A0A087X8R0_POEFO Loading...

FACT complex subunit

Component of the FACT complex, a general chromatin factor that acts to reorganize nucleosomes. The FACT complex is involved in multiple processes that require DNA as a template such as mRNA elongation, DNA replication and DNA repair. During transcription elongation the FACT complex acts as a histone chaperone that both destabilizes and restores nucleosomal structure. It facilitates the passage of RNA polymerase II and transcription by promoting the dissociation of one histone H2A-H2B dimer from the nucleosome, then subsequently promotes the reestablishment of the nucleosome following the passage of RNA polymerase II.

AlphaFold DB , UniProt , Accession A0A087X8R0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,030 aa.

						>A0A087X8R0_POEFO|A0A087X8R0
MAVNLDKEAYYRRIKRLYSNWKKAEDEFGKVDAIVVSVGVDEEIVYAKSTAIQTWLFGYELTDTIMVFCETKIIFLASKKKVDFLKQVAITKGNENANGVPPITLLTREKNESNKANFDKMIEAIKGSKEGKTIGVFSKDKFPGEYMKSWNDTLTAEGLDRVDISAVVAYTMAVKEDGELNLMKKAAAITGEVYSKFFKERVMEIVDADEKVRHSKLAESVEKAIEEKKYLGGADPSTVEMCYPPIIQSGGNYSLKFSVVSDKNHMHFGAITCAMGIRYKSYCSNLVRTLMVDPSQEMQDNYNFLLQVEEELLKQLKHGVKICDAYNGVMEYVKKEKPDLVAKLTKNLGFAMGIEFREGSLVLNAKNQYKLKKGMVLSISLGLSDLINKDAKKEEQKYALFLGDTVQINEEEAATILTPVKKKIKNVAIFLKNDDEEDEEEEGDDAEELLGKGARSAALLADRTRNEMTAEEKRRAHQKELANNLNEEAKRRLTEQKGEQHIQKARKSNVSYKNVSQMPKEKEIREMKIHIDKKYETVIMPVFGIATPFHIATIKNISMSVEGDYTYLRINFYVPGSSLGRQEGNIFPNPDATFVKEITYRASNLKAPGDTSVPSTNLQNAFRIIKEVQKRYKTREAEEKEKEGIVKQDSLVINLNRSNPKLKDLYIRPNIAQKRMQGSLEAHTNGFRFTSVRGDKVDILYNNIKHAIFQPCDGEMIIVLHFHLKNAIMFGKRRHTDVQFYTEVGEITTDLGKHQHMHDRDDLYAEQMEREMRHKLKSAFKNFIEKVETLTKEELEFEVPFRDLGFQGAPYRSTCLLQPTSSSLINVTEWPPFVVTLDEVELVHFERVQFHLKNFDVVIVYKDYSKKVTMINAVPVNSLDPIKEWLNSCDIKYTEGVQSLNWTKIMKTIVDDPEGFFEQGGWSFLDPESEGSGAEEDSESEMEDETFNPSADEEEEEEEDSDEDYSSETEDSDYSASLGSEEESGKDWDELEEEARKADKESHYEDEDTSNRKRKARSSAPHSSKKKRRS
					

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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	42.3	Very low	81.4	Confident	241 Å²	241	76.2 Å²	76.2	100%	1.187	41%	0.414	S	S	*	.				0	134.6	0	-78.4	177.6	-95.3	0	0	108
2	A	59.7	Low	82.2	Confident	96 Å²	96	79.3 Å²	79.3	79%	0.793	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-69.3	135.4	173.8	0	0	0	0	0	108.9	N4	A2-N4 PolarHBondContact O-N 3.24Å
3	V	78.7	Confident	83.2	Confident	76 Å²	76	74.9 Å²	74.9	46%	0.461	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-63.2	127.5	176	-178.1	0	0	0	0	108.5	Y59 F84 Q87	V3-Y59 HydrophobicContact CG1-CD1 4.38Å; V3-Y59 HydrophobicContact CG1-CD2 4.27Å; V3-Y59 HydrophobicContact CG1-CE1 3.68Å; V3-Y59 HydrophobicContact CG1-CE2 3.57Å; V3-Y59 VanDerWaalsContact CG1-OH 3.27Å; V3-Y59 WeakPolarHBondContact CG1-OH 3.4Å; V3-F84 HydrophobicContact CB-CD2 4.37Å; V3-F84 HydrophobicContact CB-CE2 4.29Å; V3-F84 HydrophobicContact CG1-CE2 4.01Å; V3-Q87 PolarHBondContact O-NE2 3.17Å; V3-Q87 VanDerWaalsContact O-NE2 3.07Å
4	N	84.9	Confident	83.9	Confident	121 Å²	121	69.6 Å²	69.6	65%	0.647	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-91.1	134.2	-176	-161.5	21.4	0	0	0	110.4	A2 Q87	A2-N4 PolarHBondContact O-N 3.24Å; N4-Q87 PolarHBondContact OD1-OE1 2.88Å
5	L	87.4	Confident	84.5	Confident	4 Å²	4	72.7 Å²	72.7	2%	0.021	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-100	128.6	177.3	-167.2	168.2	0	0	0	108.8	K7 F57 F84 Q87 V88	L5-K7 PolarHBondContact O-N 3.04Å; L5-F57 HydrophobicContact CD1-CB 4.48Å; L5-F57 HydrophobicContact CD1-CD1 4.06Å; L5-F84 HydrophobicContact CB-CE2 3.77Å; L5-F84 HydrophobicContact CB-CZ 3.72Å; L5-F84 HydrophobicContact CD1-CD1 4.37Å; L5-F84 HydrophobicContact CD1-CE1 3.7Å; L5-F84 HydrophobicContact CD1-CE2 4.35Å; L5-F84 HydrophobicContact CD1-CZ 3.68Å; L5-F84 HydrophobicContact CG-CE1 4.3Å; L5-F84 HydrophobicContact CG-CE2 4.34Å; L5-F84 HydrophobicContact CG-CZ 3.78Å; L5-Q87 HydrophobicContact CB-CB 4.48Å; L5-Q87 VanDerWaalsContact N-OE1 3.13Å; L5-V88 HydrophobicContact CD1-CG1 3.89Å; L5-V88 HydrophobicContact CD1-CG2 4.28Å; L5-V88 HydrophobicContact CD2-CG1 3.5Å; L5-V88 HydrophobicContact CG-CG1 4.32Å
6	D	89.7	Confident	85	Confident	94 Å²	94	71.8 Å²	71.8	50%	0.503	36%	0.362	S	S	.	.			trans	-70	95.6	172.8	-174.8	-15.7	0	0	0	110.7	E8 A9 Y10	D6-E8 VanDerWaalsContact C-N 3.31Å; D6-E8 PolarHBondContact O-N 3.05Å; D6-E8 PolarHBondContact OD1-N 3.02Å; D6-E8 VanDerWaalsContact OD1-N 3.09Å; D6-A9 HydrophobicContact CB-CB 3.98Å; D6-A9 VanDerWaalsContact CG-CB 3.43Å; D6-A9 PolarHBondContact OD1-N 3.31Å; D6-A9 WeakPolarHBondContact OD2-CB 3.49Å; D6-Y10 PolarHBondContact O-N 3.07Å; D6-Y10 VanDerWaalsContact O-N 3.07Å
7	K	89.6	Confident	85.5	Confident	86 Å²	86	67.7 Å²	67.7	37%	0.374	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-37.1	-177	-58.7	-179.1	-172.3	-178.3	0	111.9	L5 Y10 Y11 Q87 V88	L5-K7 PolarHBondContact O-N 3.04Å; K7-Y10 PolarHBondContact O-N 3Å; K7-Y11 HydrophobicContact CB-CE2 4.31Å; K7-Y11 WeakPolarHBondContact O-CD2 3.44Å; K7-Y11 PolarHBondContact O-N 2.87Å; K7-Q87 WeakPolarHBondContact CD-O 3.5Å; K7-Q87 WeakPolarHBondContact CE-O 3.27Å; K7-V88 HydrophobicContact CG-CG1 4.31Å
8	E	88.5	Confident	85.9	Confident	111 Å²	111	64.2 Å²	64.2	52%	0.519	32%	0.324	S	S	.	.	H	α-helix	trans	-69.8	-45.1	-177.1	-64.1	-171	172.6	0	0	110.8	D6 Y10 Y11 R12	D6-E8 VanDerWaalsContact C-N 3.31Å; D6-E8 PolarHBondContact O-N 3.05Å; D6-E8 PolarHBondContact OD1-N 3.02Å; D6-E8 VanDerWaalsContact OD1-N 3.09Å; E8-Y10 VanDerWaalsContact C-N 3.32Å; E8-Y10 PolarHBondContact O-N 3.05Å; E8-Y11 PolarHBondContact O-N 3.33Å; E8-R12 WeakPolarHBondContact O-CG 3.35Å; E8-R12 PolarHBondContact O-N 2.8Å; E8-R12 IonicContact OE2-NH1 3.25Å
9	A	90.8	Very high	86.2	Confident	4 Å²	4	63.8 Å²	63.8	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-58	-45.5	173.2	0	0	0	0	0	111.3	D6 Y11 R12 R13	D6-A9 HydrophobicContact CB-CB 3.98Å; D6-A9 VanDerWaalsContact CG-CB 3.43Å; D6-A9 PolarHBondContact OD1-N 3.31Å; D6-A9 WeakPolarHBondContact OD2-CB 3.49Å; A9-Y11 PolarHBondContact O-N 2.77Å; A9-R12 PolarHBondContact O-N 2.7Å; A9-R13 VanDerWaalsContact O-CB 3.26Å; A9-R13 WeakPolarHBondContact O-CB 3.47Å; A9-R13 WeakPolarHBondContact O-CD 3.45Å; A9-R13 WeakPolarHBondContact O-CG 3.46Å; A9-R13 PolarHBondContact O-N 2.86Å
10	Y	92.9	Very high	86.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-54.5	-53.1	175.9	172.4	-98.2	0	0	0	112	D6 K7 E8 R12 R13 I14 L56 F57 V88 I103	D6-Y10 PolarHBondContact O-N 3.07Å; D6-Y10 VanDerWaalsContact O-N 3.07Å; K7-Y10 PolarHBondContact O-N 3Å; E8-Y10 VanDerWaalsContact C-N 3.32Å; E8-Y10 PolarHBondContact O-N 3.05Å; Y10-R12 PolarHBondContact O-N 2.97Å; Y10-R13 PolarHBondContact O-N 3.22Å; Y10-I14 HydrophobicContact CD1-CG2 4.45Å; Y10-I14 HydrophobicContact CE1-CG2 4.1Å; Y10-I14 HydrophobicContact CE2-CB 4.43Å; Y10-I14 WeakPolarHBondContact O-CB 3.5Å; Y10-I14 VanDerWaalsContact O-CG2 3.23Å; Y10-I14 WeakPolarHBondContact O-CG2 3.45Å; Y10-I14 PolarHBondContact O-N 3.38Å; Y10-L56 WeakPolarHBondContact CB-O 3.45Å; Y10-L56 HydrophobicContact CD2-CB 4.13Å; Y10-L56 HydrophobicContact CD2-CD2 4.4Å; Y10-L56 WeakPolarHBondContact CD2-O 3.45Å; Y10-L56 HydrophobicContact CE2-CB 4.4Å; Y10-L56 HydrophobicContact CE2-CD2 4.48Å; Y10-F57 AromaticContact CD2-CD1 3.93Å; Y10-F57 HydrophobicContact CD2-CD1 3.93Å; Y10-F57 AromaticContact CD2-CE1 3.76Å; Y10-F57 HydrophobicContact CD2-CE1 3.76Å; Y10-F57 HydrophobicContact CE2-CD1 4.21Å; Y10-F57 AromaticContact CE2-CE1 3.55Å; Y10-F57 HydrophobicContact CE2-CE1 3.55Å; Y10-F57 HydrophobicContact CE2-CZ 4.41Å; Y10-V88 HydrophobicContact CD1-CB 3.83Å; Y10-V88 HydrophobicContact CD1-CG1 3.69Å; Y10-V88 HydrophobicContact CD1-CG2 4.47Å; Y10-V88 HydrophobicContact CE1-CB 3.92Å; Y10-V88 HydrophobicContact CE1-CG1 4.3Å; Y10-V88 HydrophobicContact CE1-CG2 4.3Å; Y10-V88 HydrophobicContact CG-CB 4.34Å; Y10-V88 HydrophobicContact CG-CG1 3.85Å; Y10-I103 HydrophobicContact CE1-CD1 3.86Å; Y10-I103 WeakPolarHBondContact OH-CD1 3.42Å
11	Y	90.9	Very high	86.6	Confident	5 Å²	5	59.8 Å²	59.8	2%	0.02	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-37.8	-176.6	-71	-61.5	0	0	0	112.9	K7 E8 A9 I14 K15 V88 N94 A97 V100	K7-Y11 HydrophobicContact CB-CE2 4.31Å; K7-Y11 WeakPolarHBondContact O-CD2 3.44Å; K7-Y11 PolarHBondContact O-N 2.87Å; E8-Y11 PolarHBondContact O-N 3.33Å; A9-Y11 PolarHBondContact O-N 2.77Å; Y11-I14 WeakPolarHBondContact O-CG2 3.13Å; Y11-K15 WeakPolarHBondContact O-CB 3.29Å; Y11-K15 PolarHBondContact O-N 2.81Å; Y11-K15 VanDerWaalsContact O-N 3.11Å; Y11-V88 PolarHBondContact OH-O 3.15Å; Y11-N94 WeakPolarHBondContact CE2-ND2 3.29Å; Y11-A97 HydrophobicContact CD1-CB 4.38Å; Y11-A97 HydrophobicContact CE1-CB 4.02Å; Y11-V100 HydrophobicContact CD1-CG2 4.46Å
12	R	91.5	Very high	88.8	Confident	113 Å²	113	55 Å²	55	43%	0.426	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-47.6	173.9	-71.9	-168.8	-54.8	-97.8	0	111.5	E8 A9 Y10 K15 R16 E176	E8-R12 WeakPolarHBondContact O-CG 3.35Å; E8-R12 PolarHBondContact O-N 2.8Å; E8-R12 IonicContact OE2-NH1 3.25Å; A9-R12 PolarHBondContact O-N 2.7Å; Y10-R12 PolarHBondContact O-N 2.97Å; R12-K15 PolarHBondContact O-N 3.11Å; R12-R16 PolarHBondContact O-N 3.45Å; R12-E176 IonicContact CZ-OE1 3.36Å; R12-E176 IonicContact NE-OE1 2.7Å; R12-E176 PolarHBondContact NE-OE1 2.94Å; R12-E176 VanDerWaalsContact NE-OE1 3.11Å; R12-E176 IonicContact NE-OE2 2.59Å; R12-E176 IonicContact NH2-OE1 3.8Å; R12-E176 IonicContact NH2-OE2 3.64Å; R12-E176 PolarHBondContact NH2-OE2 3.35Å
13	R	94.3	Very high	90.2	Very high	23 Å²	23	56.4 Å²	56.4	9%	0.087	27%	0.268	C	S	.	.	H	α-helix	trans	-71.3	-43.7	-174.7	-67.4	172.1	-170.7	-174.7	-1.2	112.2	A9 Y10 K15 R16 L17 W55 L56 E176	A9-R13 VanDerWaalsContact O-CB 3.26Å; A9-R13 WeakPolarHBondContact O-CB 3.47Å; A9-R13 WeakPolarHBondContact O-CD 3.45Å; A9-R13 WeakPolarHBondContact O-CG 3.46Å; A9-R13 PolarHBondContact O-N 2.86Å; Y10-R13 PolarHBondContact O-N 3.22Å; R13-K15 VanDerWaalsContact C-N 3.34Å; R13-K15 PolarHBondContact O-N 3.34Å; R13-R16 WeakPolarHBondContact O-CB 3.33Å; R13-R16 PolarHBondContact O-N 3.14Å; R13-L17 PolarHBondContact O-N 3Å; R13-W55 HydrophobicContact CB-CD2 4.03Å; R13-W55 HydrophobicContact CB-CE3 3.99Å; R13-W55 HydrophobicContact CB-CH2 3.59Å; R13-W55 HydrophobicContact CB-CZ2 3.61Å; R13-W55 HydrophobicContact CB-CZ3 3.78Å; R13-W55 WeakPolarHBondContact CD-O 3.34Å; R13-W55 HydrophobicContact CG-CD2 4.11Å; R13-W55 HydrophobicContact CG-CH2 4.11Å; R13-W55 HydrophobicContact CG-CZ2 3.57Å; R13-W55 PolarHBondContact NH1-O 3.42Å; R13-W55 WeakPolarHBondContact O-CH2 3.42Å; R13-W55 WeakPolarHBondContact O-CZ3 3.42Å; R13-L56 HydrophobicContact CB-CD2 3.98Å; R13-E176 IonicContact CZ-OE2 3.27Å; R13-E176 IonicContact NE-OE1 2.79Å; R13-E176 IonicContact NE-OE2 2.96Å; R13-E176 PolarHBondContact NE-OE2 2.73Å; R13-E176 VanDerWaalsContact NE-OE2 3.16Å; R13-E176 IonicContact NH2-OE2 3.88Å; R13-E176 PolarHBondContact NH2-OE2 3.18Å
14	I	93.6	Very high	90.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-37.9	176.4	-163.3	62.7	0	0	0	111.5	Y10 Y11 R16 L17 Y18 L56 F68 I73 V100	Y10-I14 HydrophobicContact CD1-CG2 4.45Å; Y10-I14 HydrophobicContact CE1-CG2 4.1Å; Y10-I14 HydrophobicContact CE2-CB 4.43Å; Y10-I14 WeakPolarHBondContact O-CB 3.5Å; Y10-I14 VanDerWaalsContact O-CG2 3.23Å; Y10-I14 WeakPolarHBondContact O-CG2 3.45Å; Y10-I14 PolarHBondContact O-N 3.38Å; Y11-I14 WeakPolarHBondContact O-CG2 3.13Å; I14-R16 VanDerWaalsContact C-N 3.31Å; I14-R16 PolarHBondContact O-N 2.79Å; I14-L17 HydrophobicContact CD1-CD2 4.05Å; I14-L17 PolarHBondContact O-N 3.25Å; I14-Y18 HydrophobicContact CD1-CD2 4.14Å; I14-Y18 HydrophobicContact CD1-CE2 3.99Å; I14-Y18 HydrophobicContact CG1-CD2 3.98Å; I14-Y18 HydrophobicContact CG1-CE2 4.02Å; I14-Y18 WeakPolarHBondContact O-CD2 3.11Å; I14-Y18 PolarHBondContact O-N 3.16Å; I14-L56 HydrophobicContact CB-CD2 4.05Å; I14-L56 HydrophobicContact CD1-CD1 4.24Å; I14-L56 HydrophobicContact CD1-CD2 4.09Å; I14-F68 HydrophobicContact CD1-CD1 3.89Å; I14-F68 HydrophobicContact CD1-CE1 3.56Å; I14-F68 HydrophobicContact CD1-CZ 4.48Å; I14-I73 HydrophobicContact CD1-CD1 4.37Å; I14-I73 HydrophobicContact CG1-CD1 4.06Å; I14-V100 HydrophobicContact CG1-CG1 4.19Å; I14-V100 HydrophobicContact CG2-CB 4.41Å; I14-V100 HydrophobicContact CG2-CG1 3.74Å; I14-V100 HydrophobicContact CG2-CG2 3.72Å
15	K	92.3	Very high	89.9	Confident	116 Å²	116	55.6 Å²	55.6	50%	0.504	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-39.5	174.1	-176.4	175.5	-179.5	175.1	0	111.4	Y11 R12 R13 Y18 S19 V100	Y11-K15 WeakPolarHBondContact O-CB 3.29Å; Y11-K15 PolarHBondContact O-N 2.81Å; Y11-K15 VanDerWaalsContact O-N 3.11Å; R12-K15 PolarHBondContact O-N 3.11Å; R13-K15 VanDerWaalsContact C-N 3.34Å; R13-K15 PolarHBondContact O-N 3.34Å; K15-Y18 PolarHBondContact O-N 2.87Å; K15-S19 VanDerWaalsContact O-CB 3.24Å; K15-S19 WeakPolarHBondContact O-CB 3.46Å; K15-S19 PolarHBondContact O-N 3.26Å; K15-V100 HydrophobicContact CB-CG2 4.38Å
16	R	92.9	Very high	89.8	Confident	59 Å²	59	60.7 Å²	60.7	22%	0.223	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-43.2	174.3	-180	172.6	158.4	-175.7	-6.1	112	R12 R13 I14 S19 N20 W55 T171 V174	R12-R16 PolarHBondContact O-N 3.45Å; R13-R16 WeakPolarHBondContact O-CB 3.33Å; R13-R16 PolarHBondContact O-N 3.14Å; I14-R16 VanDerWaalsContact C-N 3.31Å; I14-R16 PolarHBondContact O-N 2.79Å; R16-S19 PolarHBondContact O-N 2.97Å; R16-N20 PolarHBondContact O-N 2.8Å; R16-W55 HydrophobicContact CB-CH2 4.41Å; R16-W55 HydrophobicContact CG-CH2 4.48Å; R16-T171 HydrophobicContact CG-CG2 4.27Å; R16-T171 PolarHBondContact NE-O 3.28Å; R16-T171 PolarHBondContact NH2-O 2.78Å; R16-V174 PolarHBondContact NH1-O 3.04Å; R16-V174 PolarHBondContact NH2-O 3.13Å
17	L	93.4	Very high	89.6	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-51.4	174.2	-178.3	66	0	0	0	111.7	R13 I14 S19 N20 W21 F28 I52 V168 T171	R13-L17 PolarHBondContact O-N 3Å; I14-L17 HydrophobicContact CD1-CD2 4.05Å; I14-L17 PolarHBondContact O-N 3.25Å; L17-S19 PolarHBondContact O-N 2.78Å; L17-N20 PolarHBondContact O-N 3.39Å; L17-W21 WeakPolarHBondContact O-CB 3.45Å; L17-W21 PolarHBondContact O-N 2.91Å; L17-F28 HydrophobicContact CD1-CZ 4.07Å; L17-I52 HydrophobicContact CD2-CD1 4.17Å; L17-V168 HydrophobicContact CD1-CG2 4.45Å; L17-T171 HydrophobicContact CD1-CG2 4.3Å
18	Y	92.2	Very high	89.5	Confident	5 Å²	5	55.5 Å²	55.5	2%	0.02	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-36.7	178.9	-90.1	-92.9	0	0	0	112.9	I14 K15 W21 K22 F68 C69 I73 P101	I14-Y18 HydrophobicContact CD1-CD2 4.14Å; I14-Y18 HydrophobicContact CD1-CE2 3.99Å; I14-Y18 HydrophobicContact CG1-CD2 3.98Å; I14-Y18 HydrophobicContact CG1-CE2 4.02Å; I14-Y18 WeakPolarHBondContact O-CD2 3.11Å; I14-Y18 PolarHBondContact O-N 3.16Å; K15-Y18 PolarHBondContact O-N 2.87Å; Y18-W21 AromaticContact CD1-CE3 3.96Å; Y18-W21 HydrophobicContact CD1-CE3 3.96Å; Y18-W21 HydrophobicContact CD1-CZ3 4.22Å; Y18-W21 AromaticContact CE1-CE3 3.88Å; Y18-W21 HydrophobicContact CE1-CE3 3.88Å; Y18-W21 AromaticContact CE1-CZ3 3.67Å; Y18-W21 HydrophobicContact CE1-CZ3 3.67Å; Y18-W21 PolarHBondContact O-N 3.12Å; Y18-K22 WeakPolarHBondContact O-CB 3.5Å; Y18-K22 VanDerWaalsContact O-CG 3.28Å; Y18-K22 WeakPolarHBondContact O-CG 3.29Å; Y18-K22 PolarHBondContact O-N 2.93Å; Y18-F68 HydrophobicContact CE2-CB 4.47Å; Y18-F68 HydrophobicContact CE2-CD1 4.22Å; Y18-C69 VanDerWaalsContact CE1-O 3.3Å; Y18-C69 WeakPolarHBondContact CE1-O 3.46Å; Y18-C69 PolarHBondContact OH-O 2.92Å; Y18-I73 HydrophobicContact CE2-CD1 3.85Å; Y18-I73 HydrophobicContact CE2-CG1 4.21Å; Y18-I73 VanDerWaalsContact OH-CG1 3.23Å; Y18-I73 WeakPolarHBondContact OH-CG1 3.37Å; Y18-P101 HydrophobicContact CD1-CG 4.25Å; Y18-P101 HydrophobicContact CE1-CG 3.53Å; Y18-P101 HydrophobicContact CE2-CG 4.44Å
19	S	91.6	Very high	89.4	Confident	56 Å²	56	52.1 Å²	52.1	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-63.3	-43.3	176.4	-176.1	0	0	0	0	111.4	K15 R16 L17 K23	K15-S19 VanDerWaalsContact O-CB 3.24Å; K15-S19 WeakPolarHBondContact O-CB 3.46Å; K15-S19 PolarHBondContact O-N 3.26Å; R16-S19 PolarHBondContact O-N 2.97Å; L17-S19 PolarHBondContact O-N 2.78Å; S19-K23 WeakPolarHBondContact O-CG 3.35Å; S19-K23 PolarHBondContact O-N 3.29Å
20	N	91.1	Very high	89.2	Confident	40 Å²	40	58.8 Å²	58.8	21%	0.214	29%	0.289	C	S	.	.	H	α-helix	trans	-70.7	-38.5	177.5	-72.2	-7.3	0	0	0	111.4	R16 L17 K22 K23 F28 T171	R16-N20 PolarHBondContact O-N 2.8Å; L17-N20 PolarHBondContact O-N 3.39Å; N20-K22 VanDerWaalsContact C-N 3.34Å; N20-K22 PolarHBondContact O-N 3.24Å; N20-K23 PolarHBondContact O-N 3.28Å; N20-F28 HydrophobicContact CB-CD2 4.38Å; N20-F28 HydrophobicContact CB-CE2 4.02Å; N20-T171 WeakPolarHBondContact ND2-CG2 3.41Å; N20-T171 PolarHBondContact ND2-OG1 3.05Å
21	W	91.4	Very high	89.2	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-38.9	175.1	-175.9	26.3	0	0	0	112.4	L17 Y18 A24 F28 V31 D32 I34 F68	L17-W21 WeakPolarHBondContact O-CB 3.45Å; L17-W21 PolarHBondContact O-N 2.91Å; Y18-W21 AromaticContact CD1-CE3 3.96Å; Y18-W21 HydrophobicContact CD1-CE3 3.96Å; Y18-W21 HydrophobicContact CD1-CZ3 4.22Å; Y18-W21 AromaticContact CE1-CE3 3.88Å; Y18-W21 HydrophobicContact CE1-CE3 3.88Å; Y18-W21 AromaticContact CE1-CZ3 3.67Å; Y18-W21 HydrophobicContact CE1-CZ3 3.67Å; Y18-W21 PolarHBondContact O-N 3.12Å; W21-A24 PolarHBondContact O-N 2.95Å; W21-F28 HydrophobicContact CB-CD1 4.12Å; W21-F28 HydrophobicContact CB-CE1 4.37Å; W21-F28 HydrophobicContact CB-CG 4.32Å; W21-F28 AromaticContact CD1-CD1 3.68Å; W21-F28 HydrophobicContact CG-CD1 4.09Å; W21-V31 HydrophobicContact CZ2-CG1 4.31Å; W21-V31 PolarHBondContact NE1-O 2.89Å; W21-D32 WeakPolarHBondContact CH2-O 3.42Å; W21-D32 VanDerWaalsContact CZ2-O 3.26Å; W21-D32 WeakPolarHBondContact CZ2-O 3.48Å; W21-I34 HydrophobicContact CD2-CD1 4.08Å; W21-I34 HydrophobicContact CE3-CD1 4.23Å; W21-I34 HydrophobicContact CG-CD1 4.31Å; W21-F68 WeakPolarHBondContact CH2-O 3.44Å
22	K	88.4	Confident	89.3	Confident	139 Å²	139	59.3 Å²	59.3	60%	0.604	29%	0.292	S	S	*	.	H	α-helix	trans	-69.7	-27.9	176.9	-77.8	-179.8	179.7	-176.8	0	114.2	Y18 N20 A24	Y18-K22 WeakPolarHBondContact O-CB 3.5Å; Y18-K22 VanDerWaalsContact O-CG 3.28Å; Y18-K22 WeakPolarHBondContact O-CG 3.29Å; Y18-K22 PolarHBondContact O-N 2.93Å; N20-K22 VanDerWaalsContact C-N 3.34Å; N20-K22 PolarHBondContact O-N 3.24Å; K22-A24 PolarHBondContact O-N 2.59Å
23	K	87.2	Confident	89.4	Confident	126 Å²	126	53.9 Å²	53.9	55%	0.548	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-19.3	173.4	-75.4	177.1	179.3	-175.6	0	112.6	S19 N20 E25	S19-K23 WeakPolarHBondContact O-CG 3.35Å; S19-K23 PolarHBondContact O-N 3.29Å; N20-K23 PolarHBondContact O-N 3.28Å; K23-E25 HydrophobicContact CB-CG 4.37Å; K23-E25 PolarHBondContact O-N 3.47Å
24	A	77.6	Confident	89.4	Confident	56 Å²	56	52.9 Å²	52.9	46%	0.463	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	29.2	175.3	0	0	0	0	0	114.1	W21 K22 G29	W21-A24 PolarHBondContact O-N 2.95Å; K22-A24 PolarHBondContact O-N 2.59Å; A24-G29 WeakPolarHBondContact O-CA 3.32Å
25	E	80.4	Confident	89.5	Confident	125 Å²	125	53.1 Å²	53.1	58%	0.584	27%	0.27	S	S	*	.			trans	-79.8	148.3	173.5	-68	173.3	-173.1	0	0	110.6	K23 E27 F28	K23-E25 HydrophobicContact CB-CG 4.37Å; K23-E25 PolarHBondContact O-N 3.47Å; E25-E27 PolarHBondContact O-N 3.04Å; E25-F28 WeakPolarHBondContact O-CB 3.41Å; E25-F28 PolarHBondContact O-N 3.37Å; E25-F28 VanDerWaalsContact O-N 3.16Å
26	D	84.9	Confident	89.6	Confident	111 Å²	111	47.7 Å²	47.7	59%	0.594	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	49	-128.4	176.4	-57.5	-40	0	0	0	114.2	F28 G29 V167	D26-F28 VanDerWaalsContact C-N 3.29Å; D26-F28 PolarHBondContact O-N 3.38Å; D26-G29 PolarHBondContact O-N 3.11Å; D26-V167 HydrophobicContact CB-CG1 3.92Å
27	E	86.8	Confident	89.6	Confident	64 Å²	64	45.9 Å²	45.9	30%	0.299	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-68.8	-24.9	-177.9	-61.7	90.3	165.6	0	0	113.1	E25 G29 K30 V31 V162 V167	E25-E27 PolarHBondContact O-N 3.04Å; E27-G29 VanDerWaalsContact C-N 3.26Å; E27-G29 PolarHBondContact O-N 3.41Å; E27-K30 PolarHBondContact O-N 2.87Å; E27-V31 WeakPolarHBondContact O-CG2 3.45Å; E27-V162 HydrophobicContact CB-CG1 4.09Å; E27-V167 HydrophobicContact CB-CG1 4.5Å; E27-V167 HydrophobicContact CB-CG2 4.22Å; E27-V167 WeakPolarHBondContact OE2-CG1 3.31Å
28	F	87.2	Confident	89.4	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.026	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-66.3	-27.1	179.2	-83.6	-41.9	0	0	0	113.2	L17 N20 W21 E25 D26 K30 V31 I34 V167 V168	L17-F28 HydrophobicContact CD1-CZ 4.07Å; N20-F28 HydrophobicContact CB-CD2 4.38Å; N20-F28 HydrophobicContact CB-CE2 4.02Å; W21-F28 HydrophobicContact CB-CD1 4.12Å; W21-F28 HydrophobicContact CB-CE1 4.37Å; W21-F28 HydrophobicContact CB-CG 4.32Å; W21-F28 AromaticContact CD1-CD1 3.68Å; W21-F28 HydrophobicContact CG-CD1 4.09Å; E25-F28 WeakPolarHBondContact O-CB 3.41Å; E25-F28 PolarHBondContact O-N 3.37Å; E25-F28 VanDerWaalsContact O-N 3.16Å; D26-F28 VanDerWaalsContact C-N 3.29Å; D26-F28 PolarHBondContact O-N 3.38Å; F28-K30 PolarHBondContact O-N 3.23Å; F28-V31 PolarHBondContact O-N 3.03Å; F28-I34 HydrophobicContact CD1-CD1 4.46Å; F28-I34 HydrophobicContact CE1-CD1 3.85Å; F28-V167 HydrophobicContact CD1-CG2 4.06Å; F28-V167 HydrophobicContact CD2-CB 3.76Å; F28-V167 HydrophobicContact CD2-CG1 4.31Å; F28-V167 HydrophobicContact CD2-CG2 3.86Å; F28-V167 HydrophobicContact CE1-CG2 3.91Å; F28-V167 HydrophobicContact CE2-CB 3.61Å; F28-V167 HydrophobicContact CE2-CG2 3.74Å; F28-V167 HydrophobicContact CG-CB 4.38Å; F28-V167 HydrophobicContact CG-CG2 4.01Å; F28-V167 HydrophobicContact CZ-CB 4.09Å; F28-V167 HydrophobicContact CZ-CG2 3.75Å; F28-V168 HydrophobicContact CE1-CG2 4.33Å; F28-V168 HydrophobicContact CZ-CG2 3.97Å
29	G	85.3	Confident	89.2	Confident	40 Å²	40	45.6 Å²	45.6	41%	0.412	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-66.5	-18.3	178	0	0	0	0	0	114.2	A24 D26 E27	A24-G29 WeakPolarHBondContact O-CA 3.32Å; D26-G29 PolarHBondContact O-N 3.11Å; E27-G29 VanDerWaalsContact C-N 3.26Å; E27-G29 PolarHBondContact O-N 3.41Å
30	K	87.5	Confident	88.7	Confident	145 Å²	145	45.2 Å²	45.2	63%	0.63	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-105.3	14	-177	-57.2	178.1	-174.9	172.6	0	113.4	E27 F28 T133 V162	E27-K30 PolarHBondContact O-N 2.87Å; F28-K30 PolarHBondContact O-N 3.23Å; K30-T133 WeakPolarHBondContact O-CB 3.16Å; K30-T133 PolarHBondContact O-OG1 3.44Å; K30-V162 HydrophobicContact CB-CG2 4.34Å
31	V	92.6	Very high	87.8	Confident	2 Å²	2	45 Å²	45	1%	0.012	24%	0.235	C	C	.	.			trans	-120.1	123	-170.5	172.6	0	0	0	0	111.2	W21 E27 F28 A33 I34 K129 V162 I164	W21-V31 HydrophobicContact CZ2-CG1 4.31Å; W21-V31 PolarHBondContact NE1-O 2.89Å; E27-V31 WeakPolarHBondContact O-CG2 3.45Å; F28-V31 PolarHBondContact O-N 3.03Å; V31-A33 VanDerWaalsContact CG1-O 3.26Å; V31-A33 WeakPolarHBondContact CG1-O 3.46Å; V31-I34 HydrophobicContact CG1-CG1 3.97Å; V31-K129 PolarHBondContact O-NZ 2.97Å; V31-V162 HydrophobicContact CG2-CB 3.94Å; V31-V162 HydrophobicContact CG2-CG1 4.13Å; V31-V162 HydrophobicContact CG2-CG2 4.42Å; V31-I164 HydrophobicContact CG2-CG2 3.75Å
32	D	92.3	Very high	86.5	Confident	13 Å²	13	53.1 Å²	53.1	7%	0.07	27%	0.273	C	S	.	.	S	Bend	trans	-88.4	-34.6	177.3	-61.8	-48.2	0	0	0	113.3	W21 S128 K129 E130 G131 K132 T133	W21-D32 WeakPolarHBondContact CH2-O 3.42Å; W21-D32 VanDerWaalsContact CZ2-O 3.26Å; W21-D32 WeakPolarHBondContact CZ2-O 3.48Å; D32-S128 WeakPolarHBondContact CB-O 3.39Å; D32-S128 WeakPolarHBondContact O-CB 3.47Å; D32-S128 PolarHBondContact O-OG 3.09Å; D32-K129 HydrophobicContact CB-CB 4.03Å; D32-K129 VanDerWaalsContact OD1-CB 3.24Å; D32-K129 WeakPolarHBondContact OD1-CB 3.12Å; D32-E130 PolarHBondContact OD1-N 3.06Å; D32-E130 VanDerWaalsContact OD1-N 3.17Å; D32-G131 PolarHBondContact OD2-N 3.44Å; D32-K132 PolarHBondContact OD2-N 3.07Å; D32-T133 WeakPolarHBondContact CA-O 3.42Å; D32-T133 VanDerWaalsContact CB-O 3.24Å; D32-T133 WeakPolarHBondContact CB-O 3.34Å; D32-T133 PolarHBondContact N-O 3Å; D32-T133 PolarHBondContact N-OG1 3.31Å; D32-T133 VanDerWaalsContact N-OG1 3.15Å; D32-T133 PolarHBondContact OD2-N 3.41Å; D32-T133 PolarHBondContact OD2-OG1 3.34Å
33	A	94.1	Very high	85.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	148	172.9	0	0	0	0	0	111.3	V31 F68 I125 T133 I134 G135	V31-A33 VanDerWaalsContact CG1-O 3.26Å; V31-A33 WeakPolarHBondContact CG1-O 3.46Å; A33-F68 WeakPolarHBondContact CA-O 3.49Å; A33-I125 HydrophobicContact CB-CB 4.43Å; A33-I125 HydrophobicContact CB-CG1 4.15Å; A33-I125 HydrophobicContact CB-CG2 4.12Å; A33-T133 PolarHBondContact N-O 3.41Å; A33-I134 CarbonylContact O-C 3.45Å; A33-I134 VanDerWaalsContact O-CA 3.29Å; A33-I134 WeakPolarHBondContact O-CA 3.5Å; A33-G135 PolarHBondContact O-N 3.45Å
34	I	95.4	Very high	83.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.4	174.9	-59.9	169.4	0	0	0	109	W21 F28 V31 V36 V67 F68 I164	W21-I34 HydrophobicContact CD2-CD1 4.08Å; W21-I34 HydrophobicContact CE3-CD1 4.23Å; W21-I34 HydrophobicContact CG-CD1 4.31Å; F28-I34 HydrophobicContact CD1-CD1 4.46Å; F28-I34 HydrophobicContact CE1-CD1 3.85Å; V31-I34 HydrophobicContact CG1-CG1 3.97Å; I34-V36 HydrophobicContact CG2-CG2 4.04Å; I34-V67 WeakPolarHBondContact O-CA 3.4Å; I34-F68 HydrophobicContact CB-CB 4.17Å; I34-F68 HydrophobicContact CB-CD2 4.1Å; I34-F68 HydrophobicContact CG2-CD2 4.02Å; I34-F68 PolarHBondContact N-O 3Å; I34-F68 PolarHBondContact O-N 2.93Å; I34-I164 HydrophobicContact CB-CD1 4.24Å; I34-I164 HydrophobicContact CD1-CD1 4.21Å; I34-I164 HydrophobicContact CG1-CD1 3.95Å; I34-I164 HydrophobicContact CG2-CD1 3.42Å; I34-I164 VanDerWaalsContact CG2-CD1 3.42Å
35	V	94.9	Very high	83.1	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.9	179.9	179.7	0	0	0	0	109.2	V67 I125 I134 G135 V136 W150	V35-V67 HydrophobicContact CG2-CG2 4.48Å; V35-I125 HydrophobicContact CG2-CD1 3.76Å; V35-I125 HydrophobicContact CG2-CG1 4.4Å; V35-I134 HydrophobicContact CG2-CB 4.26Å; V35-I134 HydrophobicContact CG2-CG2 4.18Å; V35-G135 PolarHBondContact N-O 2.88Å; V35-V136 HydrophobicContact CB-CG1 4.32Å; V35-W150 HydrophobicContact CG1-CZ2 3.79Å
36	V	95.1	Very high	83.4	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.7	177.2	-175.4	0	0	0	0	108.7	I34 I52 M66 F68 F137	I34-V36 HydrophobicContact CG2-CG2 4.04Å; V36-I52 HydrophobicContact CG1-CG2 3.83Å; V36-I52 HydrophobicContact CG2-CG2 4.35Å; V36-M66 HydrophobicContact CB-CB 4.37Å; V36-M66 HydrophobicContact CB-CE 3.66Å; V36-M66 HydrophobicContact CG1-CE 3.51Å; V36-M66 HydrophobicContact CG2-CE 4.35Å; V36-M66 PolarHBondContact N-O 2.97Å; V36-M66 PolarHBondContact O-N 3.01Å; V36-F68 HydrophobicContact CG2-CE2 4.12Å; V36-F137 HydrophobicContact CB-CE2 4.43Å; V36-F137 HydrophobicContact CG1-CD2 4.3Å; V36-F137 HydrophobicContact CG1-CE2 3.99Å; V36-F137 HydrophobicContact CG2-CD2 4.33Å; V36-F137 HydrophobicContact CG2-CE2 3.66Å; V36-F137 HydrophobicContact CG2-CZ 4.4Å
37	S	91.6	Very high	83.7	Confident	22 Å²	22	44.8 Å²	44.8	15%	0.154	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.7	-177.5	57.5	0	0	0	0	110.6	F142	S37-F142 VanDerWaalsContact O-CD2 3.26Å; S37-F142 WeakPolarHBondContact O-CD2 3.32Å; S37-F142 WeakPolarHBondContact O-CE2 3.46Å
38	V	90.9	Very high	84	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.4	177.1	-179.3	0	0	0	0	108.8	T50 Q53 D63 T64 F142 M147	V38-T50 HydrophobicContact CG1-CG2 3.78Å; V38-T50 HydrophobicContact CG2-CG2 4.11Å; V38-Q53 HydrophobicContact CG2-CG 4.47Å; V38-Q53 VanDerWaalsContact CG2-NE2 3.34Å; V38-D63 CarbonylContact O-C 3.54Å; V38-D63 WeakPolarHBondContact O-CA 3.3Å; V38-D63 PolarHBondContact O-N 2.97Å; V38-T64 PolarHBondContact N-O 2.88Å; V38-T64 PolarHBondContact O-N 3.37Å; V38-F142 HydrophobicContact CB-CE2 4.46Å; V38-F142 HydrophobicContact CB-CZ 4.46Å; V38-F142 HydrophobicContact CG1-CD1 4.32Å; V38-F142 HydrophobicContact CG1-CE1 3.98Å; V38-F142 HydrophobicContact CG1-CZ 4.1Å; V38-F142 HydrophobicContact CG2-CE2 4.25Å; V38-F142 HydrophobicContact CG2-CZ 4.21Å; V38-M147 WeakPolarHBondContact O-CE 3.4Å
39	G	86.2	Confident	84.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.			trans	-97.4	-141	178.3	0	0	0	0	0	112.7	T62 D63 F142	G39-T62 WeakPolarHBondContact O-CA 3.41Å; G39-T62 VanDerWaalsContact O-CB 3.29Å; G39-T62 WeakPolarHBondContact O-CB 3.33Å; G39-D63 PolarHBondContact O-N 3.25Å; G39-F142 VanDerWaalsContact N-CB 3.33Å; G39-F142 VanDerWaalsContact N-CG 3.32Å
40	V	82.8	Confident	84.6	Confident	48 Å²	48	40.8 Å²	40.8	29%	0.291	20%	0.202	S	C	.	.			trans	-78.1	136	170.1	179.8	0	0	0	0	108.5	E42 P143	V40-E42 HydrophobicContact CG1-CG 3.88Å; V40-P143 PolarHBondContact N-O 3.16Å; V40-P143 WeakPolarHBondContact O-CD 3.16Å
41	D	70.9	Confident	84.9	Confident	36 Å²	36	34 Å²	34	19%	0.193	17%	0.172	C	C	.	.			trans	-126	82.5	-176.8	-160.2	-9.6	0	0	0	110.4	I44 E60 T62	D41-I44 VanDerWaalsContact OD1-CA 3.29Å; D41-I44 WeakPolarHBondContact OD1-CA 3.38Å; D41-I44 VanDerWaalsContact OD1-CB 3.23Å; D41-I44 WeakPolarHBondContact OD1-CB 3.49Å; D41-I44 PolarHBondContact OD1-N 3.02Å; D41-I44 VanDerWaalsContact OD1-O 3.1Å; D41-E60 WeakPolarHBondContact CB-OE1 3.22Å; D41-T62 HydrophobicContact CB-CG2 4.13Å
42	E	65.4	Low	85	Confident	174 Å²	174	34 Å²	34	81%	0.813	17%	0.172	S	C	*	.	S	Bend	trans	-100.5	-19.8	178	-73.4	175	-167.7	0	0	112.4	V40	V40-E42 HydrophobicContact CG1-CG 3.88Å
43	E	58.2	Low	85.1	Confident	183 Å²	183	33.3 Å²	33.3	86%	0.855	17%	0.169	S	C	*	.	S	Bend	trans	-137.1	-7.2	-175.4	-66.6	-174.6	171.2	0	0	114.3	V45	E43-V45 PolarHBondContact O-N 3.45Å
44	I	57.1	Low	85.1	Confident	54 Å²	54	33.6 Å²	33.6	28%	0.277	17%	0.17	S	C	.	.			trans	-94.3	86.2	-172	-53.7	176.1	0	0	0	110	D41 Y46 A47 F142	D41-I44 VanDerWaalsContact OD1-CA 3.29Å; D41-I44 WeakPolarHBondContact OD1-CA 3.38Å; D41-I44 VanDerWaalsContact OD1-CB 3.23Å; D41-I44 WeakPolarHBondContact OD1-CB 3.49Å; D41-I44 PolarHBondContact OD1-N 3.02Å; D41-I44 VanDerWaalsContact OD1-O 3.1Å; I44-Y46 VanDerWaalsContact C-N 3.27Å; I44-Y46 PolarHBondContact O-N 3.37Å; I44-A47 HydrophobicContact CG2-CB 3.93Å; I44-F142 HydrophobicContact CD1-CD1 3.8Å; I44-F142 HydrophobicContact CD1-CE1 4.06Å
45	V	65.8	Low	85.1	Confident	79 Å²	79	33.6 Å²	33.6	48%	0.479	17%	0.17	S	C	.	.	S	Bend	trans	-61	-33.4	-177.8	-171	0	0	0	0	113.2	E43	E43-V45 PolarHBondContact O-N 3.45Å
46	Y	86.6	Confident	85.1	Confident	62 Å²	62	33.4 Å²	33.4	24%	0.243	17%	0.169	C	C	.	.			trans	-138.2	120.8	-179.7	-59.1	-69.3	0	0	0	112.2	I44 C242 C283 I354 E355 F356	I44-Y46 VanDerWaalsContact C-N 3.27Å; I44-Y46 PolarHBondContact O-N 3.37Å; Y46-C242 WeakPolarHBondContact CE2-O 3.36Å; Y46-C242 WeakPolarHBondContact OH-CA 3.3Å; Y46-C242 PolarHBondContact OH-O 2.64Å; Y46-C283 PolarHBondContact OH-SG 2.91Å; Y46-C283 VanDerWaalsContact OH-SG 3.34Å; Y46-I354 WeakPolarHBondContact CE1-O 3.46Å; Y46-E355 HydrophobicContact CD1-CB 4.38Å; Y46-E355 HydrophobicContact CD1-CG 4.32Å; Y46-F356 HydrophobicContact CD2-CB 4.23Å; Y46-F356 HydrophobicContact CE1-CB 3.97Å; Y46-F356 HydrophobicContact CE2-CB 3.61Å; Y46-F356 VanDerWaalsContact CZ-CB 3.48Å
47	A	90.6	Very high	85	Confident	4 Å²	4	33.6 Å²	33.6	3%	0.033	17%	0.17	C	C	.	.			trans	-140	150	168.9	0	0	0	0	0	109.8	I44 S49 T50 A51 F142	I44-A47 HydrophobicContact CG2-CB 3.93Å; A47-S49 PolarHBondContact O-N 3.27Å; A47-T50 PolarHBondContact N-OG1 3.39Å; A47-T50 PolarHBondContact O-N 3.14Å; A47-T50 PolarHBondContact O-OG1 3.42Å; A47-A51 VanDerWaalsContact O-CB 3.31Å; A47-A51 WeakPolarHBondContact O-CB 3.41Å; A47-A51 PolarHBondContact O-N 2.95Å; A47-F142 HydrophobicContact CB-CE1 4.29Å; A47-F142 HydrophobicContact CB-CZ 3.64Å
48	K	92.6	Very high	84.9	Confident	17 Å²	17	34.5 Å²	34.5	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-34.7	178.5	-78.4	-84.1	177.5	-93.6	0	111.3	A51 I52 F137 D140 E355 E358	K48-A51 PolarHBondContact O-N 2.91Å; K48-I52 WeakPolarHBondContact O-CG2 3.45Å; K48-I52 PolarHBondContact O-N 3.28Å; K48-F137 HydrophobicContact CB-CB 4.07Å; K48-F137 HydrophobicContact CB-CD1 3.65Å; K48-F137 HydrophobicContact CB-CD2 3.81Å; K48-F137 HydrophobicContact CB-CE1 3.97Å; K48-F137 HydrophobicContact CB-CE2 4.1Å; K48-F137 HydrophobicContact CB-CG 3.55Å; K48-F137 HydrophobicContact CB-CZ 4.19Å; K48-F137 HydrophobicContact CG-CD1 4.26Å; K48-D140 PolarHBondContact N-OD1 3.46Å; K48-D140 PolarHBondContact N-OD2 2.84Å; K48-E355 VanDerWaalsContact CD-OE2 3.27Å; K48-E355 WeakPolarHBondContact CD-OE2 3.49Å; K48-E355 WeakPolarHBondContact CE-OE2 3.37Å; K48-E355 IonicContact NZ-OE1 2.67Å; K48-E355 PolarHBondContact NZ-OE1 2.76Å; K48-E355 IonicContact NZ-OE2 3.22Å; K48-E355 PolarHBondContact NZ-OE2 2.81Å; K48-E358 VanDerWaalsContact NZ-CD 3.25Å; K48-E358 IonicContact NZ-OE1 3.86Å; K48-E358 PolarHBondContact NZ-OE1 2.92Å; K48-E358 IonicContact NZ-OE2 2.59Å; K48-E358 PolarHBondContact NZ-OE2 3.28Å
49	S	93.1	Very high	84.9	Confident	4 Å²	4	39.6 Å²	39.6	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-40.4	177.3	-57.6	0	0	0	0	112.9	A47 I52 Q53 F137 D140	A47-S49 PolarHBondContact O-N 3.27Å; S49-I52 VanDerWaalsContact O-CG2 3.32Å; S49-I52 WeakPolarHBondContact O-CG2 3.33Å; S49-Q53 WeakPolarHBondContact O-CG 3.47Å; S49-Q53 PolarHBondContact O-N 3.18Å; S49-F137 WeakPolarHBondContact OG-CD2 3.29Å; S49-D140 VanDerWaalsContact CB-OD2 3.23Å; S49-D140 WeakPolarHBondContact CB-OD2 3.36Å; S49-D140 PolarHBondContact N-OD2 3.36Å; S49-D140 PolarHBondContact OG-OD2 3.39Å
50	T	92.8	Very high	85.1	Confident	6 Å²	6	43.2 Å²	43.2	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-76.9	-36.7	175.5	52.7	0	0	0	0	110.7	V38 A47 I52 Q53 T54 E60 F142	V38-T50 HydrophobicContact CG1-CG2 3.78Å; V38-T50 HydrophobicContact CG2-CG2 4.11Å; A47-T50 PolarHBondContact N-OG1 3.39Å; A47-T50 PolarHBondContact O-N 3.14Å; A47-T50 PolarHBondContact O-OG1 3.42Å; T50-I52 PolarHBondContact O-N 3.24Å; T50-Q53 WeakPolarHBondContact O-CB 3.44Å; T50-Q53 PolarHBondContact O-N 2.96Å; T50-T54 PolarHBondContact O-N 2.9Å; T50-T54 PolarHBondContact O-OG1 2.85Å; T50-E60 HydrophobicContact CG2-CG 3.68Å; T50-F142 HydrophobicContact CG2-CE1 4.07Å; T50-F142 HydrophobicContact CG2-CZ 3.97Å
51	A	94	Very high	85.4	Confident	2 Å²	2	41.4 Å²	41.4	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-43.8	176	0	0	0	0	0	112.8	A47 K48 Q53 T54 W55 M172 I354 E355	A47-A51 VanDerWaalsContact O-CB 3.31Å; A47-A51 WeakPolarHBondContact O-CB 3.41Å; A47-A51 PolarHBondContact O-N 2.95Å; K48-A51 PolarHBondContact O-N 2.91Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-T54 PolarHBondContact O-N 2.87Å; A51-W55 VanDerWaalsContact O-CB 3.29Å; A51-W55 WeakPolarHBondContact O-CB 3.21Å; A51-W55 PolarHBondContact O-N 2.86Å; A51-M172 HydrophobicContact CB-CE 4.18Å; A51-I354 HydrophobicContact CB-CB 4.4Å; A51-I354 HydrophobicContact CB-CG2 4.04Å; A51-I354 WeakPolarHBondContact O-CD1 3.45Å; A51-E355 HydrophobicContact CB-CG 3.79Å; A51-E355 VanDerWaalsContact CB-OE2 3.22Å; A51-E355 WeakPolarHBondContact CB-OE2 3.48Å
52	I	94.9	Very high	86.4	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-69.5	-31.7	177.3	-162	173.8	0	0	0	112.2	L17 V36 K48 S49 T50 W55 L56 M66 F137 V168 M172	L17-I52 HydrophobicContact CD2-CD1 4.17Å; V36-I52 HydrophobicContact CG1-CG2 3.83Å; V36-I52 HydrophobicContact CG2-CG2 4.35Å; K48-I52 WeakPolarHBondContact O-CG2 3.45Å; K48-I52 PolarHBondContact O-N 3.28Å; S49-I52 VanDerWaalsContact O-CG2 3.32Å; S49-I52 WeakPolarHBondContact O-CG2 3.33Å; T50-I52 PolarHBondContact O-N 3.24Å; I52-W55 HydrophobicContact CG1-CE3 4.45Å; I52-W55 PolarHBondContact O-N 2.83Å; I52-L56 HydrophobicContact CG1-CD1 4.09Å; I52-L56 HydrophobicContact CG1-CG 4.36Å; I52-L56 WeakPolarHBondContact O-CB 3.4Å; I52-L56 VanDerWaalsContact O-CG 3.29Å; I52-L56 WeakPolarHBondContact O-CG 3.19Å; I52-L56 PolarHBondContact O-N 3.3Å; I52-M66 HydrophobicContact CG2-CE 4.03Å; I52-F137 HydrophobicContact CD1-CZ 4.43Å; I52-F137 HydrophobicContact CG2-CE2 4.14Å; I52-V168 HydrophobicContact CD1-CG1 4.21Å; I52-M172 HydrophobicContact CB-SD 4.32Å; I52-M172 HydrophobicContact CG1-SD 4.35Å
