0	0	110.7	V159 S160 V165 A166 V167	V159-V163 WeakPolarHBondContact O-CG2 3.49Å; V159-V163 PolarHBondContact O-N 2.77Å; S160-V163 PolarHBondContact O-N 2.88Å; V163-V165 VanDerWaalsContact C-N 3.34Å; V163-V165 PolarHBondContact O-N 3.37Å; V163-A166 PolarHBondContact O-N 3.08Å; V163-V167 HydrophobicContact CG1-CG2 4.35Å; V163-V167 VanDerWaalsContact O-CB 3.28Å; V163-V167 WeakPolarHBondContact O-CB 3.27Å; V163-V167 VanDerWaalsContact O-CG2 3.23Å; V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 3.4Å
164	V	92.8	Very high	86.4	Confident	92 Å²	92	83.3 Å²	83.3	56%	0.558	48%	0.479	S	S	*	.	H	α-helix	trans	-64.5	-37.6	176.1	168.4	0	0	0	0	111.4	S160 L161 A168	S160-V164 WeakPolarHBondContact O-CB 3.41Å; S160-V164 VanDerWaalsContact O-CG2 3.3Å; S160-V164 WeakPolarHBondContact O-CG2 3.28Å; S160-V164 PolarHBondContact O-N 2.84Å; L161-V164 PolarHBondContact O-N 3.25Å; V164-A168 WeakPolarHBondContact O-CB 3.39Å; V164-A168 PolarHBondContact O-N 3.33Å
165	V	91.3	Very high	86	Confident	80 Å²	80	83.6 Å²	83.6	49%	0.485	48%	0.479	S	S	.	.	H	α-helix	trans	-72.9	-36.8	174.9	168.2	0	0	0	0	111.1	L161 L162 V163 A168 A169	L161-V165 HydrophobicContact CD1-CG2 4.15Å; L161-V165 HydrophobicContact CG-CG2 4.33Å; L161-V165 VanDerWaalsContact O-CB 3.23Å; L161-V165 WeakPolarHBondContact O-CB 3.31Å; L161-V165 WeakPolarHBondContact O-CG2 3.49Å; L161-V165 PolarHBondContact O-N 3.19Å; L162-V165 PolarHBondContact O-N 2.86Å; V163-V165 VanDerWaalsContact C-N 3.34Å; V163-V165 PolarHBondContact O-N 3.37Å; V165-A168 PolarHBondContact O-N 3.14Å; V165-A169 WeakPolarHBondContact O-CA 3.22Å; V165-A169 WeakPolarHBondContact O-CB 3.18Å; V165-A169 PolarHBondContact O-N 3.02Å
166	A	90.2	Very high	85.2	Confident	61 Å²	61	88.4 Å²	88.4	50%	0.504	50%	0.496	S	S	.	.	H	α-helix	trans	-67.5	-38.9	173.3	0	0	0	0	0	111.3	L162 V163 A169 F170	L162-A166 WeakPolarHBondContact O-CB 3.24Å; L162-A166 PolarHBondContact O-N 2.59Å; V163-A166 PolarHBondContact O-N 3.08Å; A166-A169 CarbonylContact O-C 3.53Å; A166-F170 WeakPolarHBondContact O-CB 3.32Å; A166-F170 PolarHBondContact O-N 3.43Å
167	V	90.3	Very high	83.7	Confident	69 Å²	69	89.3 Å²	89.3	42%	0.418	50%	0.497	S	S	.	.	H	α-helix	trans	-69.7	-42.9	173.8	168.9	0	0	0	0	110.8	V163 A169 F170 F171	V163-V167 HydrophobicContact CG1-CG2 4.35Å; V163-V167 VanDerWaalsContact O-CB 3.28Å; V163-V167 WeakPolarHBondContact O-CB 3.27Å; V163-V167 VanDerWaalsContact O-CG2 3.23Å; V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 3.4Å; V167-A169 VanDerWaalsContact C-N 3.35Å; V167-F170 PolarHBondContact O-N 3.24Å; V167-F171 HydrophobicContact CG1-CD2 3.64Å; V167-F171 HydrophobicContact CG1-CE2 3.78Å; V167-F171 WeakPolarHBondContact O-CB 3.45Å; V167-F171 VanDerWaalsContact O-CD2 3.27Å; V167-F171 WeakPolarHBondContact O-CD2 3.42Å; V167-F171 PolarHBondContact O-N 3.42Å
168	A	87	Confident	81.9	Confident	61 Å²	61	93.1 Å²	93.1	50%	0.504	50%	0.499	S	S	.	.	H	α-helix	trans	-72.7	-25.6	175.8	0	0	0	0	0	112.8	V164 V165 G172	V164-A168 WeakPolarHBondContact O-CB 3.39Å; V164-A168 PolarHBondContact O-N 3.33Å; V165-A168 PolarHBondContact O-N 3.14Å; A168-G172 WeakPolarHBondContact O-CA 3.48Å; A168-G172 PolarHBondContact O-N 3.13Å
169	A	84.1	Confident	80.3	Confident	56 Å²	56	96.2 Å²	96.2	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-82.5	-25.8	169.7	0	0	0	0	0	111.7	V165 A166 V167 Y173	V165-A169 WeakPolarHBondContact O-CA 3.22Å; V165-A169 WeakPolarHBondContact O-CB 3.18Å; V165-A169 PolarHBondContact O-N 3.02Å; A166-A169 CarbonylContact O-C 3.53Å; V167-A169 VanDerWaalsContact C-N 3.35Å; A169-Y173 WeakPolarHBondContact O-CA 3.46Å; A169-Y173 WeakPolarHBondContact O-CB 3.29Å; A169-Y173 PolarHBondContact O-N 3.27Å
170	F	86.1	Confident	78.4	Confident	103 Å²	103	95.9 Å²	95.9	45%	0.452	52%	0.523	S	S	.	.	H	α-helix	trans	-75.7	-43.6	170.4	176.4	-109.5	0	0	0	111.1	A166 V167 R174	A166-F170 WeakPolarHBondContact O-CB 3.32Å; A166-F170 PolarHBondContact O-N 3.43Å; V167-F170 PolarHBondContact O-N 3.24Å; F170-R174 VanDerWaalsContact CZ-NH1 3.26Å; F170-R174 WeakPolarHBondContact O-CB 3.37Å; F170-R174 WeakPolarHBondContact O-CG 3.48Å; F170-R174 PolarHBondContact O-N 3.16Å
171	F	78.1	Confident	76.7	Confident	123 Å²	123	101.7 Å²	101.7	54%	0.539	54%	0.54	S	S	.	.	H	α-helix	trans	-70.4	-30.3	169	-80.3	-67	0	0	0	112.1	V167 R174 M175	V167-F171 HydrophobicContact CG1-CD2 3.64Å; V167-F171 HydrophobicContact CG1-CE2 3.78Å; V167-F171 WeakPolarHBondContact O-CB 3.45Å; V167-F171 VanDerWaalsContact O-CD2 3.27Å; V167-F171 WeakPolarHBondContact O-CD2 3.42Å; V167-F171 PolarHBondContact O-N 3.42Å; F171-R174 CarbonylContact O-C 3.55Å; F171-M175 WeakPolarHBondContact O-CA 3.32Å; F171-M175 WeakPolarHBondContact O-CB 3.39Å; F171-M175 VanDerWaalsContact O-CG 3.26Å; F171-M175 WeakPolarHBondContact O-CG 3.48Å; F171-M175 PolarHBondContact O-N 2.74Å
172	G	79.8	Confident	74.5	Confident	24 Å²	24	102.9 Å²	102.9	25%	0.247	54%	0.543	C	S	.	.	H	α-helix	trans	-72.6	-47.6	174.5	0	0	0	0	0	112.1	A168 R174 M175 M176	A168-G172 WeakPolarHBondContact O-CA 3.48Å; A168-G172 PolarHBondContact O-N 3.13Å; G172-R174 VanDerWaalsContact C-N 3.34Å; G172-R174 PolarHBondContact O-N 3.07Å; G172-M175 CarbonylContact O-C 3.55Å; G172-M175 PolarHBondContact O-N 2.64Å; G172-M176 WeakPolarHBondContact O-CB 3.23Å; G172-M176 VanDerWaalsContact O-CG 3.31Å; G172-M176 WeakPolarHBondContact O-CG 3.36Å; G172-M176 PolarHBondContact O-N 3.33Å
173	Y	77.9	Confident	71.8	Confident	140 Å²	140	100.5 Å²	100.5	55%	0.549	55%	0.546	S	S	.	.	H	α-helix	trans	-57.7	-46.4	167.9	175.2	-102	0	0	0	110.4	A169 M175 M176 H177	A169-Y173 WeakPolarHBondContact O-CA 3.46Å; A169-Y173 WeakPolarHBondContact O-CB 3.29Å; A169-Y173 PolarHBondContact O-N 3.27Å; Y173-M175 VanDerWaalsContact C-N 3.31Å; Y173-M175 PolarHBondContact O-N 2.85Å; Y173-M176 PolarHBondContact O-N 3.03Å; Y173-H177 AromaticContact CD2-CD2 3.61Å; Y173-H177 AromaticContact CD2-NE2 3.94Å; Y173-H177 AromaticContact CE2-CD2 3.31Å; Y173-H177 WeakPolarHBondContact CE2-CD2 3.48Å; Y173-H177 AromaticContact CE2-NE2 3.24Å; Y173-H177 WeakPolarHBondContact CE2-NE2 3.43Å; Y173-H177 AromaticContact CZ-CD2 3.68Å; Y173-H177 AromaticContact CZ-NE2 3.7Å; Y173-H177 VanDerWaalsContact O-CB 3.31Å; Y173-H177 WeakPolarHBondContact O-CB 3.17Å; Y173-H177 PolarHBondContact O-N 3.03Å
174	R	74.8	Confident	69.1	Low	133 Å²	133	101.1 Å²	101.1	50%	0.502	55%	0.546	S	S	.	.	H	α-helix	trans	-67.3	-24.5	172.5	-75.3	-178.3	125.6	169.4	-0.3	113.1	F170 F171 G172 R178	F170-R174 VanDerWaalsContact CZ-NH1 3.26Å; F170-R174 WeakPolarHBondContact O-CB 3.37Å; F170-R174 WeakPolarHBondContact O-CG 3.48Å; F170-R174 PolarHBondContact O-N 3.16Å; F171-R174 CarbonylContact O-C 3.55Å; G172-R174 VanDerWaalsContact C-N 3.34Å; G172-R174 PolarHBondContact O-N 3.07Å; R174-R178 WeakPolarHBondContact O-CA 3.4Å; R174-R178 WeakPolarHBondContact O-CB 3.5Å; R174-R178 VanDerWaalsContact O-CD 3.28Å; R174-R178 WeakPolarHBondContact O-CD 3.46Å; R174-R178 WeakPolarHBondContact O-CG 3.5Å; R174-R178 PolarHBondContact O-N 2.84Å
175	M	69.3	Low	66.5	Low	112 Å²	112	104.4 Å²	104.4	55%	0.552	56%	0.555	S	S	*	*	H	α-helix	trans	-82.8	-31.3	173.5	-85.7	-174.2	69.4	0	0	112	F171 G172 Y173 N179	F171-M175 WeakPolarHBondContact O-CA 3.32Å; F171-M175 WeakPolarHBondContact O-CB 3.39Å; F171-M175 VanDerWaalsContact O-CG 3.26Å; F171-M175 WeakPolarHBondContact O-CG 3.48Å; F171-M175 PolarHBondContact O-N 2.74Å; G172-M175 CarbonylContact O-C 3.55Å; G172-M175 PolarHBondContact O-N 2.64Å; Y173-M175 VanDerWaalsContact C-N 3.31Å; Y173-M175 PolarHBondContact O-N 2.85Å; M175-N179 WeakPolarHBondContact O-CB 3.27Å; M175-N179 PolarHBondContact O-N 2.7Å; M175-N179 PolarHBondContact O-OD1 2.77Å
176	M	66.6	Low	64.1	Low	149 Å²	149	108.8 Å²	108.8	73%	0.734	58%	0.576	S	S	*	*	H	α-helix	trans	-77.3	-35.6	174.3	-66.9	174.4	73.7	0	0	110.9	G172 Y173 N179 G180	G172-M176 WeakPolarHBondContact O-CB 3.23Å; G172-M176 VanDerWaalsContact O-CG 3.31Å; G172-M176 WeakPolarHBondContact O-CG 3.36Å; G172-M176 PolarHBondContact O-N 3.33Å; Y173-M176 PolarHBondContact O-N 3.03Å; M176-N179 CarbonylContact O-C 2.97Å; M176-G180 PolarHBondContact O-N 3.27Å
177	H	55.8	Low	61.6	Low	105 Å²	105	112.6 Å²	112.6	49%	0.486	59%	0.587	S	S	.	*	H	α-helix	trans	-79.8	-24.3	168.5	-80.8	-99.4	0	0	0	113.5	Y173 G180 K181	Y173-H177 AromaticContact CD2-CD2 3.61Å; Y173-H177 AromaticContact CD2-NE2 3.94Å; Y173-H177 AromaticContact CE2-CD2 3.31Å; Y173-H177 WeakPolarHBondContact CE2-CD2 3.48Å; Y173-H177 AromaticContact CE2-NE2 3.24Å; Y173-H177 WeakPolarHBondContact CE2-NE2 3.43Å; Y173-H177 AromaticContact CZ-CD2 3.68Å; Y173-H177 AromaticContact CZ-NE2 3.7Å; Y173-H177 VanDerWaalsContact O-CB 3.31Å; Y173-H177 WeakPolarHBondContact O-CB 3.17Å; Y173-H177 PolarHBondContact O-N 3.03Å; H177-G180 CarbonylContact O-C 3.43Å; H177-G180 PolarHBondContact O-N 3.27Å; H177-K181 PolarHBondContact O-N 2.61Å
178	R	49.8	Very low	58.8	Low	136 Å²	136	113 Å²	113	51%	0.513	59%	0.587	S	S	.	*	H	α-helix	trans	-72.9	-40	165.9	-77	167.2	76.2	143.3	3.8	111.1	R174 G180 K181 Q182 G183	R174-R178 WeakPolarHBondContact O-CA 3.4Å; R174-R178 WeakPolarHBondContact O-CB 3.5Å; R174-R178 VanDerWaalsContact O-CD 3.28Å; R174-R178 WeakPolarHBondContact O-CD 3.46Å; R174-R178 WeakPolarHBondContact O-CG 3.5Å; R174-R178 PolarHBondContact O-N 2.84Å; R178-G180 PolarHBondContact O-N 3.45Å; R178-K181 PolarHBondContact O-N 2.81Å; R178-Q182 HydrophobicContact CB-CB 3.99Å; R178-Q182 HydrophobicContact CG-CB 3.64Å; R178-Q182 CarbonylContact O-C 3.59Å; R178-Q182 WeakPolarHBondContact O-CA 3.32Å; R178-Q182 PolarHBondContact O-N 3.16Å; R178-G183 PolarHBondContact O-N 3.34Å
179	N	50.7	Low	56.6	Low	133 Å²	133	119.4 Å²	119.4	71%	0.711	61%	0.609	S	S	*	*	H	α-helix	trans	-76.2	-1	172.4	-63.5	6	0	0	0	112.4	M175 M176	M175-N179 WeakPolarHBondContact O-CB 3.27Å; M175-N179 PolarHBondContact O-N 2.7Å; M175-N179 PolarHBondContact O-OD1 2.77Å; M176-N179 CarbonylContact O-C 2.97Å
180	G	54.7	Low	54.6	Low	58 Å²	58	124.4 Å²	124.4	60%	0.598	63%	0.625	S	S	*	*	H	α-helix	trans	-99.3	-33.3	163.2	0	0	0	0	0	115	M176 H177 R178	M176-G180 PolarHBondContact O-N 3.27Å; H177-G180 CarbonylContact O-C 3.43Å; H177-G180 PolarHBondContact O-N 3.27Å; R178-G180 PolarHBondContact O-N 3.45Å
181	K	53.6	Low	52.5	Low	192 Å²	192	127.3 Å²	127.3	84%	0.835	64%	0.639	S	S	*	*	H	α-helix	trans	-147.5	3	-170.2	-68.3	-159.7	172.9	-164.8	0	117.7	H177 R178	H177-K181 PolarHBondContact O-N 2.61Å; R178-K181 PolarHBondContact O-N 2.81Å
182	Q	46.7	Very low	50.3	Low	131 Å²	131	126.1 Å²	126.1	61%	0.612	65%	0.652	S	S	*	*	S	Bend	trans	-149.1	48.2	-178.9	-85.8	-171.6	-5.3	0	0	112.5	R178	R178-Q182 HydrophobicContact CB-CB 3.99Å; R178-Q182 HydrophobicContact CG-CB 3.64Å; R178-Q182 CarbonylContact O-C 3.59Å; R178-Q182 WeakPolarHBondContact O-CA 3.32Å; R178-Q182 PolarHBondContact O-N 3.16Å
183	G	36	Very low	48.3	Very low	67 Å²	67	129.1 Å²	129.1	69%	0.691	68%	0.675	S	S	*	*	S	Bend	trans	-113.5	-4.7	166.3	0	0	0	0	0	113.7	R178	R178-G183 PolarHBondContact O-N 3.34Å
184	L	35.8	Very low	46.3	Very low	99 Å²	99	125.6 Å²	125.6	52%	0.518	68%	0.681	S	S	.	*			trans	-148.8	68.2	-168.1	-166.2	64.5	0	0	0	111.1	L187 N188	L184-L187 HydrophobicContact CD1-CB 3.82Å; L184-N188 WeakPolarHBondContact CD2-OD1 3.43Å; L184-N188 HydrophobicContact CG-CB 4.36Å; L184-N188 VanDerWaalsContact CG-OD1 3.24Å; L184-N188 WeakPolarHBondContact CG-OD1 3.47Å
185	H	38	Very low	44.4	Very low	160 Å²	160	124.5 Å²	124.5	74%	0.741	69%	0.694	S	S	*	*	S	Bend	trans	-134.7	7.2	175.4	-150.5	-60.6	0	0	0	114
186	N	41.4	Very low	43.1	Very low	172 Å²	172	127.3 Å²	127.3	92%	0.92	71%	0.706	S	S	*	*	S	Bend	trans	-114.2	13.9	158.6	-79.8	-0.2	0	0	0	111.2
187	L	37.3	Very low	41.8	Very low	141 Å²	141	124.8 Å²	124.8	74%	0.738	70%	0.703	S	S	*	*	S	Bend	trans	-148	11.2	177.4	-124.5	159.9	0	0	0	113.8	L184	L184-L187 HydrophobicContact CD1-CB 3.82Å
188	N	31.4	Very low	41.3	Very low	79 Å²	79	124.4 Å²	124.4	42%	0.422	71%	0.711	S	S	.	*			trans	-104.8	75.6	157.1	-94.9	30.5	0	0	0	108.4	L184	L184-N188 WeakPolarHBondContact CD2-OD1 3.43Å; L184-N188 HydrophobicContact CG-CB 4.36Å; L184-N188 VanDerWaalsContact CG-OD1 3.24Å; L184-N188 WeakPolarHBondContact CG-OD1 3.47Å
189	M	40.8	Very low	41.8	Very low	195 Å²	195	121.5 Å²	121.5	96%	0.961	71%	0.706	S	S	*	*	S	Bend	trans	-97.7	24.6	158.1	-157.6	175.8	76	0	0	110.1
190	M	41.8	Very low	42.8	Very low	161 Å²	161	119.7 Å²	119.7	79%	0.793	70%	0.696	S	S	*	*	S	Bend	trans	-150	158.2	178.2	-160	158.9	68.4	0	0	107.1
191	E	42.2	Very low	44.1	Very low	164 Å²	164	118.5 Å²	118.5	77%	0.766	68%	0.676	S	S	*	*			trans	64.5	53.8	-175	-154.5	172.2	-155.4	0	0	115.6
192	A	32.3	Very low	45.4	Very low	98 Å²	98	116.5 Å²	116.5	81%	0.81	67%	0.674	S	S	*	*			trans	-106.8	69.2	138.3	0	0	0	0	0	107.8	G194	A192-G194 PolarHBondContact O-N 3.37Å
193	A	38.4	Very low	47.3	Very low	87 Å²	87	114.2 Å²	114.2	72%	0.719	67%	0.666	S	S	*	*			trans	-74.4	53	-169.4	0	0	0	0	0	114.1	S195	A193-S195 PolarHBondContact O-N 3.38Å
194	G	34.9	Very low	50	Low	66 Å²	66	112.3 Å²	112.3	68%	0.68	64%	0.64	S	S	*	*	S	Bend	trans	-74.4	64.3	164.2	0	0	0	0	0	110.8	A192	A192-G194 PolarHBondContact O-N 3.37Å
195	S	35.2	Very low	52.7	Low	110 Å²	110	112.2 Å²	112.2	77%	0.769	64%	0.635	S	S	*	*			trans	34.9	82.9	178.2	60.8	0	0	0	0	114.4	A193 S197	A193-S195 PolarHBondContact O-N 3.38Å; S195-S197 PolarHBondContact O-N 3.15Å
196	E	41.9	Very low	55.4	Low	171 Å²	171	107.1 Å²	107.1	80%	0.799	61%	0.613	S	S	*	*			trans	-59.5	109.2	167.1	-67.9	-171.9	161.6	0	0	109.3	S198	E196-S198 PolarHBondContact O-N 3.43Å; E196-S198 VanDerWaalsContact O-N 3.09Å
197	S	38.2	Very low	57.8	Low	96 Å²	96	104.4 Å²	104.4	67%	0.671	60%	0.598	S	S	*	*			trans	-65.5	92.2	136.1	56.1	0	0	0	0	105.7	S195 L199	S195-S197 PolarHBondContact O-N 3.15Å; S197-L199 PolarHBondContact O-N 2.79Å
198	S	46.5	Very low	60.5	Low	96 Å²	96	103.8 Å²	103.8	67%	0.671	59%	0.592	S	S	*	*			trans	-61.8	88.2	162.5	54.5	0	0	0	0	106.3	E196 D200	E196-S198 PolarHBondContact O-N 3.43Å; E196-S198 VanDerWaalsContact O-N 3.09Å; S198-D200 PolarHBondContact O-N 2.93Å
199	L	60.6	Low	63.5	Low	76 Å²	76	103.1 Å²	103.1	40%	0.398	59%	0.588	S	S	.	*			trans	-64.4	108.4	179.1	-74.8	176.9	0	0	0	106.7	S197 L201 I262	S197-L199 PolarHBondContact O-N 2.79Å; L199-L201 PolarHBondContact O-N 3.08Å; L199-L201 VanDerWaalsContact O-N 3.13Å; L199-I262 HydrophobicContact CD1-CG2 3.74Å
200	D	70.4	Confident	65.9	Low	94 Å²	94	97.3 Å²	97.3	50%	0.503	56%	0.56	S	S	.	*			trans	-69	110	-171	-169.2	-4.5	0	0	0	109.8	S198 D202	S198-D200 PolarHBondContact O-N 2.93Å; D200-D202 PolarHBondContact O-N 3.45Å; D200-D202 VanDerWaalsContact OD1-CB 3.3Å; D200-D202 WeakPolarHBondContact OD1-CB 3.28Å; D200-D202 PolarHBondContact OD1-N 2.89Å; D200-D202 VanDerWaalsContact OD1-N 3.08Å
201	L	82.9	Confident	68.1	Low	34 Å²	34	91 Å²	91	18%	0.178	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-83.2	2.5	-179.1	-60.4	-175.7	0	0	0	112.4	L199 N203 L204 L223 A263 D265	L199-L201 PolarHBondContact O-N 3.08Å; L199-L201 VanDerWaalsContact O-N 3.13Å; L201-N203 PolarHBondContact O-N 3.17Å; L201-L204 HydrophobicContact CB-CB 4.19Å; L201-L204 HydrophobicContact CD2-CB 4.41Å; L201-L204 HydrophobicContact CD2-CD2 4.38Å; L201-L204 WeakPolarHBondContact O-CB 3.28Å; L201-L204 PolarHBondContact O-N 3.23Å; L201-L223 HydrophobicContact CD2-CD1 3.88Å; L201-L223 HydrophobicContact CD2-CD2 3.98Å; L201-A263 HydrophobicContact CD1-CB 4.22Å; L201-A263 HydrophobicContact CD2-CB 4.13Å; L201-D265 HydrophobicContact CD1-CB 3.67Å
202	D	81.4	Confident	70.2	Confident	149 Å²	149	92.7 Å²	92.7	80%	0.797	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-57	-27.4	168.2	-80.1	4.4	0	0	0	111.7	D200	D200-D202 PolarHBondContact O-N 3.45Å; D200-D202 VanDerWaalsContact OD1-CB 3.3Å; D200-D202 WeakPolarHBondContact OD1-CB 3.28Å; D200-D202 PolarHBondContact OD1-N 2.89Å; D200-D202 VanDerWaalsContact OD1-N 3.08Å
203	N	86.7	Confident	72.2	Confident	84 Å²	84	90 Å²	90	45%	0.449	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-83.8	-3.6	174	-76.6	-22.6	0	0	0	114.6	L201 K205 L223 D224	L201-N203 PolarHBondContact O-N 3.17Å; N203-K205 PolarHBondContact O-N 2.74Å; N203-L223 HydrophobicContact CB-CD1 4.44Å; N203-D224 PolarHBondContact ND2-OD1 3.27Å
204	L	92.8	Very high	73.9	Confident	26 Å²	26	92.7 Å²	92.7	14%	0.136	51%	0.508	C	S	.	.			trans	-76.5	106	-173.8	-174.3	68.7	0	0	0	112.2	L201 S222 L223 V228 V230 L277 V279	L201-L204 HydrophobicContact CB-CB 4.19Å; L201-L204 HydrophobicContact CD2-CB 4.41Å; L201-L204 HydrophobicContact CD2-CD2 4.38Å; L201-L204 WeakPolarHBondContact O-CB 3.28Å; L201-L204 PolarHBondContact O-N 3.23Å; L204-S222 WeakPolarHBondContact CA-O 3.32Å; L204-L223 HydrophobicContact CB-CD1 4.19Å; L204-L223 HydrophobicContact CD1-CB 3.92Å; L204-L223 HydrophobicContact CD1-CD1 4.27Å; L204-V228 HydrophobicContact CD1-CG2 3.87Å; L204-V230 HydrophobicContact CD1-CG2 3.96Å; L204-V230 HydrophobicContact CD2-CG1 4.42Å; L204-V230 HydrophobicContact CD2-CG2 4.31Å; L204-V230 HydrophobicContact CG-CG2 4.49Å; L204-L277 HydrophobicContact CD2-CD2 3.87Å; L204-V279 HydrophobicContact CD1-CG1 4.43Å; L204-V279 HydrophobicContact CD2-CG2 3.9Å
205	K	92.6	Very high	76.1	Confident	97 Å²	97	90.2 Å²	90.2	42%	0.422	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.2	177.1	-60.1	159.6	-163.8	173	0	109.5	N203 L207 G221 S222 E225	N203-K205 PolarHBondContact O-N 2.74Å; K205-L207 HydrophobicContact CB-CD2 4.12Å; K205-G221 CarbonylContact O-C 3.6Å; K205-G221 WeakPolarHBondContact O-CA 3.41Å; K205-S222 PolarHBondContact N-O 2.67Å; K205-S222 PolarHBondContact O-N 3.02Å; K205-E225 IonicContact NZ-OE1 3.74Å; K205-E225 PolarHBondContact NZ-OE1 3.46Å
206	L	92.8	Very high	78.6	Confident	53 Å²	53	85.7 Å²	85.7	28%	0.277	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	132.9	163.2	-57.8	-177.6	0	0	0	108.5	Y219 V230 V232	L206-Y219 HydrophobicContact CB-CG 4.5Å; L206-Y219 HydrophobicContact CD1-CD2 4.3Å; L206-Y219 HydrophobicContact CD1-CE2 4.5Å; L206-Y219 HydrophobicContact CD2-CD2 4.42Å; L206-Y219 HydrophobicContact CD2-CG 4.38Å; L206-V230 HydrophobicContact CD2-CB 3.67Å; L206-V230 HydrophobicContact CD2-CG1 3.76Å; L206-V230 HydrophobicContact CD2-CG2 3.85Å; L206-V232 HydrophobicContact CD1-CG2 4.37Å
207	L	93.3	Very high	81	Confident	116 Å²	116	79.3 Å²	79.3	61%	0.607	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	-70.4	-174.9	-57.3	176.5	0	0	0	111.8	K205 C220	K205-L207 HydrophobicContact CB-CD2 4.12Å; L207-C220 WeakPolarHBondContact CA-O 3.48Å; L207-C220 WeakPolarHBondContact CB-O 3.24Å; L207-C220 PolarHBondContact N-O 2.82Å
208	E	94.1	Very high	83.7	Confident	127 Å²	127	76.4 Å²	76.4	59%	0.593	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	135.6	-171	-179.5	176.5	-167	0	0	110.6	I210 Y219 C220	E208-I210 HydrophobicContact CG-CG2 4.39Å; E208-I210 PolarHBondContact O-N 3.23Å; E208-Y219 CarbonylContact O-C 3.43Å; E208-Y219 WeakPolarHBondContact O-CA 3.39Å; E208-Y219 WeakPolarHBondContact O-CB 3.16Å; E208-C220 HydrophobicContact CB-CB 4.35Å; E208-C220 PolarHBondContact N-O 2.97Å; E208-C220 VanDerWaalsContact N-O 3.13Å; E208-C220 PolarHBondContact O-N 2.88Å
209	L	94.2	Very high	86	Confident	65 Å²	65	74.8 Å²	74.8	34%	0.34	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	101.9	173.3	177.8	70.2	0	0	0	109.6	G211 R212 T217 Y219	L209-G211 WeakPolarHBondContact CD1-O 3.24Å; L209-R212 HydrophobicContact CD2-CG 4.44Å; L209-T217 HydrophobicContact CD1-CG2 4.39Å; L209-Y219 HydrophobicContact CB-CD1 4.06Å; L209-Y219 HydrophobicContact CB-CE1 3.87Å; L209-Y219 HydrophobicContact CD1-CD1 4.22Å; L209-Y219 HydrophobicContact CD1-CE1 3.78Å; L209-Y219 HydrophobicContact CD1-CE2 4.3Å; L209-Y219 HydrophobicContact CG-CE1 4.41Å
210	I	90.8	Very high	87.7	Confident	74 Å²	74	72 Å²	72	38%	0.379	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-10.9	-178.7	62.8	176	0	0	0	113.7	E208 V218 C220 Y282	E208-I210 HydrophobicContact CG-CG2 4.39Å; E208-I210 PolarHBondContact O-N 3.23Å; I210-V218 HydrophobicContact CD1-CG1 3.96Å; I210-V218 HydrophobicContact CG1-CB 4.18Å; I210-V218 HydrophobicContact CG1-CG1 3.91Å; I210-V218 WeakPolarHBondContact CG1-O 3.37Å; I210-V218 PolarHBondContact N-O 2.89Å; I210-C220 HydrophobicContact CD1-CB 4.49Å; I210-C220 HydrophobicContact CG2-CB 3.68Å; I210-Y282 HydrophobicContact CD1-CD2 4.21Å; I210-Y282 HydrophobicContact CD1-CE2 3.89Å
211	G	87.2	Confident	88.9	Confident	28 Å²	28	67.6 Å²	67.6	29%	0.289	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	164.4	173.5	0	0	0	0	0	115.4	L209 V218	L209-G211 WeakPolarHBondContact CD1-O 3.24Å; G211-V218 PolarHBondContact N-O 3.09Å; G211-V218 VanDerWaalsContact N-O 3.11Å; G211-V218 PolarHBondContact O-N 3.02Å
212	R	86.6	Confident	89.4	Confident	199 Å²	199	66.4 Å²	66.4	75%	0.751	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.5	167.8	-57.8	-169	175.8	129.5	1.1	107.9	L209 T217	L209-R212 HydrophobicContact CD2-CG 4.44Å; R212-T217 HydrophobicContact CG-CG2 4.1Å
213	G	74.4	Confident	90	Very high	41 Å²	41	59.8 Å²	59.8	42%	0.423	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	172.8	178.3	0	0	0	0	0	111.7	Y215 G216	G213-Y215 PolarHBondContact O-N 2.73Å; G213-G216 PolarHBondContact N-O 3.24Å; G213-G216 PolarHBondContact O-N 3.03Å; G213-G216 VanDerWaalsContact O-O 3.1Å
214	R	74.9	Confident	90.2	Very high	144 Å²	144	59.6 Å²	59.6	54%	0.543	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.8	-177.7	-172.5	173.8	-179.7	170.1	5.7	114.2	G379	R214-G379 PolarHBondContact NH1-O 3.43Å
215	Y	80.3	Confident	90.1	Very high	15 Å²	15	65 Å²	65	6%	0.059	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-4.7	-172.1	-54.1	-59.1	0	0	0	114.9	G213 F233 N237 N240 L355	G213-Y215 PolarHBondContact O-N 2.73Å; Y215-F233 VanDerWaalsContact O-CD1 3.29Å; Y215-F233 WeakPolarHBondContact O-CD1 3.15Å; Y215-N237 WeakPolarHBondContact O-CB 3.46Å; Y215-N237 VanDerWaalsContact O-CG 3.32Å; Y215-N237 PolarHBondContact O-ND2 2.9Å; Y215-N240 HydrophobicContact CD1-CB 3.96Å; Y215-N240 WeakPolarHBondContact CD1-ND2 3.33Å; Y215-N240 HydrophobicContact CD2-CB 4.43Å; Y215-N240 HydrophobicContact CE1-CB 4.49Å; Y215-N240 HydrophobicContact CG-CB 3.91Å; Y215-L355 HydrophobicContact CE2-CG 4.33Å; Y215-L355 VanDerWaalsContact OH-CD1 3.25Å; Y215-L355 WeakPolarHBondContact OH-CD1 3.47Å; Y215-L355 WeakPolarHBondContact OH-CD2 3.1Å; Y215-L355 VanDerWaalsContact OH-CG 3.23Å; Y215-L355 WeakPolarHBondContact OH-CG 3.41Å
216	G	87.2	Confident	90	Very high	14 Å²	14	68.7 Å²	68.7	14%	0.144	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-176.3	-172.4	0	0	0	0	0	114.1	G213 V232	G213-G216 PolarHBondContact N-O 3.24Å; G213-G216 PolarHBondContact O-N 3.03Å; G213-G216 VanDerWaalsContact O-O 3.1Å; G216-V232 CarbonylContact C-O 3.5Å; G216-V232 WeakPolarHBondContact CA-O 3.39Å
217	T	93.4	Very high	90.1	Very high	38 Å²	38	70 Å²	70	23%	0.233	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.5	178.1	54.9	0	0	0	0	109.9	L209 R212 Y219 K231 V232	L209-T217 HydrophobicContact CD1-CG2 4.39Å; R212-T217 HydrophobicContact CG-CG2 4.1Å; T217-Y219 VanDerWaalsContact OG1-CE2 3.27Å; T217-Y219 WeakPolarHBondContact OG1-CE2 3.38Å; T217-K231 CarbonylContact O-C 3.25Å; T217-V232 PolarHBondContact N-O 3.28Å; T217-V232 PolarHBondContact O-N 2.89Å
218	V	94.8	Very high	90.3	Very high	34 Å²	34	64.6 Å²	64.6	21%	0.206	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.3	-178.2	-168.5	0	0	0	0	108.9	I210 G211 V230 K231	I210-V218 HydrophobicContact CD1-CG1 3.96Å; I210-V218 HydrophobicContact CG1-CB 4.18Å; I210-V218 HydrophobicContact CG1-CG1 3.91Å; I210-V218 WeakPolarHBondContact CG1-O 3.37Å; I210-V218 PolarHBondContact N-O 2.89Å; G211-V218 PolarHBondContact N-O 3.09Å; G211-V218 VanDerWaalsContact N-O 3.11Å; G211-V218 PolarHBondContact O-N 3.02Å; V218-V230 WeakPolarHBondContact CA-O 3.13Å; V218-K231 HydrophobicContact CG2-CB 4.34Å; V218-K231 HydrophobicContact CG2-CG 4.14Å
219	Y	95.1	Very high	90.4	Very high	63 Å²	63	59 Å²	59	25%	0.247	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.4	176.2	-60.9	-93.6	0	0	0	110.8	L206 E208 L209 T217 A229 V230 V232	L206-Y219 HydrophobicContact CB-CG 4.5Å; L206-Y219 HydrophobicContact CD1-CD2 4.3Å; L206-Y219 HydrophobicContact CD1-CE2 4.5Å; L206-Y219 HydrophobicContact CD2-CD2 4.42Å; L206-Y219 HydrophobicContact CD2-CG 4.38Å; E208-Y219 CarbonylContact O-C 3.43Å; E208-Y219 WeakPolarHBondContact O-CA 3.39Å; E208-Y219 WeakPolarHBondContact O-CB 3.16Å; L209-Y219 HydrophobicContact CB-CD1 4.06Å; L209-Y219 HydrophobicContact CB-CE1 3.87Å; L209-Y219 HydrophobicContact CD1-CD1 4.22Å; L209-Y219 HydrophobicContact CD1-CE1 3.78Å; L209-Y219 HydrophobicContact CD1-CE2 4.3Å; L209-Y219 HydrophobicContact CG-CE1 4.41Å; T217-Y219 VanDerWaalsContact OG1-CE2 3.27Å; T217-Y219 WeakPolarHBondContact OG1-CE2 3.38Å; Y219-A229 WeakPolarHBondContact O-CA 3.48Å; Y219-V230 PolarHBondContact N-O 2.8Å; Y219-V230 PolarHBondContact O-N 2.99Å; Y219-V232 HydrophobicContact CD2-CG2 3.8Å; Y219-V232 HydrophobicContact CE2-CB 4.25Å; Y219-V232 HydrophobicContact CE2-CG2 3.83Å
220	C	95.3	Very high	90.5	Very high	18 Å²	18	55.9 Å²	55.9	12%	0.122	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.2	149.8	-175.8	0	0	0	0	107.4	L207 E208 I210 Y282	L207-C220 WeakPolarHBondContact CA-O 3.48Å; L207-C220 WeakPolarHBondContact CB-O 3.24Å; L207-C220 PolarHBondContact N-O 2.82Å; E208-C220 HydrophobicContact CB-CB 4.35Å; E208-C220 PolarHBondContact N-O 2.97Å; E208-C220 VanDerWaalsContact N-O 3.13Å; E208-C220 PolarHBondContact O-N 2.88Å; I210-C220 HydrophobicContact CD1-CB 4.49Å; I210-C220 HydrophobicContact CG2-CB 3.68Å; C220-Y282 HydrophobicContact CB-CD2 4.37Å; C220-Y282 HydrophobicContact CB-CE2 4.1Å
221	G	95.3	Very high	90.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	175	178.2	0	0	0	0	0	111.9	K205 P227 V228	K205-G221 CarbonylContact O-C 3.6Å; K205-G221 WeakPolarHBondContact O-CA 3.41Å; G221-P227 WeakPolarHBondContact O-CA 3.34Å; G221-V228 PolarHBondContact N-O 2.76Å; G221-V228 PolarHBondContact O-N 3.48Å
222	S	95	Very high	91.1	Very high	10 Å²	10	51.9 Å²	51.9	7%	0.07	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129	172.8	177.3	0	0	0	0	109.6	L204 K205 E225 R226	L204-S222 WeakPolarHBondContact CA-O 3.32Å; K205-S222 PolarHBondContact N-O 2.67Å; K205-S222 PolarHBondContact O-N 3.02Å; S222-E225 VanDerWaalsContact OG-CA 3.3Å; S222-E225 WeakPolarHBondContact OG-CA 3.24Å; S222-R226 WeakPolarHBondContact CA-O 3.31Å
223	L	93.7	Very high	91.5	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.052	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.7	171.2	-180	63.4	0	0	0	107.7	L201 N203 L204 E225 R226 V228 I262 V279	L201-L223 HydrophobicContact CD2-CD1 3.88Å; L201-L223 HydrophobicContact CD2-CD2 3.98Å; N203-L223 HydrophobicContact CB-CD1 4.44Å; L204-L223 HydrophobicContact CB-CD1 4.19Å; L204-L223 HydrophobicContact CD1-CB 3.92Å; L204-L223 HydrophobicContact CD1-CD1 4.27Å; L223-E225 PolarHBondContact O-N 2.86Å; L223-R226 PolarHBondContact N-O 3.25Å; L223-R226 VanDerWaalsContact O-CB 3.3Å; L223-R226 WeakPolarHBondContact O-CB 3.46Å; L223-R226 PolarHBondContact O-N 3.5Å; L223-V228 HydrophobicContact CB-CG1 4.01Å; L223-V228 HydrophobicContact CB-CG2 4.05Å; L223-I262 HydrophobicContact CD2-CG2 4.04Å; L223-V279 HydrophobicContact CD2-CG1 4.48Å
224	D	90.8	Very high	92.3	Very high	79 Å²	79	44.2 Å²	44.2	42%	0.422	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	42.2	-172.4	-57.7	-34.3	0	0	0	113.5	N203 R226	N203-D224 PolarHBondContact ND2-OD1 3.27Å; D224-R226 PolarHBondContact O-N 3.49Å
225	E	89.6	Confident	93	Very high	139 Å²	139	40 Å²	40	65%	0.65	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	20.7	-174.5	-54.1	-52.2	139.5	0	0	115.3	K205 S222 L223	K205-E225 IonicContact NZ-OE1 3.74Å; K205-E225 PolarHBondContact NZ-OE1 3.46Å; S222-E225 VanDerWaalsContact OG-CA 3.3Å; S222-E225 WeakPolarHBondContact OG-CA 3.24Å; L223-E225 PolarHBondContact O-N 2.86Å
226	R	92.3	Very high	93.5	Very high	175 Å²	175	43.8 Å²	43.8	66%	0.66	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.8	170.8	-54	178.3	-176.1	173.3	3.2	110.6	S222 L223 D224 V228	S222-R226 WeakPolarHBondContact CA-O 3.31Å; L223-R226 PolarHBondContact N-O 3.25Å; L223-R226 VanDerWaalsContact O-CB 3.3Å; L223-R226 WeakPolarHBondContact O-CB 3.46Å; L223-R226 PolarHBondContact O-N 3.5Å; D224-R226 PolarHBondContact O-N 3.49Å; R226-V228 PolarHBondContact O-N 2.93Å
227	P	94.9	Very high	93.7	Very high	81 Å²	81	45 Å²	45	53%	0.526	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.7	176.8	29.3	-34.4	0	0	0	110.8	G221 Y282	G221-P227 WeakPolarHBondContact O-CA 3.34Å; P227-Y282 HydrophobicContact CB-CD1 4.13Å; P227-Y282 HydrophobicContact CB-CG 4.35Å
228	V	96.8	Very high	93.6	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.7	-179.8	-67.5	0	0	0	0	110.9	L204 G221 L223 R226 V230 I262 V279 M280	L204-V228 HydrophobicContact CD1-CG2 3.87Å; G221-V228 PolarHBondContact N-O 2.76Å; G221-V228 PolarHBondContact O-N 3.48Å; L223-V228 HydrophobicContact CB-CG1 4.01Å; L223-V228 HydrophobicContact CB-CG2 4.05Å; R226-V228 PolarHBondContact O-N 2.93Å; V228-V230 HydrophobicContact CG2-CG2 4.03Å; V228-I262 HydrophobicContact CB-CD1 4.5Å; V228-I262 HydrophobicContact CG1-CD1 3.63Å; V228-V279 HydrophobicContact CB-CG1 3.97Å; V228-V279 HydrophobicContact CG1-CG1 4.25Å; V228-V279 HydrophobicContact CG2-CG1 4.12Å; V228-M280 WeakPolarHBondContact CA-O 3.44Å; V228-M280 WeakPolarHBondContact CB-O 3.5Å
229	A	96.8	Very high	93.4	Very high	8 Å²	8	53.2 Å²	53.2	7%	0.066	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.3	168.1	0	0	0	0	0	109.1	Y219 V279 M280	Y219-A229 WeakPolarHBondContact O-CA 3.48Å; A229-V279 WeakPolarHBondContact O-CA 3.34Å; A229-M280 PolarHBondContact N-O 3.24Å; A229-M280 PolarHBondContact O-N 3.01Å
230	V	96.1	Very high	93.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	109.3	178.4	-169.2	0	0	0	0	109.8	L204 L206 V218 Y219 V228 V232 L277 L278 V279	L204-V230 HydrophobicContact CD1-CG2 3.96Å; L204-V230 HydrophobicContact CD2-CG1 4.42Å; L204-V230 HydrophobicContact CD2-CG2 4.31Å; L204-V230 HydrophobicContact CG-CG2 4.49Å; L206-V230 HydrophobicContact CD2-CB 3.67Å; L206-V230 HydrophobicContact CD2-CG1 3.76Å; L206-V230 HydrophobicContact CD2-CG2 3.85Å; V218-V230 WeakPolarHBondContact CA-O 3.13Å; Y219-V230 PolarHBondContact N-O 2.8Å; Y219-V230 PolarHBondContact O-N 2.99Å; V228-V230 HydrophobicContact CG2-CG2 4.03Å; V230-V232 HydrophobicContact CG1-CG2 4.16Å; V230-L277 HydrophobicContact CG1-CB 4.28Å; V230-L277 HydrophobicContact CG1-CD2 4.09Å; V230-L277 HydrophobicContact CG1-CG 3.91Å; V230-L278 WeakPolarHBondContact CA-O 3.25Å; V230-V279 HydrophobicContact CG1-CG2 4.33Å; V230-V279 HydrophobicContact CG2-CG1 4.44Å; V230-V279 HydrophobicContact CG2-CG2 4.43Å
231	K	95.8	Very high	93.2	Very high	9 Å²	9	51.6 Å²	51.6	4%	0.039	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	110.1	175.8	-175.2	-179.8	-176.2	-171.4	0	108.6	T217 V218 F233 E244 L278 M280 D352	T217-K231 CarbonylContact O-C 3.25Å; V218-K231 HydrophobicContact CG2-CB 4.34Å; V218-K231 HydrophobicContact CG2-CG 4.14Å; K231-F233 HydrophobicContact CB-CE2 4.11Å; K231-F233 HydrophobicContact CD-CE1 4.24Å; K231-F233 HydrophobicContact CD-CE2 3.82Å; K231-F233 HydrophobicContact CD-CZ 3.46Å; K231-F233 VanDerWaalsContact CD-CZ 3.46Å; K231-F233 VanDerWaalsContact CE-CZ 3.43Å; K231-F233 HydrophobicContact CG-CD2 4.28Å; K231-F233 HydrophobicContact CG-CE1 4.47Å; K231-F233 HydrophobicContact CG-CE2 3.6Å; K231-F233 HydrophobicContact CG-CZ 3.73Å; K231-F233 WeakPolarHBondContact O-CD2 3.18Å; K231-F233 WeakPolarHBondContact O-CE2 3.35Å; K231-E244 VanDerWaalsContact NZ-CD 3.29Å; K231-E244 IonicContact NZ-OE1 3.16Å; K231-E244 PolarHBondContact NZ-OE1 2.9Å; K231-E244 VanDerWaalsContact NZ-OE1 3.14Å; K231-E244 IonicContact NZ-OE2 3.26Å; K231-E244 PolarHBondContact NZ-OE2 2.89Å; K231-L278 HydrophobicContact CB-CB 4.3Å; K231-L278 HydrophobicContact CD-CD2 4.19Å; K231-L278 PolarHBondContact N-O 2.94Å; K231-L278 PolarHBondContact O-N 2.93Å; K231-M280 HydrophobicContact CB-CE 4.4Å; K231-D352 WeakPolarHBondContact CE-OD2 3.48Å; K231-D352 IonicContact NZ-OD1 3.87Å; K231-D352 PolarHBondContact NZ-OD1 3.11Å; K231-D352 IonicContact NZ-OD2 3.29Å; K231-D352 PolarHBondContact NZ-OD2 3.25Å
232	V	94.5	Very high	93.1	Very high	9 Å²	9	54 Å²	54	6%	0.055	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.2	-178	-176.2	0	0	0	0	109.4	L206 G216 T217 Y219 V230 E275 Y276 L277	L206-V232 HydrophobicContact CD1-CG2 4.37Å; G216-V232 CarbonylContact C-O 3.5Å; G216-V232 WeakPolarHBondContact CA-O 3.39Å; T217-V232 PolarHBondContact N-O 3.28Å; T217-V232 PolarHBondContact O-N 2.89Å; Y219-V232 HydrophobicContact CD2-CG2 3.8Å; Y219-V232 HydrophobicContact CE2-CB 4.25Å; Y219-V232 HydrophobicContact CE2-CG2 3.83Å; V230-V232 HydrophobicContact CG1-CG2 4.16Å; V232-E275 HydrophobicContact CG1-CB 4.15Å; V232-E275 HydrophobicContact CG1-CG 4.31Å; V232-Y276 CarbonylContact C-O 3.5Å; V232-Y276 WeakPolarHBondContact CA-O 3.37Å; V232-L277 HydrophobicContact CG1-CD1 4.13Å; V232-L277 HydrophobicContact CG2-CD1 4.21Å; V232-L277 HydrophobicContact CG2-CG 4.2Å
233	F	94.3	Very high	93.1	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.1	178.4	-52.3	-114.9	0	0	0	110.3	Y215 K231 N237 N240 F241 E244 Y276 L278	Y215-F233 VanDerWaalsContact O-CD1 3.29Å; Y215-F233 WeakPolarHBondContact O-CD1 3.15Å; K231-F233 HydrophobicContact CB-CE2 4.11Å; K231-F233 HydrophobicContact CD-CE1 4.24Å; K231-F233 HydrophobicContact CD-CE2 3.82Å; K231-F233 HydrophobicContact CD-CZ 3.46Å; K231-F233 VanDerWaalsContact CD-CZ 3.46Å; K231-F233 VanDerWaalsContact CE-CZ 3.43Å; K231-F233 HydrophobicContact CG-CD2 4.28Å; K231-F233 HydrophobicContact CG-CE1 4.47Å; K231-F233 HydrophobicContact CG-CE2 3.6Å; K231-F233 HydrophobicContact CG-CZ 3.73Å; K231-F233 WeakPolarHBondContact O-CD2 3.18Å; K231-F233 WeakPolarHBondContact O-CE2 3.35Å; F233-N237 HydrophobicContact CB-CB 4.24Å; F233-N237 HydrophobicContact CD1-CB 4.27Å; F233-N240 HydrophobicContact CE1-CB 4.32Å; F233-F241 HydrophobicContact CB-CB 4.27Å; F233-F241 HydrophobicContact CD1-CB 3.94Å; F233-F241 HydrophobicContact CD2-CB 3.85Å; F233-F241 AromaticContact CD2-CD2 3.74Å; F233-F241 HydrophobicContact CD2-CD2 3.74Å; F233-F241 HydrophobicContact CD2-CG 4.21Å; F233-F241 HydrophobicContact CE1-CB 4.14Å; F233-F241 HydrophobicContact CE2-CB 4.07Å; F233-F241 AromaticContact CE2-CD2 3.71Å; F233-F241 HydrophobicContact CE2-CD2 3.71Å; F233-F241 HydrophobicContact CE2-CG 4.39Å; F233-F241 HydrophobicContact CG-CB 3.79Å; F233-F241 HydrophobicContact CZ-CB 4.19Å; F233-F241 HydrophobicContact CZ-CD2 4.42Å; F233-E244 VanDerWaalsContact CZ-OE2 3.3Å; F233-E244 WeakPolarHBondContact CZ-OE2 3.29Å; F233-Y276 PolarHBondContact N-O 2.9Å; F233-Y276 PolarHBondContact O-N 3.2Å; F233-L278 HydrophobicContact CE2-CB 3.84Å; F233-L278 HydrophobicContact CE2-CD2 4.48Å
234	T	91.8	Very high	93.1	Very high	78 Å²	78	55 Å²	55	48%	0.479	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	161.3	170.6	60.6	0	0	0	0	111	A236 N237 R238	T234-A236 PolarHBondContact O-N 2.99Å; T234-A236 VanDerWaalsContact O-N 3.12Å; T234-N237 WeakPolarHBondContact O-CA 3.13Å; T234-N237 PolarHBondContact O-N 3.36Å; T234-R238 PolarHBondContact O-N 2.93Å
235	A	89.9	Confident	93.4	Very high	56 Å²	56	51.7 Å²	51.7	46%	0.463	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-53.1	-32.4	175.8	0	0	0	0	0	114.5	N237 R238	A235-N237 VanDerWaalsContact C-N 3.28Å; A235-N237 PolarHBondContact O-N 3Å; A235-R238 WeakPolarHBondContact O-CB 3.36Å; A235-R238 PolarHBondContact O-N 2.89Å
236	A	90.2	Very high	93.7	Very high	94 Å²	94	47.1 Å²	47.1	78%	0.777	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-64.1	-31.3	174.4	0	0	0	0	0	113.1	T234	T234-A236 PolarHBondContact O-N 2.99Å; T234-A236 VanDerWaalsContact O-N 3.12Å
237	N	90.4	Very high	93.9	Very high	39 Å²	39	38.8 Å²	38.8	21%	0.209	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-96.6	9.7	-178.4	-77.9	-46.2	0	0	0	113.9	Y215 F233 T234 A235 Q239 N240 F241	Y215-N237 WeakPolarHBondContact O-CB 3.46Å; Y215-N237 VanDerWaalsContact O-CG 3.32Å; Y215-N237 PolarHBondContact O-ND2 2.9Å; F233-N237 HydrophobicContact CB-CB 4.24Å; F233-N237 HydrophobicContact CD1-CB 4.27Å; T234-N237 WeakPolarHBondContact O-CA 3.13Å; T234-N237 PolarHBondContact O-N 3.36Å; A235-N237 VanDerWaalsContact C-N 3.28Å; A235-N237 PolarHBondContact O-N 3Å; N237-Q239 PolarHBondContact O-N 3.24Å; N237-Q239 VanDerWaalsContact O-N 3.08Å; N237-N240 WeakPolarHBondContact O-CB 3.32Å; N237-N240 PolarHBondContact O-N 3.3Å; N237-N240 PolarHBondContact OD1-ND2 2.8Å; N237-F241 PolarHBondContact O-N 3.4Å
238	R	92.4	Very high	94	Very high	109 Å²	109	35.6 Å²	35.6	41%	0.411	21%	0.207	S	C	.	.	H	α-helix	trans	-49	-37.1	179.4	-175.1	-178.2	-163.6	-78.7	-6.1	113.6	T234 A235 F241 V242 E266 Y276	T234-R238 PolarHBondContact O-N 2.93Å; A235-R238 WeakPolarHBondContact O-CB 3.36Å; A235-R238 PolarHBondContact O-N 2.89Å; R238-F241 WeakPolarHBondContact O-CB 3.37Å; R238-F241 PolarHBondContact O-N 3.45Å; R238-V242 HydrophobicContact CG-CG2 4.34Å; R238-V242 WeakPolarHBondContact O-CB 3.39Å; R238-V242 VanDerWaalsContact O-CG2 3.3Å; R238-V242 WeakPolarHBondContact O-CG2 3.45Å; R238-V242 PolarHBondContact O-N 2.85Å; R238-E266 IonicContact NH2-OE2 3.48Å; R238-Y276 HydrophobicContact CB-CD2 4.23Å; R238-Y276 HydrophobicContact CB-CE2 3.87Å; R238-Y276 VanDerWaalsContact CD-CZ 3.5Å; R238-Y276 VanDerWaalsContact CD-OH 3.27Å; R238-Y276 WeakPolarHBondContact CD-OH 3.28Å; R238-Y276 HydrophobicContact CG-CD1 4.39Å; R238-Y276 HydrophobicContact CG-CD2 4.26Å; R238-Y276 HydrophobicContact CG-CE1 3.86Å; R238-Y276 HydrophobicContact CG-CE2 3.77Å; R238-Y276 VanDerWaalsContact NE-CZ 3.32Å; R238-Y276 PolarHBondContact NE-OH 3.26Å
239	Q	90.3	Very high	94	Very high	136 Å²	136	42 Å²	42	64%	0.636	23%	0.23	S	C	*	.	H	α-helix	trans	-68.2	-34.7	-179.2	-172.2	56.7	32	0	0	112.8	N237 V242 N243	N237-Q239 PolarHBondContact O-N 3.24Å; N237-Q239 VanDerWaalsContact O-N 3.08Å; Q239-V242 PolarHBondContact O-N 3.02Å; Q239-N243 WeakPolarHBondContact O-CB 3.36Å; Q239-N243 PolarHBondContact O-N 2.74Å
240	N	91.2	Very high	93.9	Very high	29 Å²	29	42.8 Å²	42.8	16%	0.155	23%	0.233	C	C	.	.	H	α-helix	trans	-68.8	-44.8	175.5	-56.6	-66.4	0	0	0	110.3	Y215 F233 N237 V242 N243 E244	Y215-N240 HydrophobicContact CD1-CB 3.96Å; Y215-N240 WeakPolarHBondContact CD1-ND2 3.33Å; Y215-N240 HydrophobicContact CD2-CB 4.43Å; Y215-N240 HydrophobicContact CE1-CB 4.49Å; Y215-N240 HydrophobicContact CG-CB 3.91Å; F233-N240 HydrophobicContact CE1-CB 4.32Å; N237-N240 WeakPolarHBondContact O-CB 3.32Å; N237-N240 PolarHBondContact O-N 3.3Å; N237-N240 PolarHBondContact OD1-ND2 2.8Å; N240-V242 PolarHBondContact O-N 2.85Å; N240-N243 PolarHBondContact O-N 2.84Å; N240-E244 WeakPolarHBondContact O-CB 3.37Å; N240-E244 PolarHBondContact O-N 2.95Å