53	Q	93.9	Very high	87.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-48.8	172.3	-74.9	-178.6	-11.7	0	0	111.2	V38 S49 T50 A51 W55 L56 F57 Y59 L61 M66	V38-Q53 HydrophobicContact CG2-CG 4.47Å; V38-Q53 VanDerWaalsContact CG2-NE2 3.34Å; S49-Q53 WeakPolarHBondContact O-CG 3.47Å; S49-Q53 PolarHBondContact O-N 3.18Å; T50-Q53 WeakPolarHBondContact O-CB 3.44Å; T50-Q53 PolarHBondContact O-N 2.96Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-W55 VanDerWaalsContact C-N 3.27Å; Q53-W55 PolarHBondContact O-N 2.76Å; Q53-L56 PolarHBondContact O-N 3.04Å; Q53-F57 HydrophobicContact CB-CD2 4.2Å; Q53-F57 HydrophobicContact CG-CD2 4.48Å; Q53-F57 HydrophobicContact CG-CE2 4.36Å; Q53-F57 WeakPolarHBondContact O-CB 3.2Å; Q53-F57 WeakPolarHBondContact O-CD2 3.32Å; Q53-F57 PolarHBondContact O-N 3.37Å; Q53-Y59 CarbonylContact C-O 3.55Å; Q53-L61 PolarHBondContact NE2-O 2.94Å; Q53-L61 VanDerWaalsContact NE2-O 3.09Å; Q53-L61 PolarHBondContact OE1-O 3.1Å; Q53-M66 HydrophobicContact CG-CE 3.49Å; Q53-M66 VanDerWaalsContact CG-CE 3.49Å; Q53-M66 HydrophobicContact CG-SD 3.95Å
54	T	94.2	Very high	89.2	Confident	5 Å²	5	26.6 Å²	26.6	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-39.2	175.5	-61.6	0	0	0	0	111.1	T50 A51 G58 I354	T50-T54 PolarHBondContact O-N 2.9Å; T50-T54 PolarHBondContact O-OG1 2.85Å; A51-T54 PolarHBondContact O-N 2.87Å; T54-G58 WeakPolarHBondContact O-CA 3.23Å; T54-G58 PolarHBondContact O-N 2.6Å; T54-I354 HydrophobicContact CG2-CD1 3.97Å; T54-I354 HydrophobicContact CG2-CG1 4.26Å; T54-I354 HydrophobicContact CG2-CG2 3.97Å
55	W	95.7	Very high	91	Very high	2 Å²	2	24 Å²	24	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-66.2	-43.4	175.7	-171.1	62.1	0	0	0	112.2	R13 R16 A51 I52 Q53 T171 M172 E179 I354	R13-W55 HydrophobicContact CB-CD2 4.03Å; R13-W55 HydrophobicContact CB-CE3 3.99Å; R13-W55 HydrophobicContact CB-CH2 3.59Å; R13-W55 HydrophobicContact CB-CZ2 3.61Å; R13-W55 HydrophobicContact CB-CZ3 3.78Å; R13-W55 WeakPolarHBondContact CD-O 3.34Å; R13-W55 HydrophobicContact CG-CD2 4.11Å; R13-W55 HydrophobicContact CG-CH2 4.11Å; R13-W55 HydrophobicContact CG-CZ2 3.57Å; R13-W55 PolarHBondContact NH1-O 3.42Å; R13-W55 WeakPolarHBondContact O-CH2 3.42Å; R13-W55 WeakPolarHBondContact O-CZ3 3.42Å; R16-W55 HydrophobicContact CB-CH2 4.41Å; R16-W55 HydrophobicContact CG-CH2 4.48Å; A51-W55 VanDerWaalsContact O-CB 3.29Å; A51-W55 WeakPolarHBondContact O-CB 3.21Å; A51-W55 PolarHBondContact O-N 2.86Å; I52-W55 HydrophobicContact CG1-CE3 4.45Å; I52-W55 PolarHBondContact O-N 2.83Å; Q53-W55 VanDerWaalsContact C-N 3.27Å; Q53-W55 PolarHBondContact O-N 2.76Å; W55-T171 HydrophobicContact CH2-CG2 4.36Å; W55-M172 HydrophobicContact CB-CE 3.68Å; W55-M172 HydrophobicContact CB-SD 4.4Å; W55-M172 HydrophobicContact CD2-CE 4.4Å; W55-M172 HydrophobicContact CD2-CG 3.79Å; W55-M172 HydrophobicContact CD2-SD 4.3Å; W55-M172 HydrophobicContact CE3-CG 3.87Å; W55-M172 HydrophobicContact CE3-SD 4.23Å; W55-M172 HydrophobicContact CG-CE 3.91Å; W55-M172 HydrophobicContact CG-CG 4.23Å; W55-M172 HydrophobicContact CG-SD 4.4Å; W55-M172 HydrophobicContact CH2-CG 4.4Å; W55-M172 HydrophobicContact CZ2-CG 4.34Å; W55-M172 HydrophobicContact CZ3-CG 4.18Å; W55-E179 VanDerWaalsContact CD1-OE1 3.29Å; W55-I354 HydrophobicContact CB-CD1 3.67Å; W55-I354 HydrophobicContact CG-CD1 4.39Å
56	L	94.3	Very high	92.4	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-77.6	-38.5	-178.2	-71.6	174.1	0	0	0	113.3	Y10 R13 I14 I52 Q53 F68	Y10-L56 WeakPolarHBondContact CB-O 3.45Å; Y10-L56 HydrophobicContact CD2-CB 4.13Å; Y10-L56 HydrophobicContact CD2-CD2 4.4Å; Y10-L56 WeakPolarHBondContact CD2-O 3.45Å; Y10-L56 HydrophobicContact CE2-CB 4.4Å; Y10-L56 HydrophobicContact CE2-CD2 4.48Å; R13-L56 HydrophobicContact CB-CD2 3.98Å; I14-L56 HydrophobicContact CB-CD2 4.05Å; I14-L56 HydrophobicContact CD1-CD1 4.24Å; I14-L56 HydrophobicContact CD1-CD2 4.09Å; I52-L56 HydrophobicContact CG1-CD1 4.09Å; I52-L56 HydrophobicContact CG1-CG 4.36Å; I52-L56 WeakPolarHBondContact O-CB 3.4Å; I52-L56 VanDerWaalsContact O-CG 3.29Å; I52-L56 WeakPolarHBondContact O-CG 3.19Å; I52-L56 PolarHBondContact O-N 3.3Å; Q53-L56 PolarHBondContact O-N 3.04Å; L56-F68 HydrophobicContact CD1-CE1 4.36Å; L56-F68 HydrophobicContact CD1-CZ 3.99Å
57	F	93.1	Very high	92.8	Very high	5 Å²	5	17.3 Å²	17.3	2%	0.022	10%	0.095	C	C	.	.	H	α-helix	trans	-114.5	-14.9	-168.1	-50.2	-53.5	0	0	0	114	L5 Y10 Q53 Y59 L61 M66 F75 F84 L85	L5-F57 HydrophobicContact CD1-CB 4.48Å; L5-F57 HydrophobicContact CD1-CD1 4.06Å; Y10-F57 AromaticContact CD2-CD1 3.93Å; Y10-F57 HydrophobicContact CD2-CD1 3.93Å; Y10-F57 AromaticContact CD2-CE1 3.76Å; Y10-F57 HydrophobicContact CD2-CE1 3.76Å; Y10-F57 HydrophobicContact CE2-CD1 4.21Å; Y10-F57 AromaticContact CE2-CE1 3.55Å; Y10-F57 HydrophobicContact CE2-CE1 3.55Å; Y10-F57 HydrophobicContact CE2-CZ 4.41Å; Q53-F57 HydrophobicContact CB-CD2 4.2Å; Q53-F57 HydrophobicContact CG-CD2 4.48Å; Q53-F57 HydrophobicContact CG-CE2 4.36Å; Q53-F57 WeakPolarHBondContact O-CB 3.2Å; Q53-F57 WeakPolarHBondContact O-CD2 3.32Å; Q53-F57 PolarHBondContact O-N 3.37Å; F57-Y59 VanDerWaalsContact O-CD2 3.27Å; F57-Y59 WeakPolarHBondContact O-CD2 3.47Å; F57-Y59 PolarHBondContact O-N 2.84Å; F57-L61 HydrophobicContact CD2-CD1 3.8Å; F57-L61 HydrophobicContact CE2-CD1 4.04Å; F57-L61 HydrophobicContact CG-CD1 4.48Å; F57-M66 HydrophobicContact CE2-SD 3.56Å; F57-M66 VanDerWaalsContact CE2-SD 3.56Å; F57-M66 HydrophobicContact CZ-SD 3.91Å; F57-F75 HydrophobicContact CE1-CE2 4.17Å; F57-F75 HydrophobicContact CE1-CZ 4.22Å; F57-F75 HydrophobicContact CZ-CE1 4.25Å; F57-F75 HydrophobicContact CZ-CE2 4Å; F57-F75 AromaticContact CZ-CZ 3.79Å; F57-F75 HydrophobicContact CZ-CZ 3.79Å; F57-F84 HydrophobicContact CB-CE1 4.32Å; F57-L85 HydrophobicContact CD1-CD2 3.96Å; F57-L85 HydrophobicContact CE1-CD2 3.68Å; F57-L85 HydrophobicContact CE2-CD2 4.35Å; F57-L85 HydrophobicContact CG-CD2 4.39Å; F57-L85 HydrophobicContact CZ-CD2 3.9Å
58	G	90.4	Very high	93.1	Very high	40 Å²	40	17.1 Å²	17.1	41%	0.412	9%	0.093	S	C	.	.	S	Bend	trans	78.7	1.1	-170.5	0	0	0	0	0	114.2	T54	T54-G58 WeakPolarHBondContact O-CA 3.23Å; T54-G58 PolarHBondContact O-N 2.6Å
59	Y	90.2	Very high	93.1	Very high	107 Å²	107	16.3 Å²	16.3	42%	0.42	9%	0.09	S	C	.	.	S	Bend	trans	-144.4	150.8	-176.7	-57.7	-86.8	0	0	0	111.2	V3 Q53 F57 F84	V3-Y59 HydrophobicContact CG1-CD1 4.38Å; V3-Y59 HydrophobicContact CG1-CD2 4.27Å; V3-Y59 HydrophobicContact CG1-CE1 3.68Å; V3-Y59 HydrophobicContact CG1-CE2 3.57Å; V3-Y59 VanDerWaalsContact CG1-OH 3.27Å; V3-Y59 WeakPolarHBondContact CG1-OH 3.4Å; Q53-Y59 CarbonylContact C-O 3.55Å; F57-Y59 VanDerWaalsContact O-CD2 3.27Å; F57-Y59 WeakPolarHBondContact O-CD2 3.47Å; F57-Y59 PolarHBondContact O-N 2.84Å; Y59-F84 HydrophobicContact CD2-CE1 4.48Å; Y59-F84 HydrophobicContact CD2-CE2 4.24Å; Y59-F84 AromaticContact CD2-CZ 3.63Å; Y59-F84 HydrophobicContact CD2-CZ 3.63Å; Y59-F84 HydrophobicContact CE2-CE2 4.3Å; Y59-F84 HydrophobicContact CE2-CZ 4.07Å
60	E	89.5	Confident	92.9	Very high	76 Å²	76	20.7 Å²	20.7	36%	0.355	11%	0.11	S	C	.	.			trans	-80.9	136.1	169.3	-163.8	-166.9	127.2	0	0	111.3	D41 T50 T62	D41-E60 WeakPolarHBondContact CB-OE1 3.22Å; T50-E60 HydrophobicContact CG2-CG 3.68Å; E60-T62 WeakPolarHBondContact OE1-CG2 3.38Å
61	L	90.8	Very high	92.6	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.052	13%	0.134	C	C	.	.			trans	-122.3	89	179.9	-59.5	178.1	0	0	0	109.7	Q53 F57 T64 K81 F84 L85	Q53-L61 PolarHBondContact NE2-O 2.94Å; Q53-L61 VanDerWaalsContact NE2-O 3.09Å; Q53-L61 PolarHBondContact OE1-O 3.1Å; F57-L61 HydrophobicContact CD2-CD1 3.8Å; F57-L61 HydrophobicContact CE2-CD1 4.04Å; F57-L61 HydrophobicContact CG-CD1 4.48Å; L61-T64 HydrophobicContact CB-CG2 4.36Å; L61-T64 WeakPolarHBondContact O-CB 3.43Å; L61-T64 PolarHBondContact O-OG1 3.33Å; L61-T64 VanDerWaalsContact O-OG1 3.1Å; L61-K81 HydrophobicContact CB-CD 4.34Å; L61-K81 HydrophobicContact CD2-CD 4.12Å; L61-K81 HydrophobicContact CD2-CG 4.22Å; L61-F84 HydrophobicContact CD2-CD1 4.4Å; L61-F84 HydrophobicContact CD2-CE1 4.46Å; L61-L85 HydrophobicContact CD1-CD1 4.3Å; L61-L85 HydrophobicContact CD1-CD2 4.07Å; L61-L85 HydrophobicContact CD1-CG 4.39Å
62	T	90.6	Very high	92.5	Very high	51 Å²	51	27.7 Å²	27.7	31%	0.313	15%	0.147	S	C	.	.	S	Bend	trans	-55.2	159.2	170.6	57.5	0	0	0	0	113.4	G39 D41 E60 T64 K81	G39-T62 WeakPolarHBondContact O-CA 3.41Å; G39-T62 VanDerWaalsContact O-CB 3.29Å; G39-T62 WeakPolarHBondContact O-CB 3.33Å; D41-T62 HydrophobicContact CB-CG2 4.13Å; E60-T62 WeakPolarHBondContact OE1-CG2 3.38Å; T62-T64 PolarHBondContact O-N 3.1Å; T62-T64 VanDerWaalsContact O-N 3.1Å; T62-T64 PolarHBondContact O-OG1 2.96Å; T62-K81 VanDerWaalsContact C-NZ 3.33Å; T62-K81 PolarHBondContact O-NZ 2.9Å; T62-K81 PolarHBondContact OG1-NZ 2.91Å
63	D	89.9	Confident	92.4	Very high	31 Å²	31	27.7 Å²	27.7	17%	0.166	15%	0.146	C	C	.	.	S	Bend	trans	49.9	38.9	177.9	-85.9	-23.2	0	0	0	113.9	V38 G39 R108 Y146	V38-D63 CarbonylContact O-C 3.54Å; V38-D63 WeakPolarHBondContact O-CA 3.3Å; V38-D63 PolarHBondContact O-N 2.97Å; G39-D63 PolarHBondContact O-N 3.25Å; D63-R108 IonicContact OD1-NH1 2.8Å; D63-R108 PolarHBondContact OD1-NH1 3.19Å; D63-R108 IonicContact OD2-CZ 3.17Å; D63-R108 IonicContact OD2-NH1 3.04Å; D63-R108 PolarHBondContact OD2-NH1 3.29Å; D63-R108 IonicContact OD2-NH2 2.78Å; D63-R108 PolarHBondContact OD2-NH2 3.4Å; D63-Y146 HydrophobicContact CB-CD1 4.26Å; D63-Y146 WeakPolarHBondContact O-CE1 3.39Å
64	T	92.5	Very high	92.5	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.8	-174.3	-58.3	0	0	0	0	110.7	V38 L61 T62 M66 L76 A77	V38-T64 PolarHBondContact N-O 2.88Å; V38-T64 PolarHBondContact O-N 3.37Å; L61-T64 HydrophobicContact CB-CG2 4.36Å; L61-T64 WeakPolarHBondContact O-CB 3.43Å; L61-T64 PolarHBondContact O-OG1 3.33Å; L61-T64 VanDerWaalsContact O-OG1 3.1Å; T62-T64 PolarHBondContact O-N 3.1Å; T62-T64 VanDerWaalsContact O-N 3.1Å; T62-T64 PolarHBondContact O-OG1 2.96Å; T64-M66 HydrophobicContact CG2-CG 4.28Å; T64-L76 WeakPolarHBondContact CA-O 3.33Å; T64-A77 HydrophobicContact CG2-CB 3.89Å
65	I	94.6	Very high	92.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.7	175.6	-59.1	167.7	0	0	0	108.3	V67 F75 L76 F118 M121 Y146 M147 W150	I65-V67 HydrophobicContact CG2-CG2 4.21Å; I65-F75 WeakPolarHBondContact O-CA 3.45Å; I65-L76 HydrophobicContact CB-CB 4.4Å; I65-L76 HydrophobicContact CD1-CD2 4.37Å; I65-L76 PolarHBondContact N-O 3.34Å; I65-L76 PolarHBondContact O-N 3.1Å; I65-F118 HydrophobicContact CD1-CE1 3.92Å; I65-M121 HydrophobicContact CB-CE 4.4Å; I65-M121 HydrophobicContact CB-SD 4.35Å; I65-M121 HydrophobicContact CD1-CE 4.12Å; I65-M121 HydrophobicContact CG2-CE 4.04Å; I65-M121 HydrophobicContact CG2-SD 3.86Å; I65-Y146 HydrophobicContact CD1-CE1 4.13Å; I65-Y146 HydrophobicContact CG1-CE1 4.31Å; I65-M147 HydrophobicContact CD1-CE 4.18Å; I65-M147 HydrophobicContact CG1-CE 3.9Å; I65-W150 HydrophobicContact CD1-CB 3.81Å; I65-W150 HydrophobicContact CD1-CD2 3.69Å; I65-W150 HydrophobicContact CD1-CE3 4.23Å; I65-W150 HydrophobicContact CD1-CG 3.46Å; I65-W150 VanDerWaalsContact CD1-CG 3.46Å; I65-W150 HydrophobicContact CG1-CG 4.4Å; I65-W150 HydrophobicContact CG2-CZ2 4.11Å
66	M	95.7	Very high	92.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126	177.5	-52.7	-177	-63.6	0	0	109	V36 I52 Q53 F57 T64 F68 I74 F75	V36-M66 HydrophobicContact CB-CB 4.37Å; V36-M66 HydrophobicContact CB-CE 3.66Å; V36-M66 HydrophobicContact CG1-CE 3.51Å; V36-M66 HydrophobicContact CG2-CE 4.35Å; V36-M66 PolarHBondContact N-O 2.97Å; V36-M66 PolarHBondContact O-N 3.01Å; I52-M66 HydrophobicContact CG2-CE 4.03Å; Q53-M66 HydrophobicContact CG-CE 3.49Å; Q53-M66 VanDerWaalsContact CG-CE 3.49Å; Q53-M66 HydrophobicContact CG-SD 3.95Å; F57-M66 HydrophobicContact CE2-SD 3.56Å; F57-M66 VanDerWaalsContact CE2-SD 3.56Å; F57-M66 HydrophobicContact CZ-SD 3.91Å; T64-M66 HydrophobicContact CG2-CG 4.28Å; M66-F68 HydrophobicContact CB-CE2 3.84Å; M66-F68 HydrophobicContact CB-CZ 3.99Å; M66-F68 HydrophobicContact CE-CE2 4.44Å; M66-F68 HydrophobicContact CE-CZ 4.41Å; M66-F68 HydrophobicContact SD-CZ 4.28Å; M66-I74 WeakPolarHBondContact CA-O 3.26Å; M66-F75 HydrophobicContact CB-CD1 3.76Å; M66-F75 HydrophobicContact CB-CE1 3.89Å; M66-F75 HydrophobicContact CG-CD1 3.62Å; M66-F75 HydrophobicContact CG-CE1 3.89Å; M66-F75 HydrophobicContact SD-CD1 4.29Å; M66-F75 HydrophobicContact SD-CE1 4.06Å
67	V	95.9	Very high	92.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.9	176.3	-179	0	0	0	0	108.2	I34 V35 I65 I73 I74 M121 I125	I34-V67 WeakPolarHBondContact O-CA 3.4Å; V35-V67 HydrophobicContact CG2-CG2 4.48Å; I65-V67 HydrophobicContact CG2-CG2 4.21Å; V67-I73 CarbonylContact O-C 3.57Å; V67-I73 WeakPolarHBondContact O-CA 3.47Å; V67-I74 HydrophobicContact CB-CB 4.37Å; V67-I74 PolarHBondContact N-O 3.13Å; V67-I74 PolarHBondContact O-N 3.24Å; V67-M121 HydrophobicContact CG2-CB 4.29Å; V67-M121 HydrophobicContact CG2-CG 4.35Å; V67-M121 HydrophobicContact CG2-SD 3.98Å; V67-I125 HydrophobicContact CG1-CD1 4.07Å; V67-I125 HydrophobicContact CG1-CG1 3.59Å; V67-I125 HydrophobicContact CG2-CD1 4.45Å
68	F	95.4	Very high	92.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.8	176.4	-51.8	-87.9	0	0	0	108.5	I14 Y18 W21 A33 I34 V36 L56 M66 I73 F75	I14-F68 HydrophobicContact CD1-CD1 3.89Å; I14-F68 HydrophobicContact CD1-CE1 3.56Å; I14-F68 HydrophobicContact CD1-CZ 4.48Å; Y18-F68 HydrophobicContact CE2-CB 4.47Å; Y18-F68 HydrophobicContact CE2-CD1 4.22Å; W21-F68 WeakPolarHBondContact CH2-O 3.44Å; A33-F68 WeakPolarHBondContact CA-O 3.49Å; I34-F68 HydrophobicContact CB-CB 4.17Å; I34-F68 HydrophobicContact CB-CD2 4.1Å; I34-F68 HydrophobicContact CG2-CD2 4.02Å; I34-F68 PolarHBondContact N-O 3Å; I34-F68 PolarHBondContact O-N 2.93Å; V36-F68 HydrophobicContact CG2-CE2 4.12Å; L56-F68 HydrophobicContact CD1-CE1 4.36Å; L56-F68 HydrophobicContact CD1-CZ 3.99Å; M66-F68 HydrophobicContact CB-CE2 3.84Å; M66-F68 HydrophobicContact CB-CZ 3.99Å; M66-F68 HydrophobicContact CE-CE2 4.44Å; M66-F68 HydrophobicContact CE-CZ 4.41Å; M66-F68 HydrophobicContact SD-CZ 4.28Å; F68-I73 HydrophobicContact CD1-CD1 4.16Å; F68-I73 HydrophobicContact CD1-CG1 4.02Å; F68-I73 HydrophobicContact CD1-CG2 3.92Å; F68-I73 HydrophobicContact CE1-CG2 4.04Å; F68-F75 AromaticContact CE1-CE1 3.93Å; F68-F75 HydrophobicContact CE1-CE1 3.93Å; F68-F75 HydrophobicContact CE1-CZ 4.26Å; F68-F75 HydrophobicContact CZ-CE1 4.07Å
69	C	93.6	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.			trans	-104.1	169.7	173.6	-56.2	0	0	0	0	109.7	Y18 T71 K72 A124 S128	Y18-C69 VanDerWaalsContact CE1-O 3.3Å; Y18-C69 WeakPolarHBondContact CE1-O 3.46Å; Y18-C69 PolarHBondContact OH-O 2.92Å; C69-T71 VanDerWaalsContact C-N 3.31Å; C69-T71 PolarHBondContact O-N 2.86Å; C69-K72 CarbonylContact C-O 3.58Å; C69-K72 WeakPolarHBondContact CA-O 3.49Å; C69-K72 HydrophobicContact CB-CG 4.04Å; C69-K72 VanDerWaalsContact CB-O 3.22Å; C69-K72 WeakPolarHBondContact CB-O 3.24Å; C69-K72 PolarHBondContact N-O 3.3Å; C69-A124 PolarHBondContact SG-O 3.39Å; C69-S128 WeakPolarHBondContact CA-OG 3.38Å; C69-S128 WeakPolarHBondContact CB-OG 3.26Å
70	E	89.2	Confident	92.5	Very high	96 Å²	96	37.3 Å²	37.3	45%	0.449	18%	0.183	S	C	.	.	S	Bend	trans	-59.5	-41.2	177.4	-178.3	174.7	-151.5	0	0	112.7	P101 S128 K129	E70-P101 VanDerWaalsContact O-CG 3.32Å; E70-P101 WeakPolarHBondContact O-CG 3.24Å; E70-S128 PolarHBondContact N-OG 3.43Å; E70-K129 HydrophobicContact CB-CG 4.37Å
71	T	87.1	Confident	92.6	Very high	89 Å²	89	35.7 Å²	35.7	55%	0.546	18%	0.175	S	C	.	.	S	Bend	trans	-113.1	-4.5	-171.2	58	0	0	0	0	114.6	C69 P102	C69-T71 VanDerWaalsContact C-N 3.31Å; C69-T71 PolarHBondContact O-N 2.86Å; T71-P102 WeakPolarHBondContact O-CD 3.36Å
72	K	90.4	Very high	92.7	Very high	66 Å²	66	35.6 Å²	35.6	29%	0.287	17%	0.174	S	C	.	.			trans	-154.5	153.7	176.8	55.9	178	163.8	172.8	0	112.3	C69 I74 A124	C69-K72 CarbonylContact C-O 3.58Å; C69-K72 WeakPolarHBondContact CA-O 3.49Å; C69-K72 HydrophobicContact CB-CG 4.04Å; C69-K72 VanDerWaalsContact CB-O 3.22Å; C69-K72 WeakPolarHBondContact CB-O 3.24Å; C69-K72 PolarHBondContact N-O 3.3Å; K72-I74 HydrophobicContact CD-CD1 4.27Å; K72-A124 HydrophobicContact CD-CB 4.2Å
73	I	94.4	Very high	92.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.3	169.6	-63.2	172.1	0	0	0	107.7	I14 Y18 V67 F68 F75 V100 P101 P102 I103 T104	I14-I73 HydrophobicContact CD1-CD1 4.37Å; I14-I73 HydrophobicContact CG1-CD1 4.06Å; Y18-I73 HydrophobicContact CE2-CD1 3.85Å; Y18-I73 HydrophobicContact CE2-CG1 4.21Å; Y18-I73 VanDerWaalsContact OH-CG1 3.23Å; Y18-I73 WeakPolarHBondContact OH-CG1 3.37Å; V67-I73 CarbonylContact O-C 3.57Å; V67-I73 WeakPolarHBondContact O-CA 3.47Å; F68-I73 HydrophobicContact CD1-CD1 4.16Å; F68-I73 HydrophobicContact CD1-CG1 4.02Å; F68-I73 HydrophobicContact CD1-CG2 3.92Å; F68-I73 HydrophobicContact CE1-CG2 4.04Å; I73-F75 HydrophobicContact CG2-CD1 3.97Å; I73-F75 HydrophobicContact CG2-CE1 3.34Å; I73-F75 HydrophobicContact CG2-CE2 4.07Å; I73-F75 HydrophobicContact CG2-CZ 3.4Å; I73-V100 HydrophobicContact CD1-CG1 3.97Å; I73-P101 HydrophobicContact CG1-CB 4.3Å; I73-P102 PolarHBondContact N-O 3.28Å; I73-I103 HydrophobicContact CB-CG1 4.15Å; I73-I103 HydrophobicContact CD1-CG1 4.37Å; I73-I103 HydrophobicContact CG2-CG1 4.39Å; I73-I103 CarbonylContact O-C 3.39Å; I73-I103 WeakPolarHBondContact O-CA 3.46Å; I73-T104 PolarHBondContact O-N 3.38Å
74	I	95	Very high	92.8	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.5	177.2	-53	178.2	0	0	0	109.6	M66 V67 K72 T104 L106 M121 A124	M66-I74 WeakPolarHBondContact CA-O 3.26Å; V67-I74 HydrophobicContact CB-CB 4.37Å; V67-I74 PolarHBondContact N-O 3.13Å; V67-I74 PolarHBondContact O-N 3.24Å; K72-I74 HydrophobicContact CD-CD1 4.27Å; I74-T104 WeakPolarHBondContact CA-O 3.38Å; I74-L106 HydrophobicContact CG2-CD1 3.66Å; I74-L106 HydrophobicContact CG2-CG 3.94Å; I74-M121 HydrophobicContact CD1-CG 4.48Å; I74-M121 HydrophobicContact CG2-CG 3.92Å; I74-M121 HydrophobicContact CG2-SD 4.31Å; I74-A124 HydrophobicContact CD1-CB 3.3Å
75	F	95.5	Very high	92.7	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	122	170.7	-56.2	-38.2	0	0	0	109.9	F57 I65 M66 F68 I73 L85 I103 T104 L105 L106	F57-F75 HydrophobicContact CE1-CE2 4.17Å; F57-F75 HydrophobicContact CE1-CZ 4.22Å; F57-F75 HydrophobicContact CZ-CE1 4.25Å; F57-F75 HydrophobicContact CZ-CE2 4Å; F57-F75 AromaticContact CZ-CZ 3.79Å; F57-F75 HydrophobicContact CZ-CZ 3.79Å; I65-F75 WeakPolarHBondContact O-CA 3.45Å; M66-F75 HydrophobicContact CB-CD1 3.76Å; M66-F75 HydrophobicContact CB-CE1 3.89Å; M66-F75 HydrophobicContact CG-CD1 3.62Å; M66-F75 HydrophobicContact CG-CE1 3.89Å; M66-F75 HydrophobicContact SD-CD1 4.29Å; M66-F75 HydrophobicContact SD-CE1 4.06Å; F68-F75 AromaticContact CE1-CE1 3.93Å; F68-F75 HydrophobicContact CE1-CE1 3.93Å; F68-F75 HydrophobicContact CE1-CZ 4.26Å; F68-F75 HydrophobicContact CZ-CE1 4.07Å; I73-F75 HydrophobicContact CG2-CD1 3.97Å; I73-F75 HydrophobicContact CG2-CE1 3.34Å; I73-F75 HydrophobicContact CG2-CE2 4.07Å; I73-F75 HydrophobicContact CG2-CZ 3.4Å; F75-L85 HydrophobicContact CB-CD1 3.96Å; F75-L85 HydrophobicContact CD2-CD1 4.07Å; F75-L85 HydrophobicContact CD2-CD2 4.36Å; F75-L85 HydrophobicContact CG-CD1 4.28Å; F75-I103 HydrophobicContact CD2-CG2 3.57Å; F75-I103 HydrophobicContact CE2-CD1 4.32Å; F75-I103 HydrophobicContact CE2-CG2 3.66Å; F75-I103 HydrophobicContact CG-CG2 4.45Å; F75-T104 PolarHBondContact N-O 3.48Å; F75-L105 HydrophobicContact CB-CD2 3.91Å; F75-L105 HydrophobicContact CD2-CD2 3.77Å; F75-L105 HydrophobicContact CG-CD2 4.32Å; F75-L106 PolarHBondContact O-N 2.8Å
76	L	94.1	Very high	92.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.3	173.6	174.9	64.1	0	0	0	109.2	T64 I65 L106 R108 N117 F118 M121 Y146	T64-L76 WeakPolarHBondContact CA-O 3.33Å; I65-L76 HydrophobicContact CB-CB 4.4Å; I65-L76 HydrophobicContact CD1-CD2 4.37Å; I65-L76 PolarHBondContact N-O 3.34Å; I65-L76 PolarHBondContact O-N 3.1Å; L76-L106 WeakPolarHBondContact CA-O 3.48Å; L76-L106 HydrophobicContact CB-CB 4.14Å; L76-L106 HydrophobicContact CD1-CB 3.5Å; L76-L106 HydrophobicContact CG-CB 4.39Å; L76-R108 HydrophobicContact CD1-CB 4.35Å; L76-N117 HydrophobicContact CD1-CB 4.03Å; L76-N117 HydrophobicContact CD2-CB 4.05Å; L76-F118 HydrophobicContact CD2-CD1 3.97Å; L76-F118 HydrophobicContact CD2-CE1 3.82Å; L76-M121 HydrophobicContact CB-CE 4.3Å; L76-M121 HydrophobicContact CB-SD 3.93Å; L76-M121 HydrophobicContact CD2-CE 3.49Å; L76-M121 VanDerWaalsContact CD2-CE 3.49Å; L76-M121 HydrophobicContact CD2-SD 4.22Å; L76-Y146 WeakPolarHBondContact CD2-OH 3.28Å; L76-Y146 VanDerWaalsContact CG-OH 3.29Å; L76-Y146 WeakPolarHBondContact CG-OH 3.47Å
77	A	93.3	Very high	92.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	171.8	-177	0	0	0	0	0	111.9	T64 K81 V82 L106 T107 R108	T64-A77 HydrophobicContact CG2-CB 3.89Å; A77-K81 HydrophobicContact CB-CB 3.71Å; A77-K81 HydrophobicContact CB-CD 4.49Å; A77-V82 HydrophobicContact CB-CG2 4.29Å; A77-V82 WeakPolarHBondContact O-CG2 3.29Å; A77-L106 PolarHBondContact N-O 3.42Å; A77-L106 VanDerWaalsContact N-O 3.16Å; A77-T107 CarbonylContact O-C 3.6Å; A77-T107 WeakPolarHBondContact O-CA 3.47Å; A77-R108 PolarHBondContact O-N 3.38Å
78	S	91.9	Very high	91.7	Very high	29 Å²	29	43.1 Å²	43.1	20%	0.203	21%	0.205	C	C	.	.			trans	-61.1	156.4	173.5	74.8	0	0	0	0	112.7	K80 K81 V82	S78-K80 VanDerWaalsContact C-N 3.3Å; S78-K80 PolarHBondContact O-N 3.07Å; S78-K80 VanDerWaalsContact O-N 3.14Å; S78-K81 WeakPolarHBondContact O-CA 3.26Å; S78-K81 PolarHBondContact O-N 3.33Å; S78-K81 WeakPolarHBondContact OG-CG 3.41Å; S78-V82 PolarHBondContact O-N 3.28Å
79	K	91.4	Very high	91	Very high	150 Å²	150	44.3 Å²	44.3	65%	0.652	22%	0.216	S	C	*	.	H	α-helix	trans	-48.1	-45.6	-178.9	-170.4	174.7	-178	175.6	0	114.2	K81 V82 D83 T107	K79-K81 PolarHBondContact O-N 3.26Å; K79-V82 PolarHBondContact O-N 3.28Å; K79-D83 PolarHBondContact O-N 2.74Å; K79-T107 HydrophobicContact CB-CG2 3.97Å
80	K	91.6	Very high	89.7	Confident	178 Å²	178	50 Å²	50	77%	0.774	25%	0.245	S	C	*	.	H	α-helix	trans	-62.8	-39.8	177.5	-68.8	-173.4	178.5	-177.1	0	112.7	S78 D83 F84	S78-K80 VanDerWaalsContact C-N 3.3Å; S78-K80 PolarHBondContact O-N 3.07Å; S78-K80 VanDerWaalsContact O-N 3.14Å; K80-D83 PolarHBondContact O-N 2.7Å; K80-F84 PolarHBondContact O-N 3Å; K80-F84 VanDerWaalsContact O-N 3.14Å
81	K	92.2	Very high	88.3	Confident	42 Å²	42	48.9 Å²	48.9	18%	0.183	25%	0.245	C	C	.	.	H	α-helix	trans	-73.3	-36.2	178.9	-66	-178.5	-177.1	-173.3	0	111.3	L61 T62 A77 S78 K79 D83 F84 L85	L61-K81 HydrophobicContact CB-CD 4.34Å; L61-K81 HydrophobicContact CD2-CD 4.12Å; L61-K81 HydrophobicContact CD2-CG 4.22Å; T62-K81 VanDerWaalsContact C-NZ 3.33Å; T62-K81 PolarHBondContact O-NZ 2.9Å; T62-K81 PolarHBondContact OG1-NZ 2.91Å; A77-K81 HydrophobicContact CB-CB 3.71Å; A77-K81 HydrophobicContact CB-CD 4.49Å; S78-K81 WeakPolarHBondContact O-CA 3.26Å; S78-K81 PolarHBondContact O-N 3.33Å; S78-K81 WeakPolarHBondContact OG-CG 3.41Å; K79-K81 PolarHBondContact O-N 3.26Å; K81-D83 VanDerWaalsContact C-N 3.34Å; K81-F84 WeakPolarHBondContact O-CB 3.23Å; K81-F84 PolarHBondContact O-N 2.65Å; K81-L85 VanDerWaalsContact O-CG 3.32Å; K81-L85 WeakPolarHBondContact O-CG 3.16Å; K81-L85 PolarHBondContact O-N 2.77Å
82	V	92	Very high	86.5	Confident	8 Å²	8	54.3 Å²	54.3	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-44.5	170.5	168.6	0	0	0	0	110.7	A77 S78 K79 F84 L85 K86 L105 L106	A77-V82 HydrophobicContact CB-CG2 4.29Å; A77-V82 WeakPolarHBondContact O-CG2 3.29Å; S78-V82 PolarHBondContact O-N 3.28Å; K79-V82 PolarHBondContact O-N 3.28Å; V82-F84 VanDerWaalsContact C-N 3.29Å; V82-F84 PolarHBondContact O-N 3.22Å; V82-L85 PolarHBondContact O-N 3.38Å; V82-K86 WeakPolarHBondContact O-CG 3.42Å; V82-K86 PolarHBondContact O-N 2.91Å; V82-L105 HydrophobicContact CG1-CB 3.99Å; V82-L105 HydrophobicContact CG1-CD1 4.15Å; V82-L106 WeakPolarHBondContact CG2-O 3.32Å
83	D	91	Very high	84.5	Confident	76 Å²	76	54.9 Å²	54.9	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-36	176	-70.9	-31.4	0	0	0	112.7	K79 K80 K81 K86	K79-D83 PolarHBondContact O-N 2.74Å; K80-D83 PolarHBondContact O-N 2.7Å; K81-D83 VanDerWaalsContact C-N 3.34Å; D83-K86 WeakPolarHBondContact OD1-CE 3.49Å; D83-K86 IonicContact OD1-NZ 2.7Å; D83-K86 PolarHBondContact OD1-NZ 2.94Å
84	F	91.5	Very high	82.7	Confident	27 Å²	27	58 Å²	58	12%	0.118	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-47.5	171	171	-104.6	0	0	0	112.1	V3 L5 F57 Y59 L61 K80 K81 V82 K86 Q87	V3-F84 HydrophobicContact CB-CD2 4.37Å; V3-F84 HydrophobicContact CB-CE2 4.29Å; V3-F84 HydrophobicContact CG1-CE2 4.01Å; L5-F84 HydrophobicContact CB-CE2 3.77Å; L5-F84 HydrophobicContact CB-CZ 3.72Å; L5-F84 HydrophobicContact CD1-CD1 4.37Å; L5-F84 HydrophobicContact CD1-CE1 3.7Å; L5-F84 HydrophobicContact CD1-CE2 4.35Å; L5-F84 HydrophobicContact CD1-CZ 3.68Å; L5-F84 HydrophobicContact CG-CE1 4.3Å; L5-F84 HydrophobicContact CG-CE2 4.34Å; L5-F84 HydrophobicContact CG-CZ 3.78Å; F57-F84 HydrophobicContact CB-CE1 4.32Å; Y59-F84 HydrophobicContact CD2-CE1 4.48Å; Y59-F84 HydrophobicContact CD2-CE2 4.24Å; Y59-F84 AromaticContact CD2-CZ 3.63Å; Y59-F84 HydrophobicContact CD2-CZ 3.63Å; Y59-F84 HydrophobicContact CE2-CE2 4.3Å; Y59-F84 HydrophobicContact CE2-CZ 4.07Å; L61-F84 HydrophobicContact CD2-CD1 4.4Å; L61-F84 HydrophobicContact CD2-CE1 4.46Å; K80-F84 PolarHBondContact O-N 3Å; K80-F84 VanDerWaalsContact O-N 3.14Å; K81-F84 WeakPolarHBondContact O-CB 3.23Å; K81-F84 PolarHBondContact O-N 2.65Å; V82-F84 VanDerWaalsContact C-N 3.29Å; V82-F84 PolarHBondContact O-N 3.22Å; F84-K86 VanDerWaalsContact C-N 3.29Å; F84-K86 PolarHBondContact O-N 3.09Å; F84-Q87 WeakPolarHBondContact O-CB 3.19Å; F84-Q87 WeakPolarHBondContact O-CG 3.46Å; F84-Q87 PolarHBondContact O-N 3.25Å
85	L	91.8	Very high	81.1	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-70.7	-17.6	-178.9	-68	170.1	0	0	0	114	F57 L61 F75 K81 V82 Q87 V88 A89 L105	F57-L85 HydrophobicContact CD1-CD2 3.96Å; F57-L85 HydrophobicContact CE1-CD2 3.68Å; F57-L85 HydrophobicContact CE2-CD2 4.35Å; F57-L85 HydrophobicContact CG-CD2 4.39Å; F57-L85 HydrophobicContact CZ-CD2 3.9Å; L61-L85 HydrophobicContact CD1-CD1 4.3Å; L61-L85 HydrophobicContact CD1-CD2 4.07Å; L61-L85 HydrophobicContact CD1-CG 4.39Å; F75-L85 HydrophobicContact CB-CD1 3.96Å; F75-L85 HydrophobicContact CD2-CD1 4.07Å; F75-L85 HydrophobicContact CD2-CD2 4.36Å; F75-L85 HydrophobicContact CG-CD1 4.28Å; K81-L85 VanDerWaalsContact O-CG 3.32Å; K81-L85 WeakPolarHBondContact O-CG 3.16Å; K81-L85 PolarHBondContact O-N 2.77Å; V82-L85 PolarHBondContact O-N 3.38Å; L85-Q87 PolarHBondContact O-N 3.34Å; L85-Q87 VanDerWaalsContact O-N 3.1Å; L85-V88 WeakPolarHBondContact O-CG2 3.29Å; L85-V88 PolarHBondContact O-N 2.82Å; L85-V88 VanDerWaalsContact O-N 3.13Å; L85-A89 PolarHBondContact O-N 2.86Å; L85-L105 HydrophobicContact CB-CD1 4.26Å; L85-L105 HydrophobicContact CB-CD2 3.83Å; L85-L105 HydrophobicContact CD1-CD2 4.38Å
86	K	90.1	Very high	79.4	Confident	94 Å²	94	69.7 Å²	69.7	41%	0.409	36%	0.359	S	S	.	.	H	α-helix	trans	-55.8	-27	172.4	-79.3	174.9	-174.6	165.9	0	112.7	V82 D83 F84 V88 A89 I90 L105	V82-K86 WeakPolarHBondContact O-CG 3.42Å; V82-K86 PolarHBondContact O-N 2.91Å; D83-K86 WeakPolarHBondContact OD1-CE 3.49Å; D83-K86 IonicContact OD1-NZ 2.7Å; D83-K86 PolarHBondContact OD1-NZ 2.94Å; F84-K86 VanDerWaalsContact C-N 3.29Å; F84-K86 PolarHBondContact O-N 3.09Å; K86-V88 PolarHBondContact O-N 2.81Å; K86-A89 PolarHBondContact O-N 2.85Å; K86-I90 WeakPolarHBondContact O-CG1 3.35Å; K86-I90 PolarHBondContact O-N 2.87Å; K86-L105 HydrophobicContact CB-CD1 4.39Å; K86-L105 HydrophobicContact CG-CD1 3.72Å
87	Q	88.6	Confident	77.9	Confident	42 Å²	42	70.5 Å²	70.5	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-58.1	-31.4	178.5	-66.6	-177.9	49.1	0	0	113.4	V3 N4 L5 K7 F84 L85	V3-Q87 PolarHBondContact O-NE2 3.17Å; V3-Q87 VanDerWaalsContact O-NE2 3.07Å; N4-Q87 PolarHBondContact OD1-OE1 2.88Å; L5-Q87 HydrophobicContact CB-CB 4.48Å; L5-Q87 VanDerWaalsContact N-OE1 3.13Å; K7-Q87 WeakPolarHBondContact CD-O 3.5Å; K7-Q87 WeakPolarHBondContact CE-O 3.27Å; F84-Q87 WeakPolarHBondContact O-CB 3.19Å; F84-Q87 WeakPolarHBondContact O-CG 3.46Å; F84-Q87 PolarHBondContact O-N 3.25Å; L85-Q87 PolarHBondContact O-N 3.34Å; L85-Q87 VanDerWaalsContact O-N 3.1Å
88	V	85.4	Confident	76.7	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-103.5	-15.5	178.1	-67	0	0	0	0	113.4	L5 K7 Y10 Y11 L85 K86 I103	L5-V88 HydrophobicContact CD1-CG1 3.89Å; L5-V88 HydrophobicContact CD1-CG2 4.28Å; L5-V88 HydrophobicContact CD2-CG1 3.5Å; L5-V88 HydrophobicContact CG-CG1 4.32Å; K7-V88 HydrophobicContact CG-CG1 4.31Å; Y10-V88 HydrophobicContact CD1-CB 3.83Å; Y10-V88 HydrophobicContact CD1-CG1 3.69Å; Y10-V88 HydrophobicContact CD1-CG2 4.47Å; Y10-V88 HydrophobicContact CE1-CB 3.92Å; Y10-V88 HydrophobicContact CE1-CG1 4.3Å; Y10-V88 HydrophobicContact CE1-CG2 4.3Å; Y10-V88 HydrophobicContact CG-CB 4.34Å; Y10-V88 HydrophobicContact CG-CG1 3.85Å; Y11-V88 PolarHBondContact OH-O 3.15Å; L85-V88 WeakPolarHBondContact O-CG2 3.29Å; L85-V88 PolarHBondContact O-N 2.82Å; L85-V88 VanDerWaalsContact O-N 3.13Å; K86-V88 PolarHBondContact O-N 2.81Å; V88-I103 HydrophobicContact CB-CD1 4.35Å; V88-I103 HydrophobicContact CG2-CD1 4.13Å; V88-I103 WeakPolarHBondContact O-CD1 3.27Å
89	A	80.6	Confident	75.6	Confident	26 Å²	26	77.8 Å²	77.8	22%	0.215	42%	0.416	C	S	.	.	H	α-helix	trans	-78	-24.3	176.6	0	0	0	0	0	113.5	L85 K86 T91 I103 L105	L85-A89 PolarHBondContact O-N 2.86Å; K86-A89 PolarHBondContact O-N 2.85Å; A89-T91 PolarHBondContact O-N 2.72Å; A89-I103 HydrophobicContact CB-CB 4.24Å; A89-I103 HydrophobicContact CB-CG2 4.27Å; A89-L105 HydrophobicContact CB-CD1 3.77Å; A89-L105 HydrophobicContact CB-CG 4.1Å
90	I	66.4	Low	75.1	Confident	120 Å²	120	71.7 Å²	71.7	62%	0.615	39%	0.391	S	S	*	.			trans	-86.7	95.7	178.3	-58.3	168.6	0	0	0	109.2	K86	K86-I90 WeakPolarHBondContact O-CG1 3.35Å; K86-I90 PolarHBondContact O-N 2.87Å
91	T	60.8	Low	74.8	Confident	72 Å²	72	63.9 Å²	63.9	44%	0.442	36%	0.359	S	S	.	.			trans	-89.7	2	-174.3	46.3	0	0	0	0	115.3	A89 G93 A97	A89-T91 PolarHBondContact O-N 2.72Å; T91-G93 PolarHBondContact O-N 2.99Å; T91-A97 HydrophobicContact CG2-CB 4.06Å
92	K	47.9	Very low	74.6	Confident	203 Å²	203	66 Å²	66	88%	0.883	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	107.3	-179.3	-79.3	-171.5	176.3	-176.6	0	110.9
93	G	48.6	Very low	74.6	Confident	78 Å²	78	66.7 Å²	66.7	80%	0.804	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.3	4.3	170.6	0	0	0	0	0	116.4	T91	T91-G93 PolarHBondContact O-N 2.99Å
94	N	58	Low	74.6	Confident	64 Å²	64	66.1 Å²	66.1	34%	0.342	38%	0.379	S	S	.	.			trans	-98.2	106.6	177.2	-109.4	2.2	0	0	0	111.1	Y11 N96 A97	Y11-N94 WeakPolarHBondContact CE2-ND2 3.29Å; N94-N96 PolarHBondContact O-N 3.33Å; N94-N96 VanDerWaalsContact O-N 3.16Å; N94-A97 HydrophobicContact CB-CB 4.43Å; N94-A97 WeakPolarHBondContact O-CB 3.41Å; N94-A97 PolarHBondContact O-N 2.85Å; N94-A97 VanDerWaalsContact O-N 3.08Å
95	E	59.5	Low	74.7	Confident	170 Å²	170	66.8 Å²	66.8	79%	0.794	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-56.3	-29.9	174.9	-63.8	-175.2	165.2	0	0	112.2	A97 N98	E95-A97 VanDerWaalsContact C-N 3.26Å; E95-A97 PolarHBondContact O-N 2.95Å; E95-N98 PolarHBondContact O-N 2.87Å
96	N	60.2	Low	74.8	Confident	83 Å²	83	67.7 Å²	67.7	44%	0.444	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-70.7	-12.5	179.2	-67.5	-24.5	0	0	0	114.7	N94 N98	N94-N96 PolarHBondContact O-N 3.33Å; N94-N96 VanDerWaalsContact O-N 3.16Å; N96-N98 PolarHBondContact O-N 3.23Å
97	A	64	Low	74.9	Confident	17 Å²	17	65.4 Å²	65.4	14%	0.14	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-78.5	-7.2	177.3	0	0	0	0	0	113.3	Y11 T91 N94 E95 G99 V100	Y11-A97 HydrophobicContact CD1-CB 4.38Å; Y11-A97 HydrophobicContact CE1-CB 4.02Å; T91-A97 HydrophobicContact CG2-CB 4.06Å; N94-A97 HydrophobicContact CB-CB 4.43Å; N94-A97 WeakPolarHBondContact O-CB 3.41Å; N94-A97 PolarHBondContact O-N 2.85Å; N94-A97 VanDerWaalsContact O-N 3.08Å; E95-A97 VanDerWaalsContact C-N 3.26Å; E95-A97 PolarHBondContact O-N 2.95Å; A97-G99 PolarHBondContact O-N 3.01Å; A97-V100 PolarHBondContact O-N 3.28Å
98	N	67.2	Low	74.8	Confident	125 Å²	125	65.3 Å²	65.3	67%	0.668	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	119.5	179.4	-84.9	-24.4	0	0	0	112	E95 N96	E95-N98 PolarHBondContact O-N 2.87Å; N96-N98 PolarHBondContact O-N 3.23Å
99	G	68	Low	74.7	Confident	57 Å²	57	69.8 Å²	69.8	59%	0.588	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	2.8	177.8	0	0	0	0	0	115.6	A97	A97-G99 PolarHBondContact O-N 3.01Å
100	V	81.2	Confident	74.2	Confident	23 Å²	23	76.6 Å²	76.6	14%	0.139	43%	0.426	C	S	.	.	S	Bend	trans	-105.2	135.4	175.6	-175.2	0	0	0	0	110.1	Y11 I14 K15 I73 A97	Y11-V100 HydrophobicContact CD1-CG2 4.46Å; I14-V100 HydrophobicContact CG1-CG1 4.19Å; I14-V100 HydrophobicContact CG2-CB 4.41Å; I14-V100 HydrophobicContact CG2-CG1 3.74Å; I14-V100 HydrophobicContact CG2-CG2 3.72Å; K15-V100 HydrophobicContact CB-CG2 4.38Å; I73-V100 HydrophobicContact CD1-CG1 3.97Å; A97-V100 PolarHBondContact O-N 3.28Å
101	P	86.4	Confident	74.2	Confident	14 Å²	14	78.6 Å²	78.6	9%	0.091	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-66.3	152.6	178.1	-21.2	33.7	0	0	0	113.7	Y18 E70 I73	Y18-P101 HydrophobicContact CD1-CG 4.25Å; Y18-P101 HydrophobicContact CE1-CG 3.53Å; Y18-P101 HydrophobicContact CE2-CG 4.44Å; E70-P101 VanDerWaalsContact O-CG 3.32Å; E70-P101 WeakPolarHBondContact O-CG 3.24Å; I73-P101 HydrophobicContact CG1-CB 4.3Å
102	P	87.3	Confident	74.5	Confident	86 Å²	86	82 Å²	82	56%	0.558	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-60.7	139.7	177.7	25.5	-35.7	0	0	0	112.2	T71 I73	T71-P102 WeakPolarHBondContact O-CD 3.36Å; I73-P102 PolarHBondContact N-O 3.28Å
103	I	91.4	Very high	75.7	Confident	23 Å²	23	77.1 Å²	77.1	12%	0.118	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123	-178.7	-57.4	166.1	0	0	0	109.7	Y10 I73 F75 V88 A89 L105	Y10-I103 HydrophobicContact CE1-CD1 3.86Å; Y10-I103 WeakPolarHBondContact OH-CD1 3.42Å; I73-I103 HydrophobicContact CB-CG1 4.15Å; I73-I103 HydrophobicContact CD1-CG1 4.37Å; I73-I103 HydrophobicContact CG2-CG1 4.39Å; I73-I103 CarbonylContact O-C 3.39Å; I73-I103 WeakPolarHBondContact O-CA 3.46Å; F75-I103 HydrophobicContact CD2-CG2 3.57Å; F75-I103 HydrophobicContact CE2-CD1 4.32Å; F75-I103 HydrophobicContact CE2-CG2 3.66Å; F75-I103 HydrophobicContact CG-CG2 4.45Å; V88-I103 HydrophobicContact CB-CD1 4.35Å; V88-I103 HydrophobicContact CG2-CD1 4.13Å; V88-I103 WeakPolarHBondContact O-CD1 3.27Å; A89-I103 HydrophobicContact CB-CB 4.24Å; A89-I103 HydrophobicContact CB-CG2 4.27Å; I103-L105 HydrophobicContact CG2-CD2 3.74Å; I103-L105 HydrophobicContact CG2-CG 4.35Å
104	T	92.4	Very high	77.4	Confident	63 Å²	63	74.5 Å²	74.5	39%	0.387	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123	171.3	-55.8	0	0	0	0	109.3	I73 I74 F75 L106	I73-T104 PolarHBondContact O-N 3.38Å; I74-T104 WeakPolarHBondContact CA-O 3.38Å; F75-T104 PolarHBondContact N-O 3.48Å; T104-L106 HydrophobicContact CG2-CD2 4.32Å
105	L	93.6	Very high	78.7	Confident	41 Å²	41	77.5 Å²	77.5	22%	0.215	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.2	177.9	-57.1	177.9	0	0	0	109.9	F75 V82 L85 K86 A89 I103	F75-L105 HydrophobicContact CB-CD2 3.91Å; F75-L105 HydrophobicContact CD2-CD2 3.77Å; F75-L105 HydrophobicContact CG-CD2 4.32Å; V82-L105 HydrophobicContact CG1-CB 3.99Å; V82-L105 HydrophobicContact CG1-CD1 4.15Å; L85-L105 HydrophobicContact CB-CD1 4.26Å; L85-L105 HydrophobicContact CB-CD2 3.83Å; L85-L105 HydrophobicContact CD1-CD2 4.38Å; K86-L105 HydrophobicContact CB-CD1 4.39Å; K86-L105 HydrophobicContact CG-CD1 3.72Å; A89-L105 HydrophobicContact CB-CD1 3.77Å; A89-L105 HydrophobicContact CB-CG 4.1Å; I103-L105 HydrophobicContact CG2-CD2 3.74Å; I103-L105 HydrophobicContact CG2-CG 4.35Å
106	L	93.1	Very high	80.1	Confident	20 Å²	20	72.3 Å²	72.3	11%	0.105	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.7	173.4	-58.6	179.4	0	0	0	109.3	I74 F75 L76 A77 V82 T104 N117 M121	I74-L106 HydrophobicContact CG2-CD1 3.66Å; I74-L106 HydrophobicContact CG2-CG 3.94Å; F75-L106 PolarHBondContact O-N 2.8Å; L76-L106 WeakPolarHBondContact CA-O 3.48Å; L76-L106 HydrophobicContact CB-CB 4.14Å; L76-L106 HydrophobicContact CD1-CB 3.5Å; L76-L106 HydrophobicContact CG-CB 4.39Å; A77-L106 PolarHBondContact N-O 3.42Å; A77-L106 VanDerWaalsContact N-O 3.16Å; V82-L106 WeakPolarHBondContact CG2-O 3.32Å; T104-L106 HydrophobicContact CG2-CD2 4.32Å; L106-N117 HydrophobicContact CD1-CB 4.32Å; L106-M121 HydrophobicContact CD1-CG 4.12Å
107	T	92.1	Very high	81.5	Confident	47 Å²	47	69.5 Å²	69.5	29%	0.288	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.8	178.8	-55.9	0	0	0	0	109.8	A77 K79 N117	A77-T107 CarbonylContact O-C 3.6Å; A77-T107 WeakPolarHBondContact O-CA 3.47Å; K79-T107 HydrophobicContact CB-CG2 3.97Å; T107-N117 PolarHBondContact O-ND2 2.9Å
108	R	87.2	Confident	82.8	Confident	40 Å²	40	69 Å²	69	15%	0.151	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-73	123.6	172.2	-173.2	-177.8	92.5	160.4	-6.9	109.6	D63 L76 A77 Y146	D63-R108 IonicContact OD1-NH1 2.8Å; D63-R108 PolarHBondContact OD1-NH1 3.19Å; D63-R108 IonicContact OD2-CZ 3.17Å; D63-R108 IonicContact OD2-NH1 3.04Å; D63-R108 PolarHBondContact OD2-NH1 3.29Å; D63-R108 IonicContact OD2-NH2 2.78Å; D63-R108 PolarHBondContact OD2-NH2 3.4Å; L76-R108 HydrophobicContact CD1-CB 4.35Å; A77-R108 PolarHBondContact O-N 3.38Å; R108-Y146 VanDerWaalsContact CD-CE2 3.44Å; R108-Y146 VanDerWaalsContact CD-CZ 3.47Å; R108-Y146 HydrophobicContact CG-CD2 4.47Å; R108-Y146 HydrophobicContact CG-CE2 3.86Å; R108-Y146 VanDerWaalsContact NH1-CD1 3.31Å; R108-Y146 VanDerWaalsContact NH1-CG 3.26Å
109	E	82.2	Confident	84	Confident	93 Å²	93	66.4 Å²	66.4	44%	0.435	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-86.7	133.4	172.9	-64.7	-58.9	154.3	0	0	109.8	E112 N114	E109-E112 HydrophobicContact CB-CB 4.07Å; E109-N114 PolarHBondContact N-OD1 2.59Å; E109-N114 PolarHBondContact O-ND2 3.28Å
110	K	71.1	Confident	85.1	Confident	170 Å²	170	68.9 Å²	68.9	74%	0.739	36%	0.364	S	S	*	.	S	Bend	trans	-82.7	-27.2	-179.6	-76.8	-171.4	173.9	-169.9	0	113.2
111	N	66.4	Low	85.7	Confident	161 Å²	161	67.8 Å²	67.8	86%	0.861	36%	0.358	S	S	*	.	S	Bend	trans	-117.5	-3.3	-169.6	-61.2	-8.9	0	0	0	113.5
112	E	66	Low	85.9	Confident	145 Å²	145	67.4 Å²	67.4	68%	0.678	36%	0.355	S	S	*	.	S	Bend	trans	-120.7	159.1	179.3	-69.2	-173.3	172.6	0	0	110.7	E109 N114	E109-E112 HydrophobicContact CB-CB 4.07Å; E112-N114 PolarHBondContact O-N 2.96Å
113	S	74	Confident	86.2	Confident	100 Å²	100	70 Å²	70	70%	0.699	36%	0.359	S	S	*	.			trans	-64.9	119.7	176.6	-174.2	0	0	0	0	110.6	K115	S113-K115 PolarHBondContact O-N 3Å; S113-K115 VanDerWaalsContact O-N 3.07Å; S113-K115 WeakPolarHBondContact OG-CB 3.4Å
114	N	83.7	Confident	86.2	Confident	23 Å²	23	68.9 Å²	68.9	12%	0.123	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	7.3	175.6	-73.6	-76.5	0	0	0	113.4	E109 E112 A116 N117 F118 Y146	E109-N114 PolarHBondContact N-OD1 2.59Å; E109-N114 PolarHBondContact O-ND2 3.28Å; E112-N114 PolarHBondContact O-N 2.96Å; N114-A116 VanDerWaalsContact C-N 3.34Å; N114-A116 PolarHBondContact O-N 3.02Å; N114-N117 WeakPolarHBondContact O-CB 3.4Å; N114-N117 PolarHBondContact O-N 3.42Å; N114-F118 HydrophobicContact CB-CE1 4.16Å; N114-F118 HydrophobicContact CB-CE2 4.14Å; N114-F118 HydrophobicContact CB-CZ 3.88Å; N114-F118 WeakPolarHBondContact O-CG 3.23Å; N114-F118 PolarHBondContact O-N 3.43Å; N114-Y146 HydrophobicContact CB-CE2 4.44Å
115	K	85.8	Confident	86.3	Confident	127 Å²	127	65.9 Å²	65.9	55%	0.552	34%	0.335	S	S	*	.	H	α-helix	trans	-54.7	-45.2	-176.6	-172.2	174.4	-178.7	179.6	0	112.8	S113 N117 F118 D119	S113-K115 PolarHBondContact O-N 3Å; S113-K115 VanDerWaalsContact O-N 3.07Å; S113-K115 WeakPolarHBondContact OG-CB 3.4Å; K115-N117 PolarHBondContact O-N 3.33Å; K115-F118 WeakPolarHBondContact O-CB 3.39Å; K115-F118 PolarHBondContact O-N 2.95Å; K115-D119 PolarHBondContact O-N 3.42Å
116	A	88.1	Confident	86.1	Confident	61 Å²	61	69 Å²	69	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-61.3	-31.1	178.5	0	0	0	0	0	113.5	N114 K120	N114-A116 VanDerWaalsContact C-N 3.34Å; N114-A116 PolarHBondContact O-N 3.02Å; A116-K120 WeakPolarHBondContact O-CG 3.46Å; A116-K120 PolarHBondContact O-N 2.75Å
117	N	90.7	Very high	86	Confident	24 Å²	24	70.9 Å²	70.9	13%	0.128	37%	0.371	C	S	.	.	H	α-helix	trans	-77.6	-36	174.9	-72	-30.1	0	0	0	111.6	L76 L106 T107 N114 K115 M121	L76-N117 HydrophobicContact CD1-CB 4.03Å; L76-N117 HydrophobicContact CD2-CB 4.05Å; L106-N117 HydrophobicContact CD1-CB 4.32Å; T107-N117 PolarHBondContact O-ND2 2.9Å; N114-N117 WeakPolarHBondContact O-CB 3.4Å; N114-N117 PolarHBondContact O-N 3.42Å; K115-N117 PolarHBondContact O-N 3.33Å; N117-M121 PolarHBondContact O-N 3.26Å
118	F	91.6	Very high	85.9	Confident	7 Å²	7	68.6 Å²	68.6	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-63.1	-46	173	-59.9	-25.5	0	0	0	111.3	I65 L76 N114 K115 K120 M121 I122 Y146 W150 T153	I65-F118 HydrophobicContact CD1-CE1 3.92Å; L76-F118 HydrophobicContact CD2-CD1 3.97Å; L76-F118 HydrophobicContact CD2-CE1 3.82Å; N114-F118 HydrophobicContact CB-CE1 4.16Å; N114-F118 HydrophobicContact CB-CE2 4.14Å; N114-F118 HydrophobicContact CB-CZ 3.88Å; N114-F118 WeakPolarHBondContact O-CG 3.23Å; N114-F118 PolarHBondContact O-N 3.43Å; K115-F118 WeakPolarHBondContact O-CB 3.39Å; K115-F118 PolarHBondContact O-N 2.95Å; F118-K120 VanDerWaalsContact C-N 3.31Å; F118-K120 PolarHBondContact O-N 3.27Å; F118-M121 HydrophobicContact CD1-CE 3.64Å; F118-M121 HydrophobicContact CE1-CE 4.33Å; F118-M121 WeakPolarHBondContact O-CA 3.43Å; F118-M121 WeakPolarHBondContact O-CB 3.38Å; F118-M121 PolarHBondContact O-N 3.26Å; F118-I122 WeakPolarHBondContact O-CG1 3.43Å; F118-I122 PolarHBondContact O-N 3.44Å; F118-Y146 AromaticContact CE1-CE2 3.79Å; F118-Y146 HydrophobicContact CE1-CE2 3.79Å; F118-Y146 HydrophobicContact CZ-CD2 4.09Å; F118-Y146 AromaticContact CZ-CE2 3.65Å; F118-Y146 HydrophobicContact CZ-CE2 3.65Å; F118-W150 HydrophobicContact CB-CE3 4.13Å; F118-W150 HydrophobicContact CB-CZ3 4.09Å; F118-W150 AromaticContact CD1-CE3 3.66Å; F118-W150 HydrophobicContact CD1-CE3 3.66Å; F118-W150 HydrophobicContact CD1-CZ3 4.2Å; F118-W150 HydrophobicContact CE1-CB 4.28Å; F118-W150 HydrophobicContact CE1-CE3 4.17Å; F118-W150 AromaticContact CG-CE3 3.9Å; F118-W150 HydrophobicContact CG-CE3 3.9Å; F118-W150 HydrophobicContact CG-CZ3 4.34Å; F118-W150 HydrophobicContact CZ-CB 4.16Å; F118-T153 HydrophobicContact CB-CG2 4.11Å
119	D	91.1	Very high	85.9	Confident	70 Å²	70	70.8 Å²	70.8	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-57.9	-42.8	178.7	-63.7	-22.5	0	0	0	111.4	K115 M121 I122 E123	K115-D119 PolarHBondContact O-N 3.42Å; D119-M121 VanDerWaalsContact C-N 3.32Å; D119-M121 PolarHBondContact O-N 3.22Å; D119-I122 PolarHBondContact O-N 3.46Å; D119-E123 WeakPolarHBondContact O-CB 2.99Å; D119-E123 PolarHBondContact O-N 3.41Å
120	K	92.3	Very high	86.1	Confident	109 Å²	109	73.1 Å²	73.1	47%	0.474	38%	0.378	S	S	.	.	H	α-helix	trans	-61.1	-36.8	174.3	-73.5	173.1	-175.6	173.9	0	113.4	A116 F118 A124	A116-K120 WeakPolarHBondContact O-CG 3.46Å; A116-K120 PolarHBondContact O-N 2.75Å; F118-K120 VanDerWaalsContact C-N 3.31Å; F118-K120 PolarHBondContact O-N 3.27Å; K120-A124 WeakPolarHBondContact O-CB 3.38Å; K120-A124 PolarHBondContact O-N 3.08Å; K120-A124 VanDerWaalsContact O-N 3.11Å
121	M	92.6	Very high	86.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-72.8	-38.8	176.7	-71.7	-171.1	-60	0	0	111.5	I65 V67 I74 L76 L106 N117 F118 D119 A124 I125 W150	I65-M121 HydrophobicContact CB-CE 4.4Å; I65-M121 HydrophobicContact CB-SD 4.35Å; I65-M121 HydrophobicContact CD1-CE 4.12Å; I65-M121 HydrophobicContact CG2-CE 4.04Å; I65-M121 HydrophobicContact CG2-SD 3.86Å; V67-M121 HydrophobicContact CG2-CB 4.29Å; V67-M121 HydrophobicContact CG2-CG 4.35Å; V67-M121 HydrophobicContact CG2-SD 3.98Å; I74-M121 HydrophobicContact CD1-CG 4.48Å; I74-M121 HydrophobicContact CG2-CG 3.92Å; I74-M121 HydrophobicContact CG2-SD 4.31Å; L76-M121 HydrophobicContact CB-CE 4.3Å; L76-M121 HydrophobicContact CB-SD 3.93Å; L76-M121 HydrophobicContact CD2-CE 3.49Å; L76-M121 VanDerWaalsContact CD2-CE 3.49Å; L76-M121 HydrophobicContact CD2-SD 4.22Å; L106-M121 HydrophobicContact CD1-CG 4.12Å; N117-M121 PolarHBondContact O-N 3.26Å; F118-M121 HydrophobicContact CD1-CE 3.64Å; F118-M121 HydrophobicContact CE1-CE 4.33Å; F118-M121 WeakPolarHBondContact O-CA 3.43Å; F118-M121 WeakPolarHBondContact O-CB 3.38Å; F118-M121 PolarHBondContact O-N 3.26Å; D119-M121 VanDerWaalsContact C-N 3.32Å; D119-M121 PolarHBondContact O-N 3.22Å; M121-A124 WeakPolarHBondContact O-CB 3.41Å; M121-A124 PolarHBondContact O-N 3.08Å; M121-I125 VanDerWaalsContact O-CG1 3.29Å; M121-I125 WeakPolarHBondContact O-CG1 3.44Å; M121-I125 PolarHBondContact O-N 3.2Å; M121-W150 HydrophobicContact CB-CH2 4.14Å; M121-W150 HydrophobicContact CB-CZ3 4.36Å; M121-W150 HydrophobicContact CE-CE3 3.99Å; M121-W150 HydrophobicContact CE-CH2 3.99Å; M121-W150 HydrophobicContact CE-CZ3 3.65Å
122	I	92.4	Very high	87.9	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-44.7	174.1	-65.9	-55.7	0	0	0	111	F118 D119 A124 I125 K126 W150 T153 L154 E157	F118-I122 WeakPolarHBondContact O-CG1 3.43Å; F118-I122 PolarHBondContact O-N 3.44Å; D119-I122 PolarHBondContact O-N 3.46Å; I122-A124 PolarHBondContact O-N 3.35Å; I122-I125 HydrophobicContact CD1-CD1 4.28Å; I122-I125 PolarHBondContact O-N 3.14Å; I122-I125 VanDerWaalsContact O-N 3.12Å; I122-K126 HydrophobicContact CG2-CD 4.29Å; I122-K126 PolarHBondContact O-N 2.63Å; I122-W150 HydrophobicContact CD1-CH2 3.91Å; I122-W150 HydrophobicContact CD1-CZ3 4.09Å; I122-W150 HydrophobicContact CG1-CZ3 4.4Å; I122-T153 HydrophobicContact CG1-CG2 4.37Å; I122-L154 HydrophobicContact CD1-CD1 3.69Å; I122-E157 HydrophobicContact CD1-CG 4.14Å; I122-E157 HydrophobicContact CG1-CG 4.2Å; I122-E157 HydrophobicContact CG2-CG 3.66Å
123	E	92.3	Very high	89.1	Confident	140 Å²	140	58 Å²	58	65%	0.654	31%	0.308	S	S	*	.	H	α-helix	trans	-58.7	-39.3	175.1	-171	-173.4	171.7	0	0	111.2	D119 G127	D119-E123 WeakPolarHBondContact O-CB 2.99Å; D119-E123 PolarHBondContact O-N 3.41Å; E123-G127 PolarHBondContact O-N 3.1Å
124	A	92.4	Very high	90.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-42.7	173.8	0	0	0	0	0	113.6	C69 K72 I74 K120 M121 I122 G127 S128	C69-A124 PolarHBondContact SG-O 3.39Å; K72-A124 HydrophobicContact CD-CB 4.2Å; I74-A124 HydrophobicContact CD1-CB 3.3Å; K120-A124 WeakPolarHBondContact O-CB 3.38Å; K120-A124 PolarHBondContact O-N 3.08Å; K120-A124 VanDerWaalsContact O-N 3.11Å; M121-A124 WeakPolarHBondContact O-CB 3.41Å; M121-A124 PolarHBondContact O-N 3.08Å; I122-A124 PolarHBondContact O-N 3.35Å; A124-G127 PolarHBondContact O-N 2.91Å; A124-S128 PolarHBondContact O-N 3.41Å
125	I	92.9	Very high	90.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-47.9	177.6	-69.9	162.7	0	0	0	110.2	A33 V35 V67 M121 I122 G127 S128 I134 W150 L154 L159	A33-I125 HydrophobicContact CB-CB 4.43Å; A33-I125 HydrophobicContact CB-CG1 4.15Å; A33-I125 HydrophobicContact CB-CG2 4.12Å; V35-I125 HydrophobicContact CG2-CD1 3.76Å; V35-I125 HydrophobicContact CG2-CG1 4.4Å; V67-I125 HydrophobicContact CG1-CD1 4.07Å; V67-I125 HydrophobicContact CG1-CG1 3.59Å; V67-I125 HydrophobicContact CG2-CD1 4.45Å; M121-I125 VanDerWaalsContact O-CG1 3.29Å; M121-I125 WeakPolarHBondContact O-CG1 3.44Å; M121-I125 PolarHBondContact O-N 3.2Å; I122-I125 HydrophobicContact CD1-CD1 4.28Å; I122-I125 PolarHBondContact O-N 3.14Å; I122-I125 VanDerWaalsContact O-N 3.12Å; I125-G127 PolarHBondContact O-N 3.16Å; I125-S128 WeakPolarHBondContact O-CB 3.23Å; I125-S128 PolarHBondContact O-N 3.29Å; I125-I134 HydrophobicContact CG2-CG2 3.52Å; I125-W150 HydrophobicContact CD1-CH2 4.43Å; I125-L154 HydrophobicContact CD1-CD1 4.45Å; I125-L159 HydrophobicContact CG2-CD1 3.79Å
126	K	90.8	Very high	91	Very high	107 Å²	107	47 Å²	47	47%	0.465	25%	0.248	S	C	.	.	H	α-helix	trans	-63	-28.8	178.1	-71.3	-178.2	178.6	179	0	113.2	I122 S128 E157	I122-K126 HydrophobicContact CG2-CD 4.29Å; I122-K126 PolarHBondContact O-N 2.63Å; K126-S128 VanDerWaalsContact C-N 3.34Å; K126-E157 WeakPolarHBondContact CE-OE2 3.35Å; K126-E157 IonicContact NZ-OE2 2.67Å; K126-E157 PolarHBondContact NZ-OE2 2.98Å
127	G	89.6	Confident	91.2	Very high	58 Å²	58	44.6 Å²	44.6	60%	0.598	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	1.8	174.8	0	0	0	0	0	115	E123 A124 I125	E123-G127 PolarHBondContact O-N 3.1Å; A124-G127 PolarHBondContact O-N 2.91Å; I125-G127 PolarHBondContact O-N 3.16Å
128	S	89.8	Confident	91.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-98.9	124.6	179.3	-167.7	0	0	0	0	110	D32 C69 E70 A124 I125 K126 E130 G131	D32-S128 WeakPolarHBondContact CB-O 3.39Å; D32-S128 WeakPolarHBondContact O-CB 3.47Å; D32-S128 PolarHBondContact O-OG 3.09Å; C69-S128 WeakPolarHBondContact CA-OG 3.38Å; C69-S128 WeakPolarHBondContact CB-OG 3.26Å; E70-S128 PolarHBondContact N-OG 3.43Å; A124-S128 PolarHBondContact O-N 3.41Å; I125-S128 WeakPolarHBondContact O-CB 3.23Å; I125-S128 PolarHBondContact O-N 3.29Å; K126-S128 VanDerWaalsContact C-N 3.34Å; S128-E130 PolarHBondContact O-N 3.08Å; S128-G131 WeakPolarHBondContact O-CA 3.26Å; S128-G131 PolarHBondContact O-N 3.02Å
129	K	87.6	Confident	90.9	Very high	86 Å²	86	54.5 Å²	54.5	37%	0.374	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.3	-121.3	-175.8	-59.2	-166.4	-166.7	167	0	112.7	V31 D32 E70	V31-K129 PolarHBondContact O-NZ 2.97Å; D32-K129 HydrophobicContact CB-CB 4.03Å; D32-K129 VanDerWaalsContact OD1-CB 3.24Å; D32-K129 WeakPolarHBondContact OD1-CB 3.12Å; E70-K129 HydrophobicContact CB-CG 4.37Å
130	E	87.3	Confident	90.8	Very high	141 Å²	141	52.9 Å²	52.9	66%	0.659	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.3	176.9	-63.3	-167.8	-166.8	0	0	113.6	D32 S128 K132	D32-E130 PolarHBondContact OD1-N 3.06Å; D32-E130 VanDerWaalsContact OD1-N 3.17Å; S128-E130 PolarHBondContact O-N 3.08Å; E130-K132 VanDerWaalsContact C-N 3.31Å; E130-K132 PolarHBondContact O-N 3.43Å; E130-K132 IonicContact OE2-NZ 3.24Å
131	G	85.7	Confident	90.4	Very high	9 Å²	9	55.9 Å²	55.9	9%	0.093	28%	0.28	C	S	.	.	S	Bend	trans	67.9	21.5	173.2	0	0	0	0	0	115.7	D32 S128 L159	D32-G131 PolarHBondContact OD2-N 3.44Å; S128-G131 WeakPolarHBondContact O-CA 3.26Å; S128-G131 PolarHBondContact O-N 3.02Å; G131-L159 WeakPolarHBondContact O-CD2 3.48Å
132	K	88.8	Confident	90.1	Very high	124 Å²	124	56.9 Å²	56.9	54%	0.539	28%	0.284	S	S	.	.	S	Bend	trans	-108.8	-33.4	-176.2	-67.8	174.3	-170.8	159.8	0	113.2	D32 E130 D160	D32-K132 PolarHBondContact OD2-N 3.07Å; E130-K132 VanDerWaalsContact C-N 3.31Å; E130-K132 PolarHBondContact O-N 3.43Å; E130-K132 IonicContact OE2-NZ 3.24Å; K132-D160 PolarHBondContact O-N 3.49Å
133	T	92.1	Very high	89.7	Confident	26 Å²	26	60.2 Å²	60.2	16%	0.16	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.2	-168.1	57.9	0	0	0	0	111.9	K30 D32 A33 D160	K30-T133 WeakPolarHBondContact O-CB 3.16Å; K30-T133 PolarHBondContact O-OG1 3.44Å; D32-T133 WeakPolarHBondContact CA-O 3.42Å; D32-T133 VanDerWaalsContact CB-O 3.24Å; D32-T133 WeakPolarHBondContact CB-O 3.34Å; D32-T133 PolarHBondContact N-O 3Å; D32-T133 PolarHBondContact N-OG1 3.31Å; D32-T133 VanDerWaalsContact N-OG1 3.15Å; D32-T133 PolarHBondContact OD2-N 3.41Å; D32-T133 PolarHBondContact OD2-OG1 3.34Å; A33-T133 PolarHBondContact N-O 3.41Å; T133-D160 CarbonylContact C-O 3.57Å; T133-D160 WeakPolarHBondContact CA-O 3.42Å; T133-D160 HydrophobicContact CG2-CB 4.03Å
134	I	93.9	Very high	89.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.9	176.5	56.9	172.5	0	0	0	111.8	A33 V35 I125 V136 L154 L159 D160 R161 V162	A33-I134 CarbonylContact O-C 3.45Å; A33-I134 VanDerWaalsContact O-CA 3.29Å; A33-I134 WeakPolarHBondContact O-CA 3.5Å; V35-I134 HydrophobicContact CG2-CB 4.26Å; V35-I134 HydrophobicContact CG2-CG2 4.18Å; I125-I134 HydrophobicContact CG2-CG2 3.52Å; I134-V136 HydrophobicContact CD1-CG1 4.02Å; I134-V136 HydrophobicContact CG1-CG1 4.17Å; I134-L154 HydrophobicContact CD1-CD1 3.82Å; I134-L154 HydrophobicContact CD1-CD2 3.73Å; I134-L154 HydrophobicContact CD1-CG 3.9Å; I134-L159 HydrophobicContact CD1-CB 4.28Å; I134-L159 HydrophobicContact CD1-CD1 4.44Å; I134-L159 HydrophobicContact CG1-CB 4.28Å; I134-L159 HydrophobicContact CG2-CD1 4.02Å; I134-D160 WeakPolarHBondContact CG1-O 3.11Å; I134-D160 PolarHBondContact N-O 2.88Å; I134-R161 HydrophobicContact CD1-CG 4.15Å; I134-R161 HydrophobicContact CG1-CG 4.07Å; I134-R161 WeakPolarHBondContact O-CA 3.25Å; I134-V162 PolarHBondContact O-N 3.03Å
135	G	94.5	Very high	88.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.7	170.4	0	0	0	0	0	109.8	A33 V35 V162	A33-G135 PolarHBondContact O-N 3.45Å; V35-G135 PolarHBondContact N-O 2.88Å; G135-V162 WeakPolarHBondContact CA-O 2.93Å
136	V	94.2	Very high	88.3	Confident	19 Å²	19	64.4 Å²	64.4	12%	0.115	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	162.2	-179.2	-62.7	0	0	0	0	110.7	V35 I134 R161 V162 D163 I164	V35-V136 HydrophobicContact CB-CG1 4.32Å; I134-V136 HydrophobicContact CD1-CG1 4.02Å; I134-V136 HydrophobicContact CG1-CG1 4.17Å; V136-R161 HydrophobicContact CG2-CB 3.97Å; V136-R161 HydrophobicContact CG2-CG 4.47Å; V136-V162 PolarHBondContact N-O 3.49Å; V136-D163 WeakPolarHBondContact O-CA 3.42Å; V136-I164 PolarHBondContact O-N 2.98Å; V136-I164 VanDerWaalsContact O-N 3.08Å
137	F	93.1	Very high	88.2	Confident	10 Å²	10	59.4 Å²	59.4	4%	0.044	31%	0.314	C	S	.	.			trans	-92.6	98.5	167.9	-58	-54.3	0	0	0	109.1	V36 K48 S49 I52 K139 D140 I164 V168	V36-F137 HydrophobicContact CB-CE2 4.43Å; V36-F137 HydrophobicContact CG1-CD2 4.3Å; V36-F137 HydrophobicContact CG1-CE2 3.99Å; V36-F137 HydrophobicContact CG2-CD2 4.33Å; V36-F137 HydrophobicContact CG2-CE2 3.66Å; V36-F137 HydrophobicContact CG2-CZ 4.4Å; K48-F137 HydrophobicContact CB-CB 4.07Å; K48-F137 HydrophobicContact CB-CD1 3.65Å; K48-F137 HydrophobicContact CB-CD2 3.81Å; K48-F137 HydrophobicContact CB-CE1 3.97Å; K48-F137 HydrophobicContact CB-CE2 4.1Å; K48-F137 HydrophobicContact CB-CG 3.55Å; K48-F137 HydrophobicContact CB-CZ 4.19Å; K48-F137 HydrophobicContact CG-CD1 4.26Å; S49-F137 WeakPolarHBondContact OG-CD2 3.29Å; I52-F137 HydrophobicContact CD1-CZ 4.43Å; I52-F137 HydrophobicContact CG2-CE2 4.14Å; F137-K139 PolarHBondContact O-N 3.11Å; F137-K139 VanDerWaalsContact O-N 3.1Å; F137-D140 HydrophobicContact CB-CB 4.07Å; F137-D140 WeakPolarHBondContact CB-OD2 3.22Å; F137-D140 PolarHBondContact O-N 3.5Å; F137-D140 VanDerWaalsContact O-N 3.08Å; F137-I164 HydrophobicContact CD1-CG1 4.13Å; F137-I164 HydrophobicContact CE1-CD1 4.23Å; F137-I164 HydrophobicContact CE1-CG1 3.85Å; F137-I164 HydrophobicContact CZ-CD1 4.48Å; F137-V168 HydrophobicContact CE1-CB 3.89Å; F137-V168 HydrophobicContact CE1-CG1 4.09Å; F137-V168 HydrophobicContact CE1-CG2 3.84Å; F137-V168 HydrophobicContact CZ-CB 4.21Å; F137-V168 HydrophobicContact CZ-CG1 3.96Å; F137-V168 HydrophobicContact CZ-CG2 4.06Å
138	S	89.4	Confident	88.1	Confident	64 Å²	64	63.3 Å²	63.3	45%	0.448	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.4	-167.6	-67	0	0	0	0	114.6	D163	S138-D163 PolarHBondContact N-OD1 3.21Å; S138-D163 VanDerWaalsContact N-OD1 3.14Å; S138-D163 WeakPolarHBondContact OG-CB 3.46Å
139	K	87	Confident	88	Confident	176 Å²	176	66 Å²	66	77%	0.765	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-18.7	179.1	-66.3	-176.3	-178.2	177.3	0	113.3	F137 K141	F137-K139 PolarHBondContact O-N 3.11Å; F137-K139 VanDerWaalsContact O-N 3.1Å; K139-K141 PolarHBondContact O-N 3.22Å
140	D	87.5	Confident	88.1	Confident	36 Å²	36	61.9 Å²	61.9	19%	0.193	32%	0.315	C	S	.	.			trans	-82.1	112.6	-174.3	-68.5	3.4	0	0	0	109.5	K48 S49 F137 F142	K48-D140 PolarHBondContact N-OD1 3.46Å; K48-D140 PolarHBondContact N-OD2 2.84Å; S49-D140 VanDerWaalsContact CB-OD2 3.23Å; S49-D140 WeakPolarHBondContact CB-OD2 3.36Å; S49-D140 PolarHBondContact N-OD2 3.36Å; S49-D140 PolarHBondContact OG-OD2 3.39Å; F137-D140 HydrophobicContact CB-CB 4.07Å; F137-D140 WeakPolarHBondContact CB-OD2 3.22Å; F137-D140 PolarHBondContact O-N 3.5Å; F137-D140 VanDerWaalsContact O-N 3.08Å; D140-F142 HydrophobicContact CB-CE2 3.98Å
141	K	85.7	Confident	88.2	Confident	172 Å²	172	57.8 Å²	57.8	75%	0.748	30%	0.298	S	S	*	.			trans	-131.7	95.5	178.4	-66.8	-176.4	-177.8	179.1	0	109.4	K139	K139-K141 PolarHBondContact O-N 3.22Å
142	F	86.1	Confident	88.3	Confident	20 Å²	20	61.9 Å²	61.9	9%	0.088	32%	0.318	C	S	.	.			trans	-86.2	139.2	178.2	-62.8	-86.2	0	0	0	111.6	S37 V38 G39 I44 A47 T50 D140 M147	S37-F142 VanDerWaalsContact O-CD2 3.26Å; S37-F142 WeakPolarHBondContact O-CD2 3.32Å; S37-F142 WeakPolarHBondContact O-CE2 3.46Å; V38-F142 HydrophobicContact CB-CE2 4.46Å; V38-F142 HydrophobicContact CB-CZ 4.46Å; V38-F142 HydrophobicContact CG1-CD1 4.32Å; V38-F142 HydrophobicContact CG1-CE1 3.98Å; V38-F142 HydrophobicContact CG1-CZ 4.1Å; V38-F142 HydrophobicContact CG2-CE2 4.25Å; V38-F142 HydrophobicContact CG2-CZ 4.21Å; G39-F142 VanDerWaalsContact N-CB 3.33Å; G39-F142 VanDerWaalsContact N-CG 3.32Å; I44-F142 HydrophobicContact CD1-CD1 3.8Å; I44-F142 HydrophobicContact CD1-CE1 4.06Å; A47-F142 HydrophobicContact CB-CE1 4.29Å; A47-F142 HydrophobicContact CB-CZ 3.64Å; T50-F142 HydrophobicContact CG2-CE1 4.07Å; T50-F142 HydrophobicContact CG2-CZ 3.97Å; D140-F142 HydrophobicContact CB-CE2 3.98Å; F142-M147 HydrophobicContact CB-CG 4.17Å
143	P	82.6	Confident	88.3	Confident	76 Å²	76	57.5 Å²	57.5	49%	0.494	30%	0.301	S	S	.	.			trans	-70.8	165.6	172.6	30.8	-34.9	0	0	0	112.1	V40	V40-P143 PolarHBondContact N-O 3.16Å; V40-P143 WeakPolarHBondContact O-CD 3.16Å
144	G	82.8	Confident	88.1	Confident	37 Å²	37	56.5 Å²	56.5	38%	0.381	30%	0.295	S	S	.	.	S	Bend	trans	119.4	146.5	172.1	0	0	0	0	0	114.6	Y146 M147 K148	G144-Y146 PolarHBondContact O-N 2.98Å; G144-M147 PolarHBondContact O-N 3.44Å; G144-K148 PolarHBondContact O-N 2.89Å
145	E	81.9	Confident	87.8	Confident	171 Å²	171	60.5 Å²	60.5	80%	0.799	32%	0.319	S	S	*	.	H	α-helix	trans	-60.6	-32.9	179.9	-65	-174.6	163	0	0	112.8	K148 S149	E145-K148 PolarHBondContact O-N 2.7Å; E145-S149 WeakPolarHBondContact O-CB 3.24Å; E145-S149 PolarHBondContact O-N 3.25Å; E145-S149 PolarHBondContact O-OG 3.42Å
146	Y	84.6	Confident	87.5	Confident	20 Å²	20	64.6 Å²	64.6	8%	0.078	35%	0.353	C	S	.	.	H	α-helix	trans	-65.5	-47.1	177.9	-179.7	-119.8	0	0	0	112.2	D63 I65 L76 R108 N114 F118 G144 S149 W150	D63-Y146 HydrophobicContact CB-CD1 4.26Å; D63-Y146 WeakPolarHBondContact O-CE1 3.39Å; I65-Y146 HydrophobicContact CD1-CE1 4.13Å; I65-Y146 HydrophobicContact CG1-CE1 4.31Å; L76-Y146 WeakPolarHBondContact CD2-OH 3.28Å; L76-Y146 VanDerWaalsContact CG-OH 3.29Å; L76-Y146 WeakPolarHBondContact CG-OH 3.47Å; R108-Y146 VanDerWaalsContact CD-CE2 3.44Å; R108-Y146 VanDerWaalsContact CD-CZ 3.47Å; R108-Y146 HydrophobicContact CG-CD2 4.47Å; R108-Y146 HydrophobicContact CG-CE2 3.86Å; R108-Y146 VanDerWaalsContact NH1-CD1 3.31Å; R108-Y146 VanDerWaalsContact NH1-CG 3.26Å; N114-Y146 HydrophobicContact CB-CE2 4.44Å; F118-Y146 AromaticContact CE1-CE2 3.79Å; F118-Y146 HydrophobicContact CE1-CE2 3.79Å; F118-Y146 HydrophobicContact CZ-CD2 4.09Å; F118-Y146 AromaticContact CZ-CE2 3.65Å; F118-Y146 HydrophobicContact CZ-CE2 3.65Å; G144-Y146 PolarHBondContact O-N 2.98Å; Y146-S149 PolarHBondContact O-N 3.42Å; Y146-W150 PolarHBondContact O-N 2.87Å; Y146-W150 VanDerWaalsContact O-N 3.11Å
147	M	87.1	Confident	87.2	Confident	3 Å²	3	67 Å²	67	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-67.5	-37.1	175.7	-72.3	-61.6	106.8	0	0	111.9	V38 I65 F142 G144 W150 N151	V38-M147 WeakPolarHBondContact O-CE 3.4Å; I65-M147 HydrophobicContact CD1-CE 4.18Å; I65-M147 HydrophobicContact CG1-CE 3.9Å; F142-M147 HydrophobicContact CB-CG 4.17Å; G144-M147 PolarHBondContact O-N 3.44Å; M147-W150 PolarHBondContact O-N 3.46Å; M147-N151 WeakPolarHBondContact O-CB 3.33Å; M147-N151 PolarHBondContact O-N 2.96Å; M147-N151 PolarHBondContact O-ND2 3.21Å
148	K	87.6	Confident	86.8	Confident	139 Å²	139	69.5 Å²	69.5	60%	0.604	39%	0.392	S	S	*	.	H	α-helix	trans	-59.2	-49.2	174.1	-174.4	178.5	178	-178.8	0	111.3	G144 E145 W150 N151 D152	G144-K148 PolarHBondContact O-N 2.89Å; E145-K148 PolarHBondContact O-N 2.7Å; K148-W150 VanDerWaalsContact C-N 3.32Å; K148-W150 PolarHBondContact O-N 3.34Å; K148-N151 PolarHBondContact O-N 3.46Å; K148-D152 WeakPolarHBondContact O-CB 3.29Å; K148-D152 PolarHBondContact O-N 2.81Å
149	S	88.4	Confident	86.8	Confident	56 Å²	56	67.4 Å²	67.4	39%	0.392	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-40.6	178.7	-56.7	0	0	0	0	112.6	E145 Y146 T153	E145-S149 WeakPolarHBondContact O-CB 3.24Å; E145-S149 PolarHBondContact O-N 3.25Å; E145-S149 PolarHBondContact O-OG 3.42Å; Y146-S149 PolarHBondContact O-N 3.42Å; S149-T153 PolarHBondContact O-N 3.23Å; S149-T153 VanDerWaalsContact O-N 3.16Å; S149-T153 PolarHBondContact O-OG1 2.93Å
150	W	90.3	Very high	87	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.3	-48.1	174.9	171.1	-120.5	0	0	0	112.2	V35 I65 F118 M121 I122 I125 Y146 M147 K148 D152 T153 L154	V35-W150 HydrophobicContact CG1-CZ2 3.79Å; I65-W150 HydrophobicContact CD1-CB 3.81Å; I65-W150 HydrophobicContact CD1-CD2 3.69Å; I65-W150 HydrophobicContact CD1-CE3 4.23Å; I65-W150 HydrophobicContact CD1-CG 3.46Å; I65-W150 VanDerWaalsContact CD1-CG 3.46Å; I65-W150 HydrophobicContact CG1-CG 4.4Å; I65-W150 HydrophobicContact CG2-CZ2 4.11Å; F118-W150 HydrophobicContact CB-CE3 4.13Å; F118-W150 HydrophobicContact CB-CZ3 4.09Å; F118-W150 AromaticContact CD1-CE3 3.66Å; F118-W150 HydrophobicContact CD1-CE3 3.66Å; F118-W150 HydrophobicContact CD1-CZ3 4.2Å; F118-W150 HydrophobicContact CE1-CB 4.28Å; F118-W150 HydrophobicContact CE1-CE3 4.17Å; F118-W150 AromaticContact CG-CE3 3.9Å; F118-W150 HydrophobicContact CG-CE3 3.9Å; F118-W150 HydrophobicContact CG-CZ3 4.34Å; F118-W150 HydrophobicContact CZ-CB 4.16Å; M121-W150 HydrophobicContact CB-CH2 4.14Å; M121-W150 HydrophobicContact CB-CZ3 4.36Å; M121-W150 HydrophobicContact CE-CE3 3.99Å; M121-W150 HydrophobicContact CE-CH2 3.99Å; M121-W150 HydrophobicContact CE-CZ3 3.65Å; I122-W150 HydrophobicContact CD1-CH2 3.91Å; I122-W150 HydrophobicContact CD1-CZ3 4.09Å; I122-W150 HydrophobicContact CG1-CZ3 4.4Å; I125-W150 HydrophobicContact CD1-CH2 4.43Å; Y146-W150 PolarHBondContact O-N 2.87Å; Y146-W150 VanDerWaalsContact O-N 3.11Å; M147-W150 PolarHBondContact O-N 3.46Å; K148-W150 VanDerWaalsContact C-N 3.32Å; K148-W150 PolarHBondContact O-N 3.34Å; W150-D152 VanDerWaalsContact C-N 3.35Å; W150-D152 PolarHBondContact O-N 3.32Å; W150-T153 PolarHBondContact O-N 3.08Å; W150-L154 HydrophobicContact CH2-CD1 4.17Å; W150-L154 HydrophobicContact CZ2-CD1 4.02Å; W150-L154 HydrophobicContact CZ2-CD2 4.35Å; W150-L154 WeakPolarHBondContact O-CB 3.31Å; W150-L154 PolarHBondContact O-N 3.08Å
151	N	88.6	Confident	87.2	Confident	56 Å²	56	68.1 Å²	68.1	30%	0.299	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-39	179.5	-77.8	-44.3	0	0	0	112.5	M147 K148 L154 T155	M147-N151 WeakPolarHBondContact O-CB 3.33Å; M147-N151 PolarHBondContact O-N 2.96Å; M147-N151 PolarHBondContact O-ND2 3.21Å; K148-N151 PolarHBondContact O-N 3.46Å; N151-L154 PolarHBondContact O-N 3.18Å; N151-T155 VanDerWaalsContact O-CB 3.32Å; N151-T155 WeakPolarHBondContact O-CB 3.48Å; N151-T155 PolarHBondContact O-N 2.92Å; N151-T155 PolarHBondContact O-OG1 3.21Å
152	D	89.1	Confident	87.6	Confident	95 Å²	95	61.2 Å²	61.2	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-63	-43.9	175.8	-69.4	-17.2	0	0	0	110.5	K148 W150 T155 A156	K148-D152 WeakPolarHBondContact O-CB 3.29Å; K148-D152 PolarHBondContact O-N 2.81Å; W150-D152 VanDerWaalsContact C-N 3.35Å; W150-D152 PolarHBondContact O-N 3.32Å; D152-T155 PolarHBondContact O-N 3.46Å; D152-A156 WeakPolarHBondContact O-CB 3.22Å; D152-A156 PolarHBondContact O-N 3.24Å
153	T	88.5	Confident	88	Confident	32 Å²	32	63 Å²	63	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-62.5	-47.3	175.9	-51.9	0	0	0	0	111.2	F118 I122 S149 W150 T155 A156	F118-T153 HydrophobicContact CB-CG2 4.11Å; I122-T153 HydrophobicContact CG1-CG2 4.37Å; S149-T153 PolarHBondContact O-N 3.23Å; S149-T153 VanDerWaalsContact O-N 3.16Å; S149-T153 PolarHBondContact O-OG1 2.93Å; W150-T153 PolarHBondContact O-N 3.08Å; T153-T155 VanDerWaalsContact C-N 3.28Å; T153-T155 PolarHBondContact O-N 2.83Å; T153-A156 PolarHBondContact O-N 3.24Å
154	L	87.1	Confident	88.5	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-32	180	-167.5	67	0	0	0	112.6	I122 I125 I134 W150 N151 L159	I122-L154 HydrophobicContact CD1-CD1 3.69Å; I125-L154 HydrophobicContact CD1-CD1 4.45Å; I134-L154 HydrophobicContact CD1-CD1 3.82Å; I134-L154 HydrophobicContact CD1-CD2 3.73Å; I134-L154 HydrophobicContact CD1-CG 3.9Å; W150-L154 HydrophobicContact CH2-CD1 4.17Å; W150-L154 HydrophobicContact CZ2-CD1 4.02Å; W150-L154 HydrophobicContact CZ2-CD2 4.35Å; W150-L154 WeakPolarHBondContact O-CB 3.31Å; W150-L154 PolarHBondContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 3.18Å; L154-L159 HydrophobicContact CD1-CD1 4.12Å
155	T	87.3	Confident	89	Confident	83 Å²	83	58.4 Å²	58.4	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-75.7	-35.3	177.8	-52.8	0	0	0	0	111.7	N151 D152 T153 E157 G158 R161	N151-T155 VanDerWaalsContact O-CB 3.32Å; N151-T155 WeakPolarHBondContact O-CB 3.48Å; N151-T155 PolarHBondContact O-N 2.92Å; N151-T155 PolarHBondContact O-OG1 3.21Å; D152-T155 PolarHBondContact O-N 3.46Å; T153-T155 VanDerWaalsContact C-N 3.28Å; T153-T155 PolarHBondContact O-N 2.83Å; T155-E157 PolarHBondContact O-N 3.24Å; T155-G158 PolarHBondContact O-N 3.49Å; T155-R161 PolarHBondContact OG1-NH2 2.9Å
156	A	89.3	Confident	89.5	Confident	86 Å²	86	51.2 Å²	51.2	71%	0.711	30%	0.295	S	S	*	.	H	α-helix	trans	-62.9	-26.3	177.4	0	0	0	0	0	113.4	D152 T153 G158	D152-A156 WeakPolarHBondContact O-CB 3.22Å; D152-A156 PolarHBondContact O-N 3.24Å; T153-A156 PolarHBondContact O-N 3.24Å; A156-G158 VanDerWaalsContact C-N 3.34Å
157	E	87.6	Confident	89.8	Confident	69 Å²	69	50.7 Å²	50.7	32%	0.322	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-12.3	-179.5	-66.8	-63.5	155.7	0	0	114.4	I122 K126 T155 L159	I122-E157 HydrophobicContact CD1-CG 4.14Å; I122-E157 HydrophobicContact CG1-CG 4.2Å; I122-E157 HydrophobicContact CG2-CG 3.66Å; K126-E157 WeakPolarHBondContact CE-OE2 3.35Å; K126-E157 IonicContact NZ-OE2 2.67Å; K126-E157 PolarHBondContact NZ-OE2 2.98Å; T155-E157 PolarHBondContact O-N 3.24Å; E157-L159 VanDerWaalsContact C-N 3.33Å; E157-L159 HydrophobicContact CB-CD1 4.41Å; E157-L159 HydrophobicContact CB-CG 4.21Å; E157-L159 PolarHBondContact O-N 3.31Å
158	G	85.4	Confident	90.2	Very high	63 Å²	63	50.7 Å²	50.7	65%	0.649	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	27.2	175.5	0	0	0	0	0	115.3	T155 A156	T155-G158 PolarHBondContact O-N 3.49Å; A156-G158 VanDerWaalsContact C-N 3.34Å
159	L	88.5	Confident	90.4	Very high	21 Å²	21	44 Å²	44	11%	0.11	27%	0.265	C	S	.	.			trans	-74.5	138.2	177.9	-62.3	169.9	0	0	0	111.7	I125 G131 I134 L154 E157	I125-L159 HydrophobicContact CG2-CD1 3.79Å; G131-L159 WeakPolarHBondContact O-CD2 3.48Å; I134-L159 HydrophobicContact CD1-CB 4.28Å; I134-L159 HydrophobicContact CD1-CD1 4.44Å; I134-L159 HydrophobicContact CG1-CB 4.28Å; I134-L159 HydrophobicContact CG2-CD1 4.02Å; L154-L159 HydrophobicContact CD1-CD1 4.12Å; E157-L159 VanDerWaalsContact C-N 3.33Å; E157-L159 HydrophobicContact CB-CD1 4.41Å; E157-L159 HydrophobicContact CB-CG 4.21Å; E157-L159 PolarHBondContact O-N 3.31Å
160	D	91.2	Very high	90.7	Very high	109 Å²	109	43.5 Å²	43.5	58%	0.583	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.6	176.4	-76.1	-33.3	0	0	0	110.5	K132 T133 I134	K132-D160 PolarHBondContact O-N 3.49Å; T133-D160 CarbonylContact C-O 3.57Å; T133-D160 WeakPolarHBondContact CA-O 3.42Å; T133-D160 HydrophobicContact CG2-CB 4.03Å; I134-D160 WeakPolarHBondContact CG1-O 3.11Å; I134-D160 PolarHBondContact N-O 2.88Å
161	R	91.7	Very high	90.9	Very high	117 Å²	117	43.7 Å²	43.7	44%	0.442	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.6	-176.3	-60.7	-175.7	-171.7	-175.6	4.4	111	I134 V136 T155	I134-R161 HydrophobicContact CD1-CG 4.15Å; I134-R161 HydrophobicContact CG1-CG 4.07Å; I134-R161 WeakPolarHBondContact O-CA 3.25Å; V136-R161 HydrophobicContact CG2-CB 3.97Å; V136-R161 HydrophobicContact CG2-CG 4.47Å; T155-R161 PolarHBondContact OG1-NH2 2.9Å
162	V	93.8	Very high	91.2	Very high	27 Å²	27	41.5 Å²	41.5	16%	0.164	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.8	175.4	-177.6	0	0	0	0	108.8	E27 K30 V31 I134 G135 V136 I164	E27-V162 HydrophobicContact CB-CG1 4.09Å; K30-V162 HydrophobicContact CB-CG2 4.34Å; V31-V162 HydrophobicContact CG2-CB 3.94Å; V31-V162 HydrophobicContact CG2-CG1 4.13Å; V31-V162 HydrophobicContact CG2-CG2 4.42Å; I134-V162 PolarHBondContact O-N 3.03Å; G135-V162 WeakPolarHBondContact CA-O 2.93Å; V136-V162 PolarHBondContact N-O 3.49Å; V162-I164 PolarHBondContact O-N 3.47Å
163	D	93.8	Very high	91.5	Very high	59 Å²	59	37.1 Å²	37.1	32%	0.316	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	115.9	174.5	-172.6	31.3	0	0	0	110.3	V136 S138 S165	V136-D163 WeakPolarHBondContact O-CA 3.42Å; S138-D163 PolarHBondContact N-OD1 3.21Å; S138-D163 VanDerWaalsContact N-OD1 3.14Å; S138-D163 WeakPolarHBondContact OG-CB 3.46Å; D163-S165 WeakPolarHBondContact OD1-CB 3.4Å; D163-S165 PolarHBondContact OD1-N 3.42Å; D163-S165 PolarHBondContact OD1-OG 3.33Å
164	I	94.4	Very high	91.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.223	C	C	.	.			trans	-103.4	9.4	179.7	60.6	168.3	0	0	0	112.8	V31 I34 V136 F137 V162 A166 V167 V168	V31-I164 HydrophobicContact CG2-CG2 3.75Å; I34-I164 HydrophobicContact CB-CD1 4.24Å; I34-I164 HydrophobicContact CD1-CD1 4.21Å; I34-I164 HydrophobicContact CG1-CD1 3.95Å; I34-I164 HydrophobicContact CG2-CD1 3.42Å; I34-I164 VanDerWaalsContact CG2-CD1 3.42Å; V136-I164 PolarHBondContact O-N 2.98Å; V136-I164 VanDerWaalsContact O-N 3.08Å; F137-I164 HydrophobicContact CD1-CG1 4.13Å; F137-I164 HydrophobicContact CE1-CD1 4.23Å; F137-I164 HydrophobicContact CE1-CG1 3.85Å; F137-I164 HydrophobicContact CZ-CD1 4.48Å; V162-I164 PolarHBondContact O-N 3.47Å; I164-A166 VanDerWaalsContact C-N 3.26Å; I164-A166 PolarHBondContact O-N 3.41Å; I164-V167 HydrophobicContact CB-CG2 3.91Å; I164-V167 HydrophobicContact CG2-CG2 4.43Å; I164-V167 VanDerWaalsContact O-CG2 3.25Å; I164-V167 WeakPolarHBondContact O-CG2 3.48Å; I164-V167 PolarHBondContact O-N 3.16Å; I164-V168 HydrophobicContact CB-CG2 4.35Å; I164-V168 HydrophobicContact CD1-CG2 3.92Å; I164-V168 HydrophobicContact CG1-CG2 4.13Å; I164-V168 WeakPolarHBondContact O-CB 3.49Å; I164-V168 WeakPolarHBondContact O-CG2 3.43Å; I164-V168 PolarHBondContact O-N 3.43Å
165	S	92.4	Very high	92.2	Very high	16 Å²	16	38 Å²	38	11%	0.112	23%	0.225	C	C	.	.	H	α-helix	trans	-54	-40.9	-175.5	-60.4	0	0	0	0	112.9	D163 A169	D163-S165 WeakPolarHBondContact OD1-CB 3.4Å; D163-S165 PolarHBondContact OD1-N 3.42Å; D163-S165 PolarHBondContact OD1-OG 3.33Å; S165-A169 VanDerWaalsContact O-CB 3.31Å; S165-A169 WeakPolarHBondContact O-CB 3.27Å; S165-A169 PolarHBondContact O-N 2.74Å
166	A	92.2	Very high	92.5	Very high	20 Å²	20	35.9 Å²	35.9	17%	0.165	21%	0.21	C	C	.	.	H	α-helix	trans	-71.6	-47.9	-176.3	0	0	0	0	0	113	I164 V168 A169 Y170	I164-A166 VanDerWaalsContact C-N 3.26Å; I164-A166 PolarHBondContact O-N 3.41Å; A166-V168 VanDerWaalsContact C-N 3.35Å; A166-V168 PolarHBondContact O-N 2.59Å; A166-A169 WeakPolarHBondContact O-CB 3.27Å; A166-A169 PolarHBondContact O-N 2.65Å; A166-Y170 PolarHBondContact O-N 2.84Å