241	F	94.8	Very high	93.8	Very high	18 Å²	18	45.4 Å²	45.4	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-55	-48.9	171.7	167.5	-102.5	0	0	0	112.3	F233 N237 R238 N243 C245 A264 Y276 L277 L278	F233-F241 HydrophobicContact CB-CB 4.27Å; F233-F241 HydrophobicContact CD1-CB 3.94Å; F233-F241 HydrophobicContact CD2-CB 3.85Å; F233-F241 AromaticContact CD2-CD2 3.74Å; F233-F241 HydrophobicContact CD2-CD2 3.74Å; F233-F241 HydrophobicContact CD2-CG 4.21Å; F233-F241 HydrophobicContact CE1-CB 4.14Å; F233-F241 HydrophobicContact CE2-CB 4.07Å; F233-F241 AromaticContact CE2-CD2 3.71Å; F233-F241 HydrophobicContact CE2-CD2 3.71Å; F233-F241 HydrophobicContact CE2-CG 4.39Å; F233-F241 HydrophobicContact CG-CB 3.79Å; F233-F241 HydrophobicContact CZ-CB 4.19Å; F233-F241 HydrophobicContact CZ-CD2 4.42Å; N237-F241 PolarHBondContact O-N 3.4Å; R238-F241 WeakPolarHBondContact O-CB 3.37Å; R238-F241 PolarHBondContact O-N 3.45Å; F241-N243 PolarHBondContact O-N 3.14Å; F241-C245 WeakPolarHBondContact CE2-SG 3.47Å; F241-C245 VanDerWaalsContact CZ-SG 3.51Å; F241-C245 WeakPolarHBondContact O-CB 3.27Å; F241-C245 PolarHBondContact O-N 2.92Å; F241-C245 PolarHBondContact O-SG 3.42Å; F241-A264 HydrophobicContact CE2-CB 3.91Å; F241-A264 HydrophobicContact CZ-CB 3.92Å; F241-Y276 AromaticContact CD1-CD1 3.54Å; F241-Y276 HydrophobicContact CD1-CD1 3.54Å; F241-Y276 AromaticContact CD1-CG 3.75Å; F241-Y276 HydrophobicContact CD1-CG 3.75Å; F241-Y276 AromaticContact CE1-CD1 3.48Å; F241-Y276 HydrophobicContact CE1-CD1 3.48Å; F241-Y276 VanDerWaalsContact CE1-CD1 3.48Å; F241-Y276 HydrophobicContact CE1-CE1 4.49Å; F241-Y276 HydrophobicContact CE1-CG 4.02Å; F241-Y276 HydrophobicContact CG-CD1 4.35Å; F241-Y276 HydrophobicContact CG-CG 4.12Å; F241-Y276 HydrophobicContact CZ-CD1 4.24Å; F241-L277 WeakPolarHBondContact CE2-O 3.28Å; F241-L278 HydrophobicContact CD2-CB 4.32Å; F241-L278 HydrophobicContact CE2-CB 4.25Å
242	V	94.1	Very high	93.8	Very high	52 Å²	52	46.8 Å²	46.8	32%	0.315	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-41.4	178.6	167.8	0	0	0	0	111.2	R238 Q239 N240 S246	R238-V242 HydrophobicContact CG-CG2 4.34Å; R238-V242 WeakPolarHBondContact O-CB 3.39Å; R238-V242 VanDerWaalsContact O-CG2 3.3Å; R238-V242 WeakPolarHBondContact O-CG2 3.45Å; R238-V242 PolarHBondContact O-N 2.85Å; Q239-V242 PolarHBondContact O-N 3.02Å; N240-V242 PolarHBondContact O-N 2.85Å; V242-S246 WeakPolarHBondContact O-CB 3.43Å; V242-S246 PolarHBondContact O-N 3.2Å
243	N	93.8	Very high	93.9	Very high	40 Å²	40	46.6 Å²	46.6	21%	0.214	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-52.1	178.1	-170.4	36.7	0	0	0	111.6	Q239 N240 F241 C245 S246 I247 F353 G354 S356	Q239-N243 WeakPolarHBondContact O-CB 3.36Å; Q239-N243 PolarHBondContact O-N 2.74Å; N240-N243 PolarHBondContact O-N 2.84Å; F241-N243 PolarHBondContact O-N 3.14Å; N243-C245 PolarHBondContact O-N 3.42Å; N243-S246 CarbonylContact O-C 3.08Å; N243-S246 WeakPolarHBondContact O-CA 3.37Å; N243-S246 WeakPolarHBondContact O-CB 3.38Å; N243-S246 PolarHBondContact O-N 2.97Å; N243-S246 PolarHBondContact O-OG 2.67Å; N243-I247 WeakPolarHBondContact O-CG1 3.32Å; N243-I247 PolarHBondContact O-N 3.07Å; N243-F353 PolarHBondContact ND2-O 2.94Å; N243-G354 PolarHBondContact ND2-O 2.99Å; N243-S356 PolarHBondContact ND2-O 2.79Å
244	E	95.3	Very high	94	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-44.8	179	-174.3	164.6	-169.1	0	0	111.5	K231 F233 N240 S246 I247 Y248 L278 D352 F353	K231-E244 VanDerWaalsContact NZ-CD 3.29Å; K231-E244 IonicContact NZ-OE1 3.16Å; K231-E244 PolarHBondContact NZ-OE1 2.9Å; K231-E244 VanDerWaalsContact NZ-OE1 3.14Å; K231-E244 IonicContact NZ-OE2 3.26Å; K231-E244 PolarHBondContact NZ-OE2 2.89Å; F233-E244 VanDerWaalsContact CZ-OE2 3.3Å; F233-E244 WeakPolarHBondContact CZ-OE2 3.29Å; N240-E244 WeakPolarHBondContact O-CB 3.37Å; N240-E244 PolarHBondContact O-N 2.95Å; E244-S246 VanDerWaalsContact C-N 3.25Å; E244-S246 PolarHBondContact O-N 3.02Å; E244-I247 PolarHBondContact O-N 3.15Å; E244-I247 VanDerWaalsContact O-N 3.16Å; E244-Y248 HydrophobicContact CG-CD2 3.73Å; E244-Y248 HydrophobicContact CG-CE2 3.56Å; E244-Y248 WeakPolarHBondContact O-CD2 3.09Å; E244-Y248 PolarHBondContact O-N 3.26Å; E244-L278 VanDerWaalsContact CD-CD2 3.49Å; E244-L278 HydrophobicContact CG-CD2 3.82Å; E244-L278 WeakPolarHBondContact OE1-CD2 3.47Å; E244-D352 WeakPolarHBondContact OE1-CA 3.49Å; E244-F353 HydrophobicContact CG-CB 4.12Å
245	C	95.8	Very high	94.3	Very high	9 Å²	9	51.8 Å²	51.8	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-55.7	-37.9	169.6	-84.8	0	0	0	0	113.4	F241 N243 R249 A264	F241-C245 WeakPolarHBondContact CE2-SG 3.47Å; F241-C245 VanDerWaalsContact CZ-SG 3.51Å; F241-C245 WeakPolarHBondContact O-CB 3.27Å; F241-C245 PolarHBondContact O-N 2.92Å; F241-C245 PolarHBondContact O-SG 3.42Å; N243-C245 PolarHBondContact O-N 3.42Å; C245-R249 VanDerWaalsContact CB-NH1 3.33Å; C245-R249 WeakPolarHBondContact O-CB 3.49Å; C245-R249 VanDerWaalsContact O-CG 3.29Å; C245-R249 WeakPolarHBondContact O-CG 3.3Å; C245-R249 PolarHBondContact O-N 3.42Å; C245-R249 PolarHBondContact SG-NH1 3.39Å; C245-R249 VanDerWaalsContact SG-NH1 3.4Å; C245-A264 WeakPolarHBondContact SG-CB 3.19Å
246	S	95.7	Very high	94.6	Very high	42 Å²	42	53.6 Å²	53.6	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-77.1	-26.9	-180	93.2	0	0	0	0	112.5	V242 N243 E244 K358	V242-S246 WeakPolarHBondContact O-CB 3.43Å; V242-S246 PolarHBondContact O-N 3.2Å; N243-S246 CarbonylContact O-C 3.08Å; N243-S246 WeakPolarHBondContact O-CA 3.37Å; N243-S246 WeakPolarHBondContact O-CB 3.38Å; N243-S246 PolarHBondContact O-N 2.97Å; N243-S246 PolarHBondContact O-OG 2.67Å; E244-S246 VanDerWaalsContact C-N 3.25Å; E244-S246 PolarHBondContact O-N 3.02Å; S246-K358 VanDerWaalsContact C-NZ 3.27Å; S246-K358 VanDerWaalsContact O-CE 3.32Å; S246-K358 WeakPolarHBondContact O-CE 3.36Å; S246-K358 PolarHBondContact O-NZ 3.08Å; S246-K358 PolarHBondContact OG-NZ 2.83Å
247	I	96.5	Very high	95	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-73.8	-55.3	173	-63	-77.3	0	0	0	108.3	N243 E244 R249 L250 L253 V330 F353 K358	N243-I247 WeakPolarHBondContact O-CG1 3.32Å; N243-I247 PolarHBondContact O-N 3.07Å; E244-I247 PolarHBondContact O-N 3.15Å; E244-I247 VanDerWaalsContact O-N 3.16Å; I247-R249 PolarHBondContact O-N 2.64Å; I247-R249 VanDerWaalsContact O-N 3.16Å; I247-L250 VanDerWaalsContact O-CB 3.23Å; I247-L250 WeakPolarHBondContact O-CB 3.36Å; I247-L250 VanDerWaalsContact O-CG 3.26Å; I247-L250 WeakPolarHBondContact O-CG 3.29Å; I247-L250 PolarHBondContact O-N 3.04Å; I247-L253 HydrophobicContact CG2-CD2 4.16Å; I247-L253 WeakPolarHBondContact O-CD2 3.39Å; I247-V330 HydrophobicContact CD1-CG1 3.98Å; I247-V330 HydrophobicContact CD1-CG2 4.31Å; I247-F353 HydrophobicContact CB-CB 3.82Å; I247-F353 HydrophobicContact CB-CG 4.34Å; I247-F353 HydrophobicContact CG1-CB 4.1Å; I247-F353 HydrophobicContact CG2-CB 3.69Å; I247-F353 HydrophobicContact CG2-CD1 3.85Å; I247-F353 HydrophobicContact CG2-CD2 4.33Å; I247-F353 HydrophobicContact CG2-CG 3.68Å; I247-K358 HydrophobicContact CD1-CD 4.35Å; I247-K358 HydrophobicContact CD1-CG 3.77Å
248	Y	97.6	Very high	95.4	Very high	15 Å²	15	47.9 Å²	47.9	6%	0.059	23%	0.233	C	C	.	.	H	α-helix	trans	-56.4	-33.1	-179.8	-81.9	-59.3	0	0	0	114.2	E244 L250 L253 I258 A259 F261 L278 M280 F353	E244-Y248 HydrophobicContact CG-CD2 3.73Å; E244-Y248 HydrophobicContact CG-CE2 3.56Å; E244-Y248 WeakPolarHBondContact O-CD2 3.09Å; E244-Y248 PolarHBondContact O-N 3.26Å; Y248-L250 VanDerWaalsContact C-N 3.27Å; Y248-L250 PolarHBondContact O-N 3.11Å; Y248-L253 HydrophobicContact CD1-CD2 4.22Å; Y248-I258 HydrophobicContact CE1-CG2 4.46Å; Y248-A259 WeakPolarHBondContact CE1-O 3.33Å; Y248-F261 HydrophobicContact CD1-CB 3.72Å; Y248-F261 HydrophobicContact CD1-CG 4.46Å; Y248-F261 HydrophobicContact CD2-CD2 4.25Å; Y248-F261 HydrophobicContact CE1-CB 4.39Å; Y248-F261 HydrophobicContact CG-CB 3.89Å; Y248-F261 HydrophobicContact CG-CD2 4.07Å; Y248-F261 HydrophobicContact CG-CG 4.13Å; Y248-L278 HydrophobicContact CD2-CD1 4.17Å; Y248-L278 HydrophobicContact CD2-CD2 4.37Å; Y248-L278 HydrophobicContact CE2-CD2 3.96Å; Y248-M280 HydrophobicContact CE2-SD 3.85Å; Y248-M280 PolarHBondContact OH-SD 3.13Å; Y248-F353 HydrophobicContact CD1-CD2 4.27Å; Y248-F353 HydrophobicContact CD1-CE2 4.28Å; Y248-F353 HydrophobicContact CD2-CD2 4.26Å; Y248-F353 AromaticContact CE1-CD2 3.71Å; Y248-F353 HydrophobicContact CE1-CD2 3.71Å; Y248-F353 AromaticContact CE1-CE2 3.49Å; Y248-F353 HydrophobicContact CE1-CE2 3.49Å; Y248-F353 VanDerWaalsContact CE1-CE2 3.49Å; Y248-F353 AromaticContact CE2-CD2 3.7Å; Y248-F353 HydrophobicContact CE2-CD2 3.7Å; Y248-F353 HydrophobicContact CE2-CE2 4.27Å; Y248-F353 AromaticContact CZ-CD2 3.4Å; Y248-F353 VanDerWaalsContact CZ-CD2 3.4Å; Y248-F353 AromaticContact CZ-CE2 3.5Å; Y248-F353 VanDerWaalsContact CZ-CE2 3.5Å; Y248-F353 WeakPolarHBondContact OH-CE2 3.48Å
249	R	95.9	Very high	95.7	Very high	137 Å²	137	42.8 Å²	42.8	52%	0.517	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	9.7	175.4	-69.9	178.6	174	88.7	-12.7	114.6	C245 I247 F261	C245-R249 VanDerWaalsContact CB-NH1 3.33Å; C245-R249 WeakPolarHBondContact O-CB 3.49Å; C245-R249 VanDerWaalsContact O-CG 3.29Å; C245-R249 WeakPolarHBondContact O-CG 3.3Å; C245-R249 PolarHBondContact O-N 3.42Å; C245-R249 PolarHBondContact SG-NH1 3.39Å; C245-R249 VanDerWaalsContact SG-NH1 3.4Å; I247-R249 PolarHBondContact O-N 2.64Å; I247-R249 VanDerWaalsContact O-N 3.16Å; R249-F261 HydrophobicContact CG-CE1 4.21Å
250	L	95.3	Very high	95.9	Very high	24 Å²	24	41.1 Å²	41.1	13%	0.126	20%	0.203	C	C	.	.	S	Bend	trans	-65.9	135.8	172.6	-77.9	174.9	0	0	0	110.9	I247 Y248 L252 L253 P328 V330 K358	I247-L250 VanDerWaalsContact O-CB 3.23Å; I247-L250 WeakPolarHBondContact O-CB 3.36Å; I247-L250 VanDerWaalsContact O-CG 3.26Å; I247-L250 WeakPolarHBondContact O-CG 3.29Å; I247-L250 PolarHBondContact O-N 3.04Å; Y248-L250 VanDerWaalsContact C-N 3.27Å; Y248-L250 PolarHBondContact O-N 3.11Å; L250-L252 PolarHBondContact O-N 3.09Å; L250-L253 HydrophobicContact CB-CB 4.28Å; L250-L253 PolarHBondContact O-N 3.08Å; L250-P328 HydrophobicContact CD1-CG 4.09Å; L250-P328 HydrophobicContact CD2-CG 4.02Å; L250-V330 HydrophobicContact CD1-CG2 3.74Å; L250-K358 HydrophobicContact CD1-CG 4.32Å; L250-K358 HydrophobicContact CD2-CD 4.23Å
251	P	94.5	Very high	96.2	Very high	56 Å²	56	42 Å²	42	36%	0.364	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	140.6	169.1	-23.1	33.4	0	0	0	110.7	L253 L325 K327	P251-L253 VanDerWaalsContact C-N 3.27Å; P251-L253 PolarHBondContact O-N 2.81Å; P251-L325 HydrophobicContact CB-CB 4.23Å; P251-L325 HydrophobicContact CB-CD2 4.33Å; P251-K327 VanDerWaalsContact O-CB 3.29Å; P251-K327 WeakPolarHBondContact O-CB 3.32Å
252	L	95.8	Very high	96.2	Very high	37 Å²	37	42.5 Å²	42.5	19%	0.194	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	27.2	178.1	-39	168.1	0	0	0	114.6	L250 Y315 L320 K322 L325 K327	L250-L252 PolarHBondContact O-N 3.09Å; L252-Y315 VanDerWaalsContact O-CE1 3.25Å; L252-Y315 WeakPolarHBondContact O-CE1 3.39Å; L252-Y315 PolarHBondContact O-OH 3.37Å; L252-L320 HydrophobicContact CD1-CB 4.14Å; L252-K322 HydrophobicContact CD1-CB 3.67Å; L252-K322 HydrophobicContact CD2-CB 4.1Å; L252-K322 HydrophobicContact CD2-CD 3.8Å; L252-L325 HydrophobicContact CD1-CB 4.07Å; L252-L325 HydrophobicContact CD2-CB 4.13Å; L252-L325 HydrophobicContact CD2-CD1 3.82Å; L252-L325 HydrophobicContact CG-CB 4.05Å; L252-K327 HydrophobicContact CB-CB 4.22Å
253	L	96.5	Very high	96.2	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	20%	0.2	C	C	.	.			trans	-80.5	-26	170.8	-163.1	76.1	0	0	0	113.2	I247 Y248 L250 P251 H255 I258 L316	I247-L253 HydrophobicContact CG2-CD2 4.16Å; I247-L253 WeakPolarHBondContact O-CD2 3.39Å; Y248-L253 HydrophobicContact CD1-CD2 4.22Å; L250-L253 HydrophobicContact CB-CB 4.28Å; L250-L253 PolarHBondContact O-N 3.08Å; P251-L253 VanDerWaalsContact C-N 3.27Å; P251-L253 PolarHBondContact O-N 2.81Å; L253-H255 PolarHBondContact O-N 3.09Å; L253-I258 HydrophobicContact CD1-CD1 4.11Å; L253-I258 HydrophobicContact CD2-CG2 4.32Å; L253-I258 HydrophobicContact CG-CD1 4.2Å; L253-I258 HydrophobicContact CG-CG2 4.4Å; L253-L316 HydrophobicContact CD1-CD1 4.05Å
254	E	95.7	Very high	96.2	Very high	161 Å²	161	39.9 Å²	39.9	75%	0.752	20%	0.198	S	C	*	.			trans	-59.5	119.2	-176.3	-172.5	178.3	-164.3	0	0	112
255	H	98	Very high	96.1	Very high	26 Å²	26	43 Å²	43	12%	0.12	22%	0.215	C	C	.	.			trans	-159.5	146	-172.4	174.3	-109.1	0	0	0	110.5	L253 N257 I258 R311 Y315	L253-H255 PolarHBondContact O-N 3.09Å; H255-N257 PolarHBondContact ND1-N 3.47Å; H255-N257 PolarHBondContact O-N 3.19Å; H255-I258 HydrophobicContact CB-CD1 4.41Å; H255-I258 PolarHBondContact O-N 3.44Å; H255-I258 VanDerWaalsContact O-O 3.11Å; H255-R311 PolarHBondContact NE2-NH1 3.14Å; H255-R311 PolarHBondContact NE2-NH2 3.4Å; H255-Y315 HydrophobicContact CB-CD1 3.62Å; H255-Y315 HydrophobicContact CB-CD2 4.26Å; H255-Y315 HydrophobicContact CB-CE1 3.62Å; H255-Y315 HydrophobicContact CB-CE2 4.25Å; H255-Y315 HydrophobicContact CB-CG 3.94Å; H255-Y315 AromaticContact CD2-CD2 3.53Å; H255-Y315 AromaticContact CD2-CE2 3.83Å; H255-Y315 AromaticContact CD2-CG 3.82Å; H255-Y315 AromaticContact CG-CD1 3.81Å; H255-Y315 AromaticContact CG-CD2 3.79Å; H255-Y315 AromaticContact CG-CG 3.6Å; H255-Y315 AromaticContact ND1-CG 3.87Å; H255-Y315 AromaticContact NE2-CD2 3.99Å
256	D	97.7	Very high	95.9	Very high	94 Å²	94	46.9 Å²	46.9	50%	0.503	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.7	-170.8	-40.9	-64.5	0	0	0	114.7	R311 K343	D256-R311 IonicContact OD2-CZ 2.62Å; D256-R311 VanDerWaalsContact OD2-CZ 3.25Å; D256-R311 IonicContact OD2-NH1 3.53Å; D256-R311 PolarHBondContact OD2-NH1 2.72Å; D256-R311 IonicContact OD2-NH2 2.67Å; D256-R311 PolarHBondContact OD2-NH2 2.84Å; D256-K343 WeakPolarHBondContact O-CE 3.46Å; D256-K343 PolarHBondContact O-NZ 3.07Å
257	N	98.7	Very high	95.6	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.027	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	17.5	-176.3	-54.2	115	0	0	0	113.5	H255 S308 R311 C348 V349 I350	H255-N257 PolarHBondContact ND1-N 3.47Å; H255-N257 PolarHBondContact O-N 3.19Å; N257-S308 WeakPolarHBondContact CB-O 3.42Å; N257-R311 PolarHBondContact OD1-NH1 3.38Å; N257-C348 WeakPolarHBondContact CA-O 3.26Å; N257-C348 PolarHBondContact ND2-O 2.87Å; N257-V349 WeakPolarHBondContact O-CA 3.15Å; N257-I350 PolarHBondContact O-N 3.05Å
258	I	98.5	Very high	95.1	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.041	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-115.2	140	164	-68.9	175	0	0	0	106.4	Y248 L253 H255 R260 Y315 L316 F353	Y248-I258 HydrophobicContact CE1-CG2 4.46Å; L253-I258 HydrophobicContact CD1-CD1 4.11Å; L253-I258 HydrophobicContact CD2-CG2 4.32Å; L253-I258 HydrophobicContact CG-CD1 4.2Å; L253-I258 HydrophobicContact CG-CG2 4.4Å; H255-I258 HydrophobicContact CB-CD1 4.41Å; H255-I258 PolarHBondContact O-N 3.44Å; H255-I258 VanDerWaalsContact O-O 3.11Å; I258-R260 PolarHBondContact O-N 3.47Å; I258-Y315 HydrophobicContact CD1-CD1 3.92Å; I258-L316 HydrophobicContact CD1-CB 4.5Å; I258-L316 HydrophobicContact CD1-CD1 4.21Å; I258-F353 HydrophobicContact CG2-CE2 4.07Å; I258-F353 HydrophobicContact CG2-CZ 3.88Å
259	A	97.4	Very high	94.3	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.025	26%	0.264	C	S	.	.			trans	-63.8	140.1	-177.8	0	0	0	0	0	111.5	Y248 F261 Y283 V349 I350 I351	Y248-A259 WeakPolarHBondContact CE1-O 3.33Å; A259-F261 PolarHBondContact O-N 3.37Å; A259-Y283 HydrophobicContact CB-CE2 4.02Å; A259-V349 HydrophobicContact CB-CB 4.3Å; A259-V349 HydrophobicContact CB-CG2 4.03Å; A259-I350 WeakPolarHBondContact CB-O 3.47Å; A259-I350 PolarHBondContact N-O 3.23Å; A259-I351 HydrophobicContact CB-CG2 3.41Å; A259-I351 VanDerWaalsContact CB-CG2 3.41Å
260	R	96.3	Very high	93.4	Very high	101 Å²	101	53 Å²	53	38%	0.381	28%	0.279	S	S	.	.			trans	-80.1	111	-175.2	-163.9	176.7	64.2	82.4	2.1	110.4	I258 M280 D281 Y283	I258-R260 PolarHBondContact O-N 3.47Å; R260-M280 VanDerWaalsContact O-CA 3.31Å; R260-M280 WeakPolarHBondContact O-CA 3.36Å; R260-D281 HydrophobicContact CB-CB 4.37Å; R260-D281 WeakPolarHBondContact CB-OD2 3.46Å; R260-D281 IonicContact CZ-OD1 2.75Å; R260-D281 IonicContact CZ-OD2 3.59Å; R260-D281 IonicContact NE-OD1 2.71Å; R260-D281 IonicContact NE-OD2 3.53Å; R260-D281 PolarHBondContact NE-OD2 3.35Å; R260-D281 VanDerWaalsContact NH2-CG 3.26Å; R260-D281 IonicContact NH2-OD1 3.4Å; R260-D281 PolarHBondContact NH2-OD1 2.81Å; R260-D281 IonicContact NH2-OD2 2.72Å; R260-D281 PolarHBondContact NH2-OD2 3.41Å; R260-D281 PolarHBondContact O-N 3.21Å; R260-Y283 PolarHBondContact N-OH 2.82Å; R260-Y283 VanDerWaalsContact N-OH 3.09Å
261	F	96.1	Very high	92.7	Very high	47 Å²	47	58.5 Å²	58.5	21%	0.206	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	140.9	167.7	178.6	-111.4	0	0	0	111	Y248 R249 A259 A263 A264 L278	Y248-F261 HydrophobicContact CD1-CB 3.72Å; Y248-F261 HydrophobicContact CD1-CG 4.46Å; Y248-F261 HydrophobicContact CD2-CD2 4.25Å; Y248-F261 HydrophobicContact CE1-CB 4.39Å; Y248-F261 HydrophobicContact CG-CB 3.89Å; Y248-F261 HydrophobicContact CG-CD2 4.07Å; Y248-F261 HydrophobicContact CG-CG 4.13Å; R249-F261 HydrophobicContact CG-CE1 4.21Å; A259-F261 PolarHBondContact O-N 3.37Å; F261-A263 VanDerWaalsContact CE2-C 3.44Å; F261-A263 WeakPolarHBondContact CE2-O 3.48Å; F261-A264 HydrophobicContact CE2-CB 3.86Å; F261-A264 HydrophobicContact CZ-CB 3.9Å; F261-L278 HydrophobicContact CD2-CD1 4.06Å; F261-L278 HydrophobicContact CE2-CD1 3.72Å
262	I	94.9	Very high	92.2	Very high	29 Å²	29	58.6 Å²	58.6	15%	0.149	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-57.6	177.5	-59.1	177.7	0	0	0	110.1	L199 L223 V228 V279 M280	L199-I262 HydrophobicContact CD1-CG2 3.74Å; L223-I262 HydrophobicContact CD2-CG2 4.04Å; V228-I262 HydrophobicContact CB-CD1 4.5Å; V228-I262 HydrophobicContact CG1-CD1 3.63Å; I262-V279 HydrophobicContact CB-CB 4.41Å; I262-V279 HydrophobicContact CB-CG1 4.16Å; I262-V279 WeakPolarHBondContact CB-O 3.33Å; I262-V279 HydrophobicContact CD1-CG1 4.41Å; I262-V279 HydrophobicContact CG2-CG1 4.39Å; I262-V279 PolarHBondContact N-O 3.44Å; I262-M280 VanDerWaalsContact CD1-C 3.5Å
263	A	94.1	Very high	91.7	Very high	15 Å²	15	64.7 Å²	64.7	12%	0.124	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	164.1	-175.9	0	0	0	0	0	111.1	L201 F261 V279	L201-A263 HydrophobicContact CD1-CB 4.22Å; L201-A263 HydrophobicContact CD2-CB 4.13Å; F261-A263 VanDerWaalsContact CE2-C 3.44Å; F261-A263 WeakPolarHBondContact CE2-O 3.48Å; A263-V279 HydrophobicContact CB-CB 4.3Å; A263-V279 HydrophobicContact CB-CG2 4.48Å; A263-V279 PolarHBondContact N-O 2.85Å; A263-V279 PolarHBondContact O-N 3.17Å
264	A	94.7	Very high	91.5	Very high	21 Å²	21	66.5 Å²	66.5	17%	0.174	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.1	166.9	0	0	0	0	0	111.9	F241 C245 F261 L277 L278	F241-A264 HydrophobicContact CE2-CB 3.91Å; F241-A264 HydrophobicContact CZ-CB 3.92Å; C245-A264 WeakPolarHBondContact SG-CB 3.19Å; F261-A264 HydrophobicContact CE2-CB 3.86Å; F261-A264 HydrophobicContact CZ-CB 3.9Å; A264-L277 CarbonylContact C-O 3.58Å; A264-L277 WeakPolarHBondContact CA-O 3.49Å; A264-L277 WeakPolarHBondContact CB-O 3.36Å; A264-L278 HydrophobicContact CB-CD1 4.18Å
265	D	92.6	Very high	91.3	Very high	68 Å²	68	60.9 Å²	60.9	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.7	-163.8	-176.5	37	0	0	0	112.7	L201 L277	L201-D265 HydrophobicContact CD1-CB 3.67Å; D265-L277 HydrophobicContact CB-CB 4.48Å; D265-L277 PolarHBondContact N-O 3.28Å; D265-L277 PolarHBondContact O-N 3.11Å
266	E	92.1	Very high	91.2	Very high	90 Å²	90	60 Å²	60	42%	0.421	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	112.8	173.6	173.7	169.2	-166.4	0	0	109.4	R238 S274 Y276	R238-E266 IonicContact NH2-OE2 3.48Å; E266-S274 PolarHBondContact OE1-OG 3.22Å; E266-Y276 HydrophobicContact CB-CD1 3.92Å; E266-Y276 HydrophobicContact CB-CE1 3.86Å; E266-Y276 VanDerWaalsContact CD-OH 3.26Å; E266-Y276 HydrophobicContact CG-CD1 4Å; E266-Y276 HydrophobicContact CG-CE1 3.52Å; E266-Y276 WeakPolarHBondContact OE1-CE1 3.23Å; E266-Y276 PolarHBondContact OE1-OH 2.86Å; E266-Y276 VanDerWaalsContact OE2-CE1 3.23Å; E266-Y276 WeakPolarHBondContact OE2-CE1 3.41Å
267	R	88.5	Confident	91.1	Very high	80 Å²	80	55.7 Å²	55.7	30%	0.302	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	157.5	179.9	76.7	-179.1	-172.6	-173.4	0.1	112	G269 E275 L277	R267-G269 PolarHBondContact O-N 3.45Å; R267-E275 HydrophobicContact CG-CB 4.03Å; R267-E275 IonicContact CZ-OE2 3.56Å; R267-E275 PolarHBondContact N-O 3.08Å; R267-E275 IonicContact NE-OE2 2.74Å; R267-E275 PolarHBondContact NE-OE2 2.93Å; R267-E275 IonicContact NH2-OE2 2.78Å; R267-E275 PolarHBondContact NH2-OE2 2.82Å; R267-E275 PolarHBondContact O-N 3.35Å; R267-L277 HydrophobicContact CG-CD1 3.94Å
268	T	86.8	Confident	90.9	Very high	108 Å²	108	55.4 Å²	55.4	66%	0.663	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	114.5	164.3	-50.3	0	0	0	0	109.2
269	G	80.5	Confident	90.8	Very high	6 Å²	6	55 Å²	55	6%	0.062	29%	0.292	C	S	.	.			trans	-69.5	170.7	173.2	0	0	0	0	0	112.8	R267 E271 G272 R273	R267-G269 PolarHBondContact O-N 3.45Å; G269-E271 PolarHBondContact O-N 3.2Å; G269-G272 PolarHBondContact O-N 3.06Å; G269-R273 PolarHBondContact N-O 2.82Å
270	P	75.8	Confident	90.7	Very high	127 Å²	127	55.5 Å²	55.5	83%	0.825	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.1	-171.4	24.9	-34.8	0	0	0	114.5	G272	P270-G272 VanDerWaalsContact C-N 3.32Å
271	E	80.9	Confident	90.7	Very high	141 Å²	141	52.8 Å²	52.8	66%	0.659	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	8.3	175.8	-58.2	-176.9	136.4	0	0	113.8	G269 R273	G269-E271 PolarHBondContact O-N 3.2Å; E271-R273 HydrophobicContact CB-CG 4.23Å; E271-R273 PolarHBondContact O-N 2.87Å; E271-R273 IonicContact OE1-NH1 3.59Å; E271-R273 WeakPolarHBondContact OE2-CD 3.44Å; E271-R273 IonicContact OE2-CZ 3.74Å; E271-R273 IonicContact OE2-NE 2.79Å; E271-R273 IonicContact OE2-NH1 2.68Å; E271-R273 PolarHBondContact OE2-NH1 3.13Å
272	G	83.9	Confident	90.7	Very high	58 Å²	58	54.1 Å²	54.1	60%	0.598	29%	0.291	S	S	*	.	S	Bend	trans	75.1	10	-174.1	0	0	0	0	0	114.5	G269 P270	G269-G272 PolarHBondContact O-N 3.06Å; P270-G272 VanDerWaalsContact C-N 3.32Å
273	R	86.8	Confident	90.8	Very high	164 Å²	164	54 Å²	54	62%	0.619	29%	0.288	S	S	*	.			trans	-95.7	145.5	-179.6	-64.1	173.2	173.4	163.9	-6.4	110.6	G269 E271 E275	G269-R273 PolarHBondContact N-O 2.82Å; E271-R273 HydrophobicContact CB-CG 4.23Å; E271-R273 PolarHBondContact O-N 2.87Å; E271-R273 IonicContact OE1-NH1 3.59Å; E271-R273 WeakPolarHBondContact OE2-CD 3.44Å; E271-R273 IonicContact OE2-CZ 3.74Å; E271-R273 IonicContact OE2-NE 2.79Å; E271-R273 IonicContact OE2-NH1 2.68Å; E271-R273 PolarHBondContact OE2-NH1 3.13Å; R273-E275 PolarHBondContact O-N 3.11Å
274	S	90.5	Very high	90.6	Very high	44 Å²	44	56.9 Å²	56.9	31%	0.308	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	128.7	172.3	-64.7	0	0	0	0	111.6	E266	E266-S274 PolarHBondContact OE1-OG 3.22Å
275	E	93.1	Very high	90.7	Very high	43 Å²	43	59.4 Å²	59.4	20%	0.201	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.4	167.9	-69.5	-179.9	173.9	0	0	109.1	V232 R267 R273 L277	V232-E275 HydrophobicContact CG1-CB 4.15Å; V232-E275 HydrophobicContact CG1-CG 4.31Å; R267-E275 HydrophobicContact CG-CB 4.03Å; R267-E275 IonicContact CZ-OE2 3.56Å; R267-E275 PolarHBondContact N-O 3.08Å; R267-E275 IonicContact NE-OE2 2.74Å; R267-E275 PolarHBondContact NE-OE2 2.93Å; R267-E275 IonicContact NH2-OE2 2.78Å; R267-E275 PolarHBondContact NH2-OE2 2.82Å; R267-E275 PolarHBondContact O-N 3.35Å; R273-E275 PolarHBondContact O-N 3.11Å; E275-L277 HydrophobicContact CB-CD1 4.18Å
276	Y	94.6	Very high	90.8	Very high	9 Å²	9	57.4 Å²	57.4	4%	0.035	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.1	178.9	-59.1	-88.9	0	0	0	109.5	V232 F233 R238 F241 E266	V232-Y276 CarbonylContact C-O 3.5Å; V232-Y276 WeakPolarHBondContact CA-O 3.37Å; F233-Y276 PolarHBondContact N-O 2.9Å; F233-Y276 PolarHBondContact O-N 3.2Å; R238-Y276 HydrophobicContact CB-CD2 4.23Å; R238-Y276 HydrophobicContact CB-CE2 3.87Å; R238-Y276 VanDerWaalsContact CD-CZ 3.5Å; R238-Y276 VanDerWaalsContact CD-OH 3.27Å; R238-Y276 WeakPolarHBondContact CD-OH 3.28Å; R238-Y276 HydrophobicContact CG-CD1 4.39Å; R238-Y276 HydrophobicContact CG-CD2 4.26Å; R238-Y276 HydrophobicContact CG-CE1 3.86Å; R238-Y276 HydrophobicContact CG-CE2 3.77Å; R238-Y276 VanDerWaalsContact NE-CZ 3.32Å; R238-Y276 PolarHBondContact NE-OH 3.26Å; F241-Y276 AromaticContact CD1-CD1 3.54Å; F241-Y276 HydrophobicContact CD1-CD1 3.54Å; F241-Y276 AromaticContact CD1-CG 3.75Å; F241-Y276 HydrophobicContact CD1-CG 3.75Å; F241-Y276 AromaticContact CE1-CD1 3.48Å; F241-Y276 HydrophobicContact CE1-CD1 3.48Å; F241-Y276 VanDerWaalsContact CE1-CD1 3.48Å; F241-Y276 HydrophobicContact CE1-CE1 4.49Å; F241-Y276 HydrophobicContact CE1-CG 4.02Å; F241-Y276 HydrophobicContact CG-CD1 4.35Å; F241-Y276 HydrophobicContact CG-CG 4.12Å; F241-Y276 HydrophobicContact CZ-CD1 4.24Å; E266-Y276 HydrophobicContact CB-CD1 3.92Å; E266-Y276 HydrophobicContact CB-CE1 3.86Å; E266-Y276 VanDerWaalsContact CD-OH 3.26Å; E266-Y276 HydrophobicContact CG-CD1 4Å; E266-Y276 HydrophobicContact CG-CE1 3.52Å; E266-Y276 WeakPolarHBondContact OE1-CE1 3.23Å; E266-Y276 PolarHBondContact OE1-OH 2.86Å; E266-Y276 VanDerWaalsContact OE2-CE1 3.23Å; E266-Y276 WeakPolarHBondContact OE2-CE1 3.41Å
277	L	95.3	Very high	91	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.4	-173.9	-88.3	63.5	0	0	0	109.9	L204 V230 V232 F241 A264 D265 R267 E275	L204-L277 HydrophobicContact CD2-CD2 3.87Å; V230-L277 HydrophobicContact CG1-CB 4.28Å; V230-L277 HydrophobicContact CG1-CD2 4.09Å; V230-L277 HydrophobicContact CG1-CG 3.91Å; V232-L277 HydrophobicContact CG1-CD1 4.13Å; V232-L277 HydrophobicContact CG2-CD1 4.21Å; V232-L277 HydrophobicContact CG2-CG 4.2Å; F241-L277 WeakPolarHBondContact CE2-O 3.28Å; A264-L277 CarbonylContact C-O 3.58Å; A264-L277 WeakPolarHBondContact CA-O 3.49Å; A264-L277 WeakPolarHBondContact CB-O 3.36Å; D265-L277 HydrophobicContact CB-CB 4.48Å; D265-L277 PolarHBondContact N-O 3.28Å; D265-L277 PolarHBondContact O-N 3.11Å; R267-L277 HydrophobicContact CG-CD1 3.94Å; E275-L277 HydrophobicContact CB-CD1 4.18Å
278	L	95.7	Very high	91.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.6	170	-176.7	87.6	0	0	0	108.5	V230 K231 F233 F241 E244 Y248 F261 A264 M280	V230-L278 WeakPolarHBondContact CA-O 3.25Å; K231-L278 HydrophobicContact CB-CB 4.3Å; K231-L278 HydrophobicContact CD-CD2 4.19Å; K231-L278 PolarHBondContact N-O 2.94Å; K231-L278 PolarHBondContact O-N 2.93Å; F233-L278 HydrophobicContact CE2-CB 3.84Å; F233-L278 HydrophobicContact CE2-CD2 4.48Å; F241-L278 HydrophobicContact CD2-CB 4.32Å; F241-L278 HydrophobicContact CE2-CB 4.25Å; E244-L278 VanDerWaalsContact CD-CD2 3.49Å; E244-L278 HydrophobicContact CG-CD2 3.82Å; E244-L278 WeakPolarHBondContact OE1-CD2 3.47Å; Y248-L278 HydrophobicContact CD2-CD1 4.17Å; Y248-L278 HydrophobicContact CD2-CD2 4.37Å; Y248-L278 HydrophobicContact CE2-CD2 3.96Å; F261-L278 HydrophobicContact CD2-CD1 4.06Å; F261-L278 HydrophobicContact CE2-CD1 3.72Å; A264-L278 HydrophobicContact CB-CD1 4.18Å; L278-M280 HydrophobicContact CD2-CE 3.96Å; L278-M280 HydrophobicContact CD2-CG 4.41Å; L278-M280 HydrophobicContact CD2-SD 3.83Å; L278-M280 HydrophobicContact CG-CG 4.39Å; L278-M280 HydrophobicContact CG-SD 4.44Å
279	V	96.4	Very high	92	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.3	-176.3	-170.4	0	0	0	0	109.7	L204 L223 V228 A229 V230 I262 A263	L204-V279 HydrophobicContact CD1-CG1 4.43Å; L204-V279 HydrophobicContact CD2-CG2 3.9Å; L223-V279 HydrophobicContact CD2-CG1 4.48Å; V228-V279 HydrophobicContact CB-CG1 3.97Å; V228-V279 HydrophobicContact CG1-CG1 4.25Å; V228-V279 HydrophobicContact CG2-CG1 4.12Å; A229-V279 WeakPolarHBondContact O-CA 3.34Å; V230-V279 HydrophobicContact CG1-CG2 4.33Å; V230-V279 HydrophobicContact CG2-CG1 4.44Å; V230-V279 HydrophobicContact CG2-CG2 4.43Å; I262-V279 HydrophobicContact CB-CB 4.41Å; I262-V279 HydrophobicContact CB-CG1 4.16Å; I262-V279 WeakPolarHBondContact CB-O 3.33Å; I262-V279 HydrophobicContact CD1-CG1 4.41Å; I262-V279 HydrophobicContact CG2-CG1 4.39Å; I262-V279 PolarHBondContact N-O 3.44Å; A263-V279 HydrophobicContact CB-CB 4.3Å; A263-V279 HydrophobicContact CB-CG2 4.48Å; A263-V279 PolarHBondContact N-O 2.85Å; A263-V279 PolarHBondContact O-N 3.17Å
280	M	96	Very high	92.8	Very high	13 Å²	13	50.6 Å²	50.6	6%	0.064	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	168.9	-176.7	-60.4	176.2	-68.3	0	0	110.3	V228 A229 K231 Y248 R260 I262 L278	V228-M280 WeakPolarHBondContact CA-O 3.44Å; V228-M280 WeakPolarHBondContact CB-O 3.5Å; A229-M280 PolarHBondContact N-O 3.24Å; A229-M280 PolarHBondContact O-N 3.01Å; K231-M280 HydrophobicContact CB-CE 4.4Å; Y248-M280 HydrophobicContact CE2-SD 3.85Å; Y248-M280 PolarHBondContact OH-SD 3.13Å; R260-M280 VanDerWaalsContact O-CA 3.31Å; R260-M280 WeakPolarHBondContact O-CA 3.36Å; I262-M280 VanDerWaalsContact CD1-C 3.5Å; L278-M280 HydrophobicContact CD2-CE 3.96Å; L278-M280 HydrophobicContact CD2-CG 4.41Å; L278-M280 HydrophobicContact CD2-SD 3.83Å; L278-M280 HydrophobicContact CG-CG 4.39Å; L278-M280 HydrophobicContact CG-SD 4.44Å
281	D	95.8	Very high	93.8	Very high	43 Å²	43	45.3 Å²	45.3	23%	0.23	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	144.4	168.3	-92	-20.7	0	0	0	112	R260 Y283	R260-D281 HydrophobicContact CB-CB 4.37Å; R260-D281 WeakPolarHBondContact CB-OD2 3.46Å; R260-D281 IonicContact CZ-OD1 2.75Å; R260-D281 IonicContact CZ-OD2 3.59Å; R260-D281 IonicContact NE-OD1 2.71Å; R260-D281 IonicContact NE-OD2 3.53Å; R260-D281 PolarHBondContact NE-OD2 3.35Å; R260-D281 VanDerWaalsContact NH2-CG 3.26Å; R260-D281 IonicContact NH2-OD1 3.4Å; R260-D281 PolarHBondContact NH2-OD1 2.81Å; R260-D281 IonicContact NH2-OD2 2.72Å; R260-D281 PolarHBondContact NH2-OD2 3.41Å; R260-D281 PolarHBondContact O-N 3.21Å; D281-Y283 HydrophobicContact CB-CE1 4.37Å; D281-Y283 HydrophobicContact CB-CE2 3.76Å; D281-Y283 VanDerWaalsContact O-CD2 3.27Å; D281-Y283 WeakPolarHBondContact O-CD2 3.48Å; D281-Y283 VanDerWaalsContact O-CE2 3.24Å; D281-Y283 WeakPolarHBondContact O-CE2 3.12Å
282	Y	96.3	Very high	94.7	Very high	76 Å²	76	38.6 Å²	38.6	30%	0.298	21%	0.208	S	C	.	.			trans	-86.2	133.1	170.6	178.4	-103.6	0	0	0	111	I210 C220 P227 P284	I210-Y282 HydrophobicContact CD1-CD2 4.21Å; I210-Y282 HydrophobicContact CD1-CE2 3.89Å; C220-Y282 HydrophobicContact CB-CD2 4.37Å; C220-Y282 HydrophobicContact CB-CE2 4.1Å; P227-Y282 HydrophobicContact CB-CD1 4.13Å; P227-Y282 HydrophobicContact CB-CG 4.35Å; Y282-P284 HydrophobicContact CE1-CB 3.94Å
283	Y	95.6	Very high	95.3	Very high	26 Å²	26	38.6 Å²	38.6	10%	0.102	20%	0.199	C	C	.	.			trans	-117.6	109.9	-178.6	-62.2	-80.8	0	0	0	109.7	A259 R260 D281 H285 G286 L341 K343 V349	A259-Y283 HydrophobicContact CB-CE2 4.02Å; R260-Y283 PolarHBondContact N-OH 2.82Å; R260-Y283 VanDerWaalsContact N-OH 3.09Å; D281-Y283 HydrophobicContact CB-CE1 4.37Å; D281-Y283 HydrophobicContact CB-CE2 3.76Å; D281-Y283 VanDerWaalsContact O-CD2 3.27Å; D281-Y283 WeakPolarHBondContact O-CD2 3.48Å; D281-Y283 VanDerWaalsContact O-CE2 3.24Å; D281-Y283 WeakPolarHBondContact O-CE2 3.12Å; Y283-H285 VanDerWaalsContact C-N 3.32Å; Y283-H285 PolarHBondContact O-N 3.19Å; Y283-G286 PolarHBondContact O-N 3.29Å; Y283-G286 VanDerWaalsContact O-N 3.14Å; Y283-L341 HydrophobicContact CD2-CB 4.41Å; Y283-L341 HydrophobicContact CD2-CD1 3.59Å; Y283-L341 HydrophobicContact CE2-CD1 4.44Å; Y283-L341 HydrophobicContact CG-CB 4.32Å; Y283-L341 HydrophobicContact CG-CD1 4.2Å; Y283-K343 HydrophobicContact CD1-CG 3.84Å; Y283-K343 HydrophobicContact CE1-CG 3.97Å; Y283-V349 HydrophobicContact CD1-CG2 4.24Å; Y283-V349 HydrophobicContact CD2-CG2 4.11Å; Y283-V349 HydrophobicContact CE1-CG1 4.06Å; Y283-V349 HydrophobicContact CE1-CG2 4.03Å; Y283-V349 HydrophobicContact CE2-CG2 3.88Å; Y283-V349 HydrophobicContact CG-CG2 4.28Å
284	P	91.6	Very high	95.8	Very high	75 Å²	75	35.5 Å²	35.5	49%	0.487	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.8	-160.7	28.3	-36.8	0	0	0	115.5	Y282 G286 A344	Y282-P284 HydrophobicContact CE1-CB 3.94Å; P284-G286 VanDerWaalsContact C-N 3.33Å; P284-A344 HydrophobicContact CG-CB 4.27Å
285	H	95.3	Very high	95.9	Very high	74 Å²	74	37.3 Å²	37.3	34%	0.343	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.4	174.6	-66.3	-71.2	0	0	0	113.3	Y283 Y291 V342 K343	Y283-H285 VanDerWaalsContact C-N 3.32Å; Y283-H285 PolarHBondContact O-N 3.19Å; H285-Y291 HydrophobicContact CB-CD2 3.96Å; H285-V342 HydrophobicContact CB-CB 3.87Å; H285-V342 HydrophobicContact CB-CG1 4.04Å; H285-K343 PolarHBondContact CD2-O 3.27Å
286	G	95.1	Very high	96.1	Very high	26 Å²	26	38 Å²	38	27%	0.268	21%	0.209	S	C	.	.			trans	64.5	-149.1	179.1	0	0	0	0	0	112.7	Y283 P284 L341 V342	Y283-G286 PolarHBondContact O-N 3.29Å; Y283-G286 VanDerWaalsContact O-N 3.14Å; P284-G286 VanDerWaalsContact C-N 3.33Å; G286-L341 VanDerWaalsContact O-CA 3.26Å; G286-L341 WeakPolarHBondContact O-CA 3.26Å; G286-V342 PolarHBondContact O-N 2.93Å
287	S	97.1	Very high	96.2	Very high	26 Å²	26	37.9 Å²	37.9	18%	0.182	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-73.8	153.5	178.7	66	0	0	0	0	112.4	S289 H290 Y291 I340	S287-S289 WeakPolarHBondContact CB-OG 3.44Å; S287-S289 PolarHBondContact O-N 3.46Å; S287-S289 PolarHBondContact OG-OG 3.13Å; S287-H290 PolarHBondContact O-N 3.48Å; S287-H290 WeakPolarHBondContact OG-CB 3.41Å; S287-H290 PolarHBondContact OG-N 2.77Å; S287-Y291 WeakPolarHBondContact O-CB 3.38Å; S287-Y291 PolarHBondContact O-N 3.23Å; S287-I340 CarbonylContact C-O 3.5Å; S287-I340 VanDerWaalsContact CA-O 3.27Å; S287-I340 WeakPolarHBondContact CA-O 3.28Å
288	L	98.5	Very high	96.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.5	-38.9	173.8	178.2	63.8	0	0	0	111.5	Y291 L292 L305 S337 I340 V342 V413 I417	L288-Y291 PolarHBondContact O-N 3.5Å; L288-L292 HydrophobicContact CD1-CD1 3.9Å; L288-L292 HydrophobicContact CD1-CD2 4.48Å; L288-L292 HydrophobicContact CD1-CG 3.94Å; L288-L292 HydrophobicContact CD2-CD1 4.48Å; L288-L292 HydrophobicContact CG-CD1 3.77Å; L288-L292 HydrophobicContact CG-CG 4.24Å; L288-L292 VanDerWaalsContact O-CB 3.25Å; L288-L292 WeakPolarHBondContact O-CB 3.37Å; L288-L292 WeakPolarHBondContact O-CG 3.29Å; L288-L292 PolarHBondContact O-N 2.92Å; L288-L305 HydrophobicContact CD1-CD1 4.48Å; L288-L305 HydrophobicContact CD1-CD2 4.23Å; L288-S337 PolarHBondContact N-O 2.76Å; L288-I340 HydrophobicContact CB-CB 4.11Å; L288-I340 HydrophobicContact CB-CG2 3.96Å; L288-I340 HydrophobicContact CD2-CB 4.41Å; L288-I340 HydrophobicContact CD2-CD1 4.23Å; L288-I340 HydrophobicContact CD2-CG2 4.06Å; L288-I340 PolarHBondContact N-O 3.43Å; L288-V342 HydrophobicContact CB-CG2 4.21Å; L288-V342 HydrophobicContact CD1-CG2 3.91Å; L288-V413 HydrophobicContact CD2-CG1 3.84Å; L288-I417 HydrophobicContact CD1-CG1 4.27Å; L288-I417 HydrophobicContact CD2-CD1 3.92Å; L288-I417 HydrophobicContact CD2-CG1 3.9Å; L288-I417 HydrophobicContact CG-CG1 4.5Å
289	S	97.4	Very high	96.2	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-39.5	173.7	39.9	0	0	0	0	113.7	S287 S293 S337 R338 Y433	S287-S289 WeakPolarHBondContact CB-OG 3.44Å; S287-S289 PolarHBondContact O-N 3.46Å; S287-S289 PolarHBondContact OG-OG 3.13Å; S289-S293 PolarHBondContact O-N 3.04Å; S289-S337 WeakPolarHBondContact CB-O 3.29Å; S289-S337 PolarHBondContact N-O 2.82Å; S289-S337 PolarHBondContact OG-O 3.43Å; S289-R338 WeakPolarHBondContact OG-CA 3.26Å; S289-R338 WeakPolarHBondContact OG-CG 3.41Å; S289-Y433 VanDerWaalsContact CB-OH 3.28Å; S289-Y433 WeakPolarHBondContact CB-OH 3.45Å
290	H	96.6	Very high	96.1	Very high	104 Å²	104	42.9 Å²	42.9	48%	0.481	24%	0.237	S	C	.	.	H	α-helix	trans	-72.2	-46	174.5	176.4	72.5	0	0	0	111.2	S287 L292 S293 V294	S287-H290 PolarHBondContact O-N 3.48Å; S287-H290 WeakPolarHBondContact OG-CB 3.41Å; S287-H290 PolarHBondContact OG-N 2.77Å; H290-L292 VanDerWaalsContact C-N 3.34Å; H290-L292 PolarHBondContact O-N 2.84Å; H290-S293 PolarHBondContact O-N 3.26Å; H290-S293 PolarHBondContact O-OG 2.9Å; H290-V294 PolarHBondContact O-N 3.16Å
291	Y	98.1	Very high	96.2	Very high	16 Å²	16	44.8 Å²	44.8	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-56.4	-46.3	175.9	177.2	-94.4	0	0	0	111.8	H285 S287 L288 S293 V294 Q295 N297 L305 V342	H285-Y291 HydrophobicContact CB-CD2 3.96Å; S287-Y291 WeakPolarHBondContact O-CB 3.38Å; S287-Y291 PolarHBondContact O-N 3.23Å; L288-Y291 PolarHBondContact O-N 3.5Å; Y291-S293 PolarHBondContact O-N 3.04Å; Y291-V294 PolarHBondContact O-N 3.46Å; Y291-Q295 HydrophobicContact CE2-CG 4.49Å; Y291-Q295 VanDerWaalsContact CE2-OE1 3.25Å; Y291-Q295 WeakPolarHBondContact O-CA 3.42Å; Y291-Q295 VanDerWaalsContact O-CB 3.31Å; Y291-Q295 WeakPolarHBondContact O-CB 3.41Å; Y291-Q295 PolarHBondContact O-N 3.03Å; Y291-Q295 PolarHBondContact OH-NE2 3.06Å; Y291-Q295 VanDerWaalsContact OH-NE2 3.1Å; Y291-N297 WeakPolarHBondContact CE1-OD1 3.13Å; Y291-N297 PolarHBondContact OH-OD1 3.38Å; Y291-L305 HydrophobicContact CD1-CD1 4.44Å; Y291-L305 HydrophobicContact CE1-CD1 3.81Å; Y291-L305 HydrophobicContact CE1-CD2 4.31Å; Y291-V342 HydrophobicContact CD1-CG2 4.2Å; Y291-V342 HydrophobicContact CD2-CB 4.45Å; Y291-V342 HydrophobicContact CD2-CG1 4.11Å; Y291-V342 HydrophobicContact CE2-CG1 4.2Å; Y291-V342 HydrophobicContact CG-CB 4.35Å; Y291-V342 HydrophobicContact CG-CG1 4.3Å; Y291-V342 HydrophobicContact CG-CG2 4.02Å
292	L	98.3	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.5	-29	178.5	-70.7	172.6	0	0	0	113.2	L288 H290 E416 I417 R420 Y433	L288-L292 HydrophobicContact CD1-CD1 3.9Å; L288-L292 HydrophobicContact CD1-CD2 4.48Å; L288-L292 HydrophobicContact CD1-CG 3.94Å; L288-L292 HydrophobicContact CD2-CD1 4.48Å; L288-L292 HydrophobicContact CG-CD1 3.77Å; L288-L292 HydrophobicContact CG-CG 4.24Å; L288-L292 VanDerWaalsContact O-CB 3.25Å; L288-L292 WeakPolarHBondContact O-CB 3.37Å; L288-L292 WeakPolarHBondContact O-CG 3.29Å; L288-L292 PolarHBondContact O-N 2.92Å; H290-L292 VanDerWaalsContact C-N 3.34Å; H290-L292 PolarHBondContact O-N 2.84Å; L292-E416 HydrophobicContact CD1-CB 4.26Å; L292-I417 HydrophobicContact CD1-CG1 4.22Å; L292-R420 HydrophobicContact CB-CG 4.28Å; L292-R420 HydrophobicContact CD2-CB 3.9Å; L292-R420 HydrophobicContact CD2-CG 4.14Å; L292-R420 PolarHBondContact O-NE 3.33Å; L292-R420 PolarHBondContact O-NH2 3.11Å; L292-Y433 HydrophobicContact CB-CD2 3.57Å; L292-Y433 HydrophobicContact CB-CE2 3.9Å; L292-Y433 HydrophobicContact CB-CG 4.24Å; L292-Y433 HydrophobicContact CD1-CD2 4.34Å; L292-Y433 HydrophobicContact CD1-CE2 4.04Å
293	S	97.5	Very high	96.3	Very high	58 Å²	58	39.1 Å²	39.1	41%	0.406	22%	0.223	S	C	.	.	H	α-helix	trans	-71	-43	175.8	75.3	0	0	0	0	112.1	S289 H290 Y291 R420	S289-S293 PolarHBondContact O-N 3.04Å; H290-S293 PolarHBondContact O-N 3.26Å; H290-S293 PolarHBondContact O-OG 2.9Å; Y291-S293 PolarHBondContact O-N 3.04Å; S293-R420 PolarHBondContact O-NH2 3.37Å; S293-R420 VanDerWaalsContact O-NH2 3.09Å
294	V	96.4	Very high	96.4	Very high	99 Å²	99	42.7 Å²	42.7	60%	0.6	24%	0.236	S	C	*	.	H	α-helix	trans	-82.8	-23.7	179.4	-55.1	0	0	0	0	114.3	H290 Y291	H290-V294 PolarHBondContact O-N 3.16Å; Y291-V294 PolarHBondContact O-N 3.46Å
295	Q	93.7	Very high	96.8	Very high	82 Å²	82	39.1 Å²	39.1	38%	0.383	21%	0.213	S	C	.	.			trans	-132.6	137.1	-170.9	-177	167.6	-13.9	0	0	113.6	Y291	Y291-Q295 HydrophobicContact CE2-CG 4.49Å; Y291-Q295 VanDerWaalsContact CE2-OE1 3.25Å; Y291-Q295 WeakPolarHBondContact O-CA 3.42Å; Y291-Q295 VanDerWaalsContact O-CB 3.31Å; Y291-Q295 WeakPolarHBondContact O-CB 3.41Å; Y291-Q295 PolarHBondContact O-N 3.03Å; Y291-Q295 PolarHBondContact OH-NE2 3.06Å; Y291-Q295 VanDerWaalsContact OH-NE2 3.1Å
296	T	96.6	Very high	96.9	Very high	56 Å²	56	35.6 Å²	35.6	34%	0.344	20%	0.196	S	C	.	.			trans	-96.1	154.1	164.4	55.1	0	0	0	0	110.5	R420 V430	T296-R420 WeakPolarHBondContact CA-O 3.47Å; T296-V430 HydrophobicContact CG2-CB 4.06Å; T296-V430 HydrophobicContact CG2-CG1 3.83Å; T296-V430 HydrophobicContact CG2-CG2 4.43Å
297	N	96.6	Very high	97.1	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-120.6	162	-175.7	-61.2	-86.1	0	0	0	110.3	Y291 N301 R420 C421 T422	Y291-N297 WeakPolarHBondContact CE1-OD1 3.13Å; Y291-N297 PolarHBondContact OH-OD1 3.38Å; N297-N301 HydrophobicContact CB-CB 4.3Å; N297-R420 PolarHBondContact N-O 2.91Å; N297-C421 CarbonylContact O-C 3.54Å; N297-C421 WeakPolarHBondContact O-CA 3.4Å; N297-T422 PolarHBondContact O-N 2.89Å; N297-T422 PolarHBondContact O-OG1 3.44Å
298	D	95.6	Very high	97.2	Very high	57 Å²	57	35.5 Å²	35.5	31%	0.305	19%	0.187	S	C	.	.			trans	-86.5	174.7	163.5	72.3	-22.4	0	0	0	110.1	V300 N301 S302	D298-V300 VanDerWaalsContact C-N 3.26Å; D298-V300 PolarHBondContact O-N 3.47Å; D298-N301 PolarHBondContact O-N 3.1Å; D298-N301 VanDerWaalsContact OD1-CB 3.28Å; D298-N301 WeakPolarHBondContact OD1-CB 3.44Å; D298-N301 PolarHBondContact OD1-N 2.94Å; D298-N301 PolarHBondContact OD1-ND2 3.15Å; D298-S302 PolarHBondContact O-N 3.19Å; D298-S302 PolarHBondContact O-OG 3.35Å
299	W	95.1	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-41.4	179.9	177.4	-85.6	0	0	0	112.4	N301 S302 C303 F418 C421 D423 L424 A473 V474 L477 L505 W509	W299-N301 PolarHBondContact O-N 3.45Å; W299-S302 PolarHBondContact O-N 2.88Å; W299-C303 PolarHBondContact NE1-SG 3.24Å; W299-C303 VanDerWaalsContact NE1-SG 3.35Å; W299-C303 WeakPolarHBondContact O-CB 3.39Å; W299-C303 PolarHBondContact O-N 3.21Å; W299-F418 HydrophobicContact CD2-CE1 4.4Å; W299-F418 HydrophobicContact CE3-CD1 4.41Å; W299-F418 HydrophobicContact CE3-CE1 4.05Å; W299-F418 HydrophobicContact CH2-CE1 4.35Å; W299-F418 HydrophobicContact CZ3-CD1 4.29Å; W299-F418 HydrophobicContact CZ3-CE1 4.02Å; W299-C421 VanDerWaalsContact CA-SG 3.59Å; W299-D423 HydrophobicContact CB-CB 3.85Å; W299-D423 WeakPolarHBondContact CB-OD2 3Å; W299-D423 PolarHBondContact N-OD2 3.1Å; W299-L424 HydrophobicContact CE3-CD2 4.36Å; W299-L424 HydrophobicContact CE3-CG 4.33Å; W299-L424 HydrophobicContact CZ3-CD1 4.3Å; W299-L424 HydrophobicContact CZ3-CD2 4Å; W299-L424 HydrophobicContact CZ3-CG 4.28Å; W299-A473 HydrophobicContact CH2-CB 4.03Å; W299-A473 HydrophobicContact CZ2-CB 3.76Å; W299-V474 HydrophobicContact CZ3-CG2 4.32Å; W299-L477 HydrophobicContact CH2-CB 4.08Å; W299-L477 HydrophobicContact CH2-CD2 3.77Å; W299-L477 HydrophobicContact CH2-CG 4.49Å; W299-L477 HydrophobicContact CZ3-CD2 3.74Å; W299-L505 HydrophobicContact CZ2-CB 4.19Å; W299-L505 HydrophobicContact CZ2-CD1 4.37Å; W299-W509 HydrophobicContact CB-CD2 4.16Å; W299-W509 HydrophobicContact CB-CH2 4.44Å; W299-W509 HydrophobicContact CB-CZ2 3.74Å; W299-W509 AromaticContact CD1-CD1 3.28Å; W299-W509 AromaticContact CD1-CD2 3.52Å; W299-W509 AromaticContact CD1-CE2 3.74Å; W299-W509 AromaticContact CD1-CG 3.24Å; W299-W509 AromaticContact CD1-NE1 3.51Å; W299-W509 AromaticContact CD2-CD2 3.6Å; W299-W509 HydrophobicContact CD2-CD2 3.6Å; W299-W509 AromaticContact CD2-CE2 3.91Å; W299-W509 AromaticContact CD2-CE3 3.57Å; W299-W509 HydrophobicContact CD2-CE3 3.57Å; W299-W509 HydrophobicContact CD2-CG 4.12Å; W299-W509 HydrophobicContact CD2-CH2 4.23Å; W299-W509 HydrophobicContact CD2-CZ2 4.23Å; W299-W509 AromaticContact CD2-CZ3 3.89Å; W299-W509 HydrophobicContact CD2-CZ3 3.89Å; W299-W509 AromaticContact CE2-CD2 3.72Å; W299-W509 AromaticContact CE2-CE3 3.64Å; W299-W509 AromaticContact CE2-CG 3.88Å; W299-W509 HydrophobicContact CE3-CD2 4.32Å; W299-W509 AromaticContact CE3-CE3 3.88Å; W299-W509 HydrophobicContact CE3-CE3 3.88Å; W299-W509 HydrophobicContact CE3-CH2 4.07Å; W299-W509 HydrophobicContact CE3-CZ2 4.46Å; W299-W509 AromaticContact CE3-CZ3 3.74Å; W299-W509 HydrophobicContact CE3-CZ3 3.74Å; W299-W509 AromaticContact CG-CD1 3.79Å; W299-W509 AromaticContact CG-CD2 3.48Å; W299-W509 HydrophobicContact CG-CD2 3.48Å; W299-W509 VanDerWaalsContact CG-CD2 3.48Å; W299-W509 AromaticContact CG-CE2 3.42Å; W299-W509 VanDerWaalsContact CG-CE2 3.42Å; W299-W509 AromaticContact CG-CE3 3.98Å; W299-W509 HydrophobicContact CG-CE3 3.98Å; W299-W509 AromaticContact CG-CG 3.75Å; W299-W509 HydrophobicContact CG-CG 3.75Å; W299-W509 HydrophobicContact CG-CH2 4.4Å; W299-W509 AromaticContact CG-CZ2 3.93Å; W299-W509 HydrophobicContact CG-CZ2 3.93Å; W299-W509 HydrophobicContact CG-CZ3 4.41Å; W299-W509 AromaticContact CG-NE1 3.53Å; W299-W509 HydrophobicContact CH2-CE3 4.31Å; W299-W509 HydrophobicContact CZ2-CD2 4.49Å; W299-W509 HydrophobicContact CZ2-CE3 4.03Å; W299-W509 HydrophobicContact CZ3-CE3 4.24Å; W299-W509 HydrophobicContact CZ3-CZ3 4.09Å; W299-W509 VanDerWaalsContact NE1-CB 3.33Å; W299-W509 AromaticContact NE1-CD1 3.83Å; W299-W509 AromaticContact NE1-CD2 3.64Å; W299-W509 AromaticContact NE1-CG 3.31Å; W299-W509 VanDerWaalsContact NE1-CG 3.31Å
300	V	95.4	Very high	97.2	Very high	50 Å²	50	35 Å²	35	30%	0.303	18%	0.183	S	C	.	.	H	α-helix	trans	-65.4	-41.6	-175.6	-178.6	0	0	0	0	110.9	D298 R304 L506	D298-V300 VanDerWaalsContact C-N 3.26Å; D298-V300 PolarHBondContact O-N 3.47Å; V300-R304 WeakPolarHBondContact O-CB 3.23Å; V300-R304 PolarHBondContact O-N 2.92Å; V300-L506 HydrophobicContact CG1-CD2 4.36Å
301	N	96.9	Very high	97.3	Very high	54 Å²	54	33.8 Å²	33.8	29%	0.289	17%	0.174	S	C	.	.	H	α-helix	trans	-79.8	-31.4	177.8	-64.8	-59.6	0	0	0	112.9	N297 D298 W299 R304 L305	N297-N301 HydrophobicContact CB-CB 4.3Å; D298-N301 PolarHBondContact O-N 3.1Å; D298-N301 VanDerWaalsContact OD1-CB 3.28Å; D298-N301 WeakPolarHBondContact OD1-CB 3.44Å; D298-N301 PolarHBondContact OD1-N 2.94Å; D298-N301 PolarHBondContact OD1-ND2 3.15Å; W299-N301 PolarHBondContact O-N 3.45Å; N301-R304 WeakPolarHBondContact O-CB 3.3Å; N301-R304 PolarHBondContact O-N 2.8Å; N301-R304 PolarHBondContact OD1-NE 3.37Å; N301-R304 PolarHBondContact OD1-NH2 2.92Å; N301-L305 VanDerWaalsContact O-CG 3.26Å; N301-L305 WeakPolarHBondContact O-CG 3.45Å; N301-L305 PolarHBondContact O-N 2.75Å
302	S	98.1	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-44.3	167.1	-75	0	0	0	0	111.9	D298 W299 L305 A306 I417 C421	D298-S302 PolarHBondContact O-N 3.19Å; D298-S302 PolarHBondContact O-OG 3.35Å; W299-S302 PolarHBondContact O-N 2.88Å; S302-L305 PolarHBondContact O-N 3.04Å; S302-A306 WeakPolarHBondContact O-CB 3.42Å; S302-A306 PolarHBondContact O-N 2.91Å; S302-I417 WeakPolarHBondContact O-CG2 3.2Å; S302-I417 PolarHBondContact OG-O 3.39Å; S302-C421 WeakPolarHBondContact OG-CB 3.34Å
303	C	97.3	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-39.6	172	-81.6	0	0	0	0	112.8	W299 A306 H307 L506	W299-C303 PolarHBondContact NE1-SG 3.24Å; W299-C303 VanDerWaalsContact NE1-SG 3.35Å; W299-C303 WeakPolarHBondContact O-CB 3.39Å; W299-C303 PolarHBondContact O-N 3.21Å; C303-A306 PolarHBondContact O-N 3.07Å; C303-H307 WeakPolarHBondContact O-CB 3.33Å; C303-H307 PolarHBondContact O-N 3.16Å; C303-L506 HydrophobicContact CB-CD1 4.39Å; C303-L506 HydrophobicContact CB-CD2 3.51Å; C303-L506 HydrophobicContact CB-CG 3.84Å
304	R	97.6	Very high	97.5	Very high	100 Å²	100	30.4 Å²	30.4	38%	0.377	15%	0.153	S	C	.	.	H	α-helix	trans	-59	-50.1	175.9	-174.4	-169.3	-52.3	-69.9	-6.4	111.5	V300 N301 S308 G346 T347	V300-R304 WeakPolarHBondContact O-CB 3.23Å; V300-R304 PolarHBondContact O-N 2.92Å; N301-R304 WeakPolarHBondContact O-CB 3.3Å; N301-R304 PolarHBondContact O-N 2.8Å; N301-R304 PolarHBondContact OD1-NE 3.37Å; N301-R304 PolarHBondContact OD1-NH2 2.92Å; R304-S308 WeakPolarHBondContact O-CB 3.47Å; R304-S308 PolarHBondContact O-N 3.04Å; R304-S308 PolarHBondContact O-OG 3.38Å; R304-G346 WeakPolarHBondContact CD-O 3.37Å; R304-G346 WeakPolarHBondContact CG-O 3.48Å; R304-T347 HydrophobicContact CG-CG2 4.07Å
305	L	98.6	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.8	-57.1	177.1	-67.3	163.2	0	0	0	109.8	L288 Y291 N301 S302 H307 S308 V309 V342 G346 C348 I417	L288-L305 HydrophobicContact CD1-CD1 4.48Å; L288-L305 HydrophobicContact CD1-CD2 4.23Å; Y291-L305 HydrophobicContact CD1-CD1 4.44Å; Y291-L305 HydrophobicContact CE1-CD1 3.81Å; Y291-L305 HydrophobicContact CE1-CD2 4.31Å; N301-L305 VanDerWaalsContact O-CG 3.26Å; N301-L305 WeakPolarHBondContact O-CG 3.45Å; N301-L305 PolarHBondContact O-N 2.75Å; S302-L305 PolarHBondContact O-N 3.04Å; L305-H307 PolarHBondContact O-N 3.42Å; L305-S308 PolarHBondContact O-N 3.04Å; L305-S308 PolarHBondContact O-OG 3.29Å; L305-V309 WeakPolarHBondContact O-CG2 3.44Å; L305-V309 PolarHBondContact O-N 3.14Å; L305-V309 VanDerWaalsContact O-N 3.11Å; L305-V342 HydrophobicContact CD2-CG1 4.07Å; L305-V342 HydrophobicContact CD2-CG2 4.07Å; L305-G346 WeakPolarHBondContact CD2-O 3.34Å; L305-C348 VanDerWaalsContact CD2-SG 3.55Å; L305-I417 HydrophobicContact CB-CD1 4.28Å; L305-I417 HydrophobicContact CB-CG2 4.2Å; L305-I417 HydrophobicContact CD1-CG2 4.44Å
306	A	98.6	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.9	-53.4	-178.4	0	0	0	0	0	112.5	S302 C303 S308 V309 T310 Y414 I417 F418 L502	S302-A306 WeakPolarHBondContact O-CB 3.42Å; S302-A306 PolarHBondContact O-N 2.91Å; C303-A306 PolarHBondContact O-N 3.07Å; A306-S308 VanDerWaalsContact C-N 3.27Å; A306-S308 PolarHBondContact O-N 3.36Å; A306-V309 PolarHBondContact O-N 3.24Å; A306-T310 PolarHBondContact O-N 3.44Å; A306-T310 PolarHBondContact O-OG1 3.19Å; A306-Y414 HydrophobicContact CB-CD1 4.05Å; A306-Y414 HydrophobicContact CB-CE1 4.19Å; A306-I417 HydrophobicContact CB-CD1 4.08Å; A306-F418 HydrophobicContact CB-CE2 3.96Å; A306-L502 HydrophobicContact CB-CD1 3.84Å; A306-L502 HydrophobicContact CB-CD2 4.43Å
307	H	98.4	Very high	97.9	Very high	45 Å²	45	22.4 Å²	22.4	21%	0.208	10%	0.103	C	C	.	.	H	α-helix	trans	-59.1	-39.3	-179.1	-176.8	-48.8	0	0	0	111.7	C303 L305 T310 R311 E499 L502	C303-H307 WeakPolarHBondContact O-CB 3.33Å; C303-H307 PolarHBondContact O-N 3.16Å; L305-H307 PolarHBondContact O-N 3.42Å; H307-T310 PolarHBondContact O-N 3.27Å; H307-R311 VanDerWaalsContact O-CB 3.32Å; H307-R311 WeakPolarHBondContact O-CB 3.47Å; H307-R311 PolarHBondContact O-N 3.22Å; H307-E499 IonicContact CE1-OE1 2.77Å; H307-E499 PolarHBondContact CE1-OE1 3.38Å; H307-L502 HydrophobicContact CB-CB 4.21Å; H307-L502 HydrophobicContact CB-CD1 4.44Å
308	S	98.7	Very high	97.9	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-68.4	-38.4	-179.6	68.2	0	0	0	0	112.7	N257 R304 L305 A306 G312 C348	N257-S308 WeakPolarHBondContact CB-O 3.42Å; R304-S308 WeakPolarHBondContact O-CB 3.47Å; R304-S308 PolarHBondContact O-N 3.04Å; R304-S308 PolarHBondContact O-OG 3.38Å; L305-S308 PolarHBondContact O-N 3.04Å; L305-S308 PolarHBondContact O-OG 3.29Å; A306-S308 VanDerWaalsContact C-N 3.27Å; A306-S308 PolarHBondContact O-N 3.36Å; S308-G312 PolarHBondContact O-N 3.38Å; S308-G312 VanDerWaalsContact O-N 3.16Å; S308-C348 WeakPolarHBondContact OG-CB 3.41Å; S308-C348 PolarHBondContact OG-N 3.43Å
309	V	98.7	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-49.6	170.5	178.8	0	0	0	0	110.4	L305 A306 R311 G312 L313 I340 C348 L410	L305-V309 WeakPolarHBondContact O-CG2 3.44Å; L305-V309 PolarHBondContact O-N 3.14Å; L305-V309 VanDerWaalsContact O-N 3.11Å; A306-V309 PolarHBondContact O-N 3.24Å; V309-R311 PolarHBondContact O-N 2.75Å; V309-G312 WeakPolarHBondContact O-CA 3.42Å; V309-G312 PolarHBondContact O-N 3.08Å; V309-L313 PolarHBondContact O-N 3.12Å; V309-I340 HydrophobicContact CG1-CD1 3.66Å; V309-I340 HydrophobicContact CG1-CG1 4.34Å; V309-I340 HydrophobicContact CG2-CD1 4.07Å; V309-I340 HydrophobicContact CG2-CG2 3.71Å; V309-C348 HydrophobicContact CG2-CB 3.5Å; V309-C348 VanDerWaalsContact CG2-CB 3.5Å; V309-L410 HydrophobicContact CB-CD1 4.46Å; V309-L410 HydrophobicContact CG1-CD1 3.63Å
310	T	98.8	Very high	97.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.4	-40.1	-175.5	-52	0	0	0	0	112.6	A306 H307 G312 L313 A314 L410 Y414 A495 A498 E499 L502	A306-T310 PolarHBondContact O-N 3.44Å; A306-T310 PolarHBondContact O-OG1 3.19Å; H307-T310 PolarHBondContact O-N 3.27Å; T310-G312 VanDerWaalsContact C-N 3.31Å; T310-G312 PolarHBondContact O-N 2.98Å; T310-L313 PolarHBondContact O-N 3.26Å; T310-A314 VanDerWaalsContact O-CB 3.32Å; T310-A314 WeakPolarHBondContact O-CB 3.16Å; T310-A314 PolarHBondContact O-N 3.45Å; T310-L410 HydrophobicContact CG2-CD2 4Å; T310-Y414 WeakPolarHBondContact CG2-OH 3.32Å; T310-Y414 VanDerWaalsContact OG1-CE1 3.27Å; T310-Y414 WeakPolarHBondContact OG1-CE1 3.27Å; T310-Y414 PolarHBondContact OG1-OH 3.24Å; T310-A495 WeakPolarHBondContact CG2-O 3.2Å; T310-A498 HydrophobicContact CG2-CB 3.76Å; T310-E499 HydrophobicContact CG2-CB 4.08Å; T310-E499 VanDerWaalsContact CG2-N 3.33Å; T310-L502 HydrophobicContact CG2-CD1 4.45Å; T310-L502 WeakPolarHBondContact OG1-CD1 3.15Å
311	R	98.8	Very high	97.8	Very high	80 Å²	80	32.3 Å²	32.3	30%	0.302	15%	0.147	S	C	.	.	H	α-helix	trans	-61.6	-38.7	171.8	-176.7	176.2	170.4	-107.8	2.6	111.8	H255 D256 N257 H307 V309 Y315 E499	H255-R311 PolarHBondContact NE2-NH1 3.14Å; H255-R311 PolarHBondContact NE2-NH2 3.4Å; D256-R311 IonicContact OD2-CZ 2.62Å; D256-R311 VanDerWaalsContact OD2-CZ 3.25Å; D256-R311 IonicContact OD2-NH1 3.53Å; D256-R311 PolarHBondContact OD2-NH1 2.72Å; D256-R311 IonicContact OD2-NH2 2.67Å; D256-R311 PolarHBondContact OD2-NH2 2.84Å; N257-R311 PolarHBondContact OD1-NH1 3.38Å; H307-R311 VanDerWaalsContact O-CB 3.32Å; H307-R311 WeakPolarHBondContact O-CB 3.47Å; H307-R311 PolarHBondContact O-N 3.22Å; V309-R311 PolarHBondContact O-N 2.75Å; R311-Y315 WeakPolarHBondContact O-CB 3.48Å; R311-Y315 PolarHBondContact O-N 3.34Å; R311-E499 HydrophobicContact CB-CG 4.4Å; R311-E499 WeakPolarHBondContact CB-OE1 3.45Å; R311-E499 WeakPolarHBondContact CD-OE1 3.28Å; R311-E499 WeakPolarHBondContact CG-OE1 3.36Å
312	G	98.8	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-47.1	171.8	0	0	0	0	0	112.7	S308 V309 T310 Y315 L316	S308-G312 PolarHBondContact O-N 3.38Å; S308-G312 VanDerWaalsContact O-N 3.16Å; V309-G312 WeakPolarHBondContact O-CA 3.42Å; V309-G312 PolarHBondContact O-N 3.08Å; T310-G312 VanDerWaalsContact C-N 3.31Å; T310-G312 PolarHBondContact O-N 2.98Å; G312-Y315 PolarHBondContact O-N 2.87Å; G312-L316 PolarHBondContact O-N 3.3Å
313	L	98.9	Very high	97.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.9	-40.2	179.1	-167.7	70.5	0	0	0	112.1	V309 T310 Y315 L316 H317 H332 L335 I350 D406 M407 L410 A495	V309-L313 PolarHBondContact O-N 3.12Å; T310-L313 PolarHBondContact O-N 3.26Å; L313-Y315 VanDerWaalsContact C-N 3.31Å; L313-Y315 PolarHBondContact O-N 2.88Å; L313-L316 HydrophobicContact CD1-CD2 4.23Å; L313-L316 WeakPolarHBondContact O-CB 3.37Å; L313-L316 PolarHBondContact O-N 3.3Å; L313-L316 VanDerWaalsContact O-N 3.14Å; L313-H317 WeakPolarHBondContact O-CB 3.27Å; L313-H317 PolarHBondContact O-N 3.15Å; L313-H332 HydrophobicContact CD1-CB 4.42Å; L313-L335 HydrophobicContact CD1-CD2 4.12Å; L313-L335 HydrophobicContact CD2-CD2 3.85Å; L313-I350 HydrophobicContact CB-CD1 4.04Å; L313-I350 HydrophobicContact CD1-CD1 4.33Å; L313-D406 HydrophobicContact CD1-CB 4.12Å; L313-D406 HydrophobicContact CD2-CB 4.1Å; L313-M407 HydrophobicContact CD2-SD 3.8Å; L313-L410 HydrophobicContact CD2-CB 4.33Å; L313-L410 HydrophobicContact CD2-CD2 3.9Å; L313-A495 HydrophobicContact CB-CB 4.44Å; L313-A495 HydrophobicContact CD2-CB 4.3Å; L313-A495 HydrophobicContact CG-CB 4.3Å
314	A	98.8	Very high	97.1	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-42.6	175.4	0	0	0	0	0	111.3	T310 H317 T318 A495	T310-A314 VanDerWaalsContact O-CB 3.32Å; T310-A314 WeakPolarHBondContact O-CB 3.16Å; T310-A314 PolarHBondContact O-N 3.45Å; A314-H317 PolarHBondContact O-N 3.47Å; A314-T318 VanDerWaalsContact O-CB 3.27Å; A314-T318 WeakPolarHBondContact O-CB 3.5Å; A314-T318 PolarHBondContact O-N 2.99Å; A314-T318 PolarHBondContact O-OG1 3.11Å; A314-A495 HydrophobicContact CB-CB 3.88Å
315	Y	98.7	Very high	97	Very high	58 Å²	58	48.1 Å²	48.1	23%	0.227	25%	0.25	C	C	.	.	H	α-helix	trans	-64.2	-41.1	173.7	-163.5	-89.2	0	0	0	112.5	L252 H255 I258 R311 G312 L313 T318 L320 K327	L252-Y315 VanDerWaalsContact O-CE1 3.25Å; L252-Y315 WeakPolarHBondContact O-CE1 3.39Å; L252-Y315 PolarHBondContact O-OH 3.37Å; H255-Y315 HydrophobicContact CB-CD1 3.62Å; H255-Y315 HydrophobicContact CB-CD2 4.26Å; H255-Y315 HydrophobicContact CB-CE1 3.62Å; H255-Y315 HydrophobicContact CB-CE2 4.25Å; H255-Y315 HydrophobicContact CB-CG 3.94Å; H255-Y315 AromaticContact CD2-CD2 3.53Å; H255-Y315 AromaticContact CD2-CE2 3.83Å; H255-Y315 AromaticContact CD2-CG 3.82Å; H255-Y315 AromaticContact CG-CD1 3.81Å; H255-Y315 AromaticContact CG-CD2 3.79Å; H255-Y315 AromaticContact CG-CG 3.6Å; H255-Y315 AromaticContact ND1-CG 3.87Å; H255-Y315 AromaticContact NE2-CD2 3.99Å; I258-Y315 HydrophobicContact CD1-CD1 3.92Å; R311-Y315 WeakPolarHBondContact O-CB 3.48Å; R311-Y315 PolarHBondContact O-N 3.34Å; G312-Y315 PolarHBondContact O-N 2.87Å; L313-Y315 VanDerWaalsContact C-N 3.31Å; L313-Y315 PolarHBondContact O-N 2.88Å; Y315-T318 PolarHBondContact O-N 3.42Å; Y315-L320 HydrophobicContact CE1-CD1 4.24Å; Y315-L320 HydrophobicContact CE2-CD1 3.87Å; Y315-K327 HydrophobicContact CE1-CD 4.36Å; Y315-K327 VanDerWaalsContact O-CE 3.23Å; Y315-K327 WeakPolarHBondContact O-CE 3.4Å; Y315-K327 PolarHBondContact O-NZ 3.34Å; Y315-K327 VanDerWaalsContact O-NZ 3.11Å
316	L	98.3	Very high	96.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-46.7	176.4	-167.5	69.8	0	0	0	111.6	L253 I258 G312 L313 T318 K327 V330 H332 F353	L253-L316 HydrophobicContact CD1-CD1 4.05Å; I258-L316 HydrophobicContact CD1-CB 4.5Å; I258-L316 HydrophobicContact CD1-CD1 4.21Å; G312-L316 PolarHBondContact O-N 3.3Å; L313-L316 HydrophobicContact CD1-CD2 4.23Å; L313-L316 WeakPolarHBondContact O-CB 3.37Å; L313-L316 PolarHBondContact O-N 3.3Å; L313-L316 VanDerWaalsContact O-N 3.14Å; L316-T318 VanDerWaalsContact C-N 3.33Å; L316-T318 PolarHBondContact O-N 3.38Å; L316-K327 PolarHBondContact O-NZ 3.06Å; L316-V330 CarbonylContact C-O 3.58Å; L316-V330 HydrophobicContact CD1-CB 3.83Å; L316-V330 HydrophobicContact CD1-CG1 3.74Å; L316-V330 HydrophobicContact CD2-CG1 4.3Å; L316-V330 HydrophobicContact CG-CB 3.9Å; L316-V330 HydrophobicContact CG-CG1 3.92Å; L316-V330 PolarHBondContact O-N 3.15Å; L316-H332 HydrophobicContact CD2-CB 4.02Å; L316-F353 HydrophobicContact CD1-CD1 4.29Å; L316-F353 HydrophobicContact CD1-CE1 3.68Å; L316-F353 HydrophobicContact CD1-CZ 4.46Å; L316-F353 HydrophobicContact CD2-CD1 4.47Å; L316-F353 HydrophobicContact CD2-CE1 3.85Å; L316-F353 HydrophobicContact CG-CE1 4.43Å
317	H	98.2	Very high	96.5	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-21.3	179.4	-77.9	-162.3	0	0	0	114.5	L313 A314 A329 V330 K403 D406	L313-H317 WeakPolarHBondContact O-CB 3.27Å; L313-H317 PolarHBondContact O-N 3.15Å; A314-H317 PolarHBondContact O-N 3.47Å; H317-A329 WeakPolarHBondContact O-CB 3.47Å; H317-V330 PolarHBondContact CD2-O 3.29Å; H317-V330 VanDerWaalsContact CD2-O 3.28Å; H317-K403 HydrophobicContact CB-CD 4.18Å; H317-K403 HydrophobicContact CB-CG 4.42Å; H317-K403 PolarHBondContact CE1-O 3.23Å; H317-K403 WeakPolarHBondContact O-CE 3.48Å; H317-K403 PolarHBondContact O-NZ 3.4Å; H317-D406 IonicContact CD2-OD2 3.14Å; H317-D406 IonicContact CE1-OD2 2.76Å; H317-D406 IonicContact NE2-OD2 2.68Å; H317-D406 PolarHBondContact NE2-OD2 2.89Å
318	T	96.8	Very high	96.3	Very high	52 Å²	52	49.9 Å²	49.9	32%	0.319	26%	0.255	S	S	.	.	S	Bend	trans	-84.3	131	-176.3	-64.4	0	0	0	0	111.8	A314 Y315 L316 L320 K327	A314-T318 VanDerWaalsContact O-CB 3.27Å; A314-T318 WeakPolarHBondContact O-CB 3.5Å; A314-T318 PolarHBondContact O-N 2.99Å; A314-T318 PolarHBondContact O-OG1 3.11Å; Y315-T318 PolarHBondContact O-N 3.42Å; L316-T318 VanDerWaalsContact C-N 3.33Å; L316-T318 PolarHBondContact O-N 3.38Å; T318-L320 HydrophobicContact CG2-CD2 3.62Å; T318-L320 HydrophobicContact CG2-CG 4.17Å; T318-K327 PolarHBondContact O-NZ 3.4Å
319	E	94.9	Very high	96.2	Very high	80 Å²	80	49.6 Å²	49.6	37%	0.374	25%	0.253	S	S	.	.			trans	-78.7	131	168.5	-172.7	179.6	-126.4	0	0	109.9	F321 Y326 K327 A329	E319-F321 HydrophobicContact CG-CD2 4.5Å; E319-F321 HydrophobicContact CG-CE2 3.8Å; E319-F321 HydrophobicContact CG-CZ 4.37Å; E319-F321 WeakPolarHBondContact OE2-CE2 3.2Å; E319-Y326 HydrophobicContact CG-CE2 3.61Å; E319-Y326 WeakPolarHBondContact OE1-CE2 3.45Å; E319-Y326 PolarHBondContact OE1-OH 2.97Å; E319-K327 WeakPolarHBondContact CA-O 3.35Å; E319-K327 WeakPolarHBondContact CG-O 3.45Å; E319-A329 HydrophobicContact CB-CB 4.49Å
320	L	95	Very high	96.1	Very high	48 Å²	48	49.6 Å²	49.6	25%	0.251	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.1	-176.8	-58.2	173.8	0	0	0	112.1	L252 Y315 T318 K327	L252-L320 HydrophobicContact CD1-CB 4.14Å; Y315-L320 HydrophobicContact CE1-CD1 4.24Å; Y315-L320 HydrophobicContact CE2-CD1 3.87Å; T318-L320 HydrophobicContact CG2-CD2 3.62Å; T318-L320 HydrophobicContact CG2-CG 4.17Å; L320-K327 HydrophobicContact CB-CB 4.04Å; L320-K327 HydrophobicContact CD1-CD 3.92Å; L320-K327 HydrophobicContact CG-CD 4.26Å; L320-K327 PolarHBondContact N-O 3.48Å; L320-K327 PolarHBondContact O-N 2.98Å
321	F	94.6	Very high	96	Very high	142 Å²	142	49.6 Å²	49.6	62%	0.623	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.8	172.4	-64.6	-95	0	0	0	109.5	E319 Y326	E319-F321 HydrophobicContact CG-CD2 4.5Å; E319-F321 HydrophobicContact CG-CE2 3.8Å; E319-F321 HydrophobicContact CG-CZ 4.37Å; E319-F321 WeakPolarHBondContact OE2-CE2 3.2Å; F321-Y326 AromaticContact CD1-CD2 3.69Å; F321-Y326 HydrophobicContact CD1-CD2 3.69Å; F321-Y326 HydrophobicContact CD1-CE2 4.39Å; F321-Y326 HydrophobicContact CD2-CD2 4.47Å; F321-Y326 AromaticContact CE1-CD2 3.29Å; F321-Y326 HydrophobicContact CE1-CD2 3.29Å; F321-Y326 AromaticContact CE1-CE2 3.63Å; F321-Y326 HydrophobicContact CE1-CE2 3.63Å; F321-Y326 HydrophobicContact CE1-CG 4.2Å; F321-Y326 HydrophobicContact CE2-CD2 4.14Å; F321-Y326 AromaticContact CE2-CE2 3.95Å; F321-Y326 HydrophobicContact CE2-CE2 3.95Å; F321-Y326 HydrophobicContact CG-CD2 4.27Å; F321-Y326 AromaticContact CZ-CD2 3.55Å; F321-Y326 HydrophobicContact CZ-CD2 3.55Å; F321-Y326 AromaticContact CZ-CE2 3.37Å; F321-Y326 HydrophobicContact CZ-CE2 3.37Å
322	K	93.9	Very high	95.9	Very high	148 Å²	148	45.8 Å²	45.8	64%	0.643	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.9	87.1	179	-168.8	-177.7	-179.9	-177.3	0	110.5	L252 L325	L252-K322 HydrophobicContact CD1-CB 3.67Å; L252-K322 HydrophobicContact CD2-CB 4.1Å; L252-K322 HydrophobicContact CD2-CD 3.8Å; K322-L325 PolarHBondContact N-O 3.05Å; K322-L325 WeakPolarHBondContact O-CB 3.45Å; K322-L325 PolarHBondContact O-N 2.84Å
323	G	93.4	Very high	95.8	Very high	77 Å²	77	47.2 Å²	47.2	79%	0.794	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	-133.7	-166.9	0	0	0	0	0	109.8	L325	G323-L325 PolarHBondContact O-N 3.44Å
324	D	91.6	Very high	95.6	Very high	173 Å²	173	47.9 Å²	47.9	93%	0.925	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.2	175.7	-56.2	-61	0	0	0	113.8
325	L	94.1	Very high	95.6	Very high	89 Å²	89	47.9 Å²	47.9	47%	0.466	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.3	177.7	-56.2	-179.8	0	0	0	111.1	P251 L252 K322 G323	P251-L325 HydrophobicContact CB-CB 4.23Å; P251-L325 HydrophobicContact CB-CD2 4.33Å; L252-L325 HydrophobicContact CD1-CB 4.07Å; L252-L325 HydrophobicContact CD2-CB 4.13Å; L252-L325 HydrophobicContact CD2-CD1 3.82Å; L252-L325 HydrophobicContact CG-CB 4.05Å; K322-L325 PolarHBondContact N-O 3.05Å; K322-L325 WeakPolarHBondContact O-CB 3.45Å; K322-L325 PolarHBondContact O-N 2.84Å; G323-L325 PolarHBondContact O-N 3.44Å
326	Y	92.8	Very high	95.6	Very high	77 Å²	77	45.2 Å²	45.2	30%	0.302	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.4	-179.7	171.8	-117.6	0	0	0	111.3	E319 F321 P328	E319-Y326 HydrophobicContact CG-CE2 3.61Å; E319-Y326 WeakPolarHBondContact OE1-CE2 3.45Å; E319-Y326 PolarHBondContact OE1-OH 2.97Å; F321-Y326 AromaticContact CD1-CD2 3.69Å; F321-Y326 HydrophobicContact CD1-CD2 3.69Å; F321-Y326 HydrophobicContact CD1-CE2 4.39Å; F321-Y326 HydrophobicContact CD2-CD2 4.47Å; F321-Y326 AromaticContact CE1-CD2 3.29Å; F321-Y326 HydrophobicContact CE1-CD2 3.29Å; F321-Y326 AromaticContact CE1-CE2 3.63Å; F321-Y326 HydrophobicContact CE1-CE2 3.63Å; F321-Y326 HydrophobicContact CE1-CG 4.2Å; F321-Y326 HydrophobicContact CE2-CD2 4.14Å; F321-Y326 AromaticContact CE2-CE2 3.95Å; F321-Y326 HydrophobicContact CE2-CE2 3.95Å; F321-Y326 HydrophobicContact CG-CD2 4.27Å; F321-Y326 AromaticContact CZ-CD2 3.55Å; F321-Y326 HydrophobicContact CZ-CD2 3.55Å; F321-Y326 AromaticContact CZ-CE2 3.37Å; F321-Y326 HydrophobicContact CZ-CE2 3.37Å; Y326-P328 HydrophobicContact CE1-CB 4.02Å
327	K	95.3	Very high	95.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.1	167.4	-172.2	-156.9	160.3	-74.4	0	108.1	P251 L252 Y315 L316 T318 E319 L320	P251-K327 VanDerWaalsContact O-CB 3.29Å; P251-K327 WeakPolarHBondContact O-CB 3.32Å; L252-K327 HydrophobicContact CB-CB 4.22Å; Y315-K327 HydrophobicContact CE1-CD 4.36Å; Y315-K327 VanDerWaalsContact O-CE 3.23Å; Y315-K327 WeakPolarHBondContact O-CE 3.4Å; Y315-K327 PolarHBondContact O-NZ 3.34Å; Y315-K327 VanDerWaalsContact O-NZ 3.11Å; L316-K327 PolarHBondContact O-NZ 3.06Å; T318-K327 PolarHBondContact O-NZ 3.4Å; E319-K327 WeakPolarHBondContact CA-O 3.35Å; E319-K327 WeakPolarHBondContact CG-O 3.45Å; L320-K327 HydrophobicContact CB-CB 4.04Å; L320-K327 HydrophobicContact CD1-CD 3.92Å; L320-K327 HydrophobicContact CG-CD 4.26Å; L320-K327 PolarHBondContact N-O 3.48Å; L320-K327 PolarHBondContact O-N 2.98Å
328	P	94.3	Very high	95.4	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.026	26%	0.256	C	S	.	.			trans	-65.4	161.7	169.2	30.9	-35.4	0	0	0	110.6	L250 Y326 K358 T360	L250-P328 HydrophobicContact CD1-CG 4.09Å; L250-P328 HydrophobicContact CD2-CG 4.02Å; Y326-P328 HydrophobicContact CE1-CB 4.02Å; P328-K358 HydrophobicContact CG-CB 4.26Å; P328-K358 HydrophobicContact CG-CG 4.28Å; P328-T360 HydrophobicContact CB-CG2 3.86Å
329	A	95.8	Very high	95.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	147.6	159.5	0	0	0	0	0	109.8	H317 E319 L359	H317-A329 WeakPolarHBondContact O-CB 3.47Å; E319-A329 HydrophobicContact CB-CB 4.49Å; A329-L359 HydrophobicContact CB-CB 4Å; A329-L359 HydrophobicContact CB-CD1 4.35Å; A329-L359 WeakPolarHBondContact O-CB 3.29Å; A329-L359 PolarHBondContact O-N 3.07Å
330	V	96.5	Very high	95.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.2	177.7	172.2	0	0	0	0	108.7	I247 L250 L316 H317 M357 K358	I247-V330 HydrophobicContact CD1-CG1 3.98Å; I247-V330 HydrophobicContact CD1-CG2 4.31Å; L250-V330 HydrophobicContact CD1-CG2 3.74Å; L316-V330 CarbonylContact C-O 3.58Å; L316-V330 HydrophobicContact CD1-CB 3.83Å; L316-V330 HydrophobicContact CD1-CG1 3.74Å; L316-V330 HydrophobicContact CD2-CG1 4.3Å; L316-V330 HydrophobicContact CG-CB 3.9Å; L316-V330 HydrophobicContact CG-CG1 3.92Å; L316-V330 PolarHBondContact O-N 3.15Å; H317-V330 PolarHBondContact CD2-O 3.29Å; H317-V330 VanDerWaalsContact CD2-O 3.28Å; V330-M357 VanDerWaalsContact CA-O 3.26Å; V330-M357 WeakPolarHBondContact CA-O 3.37Å; V330-K358 HydrophobicContact CG2-CG 4.35Å
331	S	96.6	Very high	95.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	143.8	165.1	50.6	0	0	0	0	110.5	S356 M357 L402 D406	S331-S356 CarbonylContact O-C 3.6Å; S331-S356 WeakPolarHBondContact O-CA 3.35Å; S331-S356 WeakPolarHBondContact O-CB 3.22Å; S331-M357 PolarHBondContact N-O 3.28Å; S331-M357 PolarHBondContact O-N 2.87Å; S331-L402 WeakPolarHBondContact OG-CB 3.13Å; S331-D406 VanDerWaalsContact CA-OD2 3.27Å; S331-D406 WeakPolarHBondContact CA-OD2 3.3Å; S331-D406 WeakPolarHBondContact CB-OD2 3.41Å
332	H	97.8	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.			trans	-77.7	-46.8	-176.1	-164	-100.5	0	0	0	112	L313 L316 D334 L335 I350 I351 F353 S356 D406	L313-H332 HydrophobicContact CD1-CB 4.42Å; L316-H332 HydrophobicContact CD2-CB 4.02Å; H332-D334 PolarHBondContact CE1-O 2.79Å; H332-D334 PolarHBondContact ND1-O 3.18Å; H332-D334 PolarHBondContact O-N 3.09Å; H332-D334 VanDerWaalsContact O-N 3.15Å; H332-L335 HydrophobicContact CB-CB 4.34Å; H332-L335 WeakPolarHBondContact ND1-CA 3.29Å; H332-L335 PolarHBondContact ND1-N 3.4Å; H332-L335 VanDerWaalsContact ND1-N 3.14Å; H332-I350 WeakPolarHBondContact NE2-CG2 3.48Å; H332-I351 PolarHBondContact CE1-O 2.83Å; H332-I351 PolarHBondContact NE2-O 3.49Å; H332-F353 AromaticContact CD2-CD1 3.75Å; H332-F353 AromaticContact CD2-CE1 3.66Å; H332-S356 WeakPolarHBondContact CA-OG 3.47Å; H332-S356 WeakPolarHBondContact O-CA 3.24Å; H332-S356 PolarHBondContact O-OG 3.24Å; H332-D406 WeakPolarHBondContact CB-OD1 3.25Å; H332-D406 PolarHBondContact N-OD1 2.9Å; H332-D406 PolarHBondContact N-OD2 3.22Å
333	R	95.3	Very high	96.2	Very high	31 Å²	31	31.9 Å²	31.9	12%	0.117	17%	0.17	C	C	.	.	S	Bend	trans	67.5	-6.3	177.2	-57.1	174.8	65.3	-134.5	6.9	116.7	L355 A374 I375 G379 D406	R333-L355 HydrophobicContact CB-CB 4.49Å; R333-L355 WeakPolarHBondContact CD-O 3.19Å; R333-L355 PolarHBondContact NH1-O 2.78Å; R333-A374 PolarHBondContact NH2-O 3.01Å; R333-A374 VanDerWaalsContact NH2-O 3.16Å; R333-I375 VanDerWaalsContact NH2-CA 3.3Å; R333-I375 PolarHBondContact NH2-O 2.85Å; R333-G379 WeakPolarHBondContact O-CA 3.37Å; R333-D406 PolarHBondContact N-OD1 3.01Å
334	D	96.1	Very high	96.2	Very high	14 Å²	14	32.1 Å²	32.1	8%	0.075	16%	0.164	C	C	.	.	S	Bend	trans	-142.5	50.5	165.9	-167.1	23.9	0	0	0	111.2	H332 N336 N339 L355 T380	H332-D334 PolarHBondContact CE1-O 2.79Å; H332-D334 PolarHBondContact ND1-O 3.18Å; H332-D334 PolarHBondContact O-N 3.09Å; H332-D334 VanDerWaalsContact O-N 3.15Å; D334-N336 PolarHBondContact O-N 3.39Å; D334-N336 PolarHBondContact O-ND2 3.06Å; D334-N336 PolarHBondContact OD1-ND2 2.77Å; D334-N336 VanDerWaalsContact OD1-ND2 3.09Å; D334-N339 PolarHBondContact O-ND2 3.02Å; D334-N339 PolarHBondContact OD2-ND2 3.14Å; D334-N339 VanDerWaalsContact OD2-ND2 3.08Å; D334-L355 HydrophobicContact CB-CD1 3.93Å; D334-T380 VanDerWaalsContact OD1-CB 3.24Å; D334-T380 WeakPolarHBondContact OD1-CB 3.26Å; D334-T380 PolarHBondContact OD1-N 2.8Å; D334-T380 PolarHBondContact OD1-OG1 3.2Å; D334-T380 PolarHBondContact OD2-OG1 3.49Å
335	L	98.2	Very high	96.4	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	14%	0.144	C	C	.	.			trans	-73.9	124.6	177.3	-172.9	68.5	0	0	0	109.6	L313 H332 I340 I350 A409 L410	L313-L335 HydrophobicContact CD1-CD2 4.12Å; L313-L335 HydrophobicContact CD2-CD2 3.85Å; H332-L335 HydrophobicContact CB-CB 4.34Å; H332-L335 WeakPolarHBondContact ND1-CA 3.29Å; H332-L335 PolarHBondContact ND1-N 3.4Å; H332-L335 VanDerWaalsContact ND1-N 3.14Å; L335-I340 HydrophobicContact CD1-CD1 4.16Å; L335-I340 HydrophobicContact CD1-CG1 4.23Å; L335-I350 HydrophobicContact CD1-CD1 4.32Å; L335-I350 HydrophobicContact CD1-CG2 4.44Å; L335-A409 HydrophobicContact CB-CB 4.2Å; L335-A409 WeakPolarHBondContact O-CB 3.23Å; L335-L410 HydrophobicContact CD2-CB 3.96Å; L335-L410 HydrophobicContact CD2-CD1 4.2Å
336	N	97.8	Very high	96.4	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.011	13%	0.129	C	C	.	.	S	Bend	trans	-163.8	171	178.2	61.1	65.5	0	0	0	109.7	D334 R338 N339 I340 Y383	D334-N336 PolarHBondContact O-N 3.39Å; D334-N336 PolarHBondContact O-ND2 3.06Å; D334-N336 PolarHBondContact OD1-ND2 2.77Å; D334-N336 VanDerWaalsContact OD1-ND2 3.09Å; N336-R338 PolarHBondContact O-N 2.98Å; N336-R338 WeakPolarHBondContact OD1-CA 3.23Å; N336-R338 VanDerWaalsContact OD1-CB 3.27Å; N336-R338 WeakPolarHBondContact OD1-CB 3.27Å; N336-R338 PolarHBondContact OD1-N 3.31Å; N336-N339 PolarHBondContact ND2-ND2 3.43Å; N336-N339 PolarHBondContact O-N 2.91Å; N336-N339 VanDerWaalsContact O-N 3.15Å; N336-N339 PolarHBondContact OD1-N 3.16Å; N336-I340 WeakPolarHBondContact O-CD1 3.19Å; N336-I340 WeakPolarHBondContact O-CG1 3.33Å; N336-Y383 HydrophobicContact CB-CD1 3.99Å; N336-Y383 HydrophobicContact CB-CD2 3.67Å; N336-Y383 HydrophobicContact CB-CE1 3.89Å; N336-Y383 HydrophobicContact CB-CE2 3.55Å; N336-Y383 HydrophobicContact CB-CG 3.88Å
337	S	98	Very high	96.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-70.8	-4.7	-178.7	57.3	0	0	0	0	115.3	L288 S289 Y383 E416 Y433	L288-S337 PolarHBondContact N-O 2.76Å; S289-S337 WeakPolarHBondContact CB-O 3.29Å; S289-S337 PolarHBondContact N-O 2.82Å; S289-S337 PolarHBondContact OG-O 3.43Å; S337-Y383 PolarHBondContact OG-OH 3.11Å; S337-E416 WeakPolarHBondContact CB-OE2 3.32Å; S337-E416 PolarHBondContact OG-OE2 3.4Å; S337-Y433 PolarHBondContact OG-OH 2.91Å
338	R	95.8	Very high	96.8	Very high	116 Å²	116	22.2 Å²	22.2	44%	0.438	12%	0.122	S	C	.	.	S	Bend	trans	-88.2	-37	168.3	-61	170.3	176.2	161.8	-5.2	110.9	S289 N336 I340 M435	S289-R338 WeakPolarHBondContact OG-CA 3.26Å; S289-R338 WeakPolarHBondContact OG-CG 3.41Å; N336-R338 PolarHBondContact O-N 2.98Å; N336-R338 WeakPolarHBondContact OD1-CA 3.23Å; N336-R338 VanDerWaalsContact OD1-CB 3.27Å; N336-R338 WeakPolarHBondContact OD1-CB 3.27Å; N336-R338 PolarHBondContact OD1-N 3.31Å; R338-I340 PolarHBondContact O-N 3.28Å; R338-M435 PolarHBondContact NH2-SD 3.19Å; R338-M435 VanDerWaalsContact NH2-SD 3.38Å
339	N	97.5	Very high	97	Very high	19 Å²	19	22.1 Å²	22.1	10%	0.102	12%	0.121	C	C	.	.	S	Bend	trans	-85.7	22	178.8	-63.4	-13.1	0	0	0	113.5	D334 N336 I351 D352	D334-N339 PolarHBondContact O-ND2 3.02Å; D334-N339 PolarHBondContact OD2-ND2 3.14Å; D334-N339 VanDerWaalsContact OD2-ND2 3.08Å; N336-N339 PolarHBondContact ND2-ND2 3.43Å; N336-N339 PolarHBondContact O-N 2.91Å; N336-N339 VanDerWaalsContact O-N 3.15Å; N336-N339 PolarHBondContact OD1-N 3.16Å; N339-I351 VanDerWaalsContact C-CG1 3.4Å; N339-I351 HydrophobicContact CB-CG1 4.49Å; N339-I351 VanDerWaalsContact O-CG1 3.29Å; N339-I351 WeakPolarHBondContact O-CG1 3.45Å; N339-I351 PolarHBondContact O-N 2.92Å; N339-I351 VanDerWaalsContact O-N 3.07Å; N339-D352 HydrophobicContact CB-CB 4.5Å
340	I	98.7	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.5	172.9	-64.7	163.4	0	0	0	106.7	S287 L288 V309 L335 N336 R338 C348 V349 V413	S287-I340 CarbonylContact C-O 3.5Å; S287-I340 VanDerWaalsContact CA-O 3.27Å; S287-I340 WeakPolarHBondContact CA-O 3.28Å; L288-I340 HydrophobicContact CB-CB 4.11Å; L288-I340 HydrophobicContact CB-CG2 3.96Å; L288-I340 HydrophobicContact CD2-CB 4.41Å; L288-I340 HydrophobicContact CD2-CD1 4.23Å; L288-I340 HydrophobicContact CD2-CG2 4.06Å; L288-I340 PolarHBondContact N-O 3.43Å; V309-I340 HydrophobicContact CG1-CD1 3.66Å; V309-I340 HydrophobicContact CG1-CG1 4.34Å; V309-I340 HydrophobicContact CG2-CD1 4.07Å; V309-I340 HydrophobicContact CG2-CG2 3.71Å; L335-I340 HydrophobicContact CD1-CD1 4.16Å; L335-I340 HydrophobicContact CD1-CG1 4.23Å; N336-I340 WeakPolarHBondContact O-CD1 3.19Å; N336-I340 WeakPolarHBondContact O-CG1 3.33Å; R338-I340 PolarHBondContact O-N 3.28Å; I340-C348 HydrophobicContact CG2-CB 3.74Å; I340-V349 CarbonylContact C-O 3.52Å; I340-V349 WeakPolarHBondContact CA-O 3.41Å; I340-V413 HydrophobicContact CD1-CG1 3.8Å; I340-V413 HydrophobicContact CD1-CG2 4.22Å
341	L	98.2	Very high	97.2	Very high	28 Å²	28	23.3 Å²	23.3	15%	0.147	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	151.3	175.8	-53.1	-177.6	0	0	0	111.6	Y283 G286 C348 V349 I351	Y283-L341 HydrophobicContact CD2-CB 4.41Å; Y283-L341 HydrophobicContact CD2-CD1 3.59Å; Y283-L341 HydrophobicContact CE2-CD1 4.44Å; Y283-L341 HydrophobicContact CG-CB 4.32Å; Y283-L341 HydrophobicContact CG-CD1 4.2Å; G286-L341 VanDerWaalsContact O-CA 3.26Å; G286-L341 WeakPolarHBondContact O-CA 3.26Å; L341-C348 CarbonylContact O-C 3.42Å; L341-C348 WeakPolarHBondContact O-CA 3.46Å; L341-V349 HydrophobicContact CB-CG2 3.82Å; L341-V349 PolarHBondContact N-O 2.82Å; L341-V349 PolarHBondContact O-N 3.29Å; L341-I351 HydrophobicContact CD1-CD1 4.08Å; L341-I351 HydrophobicContact CD1-CG2 3.77Å; L341-I351 HydrophobicContact CD2-CD1 3.66Å; L341-I351 HydrophobicContact CD2-CG1 4.39Å; L341-I351 HydrophobicContact CG-CD1 3.73Å; L341-I351 HydrophobicContact CG-CG1 4.04Å; L341-I351 HydrophobicContact CG-CG2 3.92Å
342	V	98.4	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.6	178.6	-178.8	0	0	0	0	110.5	H285 G286 L288 Y291 L305	H285-V342 HydrophobicContact CB-CB 3.87Å; H285-V342 HydrophobicContact CB-CG1 4.04Å; G286-V342 PolarHBondContact O-N 2.93Å; L288-V342 HydrophobicContact CB-CG2 4.21Å; L288-V342 HydrophobicContact CD1-CG2 3.91Å; Y291-V342 HydrophobicContact CD1-CG2 4.2Å; Y291-V342 HydrophobicContact CD2-CB 4.45Å; Y291-V342 HydrophobicContact CD2-CG1 4.11Å; Y291-V342 HydrophobicContact CE2-CG1 4.2Å; Y291-V342 HydrophobicContact CG-CB 4.35Å; Y291-V342 HydrophobicContact CG-CG1 4.3Å; Y291-V342 HydrophobicContact CG-CG2 4.02Å; L305-V342 HydrophobicContact CD2-CG1 4.07Å; L305-V342 HydrophobicContact CD2-CG2 4.07Å
343	K	97.1	Very high	96.9	Very high	38 Å²	38	24.3 Å²	24.3	17%	0.165	13%	0.132	C	C	.	.			trans	-84.9	163.9	175.3	-56.4	-173.8	-152.4	151.9	0	111.8	D256 Y283 H285 D345 G346 T347 V349	D256-K343 WeakPolarHBondContact O-CE 3.46Å; D256-K343 PolarHBondContact O-NZ 3.07Å; Y283-K343 HydrophobicContact CD1-CG 3.84Å; Y283-K343 HydrophobicContact CE1-CG 3.97Å; H285-K343 PolarHBondContact CD2-O 3.27Å; K343-D345 VanDerWaalsContact CB-OD1 3.32Å; K343-D345 WeakPolarHBondContact CB-OD1 3.34Å; K343-D345 PolarHBondContact O-N 3.4Å; K343-D345 VanDerWaalsContact O-N 3.08Å; K343-G346 PolarHBondContact O-N 2.97Å; K343-T347 VanDerWaalsContact CB-O 3.31Å; K343-T347 WeakPolarHBondContact CB-O 3.45Å; K343-T347 WeakPolarHBondContact CD-OG1 3.26Å; K343-T347 VanDerWaalsContact CE-OG1 3.3Å; K343-T347 WeakPolarHBondContact CE-OG1 3.18Å; K343-T347 WeakPolarHBondContact CG-O 3.3Å; K343-T347 PolarHBondContact N-O 2.9Å; K343-T347 PolarHBondContact NZ-OG1 3.48Å; K343-V349 HydrophobicContact CD-CG1 4.41Å; K343-V349 VanDerWaalsContact CE-CG1 3.43Å; K343-V349 HydrophobicContact CG-CG1 4.27Å
344	A	95.4	Very high	96.8	Very high	81 Å²	81	23 Å²	23	67%	0.669	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-9.5	174.1	0	0	0	0	0	115.4	P284	P284-A344 HydrophobicContact CG-CB 4.27Å
345	D	95	Very high	96.6	Very high	94 Å²	94	23 Å²	23	50%	0.503	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	3.8	173.8	70.1	-0.4	0	0	0	113.6	K343 T347	K343-D345 VanDerWaalsContact CB-OD1 3.32Å; K343-D345 WeakPolarHBondContact CB-OD1 3.34Å; K343-D345 PolarHBondContact O-N 3.4Å; K343-D345 VanDerWaalsContact O-N 3.08Å; D345-T347 VanDerWaalsContact C-N 3.27Å; D345-T347 VanDerWaalsContact CG-OG1 3.3Å; D345-T347 PolarHBondContact O-N 2.58Å; D345-T347 VanDerWaalsContact OD1-CB 3.31Å; D345-T347 WeakPolarHBondContact OD1-CB 3.49Å; D345-T347 PolarHBondContact OD1-N 3.18Å; D345-T347 PolarHBondContact OD1-OG1 3.35Å; D345-T347 PolarHBondContact OD2-OG1 3.45Å
346	G	94.1	Very high	96.4	Very high	14 Å²	14	23 Å²	23	14%	0.144	13%	0.129	C	C	.	.	S	Bend	trans	74.6	10.3	-175.9	0	0	0	0	0	114.7	R304 L305 K343	R304-G346 WeakPolarHBondContact CD-O 3.37Å; R304-G346 WeakPolarHBondContact CG-O 3.48Å; L305-G346 WeakPolarHBondContact CD2-O 3.34Å; K343-G346 PolarHBondContact O-N 2.97Å
347	T	98	Very high	96.2	Very high	24 Å²	24	25.1 Å²	25.1	15%	0.147	14%	0.139	C	C	.	.			trans	-95	157.6	167.9	70.9	0	0	0	0	111.1	R304 K343 D345	R304-T347 HydrophobicContact CG-CG2 4.07Å; K343-T347 VanDerWaalsContact CB-O 3.31Å; K343-T347 WeakPolarHBondContact CB-O 3.45Å; K343-T347 WeakPolarHBondContact CD-OG1 3.26Å; K343-T347 VanDerWaalsContact CE-OG1 3.3Å; K343-T347 WeakPolarHBondContact CE-OG1 3.18Å; K343-T347 WeakPolarHBondContact CG-O 3.3Å; K343-T347 PolarHBondContact N-O 2.9Å; K343-T347 PolarHBondContact NZ-OG1 3.48Å; D345-T347 VanDerWaalsContact C-N 3.27Å; D345-T347 VanDerWaalsContact CG-OG1 3.3Å; D345-T347 PolarHBondContact O-N 2.58Å; D345-T347 VanDerWaalsContact OD1-CB 3.31Å; D345-T347 WeakPolarHBondContact OD1-CB 3.49Å; D345-T347 PolarHBondContact OD1-N 3.18Å; D345-T347 PolarHBondContact OD1-OG1 3.35Å; D345-T347 PolarHBondContact OD2-OG1 3.45Å