167	V	92.7	Very high	92.7	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.055	21%	0.208	C	C	.	.	H	α-helix	trans	-68.6	-32.5	178.7	-75.2	0	0	0	0	112.8	D26 E27 F28 I164 T171	D26-V167 HydrophobicContact CB-CG1 3.92Å; E27-V167 HydrophobicContact CB-CG1 4.5Å; E27-V167 HydrophobicContact CB-CG2 4.22Å; E27-V167 WeakPolarHBondContact OE2-CG1 3.31Å; F28-V167 HydrophobicContact CD1-CG2 4.06Å; F28-V167 HydrophobicContact CD2-CB 3.76Å; F28-V167 HydrophobicContact CD2-CG1 4.31Å; F28-V167 HydrophobicContact CD2-CG2 3.86Å; F28-V167 HydrophobicContact CE1-CG2 3.91Å; F28-V167 HydrophobicContact CE2-CB 3.61Å; F28-V167 HydrophobicContact CE2-CG2 3.74Å; F28-V167 HydrophobicContact CG-CB 4.38Å; F28-V167 HydrophobicContact CG-CG2 4.01Å; F28-V167 HydrophobicContact CZ-CB 4.09Å; F28-V167 HydrophobicContact CZ-CG2 3.75Å; I164-V167 HydrophobicContact CB-CG2 3.91Å; I164-V167 HydrophobicContact CG2-CG2 4.43Å; I164-V167 VanDerWaalsContact O-CG2 3.25Å; I164-V167 WeakPolarHBondContact O-CG2 3.48Å; I164-V167 PolarHBondContact O-N 3.16Å; V167-T171 VanDerWaalsContact O-CB 3.28Å; V167-T171 WeakPolarHBondContact O-CB 3.39Å; V167-T171 PolarHBondContact O-N 3.05Å; V167-T171 PolarHBondContact O-OG1 2.71Å
168	V	93.9	Very high	93	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-70.5	-42.8	172.8	174.8	0	0	0	0	110.8	L17 F28 I52 F137 I164 A166 Y170 T171 M172	L17-V168 HydrophobicContact CD1-CG2 4.45Å; F28-V168 HydrophobicContact CE1-CG2 4.33Å; F28-V168 HydrophobicContact CZ-CG2 3.97Å; I52-V168 HydrophobicContact CD1-CG1 4.21Å; F137-V168 HydrophobicContact CE1-CB 3.89Å; F137-V168 HydrophobicContact CE1-CG1 4.09Å; F137-V168 HydrophobicContact CE1-CG2 3.84Å; F137-V168 HydrophobicContact CZ-CB 4.21Å; F137-V168 HydrophobicContact CZ-CG1 3.96Å; F137-V168 HydrophobicContact CZ-CG2 4.06Å; I164-V168 HydrophobicContact CB-CG2 4.35Å; I164-V168 HydrophobicContact CD1-CG2 3.92Å; I164-V168 HydrophobicContact CG1-CG2 4.13Å; I164-V168 WeakPolarHBondContact O-CB 3.49Å; I164-V168 WeakPolarHBondContact O-CG2 3.43Å; I164-V168 PolarHBondContact O-N 3.43Å; A166-V168 VanDerWaalsContact C-N 3.35Å; A166-V168 PolarHBondContact O-N 2.59Å; V168-Y170 VanDerWaalsContact C-N 3.3Å; V168-Y170 PolarHBondContact O-N 3.26Å; V168-T171 CarbonylContact O-C 3.59Å; V168-T171 WeakPolarHBondContact O-CA 3.46Å; V168-T171 WeakPolarHBondContact O-CB 3.39Å; V168-T171 PolarHBondContact O-N 2.87Å; V168-M172 HydrophobicContact CG1-CG 4.41Å; V168-M172 HydrophobicContact CG1-SD 3.78Å; V168-M172 PolarHBondContact O-N 2.95Å
169	A	93.4	Very high	93.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-54.4	-48.2	173.2	0	0	0	0	0	111.3	S165 A166 T171 M172 A173 E358 S360	S165-A169 VanDerWaalsContact O-CB 3.31Å; S165-A169 WeakPolarHBondContact O-CB 3.27Å; S165-A169 PolarHBondContact O-N 2.74Å; A166-A169 WeakPolarHBondContact O-CB 3.27Å; A166-A169 PolarHBondContact O-N 2.65Å; A169-T171 VanDerWaalsContact C-N 3.3Å; A169-T171 PolarHBondContact O-N 3.16Å; A169-M172 CarbonylContact O-C 3.58Å; A169-M172 PolarHBondContact O-N 3.22Å; A169-M172 VanDerWaalsContact O-N 3.13Å; A169-A173 WeakPolarHBondContact O-CB 3.41Å; A169-A173 PolarHBondContact O-N 2.58Å; A169-E358 WeakPolarHBondContact CB-OE2 3.35Å; A169-S360 VanDerWaalsContact CB-OG 3.31Å; A169-S360 WeakPolarHBondContact CB-OG 3.26Å
170	Y	94.3	Very high	93.8	Very high	44 Å²	44	33.3 Å²	33.3	17%	0.173	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-33.2	177.2	-165.8	-124.9	0	0	0	112.6	A166 V168 M172 A173 L361 Y369 K370 K372	A166-Y170 PolarHBondContact O-N 2.84Å; V168-Y170 VanDerWaalsContact C-N 3.3Å; V168-Y170 PolarHBondContact O-N 3.26Å; Y170-M172 VanDerWaalsContact C-N 3.29Å; Y170-M172 PolarHBondContact O-N 2.98Å; Y170-A173 WeakPolarHBondContact O-CB 3.34Å; Y170-A173 PolarHBondContact O-N 3.06Å; Y170-L361 HydrophobicContact CD2-CD2 4.01Å; Y170-Y369 AromaticContact CD1-CD1 3.9Å; Y170-Y369 HydrophobicContact CD1-CD1 3.9Å; Y170-Y369 AromaticContact CD1-CE1 3.87Å; Y170-Y369 HydrophobicContact CD1-CE1 3.87Å; Y170-Y369 AromaticContact CD2-CD1 3.61Å; Y170-Y369 HydrophobicContact CD2-CD1 3.61Å; Y170-Y369 HydrophobicContact CD2-CE1 4.13Å; Y170-Y369 HydrophobicContact CD2-CG 4.28Å; Y170-Y369 HydrophobicContact CE1-CD1 4.03Å; Y170-Y369 HydrophobicContact CE1-CE1 4.35Å; Y170-Y369 AromaticContact CE2-CD1 3.78Å; Y170-Y369 HydrophobicContact CE2-CD1 3.78Å; Y170-Y369 HydrophobicContact CE2-CG 4.4Å; Y170-Y369 AromaticContact CG-CD1 3.67Å; Y170-Y369 HydrophobicContact CG-CD1 3.67Å; Y170-Y369 AromaticContact CG-CE1 3.72Å; Y170-Y369 HydrophobicContact CG-CE1 3.72Å; Y170-Y369 AromaticContact CZ-CD1 3.95Å; Y170-K370 WeakPolarHBondContact CE2-O 3.34Å; Y170-K370 PolarHBondContact OH-O 3.11Å; Y170-K370 VanDerWaalsContact OH-O 3.08Å; Y170-K372 HydrophobicContact CE2-CD 4.48Å; Y170-K372 WeakPolarHBondContact OH-CE 3.36Å
171	T	94.1	Very high	94	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-29.2	172.4	-63.9	0	0	0	0	112.5	R16 L17 N20 W55 V167 V168 A169	R16-T171 HydrophobicContact CG-CG2 4.27Å; R16-T171 PolarHBondContact NE-O 3.28Å; R16-T171 PolarHBondContact NH2-O 2.78Å; L17-T171 HydrophobicContact CD1-CG2 4.3Å; N20-T171 WeakPolarHBondContact ND2-CG2 3.41Å; N20-T171 PolarHBondContact ND2-OG1 3.05Å; W55-T171 HydrophobicContact CH2-CG2 4.36Å; V167-T171 VanDerWaalsContact O-CB 3.28Å; V167-T171 WeakPolarHBondContact O-CB 3.39Å; V167-T171 PolarHBondContact O-N 3.05Å; V167-T171 PolarHBondContact O-OG1 2.71Å; V168-T171 CarbonylContact O-C 3.59Å; V168-T171 WeakPolarHBondContact O-CA 3.46Å; V168-T171 WeakPolarHBondContact O-CB 3.39Å; V168-T171 PolarHBondContact O-N 2.87Å; A169-T171 VanDerWaalsContact C-N 3.3Å; A169-T171 PolarHBondContact O-N 3.16Å
172	M	94.8	Very high	94.2	Very high	10 Å²	10	29.1 Å²	29.1	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-99.4	-1.4	178.1	-66.6	172.9	49.8	0	0	113.5	A51 I52 W55 V168 A169 Y170 K175 I354	A51-M172 HydrophobicContact CB-CE 4.18Å; I52-M172 HydrophobicContact CB-SD 4.32Å; I52-M172 HydrophobicContact CG1-SD 4.35Å; W55-M172 HydrophobicContact CB-CE 3.68Å; W55-M172 HydrophobicContact CB-SD 4.4Å; W55-M172 HydrophobicContact CD2-CE 4.4Å; W55-M172 HydrophobicContact CD2-CG 3.79Å; W55-M172 HydrophobicContact CD2-SD 4.3Å; W55-M172 HydrophobicContact CE3-CG 3.87Å; W55-M172 HydrophobicContact CE3-SD 4.23Å; W55-M172 HydrophobicContact CG-CE 3.91Å; W55-M172 HydrophobicContact CG-CG 4.23Å; W55-M172 HydrophobicContact CG-SD 4.4Å; W55-M172 HydrophobicContact CH2-CG 4.4Å; W55-M172 HydrophobicContact CZ2-CG 4.34Å; W55-M172 HydrophobicContact CZ3-CG 4.18Å; V168-M172 HydrophobicContact CG1-CG 4.41Å; V168-M172 HydrophobicContact CG1-SD 3.78Å; V168-M172 PolarHBondContact O-N 2.95Å; A169-M172 CarbonylContact O-C 3.58Å; A169-M172 PolarHBondContact O-N 3.22Å; A169-M172 VanDerWaalsContact O-N 3.13Å; Y170-M172 VanDerWaalsContact C-N 3.29Å; Y170-M172 PolarHBondContact O-N 2.98Å; M172-K175 PolarHBondContact O-NZ 3.26Å; M172-I354 HydrophobicContact CE-CD1 4.18Å
173	A	94.5	Very high	94.3	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-66.5	-45.6	-171.4	0	0	0	0	0	113.2	A169 Y170 K175 L361 M375	A169-A173 WeakPolarHBondContact O-CB 3.41Å; A169-A173 PolarHBondContact O-N 2.58Å; Y170-A173 WeakPolarHBondContact O-CB 3.34Å; Y170-A173 PolarHBondContact O-N 3.06Å; A173-K175 PolarHBondContact O-N 2.88Å; A173-K175 PolarHBondContact O-NZ 3.44Å; A173-L361 HydrophobicContact CB-CD1 3.8Å; A173-M375 HydrophobicContact CB-CE 3.54Å; A173-M375 HydrophobicContact CB-CG 4Å; A173-M375 HydrophobicContact CB-SD 4.18Å
174	V	95.3	Very high	94.5	Very high	36 Å²	36	29.3 Å²	29.3	22%	0.218	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-73.1	121.8	175.8	178.3	0	0	0	0	109.6	R16 K372 K373 M375	R16-V174 PolarHBondContact NH1-O 3.04Å; R16-V174 PolarHBondContact NH2-O 3.13Å; V174-K372 HydrophobicContact CG2-CB 3.54Å; V174-K372 HydrophobicContact CG2-CD 3.9Å; V174-K372 HydrophobicContact CG2-CG 4.37Å; V174-K373 WeakPolarHBondContact CG1-O 3.28Å; V174-M375 HydrophobicContact CG2-CG 4.07Å
175	K	95.8	Very high	94.5	Very high	19 Å²	19	32.5 Å²	32.5	8%	0.083	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-90.1	138.1	-178.4	-59.2	-64.3	176.4	-76.7	0	110.9	M172 A173 E179 L180 M183 Y282 M352 G353 G374 V376	M172-K175 PolarHBondContact O-NZ 3.26Å; A173-K175 PolarHBondContact O-N 2.88Å; A173-K175 PolarHBondContact O-NZ 3.44Å; K175-E179 HydrophobicContact CB-CB 4.05Å; K175-E179 HydrophobicContact CD-CB 4.13Å; K175-L180 HydrophobicContact CB-CD2 3.65Å; K175-L180 HydrophobicContact CB-CG 3.75Å; K175-L180 HydrophobicContact CG-CD2 4.23Å; K175-M183 HydrophobicContact CD-SD 4.05Å; K175-M183 HydrophobicContact CG-SD 4.04Å; K175-Y282 HydrophobicContact CD-CE1 4.36Å; K175-M352 WeakPolarHBondContact CE-O 3.44Å; K175-M352 PolarHBondContact NZ-O 3.28Å; K175-G353 VanDerWaalsContact CE-CA 3.41Å; K175-G374 WeakPolarHBondContact CB-O 3.4Å; K175-G374 PolarHBondContact N-O 2.62Å; K175-V376 HydrophobicContact CG-CG2 4.04Å
176	E	94.5	Very high	94.7	Very high	39 Å²	39	31.8 Å²	31.8	18%	0.182	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-73.4	161	167.4	-60.8	178.5	155.1	0	0	110.6	R12 R13 G178 E179 L180	R12-E176 IonicContact CZ-OE1 3.36Å; R12-E176 IonicContact NE-OE1 2.7Å; R12-E176 PolarHBondContact NE-OE1 2.94Å; R12-E176 VanDerWaalsContact NE-OE1 3.11Å; R12-E176 IonicContact NE-OE2 2.59Å; R12-E176 IonicContact NH2-OE1 3.8Å; R12-E176 IonicContact NH2-OE2 3.64Å; R12-E176 PolarHBondContact NH2-OE2 3.35Å; R13-E176 IonicContact CZ-OE2 3.27Å; R13-E176 IonicContact NE-OE1 2.79Å; R13-E176 IonicContact NE-OE2 2.96Å; R13-E176 PolarHBondContact NE-OE2 2.73Å; R13-E176 VanDerWaalsContact NE-OE2 3.16Å; R13-E176 IonicContact NH2-OE2 3.88Å; R13-E176 PolarHBondContact NH2-OE2 3.18Å; E176-G178 PolarHBondContact O-N 2.85Å; E176-E179 HydrophobicContact CB-CG 4.2Å; E176-E179 PolarHBondContact N-OE2 3.42Å; E176-E179 CarbonylContact O-C 3.49Å; E176-E179 WeakPolarHBondContact O-CA 3.31Å; E176-E179 WeakPolarHBondContact O-CB 3.41Å; E176-E179 PolarHBondContact O-N 3.18Å; E176-L180 PolarHBondContact O-N 3.04Å
177	D	92.9	Very high	94.9	Very high	126 Å²	126	30.8 Å²	30.8	67%	0.674	17%	0.165	S	C	*	.	H	α-helix	trans	-57.1	-37.4	-178.9	-62.2	-40	0	0	0	113.1	E179 L180 N181	D177-E179 VanDerWaalsContact C-N 3.3Å; D177-E179 PolarHBondContact O-N 3.06Å; D177-L180 PolarHBondContact O-N 2.92Å; D177-N181 WeakPolarHBondContact O-CB 3.47Å; D177-N181 VanDerWaalsContact O-CG 3.24Å; D177-N181 PolarHBondContact O-N 2.89Å; D177-N181 PolarHBondContact O-ND2 2.74Å
178	G	93.5	Very high	95	Very high	48 Å²	48	32.3 Å²	32.3	50%	0.495	18%	0.178	S	C	.	.	H	α-helix	trans	-61.3	-38.4	173.5	0	0	0	0	0	112.7	E176 L182	E176-G178 PolarHBondContact O-N 2.85Å; G178-L182 WeakPolarHBondContact O-CG 3.44Å; G178-L182 PolarHBondContact O-N 3.01Å
179	E	95.3	Very high	95.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-73.3	-41.3	176.8	-55.4	-176.5	93	0	0	111.3	W55 K175 E176 D177 N181 L182 M183 Y282	W55-E179 VanDerWaalsContact CD1-OE1 3.29Å; K175-E179 HydrophobicContact CB-CB 4.05Å; K175-E179 HydrophobicContact CD-CB 4.13Å; E176-E179 HydrophobicContact CB-CG 4.2Å; E176-E179 PolarHBondContact N-OE2 3.42Å; E176-E179 CarbonylContact O-C 3.49Å; E176-E179 WeakPolarHBondContact O-CA 3.31Å; E176-E179 WeakPolarHBondContact O-CB 3.41Å; E176-E179 PolarHBondContact O-N 3.18Å; D177-E179 VanDerWaalsContact C-N 3.3Å; D177-E179 PolarHBondContact O-N 3.06Å; E179-N181 VanDerWaalsContact C-N 3.29Å; E179-N181 PolarHBondContact O-N 2.88Å; E179-L182 WeakPolarHBondContact O-CB 3.43Å; E179-L182 PolarHBondContact O-N 3.32Å; E179-L182 VanDerWaalsContact O-N 3.15Å; E179-M183 PolarHBondContact O-N 3.25Å; E179-Y282 HydrophobicContact CB-CD1 4.38Å; E179-Y282 HydrophobicContact CB-CE1 3.64Å; E179-Y282 VanDerWaalsContact CD-OH 3.32Å; E179-Y282 HydrophobicContact CG-CE1 3.89Å; E179-Y282 VanDerWaalsContact CG-OH 3.27Å; E179-Y282 WeakPolarHBondContact CG-OH 3.38Å; E179-Y282 WeakPolarHBondContact OE1-CE1 3.38Å; E179-Y282 PolarHBondContact OE1-OH 2.93Å
180	L	95.5	Very high	95.2	Very high	9 Å²	9	32.3 Å²	32.3	5%	0.047	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-40.5	175.8	-72.2	174.8	0	0	0	111.4	K175 E176 D177 L182 M183 K184 V376 Q407	K175-L180 HydrophobicContact CB-CD2 3.65Å; K175-L180 HydrophobicContact CB-CG 3.75Å; K175-L180 HydrophobicContact CG-CD2 4.23Å; E176-L180 PolarHBondContact O-N 3.04Å; D177-L180 PolarHBondContact O-N 2.92Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3Å; L180-M183 PolarHBondContact O-N 3.27Å; L180-K184 WeakPolarHBondContact O-CB 3.03Å; L180-K184 VanDerWaalsContact O-CG 3.29Å; L180-K184 WeakPolarHBondContact O-CG 3.38Å; L180-K184 PolarHBondContact O-N 3.2Å; L180-V376 HydrophobicContact CD2-CG2 3.55Å; L180-Q407 HydrophobicContact CD2-CG 4.31Å
181	N	95.9	Very high	95.2	Very high	98 Å²	98	30.3 Å²	30.3	52%	0.524	17%	0.172	S	C	.	.	H	α-helix	trans	-63.8	-36.8	176	-72.8	-20.3	0	0	0	112.5	D177 E179 K185	D177-N181 WeakPolarHBondContact O-CB 3.47Å; D177-N181 VanDerWaalsContact O-CG 3.24Å; D177-N181 PolarHBondContact O-N 2.89Å; D177-N181 PolarHBondContact O-ND2 2.74Å; E179-N181 VanDerWaalsContact C-N 3.29Å; E179-N181 PolarHBondContact O-N 2.88Å; N181-K185 WeakPolarHBondContact O-CB 3.05Å; N181-K185 PolarHBondContact O-N 3.37Å
182	L	95.6	Very high	95.2	Very high	39 Å²	39	32 Å²	32	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-43.7	173.6	-63.8	175.4	0	0	0	111.4	G178 E179 L180 K185 A186 Y279 K280 Y282	G178-L182 WeakPolarHBondContact O-CG 3.44Å; G178-L182 PolarHBondContact O-N 3.01Å; E179-L182 WeakPolarHBondContact O-CB 3.43Å; E179-L182 PolarHBondContact O-N 3.32Å; E179-L182 VanDerWaalsContact O-N 3.15Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3Å; L182-K185 PolarHBondContact O-N 3.05Å; L182-A186 PolarHBondContact O-N 3.34Å; L182-Y279 HydrophobicContact CD2-CD1 3.94Å; L182-Y279 HydrophobicContact CD2-CE1 3.69Å; L182-K280 HydrophobicContact CD2-CB 4.28Å; L182-K280 HydrophobicContact CD2-CD 3.92Å; L182-Y282 HydrophobicContact CB-CD2 3.97Å; L182-Y282 HydrophobicContact CB-CG 4.04Å; L182-Y282 HydrophobicContact CD1-CD2 3.47Å; L182-Y282 VanDerWaalsContact CD1-CD2 3.47Å; L182-Y282 HydrophobicContact CD1-CE2 3.55Å; L182-Y282 HydrophobicContact CD1-CG 4.33Å; L182-Y282 HydrophobicContact CG-CD2 4.36Å
183	M	96.6	Very high	95.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.4	-38.7	177.4	-66.8	-170.8	83.3	0	0	112.7	K175 E179 L180 K185 A186 A187 Y282 C283 M352 V376	K175-M183 HydrophobicContact CD-SD 4.05Å; K175-M183 HydrophobicContact CG-SD 4.04Å; E179-M183 PolarHBondContact O-N 3.25Å; L180-M183 PolarHBondContact O-N 3.27Å; M183-K185 VanDerWaalsContact C-N 3.34Å; M183-A186 WeakPolarHBondContact O-CB 3.48Å; M183-A186 PolarHBondContact O-N 2.79Å; M183-A187 WeakPolarHBondContact O-CB 3.2Å; M183-A187 PolarHBondContact O-N 3.42Å; M183-Y282 HydrophobicContact CG-CD1 3.81Å; M183-Y282 HydrophobicContact CG-CG 4.24Å; M183-Y282 HydrophobicContact SD-CD1 4.23Å; M183-C283 WeakPolarHBondContact CE-O 3.36Å; M183-M352 HydrophobicContact CE-CB 4.28Å; M183-M352 HydrophobicContact CE-CE 4.32Å; M183-M352 HydrophobicContact CE-CG 4.01Å; M183-V376 HydrophobicContact CE-CB 3.74Å; M183-V376 HydrophobicContact CE-CG1 3.4Å; M183-V376 HydrophobicContact CE-CG2 4.3Å; M183-V376 HydrophobicContact SD-CB 3.82Å; M183-V376 HydrophobicContact SD-CG1 4Å; M183-V376 HydrophobicContact SD-CG2 3.77Å
184	K	96.1	Very high	95.3	Very high	90 Å²	90	31.7 Å²	31.7	39%	0.391	18%	0.177	S	C	.	.	H	α-helix	trans	-60.8	-43.4	172.6	-76.4	175.1	-179.8	179.5	0	111.1	L180 A187 A188 L417	L180-K184 WeakPolarHBondContact O-CB 3.03Å; L180-K184 VanDerWaalsContact O-CG 3.29Å; L180-K184 WeakPolarHBondContact O-CG 3.38Å; L180-K184 PolarHBondContact O-N 3.2Å; K184-A187 PolarHBondContact O-N 3.02Å; K184-A188 WeakPolarHBondContact O-CB 3.38Å; K184-A188 PolarHBondContact O-N 3.39Å; K184-L417 HydrophobicContact CG-CD1 4.11Å; K184-L417 HydrophobicContact CG-CD2 4.07Å
185	K	95.6	Very high	95.1	Very high	68 Å²	68	32.2 Å²	32.2	30%	0.296	18%	0.182	S	C	.	.	H	α-helix	trans	-65.4	-41.9	175.8	-172.3	61.3	175.9	178.2	0	111.7	N181 L182 M183 A188 I189 G232 Y279	N181-K185 WeakPolarHBondContact O-CB 3.05Å; N181-K185 PolarHBondContact O-N 3.37Å; L182-K185 PolarHBondContact O-N 3.05Å; M183-K185 VanDerWaalsContact C-N 3.34Å; K185-A188 PolarHBondContact O-N 2.84Å; K185-I189 HydrophobicContact CD-CD1 4.47Å; K185-I189 HydrophobicContact CG-CD1 4.15Å; K185-I189 VanDerWaalsContact O-CG1 3.3Å; K185-I189 WeakPolarHBondContact O-CG1 3.21Å; K185-I189 PolarHBondContact O-N 3.43Å; K185-G232 PolarHBondContact NZ-O 2.86Å; K185-Y279 HydrophobicContact CB-CD1 3.83Å; K185-Y279 HydrophobicContact CB-CE1 3.99Å; K185-Y279 HydrophobicContact CG-CD1 3.79Å; K185-Y279 HydrophobicContact CG-CE1 3.69Å; K185-Y279 HydrophobicContact CG-CG 4.32Å
186	A	96.1	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-48.2	173.8	0	0	0	0	0	111.6	L182 M183 A188 I189 T190 S284	L182-A186 PolarHBondContact O-N 3.34Å; M183-A186 WeakPolarHBondContact O-CB 3.48Å; M183-A186 PolarHBondContact O-N 2.79Å; A186-A188 PolarHBondContact O-N 2.98Å; A186-I189 PolarHBondContact O-N 3.06Å; A186-T190 PolarHBondContact O-N 3.44Å; A186-T190 PolarHBondContact O-OG1 3.35Å; A186-S284 PolarHBondContact O-OG 3.38Å
187	A	96.6	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-40	179.1	0	0	0	0	0	112.8	M183 K184 T190 G191 L417 T418	M183-A187 WeakPolarHBondContact O-CB 3.2Å; M183-A187 PolarHBondContact O-N 3.42Å; K184-A187 PolarHBondContact O-N 3.02Å; A187-T190 WeakPolarHBondContact O-CB 3.19Å; A187-T190 PolarHBondContact O-N 3.12Å; A187-G191 PolarHBondContact O-N 2.98Å; A187-L417 HydrophobicContact CB-CB 4.04Å; A187-L417 WeakPolarHBondContact CB-O 3.22Å; A187-T418 HydrophobicContact CB-CG2 3.92Å
188	A	95.5	Very high	95	Very high	40 Å²	40	30.3 Å²	30.3	33%	0.331	17%	0.167	S	C	.	.	H	α-helix	trans	-62.3	-45.5	174.5	0	0	0	0	0	111.9	K184 K185 A186 T190 G191 E192	K184-A188 WeakPolarHBondContact O-CB 3.38Å; K184-A188 PolarHBondContact O-N 3.39Å; K185-A188 PolarHBondContact O-N 2.84Å; A186-A188 PolarHBondContact O-N 2.98Å; A188-T190 VanDerWaalsContact C-N 3.33Å; A188-T190 PolarHBondContact O-N 3.1Å; A188-G191 PolarHBondContact O-N 3.21Å; A188-E192 PolarHBondContact O-N 3Å
189	I	95.3	Very high	95	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-63.7	-40.4	176.3	-62.7	166.3	0	0	0	110.3	K185 A186 G191 E192 V193 L231 A234 V239 I277 Y279	K185-I189 HydrophobicContact CD-CD1 4.47Å; K185-I189 HydrophobicContact CG-CD1 4.15Å; K185-I189 VanDerWaalsContact O-CG1 3.3Å; K185-I189 WeakPolarHBondContact O-CG1 3.21Å; K185-I189 PolarHBondContact O-N 3.43Å; A186-I189 PolarHBondContact O-N 3.06Å; I189-G191 VanDerWaalsContact C-N 3.31Å; I189-G191 PolarHBondContact O-N 3.26Å; I189-E192 PolarHBondContact O-N 2.74Å; I189-V193 HydrophobicContact CG2-CG2 4.16Å; I189-V193 VanDerWaalsContact O-CG2 3.3Å; I189-V193 WeakPolarHBondContact O-CG2 3.24Å; I189-V193 PolarHBondContact O-N 3.26Å; I189-L231 HydrophobicContact CG2-CD2 4Å; I189-A234 HydrophobicContact CD1-CB 3.91Å; I189-V239 HydrophobicContact CD1-CG2 4.13Å; I189-V239 HydrophobicContact CG2-CG1 4.46Å; I189-I277 HydrophobicContact CB-CG2 4.22Å; I189-I277 HydrophobicContact CG2-CD1 4.48Å; I189-I277 HydrophobicContact CG2-CG1 4.09Å; I189-I277 HydrophobicContact CG2-CG2 4.03Å; I189-Y279 HydrophobicContact CD1-CD2 4.31Å
190	T	96.2	Very high	94.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-58.5	-44.3	174.3	-50.2	0	0	0	0	111.7	A186 A187 A188 E192 Y194 M275 I277 S284 L286	A186-T190 PolarHBondContact O-N 3.44Å; A186-T190 PolarHBondContact O-OG1 3.35Å; A187-T190 WeakPolarHBondContact O-CB 3.19Å; A187-T190 PolarHBondContact O-N 3.12Å; A188-T190 VanDerWaalsContact C-N 3.33Å; A188-T190 PolarHBondContact O-N 3.1Å; T190-E192 VanDerWaalsContact C-N 3.35Å; T190-Y194 WeakPolarHBondContact O-CB 3.41Å; T190-Y194 PolarHBondContact O-N 2.85Å; T190-M275 HydrophobicContact CG2-CG 3.98Å; T190-I277 WeakPolarHBondContact OG1-CB 3.43Å; T190-I277 WeakPolarHBondContact OG1-CG1 3.35Å; T190-I277 PolarHBondContact OG1-N 3.34Å; T190-S284 PolarHBondContact OG1-OG 3.4Å; T190-L286 HydrophobicContact CG2-CB 3.53Å; T190-L286 HydrophobicContact CG2-CD2 4.25Å
191	G	94.6	Very high	94.7	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-36.5	177.4	0	0	0	0	0	113.4	A187 A188 I189 S195 V420	A187-G191 PolarHBondContact O-N 2.98Å; A188-G191 PolarHBondContact O-N 3.21Å; I189-G191 VanDerWaalsContact C-N 3.31Å; I189-G191 PolarHBondContact O-N 3.26Å; G191-S195 WeakPolarHBondContact O-CB 3.48Å; G191-S195 PolarHBondContact O-N 3.35Å; G191-S195 PolarHBondContact O-OG 2.93Å; G191-V420 VanDerWaalsContact CA-CG2 3.42Å
192	E	93.8	Very high	94.6	Very high	40 Å²	40	31.7 Å²	31.7	19%	0.187	15%	0.154	C	C	.	.	H	α-helix	trans	-68.7	-46.9	176.9	-172	166.6	-161.8	0	0	111.9	A188 I189 T190 Y194 S195 K196 G232	A188-E192 PolarHBondContact O-N 3Å; I189-E192 PolarHBondContact O-N 2.74Å; T190-E192 VanDerWaalsContact C-N 3.35Å; E192-Y194 VanDerWaalsContact C-N 3.31Å; E192-Y194 PolarHBondContact O-N 3.44Å; E192-S195 PolarHBondContact O-N 3.41Å; E192-K196 HydrophobicContact CG-CD 3.76Å; E192-K196 HydrophobicContact CG-CG 4.22Å; E192-K196 WeakPolarHBondContact O-CB 3.5Å; E192-K196 PolarHBondContact O-N 3.44Å; E192-K196 WeakPolarHBondContact OE1-CE 3.31Å; E192-K196 IonicContact OE1-NZ 3.32Å; E192-K196 PolarHBondContact OE1-NZ 3.28Å; E192-G232 VanDerWaalsContact OE2-CA 3.3Å; E192-G232 WeakPolarHBondContact OE2-CA 3.5Å; E192-G232 PolarHBondContact OE2-N 2.73Å; E192-G232 VanDerWaalsContact OE2-N 3.12Å
193	V	94.8	Very high	94.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-61.5	-40.4	174.9	174.4	0	0	0	0	110.9	I189 F197 F198 V221 I225 M275	I189-V193 HydrophobicContact CG2-CG2 4.16Å; I189-V193 VanDerWaalsContact O-CG2 3.3Å; I189-V193 WeakPolarHBondContact O-CG2 3.24Å; I189-V193 PolarHBondContact O-N 3.26Å; V193-F197 WeakPolarHBondContact O-CB 3.48Å; V193-F197 PolarHBondContact O-N 3.42Å; V193-F198 PolarHBondContact O-N 2.95Å; V193-V221 HydrophobicContact CG1-CG1 4.28Å; V193-I225 HydrophobicContact CG1-CG2 4.46Å; V193-I225 HydrophobicContact CG2-CG2 3.96Å; V193-M275 HydrophobicContact CG1-CE 3.85Å
194	Y	95.2	Very high	94.1	Very high	6 Å²	6	36.8 Å²	36.8	2%	0.024	18%	0.177	C	C	.	.	I	π-helix	trans	-62.8	-52.3	175.5	178.2	-92.4	0	0	0	111.7	T190 E192 F198 K199 M275 L286 R288 L290 V420	T190-Y194 WeakPolarHBondContact O-CB 3.41Å; T190-Y194 PolarHBondContact O-N 2.85Å; E192-Y194 VanDerWaalsContact C-N 3.31Å; E192-Y194 PolarHBondContact O-N 3.44Å; Y194-F198 HydrophobicContact CD2-CB 4.47Å; Y194-F198 AromaticContact CD2-CD1 3.81Å; Y194-F198 HydrophobicContact CD2-CD1 3.81Å; Y194-F198 HydrophobicContact CD2-CG 4.46Å; Y194-F198 AromaticContact CE2-CD1 3.67Å; Y194-F198 HydrophobicContact CE2-CD1 3.67Å; Y194-F198 HydrophobicContact CE2-CE1 4.14Å; Y194-F198 WeakPolarHBondContact O-CB 3.2Å; Y194-F198 PolarHBondContact O-N 3.38Å; Y194-K199 WeakPolarHBondContact O-CB 3.36Å; Y194-K199 PolarHBondContact O-N 3.15Å; Y194-M275 HydrophobicContact CD2-SD 3.88Å; Y194-M275 HydrophobicContact CG-SD 4.35Å; Y194-L286 VanDerWaalsContact CB-CD2 3.5Å; Y194-L286 HydrophobicContact CD1-CD2 4.2Å; Y194-L286 HydrophobicContact CD2-CD2 3.88Å; Y194-L286 HydrophobicContact CG-CD2 3.58Å; Y194-R288 HydrophobicContact CE1-CG 4.14Å; Y194-R288 HydrophobicContact CE2-CB 3.69Å; Y194-R288 HydrophobicContact CE2-CG 3.93Å; Y194-R288 WeakPolarHBondContact OH-CB 3.39Å; Y194-L290 WeakPolarHBondContact OH-CD2 3.4Å; Y194-V420 HydrophobicContact CD1-CG1 3.51Å; Y194-V420 HydrophobicContact CD1-CG2 4.3Å; Y194-V420 HydrophobicContact CE1-CG1 3.57Å; Y194-V420 HydrophobicContact CG-CG1 4.49Å
195	S	92.6	Very high	93.9	Very high	46 Å²	46	32.5 Å²	32.5	32%	0.322	16%	0.158	S	C	.	.	I	π-helix	trans	-75.8	-45	-169.9	-50.7	0	0	0	0	112.4	G191 E192	G191-S195 WeakPolarHBondContact O-CB 3.48Å; G191-S195 PolarHBondContact O-N 3.35Å; G191-S195 PolarHBondContact O-OG 2.93Å; E192-S195 PolarHBondContact O-N 3.41Å
196	K	91.8	Very high	93.6	Very high	113 Å²	113	29.5 Å²	29.5	49%	0.491	15%	0.146	S	C	.	.	I	π-helix	trans	-88.7	-13.3	-173.9	-62.3	-170.7	178.2	174.4	0	114.9	E192 Y230	E192-K196 HydrophobicContact CG-CD 3.76Å; E192-K196 HydrophobicContact CG-CG 4.22Å; E192-K196 WeakPolarHBondContact O-CB 3.5Å; E192-K196 PolarHBondContact O-N 3.44Å; E192-K196 WeakPolarHBondContact OE1-CE 3.31Å; E192-K196 IonicContact OE1-NZ 3.32Å; E192-K196 PolarHBondContact OE1-NZ 3.28Å; K196-Y230 HydrophobicContact CB-CD1 3.99Å; K196-Y230 HydrophobicContact CB-CE1 3.95Å
197	F	94.2	Very high	93.2	Very high	32 Å²	32	35.2 Å²	35.2	14%	0.14	18%	0.176	C	C	.	.	I	π-helix	trans	-126.4	-60.5	-178.7	178.1	-93.6	0	0	0	111.8	V193 R201 S220 V221 A224 Y230	V193-F197 WeakPolarHBondContact O-CB 3.48Å; V193-F197 PolarHBondContact O-N 3.42Å; F197-R201 WeakPolarHBondContact O-CB 3.45Å; F197-R201 PolarHBondContact O-N 2.94Å; F197-S220 WeakPolarHBondContact CE1-O 3.36Å; F197-S220 VanDerWaalsContact CZ-O 3.27Å; F197-S220 WeakPolarHBondContact CZ-O 3.3Å; F197-V221 HydrophobicContact CD1-CG2 4.07Å; F197-V221 HydrophobicContact CE1-CB 4.25Å; F197-V221 HydrophobicContact CE1-CG2 3.75Å; F197-A224 HydrophobicContact CB-CB 4.41Å; F197-A224 HydrophobicContact CD1-CB 3.69Å; F197-A224 HydrophobicContact CD2-CB 3.87Å; F197-A224 HydrophobicContact CE1-CB 3.87Å; F197-A224 HydrophobicContact CE2-CB 4.01Å; F197-A224 HydrophobicContact CG-CB 3.7Å; F197-A224 HydrophobicContact CZ-CB 4.01Å; F197-Y230 HydrophobicContact CB-CD1 4.28Å; F197-Y230 HydrophobicContact CB-CE1 3.9Å; F197-Y230 HydrophobicContact CB-CE2 4.23Å; F197-Y230 AromaticContact CD2-CE2 3.8Å; F197-Y230 HydrophobicContact CD2-CE2 3.8Å; F197-Y230 AromaticContact CD2-CZ 3.74Å; F197-Y230 HydrophobicContact CG-CE2 4.31Å
198	F	94.8	Very high	92.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-65.2	-49.7	-172	179.5	-97.5	0	0	0	112.3	V193 Y194 R201 V202 L217 V221 I247 C273 M275 L290	V193-F198 PolarHBondContact O-N 2.95Å; Y194-F198 HydrophobicContact CD2-CB 4.47Å; Y194-F198 AromaticContact CD2-CD1 3.81Å; Y194-F198 HydrophobicContact CD2-CD1 3.81Å; Y194-F198 HydrophobicContact CD2-CG 4.46Å; Y194-F198 AromaticContact CE2-CD1 3.67Å; Y194-F198 HydrophobicContact CE2-CD1 3.67Å; Y194-F198 HydrophobicContact CE2-CE1 4.14Å; Y194-F198 WeakPolarHBondContact O-CB 3.2Å; Y194-F198 PolarHBondContact O-N 3.38Å; F198-R201 PolarHBondContact O-N 3.35Å; F198-V202 HydrophobicContact CD1-CG2 4.39Å; F198-V202 HydrophobicContact CD2-CG2 4.5Å; F198-V202 HydrophobicContact CE1-CG2 3.86Å; F198-V202 HydrophobicContact CE2-CG2 4Å; F198-V202 HydrophobicContact CZ-CG2 3.64Å; F198-V202 WeakPolarHBondContact O-CG2 3.39Å; F198-V202 PolarHBondContact O-N 3.45Å; F198-L217 HydrophobicContact CD2-CG 4.48Å; F198-L217 HydrophobicContact CE2-CD2 3.67Å; F198-L217 HydrophobicContact CE2-CG 3.99Å; F198-L217 HydrophobicContact CZ-CD2 4.26Å; F198-V221 HydrophobicContact CD2-CG2 3.7Å; F198-I247 HydrophobicContact CE2-CD1 4.34Å; F198-I247 HydrophobicContact CE2-CG1 3.68Å; F198-I247 HydrophobicContact CZ-CG1 4.02Å; F198-C273 HydrophobicContact CD1-CB 4.17Å; F198-C273 HydrophobicContact CE1-CB 3.32Å; F198-C273 WeakPolarHBondContact CE1-SG 3.4Å; F198-C273 HydrophobicContact CE2-CB 4.29Å; F198-C273 HydrophobicContact CZ-CB 3.4Å; F198-C273 VanDerWaalsContact CZ-CB 3.4Å; F198-C273 WeakPolarHBondContact CZ-SG 3.47Å; F198-M275 HydrophobicContact CB-CE 4.34Å; F198-L290 HydrophobicContact CE1-CD1 4.03Å
199	K	93.1	Very high	92.5	Very high	50 Å²	50	41.5 Å²	41.5	22%	0.217	21%	0.213	C	C	.	.	I	π-helix	trans	-62.2	-51.4	-179.1	-174	-176.4	168.8	-179.7	0	110.9	Y194 R201 V202 M203 N426	Y194-K199 WeakPolarHBondContact O-CB 3.36Å; Y194-K199 PolarHBondContact O-N 3.15Å; K199-R201 VanDerWaalsContact C-N 3.32Å; K199-R201 PolarHBondContact O-N 3.42Å; K199-V202 PolarHBondContact O-N 2.88Å; K199-V202 VanDerWaalsContact O-N 3.13Å; K199-M203 HydrophobicContact CG-CE 4.2Å; K199-M203 HydrophobicContact CG-SD 4.27Å; K199-M203 WeakPolarHBondContact O-CG 3.45Å; K199-M203 PolarHBondContact O-N 3.29Å; K199-N426 PolarHBondContact NZ-O 3.35Å
200	E	92.3	Very high	92.3	Very high	73 Å²	73	45.3 Å²	45.3	34%	0.341	23%	0.231	S	C	.	.	H	α-helix	trans	-54	-48.2	175.7	-61.3	-48.2	125	0	0	111.8	V202 M203 E204	E200-V202 VanDerWaalsContact C-N 3.3Å; E200-V202 PolarHBondContact O-N 3.2Å; E200-M203 PolarHBondContact O-N 3.32Å; E200-M203 VanDerWaalsContact O-N 3.14Å; E200-M203 WeakPolarHBondContact OE1-CE 3.5Å; E200-M203 WeakPolarHBondContact OE2-CE 3.27Å; E200-E204 WeakPolarHBondContact O-CG 3.27Å; E200-E204 PolarHBondContact O-N 2.9Å
201	R	93	Very high	92	Very high	62 Å²	62	53.2 Å²	53.2	23%	0.234	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-35.1	-179.9	-175	57.6	-171.5	143.1	11.6	112.5	F197 F198 K199 E204 I205 E210 L217	F197-R201 WeakPolarHBondContact O-CB 3.45Å; F197-R201 PolarHBondContact O-N 2.94Å; F198-R201 PolarHBondContact O-N 3.35Å; K199-R201 VanDerWaalsContact C-N 3.32Å; K199-R201 PolarHBondContact O-N 3.42Å; R201-E204 VanDerWaalsContact CD-OE2 3.3Å; R201-E204 WeakPolarHBondContact CD-OE2 3.44Å; R201-E204 IonicContact CZ-OE2 2.88Å; R201-E204 IonicContact NE-OE2 2.62Å; R201-E204 IonicContact NH1-OE2 3.04Å; R201-E204 PolarHBondContact NH1-OE2 3.31Å; R201-I205 HydrophobicContact CG-CD1 4Å; R201-I205 WeakPolarHBondContact O-CB 3.38Å; R201-I205 VanDerWaalsContact O-CD1 3.24Å; R201-I205 WeakPolarHBondContact O-CD1 3.47Å; R201-I205 WeakPolarHBondContact O-CG1 3.4Å; R201-I205 PolarHBondContact O-N 2.87Å; R201-I205 VanDerWaalsContact O-N 3.13Å; R201-E210 IonicContact CZ-OE2 3.8Å; R201-E210 IonicContact NH1-OE2 3.26Å; R201-E210 IonicContact NH2-OE2 2.65Å; R201-E210 PolarHBondContact NH2-OE2 2.87Å; R201-L217 HydrophobicContact CB-CD1 4.45Å; R201-L217 HydrophobicContact CG-CD1 3.72Å
202	V	93.3	Very high	92	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.6	-41.4	174.5	171.7	0	0	0	0	110.9	F198 K199 E200 I205 V206 L217 M266 I271 L290 I429	F198-V202 HydrophobicContact CD1-CG2 4.39Å; F198-V202 HydrophobicContact CD2-CG2 4.5Å; F198-V202 HydrophobicContact CE1-CG2 3.86Å; F198-V202 HydrophobicContact CE2-CG2 4Å; F198-V202 HydrophobicContact CZ-CG2 3.64Å; F198-V202 WeakPolarHBondContact O-CG2 3.39Å; F198-V202 PolarHBondContact O-N 3.45Å; K199-V202 PolarHBondContact O-N 2.88Å; K199-V202 VanDerWaalsContact O-N 3.13Å; E200-V202 VanDerWaalsContact C-N 3.3Å; E200-V202 PolarHBondContact O-N 3.2Å; V202-I205 PolarHBondContact O-N 3.33Å; V202-V206 HydrophobicContact CG1-CG2 4.28Å; V202-V206 VanDerWaalsContact O-CG2 3.26Å; V202-V206 WeakPolarHBondContact O-CG2 3.35Å; V202-V206 PolarHBondContact O-N 2.89Å; V202-L217 HydrophobicContact CG2-CD2 3.89Å; V202-M266 HydrophobicContact CG1-CE 4.04Å; V202-M266 HydrophobicContact CG1-SD 4.49Å; V202-M266 HydrophobicContact CG2-CE 4.5Å; V202-M266 HydrophobicContact CG2-SD 4.33Å; V202-I271 HydrophobicContact CG1-CD1 4.06Å; V202-L290 HydrophobicContact CB-CD1 3.97Å; V202-L290 HydrophobicContact CG1-CD1 3.75Å; V202-L290 HydrophobicContact CG2-CD1 4.25Å; V202-I429 HydrophobicContact CG1-CD1 4.38Å
203	M	89.4	Confident	92	Very high	44 Å²	44	58 Å²	58	22%	0.217	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-48.1	176.2	-66.8	-175	-52.6	0	0	111	K199 E200 I205 V206 D207 I429	K199-M203 HydrophobicContact CG-CE 4.2Å; K199-M203 HydrophobicContact CG-SD 4.27Å; K199-M203 WeakPolarHBondContact O-CG 3.45Å; K199-M203 PolarHBondContact O-N 3.29Å; E200-M203 PolarHBondContact O-N 3.32Å; E200-M203 VanDerWaalsContact O-N 3.14Å; E200-M203 WeakPolarHBondContact OE1-CE 3.5Å; E200-M203 WeakPolarHBondContact OE2-CE 3.27Å; M203-I205 VanDerWaalsContact C-N 3.27Å; M203-I205 PolarHBondContact O-N 3.01Å; M203-V206 PolarHBondContact O-N 2.91Å; M203-D207 WeakPolarHBondContact O-CB 3.41Å; M203-D207 VanDerWaalsContact O-CG 3.26Å; M203-D207 PolarHBondContact O-N 3.12Å; M203-I429 HydrophobicContact CG-CD1 4.12Å
204	E	91.7	Very high	92	Very high	102 Å²	102	58 Å²	58	48%	0.477	28%	0.283	S	S	.	.	H	α-helix	trans	-54.7	-41.6	173.6	-71.2	174.5	-177.4	0	0	112.9	E200 R201 A208	E200-E204 WeakPolarHBondContact O-CG 3.27Å; E200-E204 PolarHBondContact O-N 2.9Å; R201-E204 VanDerWaalsContact CD-OE2 3.3Å; R201-E204 WeakPolarHBondContact CD-OE2 3.44Å; R201-E204 IonicContact CZ-OE2 2.88Å; R201-E204 IonicContact NE-OE2 2.62Å; R201-E204 IonicContact NH1-OE2 3.04Å; R201-E204 PolarHBondContact NH1-OE2 3.31Å; E204-A208 WeakPolarHBondContact O-CB 3.48Å; E204-A208 PolarHBondContact O-N 2.9Å
205	I	91.9	Very high	92	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-38.7	179.9	-71.1	164.6	0	0	0	111	R201 V202 M203 D209 E210 V212 L217 M266 F268	R201-I205 HydrophobicContact CG-CD1 4Å; R201-I205 WeakPolarHBondContact O-CB 3.38Å; R201-I205 VanDerWaalsContact O-CD1 3.24Å; R201-I205 WeakPolarHBondContact O-CD1 3.47Å; R201-I205 WeakPolarHBondContact O-CG1 3.4Å; R201-I205 PolarHBondContact O-N 2.87Å; R201-I205 VanDerWaalsContact O-N 3.13Å; V202-I205 PolarHBondContact O-N 3.33Å; M203-I205 VanDerWaalsContact C-N 3.27Å; M203-I205 PolarHBondContact O-N 3.01Å; I205-D209 PolarHBondContact O-N 3Å; I205-E210 HydrophobicContact CB-CB 4.48Å; I205-E210 HydrophobicContact CG2-CB 4.05Å; I205-E210 VanDerWaalsContact CG2-O 3.23Å; I205-E210 WeakPolarHBondContact CG2-O 3.46Å; I205-E210 PolarHBondContact O-N 3.26Å; I205-V212 HydrophobicContact CD1-CB 3.9Å; I205-V212 HydrophobicContact CD1-CG1 4.13Å; I205-V212 HydrophobicContact CD1-CG2 3.67Å; I205-V212 HydrophobicContact CG1-CB 4.44Å; I205-V212 HydrophobicContact CG1-CG2 3.75Å; I205-V212 HydrophobicContact CG2-CB 4.33Å; I205-V212 HydrophobicContact CG2-CG2 4.04Å; I205-L217 HydrophobicContact CD1-CD1 4.05Å; I205-M266 HydrophobicContact CB-CE 4Å; I205-M266 HydrophobicContact CD1-CE 4.37Å; I205-M266 HydrophobicContact CG2-CE 3.47Å; I205-M266 VanDerWaalsContact CG2-CE 3.47Å; I205-F268 HydrophobicContact CG2-CE1 4.15Å; I205-F268 HydrophobicContact CG2-CZ 4.39Å
206	V	90.2	Very high	92.1	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-70.4	-47.6	179	169.6	0	0	0	0	110.3	V202 M203 A208 D209 F268 V292 I429 L431	V202-V206 HydrophobicContact CG1-CG2 4.28Å; V202-V206 VanDerWaalsContact O-CG2 3.26Å; V202-V206 WeakPolarHBondContact O-CG2 3.35Å; V202-V206 PolarHBondContact O-N 2.89Å; M203-V206 PolarHBondContact O-N 2.91Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 2.87Å; V206-D209 PolarHBondContact O-N 3.44Å; V206-F268 HydrophobicContact CG2-CD1 3.74Å; V206-F268 HydrophobicContact CG2-CE1 3.85Å; V206-F268 HydrophobicContact CG2-CG 4.29Å; V206-F268 HydrophobicContact CG2-CZ 4.45Å; V206-V292 HydrophobicContact CG1-CG1 4.27Å; V206-V292 HydrophobicContact CG1-CG2 4.38Å; V206-V292 HydrophobicContact CG2-CG2 4.1Å; V206-I429 HydrophobicContact CG1-CG2 4.07Å; V206-L431 HydrophobicContact CG1-CD2 3.59Å; V206-L431 HydrophobicContact CG1-CG 4.37Å
207	D	88.1	Confident	92.2	Very high	120 Å²	120	56.4 Å²	56.4	64%	0.642	27%	0.274	S	S	*	.	H	α-helix	trans	-64.7	-35.1	-179.3	-66.1	-17.9	0	0	0	112.4	M203	M203-D207 WeakPolarHBondContact O-CB 3.41Å; M203-D207 VanDerWaalsContact O-CG 3.26Å; M203-D207 PolarHBondContact O-N 3.12Å
208	A	88.9	Confident	92.2	Very high	62 Å²	62	55.2 Å²	55.2	51%	0.512	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.6	178.7	0	0	0	0	0	114.2	E204 V206 E210	E204-A208 WeakPolarHBondContact O-CB 3.48Å; E204-A208 PolarHBondContact O-N 2.9Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 2.87Å; A208-E210 HydrophobicContact CB-CG 3.88Å; A208-E210 PolarHBondContact O-N 2.83Å; A208-E210 VanDerWaalsContact O-N 3.15Å
209	D	87.8	Confident	92.2	Very high	111 Å²	111	59.2 Å²	59.2	59%	0.594	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	39.9	-171.7	-170.5	32.8	0	0	0	112.8	I205 V206 F268	I205-D209 PolarHBondContact O-N 3Å; V206-D209 PolarHBondContact O-N 3.44Å; D209-F268 VanDerWaalsContact OD1-CE2 3.28Å; D209-F268 WeakPolarHBondContact OD1-CE2 3.45Å
210	E	91	Very high	92.3	Very high	81 Å²	81	58.4 Å²	58.4	38%	0.379	29%	0.289	S	S	.	.			trans	-78.1	131.8	-175.7	-82.7	-173.2	-178.2	0	0	111.9	R201 I205 A208 V212	R201-E210 IonicContact CZ-OE2 3.8Å; R201-E210 IonicContact NH1-OE2 3.26Å; R201-E210 IonicContact NH2-OE2 2.65Å; R201-E210 PolarHBondContact NH2-OE2 2.87Å; I205-E210 HydrophobicContact CB-CB 4.48Å; I205-E210 HydrophobicContact CG2-CB 4.05Å; I205-E210 VanDerWaalsContact CG2-O 3.23Å; I205-E210 WeakPolarHBondContact CG2-O 3.46Å; I205-E210 PolarHBondContact O-N 3.26Å; A208-E210 HydrophobicContact CB-CG 3.88Å; A208-E210 PolarHBondContact O-N 2.83Å; A208-E210 VanDerWaalsContact O-N 3.15Å; E210-V212 HydrophobicContact CB-CG2 4.15Å; E210-V212 PolarHBondContact O-N 3.38Å
211	K	90.3	Very high	92.3	Very high	167 Å²	167	54.9 Å²	54.9	73%	0.726	27%	0.273	S	S	*	.			trans	-85.5	78.8	176.3	-64.9	-172.7	-178.5	180	0	112.4	H265	K211-H265 PolarHBondContact O-CE1 3.21Å; K211-H265 PolarHBondContact O-ND1 2.9Å; K211-H265 VanDerWaalsContact O-ND1 3.12Å
212	V	93.5	Very high	92.3	Very high	20 Å²	20	55.3 Å²	55.3	12%	0.121	28%	0.277	C	S	.	.			trans	-93	141.5	177.2	-175.5	0	0	0	0	111.7	I205 E210 K216 L217 H265 M266	I205-V212 HydrophobicContact CD1-CB 3.9Å; I205-V212 HydrophobicContact CD1-CG1 4.13Å; I205-V212 HydrophobicContact CD1-CG2 3.67Å; I205-V212 HydrophobicContact CG1-CB 4.44Å; I205-V212 HydrophobicContact CG1-CG2 3.75Å; I205-V212 HydrophobicContact CG2-CB 4.33Å; I205-V212 HydrophobicContact CG2-CG2 4.04Å; E210-V212 HydrophobicContact CB-CG2 4.15Å; E210-V212 PolarHBondContact O-N 3.38Å; V212-K216 HydrophobicContact CG1-CB 4.26Å; V212-K216 HydrophobicContact CG1-CG 4.49Å; V212-L217 HydrophobicContact CG1-CB 4.39Å; V212-H265 CarbonylContact O-C 3.5Å; V212-H265 WeakPolarHBondContact O-CA 3.29Å; V212-M266 PolarHBondContact O-N 2.92Å
213	R	95.1	Very high	92.3	Very high	124 Å²	124	60.9 Å²	60.9	47%	0.468	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-82.7	146.2	175.1	-65.4	-179	179.1	-178.1	0.2	111.5	S215 K216 L217 K263 N264	R213-S215 PolarHBondContact O-N 2.91Å; R213-K216 HydrophobicContact CB-CB 4.23Å; R213-K216 WeakPolarHBondContact O-CA 3.34Å; R213-K216 WeakPolarHBondContact O-CB 3.46Å; R213-K216 PolarHBondContact O-N 3.25Å; R213-L217 PolarHBondContact O-N 2.91Å; R213-K263 WeakPolarHBondContact CD-O 3.43Å; R213-N264 VanDerWaalsContact CA-O 3.27Å; R213-N264 WeakPolarHBondContact CA-O 3.28Å
214	H	94.2	Very high	92.4	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-54.3	-49.2	176.9	-59.8	134.5	0	0	0	112.6	K216 L217 A218 I247 S249 D262 N264 M266	H214-K216 VanDerWaalsContact C-N 3.25Å; H214-K216 PolarHBondContact O-N 2.89Å; H214-L217 PolarHBondContact O-N 2.92Å; H214-L217 VanDerWaalsContact O-N 3.16Å; H214-A218 PolarHBondContact O-N 3.3Å; H214-I247 HydrophobicContact CB-CB 4.31Å; H214-S249 PolarHBondContact CE1-OG 2.94Å; H214-S249 PolarHBondContact NE2-N 2.8Å; H214-S249 PolarHBondContact NE2-OG 3.44Å; H214-D262 IonicContact CE1-OD1 2.87Å; H214-D262 IonicContact CG-OD1 2.84Å; H214-D262 IonicContact ND1-OD1 3.8Å; H214-D262 PolarHBondContact ND1-OD1 3.47Å; H214-D262 IonicContact ND1-OD2 3.46Å; H214-N264 PolarHBondContact N-O 3.1Å; H214-M266 WeakPolarHBondContact NE2-CA 3.43Å
215	S	94.7	Very high	92.5	Very high	30 Å²	30	54.7 Å²	54.7	21%	0.21	27%	0.273	C	S	.	.	H	α-helix	trans	-56.4	-36.2	174.3	35.5	0	0	0	0	113.4	R213 A218 E219 D262	R213-S215 PolarHBondContact O-N 2.91Å; S215-A218 PolarHBondContact O-N 2.66Å; S215-E219 WeakPolarHBondContact O-CG 3.47Å; S215-E219 PolarHBondContact O-N 2.98Å; S215-D262 VanDerWaalsContact CB-O 3.27Å; S215-D262 WeakPolarHBondContact CB-O 3.38Å; S215-D262 PolarHBondContact N-O 3.16Å; S215-D262 PolarHBondContact OG-O 3.27Å
216	K	94.8	Very high	92.4	Very high	98 Å²	98	61.4 Å²	61.4	43%	0.426	30%	0.304	S	S	.	.	H	α-helix	trans	-71.6	-37	178.8	-172	62.2	-171.6	170.3	0	112.1	V212 R213 H214 E219 S220	V212-K216 HydrophobicContact CG1-CB 4.26Å; V212-K216 HydrophobicContact CG1-CG 4.49Å; R213-K216 HydrophobicContact CB-CB 4.23Å; R213-K216 WeakPolarHBondContact O-CA 3.34Å; R213-K216 WeakPolarHBondContact O-CB 3.46Å; R213-K216 PolarHBondContact O-N 3.25Å; H214-K216 VanDerWaalsContact C-N 3.25Å; H214-K216 PolarHBondContact O-N 2.89Å; K216-E219 WeakPolarHBondContact CD-OE2 3.1Å; K216-E219 IonicContact NZ-OE2 2.82Å; K216-E219 PolarHBondContact NZ-OE2 3.39Å; K216-S220 PolarHBondContact O-N 3.08Å; K216-S220 VanDerWaalsContact O-N 3.12Å; K216-S220 PolarHBondContact O-OG 3.48Å
217	L	93.4	Very high	92.3	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-67.1	-41.1	174.4	-170.5	58.5	0	0	0	110.9	F198 R201 V202 I205 V212 R213 H214 S220 V221 I247 M266	F198-L217 HydrophobicContact CD2-CG 4.48Å; F198-L217 HydrophobicContact CE2-CD2 3.67Å; F198-L217 HydrophobicContact CE2-CG 3.99Å; F198-L217 HydrophobicContact CZ-CD2 4.26Å; R201-L217 HydrophobicContact CB-CD1 4.45Å; R201-L217 HydrophobicContact CG-CD1 3.72Å; V202-L217 HydrophobicContact CG2-CD2 3.89Å; I205-L217 HydrophobicContact CD1-CD1 4.05Å; V212-L217 HydrophobicContact CG1-CB 4.39Å; R213-L217 PolarHBondContact O-N 2.91Å; H214-L217 PolarHBondContact O-N 2.92Å; H214-L217 VanDerWaalsContact O-N 3.16Å; L217-S220 WeakPolarHBondContact O-CB 3.49Å; L217-S220 PolarHBondContact O-N 2.79Å; L217-S220 VanDerWaalsContact O-N 3.1Å; L217-V221 WeakPolarHBondContact O-CG2 3.35Å; L217-V221 PolarHBondContact O-N 2.93Å; L217-I247 HydrophobicContact CB-CD1 4.49Å; L217-I247 HydrophobicContact CD2-CG1 4.26Å; L217-I247 HydrophobicContact CD2-CG2 4.33Å; L217-M266 HydrophobicContact CD2-SD 3.86Å
218	A	94.4	Very high	92.3	Very high	8 Å²	8	66.8 Å²	66.8	7%	0.066	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-47.7	173.9	0	0	0	0	0	112.5	H214 S215 S220 V221 E222 P245 I247	H214-A218 PolarHBondContact O-N 3.3Å; S215-A218 PolarHBondContact O-N 2.66Å; A218-S220 PolarHBondContact O-N 3.24Å; A218-V221 WeakPolarHBondContact O-CB 3.41Å; A218-V221 PolarHBondContact O-N 3.09Å; A218-V221 VanDerWaalsContact O-N 3.16Å; A218-E222 WeakPolarHBondContact O-CG 2.63Å; A218-E222 PolarHBondContact O-N 2.88Å; A218-P245 HydrophobicContact CB-CB 4.18Å; A218-P245 VanDerWaalsContact CB-O 3.3Å; A218-P245 WeakPolarHBondContact CB-O 3.32Å; A218-I247 HydrophobicContact CB-CD1 3.7Å
219	E	95.1	Very high	92.2	Very high	84 Å²	84	69.5 Å²	69.5	39%	0.393	32%	0.323	S	S	.	.	H	α-helix	trans	-57.6	-35.7	173.6	-76.4	176.1	-166.1	0	0	112.3	S215 K216 E222 K223	S215-E219 WeakPolarHBondContact O-CG 3.47Å; S215-E219 PolarHBondContact O-N 2.98Å; K216-E219 WeakPolarHBondContact CD-OE2 3.1Å; K216-E219 IonicContact NZ-OE2 2.82Å; K216-E219 PolarHBondContact NZ-OE2 3.39Å; E219-E222 PolarHBondContact O-N 3.01Å; E219-K223 WeakPolarHBondContact O-CG 3.39Å; E219-K223 PolarHBondContact O-N 3.16Å
220	S	94.2	Very high	92.2	Very high	32 Å²	32	65.5 Å²	65.5	22%	0.224	30%	0.3	C	S	.	.	H	α-helix	trans	-70.4	-37.8	-179.1	-54.5	0	0	0	0	110.8	F197 K216 L217 A218 K223 A224	F197-S220 WeakPolarHBondContact CE1-O 3.36Å; F197-S220 VanDerWaalsContact CZ-O 3.27Å; F197-S220 WeakPolarHBondContact CZ-O 3.3Å; K216-S220 PolarHBondContact O-N 3.08Å; K216-S220 VanDerWaalsContact O-N 3.12Å; K216-S220 PolarHBondContact O-OG 3.48Å; L217-S220 WeakPolarHBondContact O-CB 3.49Å; L217-S220 PolarHBondContact O-N 2.79Å; L217-S220 VanDerWaalsContact O-N 3.1Å; A218-S220 PolarHBondContact O-N 3.24Å; S220-K223 PolarHBondContact O-N 3.39Å; S220-A224 PolarHBondContact O-N 2.62Å
221	V	94.1	Very high	92.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-40.6	172.5	171.7	0	0	0	0	111.7	V193 F197 F198 L217 A218 K223 A224 M241 P245 M275	V193-V221 HydrophobicContact CG1-CG1 4.28Å; F197-V221 HydrophobicContact CD1-CG2 4.07Å; F197-V221 HydrophobicContact CE1-CB 4.25Å; F197-V221 HydrophobicContact CE1-CG2 3.75Å; F198-V221 HydrophobicContact CD2-CG2 3.7Å; L217-V221 WeakPolarHBondContact O-CG2 3.35Å; L217-V221 PolarHBondContact O-N 2.93Å; A218-V221 WeakPolarHBondContact O-CB 3.41Å; A218-V221 PolarHBondContact O-N 3.09Å; A218-V221 VanDerWaalsContact O-N 3.16Å; V221-K223 VanDerWaalsContact C-N 3.3Å; V221-K223 PolarHBondContact O-N 3.11Å; V221-A224 WeakPolarHBondContact O-CB 3.17Å; V221-A224 PolarHBondContact O-N 3.39Å; V221-M241 HydrophobicContact CG1-CE 3.61Å; V221-M241 WeakPolarHBondContact O-CE 3.46Å; V221-P245 HydrophobicContact CB-CB 4.29Å; V221-P245 HydrophobicContact CB-CG 3.95Å; V221-P245 HydrophobicContact CG1-CB 4.01Å; V221-P245 HydrophobicContact CG1-CG 3.51Å; V221-M275 HydrophobicContact CB-CE 4.32Å; V221-M275 HydrophobicContact CG1-CE 3.13Å; V221-M275 HydrophobicContact CG2-CE 4.19Å
222	E	92.3	Very high	91.6	Very high	70 Å²	70	55.4 Å²	55.4	33%	0.327	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-37.2	174.6	-71.9	174.5	168.3	0	0	112.2	A218 E219 I225 M241 P244 P245	A218-E222 WeakPolarHBondContact O-CG 2.63Å; A218-E222 PolarHBondContact O-N 2.88Å; E219-E222 PolarHBondContact O-N 3.01Å; E222-I225 WeakPolarHBondContact O-CG1 3.39Å; E222-M241 HydrophobicContact CG-CG 4.16Å; E222-P244 WeakPolarHBondContact OE1-CA 3.4Å; E222-P245 HydrophobicContact CG-CG 4.09Å; E222-P245 WeakPolarHBondContact OE1-CD 3.41Å
223	K	93.8	Very high	91	Very high	117 Å²	117	58.2 Å²	58.2	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-71.8	-31.6	174.5	-71.4	177.6	-178.5	-172.4	0	112.9	E219 S220 V221 I225 E226	E219-K223 WeakPolarHBondContact O-CG 3.39Å; E219-K223 PolarHBondContact O-N 3.16Å; S220-K223 PolarHBondContact O-N 3.39Å; V221-K223 VanDerWaalsContact C-N 3.3Å; V221-K223 PolarHBondContact O-N 3.11Å; K223-I225 PolarHBondContact O-N 2.98Å; K223-E226 WeakPolarHBondContact O-CB 3.17Å; K223-E226 PolarHBondContact O-N 2.9Å
224	A	91.9	Very high	90.6	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-34	-179.9	0	0	0	0	0	112.1	F197 S220 V221 E226 E227 Y230	F197-A224 HydrophobicContact CB-CB 4.41Å; F197-A224 HydrophobicContact CD1-CB 3.69Å; F197-A224 HydrophobicContact CD2-CB 3.87Å; F197-A224 HydrophobicContact CE1-CB 3.87Å; F197-A224 HydrophobicContact CE2-CB 4.01Å; F197-A224 HydrophobicContact CG-CB 3.7Å; F197-A224 HydrophobicContact CZ-CB 4.01Å; S220-A224 PolarHBondContact O-N 2.62Å; V221-A224 WeakPolarHBondContact O-CB 3.17Å; V221-A224 PolarHBondContact O-N 3.39Å; A224-E226 PolarHBondContact O-N 2.9Å; A224-E227 WeakPolarHBondContact O-CB 3.35Å; A224-E227 PolarHBondContact O-N 3.42Å; A224-Y230 HydrophobicContact CB-CD2 3.9Å; A224-Y230 HydrophobicContact CB-CE2 4.08Å; A224-Y230 WeakPolarHBondContact O-CD2 3.27Å
225	I	91.8	Very high	90.3	Very high	15 Å²	15	57 Å²	57	8%	0.077	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.8	179	63.2	158.4	0	0	0	114	V193 E222 K223 E227 L231 V239 M241 I277	V193-I225 HydrophobicContact CG1-CG2 4.46Å; V193-I225 HydrophobicContact CG2-CG2 3.96Å; E222-I225 WeakPolarHBondContact O-CG1 3.39Å; K223-I225 PolarHBondContact O-N 2.98Å; I225-E227 VanDerWaalsContact C-N 3.28Å; I225-L231 HydrophobicContact CB-CD2 4.34Å; I225-L231 WeakPolarHBondContact O-CD1 3.47Å; I225-L231 WeakPolarHBondContact O-CD2 3.39Å; I225-V239 HydrophobicContact CB-CG1 4.31Å; I225-M241 HydrophobicContact CB-CE 4.29Å; I225-M241 HydrophobicContact CD1-CE 3.99Å; I225-M241 HydrophobicContact CD1-CG 3.79Å; I225-M241 HydrophobicContact CD1-SD 4.26Å; I225-M241 HydrophobicContact CG1-CE 3.93Å; I225-M241 HydrophobicContact CG2-CE 3.38Å; I225-M241 HydrophobicContact CG2-SD 4.33Å; I225-I277 HydrophobicContact CG2-CD1 3.51Å
226	E	90.8	Very high	90	Very high	141 Å²	141	57.1 Å²	57.1	66%	0.659	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-18.9	170.7	-56.8	-179.4	170.4	0	0	111.2	K223 A224	K223-E226 WeakPolarHBondContact O-CB 3.17Å; K223-E226 PolarHBondContact O-N 2.9Å; A224-E226 PolarHBondContact O-N 2.9Å
227	E	88.7	Confident	89.7	Confident	84 Å²	84	56.9 Å²	56.9	39%	0.393	31%	0.313	S	S	.	.	S	Bend	trans	-90.6	116.8	-176.9	-58.6	-176.4	171.9	0	0	111.2	A224 I225 K229 Y230	A224-E227 WeakPolarHBondContact O-CB 3.35Å; A224-E227 PolarHBondContact O-N 3.42Å; I225-E227 VanDerWaalsContact C-N 3.28Å; E227-K229 HydrophobicContact CB-CG 4.17Å; E227-K229 PolarHBondContact O-N 3.16Å; E227-K229 WeakPolarHBondContact OE2-CE 3.3Å; E227-K229 IonicContact OE2-NZ 2.74Å; E227-K229 PolarHBondContact OE2-NZ 3.04Å; E227-Y230 HydrophobicContact CB-CD2 4.1Å; E227-Y230 HydrophobicContact CB-CE2 4.44Å; E227-Y230 PolarHBondContact O-N 2.87Å; E227-Y230 VanDerWaalsContact O-N 3.1Å; E227-Y230 WeakPolarHBondContact OE2-CE2 3.41Å
228	K	87.3	Confident	89.6	Confident	153 Å²	153	58.5 Å²	58.5	67%	0.665	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-54.2	-24.6	-176.6	-71.2	-173.6	176.9	-175.5	0	115.3	Y230 L231 P236	K228-Y230 PolarHBondContact O-N 2.78Å; K228-L231 PolarHBondContact O-N 2.92Å; K228-P236 HydrophobicContact CG-CG 3.73Å
229	K	88.1	Confident	89.5	Confident	119 Å²	119	58.6 Å²	58.6	52%	0.517	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-63	-25	179.8	57.7	167.2	160.3	160.7	0	113.6	E227	E227-K229 HydrophobicContact CB-CG 4.17Å; E227-K229 PolarHBondContact O-N 3.16Å; E227-K229 WeakPolarHBondContact OE2-CE 3.3Å; E227-K229 IonicContact OE2-NZ 2.74Å; E227-K229 PolarHBondContact OE2-NZ 3.04Å
230	Y	87.5	Confident	89.4	Confident	28 Å²	28	59.4 Å²	59.4	11%	0.11	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-101.2	3.1	-177.5	-57.4	-57.3	0	0	0	113.5	K196 F197 A224 E227 K228	K196-Y230 HydrophobicContact CB-CD1 3.99Å; K196-Y230 HydrophobicContact CB-CE1 3.95Å; F197-Y230 HydrophobicContact CB-CD1 4.28Å; F197-Y230 HydrophobicContact CB-CE1 3.9Å; F197-Y230 HydrophobicContact CB-CE2 4.23Å; F197-Y230 AromaticContact CD2-CE2 3.8Å; F197-Y230 HydrophobicContact CD2-CE2 3.8Å; F197-Y230 AromaticContact CD2-CZ 3.74Å; F197-Y230 HydrophobicContact CG-CE2 4.31Å; A224-Y230 HydrophobicContact CB-CD2 3.9Å; A224-Y230 HydrophobicContact CB-CE2 4.08Å; A224-Y230 WeakPolarHBondContact O-CD2 3.27Å; E227-Y230 HydrophobicContact CB-CD2 4.1Å; E227-Y230 HydrophobicContact CB-CE2 4.44Å; E227-Y230 PolarHBondContact O-N 2.87Å; E227-Y230 VanDerWaalsContact O-N 3.1Å; E227-Y230 WeakPolarHBondContact OE2-CE2 3.41Å; K228-Y230 PolarHBondContact O-N 2.78Å
231	L	87.6	Confident	89.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	4.2	-171.7	-60.4	-172.4	0	0	0	114.2	I189 I225 K228 G233 A234 P236 V239	I189-L231 HydrophobicContact CG2-CD2 4Å; I225-L231 HydrophobicContact CB-CD2 4.34Å; I225-L231 WeakPolarHBondContact O-CD1 3.47Å; I225-L231 WeakPolarHBondContact O-CD2 3.39Å; K228-L231 PolarHBondContact O-N 2.92Å; L231-G233 PolarHBondContact O-N 3.04Å; L231-G233 VanDerWaalsContact O-N 3.12Å; L231-A234 HydrophobicContact CB-CB 4.25Å; L231-A234 VanDerWaalsContact O-CB 3.27Å; L231-A234 WeakPolarHBondContact O-CB 3.43Å; L231-A234 PolarHBondContact O-N 2.89Å; L231-P236 HydrophobicContact CD1-CB 3.89Å; L231-P236 HydrophobicContact CD1-CG 3.58Å; L231-V239 HydrophobicContact CD1-CG2 4.38Å; L231-V239 HydrophobicContact CD2-CB 4.29Å; L231-V239 HydrophobicContact CD2-CG1 3.88Å; L231-V239 HydrophobicContact CD2-CG2 4.17Å
232	G	79.6	Confident	89.3	Confident	35 Å²	35	59.2 Å²	59.2	36%	0.361	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	40.6	-179.7	0	0	0	0	0	113.3	K185 E192	K185-G232 PolarHBondContact NZ-O 2.86Å; E192-G232 VanDerWaalsContact OE2-CA 3.3Å; E192-G232 WeakPolarHBondContact OE2-CA 3.5Å; E192-G232 PolarHBondContact OE2-N 2.73Å; E192-G232 VanDerWaalsContact OE2-N 3.12Å
233	G	82.8	Confident	89.3	Confident	80 Å²	80	56.9 Å²	56.9	83%	0.825	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	3.3	-178.4	0	0	0	0	0	116.4	L231	L231-G233 PolarHBondContact O-N 3.04Å; L231-G233 VanDerWaalsContact O-N 3.12Å
234	A	86.7	Confident	89.3	Confident	10 Å²	10	54.3 Å²	54.3	8%	0.083	31%	0.306	C	S	.	.			trans	-74.7	153.7	173.2	0	0	0	0	0	112.2	I189 L231 V239 Y279	I189-A234 HydrophobicContact CD1-CB 3.91Å; L231-A234 HydrophobicContact CB-CB 4.25Å; L231-A234 VanDerWaalsContact O-CB 3.27Å; L231-A234 WeakPolarHBondContact O-CB 3.43Å; L231-A234 PolarHBondContact O-N 2.89Å; A234-V239 HydrophobicContact CB-CG2 4.1Å; A234-Y279 HydrophobicContact CB-CD2 4.47Å; A234-Y279 HydrophobicContact CB-CE2 3.91Å
235	D	87.1	Confident	89.5	Confident	90 Å²	90	54.3 Å²	54.3	48%	0.481	31%	0.306	S	S	.	.			trans	-75.4	125.1	175.1	-169	-15.6	0	0	0	109.8	S237 T238	D235-S237 PolarHBondContact O-N 3.32Å; D235-S237 VanDerWaalsContact O-N 3.08Å; D235-S237 PolarHBondContact OD1-N 3.47Å; D235-T238 HydrophobicContact CB-CG2 4.28Å; D235-T238 PolarHBondContact O-N 3.12Å; D235-T238 PolarHBondContact O-OG1 2.86Å
236	P	89.3	Confident	89.7	Confident	31 Å²	31	53.9 Å²	53.9	20%	0.201	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-49.5	-33.7	175.8	-26.5	30.6	0	0	0	114	K228 L231 T238 V239	K228-P236 HydrophobicContact CG-CG 3.73Å; L231-P236 HydrophobicContact CD1-CB 3.89Å; L231-P236 HydrophobicContact CD1-CG 3.58Å; P236-T238 PolarHBondContact O-N 3.05Å; P236-T238 VanDerWaalsContact O-N 3.08Å; P236-V239 PolarHBondContact O-N 2.79Å
237	S	88.4	Confident	89.9	Confident	93 Å²	93	47.1 Å²	47.1	65%	0.65	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-69.7	-7.3	-179.8	79.3	0	0	0	0	114.4	D235	D235-S237 PolarHBondContact O-N 3.32Å; D235-S237 VanDerWaalsContact O-N 3.08Å; D235-S237 PolarHBondContact OD1-N 3.47Å
238	T	89.8	Confident	90.2	Very high	37 Å²	37	43.8 Å²	43.8	23%	0.227	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-111	1.9	-178.9	62.4	0	0	0	0	113	D235 P236 Y279 K280	D235-T238 HydrophobicContact CB-CG2 4.28Å; D235-T238 PolarHBondContact O-N 3.12Å; D235-T238 PolarHBondContact O-OG1 2.86Å; P236-T238 PolarHBondContact O-N 3.05Å; P236-T238 VanDerWaalsContact O-N 3.08Å; T238-Y279 WeakPolarHBondContact O-CA 3.48Å; T238-Y279 WeakPolarHBondContact OG1-CE2 3.36Å; T238-K280 PolarHBondContact O-N 2.81Å
239	V	92.8	Very high	90.5	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.3	-176.4	-179.7	0	0	0	0	108.2	I189 I225 L231 A234 P236 I277 Y279	I189-V239 HydrophobicContact CD1-CG2 4.13Å; I189-V239 HydrophobicContact CG2-CG1 4.46Å; I225-V239 HydrophobicContact CB-CG1 4.31Å; L231-V239 HydrophobicContact CD1-CG2 4.38Å; L231-V239 HydrophobicContact CD2-CB 4.29Å; L231-V239 HydrophobicContact CD2-CG1 3.88Å; L231-V239 HydrophobicContact CD2-CG2 4.17Å; A234-V239 HydrophobicContact CB-CG2 4.1Å; P236-V239 PolarHBondContact O-N 2.79Å; V239-I277 HydrophobicContact CG1-CD1 4.31Å; V239-I277 HydrophobicContact CG1-CG2 3.65Å; V239-Y279 HydrophobicContact CG2-CD2 3.98Å
240	E	92.8	Very high	90.5	Very high	101 Å²	101	32 Å²	32	47%	0.472	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	161.5	176.3	-65.1	172.5	178.6	0	0	109.5	R278	E240-R278 HydrophobicContact CB-CB 4.25Å; E240-R278 PolarHBondContact N-O 2.8Å; E240-R278 PolarHBondContact O-N 2.86Å; E240-R278 IonicContact OE2-NH1 3.63Å
241	M	92.8	Very high	90.5	Very high	26 Å²	26	31.8 Å²	31.8	13%	0.128	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	137.6	166.7	-72.2	-60.4	-179.5	0	0	110.2	V221 E222 I225 Y243 P245 I277	V221-M241 HydrophobicContact CG1-CE 3.61Å; V221-M241 WeakPolarHBondContact O-CE 3.46Å; E222-M241 HydrophobicContact CG-CG 4.16Å; I225-M241 HydrophobicContact CB-CE 4.29Å; I225-M241 HydrophobicContact CD1-CE 3.99Å; I225-M241 HydrophobicContact CD1-CG 3.79Å; I225-M241 HydrophobicContact CD1-SD 4.26Å; I225-M241 HydrophobicContact CG1-CE 3.93Å; I225-M241 HydrophobicContact CG2-CE 3.38Å; I225-M241 HydrophobicContact CG2-SD 4.33Å; M241-Y243 PolarHBondContact O-N 2.72Å; M241-P245 HydrophobicContact CE-CG 4.15Å; M241-P245 HydrophobicContact SD-CG 4.26Å; M241-I277 HydrophobicContact CE-CD1 4.24Å; M241-I277 HydrophobicContact SD-CD1 3.72Å
242	C	93.6	Very high	90.5	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.02	24%	0.243	C	C	.	.	S	Bend	trans	-64	-36.1	173	-73.1	0	0	0	0	111.9	Y46 G276 I277 C283 S284 F356	Y46-C242 WeakPolarHBondContact CE2-O 3.36Å; Y46-C242 WeakPolarHBondContact OH-CA 3.3Å; Y46-C242 PolarHBondContact OH-O 2.64Å; C242-G276 PolarHBondContact N-O 3.35Å; C242-G276 VanDerWaalsContact SG-C 3.59Å; C242-I277 PolarHBondContact SG-O 3.44Å; C242-C283 WeakPolarHBondContact SG-CB 3.4Å; C242-C283 VanDerWaalsContact SG-SG 3.67Å; C242-S284 PolarHBondContact SG-O 3.41Å; C242-S284 VanDerWaalsContact SG-O 3.39Å; C242-F356 HydrophobicContact CB-CD2 3.87Å; C242-F356 HydrophobicContact CB-CE2 4.39Å; C242-F356 HydrophobicContact CB-CG 4.43Å
243	Y	92.9	Very high	91.1	Very high	20 Å²	20	36.8 Å²	36.8	8%	0.078	23%	0.234	C	C	.	.	S	Bend	trans	-159.9	158.3	178.5	54.6	-85.9	0	0	0	107.6	M241 I246 F257 A274 M275 N285 F356	M241-Y243 PolarHBondContact O-N 2.72Å; Y243-I246 HydrophobicContact CD2-CD1 3.8Å; Y243-I246 HydrophobicContact CD2-CG1 3.96Å; Y243-I246 HydrophobicContact CE2-CD1 3.67Å; Y243-I246 HydrophobicContact CE2-CG1 3.85Å; Y243-F257 HydrophobicContact CE1-CD1 4.33Å; Y243-F257 HydrophobicContact CE2-CD1 4.21Å; Y243-F257 AromaticContact CZ-CD1 3.79Å; Y243-A274 HydrophobicContact CE2-CB 4.33Å; Y243-A274 VanDerWaalsContact OH-C 3.28Å; Y243-A274 WeakPolarHBondContact OH-CB 3.38Å; Y243-M275 WeakPolarHBondContact OH-CA 3.3Å; Y243-M275 PolarHBondContact OH-N 3.28Å; Y243-M275 VanDerWaalsContact OH-N 3.11Å; Y243-N285 WeakPolarHBondContact CE1-OD1 3.19Å; Y243-N285 PolarHBondContact OH-OD1 3.42Å; Y243-F356 HydrophobicContact CD1-CD1 4.24Å; Y243-F356 HydrophobicContact CD1-CD2 4.08Å; Y243-F356 AromaticContact CD1-CE1 3.85Å; Y243-F356 HydrophobicContact CD1-CE1 3.85Å; Y243-F356 AromaticContact CD1-CE2 3.68Å; Y243-F356 HydrophobicContact CD1-CE2 3.68Å; Y243-F356 HydrophobicContact CD1-CG 4.35Å; Y243-F356 AromaticContact CD1-CZ 3.55Å; Y243-F356 HydrophobicContact CD1-CZ 3.55Å; Y243-F356 HydrophobicContact CE1-CD2 4.12Å; Y243-F356 AromaticContact CE1-CE1 3.98Å; Y243-F356 HydrophobicContact CE1-CE1 3.98Å; Y243-F356 AromaticContact CE1-CE2 3.31Å; Y243-F356 HydrophobicContact CE1-CE2 3.31Å; Y243-F356 AromaticContact CE1-CZ 3.22Å; Y243-F356 HydrophobicContact CE1-CZ 3.22Å
244	P	93.9	Very high	91.6	Very high	64 Å²	64	35.2 Å²	35.2	42%	0.416	21%	0.21	S	C	.	.			trans	-55.4	127.1	175.9	-26	35.3	0	0	0	110.7	E222 I246	E222-P244 WeakPolarHBondContact OE1-CA 3.4Å; P244-I246 WeakPolarHBondContact O-CG1 3.36Å; P244-I246 PolarHBondContact O-N 2.77Å
245	P	95.2	Very high	91.8	Very high	1 Å²	1	36 Å²	36	1%	0.006	21%	0.212	C	C	.	.			trans	-52.2	136.2	-177.5	-26.9	34.1	0	0	0	112.3	A218 V221 E222 M241 I247 S261	A218-P245 HydrophobicContact CB-CB 4.18Å; A218-P245 VanDerWaalsContact CB-O 3.3Å; A218-P245 WeakPolarHBondContact CB-O 3.32Å; V221-P245 HydrophobicContact CB-CB 4.29Å; V221-P245 HydrophobicContact CB-CG 3.95Å; V221-P245 HydrophobicContact CG1-CB 4.01Å; V221-P245 HydrophobicContact CG1-CG 3.51Å; E222-P245 HydrophobicContact CG-CG 4.09Å; E222-P245 WeakPolarHBondContact OE1-CD 3.41Å; M241-P245 HydrophobicContact CE-CG 4.15Å; M241-P245 HydrophobicContact SD-CG 4.26Å; P245-I247 HydrophobicContact CB-CD1 4.23Å; P245-S261 PolarHBondContact O-OG 3.12Å
246	I	95.9	Very high	92	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.3	-173.6	-50.8	171.1	0	0	0	108.4	Y243 P244 Q248 V259 S261 C273 A274	Y243-I246 HydrophobicContact CD2-CD1 3.8Å; Y243-I246 HydrophobicContact CD2-CG1 3.96Å; Y243-I246 HydrophobicContact CE2-CD1 3.67Å; Y243-I246 HydrophobicContact CE2-CG1 3.85Å; P244-I246 WeakPolarHBondContact O-CG1 3.36Å; P244-I246 PolarHBondContact O-N 2.77Å; I246-Q248 HydrophobicContact CG2-CG 4.05Å; I246-V259 HydrophobicContact CD1-CG2 4.3Å; I246-V259 WeakPolarHBondContact CD1-O 3.4Å; I246-V259 WeakPolarHBondContact CG1-O 3.29Å; I246-V259 HydrophobicContact CG2-CG2 3.89Å; I246-S261 WeakPolarHBondContact CA-OG 3.33Å; I246-C273 CarbonylContact O-C 3.54Å; I246-C273 WeakPolarHBondContact O-CA 3.37Å; I246-A274 HydrophobicContact CB-CB 4.24Å; I246-A274 PolarHBondContact N-O 2.84Å; I246-A274 PolarHBondContact O-N 3.39Å
247	I	96.1	Very high	92	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130	173.7	-55.5	88.9	0	0	0	108.2	F198 H214 L217 A218 P245 S261 I271 T272	F198-I247 HydrophobicContact CE2-CD1 4.34Å; F198-I247 HydrophobicContact CE2-CG1 3.68Å; F198-I247 HydrophobicContact CZ-CG1 4.02Å; H214-I247 HydrophobicContact CB-CB 4.31Å; L217-I247 HydrophobicContact CB-CD1 4.49Å; L217-I247 HydrophobicContact CD2-CG1 4.26Å; L217-I247 HydrophobicContact CD2-CG2 4.33Å; A218-I247 HydrophobicContact CB-CD1 3.7Å; P245-I247 HydrophobicContact CB-CD1 4.23Å; I247-S261 PolarHBondContact N-OG 3.03Å; I247-I271 HydrophobicContact CG2-CG2 3.91Å; I247-T272 WeakPolarHBondContact CA-O 3.27Å
248	Q	94.6	Very high	92	Very high	13 Å²	13	38.4 Å²	38.4	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.5	178.3	-54.5	170.8	-9.7	0	0	110.3	I246 Y253 S254 I271 T272	I246-Q248 HydrophobicContact CG2-CG 4.05Å; Q248-Y253 HydrophobicContact CB-CD1 3.95Å; Q248-Y253 HydrophobicContact CB-CE1 4.46Å; Q248-S254 PolarHBondContact NE2-O 3.38Å; Q248-S254 PolarHBondContact OE1-O 3.4Å; Q248-I271 CarbonylContact O-C 3.52Å; Q248-I271 WeakPolarHBondContact O-CA 3.24Å; Q248-T272 WeakPolarHBondContact CB-OG1 3.4Å; Q248-T272 PolarHBondContact N-O 3.21Å; Q248-T272 PolarHBondContact O-N 2.93Å
249	S	93.4	Very high	92	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.021	22%	0.218	C	C	.	.			trans	-156.8	178.4	174.8	70.7	0	0	0	0	110.1	H214 H267	H214-S249 PolarHBondContact CE1-OG 2.94Å; H214-S249 PolarHBondContact NE2-N 2.8Å; H214-S249 PolarHBondContact NE2-OG 3.44Å; S249-H267 WeakPolarHBondContact CB-O 3.06Å; S249-H267 PolarHBondContact OG-N 2.97Å
250	G	88.1	Confident	91.9	Very high	23 Å²	23	43 Å²	43	24%	0.237	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	42.1	168.1	0	0	0	0	0	114.9	N252 Y253	G250-N252 VanDerWaalsContact C-N 3.25Å; G250-N252 PolarHBondContact O-N 2.92Å; G250-Y253 PolarHBondContact N-OH 3.03Å
251	G	86.8	Confident	91.8	Very high	22 Å²	22	38.9 Å²	38.9	23%	0.227	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-12.8	176.3	0	0	0	0	0	115.7	K397	G251-K397 VanDerWaalsContact CA-O 3.3Å; G251-K397 WeakPolarHBondContact CA-O 3.3Å
252	N	89.1	Confident	91.8	Very high	96 Å²	96	39.8 Å²	39.8	51%	0.513	23%	0.233	S	C	.	.			trans	-107	81.2	-171.8	-73	30	0	0	0	111.9	G250	G250-N252 VanDerWaalsContact C-N 3.25Å; G250-N252 PolarHBondContact O-N 2.92Å
253	Y	91.8	Very high	91.7	Very high	45 Å²	45	47.1 Å²	47.1	18%	0.176	26%	0.264	C	S	.	.			trans	-111.1	136.8	-177	-52.4	-86.1	0	0	0	112.4	Q248 G250 A270 T272 A399	Q248-Y253 HydrophobicContact CB-CD1 3.95Å; Q248-Y253 HydrophobicContact CB-CE1 4.46Å; G250-Y253 PolarHBondContact N-OH 3.03Å; Y253-A270 WeakPolarHBondContact CE1-O 3.3Å; Y253-A270 PolarHBondContact OH-O 2.87Å; Y253-T272 HydrophobicContact CD1-CG2 4.04Å; Y253-T272 HydrophobicContact CE1-CG2 4.18Å; Y253-A399 HydrophobicContact CD1-CB 3.78Å; Y253-A399 HydrophobicContact CD2-CB 3.73Å; Y253-A399 HydrophobicContact CE1-CB 4.41Å; Y253-A399 HydrophobicContact CE2-CB 4.39Å; Y253-A399 HydrophobicContact CG-CB 3.38Å
254	S	92.6	Very high	91.7	Very high	47 Å²	47	50 Å²	50	33%	0.329	28%	0.281	S	S	.	.			trans	-136.3	97.4	169.6	-159.7	0	0	0	0	108.7	Q248 K256	Q248-S254 PolarHBondContact NE2-O 3.38Å; Q248-S254 PolarHBondContact OE1-O 3.4Å; S254-K256 PolarHBondContact O-N 2.74Å
255	L	91.9	Very high	91.6	Very high	25 Å²	25	51.3 Å²	51.3	13%	0.131	28%	0.281	C	S	.	.			trans	-77.1	63.9	-173.9	-49.3	-171.5	0	0	0	111.3	T345 A399 F401	L255-T345 HydrophobicContact CB-CG2 4.06Å; L255-T345 HydrophobicContact CD1-CG2 4.01Å; L255-A399 HydrophobicContact CD1-CB 4.43Å; L255-A399 HydrophobicContact CD2-CB 4.16Å; L255-F401 HydrophobicContact CB-CD1 4.22Å; L255-F401 HydrophobicContact CB-CD2 4.22Å; L255-F401 HydrophobicContact CB-CE1 4.2Å; L255-F401 HydrophobicContact CB-CE2 4.19Å; L255-F401 HydrophobicContact CB-CG 4.27Å; L255-F401 HydrophobicContact CB-CZ 4.19Å; L255-F401 HydrophobicContact CD1-CB 4.34Å; L255-F401 HydrophobicContact CD1-CD2 4.16Å; L255-F401 HydrophobicContact CD1-CG 4.25Å; L255-F401 HydrophobicContact CD2-CB 3.82Å; L255-F401 HydrophobicContact CD2-CD1 3.86Å; L255-F401 HydrophobicContact CD2-CD2 4.48Å; L255-F401 HydrophobicContact CD2-CG 3.82Å; L255-F401 HydrophobicContact CG-CG 4.33Å
256	K	90.1	Very high	91.4	Very high	130 Å²	130	51.8 Å²	51.8	57%	0.565	28%	0.284	S	S	*	.			trans	-144.3	147.5	-179.7	-63.2	179.3	-175	170.9	0	109.2	S254 S258 V259	S254-K256 PolarHBondContact O-N 2.74Å; K256-S258 VanDerWaalsContact C-N 3.3Å; K256-S258 PolarHBondContact O-N 3.24Å; K256-V259 WeakPolarHBondContact O-CG2 3.42Å
257	F	90.5	Very high	91.1	Very high	29 Å²	29	54.1 Å²	54.1	13%	0.127	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.5	179	-54.1	-77	0	0	0	114.3	Y243 A274 N285 V287 F350 F356 F401	Y243-F257 HydrophobicContact CE1-CD1 4.33Å; Y243-F257 HydrophobicContact CE2-CD1 4.21Å; Y243-F257 AromaticContact CZ-CD1 3.79Å; F257-A274 HydrophobicContact CD1-CB 4.27Å; F257-A274 HydrophobicContact CE1-CB 3.99Å; F257-N285 VanDerWaalsContact CE1-ND2 3.3Å; F257-N285 WeakPolarHBondContact CE1-ND2 3.3Å; F257-N285 VanDerWaalsContact CZ-ND2 3.31Å; F257-N285 WeakPolarHBondContact CZ-ND2 3.44Å; F257-V287 HydrophobicContact CE1-CG2 3.6Å; F257-V287 HydrophobicContact CZ-CG2 3.85Å; F257-F350 AromaticContact CD2-CE1 3.57Å; F257-F350 HydrophobicContact CD2-CE1 3.57Å; F257-F350 AromaticContact CD2-CZ 3.71Å; F257-F350 HydrophobicContact CD2-CZ 3.71Å; F257-F350 AromaticContact CE2-CE1 3.55Å; F257-F350 HydrophobicContact CE2-CE1 3.55Å; F257-F350 AromaticContact CE2-CZ 3.79Å; F257-F350 HydrophobicContact CE2-CZ 3.79Å; F257-F356 HydrophobicContact CB-CE1 3.62Å; F257-F356 HydrophobicContact CB-CZ 4.01Å; F257-F356 HydrophobicContact CD1-CE1 4.46Å; F257-F356 AromaticContact CD1-CZ 3.98Å; F257-F356 HydrophobicContact CD1-CZ 3.98Å; F257-F356 HydrophobicContact CD2-CE1 4.37Å; F257-F356 HydrophobicContact CD2-CZ 4.33Å; F257-F356 AromaticContact CG-CE1 3.91Å; F257-F356 HydrophobicContact CG-CE1 3.91Å; F257-F356 AromaticContact CG-CZ 3.84Å; F257-F356 HydrophobicContact CG-CZ 3.84Å; F257-F401 HydrophobicContact CE1-CE1 4.31Å; F257-F401 HydrophobicContact CE1-CZ 4.41Å; F257-F401 HydrophobicContact CE2-CZ 4.27Å; F257-F401 HydrophobicContact CZ-CE1 4.17Å; F257-F401 AromaticContact CZ-CZ 3.83Å; F257-F401 HydrophobicContact CZ-CZ 3.83Å
258	S	87.4	Confident	90.8	Very high	106 Å²	106	56.4 Å²	56.4	74%	0.741	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	4.2	-179.8	65.2	0	0	0	0	113.1	K256	K256-S258 VanDerWaalsContact C-N 3.3Å; K256-S258 PolarHBondContact O-N 3.24Å
259	V	89.5	Confident	90.5	Very high	41 Å²	41	56.3 Å²	56.3	25%	0.248	31%	0.307	C	S	.	.			trans	-104.7	161	178.7	-53.5	0	0	0	0	109.1	I246 K256	I246-V259 HydrophobicContact CD1-CG2 4.3Å; I246-V259 WeakPolarHBondContact CD1-O 3.4Å; I246-V259 WeakPolarHBondContact CG1-O 3.29Å; I246-V259 HydrophobicContact CG2-CG2 3.89Å; K256-V259 WeakPolarHBondContact O-CG2 3.42Å
260	V	90.4	Very high	90.4	Very high	103 Å²	103	56.2 Å²	56.2	62%	0.624	31%	0.307	S	S	*	.			trans	-111.2	157.7	173.8	-65.1	0	0	0	0	109.7	D262	V260-D262 PolarHBondContact O-N 2.93Å
261	S	92.1	Very high	90.7	Very high	13 Å²	13	55.1 Å²	55.1	9%	0.091	30%	0.295	C	S	.	.			trans	-56.2	131.3	171.4	-67.7	0	0	0	0	110.9	P245 I246 I247	P245-S261 PolarHBondContact O-OG 3.12Å; I246-S261 WeakPolarHBondContact CA-OG 3.33Å; I247-S261 PolarHBondContact N-OG 3.03Å
262	D	91.4	Very high	91.1	Very high	46 Å²	46	54.3 Å²	54.3	25%	0.246	29%	0.286	C	S	.	.			trans	-78.6	-175	-178	72.8	25.5	0	0	0	112.3	H214 S215 V260 N264	H214-D262 IonicContact CE1-OD1 2.87Å; H214-D262 IonicContact CG-OD1 2.84Å; H214-D262 IonicContact ND1-OD1 3.8Å; H214-D262 PolarHBondContact ND1-OD1 3.47Å; H214-D262 IonicContact ND1-OD2 3.46Å; S215-D262 VanDerWaalsContact CB-O 3.27Å; S215-D262 WeakPolarHBondContact CB-O 3.38Å; S215-D262 PolarHBondContact N-O 3.16Å; S215-D262 PolarHBondContact OG-O 3.27Å; V260-D262 PolarHBondContact O-N 2.93Å; D262-N264 VanDerWaalsContact CG-ND2 3.31Å; D262-N264 VanDerWaalsContact OD1-CB 3.24Å; D262-N264 WeakPolarHBondContact OD1-CB 3.49Å; D262-N264 PolarHBondContact OD1-N 3.41Å; D262-N264 PolarHBondContact OD2-ND2 3.33Å
263	K	92.1	Very high	91.4	Very high	156 Å²	156	49.8 Å²	49.8	68%	0.678	26%	0.262	S	S	*	.	S	Bend	trans	-99.5	7.4	179	-63.9	-176.6	-179.4	179.1	0	113.1	R213	R213-K263 WeakPolarHBondContact CD-O 3.43Å
264	N	92.2	Very high	91.6	Very high	80 Å²	80	47.9 Å²	47.9	43%	0.428	26%	0.255	S	S	.	.	S	Bend	trans	-72.4	156.4	176.2	-60.8	-36.8	0	0	0	109.7	R213 H214 D262	R213-N264 VanDerWaalsContact CA-O 3.27Å; R213-N264 WeakPolarHBondContact CA-O 3.28Å; H214-N264 PolarHBondContact N-O 3.1Å; D262-N264 VanDerWaalsContact CG-ND2 3.31Å; D262-N264 VanDerWaalsContact OD1-CB 3.24Å; D262-N264 WeakPolarHBondContact OD1-CB 3.49Å; D262-N264 PolarHBondContact OD1-N 3.41Å; D262-N264 PolarHBondContact OD2-ND2 3.33Å
265	H	91.7	Very high	91.8	Very high	92 Å²	92	45.8 Å²	45.8	43%	0.426	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-74.2	144	172.9	-69.1	-77.5	0	0	0	109.7	K211 V212 H267	K211-H265 PolarHBondContact O-CE1 3.21Å; K211-H265 PolarHBondContact O-ND1 2.9Å; K211-H265 VanDerWaalsContact O-ND1 3.12Å; V212-H265 CarbonylContact O-C 3.5Å; V212-H265 WeakPolarHBondContact O-CA 3.29Å; H265-H267 PolarHBondContact O-N 2.89Å
266	M	92	Very high	91.9	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.059	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-63.9	126.5	175	-168.2	173.4	78.4	0	0	109.1	V202 I205 V212 H214 L217 F268 I271	V202-M266 HydrophobicContact CG1-CE 4.04Å; V202-M266 HydrophobicContact CG1-SD 4.49Å; V202-M266 HydrophobicContact CG2-CE 4.5Å; V202-M266 HydrophobicContact CG2-SD 4.33Å; I205-M266 HydrophobicContact CB-CE 4Å; I205-M266 HydrophobicContact CD1-CE 4.37Å; I205-M266 HydrophobicContact CG2-CE 3.47Å; I205-M266 VanDerWaalsContact CG2-CE 3.47Å; V212-M266 PolarHBondContact O-N 2.92Å; H214-M266 WeakPolarHBondContact NE2-CA 3.43Å; L217-M266 HydrophobicContact CD2-SD 3.86Å; M266-F268 HydrophobicContact CE-CD1 4.45Å; M266-F268 HydrophobicContact CE-CE1 4.04Å; M266-I271 HydrophobicContact CE-CD1 4.17Å; M266-I271 HydrophobicContact CG-CD1 4.09Å; M266-I271 HydrophobicContact CG-CG1 4.33Å; M266-I271 HydrophobicContact CG-CG2 4.42Å; M266-I271 HydrophobicContact SD-CD1 4Å; M266-I271 HydrophobicContact SD-CG2 4.12Å
267	H	90.1	Very high	92.2	Very high	54 Å²	54	38.5 Å²	38.5	25%	0.25	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-99.4	140.3	175.7	175.1	-90.1	0	0	0	109.6	S249 H265 G269 I271 E395	S249-H267 WeakPolarHBondContact CB-O 3.06Å; S249-H267 PolarHBondContact OG-N 2.97Å; H265-H267 PolarHBondContact O-N 2.89Å; H267-G269 VanDerWaalsContact C-N 3.33Å; H267-G269 PolarHBondContact ND1-N 2.92Å; H267-G269 PolarHBondContact O-N 2.85Å; H267-I271 WeakPolarHBondContact O-CG1 3.49Å; H267-E395 IonicContact CD2-OE1 3.05Å; H267-E395 IonicContact CE1-OE1 3.16Å; H267-E395 WeakPolarHBondContact NE2-CG 3.2Å; H267-E395 IonicContact NE2-OE1 2.6Å; H267-E395 PolarHBondContact NE2-OE1 2.79Å
268	F	89.1	Confident	92.4	Very high	48 Å²	48	38.1 Å²	38.1	21%	0.211	21%	0.205	C	C	.	.	S	Bend	trans	-85.1	77.3	-178.2	-53.6	-24.4	0	0	0	110.2	I205 V206 D209 M266 V292	I205-F268 HydrophobicContact CG2-CE1 4.15Å; I205-F268 HydrophobicContact CG2-CZ 4.39Å; V206-F268 HydrophobicContact CG2-CD1 3.74Å; V206-F268 HydrophobicContact CG2-CE1 3.85Å; V206-F268 HydrophobicContact CG2-CG 4.29Å; V206-F268 HydrophobicContact CG2-CZ 4.45Å; D209-F268 VanDerWaalsContact OD1-CE2 3.28Å; D209-F268 WeakPolarHBondContact OD1-CE2 3.45Å; M266-F268 HydrophobicContact CE-CD1 4.45Å; M266-F268 HydrophobicContact CE-CE1 4.04Å; F268-V292 HydrophobicContact CB-CB 4.09Å; F268-V292 HydrophobicContact CB-CG1 4.12Å; F268-V292 HydrophobicContact CB-CG2 4Å
269	G	87.7	Confident	92.8	Very high	12 Å²	12	34.7 Å²	34.7	12%	0.124	18%	0.176	C	C	.	.	S	Bend	trans	-142.9	-120.5	173.9	0	0	0	0	0	109.2	H267 M291 V292	H267-G269 VanDerWaalsContact C-N 3.33Å; H267-G269 PolarHBondContact ND1-N 2.92Å; H267-G269 PolarHBondContact O-N 2.85Å; G269-M291 WeakPolarHBondContact O-CA 3.31Å; G269-V292 PolarHBondContact O-N 3.32Å