348	C	98.7	Very high	95.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	162.4	-178	-62.5	0	0	0	0	113	N257 L305 S308 V309 I340 L341	N257-C348 WeakPolarHBondContact CA-O 3.26Å; N257-C348 PolarHBondContact ND2-O 2.87Å; L305-C348 VanDerWaalsContact CD2-SG 3.55Å; S308-C348 WeakPolarHBondContact OG-CB 3.41Å; S308-C348 PolarHBondContact OG-N 3.43Å; V309-C348 HydrophobicContact CG2-CB 3.5Å; V309-C348 VanDerWaalsContact CG2-CB 3.5Å; I340-C348 HydrophobicContact CG2-CB 3.74Å; L341-C348 CarbonylContact O-C 3.42Å; L341-C348 WeakPolarHBondContact O-CA 3.46Å
349	V	98.7	Very high	95.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.4	163.1	-62.7	0	0	0	0	110.8	N257 A259 Y283 I340 L341 K343	N257-V349 WeakPolarHBondContact O-CA 3.15Å; A259-V349 HydrophobicContact CB-CB 4.3Å; A259-V349 HydrophobicContact CB-CG2 4.03Å; Y283-V349 HydrophobicContact CD1-CG2 4.24Å; Y283-V349 HydrophobicContact CD2-CG2 4.11Å; Y283-V349 HydrophobicContact CE1-CG1 4.06Å; Y283-V349 HydrophobicContact CE1-CG2 4.03Å; Y283-V349 HydrophobicContact CE2-CG2 3.88Å; Y283-V349 HydrophobicContact CG-CG2 4.28Å; I340-V349 CarbonylContact C-O 3.52Å; I340-V349 WeakPolarHBondContact CA-O 3.41Å; L341-V349 HydrophobicContact CB-CG2 3.82Å; L341-V349 PolarHBondContact N-O 2.82Å; L341-V349 PolarHBondContact O-N 3.29Å; K343-V349 HydrophobicContact CD-CG1 4.41Å; K343-V349 VanDerWaalsContact CE-CG1 3.43Å; K343-V349 HydrophobicContact CG-CG1 4.27Å
350	I	98.8	Very high	94.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.4	172	-59.5	177.1	0	0	0	110.1	N257 A259 L313 H332 L335 F353	N257-I350 PolarHBondContact O-N 3.05Å; A259-I350 WeakPolarHBondContact CB-O 3.47Å; A259-I350 PolarHBondContact N-O 3.23Å; L313-I350 HydrophobicContact CB-CD1 4.04Å; L313-I350 HydrophobicContact CD1-CD1 4.33Å; H332-I350 WeakPolarHBondContact NE2-CG2 3.48Å; L335-I350 HydrophobicContact CD1-CD1 4.32Å; L335-I350 HydrophobicContact CD1-CG2 4.44Å; I350-F353 HydrophobicContact CB-CZ 4.42Å; I350-F353 HydrophobicContact CG2-CE1 4.09Å; I350-F353 HydrophobicContact CG2-CZ 3.99Å
351	I	96.6	Very high	92.8	Very high	26 Å²	26	27.8 Å²	27.8	13%	0.133	17%	0.173	C	C	.	.			trans	-135.5	172	178.8	56.9	154.9	0	0	0	112.2	A259 H332 N339 L341	A259-I351 HydrophobicContact CB-CG2 3.41Å; A259-I351 VanDerWaalsContact CB-CG2 3.41Å; H332-I351 PolarHBondContact CE1-O 2.83Å; H332-I351 PolarHBondContact NE2-O 3.49Å; N339-I351 VanDerWaalsContact C-CG1 3.4Å; N339-I351 HydrophobicContact CB-CG1 4.49Å; N339-I351 VanDerWaalsContact O-CG1 3.29Å; N339-I351 WeakPolarHBondContact O-CG1 3.45Å; N339-I351 PolarHBondContact O-N 2.92Å; N339-I351 VanDerWaalsContact O-N 3.07Å; L341-I351 HydrophobicContact CD1-CD1 4.08Å; L341-I351 HydrophobicContact CD1-CG2 3.77Å; L341-I351 HydrophobicContact CD2-CD1 3.66Å; L341-I351 HydrophobicContact CD2-CG1 4.39Å; L341-I351 HydrophobicContact CG-CD1 3.73Å; L341-I351 HydrophobicContact CG-CG1 4.04Å; L341-I351 HydrophobicContact CG-CG2 3.92Å
352	D	93.9	Very high	90.1	Very high	20 Å²	20	34.5 Å²	34.5	11%	0.107	21%	0.209	C	C	.	.			trans	68.3	61.4	175.9	-146.6	-31.2	0	0	0	115.1	K231 E244 N339 G354	K231-D352 WeakPolarHBondContact CE-OD2 3.48Å; K231-D352 IonicContact NZ-OD1 3.87Å; K231-D352 PolarHBondContact NZ-OD1 3.11Å; K231-D352 IonicContact NZ-OD2 3.29Å; K231-D352 PolarHBondContact NZ-OD2 3.25Å; E244-D352 WeakPolarHBondContact OE1-CA 3.49Å; N339-D352 HydrophobicContact CB-CB 4.5Å; D352-G354 PolarHBondContact O-N 3.25Å; D352-G354 PolarHBondContact OD1-N 2.86Å
353	F	95.8	Very high	87.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	18.8	174.4	-53.9	-80.2	0	0	0	113.7	N243 E244 I247 Y248 I258 L316 H332 I350 L355 S356	N243-F353 PolarHBondContact ND2-O 2.94Å; E244-F353 HydrophobicContact CG-CB 4.12Å; I247-F353 HydrophobicContact CB-CB 3.82Å; I247-F353 HydrophobicContact CB-CG 4.34Å; I247-F353 HydrophobicContact CG1-CB 4.1Å; I247-F353 HydrophobicContact CG2-CB 3.69Å; I247-F353 HydrophobicContact CG2-CD1 3.85Å; I247-F353 HydrophobicContact CG2-CD2 4.33Å; I247-F353 HydrophobicContact CG2-CG 3.68Å; Y248-F353 HydrophobicContact CD1-CD2 4.27Å; Y248-F353 HydrophobicContact CD1-CE2 4.28Å; Y248-F353 HydrophobicContact CD2-CD2 4.26Å; Y248-F353 AromaticContact CE1-CD2 3.71Å; Y248-F353 HydrophobicContact CE1-CD2 3.71Å; Y248-F353 AromaticContact CE1-CE2 3.49Å; Y248-F353 HydrophobicContact CE1-CE2 3.49Å; Y248-F353 VanDerWaalsContact CE1-CE2 3.49Å; Y248-F353 AromaticContact CE2-CD2 3.7Å; Y248-F353 HydrophobicContact CE2-CD2 3.7Å; Y248-F353 HydrophobicContact CE2-CE2 4.27Å; Y248-F353 AromaticContact CZ-CD2 3.4Å; Y248-F353 VanDerWaalsContact CZ-CD2 3.4Å; Y248-F353 AromaticContact CZ-CE2 3.5Å; Y248-F353 VanDerWaalsContact CZ-CE2 3.5Å; Y248-F353 WeakPolarHBondContact OH-CE2 3.48Å; I258-F353 HydrophobicContact CG2-CE2 4.07Å; I258-F353 HydrophobicContact CG2-CZ 3.88Å; L316-F353 HydrophobicContact CD1-CD1 4.29Å; L316-F353 HydrophobicContact CD1-CE1 3.68Å; L316-F353 HydrophobicContact CD1-CZ 4.46Å; L316-F353 HydrophobicContact CD2-CD1 4.47Å; L316-F353 HydrophobicContact CD2-CE1 3.85Å; L316-F353 HydrophobicContact CG-CE1 4.43Å; H332-F353 AromaticContact CD2-CD1 3.75Å; H332-F353 AromaticContact CD2-CE1 3.66Å; I350-F353 HydrophobicContact CB-CZ 4.42Å; I350-F353 HydrophobicContact CG2-CE1 4.09Å; I350-F353 HydrophobicContact CG2-CZ 3.99Å; F353-L355 VanDerWaalsContact C-N 3.29Å; F353-L355 PolarHBondContact O-N 3.49Å; F353-S356 VanDerWaalsContact CA-OG 3.32Å; F353-S356 WeakPolarHBondContact CA-OG 3.45Å; F353-S356 WeakPolarHBondContact CD1-OG 3.41Å; F353-S356 PolarHBondContact O-N 3.34Å
354	G	92.3	Very high	84.7	Confident	3 Å²	3	48.5 Å²	48.5	3%	0.031	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-36	-179.6	0	0	0	0	0	113.4	N243 D352	N243-G354 PolarHBondContact ND2-O 2.99Å; D352-G354 PolarHBondContact O-N 3.25Å; D352-G354 PolarHBondContact OD1-N 2.86Å
355	L	91.9	Very high	82.1	Confident	16 Å²	16	47.4 Å²	47.4	8%	0.084	27%	0.267	C	S	.	.	S	Bend	trans	-97.5	-7.3	177.1	-71.8	178.2	0	0	0	114.6	Y215 R333 D334 F353 V378	Y215-L355 HydrophobicContact CE2-CG 4.33Å; Y215-L355 VanDerWaalsContact OH-CD1 3.25Å; Y215-L355 WeakPolarHBondContact OH-CD1 3.47Å; Y215-L355 WeakPolarHBondContact OH-CD2 3.1Å; Y215-L355 VanDerWaalsContact OH-CG 3.23Å; Y215-L355 WeakPolarHBondContact OH-CG 3.41Å; R333-L355 HydrophobicContact CB-CB 4.49Å; R333-L355 WeakPolarHBondContact CD-O 3.19Å; R333-L355 PolarHBondContact NH1-O 2.78Å; D334-L355 HydrophobicContact CB-CD1 3.93Å; F353-L355 VanDerWaalsContact C-N 3.29Å; F353-L355 PolarHBondContact O-N 3.49Å; L355-V378 HydrophobicContact CB-CG2 4.48Å; L355-V378 HydrophobicContact CD1-CB 3.95Å; L355-V378 HydrophobicContact CD1-CG2 4.12Å; L355-V378 HydrophobicContact CD2-CB 3.83Å; L355-V378 HydrophobicContact CD2-CG1 4.12Å; L355-V378 HydrophobicContact CD2-CG2 4.01Å; L355-V378 HydrophobicContact CG-CB 4.47Å; L355-V378 HydrophobicContact CG-CG2 4.44Å
356	S	94.4	Very high	79.2	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.014	28%	0.276	C	S	.	.			trans	-68.9	151	-171	-58.5	0	0	0	0	113.3	N243 S331 H332 F353	N243-S356 PolarHBondContact ND2-O 2.79Å; S331-S356 CarbonylContact O-C 3.6Å; S331-S356 WeakPolarHBondContact O-CA 3.35Å; S331-S356 WeakPolarHBondContact O-CB 3.22Å; H332-S356 WeakPolarHBondContact CA-OG 3.47Å; H332-S356 WeakPolarHBondContact O-CA 3.24Å; H332-S356 PolarHBondContact O-OG 3.24Å; F353-S356 VanDerWaalsContact CA-OG 3.32Å; F353-S356 WeakPolarHBondContact CA-OG 3.45Å; F353-S356 WeakPolarHBondContact CD1-OG 3.41Å; F353-S356 PolarHBondContact O-N 3.34Å
357	M	92.4	Very high	76.3	Confident	45 Å²	45	60.5 Å²	60.5	22%	0.222	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.3	-172.9	-167.9	-171.7	-61.9	0	0	112.1	V330 S331 L359 I375 L402	V330-M357 VanDerWaalsContact CA-O 3.26Å; V330-M357 WeakPolarHBondContact CA-O 3.37Å; S331-M357 PolarHBondContact N-O 3.28Å; S331-M357 PolarHBondContact O-N 2.87Å; M357-L359 HydrophobicContact CG-CD2 4.46Å; M357-L359 PolarHBondContact O-N 3.34Å; M357-L359 HydrophobicContact SD-CD2 4.3Å; M357-I375 HydrophobicContact CE-CD1 4.24Å; M357-I375 HydrophobicContact CE-CG1 3.87Å; M357-I375 HydrophobicContact CE-CG2 4.08Å; M357-L402 HydrophobicContact CE-CD1 3.66Å; M357-L402 HydrophobicContact SD-CD1 3.51Å; M357-L402 VanDerWaalsContact SD-CD1 3.51Å
358	K	92.4	Very high	73.6	Confident	72 Å²	72	63.1 Å²	63.1	31%	0.313	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	110	174.3	-67	165.5	-176.8	170.7	0	109.8	S246 I247 L250 P328 V330 T360	S246-K358 VanDerWaalsContact C-NZ 3.27Å; S246-K358 VanDerWaalsContact O-CE 3.32Å; S246-K358 WeakPolarHBondContact O-CE 3.36Å; S246-K358 PolarHBondContact O-NZ 3.08Å; S246-K358 PolarHBondContact OG-NZ 2.83Å; I247-K358 HydrophobicContact CD1-CD 4.35Å; I247-K358 HydrophobicContact CD1-CG 3.77Å; L250-K358 HydrophobicContact CD1-CG 4.32Å; L250-K358 HydrophobicContact CD2-CD 4.23Å; P328-K358 HydrophobicContact CG-CB 4.26Å; P328-K358 HydrophobicContact CG-CG 4.28Å; V330-K358 HydrophobicContact CG2-CG 4.35Å; K358-T360 PolarHBondContact O-N 3.33Å; K358-T360 VanDerWaalsContact O-N 3.11Å
359	L	89	Confident	70.7	Confident	9 Å²	9	68.3 Å²	68.3	5%	0.047	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	80.6	-179.1	-49.9	174.6	0	0	0	108.4	A329 M357 E399 L402 K403	A329-L359 HydrophobicContact CB-CB 4Å; A329-L359 HydrophobicContact CB-CD1 4.35Å; A329-L359 WeakPolarHBondContact O-CB 3.29Å; A329-L359 PolarHBondContact O-N 3.07Å; M357-L359 HydrophobicContact CG-CD2 4.46Å; M357-L359 PolarHBondContact O-N 3.34Å; M357-L359 HydrophobicContact SD-CD2 4.3Å; L359-E399 HydrophobicContact CB-CB 4.29Å; L359-E399 HydrophobicContact CB-CG 3.93Å; L359-E399 HydrophobicContact CD1-CG 4.01Å; L359-L402 HydrophobicContact CD2-CB 4.33Å; L359-L402 HydrophobicContact CD2-CD1 3.95Å; L359-K403 HydrophobicContact CD1-CD 4.38Å; L359-K403 HydrophobicContact CD1-CG 3.85Å
360	T	78.1	Confident	68.1	Low	56 Å²	56	77.1 Å²	77.1	34%	0.344	41%	0.411	S	S	.	.			trans	-94.9	113.3	173.1	57.8	0	0	0	0	109.8	P328 K358	P328-T360 HydrophobicContact CB-CG2 3.86Å; K358-T360 PolarHBondContact O-N 3.33Å; K358-T360 VanDerWaalsContact O-N 3.11Å
361	G	59	Low	65.6	Low	54 Å²	54	83.1 Å²	83.1	56%	0.557	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	146.3	176.7	0	0	0	0	0	113.4
362	N	42.9	Very low	63.3	Low	170 Å²	170	84.8 Å²	84.8	91%	0.909	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	44.8	175.6	-65.7	-8.6	0	0	0	116.8
363	R	42.6	Very low	61	Low	212 Å²	212	86.1 Å²	86.1	80%	0.8	46%	0.462	S	S	*	.			trans	-97.5	116	140.4	-70.6	-172.4	-178.8	-172.8	2.6	108.9	A365	R363-A365 PolarHBondContact O-N 2.68Å
364	P	38.1	Very low	59.1	Low	120 Å²	120	89 Å²	89	78%	0.779	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-64.3	121.8	163.3	27.6	-31.4	0	0	0	107.6	R366	P364-R366 PolarHBondContact O-N 3.22Å
365	A	40.6	Very low	57.7	Low	57 Å²	57	90 Å²	90	47%	0.471	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-53	130.9	167.5	0	0	0	0	0	108.3	R363 H367	R363-A365 PolarHBondContact O-N 2.68Å; A365-H367 PolarHBondContact O-N 2.9Å
366	R	35.7	Very low	56.2	Low	180 Å²	180	90.1 Å²	90.1	68%	0.679	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-63.2	125.2	-178.5	-76.3	-175.5	169.8	-164.7	0.6	108.7	P364 G368 E369	P364-R366 PolarHBondContact O-N 3.22Å; R366-G368 PolarHBondContact O-N 2.94Å; R366-G368 VanDerWaalsContact O-N 3.11Å; R366-E369 IonicContact NH1-OE1 2.67Å
367	H	33	Very low	54.8	Low	203 Å²	203	96.5 Å²	96.5	94%	0.94	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	111.8	171.9	-97.5	46.5	0	0	0	109.3	A365	A365-H367 PolarHBondContact O-N 2.9Å
368	G	41.5	Very low	54.2	Low	80 Å²	80	96 Å²	96	83%	0.825	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.2	12.2	166.1	0	0	0	0	0	117.8	R366	R366-G368 PolarHBondContact O-N 2.94Å; R366-G368 VanDerWaalsContact O-N 3.11Å
369	E	37.3	Very low	54	Low	108 Å²	108	92.8 Å²	92.8	51%	0.505	51%	0.509	S	S	.	.			trans	-116.5	148.8	175.8	-66.4	171.3	-142.9	0	0	110.6	R366 E371	R366-E369 IonicContact NH1-OE1 2.67Å; E369-E371 PolarHBondContact O-N 2.87Å
370	E	44.1	Very low	54.2	Low	186 Å²	186	94.3 Å²	94.3	87%	0.869	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-6	-167.9	-65.2	166.8	128.8	0	0	114.6	N372 A373	E370-N372 PolarHBondContact O-N 3.49Å; E370-A373 PolarHBondContact O-N 3.07Å; E370-A373 VanDerWaalsContact O-N 3.15Å
371	E	47	Very low	55	Low	127 Å²	127	94.4 Å²	94.4	59%	0.593	52%	0.516	S	S	*	.	H	α-helix	trans	-48	-36.5	-177.3	-167	172.3	-137.2	0	0	113.4	E369 A373 A374 I375	E369-E371 PolarHBondContact O-N 2.87Å; E371-A373 PolarHBondContact O-N 2.8Å; E371-A374 PolarHBondContact O-N 3.42Å; E371-I375 WeakPolarHBondContact O-CG1 2.97Å; E371-I375 PolarHBondContact O-N 2.79Å; E371-I375 VanDerWaalsContact O-N 3.15Å
372	N	47.9	Very low	56.8	Low	61 Å²	61	92.3 Å²	92.3	33%	0.326	49%	0.491	S	S	.	.	H	α-helix	trans	-62.6	-33.4	-177.4	-66.9	-57	0	0	0	114.4	E370 I375 L395	E370-N372 PolarHBondContact O-N 3.49Å; N372-I375 WeakPolarHBondContact O-CB 2.92Å; N372-I375 PolarHBondContact O-N 3.09Å; N372-L395 HydrophobicContact CB-CD1 3.81Å
373	A	46.2	Very low	59.4	Low	47 Å²	47	84.6 Å²	84.6	39%	0.388	45%	0.449	S	S	.	.	H	α-helix	trans	-73.7	-39.4	177.2	0	0	0	0	0	111.2	E370 E371 I375 S376 E377	E370-A373 PolarHBondContact O-N 3.07Å; E370-A373 VanDerWaalsContact O-N 3.15Å; E371-A373 PolarHBondContact O-N 2.8Å; A373-I375 PolarHBondContact O-N 3.16Å; A373-I375 VanDerWaalsContact O-N 3.13Å; A373-S376 PolarHBondContact O-N 3.02Å; A373-S376 PolarHBondContact O-OG 3.15Å; A373-E377 PolarHBondContact O-N 2.87Å
374	A	55.6	Low	62	Low	60 Å²	60	75 Å²	75	50%	0.496	41%	0.414	S	S	.	.	H	α-helix	trans	-65.6	-11.3	172	0	0	0	0	0	113.6	R333 E371	R333-A374 PolarHBondContact NH2-O 3.01Å; R333-A374 VanDerWaalsContact NH2-O 3.16Å; E371-A374 PolarHBondContact O-N 3.42Å
375	I	63.2	Low	64.8	Low	25 Å²	25	69.3 Å²	69.3	13%	0.128	38%	0.377	C	S	.	.	H	α-helix	trans	-76.5	-36.5	169.7	-65	174.3	0	0	0	111.3	R333 M357 E371 N372 A373 L395 L402	R333-I375 VanDerWaalsContact NH2-CA 3.3Å; R333-I375 PolarHBondContact NH2-O 2.85Å; M357-I375 HydrophobicContact CE-CD1 4.24Å; M357-I375 HydrophobicContact CE-CG1 3.87Å; M357-I375 HydrophobicContact CE-CG2 4.08Å; E371-I375 WeakPolarHBondContact O-CG1 2.97Å; E371-I375 PolarHBondContact O-N 2.79Å; E371-I375 VanDerWaalsContact O-N 3.15Å; N372-I375 WeakPolarHBondContact O-CB 2.92Å; N372-I375 PolarHBondContact O-N 3.09Å; A373-I375 PolarHBondContact O-N 3.16Å; A373-I375 VanDerWaalsContact O-N 3.13Å; I375-L395 HydrophobicContact CB-CD2 4.33Å; I375-L395 HydrophobicContact CG2-CD2 3.64Å; I375-L402 HydrophobicContact CG2-CD1 4.31Å; I375-L402 HydrophobicContact CG2-CD2 4.09Å
376	S	59.3	Low	67.5	Low	19 Å²	19	66.6 Å²	66.6	13%	0.133	36%	0.355	C	S	.	.	H	α-helix	trans	-93.7	-14.8	-174.6	44.2	0	0	0	0	116.2	A373 V388	A373-S376 PolarHBondContact O-N 3.02Å; A373-S376 PolarHBondContact O-OG 3.15Å; S376-V388 WeakPolarHBondContact O-CG1 3.44Å
377	E	65.4	Low	70.3	Confident	136 Å²	136	59 Å²	59	64%	0.636	33%	0.327	S	S	*	.	S	Bend	trans	-104.6	11.6	-169.2	-67.8	177.3	-169.9	0	0	115.4	A373	A373-E377 PolarHBondContact O-N 2.87Å
378	V	80.1	Confident	73.3	Confident	34 Å²	34	49.9 Å²	49.9	21%	0.206	29%	0.286	C	S	.	.			trans	-111.8	164.2	-176	-48.7	0	0	0	0	113.6	L355 M384	L355-V378 HydrophobicContact CB-CG2 4.48Å; L355-V378 HydrophobicContact CD1-CB 3.95Å; L355-V378 HydrophobicContact CD1-CG2 4.12Å; L355-V378 HydrophobicContact CD2-CB 3.83Å; L355-V378 HydrophobicContact CD2-CG1 4.12Å; L355-V378 HydrophobicContact CD2-CG2 4.01Å; L355-V378 HydrophobicContact CG-CB 4.47Å; L355-V378 HydrophobicContact CG-CG2 4.44Å; V378-M384 WeakPolarHBondContact O-CE 3.38Å
379	G	87.2	Confident	75.8	Confident	5 Å²	5	46.1 Å²	46.1	5%	0.052	25%	0.246	C	C	.	.	S	Bend	trans	105.7	-174.2	-173.3	0	0	0	0	0	112.1	R214 R333	R214-G379 PolarHBondContact NH1-O 3.43Å; R333-G379 WeakPolarHBondContact O-CA 3.37Å
380	T	93.1	Very high	78.4	Confident	40 Å²	40	46 Å²	46	25%	0.245	25%	0.246	C	C	.	.			trans	-93.5	118.9	176.5	-60.8	0	0	0	0	110.1	D334 R382 Y383 M384	D334-T380 VanDerWaalsContact OD1-CB 3.24Å; D334-T380 WeakPolarHBondContact OD1-CB 3.26Å; D334-T380 PolarHBondContact OD1-N 2.8Å; D334-T380 PolarHBondContact OD1-OG1 3.2Å; D334-T380 PolarHBondContact OD2-OG1 3.49Å; T380-R382 VanDerWaalsContact C-N 3.27Å; T380-R382 HydrophobicContact CG2-CB 4.49Å; T380-R382 PolarHBondContact O-N 2.87Å; T380-Y383 HydrophobicContact CG2-CD2 3.79Å; T380-Y383 HydrophobicContact CG2-CE2 4.09Å; T380-Y383 PolarHBondContact O-N 2.8Å; T380-M384 PolarHBondContact O-N 2.75Å
381	I	95.2	Very high	80.5	Confident	59 Å²	59	39.7 Å²	39.7	30%	0.303	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-45.1	-45.5	-171.8	-70.3	169.4	0	0	0	113.8	Y383 M384 F447 M450	I381-Y383 PolarHBondContact O-N 3.16Å; I381-Y383 VanDerWaalsContact O-N 3.13Å; I381-M384 HydrophobicContact CG1-CE 4.21Å; I381-M384 HydrophobicContact CG1-SD 4.24Å; I381-M384 PolarHBondContact O-N 3.4Å; I381-F447 HydrophobicContact CD1-CB 4.39Å; I381-M450 HydrophobicContact CG2-CB 4.07Å; I381-M450 HydrophobicContact CG2-CG 3.53Å
382	R	96.8	Very high	82.5	Confident	9 Å²	9	36.4 Å²	36.4	3%	0.034	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-54.1	-28.4	177.6	177.9	180	-62.9	-67.3	-1.3	115.2	T380 A436 F437 G442 N443 P445	T380-R382 VanDerWaalsContact C-N 3.27Å; T380-R382 HydrophobicContact CG2-CB 4.49Å; T380-R382 PolarHBondContact O-N 2.87Å; R382-A436 WeakPolarHBondContact CD-O 3.31Å; R382-A436 WeakPolarHBondContact CG-O 3.31Å; R382-A436 PolarHBondContact NH1-O 2.62Å; R382-F437 PolarHBondContact NH1-O 3.5Å; R382-G442 PolarHBondContact NH2-O 2.84Å; R382-N443 VanDerWaalsContact NH2-C 3.27Å; R382-N443 PolarHBondContact NH2-O 3.41Å; R382-P445 VanDerWaalsContact NH2-CD 3.29Å
383	Y	97.9	Very high	84.3	Confident	8 Å²	8	34.2 Å²	34.2	3%	0.031	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-111.2	5	-174.9	-55.8	-95.1	0	0	0	112.9	N336 S337 T380 I381 A385 L412 E416	N336-Y383 HydrophobicContact CB-CD1 3.99Å; N336-Y383 HydrophobicContact CB-CD2 3.67Å; N336-Y383 HydrophobicContact CB-CE1 3.89Å; N336-Y383 HydrophobicContact CB-CE2 3.55Å; N336-Y383 HydrophobicContact CB-CG 3.88Å; S337-Y383 PolarHBondContact OG-OH 3.11Å; T380-Y383 HydrophobicContact CG2-CD2 3.79Å; T380-Y383 HydrophobicContact CG2-CE2 4.09Å; T380-Y383 PolarHBondContact O-N 2.8Å; I381-Y383 PolarHBondContact O-N 3.16Å; I381-Y383 VanDerWaalsContact O-N 3.13Å; Y383-A385 PolarHBondContact O-N 3.07Å; Y383-L412 HydrophobicContact CD1-CB 4.11Å; Y383-L412 HydrophobicContact CD1-CD1 3.87Å; Y383-L412 HydrophobicContact CE1-CB 4.42Å; Y383-L412 HydrophobicContact CG-CD1 4.41Å; Y383-E416 WeakPolarHBondContact CE1-OE1 3.32Å; Y383-E416 PolarHBondContact OH-OE1 2.72Å
384	M	97.1	Very high	86.1	Confident	11 Å²	11	35.5 Å²	35.5	5%	0.054	21%	0.214	C	C	.	.			trans	-67	131.2	177	-71.6	179.2	170.6	0	0	110.7	V378 T380 I381 V388 L389 Y408 F447	V378-M384 WeakPolarHBondContact O-CE 3.38Å; T380-M384 PolarHBondContact O-N 2.75Å; I381-M384 HydrophobicContact CG1-CE 4.21Å; I381-M384 HydrophobicContact CG1-SD 4.24Å; I381-M384 PolarHBondContact O-N 3.4Å; M384-V388 HydrophobicContact CB-CB 4.22Å; M384-V388 HydrophobicContact CB-CG1 4.08Å; M384-V388 HydrophobicContact CG-CG1 4.01Å; M384-V388 HydrophobicContact SD-CG1 4.16Å; M384-L389 HydrophobicContact CB-CD1 4.39Å; M384-L389 HydrophobicContact CB-CD2 3.83Å; M384-L389 HydrophobicContact CB-CG 3.79Å; M384-L389 WeakPolarHBondContact O-CD1 3.24Å; M384-L389 HydrophobicContact SD-CD2 4.06Å; M384-Y408 WeakPolarHBondContact O-CE1 3.31Å; M384-F447 HydrophobicContact SD-CD2 4.05Å; M384-F447 HydrophobicContact SD-CE2 3.92Å
385	A	97.4	Very high	87.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.206	C	C	.	.			trans	-67.8	157.1	176.4	0	0	0	0	0	111.7	Y383 E387 V388 L389 V405 Y408	Y383-A385 PolarHBondContact O-N 3.07Å; A385-E387 VanDerWaalsContact C-N 3.28Å; A385-E387 WeakPolarHBondContact CB-OE1 3.14Å; A385-E387 WeakPolarHBondContact CB-OE2 3.2Å; A385-E387 PolarHBondContact O-N 3.3Å; A385-V388 HydrophobicContact CB-CG2 4.11Å; A385-V388 WeakPolarHBondContact O-CA 3.47Å; A385-V388 VanDerWaalsContact O-CB 3.29Å; A385-V388 WeakPolarHBondContact O-CB 3.28Å; A385-V388 PolarHBondContact O-N 2.88Å; A385-L389 PolarHBondContact O-N 3.02Å; A385-V405 HydrophobicContact CB-CG1 4.38Å; A385-V405 HydrophobicContact CB-CG2 4.31Å; A385-Y408 VanDerWaalsContact CA-CD1 3.45Å; A385-Y408 HydrophobicContact CB-CD1 3.77Å; A385-Y408 HydrophobicContact CB-CD2 4.32Å; A385-Y408 HydrophobicContact CB-CG 3.67Å
386	P	97.1	Very high	88.1	Confident	1 Å²	1	46 Å²	46	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-53.8	-40.5	-175.7	-23.4	28.2	0	0	0	114.4	V388 L389 E390 Y408 V454 S455 Q487	P386-V388 VanDerWaalsContact C-N 3.27Å; P386-V388 PolarHBondContact O-N 3Å; P386-L389 PolarHBondContact O-N 3.13Å; P386-E390 WeakPolarHBondContact O-CB 3.22Å; P386-E390 VanDerWaalsContact O-CG 3.28Å; P386-E390 WeakPolarHBondContact O-CG 3.13Å; P386-E390 PolarHBondContact O-N 2.94Å; P386-Y408 HydrophobicContact CG-CE2 4.27Å; P386-V454 HydrophobicContact CB-CG1 4.31Å; P386-V454 HydrophobicContact CG-CG1 3.76Å; P386-S455 VanDerWaalsContact CA-OG 3.29Å; P386-S455 WeakPolarHBondContact CA-OG 3.26Å; P386-S455 PolarHBondContact O-OG 3.33Å; P386-S455 VanDerWaalsContact O-OG 3.07Å; P386-Q487 VanDerWaalsContact CB-NE2 3.32Å
387	E	95.1	Very high	89.3	Confident	21 Å²	21	48.6 Å²	48.6	10%	0.098	26%	0.256	C	S	.	.	H	α-helix	trans	-70.4	-20.3	178	69.2	-79.6	-171.9	0	0	113.8	A385 G391 A392 V393 R492	A385-E387 VanDerWaalsContact C-N 3.28Å; A385-E387 WeakPolarHBondContact CB-OE1 3.14Å; A385-E387 WeakPolarHBondContact CB-OE2 3.2Å; A385-E387 PolarHBondContact O-N 3.3Å; E387-G391 PolarHBondContact O-N 3.4Å; E387-A392 CarbonylContact O-C 3.58Å; E387-A392 PolarHBondContact O-N 2.8Å; E387-V393 HydrophobicContact CG-CG2 4.32Å; E387-V393 WeakPolarHBondContact O-CG2 3.31Å; E387-V393 PolarHBondContact O-N 3Å; E387-R492 IonicContact OE1-CZ 3.22Å; E387-R492 IonicContact OE1-NH1 2.83Å; E387-R492 PolarHBondContact OE1-NH1 3.42Å; E387-R492 IonicContact OE1-NH2 3.73Å; E387-R492 IonicContact OE2-CZ 3.42Å; E387-R492 IonicContact OE2-NH1 3.71Å; E387-R492 PolarHBondContact OE2-NH1 2.7Å; E387-R492 IonicContact OE2-NH2 2.64Å; E387-R492 PolarHBondContact OE2-NH2 3.35Å
388	V	94.3	Very high	90.2	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.067	24%	0.236	C	C	.	.	H	α-helix	trans	-78.9	-47.8	172.5	-176.7	0	0	0	0	108.9	S376 M384 A385 P386 E390 G391 V393 V405	S376-V388 WeakPolarHBondContact O-CG1 3.44Å; M384-V388 HydrophobicContact CB-CB 4.22Å; M384-V388 HydrophobicContact CB-CG1 4.08Å; M384-V388 HydrophobicContact CG-CG1 4.01Å; M384-V388 HydrophobicContact SD-CG1 4.16Å; A385-V388 HydrophobicContact CB-CG2 4.11Å; A385-V388 WeakPolarHBondContact O-CA 3.47Å; A385-V388 VanDerWaalsContact O-CB 3.29Å; A385-V388 WeakPolarHBondContact O-CB 3.28Å; A385-V388 PolarHBondContact O-N 2.88Å; P386-V388 VanDerWaalsContact C-N 3.27Å; P386-V388 PolarHBondContact O-N 3Å; V388-E390 VanDerWaalsContact C-N 3.26Å; V388-E390 PolarHBondContact O-N 3.23Å; V388-G391 PolarHBondContact O-N 2.99Å; V388-V393 HydrophobicContact CG2-CG2 4.05Å; V388-V405 HydrophobicContact CG2-CB 4.36Å; V388-V405 HydrophobicContact CG2-CG1 3.85Å; V388-V405 HydrophobicContact CG2-CG2 3.5Å
389	L	94.6	Very high	90.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-29.5	175.2	-66.8	167.5	0	0	0	113	M384 A385 P386 F447 M450 Q451 V454	M384-L389 HydrophobicContact CB-CD1 4.39Å; M384-L389 HydrophobicContact CB-CD2 3.83Å; M384-L389 HydrophobicContact CB-CG 3.79Å; M384-L389 WeakPolarHBondContact O-CD1 3.24Å; M384-L389 HydrophobicContact SD-CD2 4.06Å; A385-L389 PolarHBondContact O-N 3.02Å; P386-L389 PolarHBondContact O-N 3.13Å; L389-F447 HydrophobicContact CD2-CD2 3.96Å; L389-F447 HydrophobicContact CD2-CE2 3.86Å; L389-F447 HydrophobicContact CD2-CZ 4.36Å; L389-F447 WeakPolarHBondContact O-CE1 3.25Å; L389-F447 VanDerWaalsContact O-CZ 3.26Å; L389-F447 WeakPolarHBondContact O-CZ 3.07Å; L389-M450 HydrophobicContact CD1-CB 4Å; L389-M450 HydrophobicContact CD2-CB 3.82Å; L389-Q451 HydrophobicContact CB-CB 4.27Å; L389-Q451 HydrophobicContact CB-CG 4.31Å; L389-Q451 PolarHBondContact O-NE2 3.04Å; L389-V454 HydrophobicContact CD1-CB 3.83Å; L389-V454 HydrophobicContact CD1-CG1 3.83Å
390	E	91.9	Very high	90.9	Very high	104 Å²	104	47.5 Å²	47.5	49%	0.486	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.9	173.9	-73.2	174.9	-160	0	0	113.7	P386 V388 A392 S455	P386-E390 WeakPolarHBondContact O-CB 3.22Å; P386-E390 VanDerWaalsContact O-CG 3.28Å; P386-E390 WeakPolarHBondContact O-CG 3.13Å; P386-E390 PolarHBondContact O-N 2.94Å; V388-E390 VanDerWaalsContact C-N 3.26Å; V388-E390 PolarHBondContact O-N 3.23Å; E390-A392 HydrophobicContact CB-CB 3.89Å; E390-A392 PolarHBondContact O-N 3.34Å; E390-S455 WeakPolarHBondContact OE1-CB 3.05Å
391	G	89.1	Confident	90.9	Very high	54 Å²	54	46.1 Å²	46.1	56%	0.557	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	22.7	-171.4	0	0	0	0	0	113.7	E387 V388	E387-G391 PolarHBondContact O-N 3.4Å; V388-G391 PolarHBondContact O-N 2.99Å
392	A	87.8	Confident	90.8	Very high	58 Å²	58	43.5 Å²	43.5	48%	0.479	24%	0.236	S	C	.	.			trans	-110.3	15.7	-166.8	0	0	0	0	0	114.1	E387 E390 N394	E387-A392 CarbonylContact O-C 3.58Å; E387-A392 PolarHBondContact O-N 2.8Å; E390-A392 HydrophobicContact CB-CB 3.89Å; E390-A392 PolarHBondContact O-N 3.34Å; A392-N394 PolarHBondContact O-N 2.81Å
393	V	86.8	Confident	90.8	Very high	16 Å²	16	45 Å²	45	10%	0.097	24%	0.243	C	C	.	.			trans	-53	130.2	-179.6	-173.1	0	0	0	0	111.5	E387 V388 L395 A401	E387-V393 HydrophobicContact CG-CG2 4.32Å; E387-V393 WeakPolarHBondContact O-CG2 3.31Å; E387-V393 PolarHBondContact O-N 3Å; V388-V393 HydrophobicContact CG2-CG2 4.05Å; V393-L395 VanDerWaalsContact C-N 3.32Å; V393-L395 HydrophobicContact CB-CD2 4.35Å; V393-L395 HydrophobicContact CG1-CD2 4.02Å; V393-L395 PolarHBondContact O-N 3.24Å; V393-A401 HydrophobicContact CG1-CB 3.93Å
394	N	82.8	Confident	90.9	Very high	73 Å²	73	45.8 Å²	45.8	39%	0.39	25%	0.247	S	C	.	.			trans	-75.4	77.3	-178.1	-176.4	10.1	0	0	0	112.7	A392 R396 D397 A401	A392-N394 PolarHBondContact O-N 2.81Å; N394-R396 PolarHBondContact O-N 3.37Å; N394-R396 WeakPolarHBondContact OD1-CB 2.94Å; N394-R396 PolarHBondContact OD1-N 3.12Å; N394-D397 CarbonylContact O-C 3.52Å; N394-D397 VanDerWaalsContact O-C 3.25Å; N394-D397 PolarHBondContact O-N 2.95Å; N394-D397 VanDerWaalsContact O-N 3.1Å; N394-A401 HydrophobicContact CB-CB 4.39Å
395	L	80.2	Confident	90.9	Very high	60 Å²	60	46 Å²	46	31%	0.314	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-64.3	-4.7	179.9	-57.3	-176.9	0	0	0	114.7	N372 I375 V393	N372-L395 HydrophobicContact CB-CD1 3.81Å; I375-L395 HydrophobicContact CB-CD2 4.33Å; I375-L395 HydrophobicContact CG2-CD2 3.64Å; V393-L395 VanDerWaalsContact C-N 3.32Å; V393-L395 HydrophobicContact CB-CD2 4.35Å; V393-L395 HydrophobicContact CG1-CD2 4.02Å; V393-L395 PolarHBondContact O-N 3.24Å
396	R	80.9	Confident	90.9	Very high	246 Å²	246	46.1 Å²	46.1	93%	0.928	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-74.5	-32.7	171.3	-61.7	-179.1	175.5	178	-0.3	112.4	N394	N394-R396 PolarHBondContact O-N 3.37Å; N394-R396 WeakPolarHBondContact OD1-CB 2.94Å; N394-R396 PolarHBondContact OD1-N 3.12Å
397	D	84.7	Confident	91	Very high	74 Å²	74	46 Å²	46	40%	0.396	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-120.5	66.6	166.2	-172.1	-3.7	0	0	0	108.5	N394 E399 S400 A401	N394-D397 CarbonylContact O-C 3.52Å; N394-D397 VanDerWaalsContact O-C 3.25Å; N394-D397 PolarHBondContact O-N 2.95Å; N394-D397 VanDerWaalsContact O-N 3.1Å; D397-E399 PolarHBondContact O-N 2.83Å; D397-S400 VanDerWaalsContact CG-CB 3.43Å; D397-S400 PolarHBondContact O-N 2.94Å; D397-S400 PolarHBondContact OD1-N 3.37Å; D397-S400 PolarHBondContact OD1-OG 2.96Å; D397-S400 WeakPolarHBondContact OD2-CB 3.18Å; D397-S400 PolarHBondContact OD2-OG 3.34Å; D397-A401 VanDerWaalsContact O-CB 3.26Å; D397-A401 WeakPolarHBondContact O-CB 3.27Å; D397-A401 PolarHBondContact O-N 3.46Å
398	C	84.9	Confident	91.2	Very high	32 Å²	32	45 Å²	45	22%	0.216	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-27.3	-178.6	-166.6	0	0	0	0	112.3	L402	C398-L402 WeakPolarHBondContact O-CB 3.28Å; C398-L402 WeakPolarHBondContact O-CG 3.41Å; C398-L402 PolarHBondContact O-N 3.04Å; C398-L402 VanDerWaalsContact O-N 3.09Å; C398-L402 VanDerWaalsContact SG-CD1 3.52Å
399	E	90.1	Very high	91.4	Very high	62 Å²	62	44.8 Å²	44.8	29%	0.29	24%	0.243	S	C	.	.	H	α-helix	trans	-68.8	-53.1	175.7	-179.9	172	172.9	0	0	111.5	L359 D397 K403	L359-E399 HydrophobicContact CB-CB 4.29Å; L359-E399 HydrophobicContact CB-CG 3.93Å; L359-E399 HydrophobicContact CD1-CG 4.01Å; D397-E399 PolarHBondContact O-N 2.83Å; E399-K403 HydrophobicContact CG-CD 4.42Å; E399-K403 VanDerWaalsContact O-CG 3.3Å; E399-K403 WeakPolarHBondContact O-CG 3.23Å; E399-K403 PolarHBondContact O-N 2.9Å; E399-K403 WeakPolarHBondContact OE1-CE 3Å; E399-K403 IonicContact OE1-NZ 2.7Å; E399-K403 PolarHBondContact OE1-NZ 2.74Å
400	S	92	Very high	91.6	Very high	57 Å²	57	44.7 Å²	44.7	40%	0.399	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-46.2	176.9	-59.6	0	0	0	0	111	D397 L402 K403 Q404	D397-S400 VanDerWaalsContact CG-CB 3.43Å; D397-S400 PolarHBondContact O-N 2.94Å; D397-S400 PolarHBondContact OD1-N 3.37Å; D397-S400 PolarHBondContact OD1-OG 2.96Å; D397-S400 WeakPolarHBondContact OD2-CB 3.18Å; D397-S400 PolarHBondContact OD2-OG 3.34Å; S400-L402 PolarHBondContact O-N 2.96Å; S400-K403 PolarHBondContact O-N 3.16Å; S400-Q404 VanDerWaalsContact O-CG 3.26Å; S400-Q404 WeakPolarHBondContact O-CG 3.39Å; S400-Q404 PolarHBondContact O-N 2.74Å
401	A	92.7	Very high	91.9	Very high	11 Å²	11	39.8 Å²	39.8	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-50	-176.7	0	0	0	0	0	112.3	V393 N394 D397 K403 Q404 V405	V393-A401 HydrophobicContact CG1-CB 3.93Å; N394-A401 HydrophobicContact CB-CB 4.39Å; D397-A401 VanDerWaalsContact O-CB 3.26Å; D397-A401 WeakPolarHBondContact O-CB 3.27Å; D397-A401 PolarHBondContact O-N 3.46Å; A401-K403 VanDerWaalsContact C-N 3.34Å; A401-K403 PolarHBondContact O-N 2.91Å; A401-Q404 PolarHBondContact O-N 2.79Å; A401-Q404 VanDerWaalsContact O-N 3.15Å; A401-V405 PolarHBondContact O-N 2.93Å; A401-V405 VanDerWaalsContact O-N 3.09Å
402	L	93.6	Very high	92.4	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-71.2	-26.8	-178.3	-66.7	178.2	0	0	0	113.4	S331 M357 L359 I375 C398 S400 D406	S331-L402 WeakPolarHBondContact OG-CB 3.13Å; M357-L402 HydrophobicContact CE-CD1 3.66Å; M357-L402 HydrophobicContact SD-CD1 3.51Å; M357-L402 VanDerWaalsContact SD-CD1 3.51Å; L359-L402 HydrophobicContact CD2-CB 4.33Å; L359-L402 HydrophobicContact CD2-CD1 3.95Å; I375-L402 HydrophobicContact CG2-CD1 4.31Å; I375-L402 HydrophobicContact CG2-CD2 4.09Å; C398-L402 WeakPolarHBondContact O-CB 3.28Å; C398-L402 WeakPolarHBondContact O-CG 3.41Å; C398-L402 PolarHBondContact O-N 3.04Å; C398-L402 VanDerWaalsContact O-N 3.09Å; C398-L402 VanDerWaalsContact SG-CD1 3.52Å; S400-L402 PolarHBondContact O-N 2.96Å; L402-D406 PolarHBondContact O-N 3.29Å
403	K	97.1	Very high	92.9	Very high	41 Å²	41	34.4 Å²	34.4	18%	0.178	17%	0.171	C	C	.	.	H	α-helix	trans	-66.6	-40.9	169	-70.6	177.8	-165.6	-175.7	0	111.1	H317 L359 E399 S400 A401 V405 D406 M407	H317-K403 HydrophobicContact CB-CD 4.18Å; H317-K403 HydrophobicContact CB-CG 4.42Å; H317-K403 PolarHBondContact CE1-O 3.23Å; H317-K403 WeakPolarHBondContact O-CE 3.48Å; H317-K403 PolarHBondContact O-NZ 3.4Å; L359-K403 HydrophobicContact CD1-CD 4.38Å; L359-K403 HydrophobicContact CD1-CG 3.85Å; E399-K403 HydrophobicContact CG-CD 4.42Å; E399-K403 VanDerWaalsContact O-CG 3.3Å; E399-K403 WeakPolarHBondContact O-CG 3.23Å; E399-K403 PolarHBondContact O-N 2.9Å; E399-K403 WeakPolarHBondContact OE1-CE 3Å; E399-K403 IonicContact OE1-NZ 2.7Å; E399-K403 PolarHBondContact OE1-NZ 2.74Å; S400-K403 PolarHBondContact O-N 3.16Å; A401-K403 VanDerWaalsContact C-N 3.34Å; A401-K403 PolarHBondContact O-N 2.91Å; K403-V405 VanDerWaalsContact C-N 3.3Å; K403-V405 PolarHBondContact O-N 3.43Å; K403-D406 WeakPolarHBondContact O-CB 3.09Å; K403-D406 PolarHBondContact O-N 2.67Å; K403-D406 VanDerWaalsContact O-N 3.16Å; K403-M407 WeakPolarHBondContact O-CG 3.39Å; K403-M407 PolarHBondContact O-N 2.85Å; K403-M407 VanDerWaalsContact O-N 3.07Å
404	Q	98	Very high	93.5	Very high	24 Å²	24	33.7 Å²	33.7	11%	0.112	17%	0.166	C	C	.	.	H	α-helix	trans	-72.7	-21.5	-178.7	-62.5	-70.3	44.7	0	0	113.5	S400 A401 Y408 A489 R492 L493	S400-Q404 VanDerWaalsContact O-CG 3.26Å; S400-Q404 WeakPolarHBondContact O-CG 3.39Å; S400-Q404 PolarHBondContact O-N 2.74Å; A401-Q404 PolarHBondContact O-N 2.79Å; A401-Q404 VanDerWaalsContact O-N 3.15Å; Q404-Y408 PolarHBondContact O-N 3.43Å; Q404-Y408 VanDerWaalsContact O-N 3.15Å; Q404-A489 HydrophobicContact CB-CB 4.12Å; Q404-A489 VanDerWaalsContact CD-O 3.26Å; Q404-A489 WeakPolarHBondContact CG-O 3.16Å; Q404-A489 PolarHBondContact NE2-O 3.47Å; Q404-R492 PolarHBondContact NE2-O 3.07Å; Q404-R492 WeakPolarHBondContact O-CD 3.42Å; Q404-R492 PolarHBondContact O-NH1 3.11Å; Q404-L493 PolarHBondContact OE1-O 3.48Å
405	V	97.4	Very high	94.3	Very high	16 Å²	16	30.7 Å²	30.7	10%	0.097	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-46.5	165.7	174.2	0	0	0	0	111.1	A385 V388 A401 K403 M407 Y408 A409	A385-V405 HydrophobicContact CB-CG1 4.38Å; A385-V405 HydrophobicContact CB-CG2 4.31Å; V388-V405 HydrophobicContact CG2-CB 4.36Å; V388-V405 HydrophobicContact CG2-CG1 3.85Å; V388-V405 HydrophobicContact CG2-CG2 3.5Å; A401-V405 PolarHBondContact O-N 2.93Å; A401-V405 VanDerWaalsContact O-N 3.09Å; K403-V405 VanDerWaalsContact C-N 3.3Å; K403-V405 PolarHBondContact O-N 3.43Å; V405-M407 VanDerWaalsContact C-N 3.29Å; V405-M407 PolarHBondContact O-N 3.45Å; V405-Y408 PolarHBondContact O-N 3.06Å; V405-A409 PolarHBondContact O-N 3.09Å
406	D	98.6	Very high	95.1	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.011	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-36	176.2	-62.9	-32.1	0	0	0	111.8	L313 H317 S331 H332 R333 L402 K403 A409 L410	L313-D406 HydrophobicContact CD1-CB 4.12Å; L313-D406 HydrophobicContact CD2-CB 4.1Å; H317-D406 IonicContact CD2-OD2 3.14Å; H317-D406 IonicContact CE1-OD2 2.76Å; H317-D406 IonicContact NE2-OD2 2.68Å; H317-D406 PolarHBondContact NE2-OD2 2.89Å; S331-D406 VanDerWaalsContact CA-OD2 3.27Å; S331-D406 WeakPolarHBondContact CA-OD2 3.3Å; S331-D406 WeakPolarHBondContact CB-OD2 3.41Å; H332-D406 WeakPolarHBondContact CB-OD1 3.25Å; H332-D406 PolarHBondContact N-OD1 2.9Å; H332-D406 PolarHBondContact N-OD2 3.22Å; R333-D406 PolarHBondContact N-OD1 3.01Å; L402-D406 PolarHBondContact O-N 3.29Å; K403-D406 WeakPolarHBondContact O-CB 3.09Å; K403-D406 PolarHBondContact O-N 2.67Å; K403-D406 VanDerWaalsContact O-N 3.16Å; D406-A409 PolarHBondContact O-N 3.29Å; D406-L410 WeakPolarHBondContact O-CB 3.07Å; D406-L410 PolarHBondContact O-N 3.45Å
407	M	98.8	Very high	96	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.9	-36.3	179.6	-68.9	-55.8	-53.7	0	0	113.3	L313 K403 V405 L410 G411 C484 L493 A495 A498	L313-M407 HydrophobicContact CD2-SD 3.8Å; K403-M407 WeakPolarHBondContact O-CG 3.39Å; K403-M407 PolarHBondContact O-N 2.85Å; K403-M407 VanDerWaalsContact O-N 3.07Å; V405-M407 VanDerWaalsContact C-N 3.29Å; V405-M407 PolarHBondContact O-N 3.45Å; M407-L410 HydrophobicContact CE-CD2 3.75Å; M407-L410 PolarHBondContact O-N 2.99Å; M407-L410 HydrophobicContact SD-CD2 4.03Å; M407-G411 PolarHBondContact O-N 3.29Å; M407-G411 VanDerWaalsContact O-N 3.11Å; M407-C484 CarbonylContact C-O 3.51Å; M407-L493 HydrophobicContact CE-CB 4.37Å; M407-L493 WeakPolarHBondContact CE-O 3.49Å; M407-L493 VanDerWaalsContact CG-O 3.28Å; M407-L493 WeakPolarHBondContact CG-O 3.27Å; M407-A495 WeakPolarHBondContact SD-CA 3.32Å; M407-A495 HydrophobicContact SD-CB 3.6Å; M407-A495 PolarHBondContact SD-N 2.78Å; M407-A498 HydrophobicContact CE-CB 3.83Å
408	Y	98.9	Very high	96.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.6	-49.7	170.4	174	-90.3	0	0	0	111	M384 A385 P386 Q404 V405 L410 G411 L412 V454 C484 W485	M384-Y408 WeakPolarHBondContact O-CE1 3.31Å; A385-Y408 VanDerWaalsContact CA-CD1 3.45Å; A385-Y408 HydrophobicContact CB-CD1 3.77Å; A385-Y408 HydrophobicContact CB-CD2 4.32Å; A385-Y408 HydrophobicContact CB-CG 3.67Å; P386-Y408 HydrophobicContact CG-CE2 4.27Å; Q404-Y408 PolarHBondContact O-N 3.43Å; Q404-Y408 VanDerWaalsContact O-N 3.15Å; V405-Y408 PolarHBondContact O-N 3.06Å; Y408-L410 VanDerWaalsContact C-N 3.32Å; Y408-L410 PolarHBondContact O-N 2.97Å; Y408-G411 PolarHBondContact O-N 2.89Å; Y408-L412 HydrophobicContact CD1-CD1 4.24Å; Y408-L412 HydrophobicContact CE1-CD1 3.6Å; Y408-L412 HydrophobicContact CE1-CG 4.26Å; Y408-L412 PolarHBondContact O-N 2.92Å; Y408-V454 HydrophobicContact CE2-CG1 4.42Å; Y408-V454 VanDerWaalsContact OH-CG1 3.24Å; Y408-V454 WeakPolarHBondContact OH-CG1 2.98Å; Y408-C484 WeakPolarHBondContact CA-O 3.45Å; Y408-C484 PolarHBondContact N-O 2.79Å; Y408-W485 HydrophobicContact CD2-CB 3.89Å; Y408-W485 HydrophobicContact CE2-CB 3.97Å
409	A	98.8	Very high	97.3	Very high	5 Å²	5	12.3 Å²	12.3	4%	0.041	7%	0.067	C	C	.	.	H	α-helix	trans	-65	-34.8	179.3	0	0	0	0	0	112.8	L335 V405 D406 G411 L412 V413	L335-A409 HydrophobicContact CB-CB 4.2Å; L335-A409 WeakPolarHBondContact O-CB 3.23Å; V405-A409 PolarHBondContact O-N 3.09Å; D406-A409 PolarHBondContact O-N 3.29Å; A409-G411 VanDerWaalsContact C-N 3.33Å; A409-G411 PolarHBondContact O-N 3.3Å; A409-L412 WeakPolarHBondContact O-CB 3.29Å; A409-L412 PolarHBondContact O-N 3.42Å; A409-V413 WeakPolarHBondContact O-CG2 3.05Å; A409-V413 PolarHBondContact O-N 2.72Å
410	L	98.9	Very high	97.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.3	-38.6	173.5	-174.8	67.5	0	0	0	112.2	V309 T310 L313 L335 D406 M407 Y408 L412 V413 Y414	V309-L410 HydrophobicContact CB-CD1 4.46Å; V309-L410 HydrophobicContact CG1-CD1 3.63Å; T310-L410 HydrophobicContact CG2-CD2 4Å; L313-L410 HydrophobicContact CD2-CB 4.33Å; L313-L410 HydrophobicContact CD2-CD2 3.9Å; L335-L410 HydrophobicContact CD2-CB 3.96Å; L335-L410 HydrophobicContact CD2-CD1 4.2Å; D406-L410 WeakPolarHBondContact O-CB 3.07Å; D406-L410 PolarHBondContact O-N 3.45Å; M407-L410 HydrophobicContact CE-CD2 3.75Å; M407-L410 PolarHBondContact O-N 2.99Å; M407-L410 HydrophobicContact SD-CD2 4.03Å; Y408-L410 VanDerWaalsContact C-N 3.32Å; Y408-L410 PolarHBondContact O-N 2.97Å; L410-L412 VanDerWaalsContact C-N 3.3Å; L410-L412 PolarHBondContact O-N 3.19Å; L410-V413 PolarHBondContact O-N 2.71Å; L410-Y414 HydrophobicContact CD1-CD1 4.38Å; L410-Y414 HydrophobicContact CD1-CE1 3.78Å; L410-Y414 HydrophobicContact CD2-CE1 4.14Å; L410-Y414 HydrophobicContact CD2-CE2 4.43Å; L410-Y414 VanDerWaalsContact CD2-OH 3.29Å; L410-Y414 WeakPolarHBondContact CD2-OH 3.47Å; L410-Y414 HydrophobicContact CG-CD1 4.35Å; L410-Y414 HydrophobicContact CG-CE1 3.69Å; L410-Y414 HydrophobicContact CG-CE2 4.21Å; L410-Y414 PolarHBondContact O-N 3.13Å
411	G	98.8	Very high	97.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-59.5	-39.4	174	0	0	0	0	0	112.9	M407 Y408 A409 Y414 W415	M407-G411 PolarHBondContact O-N 3.29Å; M407-G411 VanDerWaalsContact O-N 3.11Å; Y408-G411 PolarHBondContact O-N 2.89Å; A409-G411 VanDerWaalsContact C-N 3.33Å; A409-G411 PolarHBondContact O-N 3.3Å; G411-Y414 PolarHBondContact O-N 3.44Å; G411-W415 PolarHBondContact O-N 3.05Å
412	L	98.9	Very high	98	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66.7	-42.3	174.1	-57.6	177.5	0	0	0	111.8	Y383 Y408 A409 L410 Y414 W415 E416 A436 F437 P461 W485	Y383-L412 HydrophobicContact CD1-CB 4.11Å; Y383-L412 HydrophobicContact CD1-CD1 3.87Å; Y383-L412 HydrophobicContact CE1-CB 4.42Å; Y383-L412 HydrophobicContact CG-CD1 4.41Å; Y408-L412 HydrophobicContact CD1-CD1 4.24Å; Y408-L412 HydrophobicContact CE1-CD1 3.6Å; Y408-L412 HydrophobicContact CE1-CG 4.26Å; Y408-L412 PolarHBondContact O-N 2.92Å; A409-L412 WeakPolarHBondContact O-CB 3.29Å; A409-L412 PolarHBondContact O-N 3.42Å; L410-L412 VanDerWaalsContact C-N 3.3Å; L410-L412 PolarHBondContact O-N 3.19Å; L412-Y414 VanDerWaalsContact C-N 3.31Å; L412-Y414 PolarHBondContact O-N 3.05Å; L412-W415 WeakPolarHBondContact O-CB 3.2Å; L412-W415 PolarHBondContact O-N 3.15Å; L412-W415 VanDerWaalsContact O-N 3.16Å; L412-E416 PolarHBondContact O-N 3.33Å; L412-E416 VanDerWaalsContact O-N 3.13Å; L412-A436 HydrophobicContact CB-CB 3.78Å; L412-A436 HydrophobicContact CD1-CB 4.33Å; L412-A436 HydrophobicContact CD2-CB 4.02Å; L412-A436 HydrophobicContact CG-CB 4.25Å; L412-F437 HydrophobicContact CD1-CE2 3.96Å; L412-F437 HydrophobicContact CD2-CD2 4.41Å; L412-F437 HydrophobicContact CD2-CE2 3.59Å; L412-F437 HydrophobicContact CD2-CZ 4.06Å; L412-F437 HydrophobicContact CG-CE2 4.46Å; L412-P461 HydrophobicContact CD2-CG 3.69Å; L412-W485 HydrophobicContact CD2-CE3 3.82Å; L412-W485 HydrophobicContact CD2-CZ3 4.24Å
413	V	98.9	Very high	98.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.5	-36.1	175.4	170.2	0	0	0	0	111.9	L288 I340 A409 L410 E416 I417	L288-V413 HydrophobicContact CD2-CG1 3.84Å; I340-V413 HydrophobicContact CD1-CG1 3.8Å; I340-V413 HydrophobicContact CD1-CG2 4.22Å; A409-V413 WeakPolarHBondContact O-CG2 3.05Å; A409-V413 PolarHBondContact O-N 2.72Å; L410-V413 PolarHBondContact O-N 2.71Å; V413-E416 PolarHBondContact O-N 2.99Å; V413-I417 HydrophobicContact CG1-CD1 3.97Å; V413-I417 VanDerWaalsContact O-CG1 3.31Å; V413-I417 WeakPolarHBondContact O-CG1 3.15Å; V413-I417 PolarHBondContact O-N 3.08Å; V413-I417 VanDerWaalsContact O-N 3.08Å
414	Y	98.8	Very high	98	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.7	-45.2	172.1	-63.6	-24.3	0	0	0	112	A306 T310 L410 G411 L412 E416 I417 F418 T480 M481 L502	A306-Y414 HydrophobicContact CB-CD1 4.05Å; A306-Y414 HydrophobicContact CB-CE1 4.19Å; T310-Y414 WeakPolarHBondContact CG2-OH 3.32Å; T310-Y414 VanDerWaalsContact OG1-CE1 3.27Å; T310-Y414 WeakPolarHBondContact OG1-CE1 3.27Å; T310-Y414 PolarHBondContact OG1-OH 3.24Å; L410-Y414 HydrophobicContact CD1-CD1 4.38Å; L410-Y414 HydrophobicContact CD1-CE1 3.78Å; L410-Y414 HydrophobicContact CD2-CE1 4.14Å; L410-Y414 HydrophobicContact CD2-CE2 4.43Å; L410-Y414 VanDerWaalsContact CD2-OH 3.29Å; L410-Y414 WeakPolarHBondContact CD2-OH 3.47Å; L410-Y414 HydrophobicContact CG-CD1 4.35Å; L410-Y414 HydrophobicContact CG-CE1 3.69Å; L410-Y414 HydrophobicContact CG-CE2 4.21Å; L410-Y414 PolarHBondContact O-N 3.13Å; G411-Y414 PolarHBondContact O-N 3.44Å; L412-Y414 VanDerWaalsContact C-N 3.31Å; L412-Y414 PolarHBondContact O-N 3.05Å; Y414-E416 VanDerWaalsContact C-N 3.32Å; Y414-E416 PolarHBondContact O-N 3.32Å; Y414-I417 PolarHBondContact O-N 3.15Å; Y414-F418 WeakPolarHBondContact O-CD2 3.41Å; Y414-F418 PolarHBondContact O-N 2.79Å; Y414-T480 HydrophobicContact CE2-CG2 4.16Å; Y414-M481 HydrophobicContact CD2-CG 4.22Å; Y414-M481 WeakPolarHBondContact O-CE 3Å; Y414-L502 HydrophobicContact CE1-CD1 3.71Å; Y414-L502 WeakPolarHBondContact OH-CD1 3.38Å
415	W	98.8	Very high	97.8	Very high	11 Å²	11	9.4 Å²	9.4	4%	0.042	5%	0.051	C	C	.	.	H	α-helix	trans	-59.1	-44.4	178.1	178.5	94.3	0	0	0	111.1	G411 L412 I417 F418 M419 A436 P461 K462 M481 W485	G411-W415 PolarHBondContact O-N 3.05Å; L412-W415 WeakPolarHBondContact O-CB 3.2Å; L412-W415 PolarHBondContact O-N 3.15Å; L412-W415 VanDerWaalsContact O-N 3.16Å; W415-I417 PolarHBondContact O-N 2.85Å; W415-F418 PolarHBondContact O-N 2.94Å; W415-M419 HydrophobicContact CD2-CG 3.68Å; W415-M419 VanDerWaalsContact CE2-CG 3.47Å; W415-M419 HydrophobicContact CE3-CG 4.04Å; W415-M419 HydrophobicContact CG-CG 4.22Å; W415-M419 HydrophobicContact CH2-CE 4.35Å; W415-M419 HydrophobicContact CH2-CG 4.03Å; W415-M419 HydrophobicContact CZ2-CE 4Å; W415-M419 HydrophobicContact CZ2-CG 3.67Å; W415-M419 HydrophobicContact CZ2-SD 3.93Å; W415-M419 HydrophobicContact CZ3-CG 4.19Å; W415-M419 VanDerWaalsContact O-CB 3.29Å; W415-M419 WeakPolarHBondContact O-CB 3.1Å; W415-M419 WeakPolarHBondContact O-CG 3.23Å; W415-M419 PolarHBondContact O-N 2.77Å; W415-A436 HydrophobicContact CE3-CB 4.4Å; W415-P461 HydrophobicContact CD2-CB 3.52Å; W415-P461 HydrophobicContact CD2-CG 4.39Å; W415-P461 VanDerWaalsContact CE2-CB 3.42Å; W415-P461 HydrophobicContact CE3-CB 4.03Å; W415-P461 HydrophobicContact CG-CB 3.84Å; W415-P461 HydrophobicContact CH2-CB 4.35Å; W415-P461 HydrophobicContact CZ2-CB 3.86Å; W415-P461 HydrophobicContact CZ3-CB 4.42Å; W415-K462 PolarHBondContact NE1-O 2.78Å; W415-M481 HydrophobicContact CB-SD 3.84Å; W415-W485 HydrophobicContact CB-CH2 4.22Å; W415-W485 HydrophobicContact CB-CZ3 3.83Å; W415-W485 HydrophobicContact CG-CH2 4.38Å; W415-W485 HydrophobicContact CG-CZ3 4.35Å
416	E	98.7	Very high	97.4	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-59.8	-43.3	175.8	-70.5	179.5	-156.4	0	0	113.2	L292 S337 Y383 L412 V413 Y414 Y433 M435 A436	L292-E416 HydrophobicContact CD1-CB 4.26Å; S337-E416 WeakPolarHBondContact CB-OE2 3.32Å; S337-E416 PolarHBondContact OG-OE2 3.4Å; Y383-E416 WeakPolarHBondContact CE1-OE1 3.32Å; Y383-E416 PolarHBondContact OH-OE1 2.72Å; L412-E416 PolarHBondContact O-N 3.33Å; L412-E416 VanDerWaalsContact O-N 3.13Å; V413-E416 PolarHBondContact O-N 2.99Å; Y414-E416 VanDerWaalsContact C-N 3.32Å; Y414-E416 PolarHBondContact O-N 3.32Å; E416-Y433 HydrophobicContact CB-CE2 4.24Å; E416-Y433 HydrophobicContact CG-CE2 4.38Å; E416-Y433 PolarHBondContact OE2-OH 3.36Å; E416-M435 WeakPolarHBondContact OE1-CA 3.43Å; E416-A436 PolarHBondContact OE1-N 3.45Å
417	I	98.8	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.2	-44.8	177.8	-68.7	166.1	0	0	0	111.6	L288 L292 S302 L305 A306 V413 Y414 W415 R420	L288-I417 HydrophobicContact CD1-CG1 4.27Å; L288-I417 HydrophobicContact CD2-CD1 3.92Å; L288-I417 HydrophobicContact CD2-CG1 3.9Å; L288-I417 HydrophobicContact CG-CG1 4.5Å; L292-I417 HydrophobicContact CD1-CG1 4.22Å; S302-I417 WeakPolarHBondContact O-CG2 3.2Å; S302-I417 PolarHBondContact OG-O 3.39Å; L305-I417 HydrophobicContact CB-CD1 4.28Å; L305-I417 HydrophobicContact CB-CG2 4.2Å; L305-I417 HydrophobicContact CD1-CG2 4.44Å; A306-I417 HydrophobicContact CB-CD1 4.08Å; V413-I417 HydrophobicContact CG1-CD1 3.97Å; V413-I417 VanDerWaalsContact O-CG1 3.31Å; V413-I417 WeakPolarHBondContact O-CG1 3.15Å; V413-I417 PolarHBondContact O-N 3.08Å; V413-I417 VanDerWaalsContact O-N 3.08Å; Y414-I417 PolarHBondContact O-N 3.15Å; W415-I417 PolarHBondContact O-N 2.85Å; I417-R420 PolarHBondContact O-N 3.45Å
418	F	98.1	Very high	96.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-86.1	-20.9	-174.2	-76.6	-81.8	0	0	0	113.5	W299 A306 Y414 W415 R420 C421 L424 W467 L477 M481	W299-F418 HydrophobicContact CD2-CE1 4.4Å; W299-F418 HydrophobicContact CE3-CD1 4.41Å; W299-F418 HydrophobicContact CE3-CE1 4.05Å; W299-F418 HydrophobicContact CH2-CE1 4.35Å; W299-F418 HydrophobicContact CZ3-CD1 4.29Å; W299-F418 HydrophobicContact CZ3-CE1 4.02Å; A306-F418 HydrophobicContact CB-CE2 3.96Å; Y414-F418 WeakPolarHBondContact O-CD2 3.41Å; Y414-F418 PolarHBondContact O-N 2.79Å; W415-F418 PolarHBondContact O-N 2.94Å; F418-R420 PolarHBondContact O-N 2.86Å; F418-R420 VanDerWaalsContact O-N 3.13Å; F418-C421 HydrophobicContact CD1-CB 4.14Å; F418-C421 WeakPolarHBondContact O-CB 2.99Å; F418-C421 PolarHBondContact O-N 2.67Å; F418-L424 HydrophobicContact CB-CD1 3.9Å; F418-L424 HydrophobicContact CD1-CD1 3.87Å; F418-L424 HydrophobicContact CG-CD1 4.34Å; F418-W467 HydrophobicContact CB-CH2 3.66Å; F418-W467 HydrophobicContact CB-CZ2 3.99Å; F418-W467 HydrophobicContact CB-CZ3 4.46Å; F418-L477 HydrophobicContact CB-CD2 4.15Å; F418-L477 HydrophobicContact CD1-CD2 3.52Å; F418-L477 HydrophobicContact CD2-CD1 3.73Å; F418-L477 HydrophobicContact CD2-CD2 4.01Å; F418-L477 HydrophobicContact CD2-CG 4.47Å; F418-L477 HydrophobicContact CE1-CD1 4.37Å; F418-L477 HydrophobicContact CE1-CD2 3.81Å; F418-L477 HydrophobicContact CE2-CD1 3.55Å; F418-L477 HydrophobicContact CE2-CD2 4.28Å; F418-L477 HydrophobicContact CG-CD1 4.24Å; F418-L477 HydrophobicContact CG-CD2 3.62Å; F418-L477 HydrophobicContact CZ-CD1 3.89Å; F418-L477 HydrophobicContact CZ-CD2 4.19Å; F418-M481 HydrophobicContact CB-CE 3.9Å; F418-M481 HydrophobicContact CD2-CE 3.8Å; F418-M481 HydrophobicContact CG-CE 4.14Å
419	M	97.9	Very high	96.2	Very high	24 Å²	24	27 Å²	27	12%	0.118	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18	165.3	-80.8	-64.8	-69	0	0	112.9	W415 F425 V430 P431 P464 W467	W415-M419 HydrophobicContact CD2-CG 3.68Å; W415-M419 VanDerWaalsContact CE2-CG 3.47Å; W415-M419 HydrophobicContact CE3-CG 4.04Å; W415-M419 HydrophobicContact CG-CG 4.22Å; W415-M419 HydrophobicContact CH2-CE 4.35Å; W415-M419 HydrophobicContact CH2-CG 4.03Å; W415-M419 HydrophobicContact CZ2-CE 4Å; W415-M419 HydrophobicContact CZ2-CG 3.67Å; W415-M419 HydrophobicContact CZ2-SD 3.93Å; W415-M419 HydrophobicContact CZ3-CG 4.19Å; W415-M419 VanDerWaalsContact O-CB 3.29Å; W415-M419 WeakPolarHBondContact O-CB 3.1Å; W415-M419 WeakPolarHBondContact O-CG 3.23Å; W415-M419 PolarHBondContact O-N 2.77Å; M419-F425 WeakPolarHBondContact O-CE2 3.26Å; M419-F425 HydrophobicContact SD-CZ 4.23Å; M419-V430 WeakPolarHBondContact O-CG1 3.21Å; M419-P431 HydrophobicContact CE-CB 4.16Å; M419-P431 HydrophobicContact CE-CG 4.1Å; M419-P464 HydrophobicContact CE-CG 4.1Å; M419-P464 HydrophobicContact SD-CG 3.51Å; M419-P464 VanDerWaalsContact SD-CG 3.51Å; M419-W467 HydrophobicContact CG-CZ2 4.21Å; M419-W467 HydrophobicContact SD-CZ2 3.99Å
420	R	98	Very high	96.1	Very high	21 Å²	21	28.3 Å²	28.3	8%	0.079	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	15.5	176.1	-56.4	-67.9	-77.6	160	-4.4	113.5	L292 S293 T296 N297 I417 F418 P431 Y433	L292-R420 HydrophobicContact CB-CG 4.28Å; L292-R420 HydrophobicContact CD2-CB 3.9Å; L292-R420 HydrophobicContact CD2-CG 4.14Å; L292-R420 PolarHBondContact O-NE 3.33Å; L292-R420 PolarHBondContact O-NH2 3.11Å; S293-R420 PolarHBondContact O-NH2 3.37Å; S293-R420 VanDerWaalsContact O-NH2 3.09Å; T296-R420 WeakPolarHBondContact CA-O 3.47Å; N297-R420 PolarHBondContact N-O 2.91Å; I417-R420 PolarHBondContact O-N 3.45Å; F418-R420 PolarHBondContact O-N 2.86Å; F418-R420 VanDerWaalsContact O-N 3.13Å; R420-P431 WeakPolarHBondContact CD-O 3.37Å; R420-P431 PolarHBondContact NH1-O 3.08Å; R420-Y433 HydrophobicContact CG-CD2 4.46Å
421	C	97.2	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-88	112.1	176.8	-178.4	0	0	0	0	111.7	N297 W299 S302 F418 D423 L424 F425	N297-C421 CarbonylContact O-C 3.54Å; N297-C421 WeakPolarHBondContact O-CA 3.4Å; W299-C421 VanDerWaalsContact CA-SG 3.59Å; S302-C421 WeakPolarHBondContact OG-CB 3.34Å; F418-C421 HydrophobicContact CD1-CB 4.14Å; F418-C421 WeakPolarHBondContact O-CB 2.99Å; F418-C421 PolarHBondContact O-N 2.67Å; C421-D423 VanDerWaalsContact C-N 3.32Å; C421-D423 PolarHBondContact O-N 3.03Å; C421-L424 HydrophobicContact CB-CB 4.28Å; C421-L424 HydrophobicContact CB-CD1 3.99Å; C421-L424 HydrophobicContact CB-CG 4.16Å; C421-L424 PolarHBondContact O-N 3.24Å; C421-L424 VanDerWaalsContact O-N 3.08Å; C421-F425 WeakPolarHBondContact O-CD2 3.08Å
422	T	96	Very high	95.8	Very high	60 Å²	60	38.5 Å²	38.5	37%	0.368	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-58.6	-37.7	178.9	53.4	0	0	0	0	113.7	N297 L424 F425 V430	N297-T422 PolarHBondContact O-N 2.89Å; N297-T422 PolarHBondContact O-OG1 3.44Å; T422-L424 PolarHBondContact O-N 2.66Å; T422-L424 VanDerWaalsContact O-N 3.17Å; T422-F425 PolarHBondContact O-N 3.21Å; T422-V430 HydrophobicContact CG2-CG2 3.89Å
423	D	94	Very high	95.7	Very high	45 Å²	45	40.4 Å²	40.4	24%	0.241	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-63.4	-17.1	177.1	-89.7	-54	0	0	0	112.9	W299 C421 W509 K513	W299-D423 HydrophobicContact CB-CB 3.85Å; W299-D423 WeakPolarHBondContact CB-OD2 3Å; W299-D423 PolarHBondContact N-OD2 3.1Å; C421-D423 VanDerWaalsContact C-N 3.32Å; C421-D423 PolarHBondContact O-N 3.03Å; D423-W509 HydrophobicContact CB-CH2 3.93Å; D423-W509 HydrophobicContact CB-CZ2 3.63Å; D423-K513 VanDerWaalsContact CG-NZ 3.35Å; D423-K513 IonicContact OD1-NZ 2.77Å; D423-K513 PolarHBondContact OD1-NZ 3.31Å; D423-K513 IonicContact OD2-NZ 2.75Å; D423-K513 PolarHBondContact OD2-NZ 2.99Å; D423-K513 VanDerWaalsContact OD2-NZ 3.16Å
424	L	94.9	Very high	95.6	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-93.6	-5.5	178.1	-73.8	179.4	0	0	0	114.7	W299 F418 C421 T422 P426 A466 W467 V474 L477	W299-L424 HydrophobicContact CE3-CD2 4.36Å; W299-L424 HydrophobicContact CE3-CG 4.33Å; W299-L424 HydrophobicContact CZ3-CD1 4.3Å; W299-L424 HydrophobicContact CZ3-CD2 4Å; W299-L424 HydrophobicContact CZ3-CG 4.28Å; F418-L424 HydrophobicContact CB-CD1 3.9Å; F418-L424 HydrophobicContact CD1-CD1 3.87Å; F418-L424 HydrophobicContact CG-CD1 4.34Å; C421-L424 HydrophobicContact CB-CB 4.28Å; C421-L424 HydrophobicContact CB-CD1 3.99Å; C421-L424 HydrophobicContact CB-CG 4.16Å; C421-L424 PolarHBondContact O-N 3.24Å; C421-L424 VanDerWaalsContact O-N 3.08Å; T422-L424 PolarHBondContact O-N 2.66Å; T422-L424 VanDerWaalsContact O-N 3.17Å; L424-P426 WeakPolarHBondContact O-CD 3.43Å; L424-A466 WeakPolarHBondContact O-CB 3.21Å; L424-W467 HydrophobicContact CD1-CD2 3.99Å; L424-W467 HydrophobicContact CD1-CE3 4.38Å; L424-W467 HydrophobicContact CD1-CG 4.49Å; L424-W467 HydrophobicContact CD1-CH2 4.34Å; L424-W467 HydrophobicContact CD1-CZ2 3.92Å; L424-W467 HydrophobicContact CD2-CG 4.43Å; L424-V474 HydrophobicContact CD2-CB 4.48Å; L424-V474 HydrophobicContact CD2-CG1 4.06Å; L424-V474 HydrophobicContact CD2-CG2 3.63Å; L424-L477 HydrophobicContact CD1-CD2 4.17Å
425	F	94.6	Very high	95.5	Very high	9 Å²	9	45 Å²	45	4%	0.039	26%	0.263	C	S	.	.	S	Bend	trans	-121.8	58.9	175.4	-60.8	-86.9	0	0	0	111.3	M419 C421 T422 G427 E428 V430 P431 P464 A466 W467	M419-F425 WeakPolarHBondContact O-CE2 3.26Å; M419-F425 HydrophobicContact SD-CZ 4.23Å; C421-F425 WeakPolarHBondContact O-CD2 3.08Å; T422-F425 PolarHBondContact O-N 3.21Å; F425-G427 PolarHBondContact O-N 3.34Å; F425-E428 HydrophobicContact CB-CB 4.26Å; F425-E428 PolarHBondContact O-N 3.04Å; F425-E428 VanDerWaalsContact O-O 3.09Å; F425-V430 HydrophobicContact CB-CG2 4.3Å; F425-V430 HydrophobicContact CD2-CB 4.32Å; F425-V430 HydrophobicContact CD2-CG1 4.1Å; F425-V430 HydrophobicContact CD2-CG2 4.06Å; F425-V430 HydrophobicContact CE2-CG1 4.23Å; F425-V430 HydrophobicContact CG-CG2 4.49Å; F425-P431 HydrophobicContact CD1-CG 4.44Å; F425-P431 VanDerWaalsContact CE1-CD 3.44Å; F425-P431 HydrophobicContact CE1-CG 3.75Å; F425-P431 HydrophobicContact CZ-CG 3.85Å; F425-P464 HydrophobicContact CE1-CB 3.9Å; F425-P464 HydrophobicContact CE1-CG 3.89Å; F425-P464 HydrophobicContact CZ-CB 4.42Å; F425-P464 HydrophobicContact CZ-CG 3.94Å; F425-A466 HydrophobicContact CD1-CB 3.64Å; F425-A466 HydrophobicContact CE1-CB 4.07Å; F425-A466 HydrophobicContact CG-CB 4.44Å; F425-W467 AromaticContact CE2-NE1 3.75Å; F425-W467 AromaticContact CZ-NE1 3.44Å
426	P	89.3	Confident	95.4	Very high	86 Å²	86	44.4 Å²	44.4	56%	0.558	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	103.2	-171	28.8	-36.5	0	0	0	112.4	L424	L424-P426 WeakPolarHBondContact O-CD 3.43Å
427	G	86.2	Confident	95.3	Very high	90 Å²	90	44.4 Å²	44.4	93%	0.928	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	6.1	-177.1	0	0	0	0	0	114.4	F425	F425-G427 PolarHBondContact O-N 3.34Å
428	E	91.6	Very high	95.2	Very high	104 Å²	104	46.5 Å²	46.5	49%	0.486	27%	0.271	S	S	.	.	S	Bend	trans	-120.4	159.8	178.8	-67.4	169.3	-138.8	0	0	109.3	F425 K468	F425-E428 HydrophobicContact CB-CB 4.26Å; F425-E428 PolarHBondContact O-N 3.04Å; F425-E428 VanDerWaalsContact O-O 3.09Å; E428-K468 IonicContact OE1-NZ 3.92Å
429	S	93	Very high	95.1	Very high	108 Å²	108	50 Å²	50	76%	0.755	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-77.8	128.1	173.5	52.2	0	0	0	0	110.5	P431	S429-P431 WeakPolarHBondContact O-CD 3.32Å
430	V	96.3	Very high	94.9	Very high	32 Å²	32	51.6 Å²	51.6	19%	0.194	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-58.5	124.2	173	-175.9	0	0	0	0	109.4	T296 M419 T422 F425	T296-V430 HydrophobicContact CG2-CB 4.06Å; T296-V430 HydrophobicContact CG2-CG1 3.83Å; T296-V430 HydrophobicContact CG2-CG2 4.43Å; M419-V430 WeakPolarHBondContact O-CG1 3.21Å; T422-V430 HydrophobicContact CG2-CG2 3.89Å; F425-V430 HydrophobicContact CB-CG2 4.3Å; F425-V430 HydrophobicContact CD2-CB 4.32Å; F425-V430 HydrophobicContact CD2-CG1 4.1Å; F425-V430 HydrophobicContact CD2-CG2 4.06Å; F425-V430 HydrophobicContact CE2-CG1 4.23Å; F425-V430 HydrophobicContact CG-CG2 4.49Å
431	P	95.5	Very high	94.8	Very high	46 Å²	46	51.7 Å²	51.7	30%	0.299	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-56.8	149.6	178.9	-25.3	34.8	0	0	0	112.4	M419 R420 F425 S429	M419-P431 HydrophobicContact CE-CB 4.16Å; M419-P431 HydrophobicContact CE-CG 4.1Å; R420-P431 WeakPolarHBondContact CD-O 3.37Å; R420-P431 PolarHBondContact NH1-O 3.08Å; F425-P431 HydrophobicContact CD1-CG 4.44Å; F425-P431 VanDerWaalsContact CE1-CD 3.44Å; F425-P431 HydrophobicContact CE1-CG 3.75Å; F425-P431 HydrophobicContact CZ-CG 3.85Å; S429-P431 WeakPolarHBondContact O-CD 3.32Å
432	E	96.6	Very high	94.7	Very high	168 Å²	168	53.4 Å²	53.4	79%	0.785	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-58.2	153.3	171.8	-65.8	-172.5	161.2	0	0	111.3	Q434	E432-Q434 PolarHBondContact O-N 3.28Å
433	Y	97.6	Very high	94.6	Very high	40 Å²	40	54.2 Å²	54.2	16%	0.157	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-64.7	130.5	-179	169.9	-100.6	0	0	0	111.2	S289 L292 S337 E416 R420 M435	S289-Y433 VanDerWaalsContact CB-OH 3.28Å; S289-Y433 WeakPolarHBondContact CB-OH 3.45Å; L292-Y433 HydrophobicContact CB-CD2 3.57Å; L292-Y433 HydrophobicContact CB-CE2 3.9Å; L292-Y433 HydrophobicContact CB-CG 4.24Å; L292-Y433 HydrophobicContact CD1-CD2 4.34Å; L292-Y433 HydrophobicContact CD1-CE2 4.04Å; S337-Y433 PolarHBondContact OG-OH 2.91Å; E416-Y433 HydrophobicContact CB-CE2 4.24Å; E416-Y433 HydrophobicContact CG-CE2 4.38Å; E416-Y433 PolarHBondContact OE2-OH 3.36Å; R420-Y433 HydrophobicContact CG-CD2 4.46Å; Y433-M435 HydrophobicContact CE1-CG 4.32Å
434	Q	96.5	Very high	94.5	Very high	81 Å²	81	56.3 Å²	56.3	38%	0.379	34%	0.34	S	S	.	.			trans	-132.6	142.1	172.7	-67.9	-176.8	3.9	0	0	108.1	E432 Q438	E432-Q434 PolarHBondContact O-N 3.28Å; Q434-Q438 HydrophobicContact CB-CB 4.24Å
435	M	95.5	Very high	94.6	Very high	14 Å²	14	56.9 Å²	56.9	7%	0.069	34%	0.344	C	S	.	.			trans	-67.2	155	167.7	-56.2	171.2	-76.5	0	0	109.5	R338 E416 Y433 F437 Q438	R338-M435 PolarHBondContact NH2-SD 3.19Å; R338-M435 VanDerWaalsContact NH2-SD 3.38Å; E416-M435 WeakPolarHBondContact OE1-CA 3.43Å; Y433-M435 HydrophobicContact CE1-CG 4.32Å; M435-F437 PolarHBondContact O-N 2.89Å; M435-Q438 HydrophobicContact CB-CB 4.35Å; M435-Q438 HydrophobicContact CE-CG 4.26Å; M435-Q438 WeakPolarHBondContact O-CB 3.33Å; M435-Q438 PolarHBondContact O-N 3.24Å
436	A	96.6	Very high	94.6	Very high	0 Å²	0	60 Å²	60	0%	0	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	135.2	173.6	0	0	0	0	0	111.7	R382 L412 W415 E416 Q438 P461	R382-A436 WeakPolarHBondContact CD-O 3.31Å; R382-A436 WeakPolarHBondContact CG-O 3.31Å; R382-A436 PolarHBondContact NH1-O 2.62Å; L412-A436 HydrophobicContact CB-CB 3.78Å; L412-A436 HydrophobicContact CD1-CB 4.33Å; L412-A436 HydrophobicContact CD2-CB 4.02Å; L412-A436 HydrophobicContact CG-CB 4.25Å; W415-A436 HydrophobicContact CE3-CB 4.4Å; E416-A436 PolarHBondContact OE1-N 3.45Å; A436-Q438 PolarHBondContact O-N 3.31Å; A436-P461 HydrophobicContact CB-CG 3.9Å
437	F	97.8	Very high	94.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	14.2	-174.6	-50.2	-77.5	0	0	0	116.4	R382 L412 M435 E440 A441 M450 L453 V454 P461	R382-F437 PolarHBondContact NH1-O 3.5Å; L412-F437 HydrophobicContact CD1-CE2 3.96Å; L412-F437 HydrophobicContact CD2-CD2 4.41Å; L412-F437 HydrophobicContact CD2-CE2 3.59Å; L412-F437 HydrophobicContact CD2-CZ 4.06Å; L412-F437 HydrophobicContact CG-CE2 4.46Å; M435-F437 PolarHBondContact O-N 2.89Å; F437-E440 WeakPolarHBondContact CA-OE2 3.32Å; F437-E440 PolarHBondContact O-N 2.61Å; F437-A441 PolarHBondContact O-N 3.11Å; F437-M450 HydrophobicContact CB-CE 4.28Å; F437-M450 HydrophobicContact CD2-CE 3.61Å; F437-M450 HydrophobicContact CE2-CE 3.99Å; F437-M450 HydrophobicContact CG-CE 3.95Å; F437-L453 HydrophobicContact CB-CD2 4.19Å; F437-L453 HydrophobicContact CD1-CD2 3.63Å; F437-L453 HydrophobicContact CD1-CG 4.39Å; F437-L453 HydrophobicContact CE1-CD2 4.27Å; F437-L453 HydrophobicContact CG-CD2 4.17Å; F437-V454 HydrophobicContact CE1-CG2 3.8Å; F437-V454 HydrophobicContact CE2-CG2 3.82Å; F437-V454 HydrophobicContact CZ-CG2 3.41Å; F437-V454 VanDerWaalsContact CZ-CG2 3.41Å; F437-P461 HydrophobicContact CD1-CG 4.29Å; F437-P461 HydrophobicContact CD2-CG 4.36Å; F437-P461 HydrophobicContact CE1-CG 4.15Å; F437-P461 HydrophobicContact CE2-CG 4.21Å; F437-P461 HydrophobicContact CG-CG 4.41Å; F437-P461 HydrophobicContact CZ-CG 4.1Å
438	Q	96.6	Very high	95.3	Very high	44 Å²	44	60.9 Å²	60.9	21%	0.206	34%	0.335	C	S	.	.	H	α-helix	trans	-71.6	-31	179.4	-172.1	177.1	-8	0	0	112.6	Q434 M435 A436 G442 N443	Q434-Q438 HydrophobicContact CB-CB 4.24Å; M435-Q438 HydrophobicContact CB-CB 4.35Å; M435-Q438 HydrophobicContact CE-CG 4.26Å; M435-Q438 WeakPolarHBondContact O-CB 3.33Å; M435-Q438 PolarHBondContact O-N 3.24Å; A436-Q438 PolarHBondContact O-N 3.31Å; Q438-G442 VanDerWaalsContact O-CA 3.26Å; Q438-G442 WeakPolarHBondContact O-CA 3.31Å; Q438-G442 PolarHBondContact O-N 3.48Å; Q438-G442 VanDerWaalsContact O-N 3.09Å; Q438-N443 PolarHBondContact NE2-OD1 2.68Å
439	A	94.6	Very high	95.6	Very high	73 Å²	73	59.7 Å²	59.7	60%	0.603	33%	0.332	S	S	*	.	H	α-helix	trans	-72.6	-35.6	173.2	0	0	0	0	0	112.6
440	E	95.3	Very high	95.8	Very high	58 Å²	58	54.5 Å²	54.5	27%	0.271	30%	0.296	S	S	.	.	H	α-helix	trans	-81.1	-37.4	-178.6	-72.3	77.3	-171.6	0	0	113.8	F437 L453 K462	F437-E440 WeakPolarHBondContact CA-OE2 3.32Å; F437-E440 PolarHBondContact O-N 2.61Å; E440-L453 HydrophobicContact CB-CD1 4.26Å; E440-L453 HydrophobicContact CB-CD2 3.81Å; E440-K462 IonicContact OE1-NZ 3.69Å; E440-K462 PolarHBondContact OE1-NZ 3.21Å
441	A	95.1	Very high	95.8	Very high	24 Å²	24	55.1 Å²	55.1	20%	0.198	30%	0.296	C	S	.	.	H	α-helix	trans	-129.8	16.2	-169.2	0	0	0	0	0	114.1	F437 P445 M450 L453	F437-A441 PolarHBondContact O-N 3.11Å; A441-P445 HydrophobicContact CB-CB 3.76Å; A441-P445 HydrophobicContact CB-CG 4.44Å; A441-M450 HydrophobicContact CB-SD 4.29Å; A441-L453 HydrophobicContact CB-CD2 4.07Å
442	G	95.3	Very high	95.9	Very high	35 Å²	35	55 Å²	55	36%	0.361	30%	0.295	S	S	.	.			trans	66.4	-165	178.7	0	0	0	0	0	114	R382 Q438	R382-G442 PolarHBondContact NH2-O 2.84Å; Q438-G442 VanDerWaalsContact O-CA 3.26Å; Q438-G442 WeakPolarHBondContact O-CA 3.31Å; Q438-G442 PolarHBondContact O-N 3.48Å; Q438-G442 VanDerWaalsContact O-N 3.09Å
443	N	93.4	Very high	96	Very high	77 Å²	77	48 Å²	48	41%	0.412	26%	0.262	S	S	.	.	S	Bend	trans	-73.9	-39.5	-178.5	-68.6	-4.7	0	0	0	112.8	R382 Q438 P445	R382-N443 VanDerWaalsContact NH2-C 3.27Å; R382-N443 PolarHBondContact NH2-O 3.41Å; Q438-N443 PolarHBondContact NE2-OD1 2.68Å; N443-P445 WeakPolarHBondContact O-CD 3.08Å
444	H	93	Very high	96	Very high	90 Å²	90	46 Å²	46	42%	0.417	26%	0.255	S	S	.	.	S	Bend	trans	-127.2	71.4	-172.3	-77	79.3	0	0	0	112.4	E836	H444-E836 WeakPolarHBondContact CE1-CG 3.38Å; H444-E836 IonicContact CE1-OE1 3.25Å; H444-E836 PolarHBondContact CE1-OE1 3.34Å; H444-E836 IonicContact CE1-OE2 3.85Å; H444-E836 PolarHBondContact CE1-OE2 2.76Å; H444-E836 VanDerWaalsContact CE1-OE2 3.26Å; H444-E836 IonicContact CG-OE2 3.15Å; H444-E836 WeakPolarHBondContact ND1-CG 3.34Å; H444-E836 IonicContact ND1-OE1 2.76Å; H444-E836 IonicContact ND1-OE2 3.47Å; H444-E836 PolarHBondContact ND1-OE2 3.46Å
445	P	95.7	Very high	95.9	Very high	15 Å²	15	42.4 Å²	42.4	10%	0.097	24%	0.238	C	C	.	.			trans	-66	136.6	174.4	29.8	-36.2	0	0	0	110.4	R382 A441 N443 D449 M450	R382-P445 VanDerWaalsContact NH2-CD 3.29Å; A441-P445 HydrophobicContact CB-CB 3.76Å; A441-P445 HydrophobicContact CB-CG 4.44Å; N443-P445 WeakPolarHBondContact O-CD 3.08Å; P445-D449 HydrophobicContact CB-CB 4.2Å; P445-M450 HydrophobicContact CB-CG 3.91Å; P445-M450 HydrophobicContact CB-SD 3.73Å; P445-M450 HydrophobicContact CG-CG 4.07Å; P445-M450 HydrophobicContact CG-SD 3.79Å
446	T	95.8	Very high	96	Very high	75 Å²	75	48.5 Å²	48.5	46%	0.46	26%	0.261	S	S	.	.			trans	-72.2	168.6	170	72.2	0	0	0	0	110.8	E448 D449 M450	T446-E448 PolarHBondContact O-N 3.07Å; T446-E448 PolarHBondContact OG1-N 3.24Å; T446-D449 WeakPolarHBondContact CA-OD2 3.02Å; T446-D449 VanDerWaalsContact CB-OD2 3.25Å; T446-D449 WeakPolarHBondContact CB-OD2 3.35Å; T446-D449 WeakPolarHBondContact CG2-OD2 3.32Å; T446-D449 PolarHBondContact N-OD2 3.27Å; T446-D449 PolarHBondContact O-N 3Å; T446-D449 PolarHBondContact OG1-N 3.21Å; T446-D449 VanDerWaalsContact OG1-N 3.16Å; T446-D449 PolarHBondContact OG1-OD2 2.78Å; T446-M450 PolarHBondContact O-N 2.73Å; T446-M450 VanDerWaalsContact O-N 3.15Å
447	F	94.9	Very high	96	Very high	78 Å²	78	54.1 Å²	54.1	34%	0.342	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-34.7	172.7	-175.3	-89.1	0	0	0	112	I381 M384 L389 Q451	I381-F447 HydrophobicContact CD1-CB 4.39Å; M384-F447 HydrophobicContact SD-CD2 4.05Å; M384-F447 HydrophobicContact SD-CE2 3.92Å; L389-F447 HydrophobicContact CD2-CD2 3.96Å; L389-F447 HydrophobicContact CD2-CE2 3.86Å; L389-F447 HydrophobicContact CD2-CZ 4.36Å; L389-F447 WeakPolarHBondContact O-CE1 3.25Å; L389-F447 VanDerWaalsContact O-CZ 3.26Å; L389-F447 WeakPolarHBondContact O-CZ 3.07Å; F447-Q451 WeakPolarHBondContact O-CB 3.14Å; F447-Q451 PolarHBondContact O-N 2.81Å
448	E	95.7	Very high	96	Very high	117 Å²	117	60.1 Å²	60.1	55%	0.547	31%	0.313	S	S	.	.	H	α-helix	trans	-71.7	-40.6	176.8	-177.8	155.1	-147	0	0	112	T446 M450 Q451 V452 R456	T446-E448 PolarHBondContact O-N 3.07Å; T446-E448 PolarHBondContact OG1-N 3.24Å; E448-M450 VanDerWaalsContact C-N 3.34Å; E448-M450 PolarHBondContact O-N 2.75Å; E448-Q451 PolarHBondContact O-N 3.04Å; E448-V452 HydrophobicContact CG-CG2 4.24Å; E448-V452 WeakPolarHBondContact O-CG2 3.39Å; E448-V452 PolarHBondContact O-N 2.79Å; E448-R456 IonicContact OE1-NH1 2.79Å; E448-R456 IonicContact OE1-NH2 3.45Å; E448-R456 PolarHBondContact OE1-NH2 3.05Å
449	D	96.6	Very high	96.1	Very high	78 Å²	78	61.5 Å²	61.5	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-57.3	-48	175.5	-59.3	-54.8	0	0	0	111	P445 T446 V452 L453	P445-D449 HydrophobicContact CB-CB 4.2Å; T446-D449 WeakPolarHBondContact CA-OD2 3.02Å; T446-D449 VanDerWaalsContact CB-OD2 3.25Å; T446-D449 WeakPolarHBondContact CB-OD2 3.35Å; T446-D449 WeakPolarHBondContact CG2-OD2 3.32Å; T446-D449 PolarHBondContact N-OD2 3.27Å; T446-D449 PolarHBondContact O-N 3Å; T446-D449 PolarHBondContact OG1-N 3.21Å; T446-D449 VanDerWaalsContact OG1-N 3.16Å; T446-D449 PolarHBondContact OG1-OD2 2.78Å; D449-V452 PolarHBondContact O-N 3.38Å; D449-L453 VanDerWaalsContact O-CB 3.24Å; D449-L453 WeakPolarHBondContact O-CB 3.29Å; D449-L453 PolarHBondContact O-N 2.77Å
450	M	97.5	Very high	96.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-41.6	176.7	-67.3	-49.4	-59.3	0	0	112.2	I381 L389 F437 A441 P445 T446 E448 V452 L453 V454	I381-M450 HydrophobicContact CG2-CB 4.07Å; I381-M450 HydrophobicContact CG2-CG 3.53Å; L389-M450 HydrophobicContact CD1-CB 4Å; L389-M450 HydrophobicContact CD2-CB 3.82Å; F437-M450 HydrophobicContact CB-CE 4.28Å; F437-M450 HydrophobicContact CD2-CE 3.61Å; F437-M450 HydrophobicContact CE2-CE 3.99Å; F437-M450 HydrophobicContact CG-CE 3.95Å; A441-M450 HydrophobicContact CB-SD 4.29Å; P445-M450 HydrophobicContact CB-CG 3.91Å; P445-M450 HydrophobicContact CB-SD 3.73Å; P445-M450 HydrophobicContact CG-CG 4.07Å; P445-M450 HydrophobicContact CG-SD 3.79Å; T446-M450 PolarHBondContact O-N 2.73Å; T446-M450 VanDerWaalsContact O-N 3.15Å; E448-M450 VanDerWaalsContact C-N 3.34Å; E448-M450 PolarHBondContact O-N 2.75Å; M450-V452 VanDerWaalsContact C-N 3.33Å; M450-V452 PolarHBondContact O-N 3.49Å; M450-L453 PolarHBondContact O-N 2.75Å; M450-V454 HydrophobicContact CE-CG2 3.53Å; M450-V454 VanDerWaalsContact O-CB 3.31Å; M450-V454 WeakPolarHBondContact O-CB 3.44Å; M450-V454 PolarHBondContact O-N 3.35Å
451	Q	96.5	Very high	96.3	Very high	44 Å²	44	56.9 Å²	56.9	21%	0.206	28%	0.284	C	S	.	.	I	π-helix	trans	-62.4	-40.5	177.2	-169.4	-165.5	93.6	0	0	111.6	L389 F447 E448 S455 R456	L389-Q451 HydrophobicContact CB-CB 4.27Å; L389-Q451 HydrophobicContact CB-CG 4.31Å; L389-Q451 PolarHBondContact O-NE2 3.04Å; F447-Q451 WeakPolarHBondContact O-CB 3.14Å; F447-Q451 PolarHBondContact O-N 2.81Å; E448-Q451 PolarHBondContact O-N 3.04Å; Q451-S455 WeakPolarHBondContact O-CA 3.01Å; Q451-S455 VanDerWaalsContact O-CB 3.24Å; Q451-S455 WeakPolarHBondContact O-CB 3.41Å; Q451-S455 PolarHBondContact O-N 2.67Å; Q451-S455 VanDerWaalsContact O-N 3.13Å; Q451-R456 PolarHBondContact O-N 3.41Å
452	V	97.4	Very high	96.3	Very high	43 Å²	43	61.7 Å²	61.7	26%	0.261	30%	0.301	S	S	.	.	I	π-helix	trans	-62.7	-54.9	173.9	172.9	0	0	0	0	109.9	E448 D449 M450 R456 E457	E448-V452 HydrophobicContact CG-CG2 4.24Å; E448-V452 WeakPolarHBondContact O-CG2 3.39Å; E448-V452 PolarHBondContact O-N 2.79Å; D449-V452 PolarHBondContact O-N 3.38Å; M450-V452 VanDerWaalsContact C-N 3.33Å; M450-V452 PolarHBondContact O-N 3.49Å; V452-R456 WeakPolarHBondContact O-CB 3.42Å; V452-R456 PolarHBondContact O-N 2.73Å; V452-E457 HydrophobicContact CG1-CG 4.32Å; V452-E457 WeakPolarHBondContact O-CB 3.38Å; V452-E457 PolarHBondContact O-N 3.27Å
453	L	98	Very high	96.3	Very high	21 Å²	21	62.1 Å²	62.1	11%	0.11	29%	0.293	C	S	.	.	I	π-helix	trans	-65	-50.1	-173.3	-174	69.2	0	0	0	113.4	F437 E440 A441 D449 M450 K458 Q459	F437-L453 HydrophobicContact CB-CD2 4.19Å; F437-L453 HydrophobicContact CD1-CD2 3.63Å; F437-L453 HydrophobicContact CD1-CG 4.39Å; F437-L453 HydrophobicContact CE1-CD2 4.27Å; F437-L453 HydrophobicContact CG-CD2 4.17Å; E440-L453 HydrophobicContact CB-CD1 4.26Å; E440-L453 HydrophobicContact CB-CD2 3.81Å; A441-L453 HydrophobicContact CB-CD2 4.07Å; D449-L453 VanDerWaalsContact O-CB 3.24Å; D449-L453 WeakPolarHBondContact O-CB 3.29Å; D449-L453 PolarHBondContact O-N 2.77Å; M450-L453 PolarHBondContact O-N 2.75Å; L453-K458 PolarHBondContact O-N 2.71Å; L453-Q459 HydrophobicContact CD1-CB 3.7Å; L453-Q459 HydrophobicContact CD1-CG 3.65Å; L453-Q459 HydrophobicContact CG-CB 4Å; L453-Q459 HydrophobicContact CG-CG 4.41Å; L453-Q459 WeakPolarHBondContact O-CB 3.1Å; L453-Q459 PolarHBondContact O-N 2.74Å
454	V	97.9	Very high	96.3	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-90	-37.3	-170.5	167.1	0	0	0	0	112.9	P386 L389 Y408 F437 M450 K458 R460 Q487	P386-V454 HydrophobicContact CB-CG1 4.31Å; P386-V454 HydrophobicContact CG-CG1 3.76Å; L389-V454 HydrophobicContact CD1-CB 3.83Å; L389-V454 HydrophobicContact CD1-CG1 3.83Å; Y408-V454 HydrophobicContact CE2-CG1 4.42Å; Y408-V454 VanDerWaalsContact OH-CG1 3.24Å; Y408-V454 WeakPolarHBondContact OH-CG1 2.98Å; F437-V454 HydrophobicContact CE1-CG2 3.8Å; F437-V454 HydrophobicContact CE2-CG2 3.82Å; F437-V454 HydrophobicContact CZ-CG2 3.41Å; F437-V454 VanDerWaalsContact CZ-CG2 3.41Å; M450-V454 HydrophobicContact CE-CG2 3.53Å; M450-V454 VanDerWaalsContact O-CB 3.31Å; M450-V454 WeakPolarHBondContact O-CB 3.44Å; M450-V454 PolarHBondContact O-N 3.35Å; V454-K458 WeakPolarHBondContact O-CA 3.2Å; V454-R460 PolarHBondContact O-NH1 2.83Å; V454-R460 VanDerWaalsContact O-NH1 3.11Å; V454-Q487 PolarHBondContact O-OE1 2.76Å
455	S	95.7	Very high	96.2	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.028	30%	0.302	C	S	.	.	I	π-helix	trans	-96.2	-51.3	-176	-57	0	0	0	0	112.9	P386 E390 Q451 K458 Q487	P386-S455 VanDerWaalsContact CA-OG 3.29Å; P386-S455 WeakPolarHBondContact CA-OG 3.26Å; P386-S455 PolarHBondContact O-OG 3.33Å; P386-S455 VanDerWaalsContact O-OG 3.07Å; E390-S455 WeakPolarHBondContact OE1-CB 3.05Å; Q451-S455 WeakPolarHBondContact O-CA 3.01Å; Q451-S455 VanDerWaalsContact O-CB 3.24Å; Q451-S455 WeakPolarHBondContact O-CB 3.41Å; Q451-S455 PolarHBondContact O-N 2.67Å; Q451-S455 VanDerWaalsContact O-N 3.13Å; S455-K458 WeakPolarHBondContact O-CG 3.01Å; S455-Q487 PolarHBondContact O-NE2 2.65Å
456	R	95.9	Very high	96	Very high	142 Å²	142	63.7 Å²	63.7	54%	0.536	30%	0.3	S	S	.	.	I	π-helix	trans	-77.4	-50.2	-176.3	-53.7	-177.3	-165.9	165.9	6.7	112.1	E448 Q451 V452	E448-R456 IonicContact OE1-NH1 2.79Å; E448-R456 IonicContact OE1-NH2 3.45Å; E448-R456 PolarHBondContact OE1-NH2 3.05Å; Q451-R456 PolarHBondContact O-N 3.41Å; V452-R456 WeakPolarHBondContact O-CB 3.42Å; V452-R456 PolarHBondContact O-N 2.73Å
457	E	97.6	Very high	95.8	Very high	118 Å²	118	60.2 Å²	60.2	55%	0.551	28%	0.279	S	S	*	.	S	Bend	trans	-87.6	-18.5	-179.6	-64.6	-169.2	-178.7	0	0	114	V452 Q459	V452-E457 HydrophobicContact CG1-CG 4.32Å; V452-E457 WeakPolarHBondContact O-CB 3.38Å; V452-E457 PolarHBondContact O-N 3.27Å; E457-Q459 VanDerWaalsContact C-N 3.26Å; E457-Q459 HydrophobicContact CB-CG 4.06Å; E457-Q459 PolarHBondContact O-N 2.7Å
458	K	97.8	Very high	95.2	Very high	126 Å²	126	61.3 Å²	61.3	55%	0.548	28%	0.283	S	S	.	.			trans	61.7	29.7	177.3	-52.2	-172.8	178.2	-171.1	0	114.4	L453 V454 S455 Q487	L453-K458 PolarHBondContact O-N 2.71Å; V454-K458 WeakPolarHBondContact O-CA 3.2Å; S455-K458 WeakPolarHBondContact O-CG 3.01Å; K458-Q487 HydrophobicContact CD-CG 3.98Å; K458-Q487 HydrophobicContact CG-CG 4.5Å
459	Q	97.6	Very high	94.4	Very high	74 Å²	74	60.6 Å²	60.6	35%	0.346	28%	0.28	S	S	.	.			trans	-67.2	155.6	173.2	-59.2	-64.6	-18	0	0	111.2	L453 E457	L453-Q459 HydrophobicContact CD1-CB 3.7Å; L453-Q459 HydrophobicContact CD1-CG 3.65Å; L453-Q459 HydrophobicContact CG-CB 4Å; L453-Q459 HydrophobicContact CG-CG 4.41Å; L453-Q459 WeakPolarHBondContact O-CB 3.1Å; L453-Q459 PolarHBondContact O-N 2.74Å; E457-Q459 VanDerWaalsContact C-N 3.26Å; E457-Q459 HydrophobicContact CB-CG 4.06Å; E457-Q459 PolarHBondContact O-N 2.7Å
460	R	98.1	Very high	93.6	Very high	32 Å²	32	63.7 Å²	63.7	12%	0.121	30%	0.296	C	S	.	.			trans	-139.3	159.6	173	-63.6	-63	-177.2	-89.6	0.4	108.5	V454 K462 W485	V454-R460 PolarHBondContact O-NH1 2.83Å; V454-R460 VanDerWaalsContact O-NH1 3.11Å; R460-K462 PolarHBondContact O-N 3.23Å; R460-W485 HydrophobicContact CB-CD2 4.32Å; R460-W485 HydrophobicContact CB-CZ2 4Å; R460-W485 HydrophobicContact CG-CD2 4.31Å; R460-W485 HydrophobicContact CG-CG 4.19Å; R460-W485 PolarHBondContact NE-O 3.48Å; R460-W485 PolarHBondContact NH2-O 2.9Å
461	P	97.1	Very high	93.2	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.013	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-58.2	127.1	177.8	-22.3	34.9	0	0	0	110.4	L412 W415 A436 F437 W485	L412-P461 HydrophobicContact CD2-CG 3.69Å; W415-P461 HydrophobicContact CD2-CB 3.52Å; W415-P461 HydrophobicContact CD2-CG 4.39Å; W415-P461 VanDerWaalsContact CE2-CB 3.42Å; W415-P461 HydrophobicContact CE3-CB 4.03Å; W415-P461 HydrophobicContact CG-CB 3.84Å; W415-P461 HydrophobicContact CH2-CB 4.35Å; W415-P461 HydrophobicContact CZ2-CB 3.86Å; W415-P461 HydrophobicContact CZ3-CB 4.42Å; A436-P461 HydrophobicContact CB-CG 3.9Å; F437-P461 HydrophobicContact CD1-CG 4.29Å; F437-P461 HydrophobicContact CD2-CG 4.36Å; F437-P461 HydrophobicContact CE1-CG 4.15Å; F437-P461 HydrophobicContact CE2-CG 4.21Å; F437-P461 HydrophobicContact CG-CG 4.41Å; F437-P461 HydrophobicContact CZ-CG 4.1Å; P461-W485 HydrophobicContact CG-CZ3 4.2Å
462	K	94.7	Very high	93	Very high	125 Å²	125	67 Å²	67	54%	0.543	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-71.7	142	-170.3	-59.4	-174.3	-171.5	75.7	0	111.5	W415 E440 R460	W415-K462 PolarHBondContact NE1-O 2.78Å; E440-K462 IonicContact OE1-NZ 3.69Å; E440-K462 PolarHBondContact OE1-NZ 3.21Å; R460-K462 PolarHBondContact O-N 3.23Å
463	F	95.6	Very high	92.8	Very high	44 Å²	44	64.9 Å²	64.9	19%	0.193	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-78.9	131.3	167.7	-58.5	-54.6	0	0	0	110.1	W467 K478 M481 E482 W485	F463-W467 HydrophobicContact CB-CE3 4.38Å; F463-W467 AromaticContact CD1-CE3 3.68Å; F463-W467 HydrophobicContact CD1-CE3 3.68Å; F463-W467 HydrophobicContact CD1-CH2 4.25Å; F463-W467 AromaticContact CD1-CZ3 3.46Å; F463-W467 HydrophobicContact CD1-CZ3 3.46Å; F463-W467 VanDerWaalsContact CD1-CZ3 3.46Å; F463-W467 HydrophobicContact CE1-CE3 4.37Å; F463-W467 AromaticContact CE1-CZ3 3.83Å; F463-W467 HydrophobicContact CE1-CZ3 3.83Å; F463-W467 HydrophobicContact CG-CE3 4.3Å; F463-W467 HydrophobicContact CG-CZ3 4.49Å; F463-K478 HydrophobicContact CD1-CG 4.25Å; F463-K478 HydrophobicContact CD2-CD 4.08Å; F463-K478 HydrophobicContact CD2-CG 3.92Å; F463-K478 HydrophobicContact CE1-CG 4.18Å; F463-K478 HydrophobicContact CE2-CB 4.06Å; F463-K478 HydrophobicContact CE2-CD 4.39Å; F463-K478 HydrophobicContact CE2-CG 3.84Å; F463-K478 HydrophobicContact CG-CD 4.37Å; F463-K478 HydrophobicContact CG-CG 4.13Å; F463-K478 HydrophobicContact CZ-CB 4.16Å; F463-K478 HydrophobicContact CZ-CG 3.98Å; F463-M481 HydrophobicContact CE1-CB 4.41Å; F463-M481 HydrophobicContact CE1-SD 3.73Å; F463-M481 HydrophobicContact CZ-CB 4.17Å; F463-M481 HydrophobicContact CZ-SD 4.4Å; F463-E482 HydrophobicContact CE2-CG 4.07Å; F463-E482 HydrophobicContact CZ-CG 4.21Å; F463-W485 AromaticContact CE1-CH2 3.86Å; F463-W485 HydrophobicContact CE1-CH2 3.86Å; F463-W485 HydrophobicContact CE1-CZ2 4.04Å; F463-W485 HydrophobicContact CE2-CZ2 4.24Å; F463-W485 AromaticContact CZ-CH2 3.88Å; F463-W485 HydrophobicContact CZ-CH2 3.88Å; F463-W485 AromaticContact CZ-CZ2 3.56Å; F463-W485 HydrophobicContact CZ-CZ2 3.56Å
464	P	93.8	Very high	92.6	Very high	31 Å²	31	64.2 Å²	64.2	20%	0.201	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-64.6	147.8	173.4	-23.2	34.4	0	0	0	113	M419 F425 A466 W467	M419-P464 HydrophobicContact CE-CG 4.1Å; M419-P464 HydrophobicContact SD-CG 3.51Å; M419-P464 VanDerWaalsContact SD-CG 3.51Å; F425-P464 HydrophobicContact CE1-CB 3.9Å; F425-P464 HydrophobicContact CE1-CG 3.89Å; F425-P464 HydrophobicContact CZ-CB 4.42Å; F425-P464 HydrophobicContact CZ-CG 3.94Å; P464-A466 HydrophobicContact CB-CB 4.4Å; P464-A466 PolarHBondContact O-N 3.29Å; P464-A466 VanDerWaalsContact O-N 3.07Å; P464-W467 WeakPolarHBondContact O-CB 3.2Å; P464-W467 PolarHBondContact O-N 2.89Å
465	E	90.4	Very high	92.4	Very high	177 Å²	177	68 Å²	68	83%	0.827	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.4	173.5	-64.6	-63.1	156.9	0	0	113.5	W467	E465-W467 PolarHBondContact O-N 2.75Å