270	A	92.4	Very high	92.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	113.3	168.3	0	0	0	0	0	110.4	Y253 T289 M298 Y398	Y253-A270 WeakPolarHBondContact CE1-O 3.3Å; Y253-A270 PolarHBondContact OH-O 2.87Å; A270-T289 HydrophobicContact CB-CG2 4.14Å; A270-M298 HydrophobicContact CB-SD 4.42Å; A270-Y398 HydrophobicContact CB-CD2 4.48Å
271	I	94.8	Very high	93	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	103.8	179.6	-55.8	165.2	0	0	0	107.9	V202 I247 Q248 M266 H267 T289 L290 V292	V202-I271 HydrophobicContact CG1-CD1 4.06Å; I247-I271 HydrophobicContact CG2-CG2 3.91Å; Q248-I271 CarbonylContact O-C 3.52Å; Q248-I271 WeakPolarHBondContact O-CA 3.24Å; M266-I271 HydrophobicContact CE-CD1 4.17Å; M266-I271 HydrophobicContact CG-CD1 4.09Å; M266-I271 HydrophobicContact CG-CG1 4.33Å; M266-I271 HydrophobicContact CG-CG2 4.42Å; M266-I271 HydrophobicContact SD-CD1 4Å; M266-I271 HydrophobicContact SD-CG2 4.12Å; H267-I271 WeakPolarHBondContact O-CG1 3.49Å; I271-T289 CarbonylContact O-C 3.58Å; I271-T289 WeakPolarHBondContact O-CA 3.26Å; I271-L290 HydrophobicContact CB-CB 4.38Å; I271-L290 PolarHBondContact N-O 2.84Å; I271-L290 PolarHBondContact O-N 3.48Å; I271-V292 HydrophobicContact CD1-CG2 4.31Å
272	T	95.4	Very high	93.2	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.1	174.9	70.9	0	0	0	0	109.8	I247 Q248 Y253 T289 F401	I247-T272 WeakPolarHBondContact CA-O 3.27Å; Q248-T272 WeakPolarHBondContact CB-OG1 3.4Å; Q248-T272 PolarHBondContact N-O 3.21Å; Q248-T272 PolarHBondContact O-N 2.93Å; Y253-T272 HydrophobicContact CD1-CG2 4.04Å; Y253-T272 HydrophobicContact CE1-CG2 4.18Å; T272-T289 HydrophobicContact CG2-CG2 4.09Å; T272-F401 HydrophobicContact CG2-CB 3.97Å
273	C	95.1	Very high	93.4	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.5	176.7	177	0	0	0	0	109.4	F198 I246 V287 R288	F198-C273 HydrophobicContact CD1-CB 4.17Å; F198-C273 HydrophobicContact CE1-CB 3.32Å; F198-C273 WeakPolarHBondContact CE1-SG 3.4Å; F198-C273 HydrophobicContact CE2-CB 4.29Å; F198-C273 HydrophobicContact CZ-CB 3.4Å; F198-C273 VanDerWaalsContact CZ-CB 3.4Å; F198-C273 WeakPolarHBondContact CZ-SG 3.47Å; I246-C273 CarbonylContact O-C 3.54Å; I246-C273 WeakPolarHBondContact O-CA 3.37Å; C273-V287 CarbonylContact O-C 3.55Å; C273-V287 VanDerWaalsContact O-CA 3.26Å; C273-V287 WeakPolarHBondContact O-CA 3.48Å; C273-R288 PolarHBondContact N-O 2.84Å; C273-R288 PolarHBondContact O-N 3.03Å
274	A	96.3	Very high	93.6	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.033	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.9	172	0	0	0	0	0	109.8	Y243 I246 F257 L286 V287	Y243-A274 HydrophobicContact CE2-CB 4.33Å; Y243-A274 VanDerWaalsContact OH-C 3.28Å; Y243-A274 WeakPolarHBondContact OH-CB 3.38Å; I246-A274 HydrophobicContact CB-CB 4.24Å; I246-A274 PolarHBondContact N-O 2.84Å; I246-A274 PolarHBondContact O-N 3.39Å; F257-A274 HydrophobicContact CD1-CB 4.27Å; F257-A274 HydrophobicContact CE1-CB 3.99Å; A274-L286 WeakPolarHBondContact CA-O 3.36Å; A274-V287 HydrophobicContact CB-CB 4.47Å; A274-V287 HydrophobicContact CB-CG1 4.26Å; A274-V287 HydrophobicContact CB-CG2 3.75Å
275	M	95.3	Very high	93.9	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.015	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.7	179.2	68.3	-164.7	-25.2	0	0	110.5	T190 V193 Y194 F198 V221 Y243 N285 L286	T190-M275 HydrophobicContact CG2-CG 3.98Å; V193-M275 HydrophobicContact CG1-CE 3.85Å; Y194-M275 HydrophobicContact CD2-SD 3.88Å; Y194-M275 HydrophobicContact CG-SD 4.35Å; F198-M275 HydrophobicContact CB-CE 4.34Å; V221-M275 HydrophobicContact CB-CE 4.32Å; V221-M275 HydrophobicContact CG1-CE 3.13Å; V221-M275 HydrophobicContact CG2-CE 4.19Å; Y243-M275 WeakPolarHBondContact OH-CA 3.3Å; Y243-M275 PolarHBondContact OH-N 3.28Å; Y243-M275 VanDerWaalsContact OH-N 3.11Å; M275-N285 PolarHBondContact O-OD1 2.87Å; M275-L286 PolarHBondContact N-O 3.01Å; M275-L286 PolarHBondContact O-N 2.86Å; M275-L286 VanDerWaalsContact O-O 3.04Å
276	G	95	Very high	94.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.			trans	-149.7	140.7	179.6	0	0	0	0	0	110.5	C242 S284	C242-G276 PolarHBondContact N-O 3.35Å; C242-G276 VanDerWaalsContact SG-C 3.59Å; G276-S284 WeakPolarHBondContact CA-O 3.5Å
277	I	95.7	Very high	94.4	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.015	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	139	178.4	-64.8	-68.3	0	0	0	109.5	I189 T190 I225 V239 M241 C242 C283 S284	I189-I277 HydrophobicContact CB-CG2 4.22Å; I189-I277 HydrophobicContact CG2-CD1 4.48Å; I189-I277 HydrophobicContact CG2-CG1 4.09Å; I189-I277 HydrophobicContact CG2-CG2 4.03Å; T190-I277 WeakPolarHBondContact OG1-CB 3.43Å; T190-I277 WeakPolarHBondContact OG1-CG1 3.35Å; T190-I277 PolarHBondContact OG1-N 3.34Å; I225-I277 HydrophobicContact CG2-CD1 3.51Å; V239-I277 HydrophobicContact CG1-CD1 4.31Å; V239-I277 HydrophobicContact CG1-CG2 3.65Å; M241-I277 HydrophobicContact CE-CD1 4.24Å; M241-I277 HydrophobicContact SD-CD1 3.72Å; C242-I277 PolarHBondContact SG-O 3.44Å; I277-C283 CarbonylContact O-C 3.59Å; I277-S284 PolarHBondContact N-OG 2.98Å; I277-S284 PolarHBondContact O-N 2.97Å; I277-S284 PolarHBondContact O-OG 3.27Å
278	R	95.3	Very high	94.7	Very high	21 Å²	21	13.7 Å²	13.7	8%	0.079	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108	172.7	-169.1	-178.4	-165.1	-163.2	8	108.4	E240 S281 Y282 I354	E240-R278 HydrophobicContact CB-CB 4.25Å; E240-R278 PolarHBondContact N-O 2.8Å; E240-R278 PolarHBondContact O-N 2.86Å; E240-R278 IonicContact OE2-NH1 3.63Å; R278-S281 PolarHBondContact NE-O 2.81Å; R278-Y282 CarbonylContact C-O 3.49Å; R278-Y282 VanDerWaalsContact CA-O 3.31Å; R278-Y282 WeakPolarHBondContact CA-O 3.35Å; R278-I354 PolarHBondContact NH2-O 2.89Å
279	Y	94.7	Very high	95.1	Very high	33 Å²	33	11.4 Å²	11.4	13%	0.129	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.2	177.5	179.1	-115.3	0	0	0	110.2	L182 K185 I189 A234 T238 V239 S281 Y282	L182-Y279 HydrophobicContact CD2-CD1 3.94Å; L182-Y279 HydrophobicContact CD2-CE1 3.69Å; K185-Y279 HydrophobicContact CB-CD1 3.83Å; K185-Y279 HydrophobicContact CB-CE1 3.99Å; K185-Y279 HydrophobicContact CG-CD1 3.79Å; K185-Y279 HydrophobicContact CG-CE1 3.69Å; K185-Y279 HydrophobicContact CG-CG 4.32Å; I189-Y279 HydrophobicContact CD1-CD2 4.31Å; A234-Y279 HydrophobicContact CB-CD2 4.47Å; A234-Y279 HydrophobicContact CB-CE2 3.91Å; T238-Y279 WeakPolarHBondContact O-CA 3.48Å; T238-Y279 WeakPolarHBondContact OG1-CE2 3.36Å; V239-Y279 HydrophobicContact CG2-CD2 3.98Å; Y279-S281 PolarHBondContact O-N 2.82Å; Y279-Y282 PolarHBondContact N-O 3.37Å; Y279-Y282 PolarHBondContact O-N 3.2Å
280	K	91.9	Very high	95.4	Very high	108 Å²	108	10.9 Å²	10.9	47%	0.47	5%	0.052	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	48	-174.5	-63.8	-172.9	176.4	-177.9	0	112.2	L182 T238 Y282	L182-K280 HydrophobicContact CD2-CB 4.28Å; L182-K280 HydrophobicContact CD2-CD 3.92Å; T238-K280 PolarHBondContact O-N 2.81Å; K280-Y282 VanDerWaalsContact C-N 3.26Å; K280-Y282 WeakPolarHBondContact O-CD2 3.41Å; K280-Y282 PolarHBondContact O-N 2.93Å
281	S	92.6	Very high	95.5	Very high	37 Å²	37	10.8 Å²	10.8	26%	0.259	5%	0.052	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	-4.1	-178.6	-46.7	0	0	0	0	117.3	R278 Y279 I354	R278-S281 PolarHBondContact NE-O 2.81Å; Y279-S281 PolarHBondContact O-N 2.82Å; S281-I354 WeakPolarHBondContact O-CA 3.41Å
282	Y	95.9	Very high	95.3	Very high	9 Å²	9	11.2 Å²	11.2	4%	0.035	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.8	175.8	-75.2	-97.2	0	0	0	111.6	K175 E179 L182 M183 R278 Y279 K280 I354	K175-Y282 HydrophobicContact CD-CE1 4.36Å; E179-Y282 HydrophobicContact CB-CD1 4.38Å; E179-Y282 HydrophobicContact CB-CE1 3.64Å; E179-Y282 VanDerWaalsContact CD-OH 3.32Å; E179-Y282 HydrophobicContact CG-CE1 3.89Å; E179-Y282 VanDerWaalsContact CG-OH 3.27Å; E179-Y282 WeakPolarHBondContact CG-OH 3.38Å; E179-Y282 WeakPolarHBondContact OE1-CE1 3.38Å; E179-Y282 PolarHBondContact OE1-OH 2.93Å; L182-Y282 HydrophobicContact CB-CD2 3.97Å; L182-Y282 HydrophobicContact CB-CG 4.04Å; L182-Y282 HydrophobicContact CD1-CD2 3.47Å; L182-Y282 VanDerWaalsContact CD1-CD2 3.47Å; L182-Y282 HydrophobicContact CD1-CE2 3.55Å; L182-Y282 HydrophobicContact CD1-CG 4.33Å; L182-Y282 HydrophobicContact CG-CD2 4.36Å; M183-Y282 HydrophobicContact CG-CD1 3.81Å; M183-Y282 HydrophobicContact CG-CG 4.24Å; M183-Y282 HydrophobicContact SD-CD1 4.23Å; R278-Y282 CarbonylContact C-O 3.49Å; R278-Y282 VanDerWaalsContact CA-O 3.31Å; R278-Y282 WeakPolarHBondContact CA-O 3.35Å; Y279-Y282 PolarHBondContact N-O 3.37Å; Y279-Y282 PolarHBondContact O-N 3.2Å; K280-Y282 VanDerWaalsContact C-N 3.26Å; K280-Y282 WeakPolarHBondContact O-CD2 3.41Å; K280-Y282 PolarHBondContact O-N 2.93Å; Y282-I354 HydrophobicContact CD1-CG1 4.15Å; Y282-I354 HydrophobicContact CE1-CD1 4.38Å; Y282-I354 HydrophobicContact CE1-CG1 3.72Å; Y282-I354 HydrophobicContact CE2-CG1 4.12Å
283	C	96.6	Very high	95	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	150	-172.1	-59.9	0	0	0	0	113.3	Y46 M183 C242 I277 M352 G353 F356	Y46-C283 PolarHBondContact OH-SG 2.91Å; Y46-C283 VanDerWaalsContact OH-SG 3.34Å; M183-C283 WeakPolarHBondContact CE-O 3.36Å; C242-C283 WeakPolarHBondContact SG-CB 3.4Å; C242-C283 VanDerWaalsContact SG-SG 3.67Å; I277-C283 CarbonylContact O-C 3.59Å; C283-M352 HydrophobicContact CB-CG 3.82Å; C283-M352 HydrophobicContact CB-SD 3.86Å; C283-G353 WeakPolarHBondContact CB-O 3.27Å; C283-G353 PolarHBondContact N-O 3.13Å; C283-F356 HydrophobicContact CB-CB 4.49Å; C283-F356 HydrophobicContact CB-CD2 4.42Å
284	S	97.1	Very high	94.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.			trans	-126.7	168.1	162	57.7	0	0	0	0	110	A186 T190 C242 G276 I277	A186-S284 PolarHBondContact O-OG 3.38Å; T190-S284 PolarHBondContact OG1-OG 3.4Å; C242-S284 PolarHBondContact SG-O 3.41Å; C242-S284 VanDerWaalsContact SG-O 3.39Å; G276-S284 WeakPolarHBondContact CA-O 3.5Å; I277-S284 PolarHBondContact N-OG 2.98Å; I277-S284 PolarHBondContact O-N 2.97Å; I277-S284 PolarHBondContact O-OG 3.27Å
285	N	97.5	Very high	94.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.			trans	-147.3	141.6	176.3	-161.4	29.2	0	0	0	111.2	Y243 F257 M275 M352 F356 S378 T405	Y243-N285 WeakPolarHBondContact CE1-OD1 3.19Å; Y243-N285 PolarHBondContact OH-OD1 3.42Å; F257-N285 VanDerWaalsContact CE1-ND2 3.3Å; F257-N285 WeakPolarHBondContact CE1-ND2 3.3Å; F257-N285 VanDerWaalsContact CZ-ND2 3.31Å; F257-N285 WeakPolarHBondContact CZ-ND2 3.44Å; M275-N285 PolarHBondContact O-OD1 2.87Å; N285-M352 HydrophobicContact CB-CE 4.18Å; N285-M352 HydrophobicContact CB-SD 4.08Å; N285-F356 HydrophobicContact CB-CE2 3.9Å; N285-S378 WeakPolarHBondContact CB-OG 3.43Å; N285-S378 PolarHBondContact ND2-OG 2.86Å; N285-T405 PolarHBondContact N-OG1 2.95Å; N285-T405 PolarHBondContact O-N 3.26Å; N285-T405 PolarHBondContact O-OG1 3.01Å
286	L	96.9	Very high	94	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	135.1	174.3	179.1	71.6	0	0	0	108.9	T190 Y194 A274 M275 R288 T418 V420	T190-L286 HydrophobicContact CG2-CB 3.53Å; T190-L286 HydrophobicContact CG2-CD2 4.25Å; Y194-L286 VanDerWaalsContact CB-CD2 3.5Å; Y194-L286 HydrophobicContact CD1-CD2 4.2Å; Y194-L286 HydrophobicContact CD2-CD2 3.88Å; Y194-L286 HydrophobicContact CG-CD2 3.58Å; A274-L286 WeakPolarHBondContact CA-O 3.36Å; M275-L286 PolarHBondContact N-O 3.01Å; M275-L286 PolarHBondContact O-N 2.86Å; M275-L286 VanDerWaalsContact O-O 3.04Å; L286-R288 HydrophobicContact CD1-CG 4.27Å; L286-R288 VanDerWaalsContact CD1-CZ 3.47Å; L286-R288 HydrophobicContact CG-CG 4.34Å; L286-T418 HydrophobicContact CB-CG2 4.42Å; L286-T418 HydrophobicContact CD1-CG2 4.28Å; L286-V420 HydrophobicContact CD1-CB 4.13Å; L286-V420 HydrophobicContact CD1-CG2 4.17Å; L286-V420 HydrophobicContact CD2-CB 4.39Å; L286-V420 HydrophobicContact CD2-CG2 3.79Å
287	V	97.1	Very high	93.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.6	170.7	-174.4	0	0	0	0	109.5	F257 C273 A274 F401 G403	F257-V287 HydrophobicContact CE1-CG2 3.6Å; F257-V287 HydrophobicContact CZ-CG2 3.85Å; C273-V287 CarbonylContact O-C 3.55Å; C273-V287 VanDerWaalsContact O-CA 3.26Å; C273-V287 WeakPolarHBondContact O-CA 3.48Å; A274-V287 HydrophobicContact CB-CB 4.47Å; A274-V287 HydrophobicContact CB-CG1 4.26Å; A274-V287 HydrophobicContact CB-CG2 3.75Å; V287-F401 HydrophobicContact CG1-CB 3.95Å; V287-F401 HydrophobicContact CG1-CD1 3.33Å; V287-F401 HydrophobicContact CG1-CD2 4.34Å; V287-F401 HydrophobicContact CG1-CE1 3.83Å; V287-F401 HydrophobicContact CG1-CG 3.61Å; V287-F401 HydrophobicContact CG2-CE1 4.26Å; V287-G403 PolarHBondContact N-O 2.92Å; V287-G403 PolarHBondContact O-N 2.89Å
288	R	96.5	Very high	93.5	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154	175.4	-66.5	-67.4	-179.9	-96.9	5.9	110.1	Y194 C273 L286 F401 G403 D404 V420	Y194-R288 HydrophobicContact CE1-CG 4.14Å; Y194-R288 HydrophobicContact CE2-CB 3.69Å; Y194-R288 HydrophobicContact CE2-CG 3.93Å; Y194-R288 WeakPolarHBondContact OH-CB 3.39Å; C273-R288 PolarHBondContact N-O 2.84Å; C273-R288 PolarHBondContact O-N 3.03Å; L286-R288 HydrophobicContact CD1-CG 4.27Å; L286-R288 VanDerWaalsContact CD1-CZ 3.47Å; L286-R288 HydrophobicContact CG-CG 4.34Å; R288-F401 CarbonylContact C-O 3.58Å; R288-G403 PolarHBondContact NH1-O 3.3Å; R288-D404 IonicContact CZ-OD1 3.18Å; R288-D404 IonicContact CZ-OD2 3.73Å; R288-D404 IonicContact NH1-OD1 3.15Å; R288-D404 PolarHBondContact NH1-OD1 3.4Å; R288-D404 IonicContact NH1-OD2 2.73Å; R288-D404 PolarHBondContact NH1-OD2 2.78Å; R288-D404 IonicContact NH2-OD1 3.16Å; R288-D404 PolarHBondContact NH2-OD1 3.09Å; R288-D404 IonicContact NH2-OD2 2.87Å; R288-D404 PolarHBondContact NH2-OD2 2.88Å; R288-D404 VanDerWaalsContact NH2-OD2 3.11Å; R288-V420 HydrophobicContact CG-CG1 4.33Å; R288-V420 PolarHBondContact NH2-O 3.45Å
289	T	96.5	Very high	93.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.6	171.6	-55.9	0	0	0	0	107.6	A270 I271 T272 M291 L400 F401 V427	A270-T289 HydrophobicContact CB-CG2 4.14Å; I271-T289 CarbonylContact O-C 3.58Å; I271-T289 WeakPolarHBondContact O-CA 3.26Å; T272-T289 HydrophobicContact CG2-CG2 4.09Å; T289-M291 HydrophobicContact CG2-CG 4.21Å; T289-L400 HydrophobicContact CG2-CD2 4.01Å; T289-F401 PolarHBondContact N-O 3.14Å; T289-F401 PolarHBondContact OG1-N 3.25Å; T289-F401 PolarHBondContact OG1-O 3.4Å; T289-V427 WeakPolarHBondContact O-CB 3.4Å
290	L	95.3	Very high	93.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	141.2	168	-62.8	175.8	0	0	0	108.2	Y194 F198 V202 I271 V427	Y194-L290 WeakPolarHBondContact OH-CD2 3.4Å; F198-L290 HydrophobicContact CE1-CD1 4.03Å; V202-L290 HydrophobicContact CB-CD1 3.97Å; V202-L290 HydrophobicContact CG1-CD1 3.75Å; V202-L290 HydrophobicContact CG2-CD1 4.25Å; I271-L290 HydrophobicContact CB-CB 4.38Å; I271-L290 PolarHBondContact N-O 2.84Å; I271-L290 PolarHBondContact O-N 3.48Å; L290-V427 WeakPolarHBondContact CA-O 3.46Å; L290-V427 HydrophobicContact CD2-CB 4.12Å; L290-V427 HydrophobicContact CD2-CG1 4.37Å
291	M	93.7	Very high	93.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118.7	-176	-62.6	173.5	-73.1	0	0	109.3	G269 T289 P294 M298 Y302 L400 V427 A428 I429	G269-M291 WeakPolarHBondContact O-CA 3.31Å; T289-M291 HydrophobicContact CG2-CG 4.21Å; M291-P294 HydrophobicContact CB-CB 3.88Å; M291-P294 HydrophobicContact CB-CG 3.94Å; M291-P294 HydrophobicContact SD-CB 4.24Å; M291-M298 HydrophobicContact CB-SD 4.37Å; M291-M298 HydrophobicContact CG-SD 4.1Å; M291-M298 HydrophobicContact SD-CG 3.98Å; M291-M298 HydrophobicContact SD-SD 4.07Å; M291-Y302 HydrophobicContact CE-CD1 3.84Å; M291-Y302 HydrophobicContact CE-CD2 4.03Å; M291-Y302 HydrophobicContact CE-CE1 4.19Å; M291-Y302 HydrophobicContact CE-CE2 4.38Å; M291-Y302 HydrophobicContact CE-CG 3.73Å; M291-Y302 HydrophobicContact SD-CD2 4.22Å; M291-Y302 HydrophobicContact SD-CG 4.16Å; M291-L400 HydrophobicContact SD-CD2 4.12Å; M291-V427 HydrophobicContact CE-CG2 3.66Å; M291-V427 PolarHBondContact N-O 3.4Å; M291-A428 CarbonylContact O-C 3.57Å; M291-A428 VanDerWaalsContact O-CA 3.28Å; M291-A428 WeakPolarHBondContact O-CA 3.38Å; M291-I429 PolarHBondContact O-N 3.08Å
292	V	91.2	Very high	93.6	Very high	9 Å²	9	21.7 Å²	21.7	6%	0.055	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.5	173.2	-170.8	0	0	0	0	108.6	V206 F268 G269 I271 I429 L431	V206-V292 HydrophobicContact CG1-CG1 4.27Å; V206-V292 HydrophobicContact CG1-CG2 4.38Å; V206-V292 HydrophobicContact CG2-CG2 4.1Å; F268-V292 HydrophobicContact CB-CB 4.09Å; F268-V292 HydrophobicContact CB-CG1 4.12Å; F268-V292 HydrophobicContact CB-CG2 4Å; G269-V292 PolarHBondContact O-N 3.32Å; I271-V292 HydrophobicContact CD1-CG2 4.31Å; V292-I429 CarbonylContact C-O 3.55Å; V292-I429 WeakPolarHBondContact CA-O 3.34Å; V292-I429 HydrophobicContact CG2-CB 4.41Å; V292-I429 HydrophobicContact CG2-CD1 4.46Å; V292-L431 HydrophobicContact CG1-CD1 3.9Å; V292-L431 HydrophobicContact CG1-CG 4.03Å
293	D	88.6	Confident	93.5	Very high	75 Å²	75	24.3 Å²	24.3	40%	0.401	13%	0.125	S	C	.	.	S	Bend	trans	40.2	58.4	-177.5	-62.2	-47	0	0	0	114.1	S295 I429 F430 L431	D293-S295 PolarHBondContact O-N 3.13Å; D293-I429 PolarHBondContact N-O 3.09Å; D293-F430 VanDerWaalsContact OD1-CA 3.29Å; D293-F430 WeakPolarHBondContact OD1-CA 3.47Å; D293-L431 PolarHBondContact OD1-N 3.23Å; D293-L431 VanDerWaalsContact OD1-N 3.1Å; D293-L431 WeakPolarHBondContact OD2-CB 3.47Å
294	P	89.1	Confident	93.4	Very high	7 Å²	7	24.7 Å²	24.7	5%	0.045	13%	0.126	C	C	.	.			trans	-67.4	130.2	-175.2	25.5	-31.8	0	0	0	112.1	M291 M298 Q299 A428	M291-P294 HydrophobicContact CB-CB 3.88Å; M291-P294 HydrophobicContact CB-CG 3.94Å; M291-P294 HydrophobicContact SD-CB 4.24Å; P294-M298 HydrophobicContact CB-CB 4.25Å; P294-M298 HydrophobicContact CB-CG 4.21Å; P294-M298 HydrophobicContact CB-SD 3.86Å; P294-Q299 HydrophobicContact CB-CG 3.88Å; P294-Q299 HydrophobicContact CG-CG 3.92Å; P294-Q299 PolarHBondContact O-NE2 3.15Å; P294-A428 HydrophobicContact CG-CB 3.99Å
295	S	89.1	Confident	93.4	Very high	25 Å²	25	24.8 Å²	24.8	18%	0.175	13%	0.127	C	C	.	.			trans	-61.9	157.9	170	68.8	0	0	0	0	111.9	D293 E297 M298 Q299	D293-S295 PolarHBondContact O-N 3.13Å; S295-E297 PolarHBondContact O-N 3.13Å; S295-M298 WeakPolarHBondContact O-CA 2.99Å; S295-M298 WeakPolarHBondContact O-CB 3.25Å; S295-M298 PolarHBondContact O-N 3.03Å; S295-Q299 WeakPolarHBondContact O-CG 3.38Å; S295-Q299 PolarHBondContact O-N 2.95Å
296	Q	88.6	Confident	93.2	Very high	120 Å²	120	25.6 Å²	25.6	56%	0.561	13%	0.131	S	C	*	.	H	α-helix	trans	-55.5	-39.6	179.7	-170.1	62.7	43.9	0	0	112.1	M298 Q299 D300	Q296-M298 VanDerWaalsContact C-N 3.32Å; Q296-M298 PolarHBondContact O-N 3.35Å; Q296-Q299 PolarHBondContact O-N 2.95Å; Q296-D300 PolarHBondContact NE2-OD1 2.81Å; Q296-D300 WeakPolarHBondContact O-CB 3.3Å; Q296-D300 PolarHBondContact O-N 3.37Å
297	E	90	Very high	93.1	Very high	79 Å²	79	29.8 Å²	29.8	37%	0.369	15%	0.151	S	C	.	.	H	α-helix	trans	-63.9	-36.7	177.2	-171.6	172.8	-179.9	0	0	111.9	S295 N301 K389	S295-E297 PolarHBondContact O-N 3.13Å; E297-N301 WeakPolarHBondContact O-CB 3.1Å; E297-N301 VanDerWaalsContact O-CG 3.23Å; E297-N301 PolarHBondContact O-N 2.85Å; E297-N301 VanDerWaalsContact O-N 3.11Å; E297-N301 PolarHBondContact O-ND2 3.36Å; E297-N301 VanDerWaalsContact O-ND2 3.11Å; E297-K389 IonicContact OE1-NZ 2.84Å; E297-K389 PolarHBondContact OE1-NZ 3.45Å; E297-K389 IonicContact OE2-NZ 3.8Å; E297-K389 PolarHBondContact OE2-NZ 3.26Å
298	M	90.2	Very high	93	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-67.9	-43.5	174.9	-173.6	178.7	-59.8	0	0	111.3	A270 M291 P294 S295 Q296 N301 Y302 Y398 L400	A270-M298 HydrophobicContact CB-SD 4.42Å; M291-M298 HydrophobicContact CB-SD 4.37Å; M291-M298 HydrophobicContact CG-SD 4.1Å; M291-M298 HydrophobicContact SD-CG 3.98Å; M291-M298 HydrophobicContact SD-SD 4.07Å; P294-M298 HydrophobicContact CB-CB 4.25Å; P294-M298 HydrophobicContact CB-CG 4.21Å; P294-M298 HydrophobicContact CB-SD 3.86Å; S295-M298 WeakPolarHBondContact O-CA 2.99Å; S295-M298 WeakPolarHBondContact O-CB 3.25Å; S295-M298 PolarHBondContact O-N 3.03Å; Q296-M298 VanDerWaalsContact C-N 3.32Å; Q296-M298 PolarHBondContact O-N 3.35Å; M298-N301 PolarHBondContact O-N 3.15Å; M298-Y302 PolarHBondContact O-N 3.45Å; M298-Y398 HydrophobicContact CB-CE2 4.27Å; M298-Y398 HydrophobicContact CE-CD1 4.04Å; M298-Y398 HydrophobicContact CE-CD2 3.86Å; M298-Y398 HydrophobicContact CE-CE1 4.29Å; M298-Y398 HydrophobicContact CE-CE2 4.13Å; M298-Y398 HydrophobicContact CE-CG 3.81Å; M298-Y398 HydrophobicContact CG-CD2 4.15Å; M298-Y398 HydrophobicContact CG-CE2 3.71Å; M298-Y398 HydrophobicContact SD-CD2 4.37Å; M298-Y398 HydrophobicContact SD-CE2 4.49Å; M298-L400 HydrophobicContact CG-CD2 4.3Å
299	Q	92	Very high	92.9	Very high	38 Å²	38	29.8 Å²	29.8	18%	0.178	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-46.2	176	-68	-172.4	44.6	0	0	111.7	P294 S295 Q296 N301 Y302 N303 I424	P294-Q299 HydrophobicContact CB-CG 3.88Å; P294-Q299 HydrophobicContact CG-CG 3.92Å; P294-Q299 PolarHBondContact O-NE2 3.15Å; S295-Q299 WeakPolarHBondContact O-CG 3.38Å; S295-Q299 PolarHBondContact O-N 2.95Å; Q296-Q299 PolarHBondContact O-N 2.95Å; Q299-N301 VanDerWaalsContact C-N 3.32Å; Q299-N301 PolarHBondContact O-N 2.87Å; Q299-Y302 PolarHBondContact O-N 3.4Å; Q299-N303 PolarHBondContact O-N 3.44Å; Q299-I424 HydrophobicContact CB-CD1 3.7Å; Q299-I424 HydrophobicContact CG-CD1 4.13Å; Q299-I424 HydrophobicContact CG-CG2 4.41Å
300	D	93.4	Very high	92.8	Very high	71 Å²	71	34.7 Å²	34.7	38%	0.38	17%	0.174	S	C	.	.	H	α-helix	trans	-64.1	-36.9	178.8	-67.3	-13.8	0	0	0	112.2	Q296 F304	Q296-D300 PolarHBondContact NE2-OD1 2.81Å; Q296-D300 WeakPolarHBondContact O-CB 3.3Å; Q296-D300 PolarHBondContact O-N 3.37Å; D300-F304 WeakPolarHBondContact O-CB 3.24Å; D300-F304 PolarHBondContact O-N 3Å
301	N	94.1	Very high	92.7	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.064	18%	0.182	C	C	.	.	H	α-helix	trans	-71.7	-34	175.8	-72.2	-27.7	0	0	0	112.3	E297 M298 Q299 L305 K337 L383 L386 Y398 L400	E297-N301 WeakPolarHBondContact O-CB 3.1Å; E297-N301 VanDerWaalsContact O-CG 3.23Å; E297-N301 PolarHBondContact O-N 2.85Å; E297-N301 VanDerWaalsContact O-N 3.11Å; E297-N301 PolarHBondContact O-ND2 3.36Å; E297-N301 VanDerWaalsContact O-ND2 3.11Å; M298-N301 PolarHBondContact O-N 3.15Å; Q299-N301 VanDerWaalsContact C-N 3.32Å; Q299-N301 PolarHBondContact O-N 2.87Å; N301-L305 PolarHBondContact O-N 3.08Å; N301-K337 PolarHBondContact OD1-NZ 2.93Å; N301-L383 HydrophobicContact CB-CD1 4.49Å; N301-L386 HydrophobicContact CB-CD1 4.37Å; N301-Y398 PolarHBondContact ND2-OH 3.41Å; N301-L400 HydrophobicContact CB-CD1 3.84Å
302	Y	95.3	Very high	92.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-70.2	-44.4	174.6	-173.5	-97.4	0	0	0	112.1	M291 M298 Q299 F304 L305 L306 L400 L402 K422 I424 V427	M291-Y302 HydrophobicContact CE-CD1 3.84Å; M291-Y302 HydrophobicContact CE-CD2 4.03Å; M291-Y302 HydrophobicContact CE-CE1 4.19Å; M291-Y302 HydrophobicContact CE-CE2 4.38Å; M291-Y302 HydrophobicContact CE-CG 3.73Å; M291-Y302 HydrophobicContact SD-CD2 4.22Å; M291-Y302 HydrophobicContact SD-CG 4.16Å; M298-Y302 PolarHBondContact O-N 3.45Å; Q299-Y302 PolarHBondContact O-N 3.4Å; Y302-F304 VanDerWaalsContact C-N 3.29Å; Y302-F304 PolarHBondContact O-N 2.75Å; Y302-L305 WeakPolarHBondContact O-CB 3.36Å; Y302-L305 PolarHBondContact O-N 2.69Å; Y302-L305 VanDerWaalsContact O-N 3.09Å; Y302-L306 HydrophobicContact CD1-CD1 4.04Å; Y302-L306 HydrophobicContact CD1-CG 4.4Å; Y302-L306 HydrophobicContact CE1-CD1 3.8Å; Y302-L306 HydrophobicContact CE1-CD2 4.44Å; Y302-L306 HydrophobicContact CE1-CG 4.14Å; Y302-L306 PolarHBondContact O-N 3.33Å; Y302-L400 HydrophobicContact CD2-CD1 4.42Å; Y302-L400 HydrophobicContact CD2-CD2 4.22Å; Y302-L402 HydrophobicContact CE2-CD1 4.33Å; Y302-K422 VanDerWaalsContact CE1-O 3.25Å; Y302-K422 WeakPolarHBondContact CE1-O 3.18Å; Y302-K422 PolarHBondContact OH-O 3.02Å; Y302-K422 VanDerWaalsContact OH-O 3.11Å; Y302-I424 HydrophobicContact CD1-CD1 4.46Å; Y302-I424 HydrophobicContact CD1-CG1 3.71Å; Y302-I424 HydrophobicContact CE1-CG1 4.27Å; Y302-V427 HydrophobicContact CE1-CG2 3.81Å
303	N	95.2	Very high	92.8	Very high	63 Å²	63	36.8 Å²	36.8	34%	0.337	18%	0.183	S	C	.	.	H	α-helix	trans	-59.8	-40.2	173	-78.3	-27.1	0	0	0	111.9	Q299 L305 L306 Q307 I424	Q299-N303 PolarHBondContact O-N 3.44Å; N303-L305 VanDerWaalsContact C-N 3.34Å; N303-L305 PolarHBondContact O-N 3.25Å; N303-L306 WeakPolarHBondContact O-CB 3.37Å; N303-L306 PolarHBondContact O-N 3.37Å; N303-Q307 WeakPolarHBondContact O-CG 3.48Å; N303-Q307 PolarHBondContact O-N 3.16Å; N303-Q307 VanDerWaalsContact O-N 3.07Å; N303-I424 VanDerWaalsContact CG-CD1 3.43Å; N303-I424 WeakPolarHBondContact ND2-CD1 3.36Å; N303-I424 WeakPolarHBondContact OD1-CD1 3.39Å; N303-I424 WeakPolarHBondContact OD1-CG1 3.44Å
304	F	95	Very high	93	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.035	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-40.6	173.4	-178.9	-111	0	0	0	112.1	D300 Y302 L306 Q307 V308 Y332 V333 E336 K337 L340	D300-F304 WeakPolarHBondContact O-CB 3.24Å; D300-F304 PolarHBondContact O-N 3Å; Y302-F304 VanDerWaalsContact C-N 3.29Å; Y302-F304 PolarHBondContact O-N 2.75Å; F304-L306 VanDerWaalsContact C-N 3.29Å; F304-L306 PolarHBondContact O-N 2.79Å; F304-Q307 WeakPolarHBondContact O-CB 3.31Å; F304-Q307 PolarHBondContact O-N 3.22Å; F304-V308 HydrophobicContact CD1-CG2 4.19Å; F304-V308 HydrophobicContact CD2-CG2 4.5Å; F304-V308 HydrophobicContact CE1-CG2 3.8Å; F304-V308 HydrophobicContact CE2-CG2 4.12Å; F304-V308 HydrophobicContact CZ-CG2 3.77Å; F304-V308 VanDerWaalsContact O-CG2 3.28Å; F304-V308 WeakPolarHBondContact O-CG2 3.37Å; F304-V308 PolarHBondContact O-N 3.02Å; F304-Y332 HydrophobicContact CE2-CE1 4.42Å; F304-V333 HydrophobicContact CE1-CG1 4.16Å; F304-V333 HydrophobicContact CZ-CB 4.44Å; F304-V333 HydrophobicContact CZ-CG1 4.14Å; F304-V333 HydrophobicContact CZ-CG2 4.31Å; F304-E336 HydrophobicContact CE2-CB 3.71Å; F304-E336 HydrophobicContact CZ-CB 4.26Å; F304-K337 HydrophobicContact CD1-CD 4.05Å; F304-K337 HydrophobicContact CD2-CD 4.18Å; F304-K337 HydrophobicContact CD2-CG 4.39Å; F304-K337 HydrophobicContact CE1-CB 3.96Å; F304-K337 HydrophobicContact CE1-CD 4.29Å; F304-K337 HydrophobicContact CE1-CG 4.43Å; F304-K337 HydrophobicContact CE2-CB 4.28Å; F304-K337 HydrophobicContact CE2-CD 4.43Å; F304-K337 HydrophobicContact CE2-CG 4.2Å; F304-K337 HydrophobicContact CG-CD 3.97Å; F304-K337 HydrophobicContact CZ-CB 3.8Å; F304-K337 HydrophobicContact CZ-CD 4.47Å; F304-K337 HydrophobicContact CZ-CG 4.2Å; F304-L340 HydrophobicContact CD1-CD1 3.63Å; F304-L340 HydrophobicContact CE1-CB 4.46Å; F304-L340 HydrophobicContact CE1-CD1 3.85Å
305	L	95.1	Very high	93.1	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-36.1	176	-172	61.1	0	0	0	112.3	N301 Y302 N303 V308 E309 L344 L381 L383 L400 L402	N301-L305 PolarHBondContact O-N 3.08Å; Y302-L305 WeakPolarHBondContact O-CB 3.36Å; Y302-L305 PolarHBondContact O-N 2.69Å; Y302-L305 VanDerWaalsContact O-N 3.09Å; N303-L305 VanDerWaalsContact C-N 3.34Å; N303-L305 PolarHBondContact O-N 3.25Å; L305-V308 PolarHBondContact O-N 3.42Å; L305-E309 PolarHBondContact O-N 2.66Å; L305-E309 VanDerWaalsContact O-N 3.13Å; L305-L344 HydrophobicContact CD1-CD1 4.45Å; L305-L381 HydrophobicContact CD1-CB 3.87Å; L305-L383 HydrophobicContact CD1-CG 4.32Å; L305-L400 HydrophobicContact CD2-CB 3.83Å; L305-L402 HydrophobicContact CD2-CB 4.12Å; L305-L402 HydrophobicContact CG-CB 4.5Å
306	L	95.1	Very high	93.3	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.089	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-44.2	172.2	-68.3	171.5	0	0	0	111.9	Y302 N303 F304 V308 E309 E310 L402 K422	Y302-L306 HydrophobicContact CD1-CD1 4.04Å; Y302-L306 HydrophobicContact CD1-CG 4.4Å; Y302-L306 HydrophobicContact CE1-CD1 3.8Å; Y302-L306 HydrophobicContact CE1-CD2 4.44Å; Y302-L306 HydrophobicContact CE1-CG 4.14Å; Y302-L306 PolarHBondContact O-N 3.33Å; N303-L306 WeakPolarHBondContact O-CB 3.37Å; N303-L306 PolarHBondContact O-N 3.37Å; F304-L306 VanDerWaalsContact C-N 3.29Å; F304-L306 PolarHBondContact O-N 2.79Å; L306-V308 VanDerWaalsContact C-N 3.33Å; L306-V308 PolarHBondContact O-N 3.43Å; L306-E309 WeakPolarHBondContact O-CB 3.49Å; L306-E309 PolarHBondContact O-N 3.36Å; L306-E310 PolarHBondContact O-N 2.82Å; L306-L402 HydrophobicContact CD2-CD1 3.42Å; L306-L402 VanDerWaalsContact CD2-CD1 3.42Å; L306-L402 HydrophobicContact CG-CD1 4.42Å; L306-K422 HydrophobicContact CD2-CB 4.15Å; L306-K422 HydrophobicContact CD2-CD 3.67Å; L306-K422 HydrophobicContact CD2-CG 3.74Å
307	Q	94.6	Very high	93.5	Very high	89 Å²	89	38.3 Å²	38.3	42%	0.416	18%	0.182	S	C	.	.	H	α-helix	trans	-62.4	-40.2	176.9	-69.4	172	-4	0	0	112.2	N303 F304 E309 E310 E311	N303-Q307 WeakPolarHBondContact O-CG 3.48Å; N303-Q307 PolarHBondContact O-N 3.16Å; N303-Q307 VanDerWaalsContact O-N 3.07Å; F304-Q307 WeakPolarHBondContact O-CB 3.31Å; F304-Q307 PolarHBondContact O-N 3.22Å; Q307-E309 VanDerWaalsContact C-N 3.29Å; Q307-E309 PolarHBondContact O-N 2.81Å; Q307-E310 PolarHBondContact O-N 3.13Å; Q307-E311 PolarHBondContact O-N 3.45Å
308	V	94.9	Very high	93.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-36.7	176.6	172.4	0	0	0	0	111.5	F304 L305 L306 L312 V329 Y332 V333 L381	F304-V308 HydrophobicContact CD1-CG2 4.19Å; F304-V308 HydrophobicContact CD2-CG2 4.5Å; F304-V308 HydrophobicContact CE1-CG2 3.8Å; F304-V308 HydrophobicContact CE2-CG2 4.12Å; F304-V308 HydrophobicContact CZ-CG2 3.77Å; F304-V308 VanDerWaalsContact O-CG2 3.28Å; F304-V308 WeakPolarHBondContact O-CG2 3.37Å; F304-V308 PolarHBondContact O-N 3.02Å; L305-V308 PolarHBondContact O-N 3.42Å; L306-V308 VanDerWaalsContact C-N 3.33Å; L306-V308 PolarHBondContact O-N 3.43Å; V308-L312 PolarHBondContact O-N 3.42Å; V308-V329 HydrophobicContact CG1-CG1 3.62Å; V308-Y332 HydrophobicContact CG2-CD1 4.27Å; V308-Y332 HydrophobicContact CG2-CE1 4.19Å; V308-V333 HydrophobicContact CB-CG2 4.47Å; V308-V333 HydrophobicContact CG1-CG2 3.91Å; V308-V333 HydrophobicContact CG2-CG2 3.63Å; V308-L381 HydrophobicContact CG1-CD1 4.48Å; V308-L381 HydrophobicContact CG1-CD2 4.35Å
309	E	94.5	Very high	93.7	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-45.2	174.4	-171.6	-158.7	-180	0	0	112.4	L305 L306 Q307 E311 L312 L313 I379 L381 L402 K422	L305-E309 PolarHBondContact O-N 2.66Å; L305-E309 VanDerWaalsContact O-N 3.13Å; L306-E309 WeakPolarHBondContact O-CB 3.49Å; L306-E309 PolarHBondContact O-N 3.36Å; Q307-E309 VanDerWaalsContact C-N 3.29Å; Q307-E309 PolarHBondContact O-N 2.81Å; E309-E311 VanDerWaalsContact C-N 3.27Å; E309-E311 PolarHBondContact O-N 3.33Å; E309-L312 WeakPolarHBondContact O-CB 3.37Å; E309-L312 PolarHBondContact O-N 2.74Å; E309-L312 VanDerWaalsContact O-N 3.1Å; E309-L313 WeakPolarHBondContact O-CG 3.23Å; E309-L313 PolarHBondContact O-N 2.82Å; E309-I379 HydrophobicContact CG-CD1 3.71Å; E309-I379 WeakPolarHBondContact OE1-CD1 3.34Å; E309-L381 HydrophobicContact CB-CD1 3.5Å; E309-L381 HydrophobicContact CG-CD1 3.79Å; E309-L402 HydrophobicContact CB-CD2 4.4Å; E309-L402 HydrophobicContact CG-CD2 4.01Å; E309-L402 WeakPolarHBondContact OE1-CD2 3.41Å; E309-L402 WeakPolarHBondContact OE2-CD2 3.39Å; E309-K422 IonicContact OE1-NZ 2.79Å; E309-K422 PolarHBondContact OE1-NZ 2.63Å; E309-K422 IonicContact OE2-NZ 3.18Å; E309-K422 PolarHBondContact OE2-NZ 2.79Å
310	E	93.4	Very high	93.8	Very high	103 Å²	103	40.1 Å²	40.1	48%	0.481	20%	0.202	S	C	.	.	H	α-helix	trans	-59.2	-40.2	175.6	-72.6	176.4	-174.8	0	0	111.8	L306 Q307 L313 K314	L306-E310 PolarHBondContact O-N 2.82Å; Q307-E310 PolarHBondContact O-N 3.13Å; E310-L313 PolarHBondContact O-N 2.85Å; E310-K314 WeakPolarHBondContact O-CG 3.45Å; E310-K314 PolarHBondContact O-N 3.44Å
311	E	93.6	Very high	93.9	Very high	38 Å²	38	40.1 Å²	40.1	18%	0.178	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-41.8	173.7	-174.1	55	-147.8	0	0	111.6	Q307 E309 L313 K314 Q315 Y332	Q307-E311 PolarHBondContact O-N 3.45Å; E309-E311 VanDerWaalsContact C-N 3.27Å; E309-E311 PolarHBondContact O-N 3.33Å; E311-L313 VanDerWaalsContact C-N 3.32Å; E311-L313 PolarHBondContact O-N 3.39Å; E311-K314 PolarHBondContact O-N 2.95Å; E311-Q315 WeakPolarHBondContact O-CG 3.47Å; E311-Q315 PolarHBondContact O-N 2.82Å; E311-Q315 PolarHBondContact OE1-NE2 2.92Å; E311-Y332 HydrophobicContact CB-CD1 4.25Å; E311-Y332 HydrophobicContact CB-CE1 4.47Å; E311-Y332 HydrophobicContact CB-CG 4.42Å; E311-Y332 HydrophobicContact CG-CD1 4.25Å; E311-Y332 HydrophobicContact CG-CD2 4.25Å; E311-Y332 HydrophobicContact CG-CG 3.94Å
312	L	94.4	Very high	93.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.9	-45.9	174	179.3	64.6	0	0	0	111.2	V308 E309 K314 Q315 L316 V329 L348 L363 I379 L381	V308-L312 PolarHBondContact O-N 3.42Å; E309-L312 WeakPolarHBondContact O-CB 3.37Å; E309-L312 PolarHBondContact O-N 2.74Å; E309-L312 VanDerWaalsContact O-N 3.1Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 2.78Å; L312-Q315 PolarHBondContact O-N 2.97Å; L312-Q315 VanDerWaalsContact O-N 3.09Å; L312-L316 HydrophobicContact CD1-CD1 4.34Å; L312-L316 HydrophobicContact CD1-CD2 4.38Å; L312-L316 HydrophobicContact CD1-CG 4.18Å; L312-L316 HydrophobicContact CD2-CD1 4.48Å; L312-L316 HydrophobicContact CG-CD1 3.96Å; L312-L316 HydrophobicContact CG-CG 4.23Å; L312-L316 VanDerWaalsContact O-CG 3.26Å; L312-L316 WeakPolarHBondContact O-CG 3.48Å; L312-L316 PolarHBondContact O-N 3.49Å; L312-L316 VanDerWaalsContact O-N 3.08Å; L312-V329 HydrophobicContact CB-CG2 3.74Å; L312-V329 HydrophobicContact CD1-CG2 3.7Å; L312-V329 HydrophobicContact CG-CG2 4.31Å; L312-L348 HydrophobicContact CD1-CD1 4.21Å; L312-L348 HydrophobicContact CD2-CB 4.07Å; L312-L363 HydrophobicContact CD1-CD2 4.32Å; L312-I379 HydrophobicContact CD2-CB 4.09Å; L312-I379 HydrophobicContact CD2-CG2 3.84Å; L312-L381 HydrophobicContact CD2-CD1 3.99Å; L312-L381 HydrophobicContact CD2-CD2 4.25Å; L312-L381 HydrophobicContact CD2-CG 4.3Å
313	L	93.6	Very high	93.9	Very high	15 Å²	15	39.8 Å²	39.8	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-59.7	-35.9	179.7	-68.1	173.1	0	0	0	112.9	E309 E310 E311 L316 I379 V406 A414 I416	E309-L313 WeakPolarHBondContact O-CG 3.23Å; E309-L313 PolarHBondContact O-N 2.82Å; E310-L313 PolarHBondContact O-N 2.85Å; E311-L313 VanDerWaalsContact C-N 3.32Å; E311-L313 PolarHBondContact O-N 3.39Å; L313-L316 PolarHBondContact O-N 3.2Å; L313-I379 HydrophobicContact CD2-CD1 3.69Å; L313-I379 HydrophobicContact CG-CD1 4.25Å; L313-V406 HydrophobicContact CD2-CB 4.34Å; L313-V406 HydrophobicContact CD2-CG1 3.83Å; L313-A414 HydrophobicContact CD2-CB 4.1Å; L313-A414 PolarHBondContact O-N 3.41Å; L313-I416 HydrophobicContact CD1-CD1 3.86Å; L313-I416 HydrophobicContact CD1-CG1 4.11Å
314	K	91.9	Very high	93.9	Very high	115 Å²	115	40.7 Å²	40.7	50%	0.5	20%	0.202	S	C	.	.	H	α-helix	trans	-67.1	-34.6	175.4	-69.7	171.4	-173.4	171	0	112.6	E310 E311 L312 K317	E310-K314 WeakPolarHBondContact O-CG 3.45Å; E310-K314 PolarHBondContact O-N 3.44Å; E311-K314 PolarHBondContact O-N 2.95Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 2.78Å; K314-K317 WeakPolarHBondContact O-CE 3.49Å
315	Q	91.5	Very high	93.9	Very high	63 Å²	63	40.3 Å²	40.3	29%	0.294	20%	0.201	S	C	.	.	H	α-helix	trans	-79.3	-21.2	178.7	-60.5	-63.6	-24.3	0	0	112.9	E311 L312 K317 A325	E311-Q315 WeakPolarHBondContact O-CG 3.47Å; E311-Q315 PolarHBondContact O-N 2.82Å; E311-Q315 PolarHBondContact OE1-NE2 2.92Å; L312-Q315 PolarHBondContact O-N 2.97Å; L312-Q315 VanDerWaalsContact O-N 3.09Å; Q315-K317 VanDerWaalsContact C-N 3.33Å; Q315-K317 PolarHBondContact O-N 2.82Å; Q315-A325 HydrophobicContact CB-CB 4.01Å