466	A	91.1	Very high	92.5	Very high	6 Å²	6	69 Å²	69	5%	0.05	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.4	170.8	0	0	0	0	0	112.8	L424 F425 P464 K468	L424-A466 WeakPolarHBondContact O-CB 3.21Å; F425-A466 HydrophobicContact CD1-CB 3.64Å; F425-A466 HydrophobicContact CE1-CB 4.07Å; F425-A466 HydrophobicContact CG-CB 4.44Å; P464-A466 HydrophobicContact CB-CB 4.4Å; P464-A466 PolarHBondContact O-N 3.29Å; P464-A466 VanDerWaalsContact O-N 3.07Å; A466-K468 PolarHBondContact O-N 2.87Å
467	W	92.7	Very high	92.5	Very high	3 Å²	3	62.3 Å²	62.3	1%	0.011	30%	0.296	C	S	.	.	S	Bend	trans	-78.2	63.3	-177.7	-65.4	24.3	0	0	0	111.5	F418 M419 L424 F425 F463 P464 E465 E469 V474 L477 K478 M481	F418-W467 HydrophobicContact CB-CH2 3.66Å; F418-W467 HydrophobicContact CB-CZ2 3.99Å; F418-W467 HydrophobicContact CB-CZ3 4.46Å; M419-W467 HydrophobicContact CG-CZ2 4.21Å; M419-W467 HydrophobicContact SD-CZ2 3.99Å; L424-W467 HydrophobicContact CD1-CD2 3.99Å; L424-W467 HydrophobicContact CD1-CE3 4.38Å; L424-W467 HydrophobicContact CD1-CG 4.49Å; L424-W467 HydrophobicContact CD1-CH2 4.34Å; L424-W467 HydrophobicContact CD1-CZ2 3.92Å; L424-W467 HydrophobicContact CD2-CG 4.43Å; F425-W467 AromaticContact CE2-NE1 3.75Å; F425-W467 AromaticContact CZ-NE1 3.44Å; F463-W467 HydrophobicContact CB-CE3 4.38Å; F463-W467 AromaticContact CD1-CE3 3.68Å; F463-W467 HydrophobicContact CD1-CE3 3.68Å; F463-W467 HydrophobicContact CD1-CH2 4.25Å; F463-W467 AromaticContact CD1-CZ3 3.46Å; F463-W467 HydrophobicContact CD1-CZ3 3.46Å; F463-W467 VanDerWaalsContact CD1-CZ3 3.46Å; F463-W467 HydrophobicContact CE1-CE3 4.37Å; F463-W467 AromaticContact CE1-CZ3 3.83Å; F463-W467 HydrophobicContact CE1-CZ3 3.83Å; F463-W467 HydrophobicContact CG-CE3 4.3Å; F463-W467 HydrophobicContact CG-CZ3 4.49Å; P464-W467 WeakPolarHBondContact O-CB 3.2Å; P464-W467 PolarHBondContact O-N 2.89Å; E465-W467 PolarHBondContact O-N 2.75Å; W467-E469 PolarHBondContact O-N 3.46Å; W467-V474 HydrophobicContact CB-CG1 4.08Å; W467-L477 HydrophobicContact CZ3-CD2 4.5Å; W467-K478 HydrophobicContact CE3-CG 4.39Å; W467-K478 PolarHBondContact O-NZ 2.73Å; W467-M481 HydrophobicContact CH2-CE 3.89Å; W467-M481 HydrophobicContact CZ3-CE 3.82Å; W467-M481 HydrophobicContact CZ3-SD 4.34Å
468	K	82.4	Confident	92.5	Very high	101 Å²	101	57.6 Å²	57.6	44%	0.439	27%	0.274	S	S	.	.			trans	-64.6	125.7	-174.9	-72	149.7	-172.9	152.1	0	111.1	E428 A466 N470	E428-K468 IonicContact OE1-NZ 3.92Å; A466-K468 PolarHBondContact O-N 2.87Å; K468-N470 PolarHBondContact O-N 3.48Å; K468-N470 PolarHBondContact O-OD1 3.39Å; K468-N470 VanDerWaalsContact O-OD1 3.06Å
469	E	78.3	Confident	92.5	Very high	102 Å²	102	55.1 Å²	55.1	48%	0.477	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	21.9	-179.3	-71.4	161	-142.3	0	0	113.7	W467 S471 R475 K478	W467-E469 PolarHBondContact O-N 3.46Å; E469-S471 VanDerWaalsContact C-N 3.34Å; E469-R475 HydrophobicContact CG-CB 4.46Å; E469-R475 HydrophobicContact CG-CG 4.35Å; E469-R475 PolarHBondContact O-NH2 3.36Å; E469-K478 HydrophobicContact CG-CD 3.93Å; E469-K478 WeakPolarHBondContact OE1-CD 3.32Å; E469-K478 IonicContact OE1-NZ 3.18Å; E469-K478 PolarHBondContact OE1-NZ 2.73Å
470	N	80.3	Confident	92.6	Very high	142 Å²	142	51.7 Å²	51.7	76%	0.759	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-30.1	167.8	61.5	-8.3	0	0	0	111.3	K468	K468-N470 PolarHBondContact O-N 3.48Å; K468-N470 PolarHBondContact O-OD1 3.39Å; K468-N470 VanDerWaalsContact O-OD1 3.06Å
471	S	88.5	Confident	92.6	Very high	20 Å²	20	50.1 Å²	50.1	14%	0.14	24%	0.243	C	C	.	.	S	Bend	trans	-82.6	129.2	171	178.6	0	0	0	0	111.3	E469 A473 V474 R475	E469-S471 VanDerWaalsContact C-N 3.34Å; S471-A473 VanDerWaalsContact C-N 3.3Å; S471-A473 PolarHBondContact O-N 2.74Å; S471-A473 PolarHBondContact OG-N 3.49Å; S471-V474 PolarHBondContact O-N 3.5Å; S471-R475 PolarHBondContact O-N 2.81Å
472	L	91.8	Very high	92.7	Very high	93 Å²	93	54.5 Å²	54.5	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-39.8	174.4	178.3	60	0	0	0	111.7	V474 R475 S476 I508	L472-V474 VanDerWaalsContact C-N 3.35Å; L472-V474 PolarHBondContact O-N 3.25Å; L472-R475 PolarHBondContact O-N 2.78Å; L472-S476 PolarHBondContact O-N 3.3Å; L472-S476 PolarHBondContact O-OG 3.36Å; L472-I508 HydrophobicContact CB-CG2 3.88Å; L472-I508 HydrophobicContact CD2-CG2 3.93Å; L472-I508 HydrophobicContact CG-CG2 3.81Å
473	A	92.6	Very high	92.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-38.1	178.9	0	0	0	0	0	112.3	W299 S471 L477 L505 I508 W509	W299-A473 HydrophobicContact CH2-CB 4.03Å; W299-A473 HydrophobicContact CZ2-CB 3.76Å; S471-A473 VanDerWaalsContact C-N 3.3Å; S471-A473 PolarHBondContact O-N 2.74Å; S471-A473 PolarHBondContact OG-N 3.49Å; A473-L477 VanDerWaalsContact O-CB 3.23Å; A473-L477 WeakPolarHBondContact O-CB 3.36Å; A473-L477 PolarHBondContact O-N 3.1Å; A473-L505 WeakPolarHBondContact O-CD2 3.46Å; A473-I508 HydrophobicContact CB-CB 4.24Å; A473-I508 HydrophobicContact CB-CG2 3.79Å; A473-W509 HydrophobicContact CB-CB 4.39Å; A473-W509 HydrophobicContact CB-CE3 3.85Å
474	V	94.4	Very high	93	Very high	6 Å²	6	49.1 Å²	49.1	4%	0.036	24%	0.242	C	C	.	.	H	α-helix	trans	-68.9	-37.3	177.9	-179.6	0	0	0	0	111	W299 L424 W467 S471 L472 K478 W509	W299-V474 HydrophobicContact CZ3-CG2 4.32Å; L424-V474 HydrophobicContact CD2-CB 4.48Å; L424-V474 HydrophobicContact CD2-CG1 4.06Å; L424-V474 HydrophobicContact CD2-CG2 3.63Å; W467-V474 HydrophobicContact CB-CG1 4.08Å; S471-V474 PolarHBondContact O-N 3.5Å; L472-V474 VanDerWaalsContact C-N 3.35Å; L472-V474 PolarHBondContact O-N 3.25Å; V474-K478 PolarHBondContact O-N 3.48Å; V474-W509 HydrophobicContact CG2-CZ3 4.17Å
475	R	95.1	Very high	93.2	Very high	81 Å²	81	48.2 Å²	48.2	31%	0.306	24%	0.235	S	C	.	.	H	α-helix	trans	-67.8	-49	174.1	-159.9	-171.6	-49.9	98.7	10.5	111.9	E469 S471 L472 L477 K478 E479	E469-R475 HydrophobicContact CG-CB 4.46Å; E469-R475 HydrophobicContact CG-CG 4.35Å; E469-R475 PolarHBondContact O-NH2 3.36Å; S471-R475 PolarHBondContact O-N 2.81Å; L472-R475 PolarHBondContact O-N 2.78Å; R475-L477 PolarHBondContact O-N 3.04Å; R475-K478 WeakPolarHBondContact O-CB 3.11Å; R475-K478 PolarHBondContact O-N 3.28Å; R475-E479 VanDerWaalsContact CD-OE1 3.28Å; R475-E479 WeakPolarHBondContact CD-OE1 3.36Å; R475-E479 HydrophobicContact CG-CG 4.36Å; R475-E479 WeakPolarHBondContact CG-OE1 3.37Å; R475-E479 WeakPolarHBondContact O-CB 3.28Å; R475-E479 VanDerWaalsContact O-CG 3.28Å; R475-E479 WeakPolarHBondContact O-CG 3.39Å; R475-E479 PolarHBondContact O-N 3.36Å
476	S	96	Very high	93.6	Very high	25 Å²	25	42.8 Å²	42.8	18%	0.175	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-22.2	178.6	-61.8	0	0	0	0	113.4	L472 E479 T480	L472-S476 PolarHBondContact O-N 3.3Å; L472-S476 PolarHBondContact O-OG 3.36Å; S476-E479 VanDerWaalsContact CA-OE2 3.32Å; S476-E479 WeakPolarHBondContact CA-OE2 3.36Å; S476-E479 PolarHBondContact OG-OE2 3.32Å; S476-T480 VanDerWaalsContact O-CB 3.27Å; S476-T480 WeakPolarHBondContact O-CB 3.35Å; S476-T480 PolarHBondContact O-N 3.14Å; S476-T480 VanDerWaalsContact O-N 3.11Å; S476-T480 PolarHBondContact O-OG1 2.67Å
477	L	97.3	Very high	93.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.1	-51.6	166.1	175.3	64.1	0	0	0	111.4	W299 F418 L424 W467 A473 R475 T480 M481 L505	W299-L477 HydrophobicContact CH2-CB 4.08Å; W299-L477 HydrophobicContact CH2-CD2 3.77Å; W299-L477 HydrophobicContact CH2-CG 4.49Å; W299-L477 HydrophobicContact CZ3-CD2 3.74Å; F418-L477 HydrophobicContact CB-CD2 4.15Å; F418-L477 HydrophobicContact CD1-CD2 3.52Å; F418-L477 HydrophobicContact CD2-CD1 3.73Å; F418-L477 HydrophobicContact CD2-CD2 4.01Å; F418-L477 HydrophobicContact CD2-CG 4.47Å; F418-L477 HydrophobicContact CE1-CD1 4.37Å; F418-L477 HydrophobicContact CE1-CD2 3.81Å; F418-L477 HydrophobicContact CE2-CD1 3.55Å; F418-L477 HydrophobicContact CE2-CD2 4.28Å; F418-L477 HydrophobicContact CG-CD1 4.24Å; F418-L477 HydrophobicContact CG-CD2 3.62Å; F418-L477 HydrophobicContact CZ-CD1 3.89Å; F418-L477 HydrophobicContact CZ-CD2 4.19Å; L424-L477 HydrophobicContact CD1-CD2 4.17Å; W467-L477 HydrophobicContact CZ3-CD2 4.5Å; A473-L477 VanDerWaalsContact O-CB 3.23Å; A473-L477 WeakPolarHBondContact O-CB 3.36Å; A473-L477 PolarHBondContact O-N 3.1Å; R475-L477 PolarHBondContact O-N 3.04Å; L477-T480 PolarHBondContact O-N 3.13Å; L477-T480 VanDerWaalsContact O-N 3.08Å; L477-M481 HydrophobicContact CD1-CE 3.65Å; L477-M481 HydrophobicContact CD2-CE 4.1Å; L477-M481 HydrophobicContact CG-CE 3.78Å; L477-M481 WeakPolarHBondContact O-CG 3.08Å; L477-M481 PolarHBondContact O-N 3.11Å; L477-L505 HydrophobicContact CB-CD1 3.97Å; L477-L505 HydrophobicContact CB-CD2 4.39Å; L477-L505 HydrophobicContact CD1-CD1 3.79Å; L477-L505 HydrophobicContact CG-CD1 4.47Å
478	K	97.7	Very high	94.2	Very high	19 Å²	19	48.8 Å²	48.8	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-54.7	-53	174.6	-76.7	174.6	157.6	176.4	0	111.4	F463 W467 E469 V474 R475 T480 M481 E482	F463-K478 HydrophobicContact CD1-CG 4.25Å; F463-K478 HydrophobicContact CD2-CD 4.08Å; F463-K478 HydrophobicContact CD2-CG 3.92Å; F463-K478 HydrophobicContact CE1-CG 4.18Å; F463-K478 HydrophobicContact CE2-CB 4.06Å; F463-K478 HydrophobicContact CE2-CD 4.39Å; F463-K478 HydrophobicContact CE2-CG 3.84Å; F463-K478 HydrophobicContact CG-CD 4.37Å; F463-K478 HydrophobicContact CG-CG 4.13Å; F463-K478 HydrophobicContact CZ-CB 4.16Å; F463-K478 HydrophobicContact CZ-CG 3.98Å; W467-K478 HydrophobicContact CE3-CG 4.39Å; W467-K478 PolarHBondContact O-NZ 2.73Å; E469-K478 HydrophobicContact CG-CD 3.93Å; E469-K478 WeakPolarHBondContact OE1-CD 3.32Å; E469-K478 IonicContact OE1-NZ 3.18Å; E469-K478 PolarHBondContact OE1-NZ 2.73Å; V474-K478 PolarHBondContact O-N 3.48Å; R475-K478 WeakPolarHBondContact O-CB 3.11Å; R475-K478 PolarHBondContact O-N 3.28Å; K478-T480 PolarHBondContact O-N 2.84Å; K478-T480 VanDerWaalsContact O-N 3.14Å; K478-M481 PolarHBondContact O-N 2.8Å; K478-E482 WeakPolarHBondContact O-CB 3.44Å; K478-E482 WeakPolarHBondContact O-CG 3.49Å; K478-E482 PolarHBondContact O-N 2.68Å
479	E	97.7	Very high	94.9	Very high	75 Å²	75	45 Å²	45	35%	0.35	23%	0.229	S	C	.	.	H	α-helix	trans	-54.5	-32.5	175.7	-67.8	163.4	174.6	0	0	112.2	R475 S476 D483 R501	R475-E479 VanDerWaalsContact CD-OE1 3.28Å; R475-E479 WeakPolarHBondContact CD-OE1 3.36Å; R475-E479 HydrophobicContact CG-CG 4.36Å; R475-E479 WeakPolarHBondContact CG-OE1 3.37Å; R475-E479 WeakPolarHBondContact O-CB 3.28Å; R475-E479 VanDerWaalsContact O-CG 3.28Å; R475-E479 WeakPolarHBondContact O-CG 3.39Å; R475-E479 PolarHBondContact O-N 3.36Å; S476-E479 VanDerWaalsContact CA-OE2 3.32Å; S476-E479 WeakPolarHBondContact CA-OE2 3.36Å; S476-E479 PolarHBondContact OG-OE2 3.32Å; E479-D483 VanDerWaalsContact O-CB 3.28Å; E479-D483 WeakPolarHBondContact O-CB 3.04Å; E479-D483 PolarHBondContact O-N 3.41Å; E479-R501 PolarHBondContact O-NH1 3.04Å
480	T	98.4	Very high	95.7	Very high	1 Å²	1	48 Å²	48	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-80.5	-32.4	177.5	-59.6	0	0	0	0	113.1	Y414 S476 L477 K478 C484 L493 R501	Y414-T480 HydrophobicContact CE2-CG2 4.16Å; S476-T480 VanDerWaalsContact O-CB 3.27Å; S476-T480 WeakPolarHBondContact O-CB 3.35Å; S476-T480 PolarHBondContact O-N 3.14Å; S476-T480 VanDerWaalsContact O-N 3.11Å; S476-T480 PolarHBondContact O-OG1 2.67Å; L477-T480 PolarHBondContact O-N 3.13Å; L477-T480 VanDerWaalsContact O-N 3.08Å; K478-T480 PolarHBondContact O-N 2.84Å; K478-T480 VanDerWaalsContact O-N 3.14Å; T480-C484 WeakPolarHBondContact O-CB 3.32Å; T480-C484 PolarHBondContact O-N 2.79Å; T480-C484 PolarHBondContact O-SG 3.13Å; T480-L493 HydrophobicContact CG2-CD1 4.05Å; T480-R501 HydrophobicContact CG2-CB 4.21Å; T480-R501 WeakPolarHBondContact OG1-CD 3.4Å; T480-R501 PolarHBondContact OG1-NH1 3.23Å
481	M	98.6	Very high	96.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.6	-43	169.8	-59.7	-165.5	-165.5	0	0	110.8	Y414 W415 F418 F463 W467 L477 K478 C484 W485	Y414-M481 HydrophobicContact CD2-CG 4.22Å; Y414-M481 WeakPolarHBondContact O-CE 3Å; W415-M481 HydrophobicContact CB-SD 3.84Å; F418-M481 HydrophobicContact CB-CE 3.9Å; F418-M481 HydrophobicContact CD2-CE 3.8Å; F418-M481 HydrophobicContact CG-CE 4.14Å; F463-M481 HydrophobicContact CE1-CB 4.41Å; F463-M481 HydrophobicContact CE1-SD 3.73Å; F463-M481 HydrophobicContact CZ-CB 4.17Å; F463-M481 HydrophobicContact CZ-SD 4.4Å; W467-M481 HydrophobicContact CH2-CE 3.89Å; W467-M481 HydrophobicContact CZ3-CE 3.82Å; W467-M481 HydrophobicContact CZ3-SD 4.34Å; L477-M481 HydrophobicContact CD1-CE 3.65Å; L477-M481 HydrophobicContact CD2-CE 4.1Å; L477-M481 HydrophobicContact CG-CE 3.78Å; L477-M481 WeakPolarHBondContact O-CG 3.08Å; L477-M481 PolarHBondContact O-N 3.11Å; K478-M481 PolarHBondContact O-N 2.8Å; M481-C484 WeakPolarHBondContact O-CB 3.48Å; M481-C484 PolarHBondContact O-N 3.46Å; M481-C484 VanDerWaalsContact O-N 3.08Å; M481-W485 HydrophobicContact CB-CE3 4.46Å; M481-W485 HydrophobicContact CB-CH2 4.17Å; M481-W485 HydrophobicContact CB-CZ2 4.25Å; M481-W485 HydrophobicContact CB-CZ3 4.27Å; M481-W485 VanDerWaalsContact O-CG 3.27Å; M481-W485 PolarHBondContact O-N 2.84Å; M481-W485 HydrophobicContact SD-CH2 4.38Å; M481-W485 HydrophobicContact SD-CZ3 4.5Å
482	E	98.6	Very high	97	Very high	94 Å²	94	43.2 Å²	43.2	44%	0.439	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-48.8	179.5	-70.4	176.9	142	0	0	112.2	F463 K478 C484 W485 D486	F463-E482 HydrophobicContact CE2-CG 4.07Å; F463-E482 HydrophobicContact CZ-CG 4.21Å; K478-E482 WeakPolarHBondContact O-CB 3.44Å; K478-E482 WeakPolarHBondContact O-CG 3.49Å; K478-E482 PolarHBondContact O-N 2.68Å; E482-C484 PolarHBondContact O-N 3.42Å; E482-W485 PolarHBondContact O-N 3.48Å; E482-D486 PolarHBondContact O-N 3.29Å; E482-D486 VanDerWaalsContact O-N 3.11Å
483	D	98.7	Very high	97.3	Very high	55 Å²	55	39.7 Å²	39.7	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-68.9	-11.5	173.4	-66.2	-21.2	0	0	0	112.9	E479 R492 L493 R501	E479-D483 VanDerWaalsContact O-CB 3.28Å; E479-D483 WeakPolarHBondContact O-CB 3.04Å; E479-D483 PolarHBondContact O-N 3.41Å; D483-R492 CarbonylContact O-C 3.6Å; D483-R492 WeakPolarHBondContact O-CA 3.18Å; D483-L493 HydrophobicContact CB-CD1 4.07Å; D483-L493 HydrophobicContact CB-CD2 3.75Å; D483-L493 HydrophobicContact CB-CG 3.61Å; D483-L493 PolarHBondContact O-N 2.8Å; D483-R501 IonicContact OD2-CZ 2.62Å; D483-R501 IonicContact OD2-NH1 2.7Å; D483-R501 PolarHBondContact OD2-NH1 3.34Å; D483-R501 IonicContact OD2-NH2 3.66Å; D483-R501 PolarHBondContact OD2-NH2 2.78Å
484	C	98.8	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-87.9	-37.8	170.8	-82.1	0	0	0	0	112.5	M407 Y408 T480 M481 E482 R492	M407-C484 CarbonylContact C-O 3.51Å; Y408-C484 WeakPolarHBondContact CA-O 3.45Å; Y408-C484 PolarHBondContact N-O 2.79Å; T480-C484 WeakPolarHBondContact O-CB 3.32Å; T480-C484 PolarHBondContact O-N 2.79Å; T480-C484 PolarHBondContact O-SG 3.13Å; M481-C484 WeakPolarHBondContact O-CB 3.48Å; M481-C484 PolarHBondContact O-N 3.46Å; M481-C484 VanDerWaalsContact O-N 3.08Å; E482-C484 PolarHBondContact O-N 3.42Å; C484-R492 VanDerWaalsContact O-CD 3.28Å; C484-R492 WeakPolarHBondContact O-CD 3.43Å; C484-R492 WeakPolarHBondContact O-CG 3.48Å
485	W	98.5	Very high	97.8	Very high	13 Å²	13	42.9 Å²	42.9	5%	0.049	22%	0.224	C	C	.	.	H	α-helix	trans	-103.1	17.1	-175.7	68.1	30.2	0	0	0	115.3	Y408 L412 W415 R460 P461 F463 M481 E482	Y408-W485 HydrophobicContact CD2-CB 3.89Å; Y408-W485 HydrophobicContact CE2-CB 3.97Å; L412-W485 HydrophobicContact CD2-CE3 3.82Å; L412-W485 HydrophobicContact CD2-CZ3 4.24Å; W415-W485 HydrophobicContact CB-CH2 4.22Å; W415-W485 HydrophobicContact CB-CZ3 3.83Å; W415-W485 HydrophobicContact CG-CH2 4.38Å; W415-W485 HydrophobicContact CG-CZ3 4.35Å; R460-W485 HydrophobicContact CB-CD2 4.32Å; R460-W485 HydrophobicContact CB-CZ2 4Å; R460-W485 HydrophobicContact CG-CD2 4.31Å; R460-W485 HydrophobicContact CG-CG 4.19Å; R460-W485 PolarHBondContact NE-O 3.48Å; R460-W485 PolarHBondContact NH2-O 2.9Å; P461-W485 HydrophobicContact CG-CZ3 4.2Å; F463-W485 AromaticContact CE1-CH2 3.86Å; F463-W485 HydrophobicContact CE1-CH2 3.86Å; F463-W485 HydrophobicContact CE1-CZ2 4.04Å; F463-W485 HydrophobicContact CE2-CZ2 4.24Å; F463-W485 AromaticContact CZ-CH2 3.88Å; F463-W485 HydrophobicContact CZ-CH2 3.88Å; F463-W485 AromaticContact CZ-CZ2 3.56Å; F463-W485 HydrophobicContact CZ-CZ2 3.56Å; M481-W485 HydrophobicContact CB-CE3 4.46Å; M481-W485 HydrophobicContact CB-CH2 4.17Å; M481-W485 HydrophobicContact CB-CZ2 4.25Å; M481-W485 HydrophobicContact CB-CZ3 4.27Å; M481-W485 VanDerWaalsContact O-CG 3.27Å; M481-W485 PolarHBondContact O-N 2.84Å; M481-W485 HydrophobicContact SD-CH2 4.38Å; M481-W485 HydrophobicContact SD-CZ3 4.5Å; E482-W485 PolarHBondContact O-N 3.48Å
486	D	98.7	Very high	97.9	Very high	63 Å²	63	42.7 Å²	42.7	34%	0.337	23%	0.226	S	C	.	.			trans	-50.5	146.5	179.1	-160.7	-50.7	0	0	0	111.3	E482 D488 A491 R492	E482-D486 PolarHBondContact O-N 3.29Å; E482-D486 VanDerWaalsContact O-N 3.11Å; D486-D488 PolarHBondContact O-N 3.39Å; D486-D488 PolarHBondContact OD1-N 3.07Å; D486-A491 HydrophobicContact CB-CB 4.36Å; D486-R492 HydrophobicContact CB-CG 4.14Å; D486-R492 PolarHBondContact O-NE 3.39Å; D486-R492 PolarHBondContact O-NH2 3.15Å
487	Q	97.6	Very high	98	Very high	42 Å²	42	44 Å²	44	20%	0.196	24%	0.235	C	C	.	.	S	Bend	trans	-60.1	-36.9	173.6	-167.4	71.4	12.8	0	0	111.7	P386 V454 S455 K458	P386-Q487 VanDerWaalsContact CB-NE2 3.32Å; V454-Q487 PolarHBondContact O-OE1 2.76Å; S455-Q487 PolarHBondContact O-NE2 2.65Å; K458-Q487 HydrophobicContact CD-CG 3.98Å; K458-Q487 HydrophobicContact CG-CG 4.5Å
488	D	97.3	Very high	98.1	Very high	92 Å²	92	44 Å²	44	49%	0.492	24%	0.235	S	C	.	.	S	Bend	trans	-85.8	113.9	177.5	-172.6	-14	0	0	0	110.5	D486 E490 A491 R492	D486-D488 PolarHBondContact O-N 3.39Å; D486-D488 PolarHBondContact OD1-N 3.07Å; D488-E490 PolarHBondContact O-N 2.84Å; D488-E490 PolarHBondContact OD1-N 3.38Å; D488-A491 HydrophobicContact CB-CB 3.91Å; D488-A491 WeakPolarHBondContact O-CB 3.48Å; D488-A491 PolarHBondContact O-N 2.94Å; D488-A491 VanDerWaalsContact O-N 3.07Å; D488-R492 PolarHBondContact O-N 2.85Å
489	A	96.8	Very high	98.1	Very high	22 Å²	22	44.7 Å²	44.7	18%	0.182	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.1	178.6	0	0	0	0	0	113.3	Q404 A491	Q404-A489 HydrophobicContact CB-CB 4.12Å; Q404-A489 VanDerWaalsContact CD-O 3.26Å; Q404-A489 WeakPolarHBondContact CG-O 3.16Å; Q404-A489 PolarHBondContact NE2-O 3.47Å; A489-A491 VanDerWaalsContact C-N 3.33Å
490	E	95.6	Very high	98.1	Very high	166 Å²	166	46.7 Å²	46.7	78%	0.776	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.5	175.2	-67.1	-171	-166	0	0	112.7	D488	D488-E490 PolarHBondContact O-N 2.84Å; D488-E490 PolarHBondContact OD1-N 3.38Å
491	A	97.8	Very high	98	Very high	51 Å²	51	49.4 Å²	49.4	42%	0.421	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-21.6	175.8	0	0	0	0	0	113.5	D486 D488 A489	D486-A491 HydrophobicContact CB-CB 4.36Å; D488-A491 HydrophobicContact CB-CB 3.91Å; D488-A491 WeakPolarHBondContact O-CB 3.48Å; D488-A491 PolarHBondContact O-N 2.94Å; D488-A491 VanDerWaalsContact O-N 3.07Å; A489-A491 VanDerWaalsContact C-N 3.33Å
492	R	98.6	Very high	97.9	Very high	9 Å²	9	49.4 Å²	49.4	3%	0.034	26%	0.258	C	S	.	.	S	Bend	trans	-65	145.9	-173.3	-66.4	176.1	-161.1	142.4	16.8	113.3	E387 Q404 D483 C484 D486 D488	E387-R492 IonicContact OE1-CZ 3.22Å; E387-R492 IonicContact OE1-NH1 2.83Å; E387-R492 PolarHBondContact OE1-NH1 3.42Å; E387-R492 IonicContact OE1-NH2 3.73Å; E387-R492 IonicContact OE2-CZ 3.42Å; E387-R492 IonicContact OE2-NH1 3.71Å; E387-R492 PolarHBondContact OE2-NH1 2.7Å; E387-R492 IonicContact OE2-NH2 2.64Å; E387-R492 PolarHBondContact OE2-NH2 3.35Å; Q404-R492 PolarHBondContact NE2-O 3.07Å; Q404-R492 WeakPolarHBondContact O-CD 3.42Å; Q404-R492 PolarHBondContact O-NH1 3.11Å; D483-R492 CarbonylContact O-C 3.6Å; D483-R492 WeakPolarHBondContact O-CA 3.18Å; C484-R492 VanDerWaalsContact O-CD 3.28Å; C484-R492 WeakPolarHBondContact O-CD 3.43Å; C484-R492 WeakPolarHBondContact O-CG 3.48Å; D486-R492 HydrophobicContact CB-CG 4.14Å; D486-R492 PolarHBondContact O-NE 3.39Å; D486-R492 PolarHBondContact O-NH2 3.15Å; D488-R492 PolarHBondContact O-N 2.85Å
493	L	98.6	Very high	97.6	Very high	20 Å²	20	46.8 Å²	46.8	11%	0.105	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-57.6	145.3	172.1	-58.9	-173.6	0	0	0	111.4	Q404 M407 T480 D483 C497 A498	Q404-L493 PolarHBondContact OE1-O 3.48Å; M407-L493 HydrophobicContact CE-CB 4.37Å; M407-L493 WeakPolarHBondContact CE-O 3.49Å; M407-L493 VanDerWaalsContact CG-O 3.28Å; M407-L493 WeakPolarHBondContact CG-O 3.27Å; T480-L493 HydrophobicContact CG2-CD1 4.05Å; D483-L493 HydrophobicContact CB-CD1 4.07Å; D483-L493 HydrophobicContact CB-CD2 3.75Å; D483-L493 HydrophobicContact CB-CG 3.61Å; D483-L493 PolarHBondContact O-N 2.8Å; L493-C497 HydrophobicContact CB-CB 4.47Å; L493-A498 HydrophobicContact CB-CB 4.44Å; L493-A498 HydrophobicContact CD1-CB 4.19Å
494	T	98.6	Very high	97.3	Very high	71 Å²	71	49.9 Å²	49.9	44%	0.436	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-74.3	155.4	160.5	76	0	0	0	0	110.2	Q496 C497 A498	T494-Q496 PolarHBondContact O-N 2.82Å; T494-C497 PolarHBondContact O-N 3Å; T494-C497 VanDerWaalsContact O-N 3.07Å; T494-C497 PolarHBondContact OG1-N 2.82Å; T494-C497 PolarHBondContact OG1-SG 3.08Å; T494-A498 PolarHBondContact O-N 2.88Å
495	A	98.6	Very high	97	Very high	2 Å²	2	50 Å²	50	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-55	-35.3	176.6	0	0	0	0	0	112.9	T310 L313 A314 M407 A498 E499	T310-A495 WeakPolarHBondContact CG2-O 3.2Å; L313-A495 HydrophobicContact CB-CB 4.44Å; L313-A495 HydrophobicContact CD2-CB 4.3Å; L313-A495 HydrophobicContact CG-CB 4.3Å; A314-A495 HydrophobicContact CB-CB 3.88Å; M407-A495 WeakPolarHBondContact SD-CA 3.32Å; M407-A495 HydrophobicContact SD-CB 3.6Å; M407-A495 PolarHBondContact SD-N 2.78Å; A495-A498 PolarHBondContact O-N 2.79Å; A495-E499 PolarHBondContact O-N 2.73Å
496	Q	98.1	Very high	96.4	Very high	77 Å²	77	51.8 Å²	51.8	36%	0.36	28%	0.276	S	S	.	.	H	α-helix	trans	-67.4	-44	176.6	-169.5	61	70.5	0	0	112.3	T494 A498 E499 E500	T494-Q496 PolarHBondContact O-N 2.82Å; Q496-A498 VanDerWaalsContact C-N 3.25Å; Q496-A498 PolarHBondContact O-N 3.44Å; Q496-E499 PolarHBondContact NE2-OE2 3.11Å; Q496-E499 PolarHBondContact O-N 3.48Å; Q496-E500 WeakPolarHBondContact O-CG 3.41Å; Q496-E500 PolarHBondContact O-N 2.03Å; Q496-E500 VanDerWaalsContact O-N 3.11Å
497	C	98.3	Very high	95.9	Very high	52 Å²	52	54.3 Å²	54.3	35%	0.351	29%	0.289	S	S	.	.	H	α-helix	trans	-64.7	-32.7	175.2	-60.7	0	0	0	0	111.8	L493 T494 R501	L493-C497 HydrophobicContact CB-CB 4.47Å; T494-C497 PolarHBondContact O-N 3Å; T494-C497 VanDerWaalsContact O-N 3.07Å; T494-C497 PolarHBondContact OG1-N 2.82Å; T494-C497 PolarHBondContact OG1-SG 3.08Å; C497-R501 WeakPolarHBondContact O-CG 3.5Å; C497-R501 PolarHBondContact O-N 2.68Å
498	A	98.5	Very high	95.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-72.8	-37.1	176.2	0	0	0	0	0	112	T310 M407 L493 T494 A495 Q496 R501 L502	T310-A498 HydrophobicContact CG2-CB 3.76Å; M407-A498 HydrophobicContact CE-CB 3.83Å; L493-A498 HydrophobicContact CB-CB 4.44Å; L493-A498 HydrophobicContact CD1-CB 4.19Å; T494-A498 PolarHBondContact O-N 2.88Å; A495-A498 PolarHBondContact O-N 2.79Å; Q496-A498 VanDerWaalsContact C-N 3.25Å; Q496-A498 PolarHBondContact O-N 3.44Å; A498-R501 PolarHBondContact O-N 2.72Å; A498-L502 WeakPolarHBondContact O-CG 3.49Å; A498-L502 PolarHBondContact O-N 2.04Å
499	E	97.8	Very high	94.9	Very high	33 Å²	33	50.4 Å²	50.4	15%	0.154	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-49.6	171.9	-173.6	-172.4	-159	0	0	110.5	H307 T310 R311 A495 Q496 R501 L502 A503	H307-E499 IonicContact CE1-OE1 2.77Å; H307-E499 PolarHBondContact CE1-OE1 3.38Å; T310-E499 HydrophobicContact CG2-CB 4.08Å; T310-E499 VanDerWaalsContact CG2-N 3.33Å; R311-E499 HydrophobicContact CB-CG 4.4Å; R311-E499 WeakPolarHBondContact CB-OE1 3.45Å; R311-E499 WeakPolarHBondContact CD-OE1 3.28Å; R311-E499 WeakPolarHBondContact CG-OE1 3.36Å; A495-E499 PolarHBondContact O-N 2.73Å; Q496-E499 PolarHBondContact NE2-OE2 3.11Å; Q496-E499 PolarHBondContact O-N 3.48Å; E499-R501 VanDerWaalsContact C-N 3.35Å; E499-R501 PolarHBondContact O-N 3.46Å; E499-L502 PolarHBondContact O-N 3.4Å; E499-L502 VanDerWaalsContact O-N 3.15Å; E499-A503 PolarHBondContact O-N 3.01Å
500	E	96.8	Very high	94.1	Very high	117 Å²	117	54.2 Å²	54.2	55%	0.547	29%	0.285	S	S	.	.	H	α-helix	trans	-55.4	-46.8	178.7	-71.4	172.9	172.7	0	0	111.8	Q496 A503 E504	Q496-E500 WeakPolarHBondContact O-CG 3.41Å; Q496-E500 PolarHBondContact O-N 2.03Å; Q496-E500 VanDerWaalsContact O-N 3.11Å; E500-A503 PolarHBondContact O-N 2.73Å; E500-E504 PolarHBondContact O-N 2.69Å; E500-E504 VanDerWaalsContact O-N 3.1Å
501	R	97.4	Very high	93.2	Very high	59 Å²	59	55.4 Å²	55.4	22%	0.223	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-42.6	176.3	-72.1	-167.1	-173.7	-175.7	3.2	113.1	E479 T480 D483 C497 A498 E499 A503 E504 L505	E479-R501 PolarHBondContact O-NH1 3.04Å; T480-R501 HydrophobicContact CG2-CB 4.21Å; T480-R501 WeakPolarHBondContact OG1-CD 3.4Å; T480-R501 PolarHBondContact OG1-NH1 3.23Å; D483-R501 IonicContact OD2-CZ 2.62Å; D483-R501 IonicContact OD2-NH1 2.7Å; D483-R501 PolarHBondContact OD2-NH1 3.34Å; D483-R501 IonicContact OD2-NH2 3.66Å; D483-R501 PolarHBondContact OD2-NH2 2.78Å; C497-R501 WeakPolarHBondContact O-CG 3.5Å; C497-R501 PolarHBondContact O-N 2.68Å; A498-R501 PolarHBondContact O-N 2.72Å; E499-R501 VanDerWaalsContact C-N 3.35Å; E499-R501 PolarHBondContact O-N 3.46Å; R501-A503 VanDerWaalsContact C-N 3.3Å; R501-A503 PolarHBondContact O-N 3.27Å; R501-E504 PolarHBondContact O-N 2.81Å; R501-L505 WeakPolarHBondContact O-CG 3.45Å; R501-L505 PolarHBondContact O-N 3.33Å
502	L	95.5	Very high	91.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.8	-31.8	178.6	-69.6	-175.6	0	0	0	112.6	A306 H307 T310 Y414 A498 E499 L505	A306-L502 HydrophobicContact CB-CD1 3.84Å; A306-L502 HydrophobicContact CB-CD2 4.43Å; H307-L502 HydrophobicContact CB-CB 4.21Å; H307-L502 HydrophobicContact CB-CD1 4.44Å; T310-L502 HydrophobicContact CG2-CD1 4.45Å; T310-L502 WeakPolarHBondContact OG1-CD1 3.15Å; Y414-L502 HydrophobicContact CE1-CD1 3.71Å; Y414-L502 WeakPolarHBondContact OH-CD1 3.38Å; A498-L502 WeakPolarHBondContact O-CG 3.49Å; A498-L502 PolarHBondContact O-N 2.04Å; E499-L502 PolarHBondContact O-N 3.4Å; E499-L502 VanDerWaalsContact O-N 3.15Å; L502-L505 HydrophobicContact CD2-CD1 3.73Å; L502-L505 PolarHBondContact O-N 3.09Å
503	A	93.4	Very high	90	Very high	39 Å²	39	60.5 Å²	60.5	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-41.3	171	0	0	0	0	0	111.6	E499 E500 R501	E499-A503 PolarHBondContact O-N 3.01Å; E500-A503 PolarHBondContact O-N 2.73Å; R501-A503 VanDerWaalsContact C-N 3.3Å; R501-A503 PolarHBondContact O-N 3.27Å
504	E	92.8	Very high	87.6	Confident	120 Å²	120	63.9 Å²	63.9	56%	0.561	33%	0.326	S	S	*	.	H	α-helix	trans	-66.6	-33.9	175.3	-70.6	-167	159.4	0	0	113.3	E500 R501 L506 L507 I508	E500-E504 PolarHBondContact O-N 2.69Å; E500-E504 VanDerWaalsContact O-N 3.1Å; R501-E504 PolarHBondContact O-N 2.81Å; E504-L506 VanDerWaalsContact C-N 3.28Å; E504-L506 PolarHBondContact O-N 2.82Å; E504-L507 WeakPolarHBondContact O-CB 3.29Å; E504-L507 PolarHBondContact O-N 3.46Å; E504-I508 HydrophobicContact CB-CD1 4.4Å; E504-I508 WeakPolarHBondContact O-CG1 3.43Å; E504-I508 PolarHBondContact O-N 3.43Å
505	L	91.9	Very high	85.1	Confident	2 Å²	2	65 Å²	65	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-55.5	-39.1	179.3	-76.6	-171.7	0	0	0	113.6	W299 A473 L477 R501 L502 I508 W509	W299-L505 HydrophobicContact CZ2-CB 4.19Å; W299-L505 HydrophobicContact CZ2-CD1 4.37Å; A473-L505 WeakPolarHBondContact O-CD2 3.46Å; L477-L505 HydrophobicContact CB-CD1 3.97Å; L477-L505 HydrophobicContact CB-CD2 4.39Å; L477-L505 HydrophobicContact CD1-CD1 3.79Å; L477-L505 HydrophobicContact CG-CD1 4.47Å; R501-L505 WeakPolarHBondContact O-CG 3.45Å; R501-L505 PolarHBondContact O-N 3.33Å; L502-L505 HydrophobicContact CD2-CD1 3.73Å; L502-L505 PolarHBondContact O-N 3.09Å; L505-I508 PolarHBondContact O-N 2.79Å; L505-W509 WeakPolarHBondContact O-CB 3.46Å; L505-W509 PolarHBondContact O-N 3.15Å
506	L	86.5	Confident	82.1	Confident	51 Å²	51	69.2 Å²	69.2	27%	0.267	36%	0.362	S	S	.	.	H	α-helix	trans	-62.3	-46.3	175	-73.4	168.4	0	0	0	111.3	V300 C303 E504 I508 W509 D510	V300-L506 HydrophobicContact CG1-CD2 4.36Å; C303-L506 HydrophobicContact CB-CD1 4.39Å; C303-L506 HydrophobicContact CB-CD2 3.51Å; C303-L506 HydrophobicContact CB-CG 3.84Å; E504-L506 VanDerWaalsContact C-N 3.28Å; E504-L506 PolarHBondContact O-N 2.82Å; L506-I508 VanDerWaalsContact C-N 3.34Å; L506-I508 PolarHBondContact O-N 3.47Å; L506-W509 PolarHBondContact O-N 2.81Å; L506-D510 PolarHBondContact O-N 3.38Å; L506-D510 VanDerWaalsContact O-N 3.13Å
507	L	87.9	Confident	79.5	Confident	116 Å²	116	71.8 Å²	71.8	61%	0.607	39%	0.386	S	S	*	.	H	α-helix	trans	-67.1	-32.4	-179.6	-57.9	176.5	0	0	0	112.9	E504 R511	E504-L507 WeakPolarHBondContact O-CB 3.29Å; E504-L507 PolarHBondContact O-N 3.46Å; L507-R511 WeakPolarHBondContact O-CD 3.33Å; L507-R511 VanDerWaalsContact O-CG 3.28Å; L507-R511 WeakPolarHBondContact O-CG 3.28Å
508	I	88.2	Confident	77	Confident	33 Å²	33	75 Å²	75	17%	0.169	40%	0.403	C	S	.	.	H	α-helix	trans	-72.5	-38.8	175.2	-62.6	164.3	0	0	0	110.4	L472 A473 E504 L505 L506 R511 S512	L472-I508 HydrophobicContact CB-CG2 3.88Å; L472-I508 HydrophobicContact CD2-CG2 3.93Å; L472-I508 HydrophobicContact CG-CG2 3.81Å; A473-I508 HydrophobicContact CB-CB 4.24Å; A473-I508 HydrophobicContact CB-CG2 3.79Å; E504-I508 HydrophobicContact CB-CD1 4.4Å; E504-I508 WeakPolarHBondContact O-CG1 3.43Å; E504-I508 PolarHBondContact O-N 3.43Å; L505-I508 PolarHBondContact O-N 2.79Å; L506-I508 VanDerWaalsContact C-N 3.34Å; L506-I508 PolarHBondContact O-N 3.47Å; I508-R511 PolarHBondContact O-N 3.09Å; I508-S512 PolarHBondContact O-N 3.17Å
509	W	84.3	Confident	74.2	Confident	19 Å²	19	82.2 Å²	82.2	7%	0.072	44%	0.442	C	S	.	.	H	α-helix	trans	-68.1	-45.4	-178.3	-173.9	-102.2	0	0	0	113.4	W299 D423 A473 V474 L505 L506 R511 S512 K513	W299-W509 HydrophobicContact CB-CD2 4.16Å; W299-W509 HydrophobicContact CB-CH2 4.44Å; W299-W509 HydrophobicContact CB-CZ2 3.74Å; W299-W509 AromaticContact CD1-CD1 3.28Å; W299-W509 AromaticContact CD1-CD2 3.52Å; W299-W509 AromaticContact CD1-CE2 3.74Å; W299-W509 AromaticContact CD1-CG 3.24Å; W299-W509 AromaticContact CD1-NE1 3.51Å; W299-W509 AromaticContact CD2-CD2 3.6Å; W299-W509 HydrophobicContact CD2-CD2 3.6Å; W299-W509 AromaticContact CD2-CE2 3.91Å; W299-W509 AromaticContact CD2-CE3 3.57Å; W299-W509 HydrophobicContact CD2-CE3 3.57Å; W299-W509 HydrophobicContact CD2-CG 4.12Å; W299-W509 HydrophobicContact CD2-CH2 4.23Å; W299-W509 HydrophobicContact CD2-CZ2 4.23Å; W299-W509 AromaticContact CD2-CZ3 3.89Å; W299-W509 HydrophobicContact CD2-CZ3 3.89Å; W299-W509 AromaticContact CE2-CD2 3.72Å; W299-W509 AromaticContact CE2-CE3 3.64Å; W299-W509 AromaticContact CE2-CG 3.88Å; W299-W509 HydrophobicContact CE3-CD2 4.32Å; W299-W509 AromaticContact CE3-CE3 3.88Å; W299-W509 HydrophobicContact CE3-CE3 3.88Å; W299-W509 HydrophobicContact CE3-CH2 4.07Å; W299-W509 HydrophobicContact CE3-CZ2 4.46Å; W299-W509 AromaticContact CE3-CZ3 3.74Å; W299-W509 HydrophobicContact CE3-CZ3 3.74Å; W299-W509 AromaticContact CG-CD1 3.79Å; W299-W509 AromaticContact CG-CD2 3.48Å; W299-W509 HydrophobicContact CG-CD2 3.48Å; W299-W509 VanDerWaalsContact CG-CD2 3.48Å; W299-W509 AromaticContact CG-CE2 3.42Å; W299-W509 VanDerWaalsContact CG-CE2 3.42Å; W299-W509 AromaticContact CG-CE3 3.98Å; W299-W509 HydrophobicContact CG-CE3 3.98Å; W299-W509 AromaticContact CG-CG 3.75Å; W299-W509 HydrophobicContact CG-CG 3.75Å; W299-W509 HydrophobicContact CG-CH2 4.4Å; W299-W509 AromaticContact CG-CZ2 3.93Å; W299-W509 HydrophobicContact CG-CZ2 3.93Å; W299-W509 HydrophobicContact CG-CZ3 4.41Å; W299-W509 AromaticContact CG-NE1 3.53Å; W299-W509 HydrophobicContact CH2-CE3 4.31Å; W299-W509 HydrophobicContact CZ2-CD2 4.49Å; W299-W509 HydrophobicContact CZ2-CE3 4.03Å; W299-W509 HydrophobicContact CZ3-CE3 4.24Å; W299-W509 HydrophobicContact CZ3-CZ3 4.09Å; W299-W509 VanDerWaalsContact NE1-CB 3.33Å; W299-W509 AromaticContact NE1-CD1 3.83Å; W299-W509 AromaticContact NE1-CD2 3.64Å; W299-W509 AromaticContact NE1-CG 3.31Å; W299-W509 VanDerWaalsContact NE1-CG 3.31Å; D423-W509 HydrophobicContact CB-CH2 3.93Å; D423-W509 HydrophobicContact CB-CZ2 3.63Å; A473-W509 HydrophobicContact CB-CB 4.39Å; A473-W509 HydrophobicContact CB-CE3 3.85Å; V474-W509 HydrophobicContact CG2-CZ3 4.17Å; L505-W509 WeakPolarHBondContact O-CB 3.46Å; L505-W509 PolarHBondContact O-N 3.15Å; L506-W509 PolarHBondContact O-N 2.81Å; W509-R511 VanDerWaalsContact C-N 3.25Å; W509-R511 PolarHBondContact O-N 2.92Å; W509-S512 PolarHBondContact O-N 2.81Å; W509-S512 PolarHBondContact O-OG 2.7Å; W509-K513 VanDerWaalsContact CE2-CE 3.5Å; W509-K513 VanDerWaalsContact CZ2-CE 3.44Å; W509-K513 VanDerWaalsContact NE1-CE 3.27Å; W509-K513 PolarHBondContact O-N 3.45Å
510	D	80.1	Confident	71.2	Confident	102 Å²	102	87.8 Å²	87.8	55%	0.545	47%	0.472	S	S	.	.	H	α-helix	trans	-61.2	-38.2	176.5	-75.2	-14.2	0	0	0	111.6	L506 S512 S514	L506-D510 PolarHBondContact O-N 3.38Å; L506-D510 VanDerWaalsContact O-N 3.13Å; D510-S512 VanDerWaalsContact C-N 3.34Å; D510-S512 PolarHBondContact O-N 3.37Å; D510-S514 PolarHBondContact O-N 3.33Å; D510-S514 VanDerWaalsContact O-N 3.15Å
511	R	78.3	Confident	68.4	Low	190 Å²	190	88.4 Å²	88.4	72%	0.717	49%	0.486	S	S	*	.	H	α-helix	trans	-63.8	-37.5	173.3	-70.2	174.9	68	-171.8	0.4	111.9	L507 I508 W509 S514	L507-R511 WeakPolarHBondContact O-CD 3.33Å; L507-R511 VanDerWaalsContact O-CG 3.28Å; L507-R511 WeakPolarHBondContact O-CG 3.28Å; I508-R511 PolarHBondContact O-N 3.09Å; W509-R511 VanDerWaalsContact C-N 3.25Å; W509-R511 PolarHBondContact O-N 2.92Å; R511-S514 PolarHBondContact O-N 2.7Å; R511-S514 PolarHBondContact O-OG 2.91Å
512	S	67.4	Low	65.5	Low	49 Å²	49	93.4 Å²	93.4	34%	0.343	51%	0.514	S	S	.	.	H	α-helix	trans	-71.2	-42.4	178.3	77.8	0	0	0	0	112.4	I508 W509 D510 S514 V515	I508-S512 PolarHBondContact O-N 3.17Å; W509-S512 PolarHBondContact O-N 2.81Å; W509-S512 PolarHBondContact O-OG 2.7Å; D510-S512 VanDerWaalsContact C-N 3.34Å; D510-S512 PolarHBondContact O-N 3.37Å; S512-S514 PolarHBondContact O-N 2.81Å; S512-V515 PolarHBondContact O-N 2.87Å
513	K	61.2	Low	62.6	Low	119 Å²	119	98.4 Å²	98.4	52%	0.517	55%	0.549	S	S	.	.	H	α-helix	trans	-63.2	-24.6	174.3	-77	-170.5	170.3	178.9	0	112.9	D423 W509 V515	D423-K513 VanDerWaalsContact CG-NZ 3.35Å; D423-K513 IonicContact OD1-NZ 2.77Å; D423-K513 PolarHBondContact OD1-NZ 3.31Å; D423-K513 IonicContact OD2-NZ 2.75Å; D423-K513 PolarHBondContact OD2-NZ 2.99Å; D423-K513 VanDerWaalsContact OD2-NZ 3.16Å; W509-K513 VanDerWaalsContact CE2-CE 3.5Å; W509-K513 VanDerWaalsContact CZ2-CE 3.44Å; W509-K513 VanDerWaalsContact NE1-CE 3.27Å; W509-K513 PolarHBondContact O-N 3.45Å; K513-V515 PolarHBondContact O-N 3.01Å
514	S	47.7	Very low	60.1	Low	91 Å²	91	103.9 Å²	103.9	64%	0.636	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-17.4	178.1	77.8	0	0	0	0	115.7	D510 R511 S512 S516	D510-S514 PolarHBondContact O-N 3.33Å; D510-S514 VanDerWaalsContact O-N 3.15Å; R511-S514 PolarHBondContact O-N 2.7Å; R511-S514 PolarHBondContact O-OG 2.91Å; S512-S514 PolarHBondContact O-N 2.81Å; S514-S516 PolarHBondContact O-N 3.2Å
515	V	45.9	Very low	57.2	Low	93 Å²	93	103.7 Å²	103.7	56%	0.564	59%	0.586	S	S	*	*			trans	-100.9	88.4	-175	-175	0	0	0	0	110.9	S512 K513	S512-V515 PolarHBondContact O-N 2.87Å; K513-V515 PolarHBondContact O-N 3.01Å
516	S	36.8	Very low	54.6	Low	91 Å²	91	111.6 Å²	111.6	64%	0.636	63%	0.628	S	S	*	*			trans	-62.7	137.4	166.5	-70.1	0	0	0	0	110.6	S514 T518	S514-S516 PolarHBondContact O-N 3.2Å; S516-T518 PolarHBondContact O-N 2.03Å
517	P	42.9	Very low	52.1	Low	132 Å²	132	117.9 Å²	117.9	86%	0.857	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	56.2	-166.4	34.3	-38.7	0	0	0	113.1
518	T	44.8	Very low	49.5	Very low	118 Å²	118	119.7 Å²	119.7	72%	0.724	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.8	-2.6	-175.3	-29.1	0	0	0	0	114.1	S516	S516-T518 PolarHBondContact O-N 2.03Å
519	L	40.3	Very low	46.8	Very low	153 Å²	153	126 Å²	126	80%	0.801	69%	0.694	S	S	*	*	S	Bend	trans	-136.4	125.3	171.1	-71.4	175.3	0	0	0	110.8
520	N	35.3	Very low	44.4	Very low	150 Å²	150	135 Å²	135	80%	0.802	73%	0.728	S	S	*	*			trans	-70.9	126	-178.7	-67.3	-26.9	0	0	0	111.4	M522	N520-M522 VanDerWaalsContact C-N 3.31Å; N520-M522 PolarHBondContact O-N 3.1Å
521	P	38.6	Very low	42.2	Very low	129 Å²	129	136.4 Å²	136.4	84%	0.838	74%	0.736	S	S	*	*			trans	-80.3	75.5	175.5	33.1	-34.8	0	0	0	111
522	M	35.9	Very low	39.8	Very low	165 Å²	165	139.5 Å²	139.5	81%	0.813	75%	0.747	S	S	*	*			trans	-131.9	68.3	178.4	-131	-163.3	-57.7	0	0	113.4	N520	N520-M522 VanDerWaalsContact C-N 3.31Å; N520-M522 PolarHBondContact O-N 3.1Å
523	S	34.5	Very low	37.9	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	77%	0.768	S	S	*	*			trans	-166.1	108.3	151.4	-85.8	0	0	0	0	111.6	T525	S523-T525 PolarHBondContact O-N 2.83Å
524	T	40.5	Very low	36.3	Very low	154 Å²	154	145 Å²	145	95%	0.945	78%	0.78	S	S	*	*			trans	-81.4	89.3	160.3	48.4	0	0	0	0	109.1
525	T	33.1	Very low	36.2	Very low	117 Å²	117	146.1 Å²	146.1	72%	0.718	79%	0.785	S	S	*	*			trans	-111.2	126.7	171	33.9	0	0	0	0	110.8	S523 H527	S523-T525 PolarHBondContact O-N 2.83Å; T525-H527 PolarHBondContact O-N 2.93Å
526	L	36.8	Very low	35.2	Very low	168 Å²	168	151 Å²	151	88%	0.88	80%	0.799	S	S	*	*			trans	-64.3	130.3	174.6	-71.2	160.3	0	0	0	110.1
527	H	33.4	Very low	34.7	Very low	182 Å²	182	151.9 Å²	151.9	84%	0.843	81%	0.805	S	S	*	*			trans	-132.8	114.4	152.6	-109.8	49.6	0	0	0	110.1	T525	T525-H527 PolarHBondContact O-N 2.93Å
528	N	34	Very low	33.8	Very low	154 Å²	154	149 Å²	149	82%	0.824	80%	0.799	S	S	*	*			trans	-115.3	99.5	174.7	174.4	35	0	0	0	106.7
529	E	31.3	Very low	33.7	Very low	167 Å²	167	148.6 Å²	148.6	78%	0.78	80%	0.798	S	S	*	*			trans	-120.3	118.4	-179.8	-106.5	-65.3	152.8	0	0	108.5
530	R	34.5	Very low	33	Very low	206 Å²	206	151.2 Å²	151.2	78%	0.777	80%	0.799	S	S	*	*			trans	-146	127.4	175.4	-174.7	163.2	-170.6	162.5	5.3	112.5
531	N	32.8	Very low	32.7	Very low	132 Å²	132	149.1 Å²	149.1	71%	0.706	79%	0.792	S	S	*	*			trans	73.6	112.4	168.5	-63.6	-6.2	0	0	0	117.9
532	R	27.4	Very low	32	Very low	255 Å²	255	149.7 Å²	149.7	96%	0.962	79%	0.788	S	S	*	*				-125	157.3	129.7	-168.8	165.2	167.8	159.2	-3.8	109.7
533	M	28.1	Very low	31.8	Very low	160 Å²	160	150.8 Å²	150.8	79%	0.788	79%	0.79	S	S	*	*			trans	-96.2	135.4	-153.6	-72.7	173.6	171	0	0	116.3
534	T	27.8	Very low	31.9	Very low	125 Å²	125	151.7 Å²	151.7	77%	0.767	79%	0.794	S	S	*	*				28.4	175.1	122.2	68.7	0	0	0	0	121.9
535	P	44.3	Very low	31.4	Very low	114 Å²	114	148.8 Å²	148.8	74%	0.74	78%	0.78	S	S	*	*				-135.6	173.9	-51.4	37.2	-21.3	0	0	0	114.1
536	K	26.1	Very low	31.1	Very low	196 Å²	196	149.3 Å²	149.3	85%	0.852	78%	0.783	S	S	*	*			trans	-175.7	113.8	152.5	-106.1	160.4	-175.6	179.3	0	110.1
537	S	25.8	Very low	30.6	Very low	108 Å²	108	151 Å²	151	76%	0.755	78%	0.78	S	S	*	*				84.5	116.8	89.3	70.6	0	0	0	0	115
538	G	23.8	Very low	30.4	Very low	71 Å²	71	147.9 Å²	147.9	73%	0.732	77%	0.768	S	S	*	*			trans	-81	-150.1	170.7	0	0	0	0	0	113.3
539	P	43.3	Very low	30.2	Very low	110 Å²	110	147.8 Å²	147.8	71%	0.714	76%	0.762	S	S	*	*			cis	-141.2	-175	23.2	36.3	-13.7	0	0	0	117.2