316	L	92.8	Very high	93.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.205	C	C	.	.			trans	-79.9	74.4	-178.8	-71.8	179.2	0	0	0	112.2	L312 L313 A325 L363 L371 L377 I379 V406 I408 A414	L312-L316 HydrophobicContact CD1-CD1 4.34Å; L312-L316 HydrophobicContact CD1-CD2 4.38Å; L312-L316 HydrophobicContact CD1-CG 4.18Å; L312-L316 HydrophobicContact CD2-CD1 4.48Å; L312-L316 HydrophobicContact CG-CD1 3.96Å; L312-L316 HydrophobicContact CG-CG 4.23Å; L312-L316 VanDerWaalsContact O-CG 3.26Å; L312-L316 WeakPolarHBondContact O-CG 3.48Å; L312-L316 PolarHBondContact O-N 3.49Å; L312-L316 VanDerWaalsContact O-N 3.08Å; L313-L316 PolarHBondContact O-N 3.2Å; L316-A325 HydrophobicContact CD2-CB 4.29Å; L316-L363 HydrophobicContact CD2-CD2 3.95Å; L316-L371 HydrophobicContact CB-CD1 4.44Å; L316-L371 HydrophobicContact CD2-CD1 3.49Å; L316-L371 VanDerWaalsContact CD2-CD1 3.49Å; L316-L377 HydrophobicContact CD1-CD1 4Å; L316-L377 HydrophobicContact CD2-CD1 3.86Å; L316-L377 HydrophobicContact CG-CD1 4.47Å; L316-I379 HydrophobicContact CD1-CG2 3.75Å; L316-V406 HydrophobicContact CD1-CG2 4.36Å; L316-I408 HydrophobicContact CB-CD1 3.71Å; L316-I408 WeakPolarHBondContact O-CD1 3.34Å; L316-A414 HydrophobicContact CB-CB 3.99Å
317	K	92.1	Very high	93.8	Very high	80 Å²	80	43.8 Å²	43.8	35%	0.348	22%	0.217	S	C	.	.			trans	-119.3	161.1	-179.7	-65.5	-177.1	174.6	-168.2	0	113.2	K314 Q315 G319 V320 L371 E411	K314-K317 WeakPolarHBondContact O-CE 3.49Å; Q315-K317 VanDerWaalsContact C-N 3.33Å; Q315-K317 PolarHBondContact O-N 2.82Å; K317-G319 PolarHBondContact O-N 3.43Å; K317-V320 HydrophobicContact CB-CG2 4.03Å; K317-V320 PolarHBondContact O-N 3.44Å; K317-L371 WeakPolarHBondContact O-CB 2.95Å; K317-E411 WeakPolarHBondContact CE-O 3.16Å; K317-E411 PolarHBondContact NZ-O 3.09Å
318	H	94.2	Very high	93.7	Very high	86 Å²	86	40.3 Å²	40.3	40%	0.398	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	135.7	173.8	179.9	41.3	0	0	0	111.7	V320 L371 K372 E410	H318-V320 VanDerWaalsContact C-N 3.27Å; H318-V320 PolarHBondContact O-N 3.19Å; H318-L371 PolarHBondContact ND1-O 3.33Å; H318-L371 VanDerWaalsContact ND1-O 3.13Å; H318-K372 WeakPolarHBondContact ND1-CA 3.39Å; H318-E410 WeakPolarHBondContact CB-O 3.3Å
319	G	92.1	Very high	93.7	Very high	36 Å²	36	40.3 Å²	40.3	37%	0.371	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-19.6	174.9	0	0	0	0	0	114.5	K317 L371	K317-G319 PolarHBondContact O-N 3.43Å; G319-L371 PolarHBondContact N-O 3.31Å
320	V	93.3	Very high	93.6	Very high	41 Å²	41	42.1 Å²	42.1	25%	0.248	21%	0.214	C	C	.	.			trans	-69.3	137.7	177	-178.4	0	0	0	0	110.3	K317 H318 D324 A325 K370 L371	K317-V320 HydrophobicContact CB-CG2 4.03Å; K317-V320 PolarHBondContact O-N 3.44Å; H318-V320 VanDerWaalsContact C-N 3.27Å; H318-V320 PolarHBondContact O-N 3.19Å; V320-D324 HydrophobicContact CG1-CB 4.31Å; V320-A325 HydrophobicContact CG1-CB 4.22Å; V320-K370 WeakPolarHBondContact O-CA 3.17Å; V320-L371 PolarHBondContact O-N 3.23Å
321	K	95.3	Very high	93.6	Very high	71 Å²	71	43.8 Å²	43.8	31%	0.309	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-75.9	144.7	172.6	-61.8	179.5	174.9	-175.2	0	110.3	C323 D324 A325 Y369 K370	K321-C323 VanDerWaalsContact C-N 3.26Å; K321-C323 PolarHBondContact O-N 3.46Å; K321-D324 HydrophobicContact CB-CB 4.36Å; K321-D324 WeakPolarHBondContact CB-OD2 3.46Å; K321-D324 PolarHBondContact O-N 2.94Å; K321-A325 PolarHBondContact O-N 2.79Å; K321-A325 VanDerWaalsContact O-N 3.15Å; K321-Y369 WeakPolarHBondContact CA-O 3.48Å; K321-K370 HydrophobicContact CG-CG 4.09Å
322	I	95.1	Very high	93.6	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-39.1	179	-68.7	174.8	0	0	0	111.9	D324 Y326 L361 L363 N367 Y369 L371	I322-D324 VanDerWaalsContact C-N 3.31Å; I322-D324 PolarHBondContact O-N 2.91Å; I322-Y326 PolarHBondContact O-N 2.79Å; I322-L361 HydrophobicContact CD1-CD2 4.13Å; I322-L363 HydrophobicContact CG2-CB 4.25Å; I322-L363 HydrophobicContact CG2-CD1 4.48Å; I322-L363 HydrophobicContact CG2-CG 4.07Å; I322-N367 HydrophobicContact CB-CB 3.93Å; I322-N367 HydrophobicContact CG2-CB 3.67Å; I322-Y369 WeakPolarHBondContact CG1-O 3.31Å; I322-Y369 PolarHBondContact N-O 3.26Å; I322-L371 HydrophobicContact CD1-CD2 4.3Å; I322-L371 HydrophobicContact CG1-CD2 3.82Å; I322-L371 HydrophobicContact CG1-CG 4.11Å
323	C	95.3	Very high	93.6	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.027	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-35.5	176.2	58.7	0	0	0	0	113.1	K321 Y326 N327 A365 N367 Q368	K321-C323 VanDerWaalsContact C-N 3.26Å; K321-C323 PolarHBondContact O-N 3.46Å; C323-Y326 PolarHBondContact O-N 3.36Å; C323-N327 WeakPolarHBondContact O-CB 3.36Å; C323-N327 PolarHBondContact O-N 3.11Å; C323-N327 PolarHBondContact O-ND2 2.77Å; C323-N327 VanDerWaalsContact O-ND2 3.15Å; C323-A365 WeakPolarHBondContact CB-O 3.47Å; C323-N367 VanDerWaalsContact CB-O 3.25Å; C323-N367 WeakPolarHBondContact CB-O 3.07Å; C323-N367 PolarHBondContact N-O 2.82Å; C323-N367 PolarHBondContact SG-O 2.98Å; C323-Q368 PolarHBondContact SG-NE2 3.17Å
324	D	95.1	Very high	93.6	Very high	82 Å²	82	51.1 Å²	51.1	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-72.7	-42.5	-177.4	-58.7	-16.6	0	0	0	109.8	V320 K321 I322 Y326 N327 G328	V320-D324 HydrophobicContact CG1-CB 4.31Å; K321-D324 HydrophobicContact CB-CB 4.36Å; K321-D324 WeakPolarHBondContact CB-OD2 3.46Å; K321-D324 PolarHBondContact O-N 2.94Å; I322-D324 VanDerWaalsContact C-N 3.31Å; I322-D324 PolarHBondContact O-N 2.91Å; D324-Y326 VanDerWaalsContact C-N 3.33Å; D324-Y326 PolarHBondContact O-N 3.01Å; D324-N327 PolarHBondContact O-N 2.58Å; D324-G328 PolarHBondContact O-N 3.15Å
325	A	93.4	Very high	93.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-41.3	172.3	0	0	0	0	0	112.1	Q315 L316 V320 K321 V329	Q315-A325 HydrophobicContact CB-CB 4.01Å; L316-A325 HydrophobicContact CD2-CB 4.29Å; V320-A325 HydrophobicContact CG1-CB 4.22Å; K321-A325 PolarHBondContact O-N 2.79Å; K321-A325 VanDerWaalsContact O-N 3.15Å; A325-V329 WeakPolarHBondContact O-CG2 3.17Å; A325-V329 PolarHBondContact O-N 2.99Å
326	Y	95	Very high	93.8	Very high	28 Å²	28	55 Å²	55	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-47	174.2	177.9	-85.8	0	0	0	112	I322 C323 D324 V329 M330 K346 L348 N364 A365	I322-Y326 PolarHBondContact O-N 2.79Å; C323-Y326 PolarHBondContact O-N 3.36Å; D324-Y326 VanDerWaalsContact C-N 3.33Å; D324-Y326 PolarHBondContact O-N 3.01Å; Y326-V329 PolarHBondContact O-N 2.94Å; Y326-M330 HydrophobicContact CD1-CG 3.86Å; Y326-M330 HydrophobicContact CE1-CG 3.37Å; Y326-M330 HydrophobicContact CE1-SD 4.14Å; Y326-M330 HydrophobicContact CE2-CG 4.47Å; Y326-M330 HydrophobicContact CE2-SD 4.49Å; Y326-M330 WeakPolarHBondContact O-CG 3.39Å; Y326-M330 PolarHBondContact O-N 3.25Å; Y326-K346 WeakPolarHBondContact CE2-O 3.38Å; Y326-K346 PolarHBondContact OH-O 3.06Å; Y326-L348 HydrophobicContact CD2-CD1 3.51Å; Y326-L348 HydrophobicContact CD2-CD2 4.47Å; Y326-L348 HydrophobicContact CD2-CG 3.58Å; Y326-L348 HydrophobicContact CE2-CD1 4.02Å; Y326-L348 HydrophobicContact CE2-CD2 4.19Å; Y326-L348 HydrophobicContact CE2-CG 3.76Å; Y326-L348 HydrophobicContact CG-CD1 4.21Å; Y326-N364 VanDerWaalsContact CD2-CA 3.5Å; Y326-A365 HydrophobicContact CD1-CB 3.71Å; Y326-A365 HydrophobicContact CE1-CB 3.68Å
327	N	94.4	Very high	93.7	Very high	64 Å²	64	58.1 Å²	58.1	34%	0.342	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-39.7	-177.8	-69.6	-24.5	0	0	0	111.7	C323 D324 V329 M330 E331	C323-N327 WeakPolarHBondContact O-CB 3.36Å; C323-N327 PolarHBondContact O-N 3.11Å; C323-N327 PolarHBondContact O-ND2 2.77Å; C323-N327 VanDerWaalsContact O-ND2 3.15Å; D324-N327 PolarHBondContact O-N 2.58Å; N327-V329 VanDerWaalsContact C-N 3.31Å; N327-V329 PolarHBondContact O-N 3.01Å; N327-M330 PolarHBondContact O-N 3.05Å; N327-M330 VanDerWaalsContact O-N 3.16Å; N327-E331 WeakPolarHBondContact O-CG 3.39Å; N327-E331 PolarHBondContact O-N 3.4Å
328	G	92.8	Very high	93.6	Very high	16 Å²	16	58 Å²	58	17%	0.165	29%	0.29	C	S	.	.	H	α-helix	trans	-57.4	-43.3	175.5	0	0	0	0	0	112.5	D324 E331 Y332	D324-G328 PolarHBondContact O-N 3.15Å; G328-E331 PolarHBondContact O-N 3.45Å; G328-Y332 PolarHBondContact O-N 2.85Å
329	V	93.8	Very high	93.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-42.3	175.5	177.4	0	0	0	0	111.8	V308 L312 A325 Y326 N327 E331 Y332 V333 L348	V308-V329 HydrophobicContact CG1-CG1 3.62Å; L312-V329 HydrophobicContact CB-CG2 3.74Å; L312-V329 HydrophobicContact CD1-CG2 3.7Å; L312-V329 HydrophobicContact CG-CG2 4.31Å; A325-V329 WeakPolarHBondContact O-CG2 3.17Å; A325-V329 PolarHBondContact O-N 2.99Å; Y326-V329 PolarHBondContact O-N 2.94Å; N327-V329 VanDerWaalsContact C-N 3.31Å; N327-V329 PolarHBondContact O-N 3.01Å; V329-E331 VanDerWaalsContact C-N 3.31Å; V329-E331 PolarHBondContact O-N 3.15Å; V329-Y332 PolarHBondContact O-N 3.02Å; V329-V333 HydrophobicContact CG1-CG2 4.4Å; V329-V333 VanDerWaalsContact O-CG2 3.3Å; V329-V333 WeakPolarHBondContact O-CG2 3.45Å; V329-V333 PolarHBondContact O-N 2.93Å; V329-L348 HydrophobicContact CB-CD1 3.87Å; V329-L348 HydrophobicContact CG1-CD1 3.92Å; V329-L348 HydrophobicContact CG2-CD1 4.26Å
330	M	92.9	Very high	93.2	Very high	40 Å²	40	59.8 Å²	59.8	20%	0.197	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-36.2	177.5	-67.1	-59.5	-64.6	0	0	112.5	Y326 N327 K334 V341 L344	Y326-M330 HydrophobicContact CD1-CG 3.86Å; Y326-M330 HydrophobicContact CE1-CG 3.37Å; Y326-M330 HydrophobicContact CE1-SD 4.14Å; Y326-M330 HydrophobicContact CE2-CG 4.47Å; Y326-M330 HydrophobicContact CE2-SD 4.49Å; Y326-M330 WeakPolarHBondContact O-CG 3.39Å; Y326-M330 PolarHBondContact O-N 3.25Å; N327-M330 PolarHBondContact O-N 3.05Å; N327-M330 VanDerWaalsContact O-N 3.16Å; M330-K334 VanDerWaalsContact O-CB 3.25Å; M330-K334 WeakPolarHBondContact O-CB 3.4Å; M330-K334 PolarHBondContact O-N 3.43Å; M330-V341 HydrophobicContact CE-CG1 3.72Å; M330-L344 HydrophobicContact SD-CD2 3.79Å
331	E	93.9	Very high	93	Very high	138 Å²	138	59.9 Å²	59.9	65%	0.645	29%	0.294	S	S	*	.	H	α-helix	trans	-66.4	-43.1	174.5	-75.6	179.4	-178.7	0	0	111.5	N327 G328 V329 K334 K335	N327-E331 WeakPolarHBondContact O-CG 3.39Å; N327-E331 PolarHBondContact O-N 3.4Å; G328-E331 PolarHBondContact O-N 3.45Å; V329-E331 VanDerWaalsContact C-N 3.31Å; V329-E331 PolarHBondContact O-N 3.15Å; E331-K334 PolarHBondContact O-N 2.89Å; E331-K335 WeakPolarHBondContact O-CB 3.45Å; E331-K335 PolarHBondContact O-N 3.24Å
332	Y	93.7	Very high	92.8	Very high	57 Å²	57	60.9 Å²	60.9	22%	0.224	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-49.8	173.8	179.3	-100.6	0	0	0	111.8	F304 V308 E311 G328 V329 K334 K335 E336	F304-Y332 HydrophobicContact CE2-CE1 4.42Å; V308-Y332 HydrophobicContact CG2-CD1 4.27Å; V308-Y332 HydrophobicContact CG2-CE1 4.19Å; E311-Y332 HydrophobicContact CB-CD1 4.25Å; E311-Y332 HydrophobicContact CB-CE1 4.47Å; E311-Y332 HydrophobicContact CB-CG 4.42Å; E311-Y332 HydrophobicContact CG-CD1 4.25Å; E311-Y332 HydrophobicContact CG-CD2 4.25Å; E311-Y332 HydrophobicContact CG-CG 3.94Å; G328-Y332 PolarHBondContact O-N 2.85Å; V329-Y332 PolarHBondContact O-N 3.02Å; Y332-K334 VanDerWaalsContact C-N 3.31Å; Y332-K334 PolarHBondContact O-N 3.25Å; Y332-K335 WeakPolarHBondContact O-CB 3.45Å; Y332-K335 PolarHBondContact O-N 2.88Å; Y332-K335 VanDerWaalsContact O-N 3.13Å; Y332-E336 HydrophobicContact CD2-CG 4.31Å; Y332-E336 HydrophobicContact CE1-CG 4.31Å; Y332-E336 HydrophobicContact CE2-CG 3.88Å; Y332-E336 PolarHBondContact O-N 2.82Å
333	V	93.7	Very high	92.7	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-40.6	178.9	177.3	0	0	0	0	111.4	F304 V308 V329 K335 K337 V341 L344	F304-V333 HydrophobicContact CE1-CG1 4.16Å; F304-V333 HydrophobicContact CZ-CB 4.44Å; F304-V333 HydrophobicContact CZ-CG1 4.14Å; F304-V333 HydrophobicContact CZ-CG2 4.31Å; V308-V333 HydrophobicContact CB-CG2 4.47Å; V308-V333 HydrophobicContact CG1-CG2 3.91Å; V308-V333 HydrophobicContact CG2-CG2 3.63Å; V329-V333 HydrophobicContact CG1-CG2 4.4Å; V329-V333 VanDerWaalsContact O-CG2 3.3Å; V329-V333 WeakPolarHBondContact O-CG2 3.45Å; V329-V333 PolarHBondContact O-N 2.93Å; V333-K335 VanDerWaalsContact C-N 3.28Å; V333-K335 PolarHBondContact O-N 3.07Å; V333-K337 CarbonylContact O-C 3.45Å; V333-K337 PolarHBondContact O-N 3.14Å; V333-K337 VanDerWaalsContact O-O 3.12Å; V333-V341 HydrophobicContact CB-CG2 4.46Å; V333-V341 HydrophobicContact CG1-CG2 3.78Å; V333-L344 HydrophobicContact CG2-CD2 4.15Å
334	K	93.8	Very high	92.6	Very high	149 Å²	149	64.5 Å²	64.5	65%	0.648	33%	0.332	S	S	*	.	H	α-helix	trans	-65	-32.1	177.8	-172.2	180	179.8	-173.1	0	112.6	M330 E331 Y332 V341	M330-K334 VanDerWaalsContact O-CB 3.25Å; M330-K334 WeakPolarHBondContact O-CB 3.4Å; M330-K334 PolarHBondContact O-N 3.43Å; E331-K334 PolarHBondContact O-N 2.89Å; Y332-K334 VanDerWaalsContact C-N 3.31Å; Y332-K334 PolarHBondContact O-N 3.25Å; K334-V341 HydrophobicContact CB-CG2 4.09Å
335	K	93.5	Very high	92.4	Very high	165 Å²	165	61.7 Å²	61.7	72%	0.717	32%	0.317	S	S	*	.	H	α-helix	trans	-74	-47.3	178.2	-177.9	-173.2	170.3	-164	0	111.9	E331 Y332 V333	E331-K335 WeakPolarHBondContact O-CB 3.45Å; E331-K335 PolarHBondContact O-N 3.24Å; Y332-K335 WeakPolarHBondContact O-CB 3.45Å; Y332-K335 PolarHBondContact O-N 2.88Å; Y332-K335 VanDerWaalsContact O-N 3.13Å; V333-K335 VanDerWaalsContact C-N 3.28Å; V333-K335 PolarHBondContact O-N 3.07Å
336	E	92.9	Very high	92.3	Very high	95 Å²	95	70.1 Å²	70.1	44%	0.444	35%	0.354	S	S	.	.	H	α-helix	trans	-85.6	-46.2	-172.4	-62.5	-59.1	133.8	0	0	112.9	F304 Y332	F304-E336 HydrophobicContact CE2-CB 3.71Å; F304-E336 HydrophobicContact CZ-CB 4.26Å; Y332-E336 HydrophobicContact CD2-CG 4.31Å; Y332-E336 HydrophobicContact CE1-CG 4.31Å; Y332-E336 HydrophobicContact CE2-CG 3.88Å; Y332-E336 PolarHBondContact O-N 2.82Å
337	K	90.9	Very high	92.1	Very high	67 Å²	67	71.9 Å²	71.9	29%	0.291	37%	0.365	S	S	.	.			trans	-141	82.5	180	-72.7	-166.7	173.5	179.5	0	111.6	N301 F304 V333 D339 L340	N301-K337 PolarHBondContact OD1-NZ 2.93Å; F304-K337 HydrophobicContact CD1-CD 4.05Å; F304-K337 HydrophobicContact CD2-CD 4.18Å; F304-K337 HydrophobicContact CD2-CG 4.39Å; F304-K337 HydrophobicContact CE1-CB 3.96Å; F304-K337 HydrophobicContact CE1-CD 4.29Å; F304-K337 HydrophobicContact CE1-CG 4.43Å; F304-K337 HydrophobicContact CE2-CB 4.28Å; F304-K337 HydrophobicContact CE2-CD 4.43Å; F304-K337 HydrophobicContact CE2-CG 4.2Å; F304-K337 HydrophobicContact CG-CD 3.97Å; F304-K337 HydrophobicContact CZ-CB 3.8Å; F304-K337 HydrophobicContact CZ-CD 4.47Å; F304-K337 HydrophobicContact CZ-CG 4.2Å; V333-K337 CarbonylContact O-C 3.45Å; V333-K337 PolarHBondContact O-N 3.14Å; V333-K337 VanDerWaalsContact O-O 3.12Å; K337-D339 PolarHBondContact O-N 2.97Å; K337-L340 HydrophobicContact CB-CB 4.35Å; K337-L340 HydrophobicContact CB-CD1 4Å; K337-L340 HydrophobicContact CB-CG 4.19Å; K337-L340 HydrophobicContact CD-CD1 3.53Å; K337-L340 HydrophobicContact CD-CG 4.38Å; K337-L340 HydrophobicContact CG-CD1 4.4Å; K337-L340 PolarHBondContact O-N 2.87Å; K337-L340 VanDerWaalsContact O-N 3.14Å
338	P	90.1	Very high	92.1	Very high	77 Å²	77	68.8 Å²	68.8	50%	0.5	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-60.6	-30.3	-176.1	23.6	-33.8	0	0	0	113.6	L340 V341	P338-L340 PolarHBondContact O-N 2.7Å; P338-V341 WeakPolarHBondContact O-CB 3.45Å; P338-V341 VanDerWaalsContact O-CG2 3.3Å; P338-V341 WeakPolarHBondContact O-CG2 3.34Å; P338-V341 PolarHBondContact O-N 3.48Å
339	D	88.4	Confident	92.2	Very high	143 Å²	143	68 Å²	68	77%	0.765	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-67.6	-25	-178.9	-59	-32.3	0	0	0	113	K337	K337-D339 PolarHBondContact O-N 2.97Å
340	L	89.4	Confident	92.3	Very high	17 Å²	17	68.2 Å²	68.2	9%	0.089	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-87.3	-11.3	-179.4	-64.6	-177.1	0	0	0	113.3	F304 K337 P338 A342 K343 L344 L383 L386	F304-L340 HydrophobicContact CD1-CD1 3.63Å; F304-L340 HydrophobicContact CE1-CB 4.46Å; F304-L340 HydrophobicContact CE1-CD1 3.85Å; K337-L340 HydrophobicContact CB-CB 4.35Å; K337-L340 HydrophobicContact CB-CD1 4Å; K337-L340 HydrophobicContact CB-CG 4.19Å; K337-L340 HydrophobicContact CD-CD1 3.53Å; K337-L340 HydrophobicContact CD-CG 4.38Å; K337-L340 HydrophobicContact CG-CD1 4.4Å; K337-L340 PolarHBondContact O-N 2.87Å; K337-L340 VanDerWaalsContact O-N 3.14Å; P338-L340 PolarHBondContact O-N 2.7Å; L340-A342 VanDerWaalsContact C-N 3.26Å; L340-A342 PolarHBondContact O-N 2.84Å; L340-K343 WeakPolarHBondContact O-CA 3.42Å; L340-K343 WeakPolarHBondContact O-CB 3.47Å; L340-K343 PolarHBondContact O-N 2.82Å; L340-L344 PolarHBondContact O-N 3.17Å; L340-L383 HydrophobicContact CB-CD2 4.18Å; L340-L383 HydrophobicContact CD1-CD1 4.12Å; L340-L386 HydrophobicContact CD2-CD2 3.78Å
341	V	89.8	Confident	92.5	Very high	42 Å²	42	66.5 Å²	66.5	26%	0.255	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-40.9	179.9	176.5	0	0	0	0	111.5	M330 V333 K334 P338 K343	M330-V341 HydrophobicContact CE-CG1 3.72Å; V333-V341 HydrophobicContact CB-CG2 4.46Å; V333-V341 HydrophobicContact CG1-CG2 3.78Å; K334-V341 HydrophobicContact CB-CG2 4.09Å; P338-V341 WeakPolarHBondContact O-CB 3.45Å; P338-V341 VanDerWaalsContact O-CG2 3.3Å; P338-V341 WeakPolarHBondContact O-CG2 3.34Å; P338-V341 PolarHBondContact O-N 3.48Å; V341-K343 VanDerWaalsContact C-N 3.25Å; V341-K343 PolarHBondContact O-N 2.87Å
342	A	90.8	Very high	92.6	Very high	93 Å²	93	60 Å²	60	77%	0.769	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.1	179.4	0	0	0	0	0	113.5	L340	L340-A342 VanDerWaalsContact C-N 3.26Å; L340-A342 PolarHBondContact O-N 2.84Å
343	K	92.6	Very high	92.6	Very high	67 Å²	67	57.3 Å²	57.3	29%	0.291	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-18.2	-177.8	-56.6	-57.8	-171.3	156.1	0	112.6	L340 V341 L383 S384 D385 L386	L340-K343 WeakPolarHBondContact O-CA 3.42Å; L340-K343 WeakPolarHBondContact O-CB 3.47Å; L340-K343 PolarHBondContact O-N 2.82Å; V341-K343 VanDerWaalsContact C-N 3.25Å; V341-K343 PolarHBondContact O-N 2.87Å; K343-L383 HydrophobicContact CB-CD2 4.31Å; K343-L383 WeakPolarHBondContact O-CA 3.4Å; K343-S384 WeakPolarHBondContact CB-O 3.38Å; K343-S384 WeakPolarHBondContact CD-O 3.49Å; K343-S384 PolarHBondContact O-N 3.25Å; K343-D385 HydrophobicContact CD-CB 4.26Å; K343-D385 PolarHBondContact NZ-O 3.39Å; K343-L386 HydrophobicContact CB-CD2 4.39Å; K343-L386 HydrophobicContact CG-CD2 4.32Å
344	L	92.8	Very high	92.7	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.079	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-67.5	143.5	178.2	-167.3	70.9	0	0	0	112	L305 M330 V333 L340 K346 L348 G382 L383	L305-L344 HydrophobicContact CD1-CD1 4.45Å; M330-L344 HydrophobicContact SD-CD2 3.79Å; V333-L344 HydrophobicContact CG2-CD2 4.15Å; L340-L344 PolarHBondContact O-N 3.17Å; L344-K346 PolarHBondContact O-N 3.06Å; L344-L348 HydrophobicContact CD2-CD2 4.07Å; L344-L348 HydrophobicContact CG-CD2 4.42Å; L344-G382 CarbonylContact C-O 3.57Å; L344-G382 WeakPolarHBondContact CA-O 3.19Å; L344-L383 HydrophobicContact CB-CD2 4.29Å; L344-L383 HydrophobicContact CD1-CD2 4Å
345	T	92	Very high	92.7	Very high	22 Å²	22	51.4 Å²	51.4	14%	0.135	27%	0.268	C	S	.	.			trans	-55.8	130.5	173.1	44.7	0	0	0	0	112	L255 N347 G382 F401	L255-T345 HydrophobicContact CB-CG2 4.06Å; L255-T345 HydrophobicContact CD1-CG2 4.01Å; T345-N347 WeakPolarHBondContact CB-O 3.48Å; T345-N347 PolarHBondContact O-N 3.4Å; T345-N347 VanDerWaalsContact O-N 3.15Å; T345-N347 PolarHBondContact OG1-O 3.2Å; T345-G382 PolarHBondContact N-O 3.02Å; T345-G382 PolarHBondContact OG1-N 3.2Å; T345-G382 VanDerWaalsContact OG1-N 3.17Å; T345-F401 HydrophobicContact CG2-CE2 4.42Å
346	K	90.4	Very high	92.7	Very high	177 Å²	177	44.1 Å²	44.1	77%	0.77	24%	0.237	S	C	*	.	S	Bend	trans	-63.2	-21.1	-179.4	-62.2	-174.3	-179.2	-177.3	0	114.8	Y326 L344	Y326-K346 WeakPolarHBondContact CE2-O 3.38Å; Y326-K346 PolarHBondContact OH-O 3.06Å; L344-K346 PolarHBondContact O-N 3.06Å
347	N	92.7	Very high	92.8	Very high	65 Å²	65	45.1 Å²	45.1	35%	0.348	24%	0.236	S	C	.	.			trans	-121.6	137.4	173.9	-52.2	-55.3	0	0	0	107	T345 V362 L363	T345-N347 WeakPolarHBondContact CB-O 3.48Å; T345-N347 PolarHBondContact O-N 3.4Å; T345-N347 VanDerWaalsContact O-N 3.15Å; T345-N347 PolarHBondContact OG1-O 3.2Å; N347-V362 HydrophobicContact CB-CG1 3.85Å; N347-L363 WeakPolarHBondContact CA-O 3.13Å
348	L	94.3	Very high	92.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.			trans	-98	3	-177.3	-49.9	178.1	0	0	0	112.7	L312 Y326 V329 L344 L363 S380 L381	L312-L348 HydrophobicContact CD1-CD1 4.21Å; L312-L348 HydrophobicContact CD2-CB 4.07Å; Y326-L348 HydrophobicContact CD2-CD1 3.51Å; Y326-L348 HydrophobicContact CD2-CD2 4.47Å; Y326-L348 HydrophobicContact CD2-CG 3.58Å; Y326-L348 HydrophobicContact CE2-CD1 4.02Å; Y326-L348 HydrophobicContact CE2-CD2 4.19Å; Y326-L348 HydrophobicContact CE2-CG 3.76Å; Y326-L348 HydrophobicContact CG-CD1 4.21Å; V329-L348 HydrophobicContact CB-CD1 3.87Å; V329-L348 HydrophobicContact CG1-CD1 3.92Å; V329-L348 HydrophobicContact CG2-CD1 4.26Å; L344-L348 HydrophobicContact CD2-CD2 4.07Å; L344-L348 HydrophobicContact CG-CD2 4.42Å; L348-L363 HydrophobicContact CB-CB 4.25Å; L348-L363 PolarHBondContact N-O 2.97Å; L348-S380 CarbonylContact C-O 3.13Å; L348-S380 VanDerWaalsContact C-O 3.25Å; L348-S380 WeakPolarHBondContact CA-O 3.38Å; L348-S380 PolarHBondContact O-N 3.37Å; L348-L381 HydrophobicContact CB-CD2 3.76Å; L348-L381 HydrophobicContact CD1-CD2 4.43Å; L348-L381 HydrophobicContact CD2-CD2 3.38Å; L348-L381 HydrophobicContact CG-CD2 3.99Å
349	G	94.8	Very high	92.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-170.9	-176.6	0	0	0	0	0	113.1	L363 S378	G349-L363 PolarHBondContact O-N 3.23Å; G349-S378 CarbonylContact C-O 3.46Å; G349-S378 WeakPolarHBondContact CA-O 3.42Å
350	F	96.1	Very high	92.9	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	159	175.5	43.6	-97.1	0	0	0	111.4	F257 F356 R357 L361 V362 L377 S378	F257-F350 AromaticContact CD2-CE1 3.57Å; F257-F350 HydrophobicContact CD2-CE1 3.57Å; F257-F350 AromaticContact CD2-CZ 3.71Å; F257-F350 HydrophobicContact CD2-CZ 3.71Å; F257-F350 AromaticContact CE2-CE1 3.55Å; F257-F350 HydrophobicContact CE2-CE1 3.55Å; F257-F350 AromaticContact CE2-CZ 3.79Å; F257-F350 HydrophobicContact CE2-CZ 3.79Å; F350-F356 HydrophobicContact CE2-CE1 4.2Å; F350-F356 HydrophobicContact CE2-CE2 4.43Å; F350-F356 HydrophobicContact CE2-CZ 4.15Å; F350-F356 WeakPolarHBondContact CE2-O 3.36Å; F350-F356 AromaticContact CZ-CE1 3.84Å; F350-F356 HydrophobicContact CZ-CE1 3.84Å; F350-F356 HydrophobicContact CZ-CE2 4.45Å; F350-F356 AromaticContact CZ-CZ 3.77Å; F350-F356 HydrophobicContact CZ-CZ 3.77Å; F350-R357 HydrophobicContact CB-CG 4.21Å; F350-R357 HydrophobicContact CD1-CG 3.88Å; F350-R357 HydrophobicContact CD2-CB 3.86Å; F350-R357 HydrophobicContact CD2-CG 3.78Å; F350-R357 HydrophobicContact CE1-CG 4.16Å; F350-R357 HydrophobicContact CE2-CB 3.8Å; F350-R357 HydrophobicContact CE2-CG 4.07Å; F350-R357 HydrophobicContact CG-CB 4.28Å; F350-R357 HydrophobicContact CG-CG 3.67Å; F350-R357 HydrophobicContact CZ-CB 4.18Å; F350-R357 HydrophobicContact CZ-CG 4.25Å; F350-L361 CarbonylContact C-O 3.59Å; F350-L361 WeakPolarHBondContact CA-O 3.41Å; F350-V362 HydrophobicContact CB-CG2 4.24Å; F350-L377 CarbonylContact O-C 3.6Å; F350-L377 WeakPolarHBondContact O-CA 3.22Å; F350-S378 PolarHBondContact N-O 3.13Å; F350-S378 PolarHBondContact O-N 2.95Å
351	A	95.8	Very high	93.1	Very high	3 Å²	3	35 Å²	35	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	146.7	170.6	0	0	0	0	0	111.8	E358 L361 M375 V376 L377	A351-E358 HydrophobicContact CB-CB 3.91Å; A351-E358 HydrophobicContact CB-CG 4.08Å; A351-E358 VanDerWaalsContact O-CB 3.24Å; A351-E358 WeakPolarHBondContact O-CB 3.34Å; A351-E358 WeakPolarHBondContact O-CG 3.42Å; A351-E358 PolarHBondContact O-N 2.82Å; A351-L361 HydrophobicContact CB-CB 3.55Å; A351-L361 HydrophobicContact CB-CD1 3.84Å; A351-L361 HydrophobicContact CB-CG 4.36Å; A351-L361 PolarHBondContact N-O 3.05Å; A351-M375 HydrophobicContact CB-CE 4.49Å; A351-V376 WeakPolarHBondContact CA-O 3.36Å; A351-L377 HydrophobicContact CB-CD2 3.71Å
352	M	95.8	Very high	93.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.184	C	C	.	.			trans	-134.2	154	-175.6	-174.9	165.2	58.2	0	0	110.3	K175 M183 C283 N285 F356 V376 T405	K175-M352 WeakPolarHBondContact CE-O 3.44Å; K175-M352 PolarHBondContact NZ-O 3.28Å; M183-M352 HydrophobicContact CE-CB 4.28Å; M183-M352 HydrophobicContact CE-CE 4.32Å; M183-M352 HydrophobicContact CE-CG 4.01Å; C283-M352 HydrophobicContact CB-CG 3.82Å; C283-M352 HydrophobicContact CB-SD 3.86Å; N285-M352 HydrophobicContact CB-CE 4.18Å; N285-M352 HydrophobicContact CB-SD 4.08Å; M352-F356 WeakPolarHBondContact CG-O 3.36Å; M352-F356 HydrophobicContact SD-CD2 4.05Å; M352-F356 HydrophobicContact SD-CE2 4.29Å; M352-V376 PolarHBondContact N-O 2.9Å; M352-T405 HydrophobicContact CE-CG2 3.43Å; M352-T405 VanDerWaalsContact CE-CG2 3.43Å; M352-T405 WeakPolarHBondContact CE-OG1 3.22Å
353	G	94.8	Very high	93.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	15%	0.148	C	C	.	.	S	Bend	trans	-173.9	-124.1	179.7	0	0	0	0	0	110.7	K175 C283 E355	K175-G353 VanDerWaalsContact CE-CA 3.41Å; C283-G353 WeakPolarHBondContact CB-O 3.27Å; C283-G353 PolarHBondContact N-O 3.13Å; G353-E355 VanDerWaalsContact C-N 3.27Å; G353-E355 CarbonylContact C-O 3.56Å; G353-E355 PolarHBondContact N-O 2.89Å
354	I	94.4	Very high	93.6	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.036	14%	0.144	C	C	.	.	S	Bend	trans	-66.8	-36.1	170.8	-61.8	164.8	0	0	0	110.5	Y46 A51 T54 W55 M172 R278 S281 Y282	Y46-I354 WeakPolarHBondContact CE1-O 3.46Å; A51-I354 HydrophobicContact CB-CB 4.4Å; A51-I354 HydrophobicContact CB-CG2 4.04Å; A51-I354 WeakPolarHBondContact O-CD1 3.45Å; T54-I354 HydrophobicContact CG2-CD1 3.97Å; T54-I354 HydrophobicContact CG2-CG1 4.26Å; T54-I354 HydrophobicContact CG2-CG2 3.97Å; W55-I354 HydrophobicContact CB-CD1 3.67Å; W55-I354 HydrophobicContact CG-CD1 4.39Å; M172-I354 HydrophobicContact CE-CD1 4.18Å; R278-I354 PolarHBondContact NH2-O 2.89Å; S281-I354 WeakPolarHBondContact O-CA 3.41Å; Y282-I354 HydrophobicContact CD1-CG1 4.15Å; Y282-I354 HydrophobicContact CE1-CD1 4.38Å; Y282-I354 HydrophobicContact CE1-CG1 3.72Å; Y282-I354 HydrophobicContact CE2-CG1 4.12Å
355	E	93.9	Very high	93.6	Very high	18 Å²	18	29 Å²	29	8%	0.084	16%	0.159	C	C	.	.	S	Bend	trans	-88.5	137	167.5	-72.6	171.8	71.3	0	0	109.8	Y46 K48 A51 G353	Y46-E355 HydrophobicContact CD1-CB 4.38Å; Y46-E355 HydrophobicContact CD1-CG 4.32Å; K48-E355 VanDerWaalsContact CD-OE2 3.27Å; K48-E355 WeakPolarHBondContact CD-OE2 3.49Å; K48-E355 WeakPolarHBondContact CE-OE2 3.37Å; K48-E355 IonicContact NZ-OE1 2.67Å; K48-E355 PolarHBondContact NZ-OE1 2.76Å; K48-E355 IonicContact NZ-OE2 3.22Å; K48-E355 PolarHBondContact NZ-OE2 2.81Å; A51-E355 HydrophobicContact CB-CG 3.79Å; A51-E355 VanDerWaalsContact CB-OE2 3.22Å; A51-E355 WeakPolarHBondContact CB-OE2 3.48Å; G353-E355 VanDerWaalsContact C-N 3.27Å; G353-E355 CarbonylContact C-O 3.56Å; G353-E355 PolarHBondContact N-O 2.89Å
356	F	94.6	Very high	93.7	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.057	19%	0.191	C	C	.	.	S	Bend	trans	-62	-46.5	177.8	171.3	-110	0	0	0	111.7	Y46 C242 Y243 F257 C283 N285 F350 M352	Y46-F356 HydrophobicContact CD2-CB 4.23Å; Y46-F356 HydrophobicContact CE1-CB 3.97Å; Y46-F356 HydrophobicContact CE2-CB 3.61Å; Y46-F356 VanDerWaalsContact CZ-CB 3.48Å; C242-F356 HydrophobicContact CB-CD2 3.87Å; C242-F356 HydrophobicContact CB-CE2 4.39Å; C242-F356 HydrophobicContact CB-CG 4.43Å; Y243-F356 HydrophobicContact CD1-CD1 4.24Å; Y243-F356 HydrophobicContact CD1-CD2 4.08Å; Y243-F356 AromaticContact CD1-CE1 3.85Å; Y243-F356 HydrophobicContact CD1-CE1 3.85Å; Y243-F356 AromaticContact CD1-CE2 3.68Å; Y243-F356 HydrophobicContact CD1-CE2 3.68Å; Y243-F356 HydrophobicContact CD1-CG 4.35Å; Y243-F356 AromaticContact CD1-CZ 3.55Å; Y243-F356 HydrophobicContact CD1-CZ 3.55Å; Y243-F356 HydrophobicContact CE1-CD2 4.12Å; Y243-F356 AromaticContact CE1-CE1 3.98Å; Y243-F356 HydrophobicContact CE1-CE1 3.98Å; Y243-F356 AromaticContact CE1-CE2 3.31Å; Y243-F356 HydrophobicContact CE1-CE2 3.31Å; Y243-F356 AromaticContact CE1-CZ 3.22Å; Y243-F356 HydrophobicContact CE1-CZ 3.22Å; F257-F356 HydrophobicContact CB-CE1 3.62Å; F257-F356 HydrophobicContact CB-CZ 4.01Å; F257-F356 HydrophobicContact CD1-CE1 4.46Å; F257-F356 AromaticContact CD1-CZ 3.98Å; F257-F356 HydrophobicContact CD1-CZ 3.98Å; F257-F356 HydrophobicContact CD2-CE1 4.37Å; F257-F356 HydrophobicContact CD2-CZ 4.33Å; F257-F356 AromaticContact CG-CE1 3.91Å; F257-F356 HydrophobicContact CG-CE1 3.91Å; F257-F356 AromaticContact CG-CZ 3.84Å; F257-F356 HydrophobicContact CG-CZ 3.84Å; C283-F356 HydrophobicContact CB-CB 4.49Å; C283-F356 HydrophobicContact CB-CD2 4.42Å; N285-F356 HydrophobicContact CB-CE2 3.9Å; F350-F356 HydrophobicContact CE2-CE1 4.2Å; F350-F356 HydrophobicContact CE2-CE2 4.43Å; F350-F356 HydrophobicContact CE2-CZ 4.15Å; F350-F356 WeakPolarHBondContact CE2-O 3.36Å; F350-F356 AromaticContact CZ-CE1 3.84Å; F350-F356 HydrophobicContact CZ-CE1 3.84Å; F350-F356 HydrophobicContact CZ-CE2 4.45Å; F350-F356 AromaticContact CZ-CZ 3.77Å; F350-F356 HydrophobicContact CZ-CZ 3.77Å; M352-F356 WeakPolarHBondContact CG-O 3.36Å; M352-F356 HydrophobicContact SD-CD2 4.05Å; M352-F356 HydrophobicContact SD-CE2 4.29Å
357	R	94.3	Very high	93.7	Very high	115 Å²	115	29.1 Å²	29.1	43%	0.434	16%	0.158	S	C	.	.			trans	-128.8	109	-176.3	178.3	169.3	-176.2	-91.2	-1.5	112.5	F350 G359	F350-R357 HydrophobicContact CB-CG 4.21Å; F350-R357 HydrophobicContact CD1-CG 3.88Å; F350-R357 HydrophobicContact CD2-CB 3.86Å; F350-R357 HydrophobicContact CD2-CG 3.78Å; F350-R357 HydrophobicContact CE1-CG 4.16Å; F350-R357 HydrophobicContact CE2-CB 3.8Å; F350-R357 HydrophobicContact CE2-CG 4.07Å; F350-R357 HydrophobicContact CG-CB 4.28Å; F350-R357 HydrophobicContact CG-CG 3.67Å; F350-R357 HydrophobicContact CZ-CB 4.18Å; F350-R357 HydrophobicContact CZ-CG 4.25Å; R357-G359 PolarHBondContact O-N 2.88Å
358	E	92.4	Very high	93.8	Very high	11 Å²	11	31.2 Å²	31.2	5%	0.051	17%	0.166	C	C	.	.			trans	-76.6	102.9	173.4	-72.3	-66	169.5	0	0	112	K48 A169 A351 S360 L361	K48-E358 VanDerWaalsContact NZ-CD 3.25Å; K48-E358 IonicContact NZ-OE1 3.86Å; K48-E358 PolarHBondContact NZ-OE1 2.92Å; K48-E358 IonicContact NZ-OE2 2.59Å; K48-E358 PolarHBondContact NZ-OE2 3.28Å; A169-E358 WeakPolarHBondContact CB-OE2 3.35Å; A351-E358 HydrophobicContact CB-CB 3.91Å; A351-E358 HydrophobicContact CB-CG 4.08Å; A351-E358 VanDerWaalsContact O-CB 3.24Å; A351-E358 WeakPolarHBondContact O-CB 3.34Å; A351-E358 WeakPolarHBondContact O-CG 3.42Å; A351-E358 PolarHBondContact O-N 2.82Å; E358-S360 VanDerWaalsContact C-N 3.29Å; E358-S360 PolarHBondContact O-N 3.05Å; E358-L361 HydrophobicContact CB-CB 3.98Å; E358-L361 HydrophobicContact CB-CD1 4.45Å; E358-L361 CarbonylContact O-C 3.49Å; E358-L361 PolarHBondContact O-N 3.46Å; E358-L361 VanDerWaalsContact O-N 3.09Å
359	G	89.6	Confident	93.8	Very high	50 Å²	50	33.3 Å²	33.3	52%	0.515	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.1	-173.8	0	0	0	0	0	115.4	R357 V362	R357-G359 PolarHBondContact O-N 2.88Å; G359-V362 WeakPolarHBondContact O-CG2 3.37Å
360	S	89.4	Confident	93.8	Very high	30 Å²	30	38.6 Å²	38.6	21%	0.21	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-16.4	175.5	53.4	0	0	0	0	113.2	A169 E358 N367	A169-S360 VanDerWaalsContact CB-OG 3.31Å; A169-S360 WeakPolarHBondContact CB-OG 3.26Å; E358-S360 VanDerWaalsContact C-N 3.29Å; E358-S360 PolarHBondContact O-N 3.05Å; S360-N367 PolarHBondContact O-ND2 3.07Å
361	L	93.8	Very high	93.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-116.3	42.1	-175.6	-62.5	173.1	0	0	0	111.1	Y170 A173 I322 F350 A351 E358 Y369 M375	Y170-L361 HydrophobicContact CD2-CD2 4.01Å; A173-L361 HydrophobicContact CB-CD1 3.8Å; I322-L361 HydrophobicContact CD1-CD2 4.13Å; F350-L361 CarbonylContact C-O 3.59Å; F350-L361 WeakPolarHBondContact CA-O 3.41Å; A351-L361 HydrophobicContact CB-CB 3.55Å; A351-L361 HydrophobicContact CB-CD1 3.84Å; A351-L361 HydrophobicContact CB-CG 4.36Å; A351-L361 PolarHBondContact N-O 3.05Å; E358-L361 HydrophobicContact CB-CB 3.98Å; E358-L361 HydrophobicContact CB-CD1 4.45Å; E358-L361 CarbonylContact O-C 3.49Å; E358-L361 PolarHBondContact O-N 3.46Å; E358-L361 VanDerWaalsContact O-N 3.09Å; L361-Y369 HydrophobicContact CD2-CD1 4.35Å; L361-Y369 HydrophobicContact CD2-CD2 3.78Å; L361-Y369 HydrophobicContact CD2-CG 3.69Å; L361-M375 HydrophobicContact CD1-CE 3.9Å; L361-M375 HydrophobicContact CD2-CE 4.41Å
362	V	95.6	Very high	93.7	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-82.3	136.1	173.8	-179.9	0	0	0	0	109.7	N347 F350 G359 N364 N367	N347-V362 HydrophobicContact CB-CG1 3.85Å; F350-V362 HydrophobicContact CB-CG2 4.24Å; G359-V362 WeakPolarHBondContact O-CG2 3.37Å; V362-N364 PolarHBondContact O-N 3.41Å; V362-N364 VanDerWaalsContact O-N 3.09Å; V362-N367 PolarHBondContact N-ND2 3.23Å; V362-N367 PolarHBondContact O-ND2 3.12Å
363	L	94.7	Very high	93.6	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	23%	0.232	C	C	.	.			trans	-76	94.6	176.7	-77.7	64.4	0	0	0	110	L312 L316 I322 N347 L348 G349 L377	L312-L363 HydrophobicContact CD1-CD2 4.32Å; L316-L363 HydrophobicContact CD2-CD2 3.95Å; I322-L363 HydrophobicContact CG2-CB 4.25Å; I322-L363 HydrophobicContact CG2-CD1 4.48Å; I322-L363 HydrophobicContact CG2-CG 4.07Å; N347-L363 WeakPolarHBondContact CA-O 3.13Å; L348-L363 HydrophobicContact CB-CB 4.25Å; L348-L363 PolarHBondContact N-O 2.97Å; G349-L363 PolarHBondContact O-N 3.23Å; L363-L377 HydrophobicContact CD1-CD1 4.4Å; L363-L377 HydrophobicContact CD1-CD2 3.93Å
364	N	93.7	Very high	93.5	Very high	37 Å²	37	46.9 Å²	46.9	20%	0.198	23%	0.234	C	C	.	.	S	Bend	trans	-148.8	167.5	178.4	67	49.6	0	0	0	111.5	Y326 V362 K366 N367	Y326-N364 VanDerWaalsContact CD2-CA 3.5Å; V362-N364 PolarHBondContact O-N 3.41Å; V362-N364 VanDerWaalsContact O-N 3.09Å; N364-K366 PolarHBondContact O-N 2.94Å; N364-K366 PolarHBondContact OD1-N 2.95Å; N364-N367 PolarHBondContact O-N 2.86Å; N364-N367 PolarHBondContact OD1-N 2.82Å
365	A	92.4	Very high	93.6	Very high	49 Å²	49	46.6 Å²	46.6	41%	0.405	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.6	-177.7	0	0	0	0	0	115.7	C323 Y326	C323-A365 WeakPolarHBondContact CB-O 3.47Å; Y326-A365 HydrophobicContact CD1-CB 3.71Å; Y326-A365 HydrophobicContact CE1-CB 3.68Å
366	K	93.1	Very high	93.8	Very high	186 Å²	186	45.7 Å²	45.7	81%	0.809	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-14.2	-173.7	-60.5	-177.5	-178.8	-177.7	0	113.1	N364 Q368	N364-K366 PolarHBondContact O-N 2.94Å; N364-K366 PolarHBondContact OD1-N 2.95Å; K366-Q368 PolarHBondContact O-N 3.24Å
367	N	92.4	Very high	93.9	Very high	14 Å²	14	45.1 Å²	45.1	8%	0.075	23%	0.225	C	C	.	.			trans	-84.4	114.4	-166.2	-162.8	-24.4	0	0	0	112.7	I322 C323 S360 V362 N364 Y369	I322-N367 HydrophobicContact CB-CB 3.93Å; I322-N367 HydrophobicContact CG2-CB 3.67Å; C323-N367 VanDerWaalsContact CB-O 3.25Å; C323-N367 WeakPolarHBondContact CB-O 3.07Å; C323-N367 PolarHBondContact N-O 2.82Å; C323-N367 PolarHBondContact SG-O 2.98Å; S360-N367 PolarHBondContact O-ND2 3.07Å; V362-N367 PolarHBondContact N-ND2 3.23Å; V362-N367 PolarHBondContact O-ND2 3.12Å; N364-N367 PolarHBondContact O-N 2.86Å; N364-N367 PolarHBondContact OD1-N 2.82Å; N367-Y369 VanDerWaalsContact OD1-CD2 3.3Å; N367-Y369 WeakPolarHBondContact OD1-CD2 3.36Å; N367-Y369 PolarHBondContact OD1-N 3Å; N367-Y369 VanDerWaalsContact OD1-N 3.13Å
368	Q	93.3	Very high	94	Very high	109 Å²	109	39.6 Å²	39.6	51%	0.509	21%	0.205	S	C	.	.			trans	-90.6	-4.8	-176.5	-65.4	-62.9	-45.2	0	0	114.2	C323 K366	C323-Q368 PolarHBondContact SG-NE2 3.17Å; K366-Q368 PolarHBondContact O-N 3.24Å