540	Y	26.3	Very low	30	Very low	209 Å²	209	147.4 Å²	147.4	82%	0.82	76%	0.761	S	S	*	*			trans	67	155.8	164.4	-71.9	-62.5	0	0	0	118.2
541	T	28.4	Very low	29.7	Very low	105 Å²	105	144.6 Å²	144.6	64%	0.644	76%	0.756	S	S	*	*			cis	-149.1	148.9	3.2	-0.7	0	0	0	0	111.5
542	D	24	Very low	29.5	Very low	141 Å²	141	146.5 Å²	146.5	75%	0.754	76%	0.761	S	S	*	*			trans	53.2	131.7	143.4	-51.7	-16	0	0	0	125.3
543	H	31.7	Very low	29.5	Very low	188 Å²	188	137.6 Å²	137.6	87%	0.87	75%	0.748	S	S	*	*			trans	-94.9	150.9	146.1	-76.9	-43.2	0	0	0	109.6
544	P	35.6	Very low	29.5	Very low	124 Å²	124	136.9 Å²	136.9	81%	0.805	75%	0.752	S	S	*	*				-143.7	-174.4	101.9	23.1	-1.3	0	0	0	112.5
545	S	30.9	Very low	29.5	Very low	93 Å²	93	135 Å²	135	65%	0.65	75%	0.749	S	S	*	*			cis	176	142.2	-36.9	-175.7	0	0	0	0	108.1
546	T	27.5	Very low	28.8	Very low	128 Å²	128	138.4 Å²	138.4	79%	0.785	75%	0.752	S	S	*	*			trans	43.1	129.2	148.4	54.8	0	0	0	0	122.4
547	Y	25.8	Very low	28.9	Very low	204 Å²	204	135.3 Å²	135.3	80%	0.8	75%	0.745	S	S	*	*				137.9	160.8	105.6	-149	-159.6	0	0	0	116.9
548	I	29.7	Very low	29.1	Very low	116 Å²	116	137 Å²	137	60%	0.595	74%	0.741	S	S	*	*			trans	64.2	101.9	164.7	-50.5	-162.7	0	0	0	120.6
549	E	28.6	Very low	29.5	Very low	151 Å²	151	141 Å²	141	71%	0.706	74%	0.741	S	S	*	*				53.3	136.6	102.4	-119.1	149	-145.7	0	0	123.8
550	E	26.8	Very low	28.9	Very low	160 Å²	160	140.8 Å²	140.8	75%	0.748	74%	0.737	S	S	*	*			trans	67.1	117.2	139.3	-85.6	-174.1	165.9	0	0	126.3
551	H	29.6	Very low	29.2	Very low	146 Å²	146	137.1 Å²	137.1	68%	0.676	73%	0.732	S	S	*	*				72.8	134.8	127.1	-91.9	-122.4	0	0	0	124.4
552	E	27.8	Very low	29.3	Very low	173 Å²	173	138.6 Å²	138.6	81%	0.808	74%	0.741	S	S	*	*			trans	58.4	137.5	149	-69.7	172.1	-137	0	0	121.4
553	G	27.4	Very low	29.7	Very low	67 Å²	67	138.3 Å²	138.3	69%	0.691	75%	0.745	S	S	*	*			cis	168.6	-173.6	-4.6	0	0	0	0	0	114.5
554	V	27.4	Very low	29.6	Very low	146 Å²	146	132.9 Å²	132.9	89%	0.885	74%	0.739	S	S	*	*			trans	60.7	105.8	160.8	-169.9	0	0	0	0	118.3
555	A	28.4	Very low	29.3	Very low	85 Å²	85	132.8 Å²	132.8	70%	0.702	74%	0.742	S	S	*	*				-178.8	118.7	112.5	0	0	0	0	0	115.5
556	K	29.8	Very low	29.2	Very low	185 Å²	185	136 Å²	136	80%	0.804	75%	0.751	S	S	*	*			trans	58.4	134.7	133.3	-69.8	-177.4	178	177	0	123
557	N	28.9	Very low	30.4	Very low	132 Å²	132	136 Å²	136	71%	0.706	75%	0.753	S	S	*	*			trans	72.7	153	140.5	-68.5	26.3	0	0	0	118.5
558	Q	29.2	Very low	30.5	Very low	143 Å²	143	130.2 Å²	130.2	67%	0.668	76%	0.755	S	S	*	*			cis	-164	169.8	-23.9	-178.1	163	0.8	0	0	108.5
559	Q	32.1	Very low	30.5	Very low	154 Å²	154	136 Å²	136	72%	0.72	77%	0.77	S	S	*	*			trans	-25	154.9	163	-57.2	165.7	-84	0	0	116.3
560	V	31.6	Very low	30.4	Very low	107 Å²	107	135.2 Å²	135.2	65%	0.648	77%	0.774	S	S	*	*			cis	-161.9	175.2	12.7	101.3	0	0	0	0	111.5
561	D	31.3	Very low	30.4	Very low	131 Å²	131	131.2 Å²	131.2	70%	0.701	78%	0.776	S	S	*	*			trans	-7.3	152.9	159.1	-34.6	-37.8	0	0	0	119.1
562	T	30.1	Very low	30.4	Very low	136 Å²	136	128.5 Å²	128.5	83%	0.834	79%	0.788	S	S	*	*				-162.8	158.1	81.2	-60.7	0	0	0	0	113.2
563	T	32.5	Very low	30.5	Very low	136 Å²	136	123.7 Å²	123.7	83%	0.834	79%	0.785	S	S	*	*			trans	-85.7	158	-170.1	54.3	0	0	0	0	117.2
564	G	31.1	Very low	30.7	Very low	73 Å²	73	127.7 Å²	127.7	75%	0.753	80%	0.796	S	S	*	*			trans	116.3	151	149.8	0	0	0	0	0	116.1
565	S	27.8	Very low	30.9	Very low	123 Å²	123	124.6 Å²	124.6	86%	0.86	79%	0.793	S	S	*	*			cis	-164.2	161.9	-8.7	45.9	0	0	0	0	112.7
566	L	30.5	Very low	31.4	Very low	160 Å²	160	130.1 Å²	130.1	84%	0.838	81%	0.805	S	S	*	*			trans	-65.4	-176	168.5	-70.4	156.3	0	0	0	112.7
567	P	51.9	Low	31.6	Very low	128 Å²	128	132.5 Å²	132.5	83%	0.831	81%	0.808	S	S	*	*			cis	-131	-164.5	-14.4	27.3	-3.2	0	0	0	112.8
568	G	26.9	Very low	31.9	Very low	82 Å²	82	132.5 Å²	132.5	85%	0.845	81%	0.809	S	S	*	*			trans	160.8	135.9	154.1	0	0	0	0	0	117.2
569	R	29.7	Very low	32.2	Very low	239 Å²	239	135.5 Å²	135.5	90%	0.902	81%	0.814	S	S	*	*			trans	-136.4	154.3	-173	-168	-168.9	176	177.2	-1.4	110.7
570	V	26.5	Very low	32.1	Very low	133 Å²	133	135 Å²	135	81%	0.806	82%	0.816	S	S	*	*			trans	87.3	105.9	163.2	-167.4	0	0	0	0	119.8
571	G	27.7	Very low	32.2	Very low	76 Å²	76	134.5 Å²	134.5	78%	0.784	82%	0.817	S	S	*	*				87.8	103.3	106.2	0	0	0	0	0	124.5
572	G	30.9	Very low	32.4	Very low	90 Å²	90	135.3 Å²	135.3	93%	0.928	82%	0.82	S	S	*	*				92.3	128.8	125.5	0	0	0	0	0	122
573	G	28.3	Very low	32.4	Very low	72 Å²	72	136.2 Å²	136.2	74%	0.742	82%	0.82	S	S	*	*			trans	169.5	116.8	164.4	0	0	0	0	0	118
574	T	32.9	Very low	33	Very low	151 Å²	151	139 Å²	139	93%	0.926	82%	0.824	S	S	*	*			trans	36.5	123.5	149.7	55.6	0	0	0	0	123
575	G	30.9	Very low	32.7	Very low	80 Å²	80	144.8 Å²	144.8	83%	0.825	83%	0.831	S	S	*	*			trans	-102.4	-155.4	-179.8	0	0	0	0	0	119.2
576	E	38.5	Very low	33.2	Very low	202 Å²	202	149.9 Å²	149.9	94%	0.944	83%	0.831	S	S	*	*			trans	-160.3	173.8	174.7	-131.9	179.7	-164.7	0	0	112.2
577	R	33.2	Very low	33.2	Very low	234 Å²	234	150.3 Å²	150.3	88%	0.883	83%	0.829	S	S	*	*			trans	-136.1	129.8	-176.6	-77.7	-178.3	174	172.2	-1.6	113.4
578	N	35.4	Very low	32	Very low	133 Å²	133	150.8 Å²	150.8	71%	0.711	82%	0.82	S	S	*	*				-169.9	150.7	128.3	-141.8	-25.7	0	0	0	113.1
579	R	37.1	Very low	32.1	Very low	206 Å²	206	155.1 Å²	155.1	78%	0.777	82%	0.818	S	S	*	*	S	Bend	trans	36.4	123.8	165.2	-74.9	164.3	174.1	158.3	-1.3	119.6
580	N	30.3	Very low	31.9	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	81%	0.808	S	S	*	*	S	Bend	cis	-161.8	127.4	-2.8	-105.1	4.6	0	0	0	107.8
581	S	32.9	Very low	31.9	Very low	95 Å²	95	149.1 Å²	149.1	66%	0.664	81%	0.811	S	S	*	*			cis	-178.7	140.7	-44	42.6	0	0	0	0	109.8
582	I	34.5	Very low	32	Very low	149 Å²	149	149.6 Å²	149.6	76%	0.764	81%	0.807	S	S	*	*			cis	-166.2	173.3	-24.2	-120	153.6	0	0	0	108.2
583	N	30.7	Very low	31.8	Very low	155 Å²	155	157.4 Å²	157.4	83%	0.829	81%	0.809	S	S	*	*			trans	-68.6	176.1	-170.9	-71.7	-26.2	0	0	0	117.1
584	Q	44.9	Very low	31.9	Very low	195 Å²	195	160.9 Å²	160.9	91%	0.911	81%	0.81	S	S	*	*			trans	-36.7	146.9	170	-57.2	170.8	-13.9	0	0	116
585	E	25.6	Very low	32.3	Very low	194 Å²	194	159.5 Å²	159.5	91%	0.907	80%	0.804	S	S	*	*			trans	-156.8	166	152	-149.5	161.7	-146.9	0	0	113.1
586	R	37.8	Very low	32.4	Very low	229 Å²	229	159.6 Å²	159.6	86%	0.864	79%	0.792	S	S	*	*			trans	-161.3	86.7	-170.6	-178.6	-145.1	-156.1	-175.2	9.5	113
587	Q	30.6	Very low	33	Very low	169 Å²	169	156 Å²	156	79%	0.79	79%	0.785	S	S	*	*			trans	-165.9	144.4	162.6	-114.9	161.2	-78.3	0	0	118.3
588	Q	27.7	Very low	32.9	Very low	138 Å²	138	153.7 Å²	153.7	65%	0.645	79%	0.785	S	S	*	*			trans	51.5	116.9	140	-76.6	165.4	-27.8	0	0	125.1
589	Q	27	Very low	32.6	Very low	173 Å²	173	150.1 Å²	150.1	81%	0.808	78%	0.779	S	S	*	*				53.3	122.5	120.2	-64.5	176.4	-59.1	0	0	122.6
590	A	26.2	Very low	32.3	Very low	84 Å²	84	146.2 Å²	146.2	69%	0.694	78%	0.783	S	S	*	*				133.7	109.7	115.4	0	0	0	0	0	117.2
591	N	27.5	Very low	32.2	Very low	163 Å²	163	144 Å²	144	87%	0.872	78%	0.779	S	S	*	*			trans	66.1	142.7	139	-66.5	-4.9	0	0	0	120.8
592	A	28.2	Very low	32	Very low	85 Å²	85	145.5 Å²	145.5	70%	0.702	79%	0.785	S	S	*	*			cis	-154.7	149.9	-1.6	0	0	0	0	0	113.6
593	R	28.1	Very low	31.8	Very low	254 Å²	254	144.2 Å²	144.2	96%	0.958	79%	0.789	S	S	*	*			trans	-160	136.3	132.5	-107.8	165.6	-177	161.8	2.3	110.1
594	L	29.4	Very low	32	Very low	146 Å²	146	146.2 Å²	146.2	76%	0.764	80%	0.795	S	S	*	*			trans	-107.8	171	-177.9	-82.8	177.7	0	0	0	109.4
595	P	42.1	Very low	31.2	Very low	122 Å²	122	140.5 Å²	140.5	79%	0.792	79%	0.789	S	S	*	*			cis	-110.2	158.6	28.8	11.3	13.6	0	0	0	114.4
596	S	33.3	Very low	31.6	Very low	82 Å²	82	139.2 Å²	139.2	57%	0.573	79%	0.788	S	S	*	*			cis	80.9	148.5	37.4	-56.7	0	0	0	0	115.2
597	P	51	Low	31.2	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	79%	0.792	S	S	*	*			cis	-107.7	-158.6	-16	31.6	-10.7	0	0	0	109.5
598	E	30.6	Very low	31	Very low	187 Å²	187	136.1 Å²	136.1	87%	0.874	79%	0.793	S	S	*	*			cis	-138.6	176.8	1.6	-86.6	-164.8	-92.7	0	0	108.2
599	G	29.5	Very low	31.3	Very low	57 Å²	57	135.1 Å²	135.1	59%	0.588	80%	0.802	S	S	*	*			cis	153.1	119.3	-8.9	0	0	0	0	0	113.7
600	S	30	Very low	32.2	Very low	124 Å²	124	132.1 Å²	132.1	87%	0.867	80%	0.797	S	S	*	*			trans	64.3	149.3	155.3	-57.5	0	0	0	0	121.5
601	S	28.4	Very low	32.4	Very low	98 Å²	98	133.3 Å²	133.3	69%	0.685	80%	0.8	S	S	*	*			cis	-168.3	130.7	-22.8	52.3	0	0	0	0	112.9
602	T	28.9	Very low	32.7	Very low	127 Å²	127	131 Å²	131	78%	0.779	79%	0.792	S	S	*	*			trans	18.8	143	146.6	54.4	0	0	0	0	124.1
603	S	30.3	Very low	32.9	Very low	122 Å²	122	132.1 Å²	132.1	85%	0.853	80%	0.795	S	S	*	*			trans	115.2	146.5	130.6	76.8	0	0	0	0	119.3
604	M	36	Very low	33	Very low	196 Å²	196	125.7 Å²	125.7	97%	0.966	78%	0.784	S	S	*	*			trans	-93.8	145.8	168.9	-71.8	179.5	167.5	0	0	110.4
605	G	27.9	Very low	33.2	Very low	75 Å²	75	123.7 Å²	123.7	77%	0.773	78%	0.778	S	S	*	*			trans	-165.2	142.9	169.4	0	0	0	0	0	111.6
606	L	33.6	Very low	32.6	Very low	168 Å²	168	123.7 Å²	123.7	88%	0.88	78%	0.776	S	S	*	*			trans	-98.8	161.6	-179	-79	88.5	0	0	0	113
607	R	28.9	Very low	32.6	Very low	253 Å²	253	124.8 Å²	124.8	96%	0.955	78%	0.779	S	S	*	*			trans	88.2	135.8	165.1	-54.3	-179	171.8	-153.9	-2.7	116.9
608	G	26.3	Very low	31.7	Very low	79 Å²	79	124.7 Å²	124.7	81%	0.814	78%	0.776	S	S	*	*			trans	138	91	159.2	0	0	0	0	0	116.2
609	S	33.5	Very low	31.8	Very low	118 Å²	118	122.5 Å²	122.5	83%	0.825	77%	0.77	S	S	*	*			trans	-79.8	176.8	156.8	-46.6	0	0	0	0	109.5
610	P	45.8	Very low	31.8	Very low	109 Å²	109	126.4 Å²	126.4	71%	0.708	78%	0.775	S	S	*	*			cis	-149.2	-174.2	19.6	44.9	-24.4	0	0	0	118.8
611	S	32.1	Very low	31.9	Very low	109 Å²	109	125.1 Å²	125.1	76%	0.762	77%	0.766	S	S	*	*			trans	75.2	154.9	153.9	78.7	0	0	0	0	118
612	T	33.1	Very low	31.9	Very low	114 Å²	114	128.6 Å²	128.6	70%	0.699	77%	0.772	S	S	*	*			cis	-143.2	148.7	13.4	46.3	0	0	0	0	114.5
613	S	31.9	Very low	32	Very low	109 Å²	109	127.6 Å²	127.6	76%	0.762	77%	0.77	S	S	*	*			trans	63.9	145.4	143.7	69.8	0	0	0	0	120.3
614	T	31.5	Very low	31.9	Very low	119 Å²	119	130.8 Å²	130.8	73%	0.73	77%	0.771	S	S	*	*			cis	-148.9	138.1	18.7	-55.7	0	0	0	0	113.6
615	T	33.6	Very low	31.5	Very low	105 Å²	105	124.8 Å²	124.8	64%	0.644	76%	0.759	S	S	*	*			trans	8.1	136.1	148	-29.5	0	0	0	0	119.3	T617	T615-T617 HydrophobicContact CG2-CG2 4.28Å
616	T	28.8	Very low	32.2	Very low	121 Å²	121	126.7 Å²	126.7	74%	0.742	76%	0.758	S	S	*	*				-171.6	102.5	71.6	-54.6	0	0	0	0	109.6
617	T	32	Very low	31.9	Very low	105 Å²	105	125.3 Å²	125.3	64%	0.644	76%	0.757	S	S	*	*				56.6	136.7	91.4	60.2	0	0	0	0	115.4	T615	T615-T617 HydrophobicContact CG2-CG2 4.28Å
618	T	32	Very low	31.9	Very low	123 Å²	123	117.2 Å²	117.2	76%	0.755	75%	0.752	S	S	*	*			cis	-172.4	172.5	7	11.7	0	0	0	0	107
619	I	33.8	Very low	32	Very low	142 Å²	142	118.5 Å²	118.5	73%	0.728	76%	0.755	S	S	*	*			cis	-166.8	164.9	-6.6	-171.8	159.9	0	0	0	104.1
620	I	30	Very low	31.8	Very low	139 Å²	139	118.1 Å²	118.1	71%	0.713	75%	0.752	S	S	*	*			cis	-148.2	141.4	36.8	-41.7	167.1	0	0	0	105.9
621	S	31.3	Very low	31	Very low	96 Å²	96	119.5 Å²	119.5	67%	0.671	76%	0.759	S	S	*	*				50.9	145.7	79.5	-19.7	0	0	0	0	115.6
622	E	29.1	Very low	30.8	Very low	172 Å²	172	120.3 Å²	120.3	80%	0.804	76%	0.759	S	S	*	*			cis	-136.1	144.9	16.7	-56.6	179.4	124.5	0	0	110.8
623	S	30.4	Very low	30.9	Very low	105 Å²	105	120.5 Å²	120.5	73%	0.734	76%	0.763	S	S	*	*				66.5	138.8	104.4	88.6	0	0	0	0	116.2
624	E	29.2	Very low	30.7	Very low	190 Å²	190	121.4 Å²	121.4	89%	0.888	76%	0.763	S	S	*	*			cis	-142.7	-173.6	5.4	-66.6	-171.5	117.8	0	0	111.1
625	G	26.7	Very low	30.7	Very low	69 Å²	69	121.8 Å²	121.8	71%	0.711	77%	0.769	S	S	*	*			trans	-109	-157.8	168.1	0	0	0	0	0	112.6
626	P	41.6	Very low	30.7	Very low	115 Å²	115	124.5 Å²	124.5	75%	0.747	78%	0.779	S	S	*	*			cis	-137.3	158.6	2.5	41.9	-25.1	0	0	0	117.1
627	T	28.6	Very low	30.9	Very low	139 Å²	139	127.5 Å²	127.5	85%	0.853	78%	0.784	S	S	*	*			trans	44.6	114.3	146.4	57.8	0	0	0	0	122.1
628	G	28.4	Very low	30.8	Very low	84 Å²	84	129.3 Å²	129.3	87%	0.866	79%	0.789	S	S	*	*			trans	-137.8	118.7	142.6	0	0	0	0	0	108.5
629	A	28.7	Very low	31.4	Very low	106 Å²	106	128.3 Å²	128.3	88%	0.876	78%	0.783	S	S	*	*			trans	-97.6	144.9	-164.1	0	0	0	0	0	114.1
630	S	28.3	Very low	31.7	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	79%	0.788	S	S	*	*			trans	-125.4	141.2	168.2	175.4	0	0	0	0	109.1
631	T	29.3	Very low	32.3	Very low	139 Å²	139	132 Å²	132	85%	0.853	79%	0.794	S	S	*	*			trans	-138.7	107.5	176.9	48	0	0	0	0	111.1
632	V	29.1	Very low	32.6	Very low	125 Å²	125	133 Å²	133	76%	0.758	79%	0.792	S	S	*	*			trans	-101	140.1	170.3	177.2	0	0	0	0	108.2	V634	V632-V634 PolarHBondContact O-N 3.23Å
633	P	35	Very low	33.1	Very low	119 Å²	119	131.7 Å²	131.7	77%	0.773	79%	0.79	S	S	*	*			trans	-74.1	116.1	-177.2	28.2	-34.3	0	0	0	113.3
634	V	28	Very low	33.5	Very low	127 Å²	127	135.8 Å²	135.8	77%	0.77	80%	0.797	S	S	*	*			trans	19	116.7	140.6	-173.1	0	0	0	0	117.5	V632	V632-V634 PolarHBondContact O-N 3.23Å
635	C	30	Very low	33.9	Very low	127 Å²	127	133.4 Å²	133.4	86%	0.858	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-102.2	142.6	154.1	-169.5	0	0	0	0	109.5
636	L	34.7	Very low	34.5	Very low	162 Å²	162	136.1 Å²	136.1	85%	0.848	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-86	134.7	-179	-74.4	169.5	0	0	0	111.6
637	H	32.7	Very low	34.3	Very low	184 Å²	184	140.7 Å²	140.7	85%	0.852	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-94.1	120.1	178.6	-139.1	-60.4	0	0	0	110.2
638	L	30.8	Very low	35.2	Very low	144 Å²	144	140.1 Å²	140.1	75%	0.754	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-76.3	154.7	167.3	-76.2	163.3	0	0	0	110.6
639	T	44.1	Very low	36.1	Very low	102 Å²	102	140 Å²	140	63%	0.626	78%	0.778	S	S	*	*			trans	-111	156.9	-172.8	37.5	0	0	0	0	113.2	E641 D642	T639-E641 PolarHBondContact O-N 3.16Å; T639-D642 PolarHBondContact O-N 2.89Å
640	Q	39.4	Very low	37	Very low	179 Å²	179	139.8 Å²	139.8	84%	0.836	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	24.4	-169.6	-166.8	59.7	36.3	0	0	115
641	E	43.1	Very low	37.9	Very low	178 Å²	178	142.4 Å²	142.4	83%	0.832	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	-15	177	-69.7	-174.8	131.7	0	0	113.4	T639 L643	T639-E641 PolarHBondContact O-N 3.16Å; E641-L643 PolarHBondContact O-N 2.9Å; E641-L643 VanDerWaalsContact O-N 3.14Å
642	D	37.6	Very low	38.9	Very low	118 Å²	118	141.3 Å²	141.3	63%	0.631	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	11.5	179.4	-67.9	-53.2	0	0	0	114.5	T639	T639-D642 PolarHBondContact O-N 2.89Å
643	L	39.4	Very low	40	Very low	145 Å²	145	138.6 Å²	138.6	76%	0.759	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.2	25.5	-165.8	-142.4	81.1	0	0	0	116.5	E641	E641-L643 PolarHBondContact O-N 2.9Å; E641-L643 VanDerWaalsContact O-N 3.14Å
644	E	38	Very low	40.3	Very low	191 Å²	191	137 Å²	137	89%	0.893	72%	0.719	S	S	*	*			trans	-113.5	81.9	170.5	-67.1	-152.9	157.7	0	0	113.1
645	T	37.5	Very low	41.3	Very low	139 Å²	139	136.4 Å²	136.4	85%	0.853	71%	0.706	S	S	*	*			trans	-77	127.1	171	56.7	0	0	0	0	111.7	K647	T645-K647 PolarHBondContact O-N 3.43Å
646	T	41	Very low	41.8	Very low	127 Å²	127	134.9 Å²	134.9	78%	0.779	69%	0.689	S	S	*	*			trans	-55.6	131.7	177.8	48.1	0	0	0	0	113.3	L648	T646-L648 PolarHBondContact O-N 3.09Å
647	K	37	Very low	42	Very low	210 Å²	210	132.3 Å²	132.3	91%	0.913	68%	0.675	S	S	*	*			trans	-75.1	105.8	-178.7	-142.9	173.7	-169.6	171.9	0	110.9	T645	T645-K647 PolarHBondContact O-N 3.43Å
648	L	47	Very low	42.4	Very low	127 Å²	127	130 Å²	130	67%	0.665	66%	0.663	S	S	*	*			trans	-68.7	145.4	175.4	-67.6	168.9	0	0	0	111.6	T646 P650 V653	T646-L648 PolarHBondContact O-N 3.09Å; L648-P650 WeakPolarHBondContact O-CD 3.37Å; L648-V653 HydrophobicContact CB-CG2 4.39Å
649	D	47.4	Very low	42.9	Very low	82 Å²	82	129.7 Å²	129.7	44%	0.439	66%	0.658	S	S	.	*			trans	-70.7	124.2	178.9	-174.2	-19.1	0	0	0	110.4	K651 E652 V653	D649-K651 PolarHBondContact O-N 3.23Å; D649-K651 WeakPolarHBondContact OD1-CB 3.02Å; D649-K651 PolarHBondContact OD1-N 3.15Å; D649-E652 HydrophobicContact CB-CB 4.3Å; D649-E652 PolarHBondContact O-N 2.9Å; D649-V653 PolarHBondContact O-N 2.89Å; D649-V653 VanDerWaalsContact O-N 3.12Å
650	P	47.3	Very low	42.6	Very low	102 Å²	102	129.2 Å²	129.2	66%	0.662	66%	0.658	S	S	*	*	H	α-helix	trans	-50.6	-28.2	173	-28.9	36.3	0	0	0	115	L648 D654	L648-P650 WeakPolarHBondContact O-CD 3.37Å; P650-D654 PolarHBondContact O-N 2.85Å
651	K	46.6	Very low	42.6	Very low	164 Å²	164	124.5 Å²	124.5	71%	0.713	65%	0.646	S	S	*	*	H	α-helix	trans	-74.2	-31.6	177	-64.9	173.8	-179	171	0	113.1	D649 K655	D649-K651 PolarHBondContact O-N 3.23Å; D649-K651 WeakPolarHBondContact OD1-CB 3.02Å; D649-K651 PolarHBondContact OD1-N 3.15Å; K651-K655 WeakPolarHBondContact O-CB 3.14Å; K651-K655 PolarHBondContact O-N 3.13Å
652	E	51.1	Low	42.7	Very low	115 Å²	115	123.8 Å²	123.8	54%	0.537	65%	0.647	S	S	.	*	H	α-helix	trans	-76.2	-35.2	174.8	-172.5	162.2	-140.4	0	0	110.5	D649 K655 N656	D649-E652 HydrophobicContact CB-CB 4.3Å; D649-E652 PolarHBondContact O-N 2.9Å; E652-K655 PolarHBondContact O-N 3.4Å; E652-N656 PolarHBondContact O-N 2.94Å; E652-N656 PolarHBondContact O-ND2 2.89Å
653	V	52.2	Low	42.9	Very low	68 Å²	68	127 Å²	127	41%	0.412	66%	0.658	S	S	.	*	H	α-helix	trans	-64.9	-46.8	171.1	-179.5	0	0	0	0	111.5	L648 D649 K655 N656 L657	L648-V653 HydrophobicContact CB-CG2 4.39Å; D649-V653 PolarHBondContact O-N 2.89Å; D649-V653 VanDerWaalsContact O-N 3.12Å; V653-K655 VanDerWaalsContact C-N 3.3Å; V653-K655 PolarHBondContact O-N 2.77Å; V653-N656 PolarHBondContact O-N 3.35Å; V653-L657 HydrophobicContact CG1-CD1 3.93Å; V653-L657 HydrophobicContact CG1-CG 4.44Å; V653-L657 WeakPolarHBondContact O-CB 3.3Å; V653-L657 WeakPolarHBondContact O-CG 3.42Å; V653-L657 PolarHBondContact O-N 2.69Å
654	D	42.4	Very low	42.9	Very low	87 Å²	87	126 Å²	126	47%	0.465	65%	0.654	S	S	.	*	H	α-helix	trans	-65.6	-31.1	176.4	-169.3	64	0	0	0	112.5	P650 K658	P650-D654 PolarHBondContact O-N 2.85Å; D654-K658 WeakPolarHBondContact O-CB 3.4Å; D654-K658 PolarHBondContact O-N 3.33Å; D654-K658 VanDerWaalsContact O-N 3.08Å; D654-K658 IonicContact OD1-NZ 3.34Å; D654-K658 PolarHBondContact OD1-NZ 2.84Å; D654-K658 IonicContact OD2-NZ 3.14Å; D654-K658 PolarHBondContact OD2-NZ 3.24Å
655	K	47.3	Very low	42.9	Very low	114 Å²	114	125.4 Å²	125.4	50%	0.496	66%	0.656	S	S	.	*	H	α-helix	trans	-64	-53.2	171.8	-171.3	-175.8	-180	-76.7	0	111.3	K651 E652 V653 L657 K658 E659	K651-K655 WeakPolarHBondContact O-CB 3.14Å; K651-K655 PolarHBondContact O-N 3.13Å; E652-K655 PolarHBondContact O-N 3.4Å; V653-K655 VanDerWaalsContact C-N 3.3Å; V653-K655 PolarHBondContact O-N 2.77Å; K655-L657 VanDerWaalsContact C-N 3.35Å; K655-L657 PolarHBondContact O-N 2.68Å; K655-K658 PolarHBondContact O-N 3.35Å; K655-K658 VanDerWaalsContact O-N 3.13Å; K655-E659 IonicContact NZ-OE1 2.87Å; K655-E659 PolarHBondContact NZ-OE1 2.78Å; K655-E659 IonicContact NZ-OE2 2.78Å; K655-E659 PolarHBondContact NZ-OE2 2.79Å; K655-E659 PolarHBondContact O-N 3.17Å
656	N	41.1	Very low	42.8	Very low	95 Å²	95	126.8 Å²	126.8	51%	0.508	66%	0.655	S	S	.	*	H	α-helix	trans	-64.9	-36.7	-178.2	-78.1	-77.5	0	0	0	112.5	E652 V653	E652-N656 PolarHBondContact O-N 2.94Å; E652-N656 PolarHBondContact O-ND2 2.89Å; V653-N656 PolarHBondContact O-N 3.35Å
657	L	39.7	Very low	42.6	Very low	107 Å²	107	126.6 Å²	126.6	56%	0.56	65%	0.645	S	S	*	*	H	α-helix	trans	-63.1	-41.5	172.3	-74.1	169.2	0	0	0	111.6	V653 K655 S660	V653-L657 HydrophobicContact CG1-CD1 3.93Å; V653-L657 HydrophobicContact CG1-CG 4.44Å; V653-L657 WeakPolarHBondContact O-CB 3.3Å; V653-L657 WeakPolarHBondContact O-CG 3.42Å; V653-L657 PolarHBondContact O-N 2.69Å; K655-L657 VanDerWaalsContact C-N 3.35Å; K655-L657 PolarHBondContact O-N 2.68Å; L657-S660 PolarHBondContact O-N 3.42Å; L657-S660 PolarHBondContact O-OG 2.92Å
658	K	41.5	Very low	42.5	Very low	137 Å²	137	124.7 Å²	124.7	60%	0.596	64%	0.639	S	S	*	*	H	α-helix	trans	-78.3	-16.6	-176.9	-164.7	176.8	-91.1	87.4	0	114	D654 K655 S660	D654-K658 WeakPolarHBondContact O-CB 3.4Å; D654-K658 PolarHBondContact O-N 3.33Å; D654-K658 VanDerWaalsContact O-N 3.08Å; D654-K658 IonicContact OD1-NZ 3.34Å; D654-K658 PolarHBondContact OD1-NZ 2.84Å; D654-K658 IonicContact OD2-NZ 3.14Å; D654-K658 PolarHBondContact OD2-NZ 3.24Å; K655-K658 PolarHBondContact O-N 3.35Å; K655-K658 VanDerWaalsContact O-N 3.13Å; K658-S660 VanDerWaalsContact C-N 3.34Å
659	E	40.7	Very low	41.8	Very low	137 Å²	137	124 Å²	124	64%	0.64	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-1	166.9	-90.5	170.5	155.2	0	0	113.4	K655	K655-E659 IonicContact NZ-OE1 2.87Å; K655-E659 PolarHBondContact NZ-OE1 2.78Å; K655-E659 IonicContact NZ-OE2 2.78Å; K655-E659 PolarHBondContact NZ-OE2 2.79Å; K655-E659 PolarHBondContact O-N 3.17Å
660	S	37.3	Very low	41.1	Very low	91 Å²	91	128.2 Å²	128.2	64%	0.636	66%	0.662	S	S	*	*	S	Bend	trans	-106.1	-3	-175.1	76.3	0	0	0	0	116	L657 K658	L657-S660 PolarHBondContact O-N 3.42Å; L657-S660 PolarHBondContact O-OG 2.92Å; K658-S660 VanDerWaalsContact C-N 3.34Å
661	S	39.1	Very low	40.3	Very low	81 Å²	81	130.5 Å²	130.5	57%	0.566	66%	0.661	S	S	*	*	S	Bend	trans	-103.5	114.4	-178.4	58.9	0	0	0	0	113.1
662	D	45.3	Very low	39.8	Very low	162 Å²	162	130.7 Å²	130.7	87%	0.866	67%	0.665	S	S	*	*	S	Bend	trans	57	49.7	155.7	-62.4	-27.3	0	0	0	119.8
663	E	42.6	Very low	38.7	Very low	185 Å²	185	133.9 Å²	133.9	86%	0.864	68%	0.677	S	S	*	*	S	Bend	trans	-152.9	66.3	157.8	-131.3	168.4	-140.4	0	0	114.9
664	N	39	Very low	37.4	Very low	125 Å²	125	136.6 Å²	136.6	67%	0.668	70%	0.698	S	S	*	*	S	Bend	trans	-170.7	-21.6	151.3	-116.5	-84.1	0	0	0	116.7	M666 E667	N664-M666 VanDerWaalsContact C-N 3.28Å; N664-M666 PolarHBondContact O-N 2.85Å; N664-M666 VanDerWaalsContact O-N 3.08Å; N664-E667 PolarHBondContact O-N 3.18Å
665	L	37.8	Very low	36.6	Very low	179 Å²	179	137.8 Å²	137.8	94%	0.937	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	12.2	-164.1	-118.5	138.6	0	0	0	117
666	M	35.6	Very low	35.8	Very low	168 Å²	168	137.9 Å²	137.9	83%	0.828	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-14.5	168	-76	-166.6	-74	0	0	114.6	N664	N664-M666 VanDerWaalsContact C-N 3.28Å; N664-M666 PolarHBondContact O-N 2.85Å; N664-M666 VanDerWaalsContact O-N 3.08Å
667	E	37.2	Very low	35.2	Very low	122 Å²	122	141 Å²	141	57%	0.57	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-10.2	-173.8	-135.4	-165.6	133.4	0	0	114.5	N664 K671	N664-E667 PolarHBondContact O-N 3.18Å; E667-K671 WeakPolarHBondContact OE1-CE 3.05Å; E667-K671 IonicContact OE1-NZ 3.36Å; E667-K671 PolarHBondContact OE1-NZ 2.03Å
668	H	33.7	Very low	34.6	Very low	171 Å²	171	141.1 Å²	141.1	79%	0.792	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-11.2	-175.9	-134	-62.5	0	0	0	115
669	S	33.1	Very low	33.8	Very low	111 Å²	111	143.1 Å²	143.1	78%	0.776	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-18.2	177.7	-162.3	0	0	0	0	113.4	K671	S669-K671 PolarHBondContact O-N 3.08Å
670	Q	31.9	Very low	33.1	Very low	172 Å²	172	142 Å²	142	80%	0.804	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	15.9	178.4	-89.5	-175	-5.1	0	0	114.9
671	K	31.4	Very low	33.2	Very low	149 Å²	149	143.5 Å²	143.5	65%	0.648	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	23.6	-177.6	-74.8	177.5	-176.5	159.2	0	115	E667 S669	E667-K671 WeakPolarHBondContact OE1-CE 3.05Å; E667-K671 IonicContact OE1-NZ 3.36Å; E667-K671 PolarHBondContact OE1-NZ 2.03Å; S669-K671 PolarHBondContact O-N 3.08Å
672	Q	35.8	Very low	32.4	Very low	168 Å²	168	142.9 Å²	142.9	79%	0.785	79%	0.787	S	S	*	*	S	Bend	trans	-127.3	-11.3	176.2	-106	-175	-6.9	0	0	117.2
673	F	27.5	Very low	31.4	Very low	182 Å²	182	140.4 Å²	140.4	80%	0.798	78%	0.782	S	S	*	*	S	Bend	trans	-140.3	147.6	176.2	-69.7	-77.4	0	0	0	112.2
674	C	25.4	Very low	30.6	Very low	126 Å²	126	136.6 Å²	136.6	85%	0.851	78%	0.776	S	S	*	*			trans	68.5	125	-165.1	-61.2	0	0	0	0	112.8
675	S	25.7	Very low	30.1	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	78%	0.779	S	S	*	*			cis	-155.2	-179.4	10.6	-53.9	0	0	0	0	109.8
676	P	30.2	Very low	29.7	Very low	115 Å²	115	135.8 Å²	135.8	75%	0.747	78%	0.78	S	S	*	*			cis	-128.2	168	-10	40.4	-25.9	0	0	0	114.8
677	D	29.1	Very low	29.4	Very low	162 Å²	162	135.1 Å²	135.1	87%	0.866	78%	0.779	S	S	*	*			trans	-76.1	152.2	161.2	-82.5	-42.4	0	0	0	112.2
678	P	27.5	Very low	29	Very low	109 Å²	109	139.2 Å²	139.2	71%	0.708	79%	0.79	S	S	*	*			trans	-140.7	130.9	135.9	33	-17	0	0	0	115.6
679	L	24.1	Very low	28.8	Very low	178 Å²	178	136 Å²	136	93%	0.932	79%	0.785	S	S	*	*			trans	86.3	129.3	158.6	-55.4	171.2	0	0	0	119.8
680	S	26.5	Very low	28.5	Very low	114 Å²	114	138 Å²	138	80%	0.797	79%	0.786	S	S	*	*			trans	-110.6	-169.7	177.1	-141.3	0	0	0	0	109
681	P	39.8	Very low	28.2	Very low	123 Å²	123	137.8 Å²	137.8	80%	0.799	79%	0.789	S	S	*	*			cis	-133.3	176.5	-8.5	41.4	-24.8	0	0	0	115.3
682	G	22.2	Very low	27.9	Very low	68 Å²	68	138.7 Å²	138.7	70%	0.701	79%	0.793	S	S	*	*			trans	168.9	133	162.5	0	0	0	0	0	115.4
683	S	24.3	Very low	27.4	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	80%	0.8	S	S	*	*			trans	30.2	97.3	160.2	55.4	0	0	0	0	118.2
684	S	25.7	Very low	27.4	Very low	104 Å²	104	133.8 Å²	133.8	73%	0.727	78%	0.784	S	S	*	*				79.9	117.3	79.2	69.3	0	0	0	0	115.8
685	S	28.2	Very low	27.4	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	78%	0.782	S	S	*	*			trans	46.6	118.4	153.7	60.6	0	0	0	0	120.5
686	L	29.6	Very low	27.5	Very low	181 Å²	181	137.4 Å²	137.4	95%	0.948	79%	0.789	S	S	*	*			trans	-137.6	125.2	130.8	-82.4	-174.2	0	0	0	110.7
687	L	29.5	Very low	27.3	Very low	153 Å²	153	136 Å²	136	80%	0.801	79%	0.787	S	S	*	*			trans	-109	149.5	163.5	-88	164.2	0	0	0	107.4
688	Y	28	Very low	27.3	Very low	208 Å²	208	134.7 Å²	134.7	82%	0.816	79%	0.791	S	S	*	*			trans	60.9	149.3	160.9	-94.8	-91.6	0	0	0	119.8
689	P	29.7	Very low	27.2	Very low	105 Å²	105	132.4 Å²	132.4	68%	0.682	79%	0.786	S	S	*	*			trans	-122.2	155.2	141.7	36.6	-28.2	0	0	0	112.8
690	L	26	Very low	27.4	Very low	153 Å²	153	130.6 Å²	130.6	80%	0.801	78%	0.783	S	S	*	*			trans	69.7	73.1	154.9	-66.2	166	0	0	0	120.5
691	I	25.6	Very low	27.5	Very low	166 Å²	166	130.3 Å²	130.3	85%	0.851	78%	0.781	S	S	*	*				-134.3	136.9	107	-60.1	-172.3	0	0	0	104.6
692	K	25.3	Very low	26.9	Very low	169 Å²	169	132 Å²	132	74%	0.735	78%	0.783	S	S	*	*			cis	-142.9	153.3	21.7	-150.9	169.6	178.4	178.3	0	110.8	A694	K692-A694 HydrophobicContact CD-CB 3.77Å; K692-A694 HydrophobicContact CG-CB 4.01Å
693	M	26.1	Very low	28.3	Very low	189 Å²	189	133.9 Å²	133.9	93%	0.931	78%	0.783	S	S	*	*			trans	-89.3	108.8	147.8	-73.2	-163.5	-61	0	0	108.2
694	A	26.4	Very low	28.5	Very low	58 Å²	58	133.4 Å²	133.4	48%	0.479	79%	0.786	S	S	.	*			trans	-159.6	144.4	168.8	0	0	0	0	0	110	K692	K692-A694 HydrophobicContact CD-CB 3.77Å; K692-A694 HydrophobicContact CG-CB 4.01Å
695	S	26.3	Very low	28.9	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	79%	0.791	S	S	*	*			trans	50	84.3	170.7	60.8	0	0	0	0	117.3
696	E	26.9	Very low	28.9	Very low	201 Å²	201	132.5 Å²	132.5	94%	0.939	79%	0.791	S	S	*	*				-90.7	123.2	121.5	-77.3	-165.9	144	0	0	107.7
697	A	25.6	Very low	29	Very low	85 Å²	85	131.4 Å²	131.4	70%	0.702	78%	0.783	S	S	*	*			trans	-163.3	98.3	167.6	0	0	0	0	0	109.4
698	S	29.2	Very low	29.6	Very low	135 Å²	135	129.8 Å²	129.8	94%	0.944	78%	0.782	S	S	*	*			trans	64.9	150.4	179.1	-52.4	0	0	0	0	116
699	G	26.5	Very low	29.9	Very low	60 Å²	60	126 Å²	126	62%	0.619	78%	0.78	S	S	*	*			cis	146.6	133.6	-8.4	0	0	0	0	0	113.4
700	T	28.6	Very low	29.9	Very low	141 Å²	141	125.2 Å²	125.2	87%	0.865	78%	0.783	S	S	*	*			trans	78.8	124.2	164.8	63.1	0	0	0	0	121.8
701	S	27.5	Very low	30	Very low	107 Å²	107	125.4 Å²	125.4	75%	0.748	78%	0.783	S	S	*	*			trans	62.4	93.9	143.7	57.3	0	0	0	0	123.3
702	D	27.6	Very low	30.3	Very low	158 Å²	158	126.2 Å²	126.2	85%	0.845	78%	0.781	S	S	*	*				26.4	159.4	98.1	-89.6	-15.1	0	0	0	122
703	P	50.9	Low	30.9	Very low	109 Å²	109	123.9 Å²	123.9	71%	0.708	78%	0.783	S	S	*	*			cis	-142.4	-179.8	-10.5	37.3	-17.2	0	0	0	117.5
704	A	30.1	Very low	31	Very low	99 Å²	99	122.4 Å²	122.4	82%	0.818	78%	0.778	S	S	*	*			trans	72.8	133.9	154.6	0	0	0	0	0	118.8
705	A	33	Very low	31.5	Very low	101 Å²	101	124.8 Å²	124.8	84%	0.835	79%	0.788	S	S	*	*			cis	-149.5	-164.3	4.2	0	0	0	0	0	109.4
706	A	28.1	Very low	31.4	Very low	91 Å²	91	128 Å²	128	75%	0.752	79%	0.788	S	S	*	*			cis	-156.9	-170.8	11.9	0	0	0	0	0	112.1
707	M	31.6	Very low	31.6	Very low	158 Å²	158	126.5 Å²	126.5	78%	0.778	78%	0.781	S	S	*	*			trans	-149.9	175.4	-173.9	-87.7	-62.5	-84.7	0	0	110.2
708	P	43.4	Very low	31.8	Very low	120 Å²	120	130.6 Å²	130.6	78%	0.779	79%	0.786	S	S	*	*			cis	-145.3	-173.5	25.6	43.9	-23	0	0	0	119
709	T	33.1	Very low	31.7	Very low	128 Å²	128	130.6 Å²	130.6	79%	0.785	78%	0.775	S	S	*	*			trans	-147.2	165.3	-178.2	-22.9	0	0	0	0	113.1
710	A	30.9	Very low	31.7	Very low	89 Å²	89	135.3 Å²	135.3	74%	0.736	79%	0.785	S	S	*	*			trans	-161.8	167	177.2	0	0	0	0	0	110.4
711	I	27.7	Very low	32.1	Very low	157 Å²	157	133.5 Å²	133.5	81%	0.805	78%	0.776	S	S	*	*			cis	-157.7	-152.5	-8.4	-157.9	159.7	0	0	0	110.7
712	F	30.6	Very low	32	Very low	183 Å²	183	138.6 Å²	138.6	80%	0.803	79%	0.785	S	S	*	*			trans	-142.6	170.5	-172.7	-86.4	-84.1	0	0	0	110.4
713	P	38.2	Very low	32	Very low	120 Å²	120	142.1 Å²	142.1	78%	0.779	79%	0.786	S	S	*	*				-158.3	-154.1	60.4	44.1	-18.5	0	0	0	118.6
714	L	28.7	Very low	31.3	Very low	157 Å²	157	141.9 Å²	141.9	82%	0.822	79%	0.785	S	S	*	*			trans	-138.8	-157.3	-171.1	-57.2	174.5	0	0	0	110.6
715	P	36.5	Very low	31.2	Very low	108 Å²	108	142.2 Å²	142.2	70%	0.701	78%	0.781	S	S	*	*			cis	-149.4	-178.5	-3.9	46.7	-26	0	0	0	120.4
716	K	25.5	Very low	31	Very low	180 Å²	180	142.3 Å²	142.3	78%	0.783	78%	0.775	S	S	*	*			trans	68.4	120.8	145.3	-78.4	174.5	-178	-175.5	0	127.1
717	Q	31	Very low	30.8	Very low	171 Å²	171	145.7 Å²	145.7	80%	0.799	78%	0.78	S	S	*	*			trans	55	132.1	133.7	-68	-172.4	-50.6	0	0	127.1
718	Q	30.1	Very low	31.2	Very low	171 Å²	171	142.9 Å²	142.9	80%	0.799	77%	0.773	S	S	*	*				169.2	142.4	110.9	-94.1	-163.5	6.3	0	0	119.2
719	N	26.8	Very low	30.3	Very low	135 Å²	135	144.8 Å²	144.8	72%	0.722	78%	0.776	S	S	*	*			trans	79.2	161	142.1	-75	-41.4	0	0	0	128
720	L	26.6	Very low	29.9	Very low	159 Å²	159	148.4 Å²	148.4	83%	0.832	78%	0.776	S	S	*	*			trans	-86.3	-171	-165.1	-74.1	146.5	0	0	0	116.4
721	P	36	Very low	29.7	Very low	103 Å²	103	150.6 Å²	150.6	67%	0.669	78%	0.775	S	S	*	*			cis	-147.2	177.3	4.4	43.9	-23.5	0	0	0	121.4
722	K	25	Very low	29.8	Very low	213 Å²	213	152.5 Å²	152.5	93%	0.926	78%	0.777	S	S	*	*			trans	88.8	163.7	140.4	-87	167	-176.8	178.2	0	125.9
723	R	28.6	Very low	30	Very low	232 Å²	232	150.2 Å²	150.2	88%	0.875	78%	0.781	S	S	*	*			trans	-130.5	162.3	-166.8	-157.4	-152.9	-173.6	176.9	4.4	110
724	P	36.7	Very low	29.5	Very low	105 Å²	105	148.9 Å²	148.9	68%	0.682	78%	0.78	S	S	*	*				-162.9	172.6	88.3	43.5	-22.3	0	0	0	119.5
725	S	27.5	Very low	29.4	Very low	105 Å²	105	151 Å²	151	73%	0.734	78%	0.782	S	S	*	*			trans	46.4	160.1	146.9	51.8	0	0	0	0	123.4
726	S	28.8	Very low	29	Very low	103 Å²	103	153.5 Å²	153.5	72%	0.72	78%	0.782	S	S	*	*			cis	-164	146.4	4.1	25.3	0	0	0	0	109.7
727	L	24.3	Very low	28.9	Very low	163 Å²	163	152 Å²	152	85%	0.853	78%	0.778	S	S	*	*				50.7	150.9	89.2	-83.9	168.8	0	0	0	116.7
728	P	38.7	Very low	28.5	Very low	98 Å²	98	148.9 Å²	148.9	64%	0.636	78%	0.775	S	S	*	*			cis	-147	172.9	0.2	43.2	-23.5	0	0	0	120
729	L	25.4	Very low	28.3	Very low	160 Å²	160	146.3 Å²	146.3	84%	0.838	78%	0.776	S	S	*	*			trans	53.6	152	142.5	-65.9	164.7	0	0	0	121.9
730	R	24	Very low	28.3	Very low	205 Å²	205	144.8 Å²	144.8	77%	0.774	78%	0.776	S	S	*	*			cis	179.1	150.3	40.4	-147.3	-172.2	173	-179.2	0.1	115.5
731	N	27.4	Very low	28.3	Very low	135 Å²	135	142.5 Å²	142.5	72%	0.722	77%	0.773	S	S	*	*			trans	62.3	148.5	144.4	-81.2	20.9	0	0	0	127.3
732	K	28.7	Very low	27.8	Very low	197 Å²	197	143.3 Å²	143.3	86%	0.857	78%	0.781	S	S	*	*			trans	-97.2	164.8	162.4	-61.8	177.4	178.7	176	0	112
733	P	35.4	Very low	27.9	Very low	135 Å²	135	141.3 Å²	141.3	88%	0.877	78%	0.78	S	S	*	*				-135.3	-157.3	117.5	38.5	-26.9	0	0	0	113.3
734	A	27.5	Very low	27.8	Very low	91 Å²	91	141 Å²	141	75%	0.752	78%	0.779	S	S	*	*			trans	-154.2	170.7	-164.3	0	0	0	0	0	115.8
735	K	27.7	Very low	27	Very low	202 Å²	202	144.7 Å²	144.7	88%	0.878	78%	0.784	S	S	*	*			trans	72.7	145.6	166.6	-79.4	176	-177.7	176.4	0	116.1
736	K	26.8	Very low	27.1	Very low	161 Å²	161	147.9 Å²	147.9	70%	0.7	79%	0.785	S	S	*	*			cis	-163.5	163.8	-6.5	-157.7	-171.9	164.4	-149.6	0	109.2
737	E	23.3	Very low	26.9	Very low	149 Å²	149	153 Å²	153	70%	0.696	80%	0.795	S	S	*	*			trans	67.2	143.1	165.7	-75.1	156.3	-137.6	0	0	117.2
738	S	23.5	Very low	26.8	Very low	105 Å²	105	148.5 Å²	148.5	73%	0.734	79%	0.788	S	S	*	*			cis	-159.1	144.1	-14.1	57.5	0	0	0	0	111.3
739	S	26.2	Very low	26.3	Very low	116 Å²	116	155 Å²	155	81%	0.811	80%	0.8	S	S	*	*			trans	164.5	178.2	154.4	47.3	0	0	0	0	112
740	S	26.4	Very low	26.3	Very low	104 Å²	104	152.6 Å²	152.6	73%	0.727	80%	0.796	S	S	*	*			trans	55	93.6	172.2	52.9	0	0	0	0	120.4
741	S	26.9	Very low	26.5	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	80%	0.799	S	S	*	*				46.5	88	129.9	61	0	0	0	0	119.7
742	S	24.8	Very low	26.8	Very low	120 Å²	120	150.4 Å²	150.4	84%	0.839	81%	0.809	S	S	*	*			trans	-109.7	109.6	138.2	-178.9	0	0	0	0	108
743	L	27.6	Very low	26.8	Very low	172 Å²	172	145.5 Å²	145.5	90%	0.901	80%	0.799	S	S	*	*			trans	-123.2	98.8	178.4	-84.6	177.8	0	0	0	111.3
744	R	25.9	Very low	26.5	Very low	225 Å²	225	146 Å²	146	85%	0.849	79%	0.794	S	S	*	*			trans	-100.1	101.7	172.3	177	-165.2	-155.3	164.2	6.9	108.3
745	F	21.4	Very low	26.6	Very low	182 Å²	182	147.6 Å²	147.6	80%	0.798	79%	0.79	S	S	*	*			trans	-169.7	147.1	147.5	-100.3	-57.7	0	0	0	113.8
746	K	27.7	Very low	26.8	Very low	172 Å²	172	147.9 Å²	147.9	75%	0.748	79%	0.785	S	S	*	*			trans	-5.3	130.5	156.8	-61.5	160.6	-179.1	176.8	0	116.6
747	F	24.9	Very low	26.9	Very low	211 Å²	211	147.5 Å²	147.5	93%	0.925	79%	0.786	S	S	*	*				-157.7	144.5	111.2	-109.4	-71.5	0	0	0	111.1
748	G	23.9	Very low	27.2	Very low	69 Å²	69	145.6 Å²	145.6	71%	0.711	78%	0.784	S	S	*	*			trans	-143.2	116.3	162	0	0	0	0	0	108.9
749	R	27	Very low	27.4	Very low	234 Å²	234	149.5 Å²	149.5	88%	0.883	79%	0.791	S	S	*	*			trans	-171	132.7	157.1	-120.7	-179.9	-178.8	-173.2	-1.2	114.1
750	S	26.1	Very low	27.6	Very low	110 Å²	110	147.3 Å²	147.3	77%	0.769	79%	0.787	S	S	*	*			trans	38.8	120.1	139.7	61.5	0	0	0	0	120.6
751	G	28	Very low	27.6	Very low	80 Å²	80	148.5 Å²	148.5	83%	0.825	79%	0.79	S	S	*	*			trans	-150.2	55.8	167.4	0	0	0	0	0	114.1
752	K	32.7	Very low	27.7	Very low	214 Å²	214	152 Å²	152	93%	0.93	79%	0.791	S	S	*	*			trans	-78.2	130.5	166.4	-75.7	-171.9	177.4	-175	0	109.7
753	S	29.2	Very low	27.8	Very low	94 Å²	94	153.9 Å²	153.9	66%	0.657	79%	0.788	S	S	*	*			trans	-159.8	131.5	156.9	57.8	0	0	0	0	113.4
754	N	29.9	Very low	27.8	Very low	144 Å²	144	152.6 Å²	152.6	77%	0.77	78%	0.783	S	S	*	*			trans	70.8	146.2	144.6	-58	-13.2	0	0	0	118.6
755	L	29.5	Very low	28	Very low	126 Å²	126	149.5 Å²	149.5	66%	0.66	78%	0.781	S	S	*	*			cis	-155.8	152	-3.2	-147.5	69.8	0	0	0	112.6
756	R	31.2	Very low	28.1	Very low	208 Å²	208	144.1 Å²	144.1	79%	0.785	78%	0.778	S	S	*	*			trans	76.7	152.1	157.5	-64	-157	170.3	151.2	2.5	120.4
757	Q	29.8	Very low	28.1	Very low	152 Å²	152	143.1 Å²	143.1	71%	0.71	79%	0.785	S	S	*	*			cis	-174.5	134.4	-30.5	-151.9	172	-37.4	0	0	106.4
758	V	29.3	Very low	28.2	Very low	109 Å²	109	137.7 Å²	137.7	66%	0.661	78%	0.779	S	S	*	*				177	159.8	87.9	160.6	0	0	0	0	108.4
759	E	27.4	Very low	28.4	Very low	187 Å²	187	141 Å²	141	87%	0.874	79%	0.786	S	S	*	*			trans	-17.4	162.9	169.7	-61.4	155	143.2	0	0	120.5
760	G	30.3	Very low	28.2	Very low	71 Å²	71	133 Å²	133	73%	0.732	78%	0.776	S	S	*	*			cis	163.3	162	5.1	0	0	0	0	0	108.6
761	T	26.6	Very low	29.8	Very low	128 Å²	128	133.2 Å²	133.2	79%	0.785	78%	0.775	S	S	*	*			cis	-164.5	147.3	11.9	37.1	0	0	0	0	111.7
762	K	28.9	Very low	29.7	Very low	183 Å²	183	136.3 Å²	136.3	80%	0.796	77%	0.773	S	S	*	*			trans	51.3	154	145.6	-72.1	176.6	174.5	176.2	0	120.5
763	M	26.2	Very low	29.3	Very low	160 Å²	160	132 Å²	132	79%	0.788	76%	0.764	S	S	*	*			cis	-158.8	114.6	12.3	-135.3	157	171.6	0	0	114.6
764	N	28.9	Very low	29.1	Very low	146 Å²	146	132.9 Å²	132.9	78%	0.781	77%	0.765	S	S	*	*			trans	28.4	154.1	131.7	-137	29.5	0	0	0	125.9
765	I	28.4	Very low	28.9	Very low	159 Å²	159	134.7 Å²	134.7	82%	0.815	77%	0.769	S	S	*	*			trans	85.5	144.4	161.6	-53.5	161.6	0	0	0	115.9
766	G	25.1	Very low	28.6	Very low	70 Å²	70	133.4 Å²	133.4	72%	0.722	78%	0.777	S	S	*	*			cis	168.5	173.3	-7.8	0	0	0	0	0	116.1
767	V	27.2	Very low	28.5	Very low	150 Å²	150	132.4 Å²	132.4	91%	0.909	78%	0.781	S	S	*	*			trans	-43.9	143.8	-176.8	-179.2	0	0	0	0	118.5
768	A	27.6	Very low	29.1	Very low	97 Å²	97	131 Å²	131	80%	0.802	79%	0.785	S	S	*	*			trans	-167.9	169	148.5	0	0	0	0	0	115.7
769	T	26.8	Very low	28.9	Very low	138 Å²	138	129.5 Å²	129.5	85%	0.847	79%	0.792	S	S	*	*			trans	-98.9	168.9	172.2	52.1	0	0	0	0	112.6
770	G	24	Very low	29.1	Very low	66 Å²	66	127 Å²	127	68%	0.68	80%	0.795	S	S	*	*			trans	-83.1	-166.2	163.4	0	0	0	0	0	113.3
771	P	59.2	Low	29	Very low	115 Å²	115	126.2 Å²	126.2	75%	0.747	79%	0.787	S	S	*	*			cis	-130.7	-168.7	0.2	42.9	-26.9	0	0	0	114.9
772	N	25.2	Very low	29.3	Very low	146 Å²	146	126.2 Å²	126.2	78%	0.781	79%	0.787	S	S	*	*			trans	81.1	128.3	153.3	-79.1	-7	0	0	0	123.2
773	V	25	Very low	29.6	Very low	123 Å²	123	124 Å²	124	75%	0.745	78%	0.784	S	S	*	*				90.3	111	125.7	166.1	0	0	0	0	122.5
774	V	25.5	Very low	29.7	Very low	113 Å²	113	123.4 Å²	123.4	69%	0.685	78%	0.784	S	S	*	*			trans	91.9	137	134	153.8	0	0	0	0	124.3
775	E	24	Very low	29.8	Very low	181 Å²	181	124.1 Å²	124.1	85%	0.846	79%	0.786	S	S	*	*			trans	37.2	139.6	158.2	-66.5	172.1	119.4	0	0	121.5
776	A	24.4	Very low	30.6	Very low	100 Å²	100	122.4 Å²	122.4	83%	0.826	79%	0.786	S	S	*	*				-171.4	-179.3	54.5	0	0	0	0	0	113.9
777	Q	28.5	Very low	30.7	Very low	186 Å²	186	125.3 Å²	125.3	87%	0.869	79%	0.789	S	S	*	*			trans	-100.1	-162.7	177.6	-55.2	-174.6	-31.3	0	0	111.7
778	P	43.4	Very low	30.7	Very low	122 Å²	122	125.4 Å²	125.4	79%	0.792	78%	0.783	S	S	*	*			cis	-145.2	171.9	-3.8	42.5	-22.8	0	0	0	119.8
779	G	25.1	Very low	30.7	Very low	79 Å²	79	130.9 Å²	130.9	81%	0.814	78%	0.783	S	S	*	*			trans	86.2	169.2	149.1	0	0	0	0	0	119.6
780	S	30.9	Very low	30.7	Very low	133 Å²	133	130.3 Å²	130.3	93%	0.93	77%	0.774	S	S	*	*			cis	-173.2	150.5	-23.9	-168.5	0	0	0	0	111.7
781	G	28.8	Very low	30.9	Very low	55 Å²	55	134.3 Å²	134.3	57%	0.567	79%	0.786	S	S	*	*			trans	116	117.4	168.2	0	0	0	0	0	116.6
782	T	32.8	Very low	29.3	Very low	129 Å²	129	137 Å²	137	79%	0.791	79%	0.788	S	S	*	*				72.5	137.1	81.1	57.6	0	0	0	0	115.4
783	N	33.7	Very low	29.6	Very low	135 Å²	135	136.9 Å²	136.9	72%	0.722	79%	0.793	S	S	*	*			cis	-166.6	164.4	9.7	-116.9	-0.8	0	0	0	114.9
784	N	29.3	Very low	29.8	Very low	149 Å²	149	138.3 Å²	138.3	80%	0.797	80%	0.796	S	S	*	*			trans	79.8	145.5	153.3	-61	-12.8	0	0	0	122.7
785	I	30.4	Very low	29.9	Very low	160 Å²	160	136.8 Å²	136.8	82%	0.821	80%	0.803	S	S	*	*			trans	-150.2	145.1	-173.6	-65.3	161.1	0	0	0	110.9
786	P	46.5	Very low	30.1	Very low	124 Å²	124	132.7 Å²	132.7	81%	0.805	80%	0.8	S	S	*	*			trans	-119.7	-175.9	160.1	25.3	-5.2	0	0	0	115.3
787	V	27	Very low	30.4	Very low	131 Å²	131	133.7 Å²	133.7	79%	0.794	80%	0.796	S	S	*	*			trans	-141.6	160.3	-165.5	-174.5	0	0	0	0	110.4
788	I	27.7	Very low	30.5	Very low	152 Å²	152	132.7 Å²	132.7	78%	0.779	80%	0.797	S	S	*	*			trans	149.7	131	135.5	-77.9	171.1	0	0	0	117.4
789	R	26.5	Very low	29.7	Very low	212 Å²	212	129.8 Å²	129.8	80%	0.8	79%	0.788	S	S	*	*			trans	29.6	144	149.4	-72.6	-175.1	154.9	126.3	0	127.2
790	D	27.5	Very low	30	Very low	125 Å²	125	135.7 Å²	135.7	67%	0.668	80%	0.795	S	S	*	*				40.6	131.5	128.9	-44.3	-31.3	0	0	0	123
791	T	26.9	Very low	30.1	Very low	150 Å²	150	134.1 Å²	134.1	92%	0.92	79%	0.789	S	S	*	*				-173.6	157	122	16	0	0	0	0	115.1
792	H	27.4	Very low	30.1	Very low	171 Å²	171	135.2 Å²	135.2	79%	0.792	80%	0.801	S	S	*	*			trans	-82.3	153.8	170.1	-82.9	-112.2	0	0	0	113
793	V	30.1	Very low	30	Very low	145 Å²	145	135 Å²	135	88%	0.879	80%	0.799	S	S	*	*			trans	-140.5	143.9	147	-177.9	0	0	0	0	109.9
794	N	28.8	Very low	29.9	Very low	152 Å²	152	135.9 Å²	135.9	81%	0.813	81%	0.809	S	S	*	*			trans	-97.6	157.9	-179.6	-73	-36.7	0	0	0	113.1
795	G	27.7	Very low	30	Very low	81 Å²	81	133.6 Å²	133.6	84%	0.835	81%	0.805	S	S	*	*			trans	-155.1	113.5	165.7	0	0	0	0	0	112.6
796	A	29.8	Very low	29.9	Very low	96 Å²	96	130 Å²	130	79%	0.793	81%	0.807	S	S	*	*			trans	-104.9	-176.9	170.3	0	0	0	0	0	108.7
797	V	29.4	Very low	29	Very low	121 Å²	121	127.6 Å²	127.6	73%	0.733	81%	0.805	S	S	*	*			cis	-157.6	136.9	27.1	179	0	0	0	0	109.3
798	N	30	Very low	29.2	Very low	165 Å²	165	125.7 Å²	125.7	88%	0.882	80%	0.803	S	S	*	*			trans	163	148.3	130.9	-95	-43.5	0	0	0	112
799	G	28.5	Very low	29.2	Very low	60 Å²	60	125.9 Å²	125.9	62%	0.619	81%	0.805	S	S	*	*			trans	-156.4	171.4	168.7	0	0	0	0	0	110.5
800	H	30.8	Very low	29.4	Very low	204 Å²	204	122 Å²	122	94%	0.944	81%	0.805	S	S	*	*			trans	-145.1	150.3	166.7	-107.6	46.8	0	0	0	109.4
801	A	32.6	Very low	29.5	Very low	99 Å²	99	122.4 Å²	122.4	82%	0.818	81%	0.812	S	S	*	*			trans	-118.9	157.8	-173.9	0	0	0	0	0	111.8
802	G	29.4	Very low	29.6	Very low	78 Å²	78	124.7 Å²	124.7	80%	0.804	81%	0.812	S	S	*	*			trans	-150.4	131.6	170.1	0	0	0	0	0	110
803	V	30.6	Very low	29.6	Very low	124 Å²	124	124 Å²	124	75%	0.752	81%	0.814	S	S	*	*			trans	-139.7	123.3	-168.9	174.3	0	0	0	0	110.8
804	V	31.2	Very low	29.4	Very low	154 Å²	154	120.5 Å²	120.5	93%	0.933	81%	0.807	S	S	*	*			trans	-151.9	151.2	170.9	-174.6	0	0	0	0	109.2
805	S	31.7	Very low	29.4	Very low	102 Å²	102	118.5 Å²	118.5	71%	0.713	81%	0.805	S	S	*	*				-159.4	70.8	-103.5	-69.6	0	0	0	0	113.6
806	G	28.3	Very low	29.4	Very low	84 Å²	84	121.2 Å²	121.2	87%	0.866	81%	0.805	S	S	*	*			trans	162.5	155	173.8	0	0	0	0	0	113.9
807	G	28.2	Very low	29.2	Very low	74 Å²	74	122.3 Å²	122.3	76%	0.763	80%	0.804	S	S	*	*			cis	166.8	153.1	-5.1	0	0	0	0	0	112.3
808	A	29.9	Very low	29	Very low	91 Å²	91	123.5 Å²	123.5	75%	0.752	81%	0.805	S	S	*	*			trans	68.8	119.1	-170	0	0	0	0	0	114.5
809	D	28.8	Very low	28.8	Very low	156 Å²	156	125.8 Å²	125.8	83%	0.834	80%	0.802	S	S	*	*				76.3	130.5	58.5	-61.7	-47	0	0	0	111.7
810	V	30	Very low	28.7	Very low	131 Å²	131	128 Å²	128	79%	0.794	80%	0.804	S	S	*	*			cis	-147.4	138.4	37.5	165.8	0	0	0	0	113.2
811	V	30.1	Very low	28.4	Very low	133 Å²	133	125.9 Å²	125.9	81%	0.806	80%	0.799	S	S	*	*			trans	40.1	117.4	155.5	-179	0	0	0	0	121
812	Q	27.8	Very low	28.1	Very low	197 Å²	197	128.2 Å²	128.2	92%	0.921	80%	0.798	S	S	*	*			trans	-136.5	146.6	147.5	-168.7	179.7	34.6	0	0	107.5
813	N	27.8	Very low	27.9	Very low	157 Å²	157	129.5 Å²	129.5	84%	0.84	80%	0.795	S	S	*	*			trans	-149.9	116.5	-174.9	-159.2	15.2	0	0	0	113.6
814	G	26.8	Very low	27.7	Very low	71 Å²	71	134.7 Å²	134.7	73%	0.732	80%	0.801	S	S	*	*			trans	78	137.4	176.1	0	0	0	0	0	115.8
815	S	27.1	Very low	27.5	Very low	110 Å²	110	135.8 Å²	135.8	77%	0.769	80%	0.8	S	S	*	*			cis	-163.4	150.3	-7.5	56.1	0	0	0	0	112.7
816	V	27.7	Very low	27.4	Very low	139 Å²	139	136.7 Å²	136.7	84%	0.842	81%	0.806	S	S	*	*			trans	72.1	114.5	167.4	-169.1	0	0	0	0	118.2
817	P	27.1	Very low	27.3	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	80%	0.804	S	S	*	*			trans	-123.5	137.7	165.9	37.4	-24.5	0	0	0	115.5
818	L	25.2	Very low	27.3	Very low	146 Å²	146	140.2 Å²	140.2	76%	0.764	81%	0.805	S	S	*	*			trans	61.7	139.2	134	-141.6	77.9	0	0	0	122.9
819	R	25.6	Very low	27.1	Very low	213 Å²	213	142.7 Å²	142.7	80%	0.804	81%	0.805	S	S	*	*			trans	85.7	149	159	-55.5	-163.3	169	171.4	-3.7	117.7
820	T	25.3	Very low	26.9	Very low	108 Å²	108	142.6 Å²	142.6	66%	0.663	80%	0.803	S	S	*	*			cis	-151.1	164.1	-3.4	-3.6	0	0	0	0	109.8
821	D	25	Very low	26.8	Very low	159 Å²	159	143.2 Å²	143.2	85%	0.85	81%	0.807	S	S	*	*				-176.6	149.5	115.4	-94.7	-9	0	0	0	113.7
822	D	26.6	Very low	26.5	Very low	147 Å²	147	141.2 Å²	141.2	79%	0.786	80%	0.804	S	S	*	*			trans	-99.3	138.1	172.8	-75.4	-67.2	0	0	0	110.5
823	S	25.4	Very low	26.7	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	79%	0.794	S	S	*	*				158.2	130.7	124.4	-76.6	0	0	0	0	115.6
824	R	27.1	Very low	27	Very low	234 Å²	234	134.2 Å²	134.2	88%	0.883	79%	0.787	S	S	*	*			trans	43.2	106.6	137.1	-64	173.3	155.2	176.5	-6.8	119.5
825	L	25.7	Very low	27.4	Very low	177 Å²	177	136.9 Å²	136.9	93%	0.927	78%	0.784	S	S	*	*			trans	-134.9	150.6	131.1	-81.1	-177.7	0	0	0	110.2
826	S	28.9	Very low	28.1	Very low	120 Å²	120	136 Å²	136	84%	0.839	77%	0.768	S	S	*	*			trans	-77.9	135.4	-176.5	-52.8	0	0	0	0	111.8
827	L	26.9	Very low	28.4	Very low	157 Å²	157	138.2 Å²	138.2	82%	0.822	77%	0.769	S	S	*	*			trans	-97.9	93.8	171.6	-132.8	77.9	0	0	0	110.7
828	G	27.8	Very low	28.4	Very low	76 Å²	76	140 Å²	140	78%	0.784	77%	0.767	S	S	*	*			trans	-89.8	97.9	157.6	0	0	0	0	0	108.1
829	L	25.9	Very low	28.6	Very low	143 Å²	143	139.4 Å²	139.4	75%	0.749	77%	0.772	S	S	*	*			trans	-100.2	99.6	-175.2	-162.7	73	0	0	0	110.8
830	I	25.2	Very low	28.5	Very low	154 Å²	154	136.2 Å²	136.2	79%	0.79	77%	0.77	S	S	*	*			trans	-69	133.1	171.2	-62.6	171.3	0	0	0	108.6	A832	I830-A832 PolarHBondContact O-N 3.49Å
831	T	28.4	Very low	28.5	Very low	143 Å²	143	139.2 Å²	139.2	88%	0.877	78%	0.781	S	S	*	*			trans	-75.2	107.9	177.4	37.1	0	0	0	0	111.2
832	A	23.5	Very low	28.4	Very low	91 Å²	91	137.6 Å²	137.6	75%	0.752	78%	0.783	S	S	*	*			trans	-101.1	134.8	168.2	0	0	0	0	0	110.3	I830	I830-A832 PolarHBondContact O-N 3.49Å
833	S	31.9	Very low	28.5	Very low	99 Å²	99	141.6 Å²	141.6	69%	0.692	79%	0.787	S	S	*	*			trans	-71.1	146.8	164	-163.3	0	0	0	0	109.4
834	P	33.6	Very low	28.6	Very low	108 Å²	108	144.8 Å²	144.8	70%	0.701	79%	0.79	S	S	*	*				-144.8	143.9	105.5	36.2	-21.3	0	0	0	116
835	D	35.6	Very low	28.6	Very low	127 Å²	127	145.3 Å²	145.3	68%	0.679	79%	0.792	S	S	*	*			trans	58.2	130.1	135.6	-61.8	6.2	0	0	0	121
836	E	42.6	Very low	28.7	Very low	91 Å²	91	145.7 Å²	145.7	43%	0.425	79%	0.789	S	S	.	*				74.8	109.9	52.8	-71.3	-102.8	70.9	0	0	113.8	H444	H444-E836 WeakPolarHBondContact CE1-CG 3.38Å; H444-E836 IonicContact CE1-OE1 3.25Å; H444-E836 PolarHBondContact CE1-OE1 3.34Å; H444-E836 IonicContact CE1-OE2 3.85Å; H444-E836 PolarHBondContact CE1-OE2 2.76Å; H444-E836 VanDerWaalsContact CE1-OE2 3.26Å; H444-E836 IonicContact CG-OE2 3.15Å; H444-E836 WeakPolarHBondContact ND1-CG 3.34Å; H444-E836 IonicContact ND1-OE1 2.76Å; H444-E836 IonicContact ND1-OE2 3.47Å; H444-E836 PolarHBondContact ND1-OE2 3.46Å
837	H	32.8	Very low	28.6	Very low	187 Å²	187	147.9 Å²	147.9	87%	0.866	79%	0.786	S	S	*	*			trans	-141.5	127.4	159.9	-81.1	-15.8	0	0	0	110.4
838	E	28.3	Very low	28.9	Very low	156 Å²	156	146 Å²	146	73%	0.729	78%	0.783	S	S	*	*			trans	-72.6	158.9	170.7	-77.2	-164.6	129.1	0	0	113	L840	E838-L840 PolarHBondContact O-N 3.25Å; E838-L840 VanDerWaalsContact O-N 3.13Å
839	P	28.7	Very low	28.9	Very low	132 Å²	132	149.6 Å²	149.6	86%	0.857	78%	0.784	S	S	*	*			trans	-80.4	77.7	165.7	35	-34.3	0	0	0	111.7	L841	P839-L841 VanDerWaalsContact C-N 3.33Å; P839-L841 PolarHBondContact O-N 3.05Å
840	L	23.9	Very low	29	Very low	147 Å²	147	146.6 Å²	146.6	77%	0.77	78%	0.78	S	S	*	*			trans	-72.5	77.9	174.2	-75.7	177.1	0	0	0	113	E838	E838-L840 PolarHBondContact O-N 3.25Å; E838-L840 VanDerWaalsContact O-N 3.13Å
841	L	25.1	Very low	29.2	Very low	170 Å²	170	150.7 Å²	150.7	89%	0.89	79%	0.785	S	S	*	*			trans	-148.7	79.3	155.6	-85.3	-168.6	0	0	0	112.5	P839	P839-L841 VanDerWaalsContact C-N 3.33Å; P839-L841 PolarHBondContact O-N 3.05Å
842	S	23.1	Very low	29.2	Very low	126 Å²	126	148.8 Å²	148.8	88%	0.881	78%	0.784	S	S	*	*			trans	-110.5	113.4	150.6	51.6	0	0	0	0	108.7
843	R	27.9	Very low	29.4	Very low	231 Å²	231	148.8 Å²	148.8	87%	0.872	79%	0.785	S	S	*	*			trans	-115.2	135.8	164.7	-178.1	175.6	172.8	109.8	7	108.3
844	E	27.2	Very low	29.9	Very low	172 Å²	172	149.3 Å²	149.3	80%	0.804	79%	0.785	S	S	*	*			trans	-59.6	149.9	-176.1	-64.8	134.3	106.6	0	0	113.2
845	R	26.8	Very low	29.6	Very low	245 Å²	245	150 Å²	150	93%	0.925	79%	0.793	S	S	*	*			trans	-111.3	101.6	160.6	-171.8	179.2	-166.9	167.6	5.3	107.1
846	E	28.2	Very low	29.2	Very low	184 Å²	184	147.7 Å²	147.7	86%	0.86	80%	0.799	S	S	*	*			trans	-56.7	143.5	179.5	-70.3	178.3	102	0	0	111.9
847	Q	27.6	Very low	28.4	Very low	167 Å²	167	150.5 Å²	150.5	78%	0.78	82%	0.822	S	S	*	*			trans	-105.2	127.8	-176.2	178.4	-178.7	5.8	0	0	110.4
848	P	33	Very low	28.2	Very low	118 Å²	118	146 Å²	146	77%	0.766	82%	0.817	S	S	*	*			trans	-94.4	126.3	160.2	32.8	-27.7	0	0	0	110.7
849	D	26.8	Very low	28.3	Very low	151 Å²	151	142.9 Å²	142.9	81%	0.807	82%	0.818	S	S	*	*			trans	-66.1	137	169.1	-97.6	-46.9	0	0	0	112.1
850	A	29.8	Very low	28.2	Very low	79 Å²	79	144.1 Å²	144.1	65%	0.653	81%	0.814	S	S	*	*				173.4	124.8	124.6	0	0	0	0	0	115
851	R	29.1	Very low	28.4	Very low	240 Å²	240	147.4 Å²	147.4	91%	0.906	82%	0.817	S	S	*	*			trans	59.2	121.1	136.2	-61.5	175.5	178.6	159.9	1.4	121.2
852	A	28.9	Very low	28.6	Very low	103 Å²	103	144.4 Å²	144.4	85%	0.851	81%	0.81	S	S	*	*			trans	78.9	132.1	139.5	0	0	0	0	0	120.6
853	A	26.6	Very low	29.1	Very low	92 Å²	92	142.9 Å²	142.9	76%	0.76	81%	0.805	S	S	*	*			trans	-69.8	169.2	160.2	0	0	0	0	0	110.6
854	P	42.4	Very low	29.1	Very low	109 Å²	109	143.6 Å²	143.6	71%	0.708	81%	0.807	S	S	*	*			cis	-149	178.5	27.3	44.2	-24.6	0	0	0	119.1
855	S	28.1	Very low	30.3	Very low	123 Å²	123	140.7 Å²	140.7	86%	0.86	80%	0.804	S	S	*	*			trans	69.1	154.7	152.3	74	0	0	0	0	119.3
856	G	26.2	Very low	30.6	Very low	78 Å²	78	136.2 Å²	136.2	80%	0.804	80%	0.798	S	S	*	*			trans	158.9	117.6	170.9	0	0	0	0	0	113.8
857	V	27.2	Very low	31	Very low	150 Å²	150	132.8 Å²	132.8	91%	0.909	79%	0.79	S	S	*	*			trans	-82.4	155.6	175.9	176.4	0	0	0	0	110.5
858	A	28	Very low	31.3	Very low	92 Å²	92	131 Å²	131	76%	0.76	79%	0.785	S	S	*	*			trans	-63.7	154.6	177.5	0	0	0	0	0	114.2
859	A	30.1	Very low	31.5	Very low	91 Å²	91	131.2 Å²	131.2	75%	0.752	78%	0.78	S	S	*	*				168.4	140.1	112	0	0	0	0	0	115.9
860	M	26.9	Very low	32.1	Very low	159 Å²	159	130.5 Å²	130.5	78%	0.783	78%	0.776	S	S	*	*			trans	75.1	133.9	142.2	-81.3	-159.6	-175.3	0	0	124.9
861	R	28.2	Very low	32.6	Very low	216 Å²	216	134.3 Å²	134.3	82%	0.815	79%	0.786	S	S	*	*			trans	84.2	105.8	134.6	-77.8	175.4	179.9	-162.9	-1.3	122
862	S	28.5	Very low	32.9	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	79%	0.785	S	S	*	*				63.7	106.6	105.3	-172.7	0	0	0	0	120.9
863	A	34.2	Very low	33.3	Very low	94 Å²	94	131.3 Å²	131.3	78%	0.777	78%	0.784	S	S	*	*				50.2	139.1	129.8	0	0	0	0	0	122.8
864	R	27.5	Very low	33.9	Very low	245 Å²	245	133.4 Å²	133.4	93%	0.925	79%	0.787	S	S	*	*			trans	-143.4	142.8	158.4	-75.4	-173.6	174.9	-175.2	-1.2	110.7
865	P	51.9	Low	33.5	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	79%	0.788	S	S	*	*			trans	-115.3	155.5	169.5	39	-30.4	0	0	0	114.1
866	N	33	Very low	33.9	Very low	150 Å²	150	134.6 Å²	134.6	80%	0.802	79%	0.794	S	S	*	*			trans	55.7	160	143.2	-71.9	2.7	0	0	0	120.7
867	T	36.9	Very low	34.3	Very low	112 Å²	112	134.3 Å²	134.3	69%	0.687	79%	0.79	S	S	*	*			cis	-162.8	174	8	-3.7	0	0	0	0	113.2
868	N	34.7	Very low	34.7	Very low	129 Å²	129	137.1 Å²	137.1	69%	0.69	79%	0.793	S	S	*	*			trans	101.5	113.1	141.3	-74.9	-5.3	0	0	0	124.9
869	N	37.1	Very low	35.1	Very low	123 Å²	123	135.8 Å²	135.8	66%	0.658	79%	0.789	S	S	*	*				78.7	112.2	120	-66.9	-3	0	0	0	126.9
870	N	38.8	Very low	35.3	Very low	136 Å²	136	139.9 Å²	139.9	73%	0.727	80%	0.798	S	S	*	*				69.5	111.8	116.4	-63	-5.6	0	0	0	126.1
871	N	39.9	Very low	35.5	Very low	160 Å²	160	135.8 Å²	135.8	86%	0.856	80%	0.797	S	S	*	*				47.6	136.7	119.9	-78.8	1.6	0	0	0	125.5
872	S	36.6	Very low	35.7	Very low	126 Å²	126	133 Å²	133	88%	0.881	80%	0.798	S	S	*	*			trans	-159.8	172.3	139.8	46.3	0	0	0	0	111.4
873	N	36.8	Very low	35.8	Very low	154 Å²	154	132.8 Å²	132.8	82%	0.824	80%	0.796	S	S	*	*			trans	-153.7	179.2	-159	-165.3	7.8	0	0	0	114.7
874	T	39.1	Very low	35.6	Very low	135 Å²	135	132.1 Å²	132.1	83%	0.828	80%	0.799	S	S	*	*			trans	91.3	142.9	171.9	71.8	0	0	0	0	118
875	G	33.4	Very low	35.5	Very low	71 Å²	71	123.9 Å²	123.9	73%	0.732	79%	0.79	S	S	*	*			cis	172.6	173.5	-9.5	0	0	0	0	0	115.8
876	L	36.7	Very low	34.5	Very low	187 Å²	187	127.8 Å²	127.8	98%	0.979	80%	0.798	S	S	*	*			trans	87.9	112.3	170.4	-61	171.2	0	0	0	121.6
877	G	34.2	Very low	34.5	Very low	71 Å²	71	125.7 Å²	125.7	73%	0.732	80%	0.796	S	S	*	*				116.4	94	122.1	0	0	0	0	0	122.4
878	Q	37.3	Very low	34.2	Very low	209 Å²	209	128.4 Å²	128.4	98%	0.977	81%	0.806	S	S	*	*			trans	56.4	144.8	153.1	-64.3	174	-40.6	0	0	119.8
879	G	34.5	Very low	34.1	Very low	65 Å²	65	125.5 Å²	125.5	67%	0.67	81%	0.807	S	S	*	*			cis	173.3	149.7	-7.9	0	0	0	0	0	111.8
880	D	36.1	Very low	33.7	Very low	177 Å²	177	123.7 Å²	123.7	95%	0.947	82%	0.817	S	S	*	*			trans	48.5	143.7	164.7	-46.1	-28	0	0	0	120.9
881	G	31.3	Very low	33.4	Very low	73 Å²	73	126 Å²	126	75%	0.753	82%	0.824	S	S	*	*			cis	166.9	168.5	-7.1	0	0	0	0	0	113.6
882	N	30.9	Very low	33.2	Very low	158 Å²	158	127 Å²	127	85%	0.845	82%	0.823	S	S	*	*			trans	88.1	130.8	160.4	-141.8	56.1	0	0	0	123
883	S	31.6	Very low	33.1	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	82%	0.821	S	S	*	*			trans	52.2	124.6	144	66.4	0	0	0	0	125.7
884	G	28.6	Very low	32.7	Very low	81 Å²	81	125.7 Å²	125.7	84%	0.835	82%	0.818	S	S	*	*				103.6	154.1	103.3	0	0	0	0	0	121.1
885	G	27.3	Very low	32.3	Very low	71 Å²	71	124.8 Å²	124.8	73%	0.732	82%	0.817	S	S	*	*			trans	87.4	133.2	173.7	0	0	0	0	0	114.3
886	E	30.7	Very low	32.1	Very low	194 Å²	194	125.9 Å²	125.9	91%	0.907	82%	0.819	S	S	*	*			cis	81.9	146.3	22.4	-61.2	-167.3	99.6	0	0	118.1
887	S	32.2	Very low	31.8	Very low	107 Å²	107	126.7 Å²	126.7	75%	0.748	82%	0.818	S	S	*	*			trans	54.1	110.9	172.3	56.7	0	0	0	0	119.8
888	D	31.8	Very low	31.4	Very low	168 Å²	168	126.2 Å²	126.2	90%	0.898	81%	0.813	S	S	*	*				-170.4	170.6	98.6	-107.3	-22.9	0	0	0	109.4
889	G	32.5	Very low	31.1	Very low	69 Å²	69	123 Å²	123	71%	0.711	81%	0.808	S	S	*	*			cis	124.7	131.1	13.5	0	0	0	0	0	108.9
890	G	27.8	Very low	30.8	Very low	84 Å²	84	124.3 Å²	124.3	87%	0.866	81%	0.807	S	S	*	*			trans	-174.8	62.3	-165.8	0	0	0	0	0	118.5
891	E	32.8	Very low	30.5	Very low	186 Å²	186	125.7 Å²	125.7	87%	0.869	80%	0.799	S	S	*	*			trans	-97.2	168	153.7	-60.7	173.5	148.3	0	0	107.4
892	E	36	Very low	30.5	Very low	180 Å²	180	128.5 Å²	128.5	84%	0.841	79%	0.792	S	S	*	*			cis	-154	-154.7	7.6	-146.4	-174.3	-172.8	0	0	111.5
893	E	34.3	Very low	30.6	Very low	179 Å²	179	126.3 Å²	126.3	84%	0.836	79%	0.785	S	S	*	*			trans	-69.9	172.8	-165.3	-62.5	-162	138.3	0	0	119.4
894	G	28.3	Very low	30.6	Very low	74 Å²	74	127.7 Å²	127.7	76%	0.763	79%	0.789	S	S	*	*			trans	-152.9	6.2	-176.3	0	0	0	0	0	121.2
895	S	29.8	Very low	30.7	Very low	116 Å²	116	126.5 Å²	126.5	81%	0.811	78%	0.777	S	S	*	*			trans	64.6	136.5	161.2	-58.3	0	0	0	0	124.2
896	A	29.4	Very low	30.9	Very low	94 Å²	94	132.4 Å²	132.4	78%	0.777	79%	0.785	S	S	*	*			trans	91.4	143.6	135	0	0	0	0	0	124.7
897	E	30	Very low	30.9	Very low	203 Å²	203	127.5 Å²	127.5	95%	0.949	77%	0.772	S	S	*	*			trans	60.6	144.3	167.8	-54.7	-168	153.4	0	0	118.9
898	G	27.5	Very low	30.8	Very low	62 Å²	62	128.1 Å²	128.1	64%	0.639	78%	0.777	S	S	*	*			cis	177.6	178.3	-4.5	0	0	0	0	0	112.5
899	T	29.6	Very low	30.7	Very low	140 Å²	140	123.1 Å²	123.1	86%	0.859	77%	0.765	S	S	*	*			trans	62.3	108.2	169.6	29	0	0	0	0	119
900	S	29.1	Very low	30.6	Very low	93 Å²	93	126.2 Å²	126.2	65%	0.65	78%	0.775	S	S	*	*				90.1	117.8	85.1	70.2	0	0	0	0	114.9
901	R	30	Very low	30.6	Very low	207 Å²	207	125.9 Å²	125.9	78%	0.781	77%	0.772	S	S	*	*				61.8	141.4	85.8	-66.3	179.6	75.8	146.5	14.9	113.7
902	E	31.6	Very low	30.5	Very low	131 Å²	131	123.4 Å²	123.4	61%	0.612	78%	0.775	S	S	*	*			cis	-170.2	173.1	-1.7	-115.6	173.5	166.3	0	0	109.1
903	T	32.1	Very low	30.4	Very low	112 Å²	112	119 Å²	119	69%	0.687	77%	0.77	S	S	*	*			cis	-113.6	-117.3	-3.2	-35.3	0	0	0	0	110.1
904	V	32.3	Very low	30.4	Very low	130 Å²	130	118.7 Å²	118.7	79%	0.788	77%	0.773	S	S	*	*			cis	-153.4	152.9	-7	-133.9	0	0	0	0	104.8
905	G	29.3	Very low	30.9	Very low	57 Å²	57	119 Å²	119	59%	0.588	77%	0.769	S	S	*	*			cis	98.1	121.6	11.1	0	0	0	0	0	111.4
906	E	32.7	Very low	30.9	Very low	195 Å²	195	121 Å²	121	91%	0.911	77%	0.77	S	S	*	*			cis	-145.1	-162.6	-3.3	-67.7	-164.5	61.4	0	0	108.3
907	S	30.5	Very low	32.8	Very low	91 Å²	91	121.8 Å²	121.8	64%	0.636	77%	0.768	S	S	*	*			cis	-162.6	150.8	10.5	58.5	0	0	0	0	114
908	S	30.3	Very low	34.1	Very low	120 Å²	120	117.3 Å²	117.3	84%	0.839	76%	0.756	S	S	*	*			trans	65.3	138.5	155	69.6	0	0	0	0	120.9
909	G	27.9	Very low	34.5	Very low	63 Å²	63	123.6 Å²	123.6	65%	0.649	76%	0.761	S	S	*	*			cis	154.2	148.4	-15	0	0	0	0	0	116
910	S	31	Very low	34.7	Very low	133 Å²	133	124.1 Å²	124.1	93%	0.93	75%	0.753	S	S	*	*			trans	60.2	156.1	160.9	66.8	0	0	0	0	119.4
911	G	28.8	Very low	34.7	Very low	78 Å²	78	123.5 Å²	123.5	80%	0.804	75%	0.754	S	S	*	*			cis	178.8	174.1	1	0	0	0	0	0	112
912	S	30.7	Very low	34.5	Very low	133 Å²	133	119.6 Å²	119.6	93%	0.93	75%	0.753	S	S	*	*			trans	-95.2	-173.2	-169.5	60.5	0	0	0	0	115.8
913	A	33.6	Very low	34.3	Very low	89 Å²	89	119.3 Å²	119.3	74%	0.736	76%	0.76	S	S	*	*			trans	-117.7	-177	-165.1	0	0	0	0	0	116.2
914	L	33.9	Very low	34.1	Very low	171 Å²	171	119.9 Å²	119.9	90%	0.895	76%	0.764	S	S	*	*			trans	95.6	142.8	154.8	-77	159.5	0	0	0	123.2
915	A	38.8	Very low	33.7	Very low	82 Å²	82	121 Å²	121	68%	0.678	76%	0.762	S	S	*	*			trans	74.4	152.9	155.2	0	0	0	0	0	119.7
916	D	29	Very low	33.5	Very low	156 Å²	156	128.7 Å²	128.7	83%	0.834	77%	0.773	S	S	*	*			cis	-154.8	173.4	5.5	-133	10	0	0	0	113.4
917	P	69.6	Low	33.2	Very low	112 Å²	112	122.2 Å²	122.2	73%	0.727	76%	0.759	S	S	*	*			trans	-93.5	-116.3	-172.9	38.3	-33	0	0	0	115.9
918	P	58.7	Low	33	Very low	109 Å²	109	127.1 Å²	127.1	71%	0.708	77%	0.772	S	S	*	*			cis	-136.2	-161.5	3.6	44.1	-22.6	0	0	0	116.9
919	R	35.8	Very low	32.8	Very low	194 Å²	194	125.1 Å²	125.1	73%	0.732	76%	0.763	S	S	*	*			trans	96.9	123.4	150.9	-85.2	176.3	179.1	-100.7	-4	125.1
920	E	32.4	Very low	32.7	Very low	150 Å²	150	129.3 Å²	129.3	70%	0.701	77%	0.77	S	S	*	*			trans	64.1	146.3	132.7	-71.7	164.3	161.6	0	0	122.3
921	A	29.3	Very low	32.3	Very low	81 Å²	81	129.3 Å²	129.3	67%	0.669	76%	0.759	S	S	*	*			cis	-165.4	163.2	-8.6	0	0	0	0	0	115.3
922	T	26.8	Very low	32.1	Very low	125 Å²	125	136 Å²	136	77%	0.767	76%	0.76	S	S	*	*			trans	65.2	117.2	149.7	45.3	0	0	0	0	125.3
923	V	27.3	Very low	31.7	Very low	125 Å²	125	137.8 Å²	137.8	76%	0.758	75%	0.753	S	S	*	*			trans	77.3	149.1	130.2	176.2	0	0	0	0	116.4
924	T	26.5	Very low	31.8	Very low	123 Å²	123	138.7 Å²	138.7	76%	0.755	75%	0.752	S	S	*	*			cis	-153.6	172.8	35	-18.5	0	0	0	0	116.3
925	M	25	Very low	31.5	Very low	153 Å²	153	141.7 Å²	141.7	75%	0.754	75%	0.751	S	S	*	*			trans	-8	171.7	149.5	-62.5	-91	-80.9	0	0	122.3
926	R	25.6	Very low	30.9	Very low	219 Å²	219	142.1 Å²	142.1	83%	0.826	76%	0.755	S	S	*	*			cis	176.5	140.8	-30.9	-175.1	-179.6	-171	-158.5	6.5	109.6
927	G	25.7	Very low	30.8	Very low	60 Å²	60	146.2 Å²	146.2	62%	0.619	76%	0.759	S	S	*	*			trans	137.9	133.6	172.1	0	0	0	0	0	112.3
928	E	26	Very low	28.8	Very low	193 Å²	193	150 Å²	150	90%	0.902	76%	0.759	S	S	*	*				82.6	135.7	55	-75.3	-172.1	-175.6	0	0	114.4
929	A	25.6	Very low	27.7	Very low	79 Å²	79	150.5 Å²	150.5	65%	0.653	76%	0.761	S	S	*	*			cis	-167.9	172.1	-14.9	0	0	0	0	0	114
930	L	25.6	Very low	27.3	Very low	151 Å²	151	148.1 Å²	148.1	79%	0.791	76%	0.759	S	S	*	*			trans	74.9	115.4	148.7	-64.6	165.7	0	0	0	124.6
931	L	24.4	Very low	27.5	Very low	133 Å²	133	151.8 Å²	151.8	70%	0.696	77%	0.766	S	S	*	*				96.3	137	121.1	-74.1	174.5	0	0	0	126.6
932	R	24.6	Very low	28	Very low	218 Å²	218	153.7 Å²	153.7	82%	0.823	77%	0.771	S	S	*	*			trans	87.7	103	143.7	-81.7	172.3	174.8	147	-0.4	123.1
933	Q	22.3	Very low	28.2	Very low	170 Å²	170	154.4 Å²	154.4	79%	0.794	77%	0.771	S	S	*	*				22	155.5	120.5	-78	-157.5	34.7	0	0	122
934	P	34.8	Very low	28.5	Very low	109 Å²	109	152.8 Å²	152.8	71%	0.708	77%	0.765	S	S	*	*			cis	-143	173.1	27.4	41	-21.1	0	0	0	119.8
935	R	27.2	Very low	28.6	Very low	233 Å²	233	153.8 Å²	153.8	88%	0.879	77%	0.765	S	S	*	*			trans	13.9	140	148	-73.7	174	173.6	161.7	-2.3	120.6
936	A	27.3	Very low	28.6	Very low	92 Å²	92	153.1 Å²	153.1	76%	0.76	77%	0.765	S	S	*	*			cis	-163.4	-144.9	-0.2	0	0	0	0	0	110.8
937	R	26.5	Very low	28.5	Very low	241 Å²	241	150.5 Å²	150.5	91%	0.909	77%	0.766	S	S	*	*			cis	-151.8	-95.9	17	-156.1	173.2	-173.7	179.1	1.9	118.1
938	R	26.6	Very low	28.5	Very low	193 Å²	193	152.2 Å²	152.2	73%	0.728	77%	0.769	S	S	*	*			trans	179.7	175	-162.8	-120.5	-177.8	163.5	146.3	7.4	110.6	E940	R938-E940 IonicContact CZ-OE2 2.68Å; R938-E940 IonicContact NE-OE2 2.72Å; R938-E940 PolarHBondContact NE-OE2 3.13Å; R938-E940 IonicContact NH2-OE1 2.65Å; R938-E940 PolarHBondContact NH2-OE1 2.96Å; R938-E940 IonicContact NH2-OE2 3.38Å; R938-E940 PolarHBondContact NH2-OE2 3.34Å
939	P	36	Very low	28.4	Very low	118 Å²	118	151.8 Å²	151.8	77%	0.766	76%	0.764	S	S	*	*			cis	-134.2	-163.7	-12.3	38.2	-19	0	0	0	113.8
940	E	27.9	Very low	28.4	Very low	145 Å²	145	153.7 Å²	153.7	68%	0.678	77%	0.767	S	S	*	*				-168.3	176.2	-59.9	-151.4	167.4	-179.4	0	0	110	R938	R938-E940 IonicContact CZ-OE2 2.68Å; R938-E940 IonicContact NE-OE2 2.72Å; R938-E940 PolarHBondContact NE-OE2 3.13Å; R938-E940 IonicContact NH2-OE1 2.65Å; R938-E940 PolarHBondContact NH2-OE1 2.96Å; R938-E940 IonicContact NH2-OE2 3.38Å; R938-E940 PolarHBondContact NH2-OE2 3.34Å
941	R	37	Very low	28.3	Very low	227 Å²	227	153.1 Å²	153.1	86%	0.857	77%	0.77	S	S	*	*			trans	-77.3	-179.5	-175.5	-99.4	176.8	-173	169.3	0.3	113.5
942	P	39.1	Very low	28.3	Very low	120 Å²	120	155.3 Å²	155.3	78%	0.779	78%	0.777	S	S	*	*			cis	-157.7	-162	43.6	47	-22.6	0	0	0	120.1
943	N	31.4	Very low	28.4	Very low	141 Å²	141	152.7 Å²	152.7	75%	0.754	78%	0.78	S	S	*	*			trans	-70	-165.2	-173.5	-47.5	-3	0	0	0	114.5
944	S	33	Very low	28.9	Very low	91 Å²	91	151.9 Å²	151.9	64%	0.636	78%	0.78	S	S	*	*			cis	-177.6	161	27.5	54.5	0	0	0	0	114.5
945	L	28.2	Very low	28.5	Very low	143 Å²	143	154 Å²	154	75%	0.749	79%	0.791	S	S	*	*			trans	64.5	139.2	149.9	-63.9	157	0	0	0	117
946	D	25.2	Very low	28.5	Very low	140 Å²	140	148.4 Å²	148.4	75%	0.749	79%	0.788	S	S	*	*			cis	87.3	148.3	40.9	-55.5	9.5	0	0	0	111.5
947	L	24.8	Very low	28.5	Very low	164 Å²	164	150.9 Å²	150.9	86%	0.859	79%	0.788	S	S	*	*			cis	-147	-146.4	26.2	-137.3	171.4	0	0	0	111.9
948	S	24.1	Very low	28.4	Very low	96 Å²	96	142.5 Å²	142.5	67%	0.671	78%	0.776	S	S	*	*			trans	-116.5	-169	-173.5	56.9	0	0	0	0	113.3
949	F	25.6	Very low	28.4	Very low	184 Å²	184	143.1 Å²	143.1	81%	0.807	79%	0.787	S	S	*	*			cis	-161.4	-155.7	21.1	-169.9	-126.7	0	0	0	111.9
950	T	24.4	Very low	27.8	Very low	118 Å²	118	140.4 Å²	140.4	72%	0.724	78%	0.78	S	S	*	*			trans	70.4	157.7	170.9	64	0	0	0	0	116.6
951	T	24.9	Very low	27.7	Very low	139 Å²	139	140.1 Å²	140.1	85%	0.853	78%	0.783	S	S	*	*			cis	-139.2	166.3	34.9	52.9	0	0	0	0	116.6
952	Q	24.4	Very low	27	Very low	180 Å²	180	133.9 Å²	133.9	84%	0.841	77%	0.77	S	S	*	*			trans	-148.1	121.7	164.6	178.9	178.7	28.5	0	0	108.6
953	D	24.9	Very low	26.8	Very low	163 Å²	163	134 Å²	134	87%	0.872	75%	0.754	S	S	*	*			trans	-169.1	156.1	148.2	-122.7	-27.9	0	0	0	111.2
954	L	34.1	Very low	27.2	Very low	152 Å²	152	128.5 Å²	128.5	80%	0.796	73%	0.727	S	S	*	*			trans	-118.8	141.7	-177.8	-88.2	77.6	0	0	0	112.5
955	T	25.6	Very low	27	Very low	153 Å²	153	128.6 Å²	128.6	94%	0.939	72%	0.72	S	S	*	*			trans	-140.2	149	150.4	40	0	0	0	0	110
956	S	28.3	Very low	27.3	Very low	117 Å²	117	123 Å²	123	82%	0.818	70%	0.697	S	S	*	*			trans	-122.6	123.2	-170.5	61	0	0	0	0	113.5
957	L	26.9	Very low	27.5	Very low	144 Å²	144	121.1 Å²	121.1	75%	0.754	70%	0.701	S	S	*	*			trans	-138.8	146.9	153.7	-83.2	162.6	0	0	0	105.3	V159	V159-L957 HydrophobicContact CG1-CD2 4.41Å
958	G	24.5	Very low	27.8	Very low	64 Å²	64	120.3 Å²	120.3	66%	0.66	70%	0.697	S	S	*	*			cis	160.5	143.7	4.6	0	0	0	0	0	106.9
959	E	25.6	Very low	28.6	Very low	206 Å²	206	118.6 Å²	118.6	96%	0.963	69%	0.694	S	S	*	*			trans	-56.5	150.7	-173.7	-61.9	159.3	116.5	0	0	112.6
960	G	23.7	Very low	29	Very low	61 Å²	61	116.6 Å²	116.6	63%	0.629	70%	0.697	S	S	*	*			cis	167.3	-132	6.8	0	0	0	0	0	110.2
961	L	25.1	Very low	29.2	Very low	140 Å²	140	114.7 Å²	114.7	73%	0.733	70%	0.701	S	S	*	*			trans	66.5	127.2	-171.7	-101.1	104.1	0	0	0	112.9	N90	N90-L961 PolarHBondContact ND2-O 2.83Å; N90-L961 VanDerWaalsContact ND2-O 3.11Å; N90-L961 VanDerWaalsContact OD1-C 3.27Å; N90-L961 WeakPolarHBondContact OD1-CB 3.46Å
962	V	24	Very low	29.7	Very low	95 Å²	95	117.2 Å²	117.2	58%	0.576	70%	0.703	S	S	*	*			cis	107.4	-169.8	35.6	173.7	0	0	0	0	110.7	N90	N90-V962 WeakPolarHBondContact CA-O 3.43Å; N90-V962 WeakPolarHBondContact CB-O 3.06Å; N90-V962 VanDerWaalsContact CG-O 3.25Å; N90-V962 PolarHBondContact N-O 2.03Å; N90-V962 VanDerWaalsContact N-O 3.13Å; N90-V962 WeakPolarHBondContact OD1-CA 3.47Å; N90-V962 PolarHBondContact OD1-N 3.34Å; N90-V962 PolarHBondContact OD1-O 3.37Å; N90-V962 VanDerWaalsContact OD1-O 3.04Å
963	R	34.9	Very low	30	Very low	122 Å²	122	117.8 Å²	117.8	46%	0.46	70%	0.703	S	S	.	*				-165	112.8	-127.8	-79.4	-152.9	147.5	-142.5	-21.4	117.5	L87 A88 D89	L87-R963 CarbonylContact C-O 3.53Å; L87-R963 WeakPolarHBondContact CA-O 3.3Å; L87-R963 VanDerWaalsContact O-CB 3.31Å; L87-R963 WeakPolarHBondContact O-CB 3.5Å; A88-R963 VanDerWaalsContact C-CG 3.4Å; A88-R963 VanDerWaalsContact CA-CB 3.44Å; A88-R963 PolarHBondContact N-O 3.38Å; A88-R963 WeakPolarHBondContact O-CD 3.36Å; A88-R963 VanDerWaalsContact O-CG 3.29Å; A88-R963 WeakPolarHBondContact O-CG 3.03Å; A88-R963 PolarHBondContact O-NE 2.82Å; A88-R963 PolarHBondContact O-NH1 2.93Å; A88-R963 PolarHBondContact O-NH2 2.78Å; D89-R963 VanDerWaalsContact CA-CA 3.42Å; D89-R963 IonicContact OD1-CZ 3.23Å; D89-R963 IonicContact OD1-NE 3.73Å; D89-R963 PolarHBondContact OD1-NE 3.14Å; D89-R963 IonicContact OD1-NH2 3.54Å; D89-R963 PolarHBondContact OD1-NH2 2.91Å; D89-R963 IonicContact OD2-CZ 2.74Å; D89-R963 IonicContact OD2-NH2 2.67Å; D89-R963 PolarHBondContact OD2-NH2 3.13Å
964	P	38.3	Very low	30.3	Very low	27 Å²	27	118.2 Å²	118.2	18%	0.175	70%	0.703	C	S	.	*			trans	-112.8	148.9	132.3	-25.2	42.6	0	0	0	121.8	H86 A88 D89 H91	H86-P964 WeakPolarHBondContact O-CA 3.3Å; H86-P964 VanDerWaalsContact O-CB 3.26Å; H86-P964 WeakPolarHBondContact O-CB 3.32Å; A88-P964 VanDerWaalsContact N-C 3.27Å; D89-P964 CarbonylContact C-O 3.51Å; D89-P964 WeakPolarHBondContact CA-O 3.36Å; D89-P964 PolarHBondContact N-O 3.03Å; D89-P964 WeakPolarHBondContact O-CD 3.48Å; H91-P964 WeakPolarHBondContact O-CD 3.26Å; H91-P964 WeakPolarHBondContact O-CG 3.37Å
965	D	29.9	Very low	30.1	Very low	92 Å²	92	120.1 Å²	120.1	49%	0.492	71%	0.705	S	S	.	*			trans	-149.8	-140.2	-179.6	-165.2	23.5	0	0	0	112.5	W84 H86 A88	W84-D965 WeakPolarHBondContact CZ2-O 3.46Å; H86-D965 VanDerWaalsContact CB-C 3.47Å; H86-D965 WeakPolarHBondContact CB-O 3.4Å; H86-D965 VanDerWaalsContact CG-C 3.43Å; H86-D965 VanDerWaalsContact ND1-C 3.29Å; A88-D965 HydrophobicContact CB-CB 3.25Å
966	G	33.8	Very low	30.5	Very low	25 Å²	25	122.9 Å²	122.9	26%	0.258	70%	0.704	S	S	.	*			cis	171.3	152.7	-5.5	0	0	0	0	0	114.4	H86	H86-G966 PolarHBondContact ND1-N 3.47Å
967	A	30.2	Very low	30.6	Very low	101 Å²	101	128.4 Å²	128.4	84%	0.835	71%	0.707	S	S	*	*			trans	-162.4	80.4	-177.6	0	0	0	0	0	116.8
968	L	31.1	Very low	30.6	Very low	148 Å²	148	127.7 Å²	127.7	78%	0.775	71%	0.708	S	S	*	*				61.9	93.6	91.8	-80.3	79.7	0	0	0	117.8
969	G	41.1	Very low	31	Very low	59 Å²	59	134.1 Å²	134.1	61%	0.608	72%	0.718	S	S	*	*			trans	-91.8	-159.3	132.7	0	0	0	0	0	110.9
970	T	33.8	Very low	31.3	Very low	142 Å²	142	129.4 Å²	129.4	87%	0.871	70%	0.704	S	S	*	*			trans	69.9	125.7	-178.1	75.3	0	0	0	0	116.3
971	G	29.1	Very low	31.9	Very low	79 Å²	79	132.2 Å²	132.2	81%	0.814	71%	0.71	S	S	*	*				-120.3	136.1	115.7	0	0	0	0	0	106.8
972	E	34.1	Very low	32.1	Very low	191 Å²	191	135.3 Å²	135.3	89%	0.893	71%	0.714	S	S	*	*			trans	-145	153	167.1	-145.3	170.2	-153.5	0	0	111.5
973	K	31.5	Very low	32.6	Very low	193 Å²	193	135.5 Å²	135.5	84%	0.839	72%	0.719	S	S	*	*			trans	-101.8	133.9	-165.7	-66.3	176.4	-179.7	175.6	0	110.9	K975	K973-K975 PolarHBondContact O-N 2.83Å
974	I	31.2	Very low	32.4	Very low	172 Å²	172	138 Å²	138	88%	0.882	74%	0.741	S	S	*	*			trans	-55.2	114.9	170.8	-60.4	171.2	0	0	0	109.3
975	K	29.8	Very low	32	Very low	192 Å²	192	145 Å²	145	84%	0.835	77%	0.769	S	S	*	*			trans	-126.5	119.9	162.9	-84	-169.3	172.3	-175.1	0	109	K973 R977	K973-K975 PolarHBondContact O-N 2.83Å; K975-R977 PolarHBondContact O-N 2.98Å
976	K	34.4	Very low	31.8	Very low	210 Å²	210	150.4 Å²	150.4	91%	0.913	79%	0.788	S	S	*	*			trans	-55.9	131.7	166	-62	-178	178.2	-175	0	108.4
977	R	29.4	Very low	31.6	Very low	233 Å²	233	159.5 Å²	159.5	88%	0.879	82%	0.815	S	S	*	*			trans	-114.4	113.4	171.5	179.7	177.7	-73.7	-135	4.3	109	K975	K975-R977 PolarHBondContact O-N 2.98Å
978	V	28	Very low	31.4	Very low	129 Å²	129	165.1 Å²	165.1	78%	0.782	81%	0.814	S	S	*	*			trans	-59	135.1	165.9	179.4	0	0	0	0	108.5	T980	V978-T980 HydrophobicContact CG1-CG2 4.22Å
979	K	32.1	Very low	31.3	Very low	200 Å²	200	164.2 Å²	164.2	87%	0.87	82%	0.817	S	S	*	*			trans	-110.4	76.6	-172.5	-159.4	-178.3	-176.6	-169.8	0	110.5	P981	K979-P981 WeakPolarHBondContact O-CD 3.29Å
980	T	31.9	Very low	30.6	Very low	107 Å²	107	167.6 Å²	167.6	66%	0.656	83%	0.826	S	S	*	*			trans	-70.3	126.1	177.5	50.8	0	0	0	0	112.1	V978	V978-T980 HydrophobicContact CG1-CG2 4.22Å
981	P	37.3	Very low	30.4	Very low	119 Å²	119	166.6 Å²	166.6	77%	0.773	82%	0.82	S	S	*	*			trans	-104.2	51.5	178.9	39.2	-32.9	0	0	0	113.9	K979 S983	K979-P981 WeakPolarHBondContact O-CD 3.29Å; P981-S983 PolarHBondContact O-N 3.38Å
982	Y	28.8	Very low	30.3	Very low	205 Å²	205	173 Å²	173	80%	0.804	82%	0.82	S	S	*	*			trans	-73	92.7	169.2	-86.8	-70.5	0	0	0	111.2
983	S	34.6	Very low	29.9	Very low	99 Å²	99	170.9 Å²	170.9	69%	0.692	82%	0.819	S	S	*	*			trans	-99.8	102.7	174.9	-62.4	0	0	0	0	110.6	P981 K985	P981-S983 PolarHBondContact O-N 3.38Å; S983-K985 PolarHBondContact O-N 2.74Å
984	L	29.6	Very low	29.5	Very low	175 Å²	175	168.2 Å²	168.2	92%	0.916	81%	0.813	S	S	*	*			trans	-65	87.7	-179.6	-74.3	165.9	0	0	0	112.4	K986	L984-K986 PolarHBondContact O-N 3.37Å
985	K	30.3	Very low	29.3	Very low	173 Å²	173	164.7 Å²	164.7	75%	0.752	80%	0.804	S	S	*	*			trans	-69.2	94	171.8	-78.7	-179.7	179.8	168.2	0	110.5	S983 W987	S983-K985 PolarHBondContact O-N 2.74Å; K985-W987 VanDerWaalsContact C-N 3.34Å; K985-W987 PolarHBondContact O-N 3.05Å
986	K	26.7	Very low	29.2	Very low	207 Å²	207	162.1 Å²	162.1	90%	0.9	80%	0.804	S	S	*	*			trans	-76.2	78.6	177.8	-167.6	173	-172.8	170.6	0	111.6	L984	L984-K986 PolarHBondContact O-N 3.37Å
987	W	28.1	Very low	28.9	Very low	216 Å²	216	159 Å²	159	82%	0.818	80%	0.797	S	S	*	*			trans	-62.4	149	175.4	-76.5	93.6	0	0	0	112.6	K985	K985-W987 VanDerWaalsContact C-N 3.34Å; K985-W987 PolarHBondContact O-N 3.05Å
988	R	25.5	Very low	28.9	Very low	219 Å²	219	153.9 Å²	153.9	83%	0.826	79%	0.792	S	S	*	*			trans	-122.8	139.4	160.4	-72.3	-173.6	179.9	-124	6.9	108
989	P	29.1	Very low	28.9	Very low	129 Å²	129	159.4 Å²	159.4	84%	0.838	80%	0.799	S	S	*	*			trans	-72.5	148.9	171	31.4	-34.4	0	0	0	110.8
990	T	27.8	Very low	28.6	Very low	130 Å²	130	153.4 Å²	153.4	80%	0.798	79%	0.794	S	S	*	*			trans	-134.3	103.2	176.3	52.1	0	0	0	0	111.7
991	T	28.8	Very low	29.2	Very low	120 Å²	120	153.5 Å²	153.5	74%	0.736	80%	0.797	S	S	*	*			trans	-142	171.5	160.9	41.1	0	0	0	0	108.6
992	W	27.2	Very low	28.9	Very low	215 Å²	215	156.3 Å²	156.3	81%	0.814	80%	0.8	S	S	*	*			trans	76.9	96	-178.4	-51.5	104.1	0	0	0	117.1	I994	W992-I994 HydrophobicContact CE3-CD1 4.16Å; W992-I994 HydrophobicContact CE3-CG1 4.45Å; W992-I994 HydrophobicContact CZ3-CD1 4.26Å
993	V	25.4	Very low	28.8	Very low	146 Å²	146	152.5 Å²	152.5	89%	0.885	80%	0.797	S	S	*	*			trans	-129.7	131.1	143.1	177.8	0	0	0	0	106.5
994	I	24.5	Very low	28.7	Very low	136 Å²	136	154.2 Å²	154.2	70%	0.697	80%	0.799	S	S	*	*			trans	-113.8	150.3	174.6	-70.1	178.5	0	0	0	108.8	W992	W992-I994 HydrophobicContact CE3-CD1 4.16Å; W992-I994 HydrophobicContact CE3-CG1 4.45Å; W992-I994 HydrophobicContact CZ3-CD1 4.26Å
995	S	25.5	Very low	28.6	Very low	99 Å²	99	153.7 Å²	153.7	69%	0.692	80%	0.797	S	S	*	*			trans	-67.1	160.9	-171.8	-165.4	0	0	0	0	114.7
996	T	28.2	Very low	28.5	Very low	137 Å²	137	153.2 Å²	153.2	84%	0.84	80%	0.802	S	S	*	*			trans	-132.2	107.8	163.5	56.8	0	0	0	0	110.2
997	D	28.2	Very low	28.6	Very low	145 Å²	145	146.7 Å²	146.7	78%	0.775	79%	0.794	S	S	*	*			trans	-73.8	160.4	175.5	-85	-59.1	0	0	0	113.7
998	T	29.4	Very low	28.6	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	79%	0.789	S	S	*	*				-171.9	131.5	123.5	15.4	0	0	0	0	116
999	R	28.1	Very low	28.8	Very low	244 Å²	244	136.5 Å²	136.5	92%	0.921	78%	0.784	S	S	*	*			trans	81.7	131.3	150.2	-64.6	170.4	175.5	-176.6	-2.9	120.4
1000	G	25.3	Very low	28.8	Very low	75 Å²	75	142.1 Å²	142.1	77%	0.773	79%	0.789	S	S	*	*			trans	-97.3	-137.5	173.8	0	0	0	0	0	113.6
1001	P	45	Very low	28.8	Very low	109 Å²	109	139.3 Å²	139.3	71%	0.708	79%	0.785	S	S	*	*			cis	-143.9	176.2	26.2	44.4	-26	0	0	0	118.6
1002	E	30.1	Very low	28.9	Very low	178 Å²	178	143.6 Å²	143.6	83%	0.832	80%	0.797	S	S	*	*			trans	61	157.1	144.8	-74.4	166.9	-152	0	0	121.6
1003	V	28.2	Very low	29	Very low	125 Å²	125	136.6 Å²	136.6	76%	0.758	79%	0.792	S	S	*	*			cis	-151.7	169.7	5.4	99.8	0	0	0	0	114
1004	N	31	Very low	29.3	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	79%	0.791	S	S	*	*			trans	-58	161.8	-176.5	-61.7	-24.4	0	0	0	120
1005	N	27.8	Very low	29.5	Very low	165 Å²	165	136.9 Å²	136.9	88%	0.882	79%	0.787	S	S	*	*				-170.5	172.3	106.9	-104.3	-37.9	0	0	0	116.9
1006	N	29.2	Very low	29.7	Very low	162 Å²	162	138 Å²	138	87%	0.866	78%	0.781	S	S	*	*			trans	-148.2	154.1	-151.2	-155.4	0.6	0	0	0	115.5
1007	G	27.3	Very low	29.8	Very low	70 Å²	70	139.8 Å²	139.8	72%	0.722	79%	0.786	S	S	*	*			trans	80.8	173.7	160.9	0	0	0	0	0	120.2
1008	S	28.6	Very low	29.9	Very low	102 Å²	102	136 Å²	136	71%	0.713	78%	0.781	S	S	*	*			cis	-173.7	142.2	-21.1	-174.8	0	0	0	0	114.7
1009	T	29.1	Very low	30	Very low	119 Å²	119	136.5 Å²	136.5	73%	0.73	79%	0.786	S	S	*	*			trans	68	140.1	146.5	41.2	0	0	0	0	126.4
1010	R	29.8	Very low	30	Very low	248 Å²	248	132.5 Å²	132.5	94%	0.936	78%	0.776	S	S	*	*			trans	72.4	142.4	153.3	-71.1	171.5	171.1	174.8	-3.5	119.9
1011	G	29.1	Very low	30.1	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	78%	0.775	S	S	*	*			cis	157	136.3	-16	0	0	0	0	0	116.7
1012	Q	30.6	Very low	29.5	Very low	210 Å²	210	134.8 Å²	134.8	98%	0.981	78%	0.777	S	S	*	*			trans	59.3	147.3	162.3	-63.7	173.8	-25.4	0	0	119.9
1013	G	29.2	Very low	29.2	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	78%	0.775	S	S	*	*			cis	165.9	155.3	-11.5	0	0	0	0	0	114.9
1014	H	30.3	Very low	29	Very low	187 Å²	187	130.3 Å²	130.3	87%	0.866	78%	0.777	S	S	*	*			trans	67.1	155.1	162.5	-70.8	-13.2	0	0	0	120.1
1015	T	29.2	Very low	28.9	Very low	101 Å²	101	131.2 Å²	131.2	62%	0.62	78%	0.78	S	S	*	*			cis	-168.7	175.8	-21.1	32.9	0	0	0	0	107.7
1016	Q	30.8	Very low	28.8	Very low	122 Å²	122	132.9 Å²	132.9	57%	0.57	78%	0.776	S	S	*	*			cis	-159.5	148.3	-3.2	-125.1	161.7	124.7	0	0	108	K1020	Q1016-K1020 VanDerWaalsContact OE1-CE 3.24Å
1017	N	30.5	Very low	28.9	Very low	175 Å²	175	133 Å²	133	94%	0.936	78%	0.775	S	S	*	*			trans	-176.1	138.9	146.4	-102	-22.4	0	0	0	111.3
1018	G	28.9	Very low	28.8	Very low	65 Å²	65	138.4 Å²	138.4	67%	0.67	78%	0.782	S	S	*	*	S	Bend	trans	113.6	136.4	-174.6	0	0	0	0	0	112.7
1019	P	32.7	Very low	28.6	Very low	137 Å²	137	136.9 Å²	136.9	89%	0.89	78%	0.782	S	S	*	*			trans	-85.2	130.9	-163.5	31.3	-34.9	0	0	0	116.1
1020	K	26.4	Very low	28.5	Very low	161 Å²	161	135.4 Å²	135.4	70%	0.7	79%	0.791	S	S	*	*			trans	-55.3	166.5	161.5	-49.8	163.3	-176.8	170.3	0	111.4	Q1016	Q1016-K1020 VanDerWaalsContact OE1-CE 3.24Å
1021	S	28.4	Very low	28.2	Very low	109 Å²	109	127 Å²	127	76%	0.762	78%	0.781	S	S	*	*			cis	-156.3	166.1	6.4	-160.2	0	0	0	0	111.2
1022	T	32.2	Very low	28.1	Very low	122 Å²	122	132.1 Å²	132.1	75%	0.748	79%	0.791	S	S	*	*			trans	-69.4	146.7	161.3	46.2	0	0	0	0	112.8
1023	S	24.5	Very low	28	Very low	112 Å²	112	126 Å²	126	78%	0.783	78%	0.777	S	S	*	*			trans	163.8	150.9	146.1	-77.7	0	0	0	0	112.2
1024	A	23.6	Very low	27.9	Very low	97 Å²	97	128.2 Å²	128.2	80%	0.802	78%	0.781	S	S	*	*			trans	59.6	-174	174	0	0	0	0	0	113.2
1025	I	29.6	Very low	27.8	Very low	153 Å²	153	128 Å²	128	79%	0.785	78%	0.781	S	S	*	*			cis	-140.7	125.6	22.7	-69.7	174.7	0	0	0	107.2
1026	Y	24.5	Very low	28.7	Very low	200 Å²	200	128.3 Å²	128.3	78%	0.784	78%	0.784	S	S	*	*				72.3	132.3	77.8	-120.7	-98.2	0	0	0	115.5
1027	L	31.6	Very low	28.6	Very low	164 Å²	164	126.7 Å²	126.7	86%	0.859	79%	0.786	S	S	*	*			trans	-86.8	122.6	166.4	-76.3	162.8	0	0	0	109.2
1028	Q	25.3	Very low	28.7	Very low	185 Å²	185	125.3 Å²	125.3	86%	0.864	78%	0.779	S	S	*	*			trans	172.1	157.4	153.3	-100.3	162.1	-5.7	0	0	109.5
1029	G	25.2	Very low	28.8	Very low	70 Å²	70	127.3 Å²	127.3	72%	0.722	78%	0.779	S	S	*	*			cis	143.4	133.6	-4.1	0	0	0	0	0	112
1030	G	25.2	Very low	28.8	Very low	88 Å²	88	129.3 Å²	129.3	91%	0.907	78%	0.776	S	S	*	*			trans	81.8	137.7	-177	0	0	0	0	0	113.6
1031	G	25.2	Very low	29.3	Very low	71 Å²	71	131.7 Å²	131.7	73%	0.732	80%	0.803	S	S	*	*			cis	135.6	138.3	-7.8	0	0	0	0	0	112.5
1032	L	26.4	Very low	29.3	Very low	177 Å²	177	132.8 Å²	132.8	93%	0.927	81%	0.805	S	S	*	*			trans	178.2	151.1	157.9	-104.2	162.2	0	0	0	110.8
1033	A	27.7	Very low	29.1	Very low	83 Å²	83	133.4 Å²	133.4	69%	0.686	81%	0.808	S	S	*	*			trans	67.9	122.2	155.7	0	0	0	0	0	121.5
1034	S	27.9	Very low	29.4	Very low	113 Å²	113	134.6 Å²	134.6	79%	0.79	81%	0.81	S	S	*	*			trans	67.3	120.1	132.6	65.2	0	0	0	0	122.3
1035	E	28	Very low	29.7	Very low	183 Å²	183	136.8 Å²	136.8	86%	0.855	81%	0.81	S	S	*	*			trans	-33.6	165	134.6	-72.2	-166.4	130.4	0	0	115.1
1036	P	48	Very low	29.8	Very low	107 Å²	107	135.8 Å²	135.8	70%	0.695	81%	0.812	S	S	*	*			cis	-144	-169	26.8	40	-18.2	0	0	0	117.5
1037	S	29.7	Very low	30.1	Very low	88 Å²	88	131.5 Å²	131.5	62%	0.615	81%	0.814	S	S	*	*			trans	74.9	107.4	142.5	62.8	0	0	0	0	121.3
1038	D	31.1	Very low	30	Very low	146 Å²	146	129.1 Å²	129.1	78%	0.781	81%	0.81	S	S	*	*				88	140.2	114.5	-74.4	-48.3	0	0	0	124.6
1039	T	32.7	Very low	30.4	Very low	108 Å²	108	124.8 Å²	124.8	66%	0.663	81%	0.806	S	S	*	*			trans	69.9	117.2	149.6	46.9	0	0	0	0	122.2
1040	Q	31.9	Very low	30.8	Very low	179 Å²	179	129.4 Å²	129.4	84%	0.836	81%	0.813	S	S	*	*			trans	63	135.6	133.2	-60.1	175.6	9	0	0	118.1
1041	V	35.8	Very low	31.3	Very low	210 Å²	210	133.2 Å²	133.2	100%	1.273	81%	0.805	S	S	*	*			cis	-130.1	0	17.3	173.8	0	0	0	0	110.5

Retrieved 1,041 of 1,041 residues in 552.5 ms (Link to these results)

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