369	Y	94.3	Very high	94.2	Very high	45 Å²	45	39.1 Å²	39.1	18%	0.176	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-63.1	144.1	178.4	-77.3	-74.8	0	0	0	111.1	Y170 K321 I322 L361 N367	Y170-Y369 AromaticContact CD1-CD1 3.9Å; Y170-Y369 HydrophobicContact CD1-CD1 3.9Å; Y170-Y369 AromaticContact CD1-CE1 3.87Å; Y170-Y369 HydrophobicContact CD1-CE1 3.87Å; Y170-Y369 AromaticContact CD2-CD1 3.61Å; Y170-Y369 HydrophobicContact CD2-CD1 3.61Å; Y170-Y369 HydrophobicContact CD2-CE1 4.13Å; Y170-Y369 HydrophobicContact CD2-CG 4.28Å; Y170-Y369 HydrophobicContact CE1-CD1 4.03Å; Y170-Y369 HydrophobicContact CE1-CE1 4.35Å; Y170-Y369 AromaticContact CE2-CD1 3.78Å; Y170-Y369 HydrophobicContact CE2-CD1 3.78Å; Y170-Y369 HydrophobicContact CE2-CG 4.4Å; Y170-Y369 AromaticContact CG-CD1 3.67Å; Y170-Y369 HydrophobicContact CG-CD1 3.67Å; Y170-Y369 AromaticContact CG-CE1 3.72Å; Y170-Y369 HydrophobicContact CG-CE1 3.72Å; Y170-Y369 AromaticContact CZ-CD1 3.95Å; K321-Y369 WeakPolarHBondContact CA-O 3.48Å; I322-Y369 WeakPolarHBondContact CG1-O 3.31Å; I322-Y369 PolarHBondContact N-O 3.26Å; L361-Y369 HydrophobicContact CD2-CD1 4.35Å; L361-Y369 HydrophobicContact CD2-CD2 3.78Å; L361-Y369 HydrophobicContact CD2-CG 3.69Å; N367-Y369 VanDerWaalsContact OD1-CD2 3.3Å; N367-Y369 WeakPolarHBondContact OD1-CD2 3.36Å; N367-Y369 PolarHBondContact OD1-N 3Å; N367-Y369 VanDerWaalsContact OD1-N 3.13Å
370	K	94.6	Very high	94.4	Very high	110 Å²	110	37.1 Å²	37.1	48%	0.478	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-90.8	139.1	176.3	-66.9	-175.3	177.5	-172.9	0	110.6	Y170 V320 K321	Y170-K370 WeakPolarHBondContact CE2-O 3.34Å; Y170-K370 PolarHBondContact OH-O 3.11Å; Y170-K370 VanDerWaalsContact OH-O 3.08Å; V320-K370 WeakPolarHBondContact O-CA 3.17Å; K321-K370 HydrophobicContact CG-CG 4.09Å
371	L	94.9	Very high	94.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-70.6	140.6	172.9	-65.5	173.2	0	0	0	110.4	L316 K317 H318 G319 V320 I322 L377 I408	L316-L371 HydrophobicContact CB-CD1 4.44Å; L316-L371 HydrophobicContact CD2-CD1 3.49Å; L316-L371 VanDerWaalsContact CD2-CD1 3.49Å; K317-L371 WeakPolarHBondContact O-CB 2.95Å; H318-L371 PolarHBondContact ND1-O 3.33Å; H318-L371 VanDerWaalsContact ND1-O 3.13Å; G319-L371 PolarHBondContact N-O 3.31Å; V320-L371 PolarHBondContact O-N 3.23Å; I322-L371 HydrophobicContact CD1-CD2 4.3Å; I322-L371 HydrophobicContact CG1-CD2 3.82Å; I322-L371 HydrophobicContact CG1-CG 4.11Å; L371-L377 HydrophobicContact CD2-CD1 4.1Å; L371-L377 HydrophobicContact CD2-CD2 4.47Å; L371-I408 HydrophobicContact CD1-CD1 4.37Å
372	K	94.6	Very high	94.7	Very high	72 Å²	72	35.8 Å²	35.8	31%	0.313	17%	0.171	S	C	.	.			trans	-123.6	142.9	180	-71	178.1	174.5	167.3	0	110.2	Y170 V174 H318 G374 M375 I408	Y170-K372 HydrophobicContact CE2-CD 4.48Å; Y170-K372 WeakPolarHBondContact OH-CE 3.36Å; V174-K372 HydrophobicContact CG2-CB 3.54Å; V174-K372 HydrophobicContact CG2-CD 3.9Å; V174-K372 HydrophobicContact CG2-CG 4.37Å; H318-K372 WeakPolarHBondContact ND1-CA 3.39Å; K372-G374 PolarHBondContact O-N 2.97Å; K372-M375 HydrophobicContact CB-CG 4.07Å; K372-M375 HydrophobicContact CB-SD 3.84Å; K372-M375 PolarHBondContact N-SD 3.31Å; K372-M375 VanDerWaalsContact O-CB 3.29Å; K372-M375 WeakPolarHBondContact O-CB 3.41Å; K372-M375 VanDerWaalsContact O-CG 3.28Å; K372-M375 WeakPolarHBondContact O-CG 3.46Å; K372-M375 PolarHBondContact O-N 2.86Å; K372-I408 WeakPolarHBondContact O-CB 3.26Å; K372-I408 WeakPolarHBondContact O-CG2 3.41Å
373	K	94.9	Very high	94.6	Very high	106 Å²	106	35.6 Å²	35.6	46%	0.461	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	135.5	169.3	178.4	-175.4	-174.5	174.1	0	110.1	V174 M375 E410	V174-K373 WeakPolarHBondContact CG1-O 3.28Å; K373-M375 VanDerWaalsContact C-N 3.28Å; K373-M375 PolarHBondContact O-N 2.8Å; K373-E410 HydrophobicContact CD-CB 4.04Å; K373-E410 HydrophobicContact CD-CG 4.42Å; K373-E410 WeakPolarHBondContact CD-OE2 3.33Å; K373-E410 WeakPolarHBondContact CE-OE2 3.46Å; K373-E410 IonicContact NZ-OE2 3.94Å; K373-E410 PolarHBondContact NZ-OE2 3.41Å
374	G	92.8	Very high	94.5	Very high	5 Å²	5	37.1 Å²	37.1	5%	0.052	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	3.3	-179.5	0	0	0	0	0	114.5	K175 K372 I408	K175-G374 WeakPolarHBondContact CB-O 3.4Å; K175-G374 PolarHBondContact N-O 2.62Å; K372-G374 PolarHBondContact O-N 2.97Å; G374-I408 PolarHBondContact N-O 2.99Å
375	M	96.5	Very high	94.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-69.8	142.6	162.6	-70.6	178.3	76.9	0	0	109.6	A173 V174 A351 L361 K372 K373 I408	A173-M375 HydrophobicContact CB-CE 3.54Å; A173-M375 HydrophobicContact CB-CG 4Å; A173-M375 HydrophobicContact CB-SD 4.18Å; V174-M375 HydrophobicContact CG2-CG 4.07Å; A351-M375 HydrophobicContact CB-CE 4.49Å; L361-M375 HydrophobicContact CD1-CE 3.9Å; L361-M375 HydrophobicContact CD2-CE 4.41Å; K372-M375 HydrophobicContact CB-CG 4.07Å; K372-M375 HydrophobicContact CB-SD 3.84Å; K372-M375 PolarHBondContact N-SD 3.31Å; K372-M375 VanDerWaalsContact O-CB 3.29Å; K372-M375 WeakPolarHBondContact O-CB 3.41Å; K372-M375 VanDerWaalsContact O-CG 3.28Å; K372-M375 WeakPolarHBondContact O-CG 3.46Å; K372-M375 PolarHBondContact O-N 2.86Å; K373-M375 VanDerWaalsContact C-N 3.28Å; K373-M375 PolarHBondContact O-N 2.8Å; M375-I408 HydrophobicContact CB-CB 4.4Å; M375-I408 HydrophobicContact CB-CG1 4.08Å; M375-I408 PolarHBondContact O-N 3.32Å
376	V	97.3	Very high	94.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.3	173.2	-179.4	0	0	0	0	108.6	K175 L180 M183 A351 M352 T405 V406 L417	K175-V376 HydrophobicContact CG-CG2 4.04Å; L180-V376 HydrophobicContact CD2-CG2 3.55Å; M183-V376 HydrophobicContact CE-CB 3.74Å; M183-V376 HydrophobicContact CE-CG1 3.4Å; M183-V376 HydrophobicContact CE-CG2 4.3Å; M183-V376 HydrophobicContact SD-CB 3.82Å; M183-V376 HydrophobicContact SD-CG1 4Å; M183-V376 HydrophobicContact SD-CG2 3.77Å; A351-V376 WeakPolarHBondContact CA-O 3.36Å; M352-V376 PolarHBondContact N-O 2.9Å; V376-T405 HydrophobicContact CG1-CG2 3.61Å; V376-V406 CarbonylContact C-O 3.57Å; V376-V406 VanDerWaalsContact CA-O 3.3Å; V376-V406 WeakPolarHBondContact CA-O 3.4Å; V376-V406 WeakPolarHBondContact CG1-O 3.09Å; V376-L417 HydrophobicContact CG1-CD1 4.47Å
377	L	97	Very high	93.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.7	-179.1	-57.5	167.9	0	0	0	109	L316 F350 A351 L363 L371 V406 I408	L316-L377 HydrophobicContact CD1-CD1 4Å; L316-L377 HydrophobicContact CD2-CD1 3.86Å; L316-L377 HydrophobicContact CG-CD1 4.47Å; F350-L377 CarbonylContact O-C 3.6Å; F350-L377 WeakPolarHBondContact O-CA 3.22Å; A351-L377 HydrophobicContact CB-CD2 3.71Å; L363-L377 HydrophobicContact CD1-CD1 4.4Å; L363-L377 HydrophobicContact CD1-CD2 3.93Å; L371-L377 HydrophobicContact CD2-CD1 4.1Å; L371-L377 HydrophobicContact CD2-CD2 4.47Å; L377-V406 HydrophobicContact CB-CG2 3.88Å; L377-V406 PolarHBondContact N-O 2.81Å; L377-V406 PolarHBondContact O-N 3.27Å; L377-I408 HydrophobicContact CD1-CD1 3.64Å; L377-I408 HydrophobicContact CD1-CG1 4.05Å; L377-I408 HydrophobicContact CG-CG1 4.47Å
378	S	97.1	Very high	93.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.8	155.3	177.6	0	0	0	0	107.4	N285 G349 F350 D404	N285-S378 WeakPolarHBondContact CB-OG 3.43Å; N285-S378 PolarHBondContact ND2-OG 2.86Å; G349-S378 CarbonylContact C-O 3.46Å; G349-S378 WeakPolarHBondContact CA-O 3.42Å; F350-S378 PolarHBondContact N-O 3.13Å; F350-S378 PolarHBondContact O-N 2.95Å; S378-D404 WeakPolarHBondContact CA-O 3.4Å
379	I	95.9	Very high	92.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.8	167.9	59.8	176.3	0	0	0	108.2	E309 L312 L313 L316 G403 D404 V406	E309-I379 HydrophobicContact CG-CD1 3.71Å; E309-I379 WeakPolarHBondContact OE1-CD1 3.34Å; L312-I379 HydrophobicContact CD2-CB 4.09Å; L312-I379 HydrophobicContact CD2-CG2 3.84Å; L313-I379 HydrophobicContact CD2-CD1 3.69Å; L313-I379 HydrophobicContact CG-CD1 4.25Å; L316-I379 HydrophobicContact CD1-CG2 3.75Å; I379-G403 CarbonylContact O-C 3.57Å; I379-G403 WeakPolarHBondContact O-CA 3.42Å; I379-D404 HydrophobicContact CD1-CB 4.22Å; I379-D404 HydrophobicContact CG1-CB 4.03Å; I379-D404 WeakPolarHBondContact CG1-O 3.12Å; I379-D404 PolarHBondContact N-O 2.78Å; I379-D404 PolarHBondContact O-N 3.02Å; I379-V406 HydrophobicContact CD1-CG1 3.67Å; I379-V406 HydrophobicContact CG1-CG1 3.9Å; I379-V406 HydrophobicContact CG2-CG1 4.49Å; I379-V406 HydrophobicContact CG2-CG2 3.8Å
380	S	93.8	Very high	91.4	Very high	8 Å²	8	39.2 Å²	39.2	6%	0.056	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	110.3	-178.7	64.6	0	0	0	0	109.1	L348 L402	L348-S380 CarbonylContact C-O 3.13Å; L348-S380 VanDerWaalsContact C-O 3.25Å; L348-S380 WeakPolarHBondContact CA-O 3.38Å; L348-S380 PolarHBondContact O-N 3.37Å; S380-L402 CarbonylContact C-O 3.59Å; S380-L402 WeakPolarHBondContact CA-O 2.99Å
381	L	94.6	Very high	90.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.8	-174.2	-65.6	160.2	0	0	0	108.3	L305 V308 E309 L312 L348 F401 L402	L305-L381 HydrophobicContact CD1-CB 3.87Å; V308-L381 HydrophobicContact CG1-CD1 4.48Å; V308-L381 HydrophobicContact CG1-CD2 4.35Å; E309-L381 HydrophobicContact CB-CD1 3.5Å; E309-L381 HydrophobicContact CG-CD1 3.79Å; L312-L381 HydrophobicContact CD2-CD1 3.99Å; L312-L381 HydrophobicContact CD2-CD2 4.25Å; L312-L381 HydrophobicContact CD2-CG 4.3Å; L348-L381 HydrophobicContact CB-CD2 3.76Å; L348-L381 HydrophobicContact CD1-CD2 4.43Å; L348-L381 HydrophobicContact CD2-CD2 3.38Å; L348-L381 HydrophobicContact CG-CD2 3.99Å; L381-F401 VanDerWaalsContact O-CD2 3.31Å; L381-F401 WeakPolarHBondContact O-CD2 3.38Å; L381-L402 PolarHBondContact N-O 2.67Å; L381-L402 PolarHBondContact O-N 3.11Å; L381-L402 VanDerWaalsContact O-O 3.09Å
382	G	94.5	Very high	88.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158.4	175.7	0	0	0	0	0	114.1	L344 T345 L400	L344-G382 CarbonylContact C-O 3.57Å; L344-G382 WeakPolarHBondContact CA-O 3.19Å; T345-G382 PolarHBondContact N-O 3.02Å; T345-G382 PolarHBondContact OG1-N 3.2Å; T345-G382 VanDerWaalsContact OG1-N 3.17Å; G382-L400 CarbonylContact C-O 3.59Å; G382-L400 WeakPolarHBondContact CA-O 3.25Å
383	L	94.8	Very high	86.9	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.3	173.3	-63	171	0	0	0	107.5	N301 L305 L340 K343 L344 L386 A399 L400	N301-L383 HydrophobicContact CB-CD1 4.49Å; L305-L383 HydrophobicContact CD1-CG 4.32Å; L340-L383 HydrophobicContact CB-CD2 4.18Å; L340-L383 HydrophobicContact CD1-CD1 4.12Å; K343-L383 HydrophobicContact CB-CD2 4.31Å; K343-L383 WeakPolarHBondContact O-CA 3.4Å; L344-L383 HydrophobicContact CB-CD2 4.29Å; L344-L383 HydrophobicContact CD1-CD2 4Å; L383-L386 HydrophobicContact CB-CD1 3.76Å; L383-L386 HydrophobicContact CB-CD2 4.36Å; L383-L386 HydrophobicContact CB-CG 4.17Å; L383-L386 HydrophobicContact CD1-CD1 4.28Å; L383-A399 CarbonylContact O-C 3.48Å; L383-A399 WeakPolarHBondContact O-CA 3.33Å; L383-A399 WeakPolarHBondContact O-CB 3.28Å; L383-L400 PolarHBondContact N-O 3.38Å; L383-L400 PolarHBondContact O-N 3.18Å
384	S	91.8	Very high	84.9	Confident	35 Å²	35	52.9 Å²	52.9	25%	0.245	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	164.9	175.6	72.1	0	0	0	0	111.6	K343 L386	K343-S384 WeakPolarHBondContact CB-O 3.38Å; K343-S384 WeakPolarHBondContact CD-O 3.49Å; K343-S384 PolarHBondContact O-N 3.25Å; S384-L386 VanDerWaalsContact C-N 3.27Å; S384-L386 PolarHBondContact O-N 3.32Å
385	D	88.9	Confident	83.5	Confident	85 Å²	85	56 Å²	56	46%	0.455	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.5	36.8	172.5	-54.3	-73.5	0	0	0	114.1	K343	K343-D385 HydrophobicContact CD-CB 4.26Å; K343-D385 PolarHBondContact NZ-O 3.39Å
386	L	89.6	Confident	82.3	Confident	11 Å²	11	60 Å²	60	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	150.5	170.9	-59.9	179.3	0	0	0	109.7	N301 L340 K343 L383 S384 K397 Y398 L400	N301-L386 HydrophobicContact CB-CD1 4.37Å; L340-L386 HydrophobicContact CD2-CD2 3.78Å; K343-L386 HydrophobicContact CB-CD2 4.39Å; K343-L386 HydrophobicContact CG-CD2 4.32Å; L383-L386 HydrophobicContact CB-CD1 3.76Å; L383-L386 HydrophobicContact CB-CD2 4.36Å; L383-L386 HydrophobicContact CB-CG 4.17Å; L383-L386 HydrophobicContact CD1-CD1 4.28Å; S384-L386 VanDerWaalsContact C-N 3.27Å; S384-L386 PolarHBondContact O-N 3.32Å; L386-K397 CarbonylContact O-C 3.54Å; L386-K397 VanDerWaalsContact O-CA 3.28Å; L386-K397 WeakPolarHBondContact O-CA 3.46Å; L386-Y398 HydrophobicContact CB-CD1 3.85Å; L386-Y398 HydrophobicContact CB-CD2 4.05Å; L386-Y398 HydrophobicContact CB-CE1 3.52Å; L386-Y398 HydrophobicContact CB-CE2 3.72Å; L386-Y398 HydrophobicContact CB-CG 4.1Å; L386-Y398 VanDerWaalsContact CB-CZ 3.44Å; L386-Y398 HydrophobicContact CD1-CD2 4.07Å; L386-Y398 HydrophobicContact CD1-CE2 3.36Å; L386-Y398 HydrophobicContact CG-CE2 4.18Å; L386-Y398 PolarHBondContact N-O 2.74Å; L386-Y398 PolarHBondContact O-N 2.79Å; L386-L400 HydrophobicContact CD1-CD1 4.16Å; L386-L400 HydrophobicContact CD1-CG 4.25Å
387	I	87.3	Confident	81.9	Confident	86 Å²	86	65.4 Å²	65.4	44%	0.441	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.9	-174.9	-59.3	178.8	0	0	0	109	Q396	I387-Q396 CarbonylContact C-O 3.58Å; I387-Q396 WeakPolarHBondContact CA-O 3.44Å; I387-Q396 HydrophobicContact CG2-CG 3.86Å
388	N	82.8	Confident	81.7	Confident	26 Å²	26	65.8 Å²	65.8	14%	0.139	32%	0.317	C	S	.	.			trans	-87	117.3	167.4	-169.9	1.7	0	0	0	108.6	D390 A391 Q396 Y398	N388-D390 VanDerWaalsContact C-N 3.29Å; N388-D390 PolarHBondContact OD1-N 2.94Å; N388-A391 HydrophobicContact CB-CB 4.08Å; N388-Q396 PolarHBondContact N-O 3.02Å; N388-Q396 VanDerWaalsContact O-CG 3.3Å; N388-Q396 WeakPolarHBondContact O-CG 3.28Å; N388-Y398 HydrophobicContact CB-CD1 3.97Å; N388-Y398 HydrophobicContact CB-CE1 4.12Å
389	K	77.2	Confident	81.6	Confident	141 Å²	141	65.8 Å²	65.8	61%	0.613	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-23.1	-176.3	-65.2	173.2	-167.6	122.9	0	112.4	E297	E297-K389 IonicContact OE1-NZ 2.84Å; E297-K389 PolarHBondContact OE1-NZ 3.45Å; E297-K389 IonicContact OE2-NZ 3.8Å; E297-K389 PolarHBondContact OE2-NZ 3.26Å
390	D	69.4	Low	81.6	Confident	135 Å²	135	65.7 Å²	65.7	72%	0.722	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.9	-171.6	-53.1	-40.1	0	0	0	113	N388	N388-D390 VanDerWaalsContact C-N 3.29Å; N388-D390 PolarHBondContact OD1-N 2.94Å
391	A	67.9	Low	81.7	Confident	28 Å²	28	65.7 Å²	65.7	23%	0.231	32%	0.316	C	S	.	.	S	Bend	trans	-96.4	156.3	-174	0	0	0	0	0	113.5	N388 E395	N388-A391 HydrophobicContact CB-CB 4.08Å; A391-E395 HydrophobicContact CB-CB 3.67Å; A391-E395 WeakPolarHBondContact CB-O 3.45Å
392	K	65.3	Low	81.8	Confident	165 Å²	165	65.7 Å²	65.7	72%	0.717	32%	0.316	S	S	*	.			trans	-66.6	162.9	177.4	-66.9	172.3	-176.1	164.4	0	110.6	E394 E395 Q396	K392-E394 PolarHBondContact O-N 2.66Å; K392-E395 WeakPolarHBondContact CB-OE2 3.46Å; K392-E395 PolarHBondContact N-OE2 2.89Å; K392-E395 CarbonylContact O-C 3.57Å; K392-E395 WeakPolarHBondContact O-CA 3.47Å; K392-E395 WeakPolarHBondContact O-CB 3.48Å; K392-E395 PolarHBondContact O-N 2.86Å; K392-Q396 PolarHBondContact O-N 3.29Å
393	K	56.2	Low	81.8	Confident	200 Å²	200	65.8 Å²	65.8	87%	0.87	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-28.2	-171.5	-92.5	-178.3	177	175.5	0	116
394	E	53.5	Low	81.9	Confident	182 Å²	182	65.7 Å²	65.7	85%	0.85	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.2	178	-67.9	-178	163.4	0	0	113.1	K392	K392-E394 PolarHBondContact O-N 2.66Å
395	E	61.4	Low	82.2	Confident	69 Å²	69	64 Å²	64	32%	0.322	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	2.6	-172.6	-55	174.2	149.8	0	0	111.9	H267 A391 K392 K397	H267-E395 IonicContact CD2-OE1 3.05Å; H267-E395 IonicContact CE1-OE1 3.16Å; H267-E395 WeakPolarHBondContact NE2-CG 3.2Å; H267-E395 IonicContact NE2-OE1 2.6Å; H267-E395 PolarHBondContact NE2-OE1 2.79Å; A391-E395 HydrophobicContact CB-CB 3.67Å; A391-E395 WeakPolarHBondContact CB-O 3.45Å; K392-E395 WeakPolarHBondContact CB-OE2 3.46Å; K392-E395 PolarHBondContact N-OE2 2.89Å; K392-E395 CarbonylContact O-C 3.57Å; K392-E395 WeakPolarHBondContact O-CA 3.47Å; K392-E395 WeakPolarHBondContact O-CB 3.48Å; K392-E395 PolarHBondContact O-N 2.86Å; E395-K397 PolarHBondContact O-N 2.86Å
396	Q	73.3	Confident	82.6	Confident	87 Å²	87	60 Å²	60	41%	0.407	28%	0.283	S	S	.	.	S	Bend	trans	-69.5	-21.3	-170.4	-150.2	-170	-1.9	0	0	112.7	I387 N388 K392	I387-Q396 CarbonylContact C-O 3.58Å; I387-Q396 WeakPolarHBondContact CA-O 3.44Å; I387-Q396 HydrophobicContact CG2-CG 3.86Å; N388-Q396 PolarHBondContact N-O 3.02Å; N388-Q396 VanDerWaalsContact O-CG 3.3Å; N388-Q396 WeakPolarHBondContact O-CG 3.28Å; K392-Q396 PolarHBondContact O-N 3.29Å
397	K	87.9	Confident	82.9	Confident	113 Å²	113	60.8 Å²	60.8	49%	0.491	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.4	-178.7	-68.9	-174.4	-179.2	-176.6	0	111.5	G251 L386 E395	G251-K397 VanDerWaalsContact CA-O 3.3Å; G251-K397 WeakPolarHBondContact CA-O 3.3Å; L386-K397 CarbonylContact O-C 3.54Å; L386-K397 VanDerWaalsContact O-CA 3.28Å; L386-K397 WeakPolarHBondContact O-CA 3.46Å; E395-K397 PolarHBondContact O-N 2.86Å
398	Y	92.5	Very high	83.3	Confident	7 Å²	7	56.7 Å²	56.7	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	164.5	172.9	72.5	-83	0	0	0	111.6	A270 M298 N301 L386 N388 L400	A270-Y398 HydrophobicContact CB-CD2 4.48Å; M298-Y398 HydrophobicContact CB-CE2 4.27Å; M298-Y398 HydrophobicContact CE-CD1 4.04Å; M298-Y398 HydrophobicContact CE-CD2 3.86Å; M298-Y398 HydrophobicContact CE-CE1 4.29Å; M298-Y398 HydrophobicContact CE-CE2 4.13Å; M298-Y398 HydrophobicContact CE-CG 3.81Å; M298-Y398 HydrophobicContact CG-CD2 4.15Å; M298-Y398 HydrophobicContact CG-CE2 3.71Å; M298-Y398 HydrophobicContact SD-CD2 4.37Å; M298-Y398 HydrophobicContact SD-CE2 4.49Å; N301-Y398 PolarHBondContact ND2-OH 3.41Å; L386-Y398 HydrophobicContact CB-CD1 3.85Å; L386-Y398 HydrophobicContact CB-CD2 4.05Å; L386-Y398 HydrophobicContact CB-CE1 3.52Å; L386-Y398 HydrophobicContact CB-CE2 3.72Å; L386-Y398 HydrophobicContact CB-CG 4.1Å; L386-Y398 VanDerWaalsContact CB-CZ 3.44Å; L386-Y398 HydrophobicContact CD1-CD2 4.07Å; L386-Y398 HydrophobicContact CD1-CE2 3.36Å; L386-Y398 HydrophobicContact CG-CE2 4.18Å; L386-Y398 PolarHBondContact N-O 2.74Å; L386-Y398 PolarHBondContact O-N 2.79Å; N388-Y398 HydrophobicContact CB-CD1 3.97Å; N388-Y398 HydrophobicContact CB-CE1 4.12Å; Y398-L400 HydrophobicContact CD2-CD2 4.11Å; Y398-L400 HydrophobicContact CD2-CG 4.15Å; Y398-L400 HydrophobicContact CE2-CD1 4.16Å; Y398-L400 HydrophobicContact CE2-CD2 4.18Å; Y398-L400 HydrophobicContact CE2-CG 3.98Å
399	A	94.8	Very high	83.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150	171.6	0	0	0	0	0	109.7	Y253 L255 L383	Y253-A399 HydrophobicContact CD1-CB 3.78Å; Y253-A399 HydrophobicContact CD2-CB 3.73Å; Y253-A399 HydrophobicContact CE1-CB 4.41Å; Y253-A399 HydrophobicContact CE2-CB 4.39Å; Y253-A399 HydrophobicContact CG-CB 3.38Å; L255-A399 HydrophobicContact CD1-CB 4.43Å; L255-A399 HydrophobicContact CD2-CB 4.16Å; L383-A399 CarbonylContact O-C 3.48Å; L383-A399 WeakPolarHBondContact O-CA 3.33Å; L383-A399 WeakPolarHBondContact O-CB 3.28Å
400	L	95.9	Very high	83.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.5	174.5	-58.2	176.2	0	0	0	107.5	T289 M291 M298 N301 Y302 L305 G382 L383 L386 Y398	T289-L400 HydrophobicContact CG2-CD2 4.01Å; M291-L400 HydrophobicContact SD-CD2 4.12Å; M298-L400 HydrophobicContact CG-CD2 4.3Å; N301-L400 HydrophobicContact CB-CD1 3.84Å; Y302-L400 HydrophobicContact CD2-CD1 4.42Å; Y302-L400 HydrophobicContact CD2-CD2 4.22Å; L305-L400 HydrophobicContact CD2-CB 3.83Å; G382-L400 CarbonylContact C-O 3.59Å; G382-L400 WeakPolarHBondContact CA-O 3.25Å; L383-L400 PolarHBondContact N-O 3.38Å; L383-L400 PolarHBondContact O-N 3.18Å; L386-L400 HydrophobicContact CD1-CD1 4.16Å; L386-L400 HydrophobicContact CD1-CG 4.25Å; Y398-L400 HydrophobicContact CD2-CD2 4.11Å; Y398-L400 HydrophobicContact CD2-CG 4.15Å; Y398-L400 HydrophobicContact CE2-CD1 4.16Å; Y398-L400 HydrophobicContact CE2-CD2 4.18Å; Y398-L400 HydrophobicContact CE2-CG 3.98Å
401	F	96.5	Very high	84	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.035	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.5	-179.5	-160.4	-153.9	0	0	0	111.1	L255 F257 T272 V287 R288 T289 T345 L381	L255-F401 HydrophobicContact CB-CD1 4.22Å; L255-F401 HydrophobicContact CB-CD2 4.22Å; L255-F401 HydrophobicContact CB-CE1 4.2Å; L255-F401 HydrophobicContact CB-CE2 4.19Å; L255-F401 HydrophobicContact CB-CG 4.27Å; L255-F401 HydrophobicContact CB-CZ 4.19Å; L255-F401 HydrophobicContact CD1-CB 4.34Å; L255-F401 HydrophobicContact CD1-CD2 4.16Å; L255-F401 HydrophobicContact CD1-CG 4.25Å; L255-F401 HydrophobicContact CD2-CB 3.82Å; L255-F401 HydrophobicContact CD2-CD1 3.86Å; L255-F401 HydrophobicContact CD2-CD2 4.48Å; L255-F401 HydrophobicContact CD2-CG 3.82Å; L255-F401 HydrophobicContact CG-CG 4.33Å; F257-F401 HydrophobicContact CE1-CE1 4.31Å; F257-F401 HydrophobicContact CE1-CZ 4.41Å; F257-F401 HydrophobicContact CE2-CZ 4.27Å; F257-F401 HydrophobicContact CZ-CE1 4.17Å; F257-F401 AromaticContact CZ-CZ 3.83Å; F257-F401 HydrophobicContact CZ-CZ 3.83Å; T272-F401 HydrophobicContact CG2-CB 3.97Å; V287-F401 HydrophobicContact CG1-CB 3.95Å; V287-F401 HydrophobicContact CG1-CD1 3.33Å; V287-F401 HydrophobicContact CG1-CD2 4.34Å; V287-F401 HydrophobicContact CG1-CE1 3.83Å; V287-F401 HydrophobicContact CG1-CG 3.61Å; V287-F401 HydrophobicContact CG2-CE1 4.26Å; R288-F401 CarbonylContact C-O 3.58Å; T289-F401 PolarHBondContact N-O 3.14Å; T289-F401 PolarHBondContact OG1-N 3.25Å; T289-F401 PolarHBondContact OG1-O 3.4Å; T345-F401 HydrophobicContact CG2-CE2 4.42Å; L381-F401 VanDerWaalsContact O-CD2 3.31Å; L381-F401 WeakPolarHBondContact O-CD2 3.38Å
402	L	95.6	Very high	84.7	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	144.3	-175.4	-168.3	140.9	0	0	0	109.7	Y302 L305 L306 E309 S380 L381 K422	Y302-L402 HydrophobicContact CE2-CD1 4.33Å; L305-L402 HydrophobicContact CD2-CB 4.12Å; L305-L402 HydrophobicContact CG-CB 4.5Å; L306-L402 HydrophobicContact CD2-CD1 3.42Å; L306-L402 VanDerWaalsContact CD2-CD1 3.42Å; L306-L402 HydrophobicContact CG-CD1 4.42Å; E309-L402 HydrophobicContact CB-CD2 4.4Å; E309-L402 HydrophobicContact CG-CD2 4.01Å; E309-L402 WeakPolarHBondContact OE1-CD2 3.41Å; E309-L402 WeakPolarHBondContact OE2-CD2 3.39Å; S380-L402 CarbonylContact C-O 3.59Å; S380-L402 WeakPolarHBondContact CA-O 2.99Å; L381-L402 PolarHBondContact N-O 2.67Å; L381-L402 PolarHBondContact O-N 3.11Å; L381-L402 VanDerWaalsContact O-O 3.09Å; L402-K422 HydrophobicContact CD1-CB 4.31Å; L402-K422 HydrophobicContact CD1-CD 4.14Å; L402-K422 HydrophobicContact CD2-CD 4.39Å
403	G	95.9	Very high	85.6	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	147.8	-179.2	0	0	0	0	0	113.3	V287 R288 I379	V287-G403 PolarHBondContact N-O 2.92Å; V287-G403 PolarHBondContact O-N 2.89Å; R288-G403 PolarHBondContact NH1-O 3.3Å; I379-G403 CarbonylContact O-C 3.57Å; I379-G403 WeakPolarHBondContact O-CA 3.42Å
404	D	97.2	Very high	87.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159.2	-172	-81.1	-75.7	0	0	0	110	R288 S378 I379 V406 I416 T418 K422	R288-D404 IonicContact CZ-OD1 3.18Å; R288-D404 IonicContact CZ-OD2 3.73Å; R288-D404 IonicContact NH1-OD1 3.15Å; R288-D404 PolarHBondContact NH1-OD1 3.4Å; R288-D404 IonicContact NH1-OD2 2.73Å; R288-D404 PolarHBondContact NH1-OD2 2.78Å; R288-D404 IonicContact NH2-OD1 3.16Å; R288-D404 PolarHBondContact NH2-OD1 3.09Å; R288-D404 IonicContact NH2-OD2 2.87Å; R288-D404 PolarHBondContact NH2-OD2 2.88Å; R288-D404 VanDerWaalsContact NH2-OD2 3.11Å; S378-D404 WeakPolarHBondContact CA-O 3.4Å; I379-D404 HydrophobicContact CD1-CB 4.22Å; I379-D404 HydrophobicContact CG1-CB 4.03Å; I379-D404 WeakPolarHBondContact CG1-O 3.12Å; I379-D404 PolarHBondContact N-O 2.78Å; I379-D404 PolarHBondContact O-N 3.02Å; D404-V406 HydrophobicContact CB-CG1 4.35Å; D404-I416 HydrophobicContact CB-CG2 4.14Å; D404-T418 WeakPolarHBondContact CB-OG1 3.38Å; D404-T418 WeakPolarHBondContact OD1-CB 3.45Å; D404-T418 PolarHBondContact OD1-OG1 2.9Å; D404-K422 IonicContact OD2-NZ 3.76Å
405	T	97.8	Very high	89.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.8	171	-57.7	0	0	0	0	108.6	N285 M352 V376 L417 T418	N285-T405 PolarHBondContact N-OG1 2.95Å; N285-T405 PolarHBondContact O-N 3.26Å; N285-T405 PolarHBondContact O-OG1 3.01Å; M352-T405 HydrophobicContact CE-CG2 3.43Å; M352-T405 VanDerWaalsContact CE-CG2 3.43Å; M352-T405 WeakPolarHBondContact CE-OG1 3.22Å; V376-T405 HydrophobicContact CG1-CG2 3.61Å; T405-L417 HydrophobicContact CG2-CB 4.34Å; T405-L417 HydrophobicContact CG2-CD1 4.18Å; T405-L417 WeakPolarHBondContact O-CB 3.44Å; T405-L417 PolarHBondContact O-N 3.2Å; T405-T418 PolarHBondContact N-OG1 2.97Å
406	V	96.8	Very high	90.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.5	-173.4	-51	0	0	0	0	112.4	L313 L316 V376 L377 I379 D404 A414 T415 I416	L313-V406 HydrophobicContact CD2-CB 4.34Å; L313-V406 HydrophobicContact CD2-CG1 3.83Å; L316-V406 HydrophobicContact CD1-CG2 4.36Å; V376-V406 CarbonylContact C-O 3.57Å; V376-V406 VanDerWaalsContact CA-O 3.3Å; V376-V406 WeakPolarHBondContact CA-O 3.4Å; V376-V406 WeakPolarHBondContact CG1-O 3.09Å; L377-V406 HydrophobicContact CB-CG2 3.88Å; L377-V406 PolarHBondContact N-O 2.81Å; L377-V406 PolarHBondContact O-N 3.27Å; I379-V406 HydrophobicContact CD1-CG1 3.67Å; I379-V406 HydrophobicContact CG1-CG1 3.9Å; I379-V406 HydrophobicContact CG2-CG1 4.49Å; I379-V406 HydrophobicContact CG2-CG2 3.8Å; D404-V406 HydrophobicContact CB-CG1 4.35Å; V406-A414 HydrophobicContact CB-CB 4.33Å; V406-A414 HydrophobicContact CG2-CB 4.32Å; V406-T415 CarbonylContact C-O 3.48Å; V406-T415 WeakPolarHBondContact CA-O 3.26Å; V406-I416 HydrophobicContact CG1-CG1 4.14Å
407	Q	95.8	Very high	91.8	Very high	28 Å²	28	37 Å²	37	13%	0.131	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.7	176.3	177.6	179.7	-18.3	0	0	110.3	L180 A414 T415 L417	L180-Q407 HydrophobicContact CD2-CG 4.31Å; Q407-A414 CarbonylContact O-C 3.54Å; Q407-A414 VanDerWaalsContact O-CA 3.27Å; Q407-A414 WeakPolarHBondContact O-CA 3.35Å; Q407-A414 WeakPolarHBondContact O-CB 3.49Å; Q407-T415 PolarHBondContact N-O 2.97Å; Q407-T415 PolarHBondContact O-N 3.37Å; Q407-L417 HydrophobicContact CB-CD1 4.28Å; Q407-L417 HydrophobicContact CB-CD2 4.12Å; Q407-L417 HydrophobicContact CB-CG 4.31Å
408	I	95.1	Very high	92	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.			trans	-76.3	126.5	173.9	-59	-58.5	0	0	0	110.4	L316 L371 K372 G374 M375 L377 A414	L316-I408 HydrophobicContact CB-CD1 3.71Å; L316-I408 WeakPolarHBondContact O-CD1 3.34Å; L371-I408 HydrophobicContact CD1-CD1 4.37Å; K372-I408 WeakPolarHBondContact O-CB 3.26Å; K372-I408 WeakPolarHBondContact O-CG2 3.41Å; G374-I408 PolarHBondContact N-O 2.99Å; M375-I408 HydrophobicContact CB-CB 4.4Å; M375-I408 HydrophobicContact CB-CG1 4.08Å; M375-I408 PolarHBondContact O-N 3.32Å; L377-I408 HydrophobicContact CD1-CD1 3.64Å; L377-I408 HydrophobicContact CD1-CG1 4.05Å; L377-I408 HydrophobicContact CG-CG1 4.47Å; I408-A414 HydrophobicContact CD1-CB 4.11Å
409	N	89.5	Confident	91.6	Very high	25 Å²	25	36.2 Å²	36.2	13%	0.134	19%	0.194	C	C	.	.			trans	-95.2	177.6	176	-64.2	-33.8	0	0	0	111.8	E412 A413 T415	N409-E412 HydrophobicContact CB-CB 4.26Å; N409-A413 PolarHBondContact ND2-O 2.96Å; N409-T415 PolarHBondContact ND2-N 3.31Å; N409-T415 PolarHBondContact ND2-OG1 2.72Å
410	E	80.1	Confident	91.5	Very high	97 Å²	97	36.8 Å²	36.8	45%	0.453	20%	0.198	S	C	.	.	S	Bend	trans	-76.8	-61.7	179.7	-162.8	120.9	-134.1	0	0	111.1	H318 K373	H318-E410 WeakPolarHBondContact CB-O 3.3Å; K373-E410 HydrophobicContact CD-CB 4.04Å; K373-E410 HydrophobicContact CD-CG 4.42Å; K373-E410 WeakPolarHBondContact CD-OE2 3.33Å; K373-E410 WeakPolarHBondContact CE-OE2 3.46Å; K373-E410 IonicContact NZ-OE2 3.94Å; K373-E410 PolarHBondContact NZ-OE2 3.41Å
411	E	75.6	Confident	91.3	Very high	167 Å²	167	44.4 Å²	44.4	78%	0.78	23%	0.231	S	C	*	.	S	Bend	trans	-116.7	-31.1	-176.1	-62.1	-172.2	165.8	0	0	113.4	K317	K317-E411 WeakPolarHBondContact CE-O 3.16Å; K317-E411 PolarHBondContact NZ-O 3.09Å
412	E	81.4	Confident	91.1	Very high	133 Å²	133	45.7 Å²	45.7	62%	0.621	24%	0.237	S	C	*	.	S	Bend	trans	-73.9	166.1	178.5	-68.4	170.5	-154.3	0	0	113.3	N409	N409-E412 HydrophobicContact CB-CB 4.26Å
413	A	85.6	Confident	90.9	Very high	44 Å²	44	52.1 Å²	52.1	36%	0.364	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-60.6	155.8	170	0	0	0	0	0	111.1	N409 T415	N409-A413 PolarHBondContact ND2-O 2.96Å; A413-T415 PolarHBondContact O-N 3.32Å
414	A	90.1	Very high	90.6	Very high	8 Å²	8	53 Å²	53	7%	0.066	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61.1	133	179.6	0	0	0	0	0	111.9	L313 L316 V406 Q407 I408	L313-A414 HydrophobicContact CD2-CB 4.1Å; L313-A414 PolarHBondContact O-N 3.41Å; L316-A414 HydrophobicContact CB-CB 3.99Å; V406-A414 HydrophobicContact CB-CB 4.33Å; V406-A414 HydrophobicContact CG2-CB 4.32Å; Q407-A414 CarbonylContact O-C 3.54Å; Q407-A414 VanDerWaalsContact O-CA 3.27Å; Q407-A414 WeakPolarHBondContact O-CA 3.35Å; Q407-A414 WeakPolarHBondContact O-CB 3.49Å; I408-A414 HydrophobicContact CD1-CB 4.11Å
415	T	92.9	Very high	90.3	Very high	63 Å²	63	61 Å²	61	39%	0.387	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.5	180	-59.3	0	0	0	0	110.9	V406 Q407 N409 A413 L417	V406-T415 CarbonylContact C-O 3.48Å; V406-T415 WeakPolarHBondContact CA-O 3.26Å; Q407-T415 PolarHBondContact N-O 2.97Å; Q407-T415 PolarHBondContact O-N 3.37Å; N409-T415 PolarHBondContact ND2-N 3.31Å; N409-T415 PolarHBondContact ND2-OG1 2.72Å; A413-T415 PolarHBondContact O-N 3.32Å; T415-L417 HydrophobicContact CG2-CD2 4.42Å
416	I	95.4	Very high	89.9	Confident	62 Å²	62	62.8 Å²	62.8	32%	0.318	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.6	172.4	-58.4	174	0	0	0	109.8	L313 D404 V406	L313-I416 HydrophobicContact CD1-CD1 3.86Å; L313-I416 HydrophobicContact CD1-CG1 4.11Å; D404-I416 HydrophobicContact CB-CG2 4.14Å; V406-I416 HydrophobicContact CG1-CG1 4.14Å
417	L	94.6	Very high	89.7	Confident	21 Å²	21	62.9 Å²	62.9	11%	0.11	31%	0.314	C	S	.	.			trans	-97.5	-15.8	179.1	-55.7	-171.5	0	0	0	113.1	K184 A187 V376 T405 Q407 T415 P419	K184-L417 HydrophobicContact CG-CD1 4.11Å; K184-L417 HydrophobicContact CG-CD2 4.07Å; A187-L417 HydrophobicContact CB-CB 4.04Å; A187-L417 WeakPolarHBondContact CB-O 3.22Å; V376-L417 HydrophobicContact CG1-CD1 4.47Å; T405-L417 HydrophobicContact CG2-CB 4.34Å; T405-L417 HydrophobicContact CG2-CD1 4.18Å; T405-L417 WeakPolarHBondContact O-CB 3.44Å; T405-L417 PolarHBondContact O-N 3.2Å; Q407-L417 HydrophobicContact CB-CD1 4.28Å; Q407-L417 HydrophobicContact CB-CD2 4.12Å; Q407-L417 HydrophobicContact CB-CG 4.31Å; T415-L417 HydrophobicContact CG2-CD2 4.42Å; L417-P419 WeakPolarHBondContact O-CD 3.37Å
418	T	92.3	Very high	89.4	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.031	31%	0.313	C	S	.	.			trans	-92.5	107.9	-179.3	29.7	0	0	0	0	111.2	A187 L286 D404 T405 V420	A187-T418 HydrophobicContact CB-CG2 3.92Å; L286-T418 HydrophobicContact CB-CG2 4.42Å; L286-T418 HydrophobicContact CD1-CG2 4.28Å; D404-T418 WeakPolarHBondContact CB-OG1 3.38Å; D404-T418 WeakPolarHBondContact OD1-CB 3.45Å; D404-T418 PolarHBondContact OD1-OG1 2.9Å; T405-T418 PolarHBondContact N-OG1 2.97Å; T418-V420 VanDerWaalsContact C-N 3.27Å; T418-V420 PolarHBondContact O-N 3.41Å
419	P	85.2	Confident	89.2	Confident	97 Å²	97	63.1 Å²	63.1	63%	0.63	32%	0.318	S	S	*	.			trans	-85.1	57.9	-171.7	36.1	-37.2	0	0	0	112.4	L417	L417-P419 WeakPolarHBondContact O-CD 3.37Å
420	V	91.4	Very high	89.1	Confident	13 Å²	13	68.1 Å²	68.1	8%	0.079	34%	0.338	C	S	.	.			trans	-120.3	121	-178.3	-179.4	0	0	0	0	111.1	G191 Y194 L286 R288 T418	G191-V420 VanDerWaalsContact CA-CG2 3.42Å; Y194-V420 HydrophobicContact CD1-CG1 3.51Å; Y194-V420 HydrophobicContact CD1-CG2 4.3Å; Y194-V420 HydrophobicContact CE1-CG1 3.57Å; Y194-V420 HydrophobicContact CG-CG1 4.49Å; L286-V420 HydrophobicContact CD1-CB 4.13Å; L286-V420 HydrophobicContact CD1-CG2 4.17Å; L286-V420 HydrophobicContact CD2-CB 4.39Å; L286-V420 HydrophobicContact CD2-CG2 3.79Å; R288-V420 HydrophobicContact CG-CG1 4.33Å; R288-V420 PolarHBondContact NH2-O 3.45Å; T418-V420 VanDerWaalsContact C-N 3.27Å; T418-V420 PolarHBondContact O-N 3.41Å
421	K	91.9	Very high	89.1	Confident	160 Å²	160	66.6 Å²	66.6	70%	0.696	33%	0.333	S	S	*	.			trans	-59.6	138.9	176.6	-62.7	-178.8	-178	174.9	0	110.5	N426	K421-N426 HydrophobicContact CB-CB 3.97Å
422	K	92.9	Very high	88.6	Confident	35 Å²	35	67.8 Å²	67.8	15%	0.152	34%	0.336	C	S	.	.			trans	-133.5	8.7	-173.7	60.2	-178.4	169.9	-179.1	0	114.3	Y302 L306 E309 L402 D404	Y302-K422 VanDerWaalsContact CE1-O 3.25Å; Y302-K422 WeakPolarHBondContact CE1-O 3.18Å; Y302-K422 PolarHBondContact OH-O 3.02Å; Y302-K422 VanDerWaalsContact OH-O 3.11Å; L306-K422 HydrophobicContact CD2-CB 4.15Å; L306-K422 HydrophobicContact CD2-CD 3.67Å; L306-K422 HydrophobicContact CD2-CG 3.74Å; E309-K422 IonicContact OE1-NZ 2.79Å; E309-K422 PolarHBondContact OE1-NZ 2.63Å; E309-K422 IonicContact OE2-NZ 3.18Å; E309-K422 PolarHBondContact OE2-NZ 2.79Å; L402-K422 HydrophobicContact CD1-CB 4.31Å; L402-K422 HydrophobicContact CD1-CD 4.14Å; L402-K422 HydrophobicContact CD2-CD 4.39Å; D404-K422 IonicContact OD2-NZ 3.76Å
423	K	92.3	Very high	86.8	Confident	136 Å²	136	67.7 Å²	67.7	59%	0.591	34%	0.339	S	S	*	.	S	Bend	trans	-71	154	172.8	-67.1	-174.4	177.1	-178.3	0	109.4	K425 N426 V427	K423-K425 VanDerWaalsContact C-N 3.26Å; K423-K425 HydrophobicContact CB-CG 4.23Å; K423-K425 PolarHBondContact O-N 3.31Å; K423-N426 WeakPolarHBondContact O-CB 2.93Å; K423-N426 PolarHBondContact O-N 3.24Å; K423-V427 PolarHBondContact O-N 3.18Å
424	I	90.1	Very high	84.6	Confident	20 Å²	20	72.8 Å²	72.8	10%	0.103	36%	0.36	C	S	.	.	H	α-helix	trans	-49.8	-46.2	-179.3	-66.9	-178.9	0	0	0	111.8	Q299 Y302 N303 N426 V427 A428	Q299-I424 HydrophobicContact CB-CD1 3.7Å; Q299-I424 HydrophobicContact CG-CD1 4.13Å; Q299-I424 HydrophobicContact CG-CG2 4.41Å; Y302-I424 HydrophobicContact CD1-CD1 4.46Å; Y302-I424 HydrophobicContact CD1-CG1 3.71Å; Y302-I424 HydrophobicContact CE1-CG1 4.27Å; N303-I424 VanDerWaalsContact CG-CD1 3.43Å; N303-I424 WeakPolarHBondContact ND2-CD1 3.36Å; N303-I424 WeakPolarHBondContact OD1-CD1 3.39Å; N303-I424 WeakPolarHBondContact OD1-CG1 3.44Å; I424-N426 PolarHBondContact O-N 3.42Å; I424-V427 PolarHBondContact O-N 3.33Å; I424-A428 HydrophobicContact CG2-CB 3.86Å; I424-A428 VanDerWaalsContact O-CB 3.26Å; I424-A428 WeakPolarHBondContact O-CB 3.42Å; I424-A428 PolarHBondContact O-N 2.93Å
425	K	90	Very high	82.1	Confident	167 Å²	167	80.1 Å²	80.1	73%	0.726	40%	0.398	S	S	*	.	H	α-helix	trans	-54.2	-18.7	177.5	71	176.1	-177.1	175.8	0	115.4	K423	K423-K425 VanDerWaalsContact C-N 3.26Å; K423-K425 HydrophobicContact CB-CG 4.23Å; K423-K425 PolarHBondContact O-N 3.31Å
426	N	89.8	Confident	79.4	Confident	38 Å²	38	85.9 Å²	85.9	20%	0.203	42%	0.421	C	S	.	.	H	α-helix	trans	-101.5	-18.9	-178	-59.5	113.6	0	0	0	113.5	K199 K421 K423 I424	K199-N426 PolarHBondContact NZ-O 3.35Å; K421-N426 HydrophobicContact CB-CB 3.97Å; K423-N426 WeakPolarHBondContact O-CB 2.93Å; K423-N426 PolarHBondContact O-N 3.24Å; I424-N426 PolarHBondContact O-N 3.42Å
427	V	91.2	Very high	76.4	Confident	2 Å²	2	91 Å²	91	1%	0.012	44%	0.444	C	S	.	.	H	α-helix	trans	-120.6	-16.4	-173.7	-61.5	0	0	0	0	113.5	T289 L290 M291 Y302 K423 I424	T289-V427 WeakPolarHBondContact O-CB 3.4Å; L290-V427 WeakPolarHBondContact CA-O 3.46Å; L290-V427 HydrophobicContact CD2-CB 4.12Å; L290-V427 HydrophobicContact CD2-CG1 4.37Å; M291-V427 HydrophobicContact CE-CG2 3.66Å; M291-V427 PolarHBondContact N-O 3.4Å; Y302-V427 HydrophobicContact CE1-CG2 3.81Å; K423-V427 PolarHBondContact O-N 3.18Å; I424-V427 PolarHBondContact O-N 3.33Å
428	A	90.7	Very high	73.7	Confident	15 Å²	15	97.4 Å²	97.4	12%	0.124	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.6	169.6	0	0	0	0	0	109.7	M291 P294 I424 F430	M291-A428 CarbonylContact O-C 3.57Å; M291-A428 VanDerWaalsContact O-CA 3.28Å; M291-A428 WeakPolarHBondContact O-CA 3.38Å; P294-A428 HydrophobicContact CG-CB 3.99Å; I424-A428 HydrophobicContact CG2-CB 3.86Å; I424-A428 VanDerWaalsContact O-CB 3.26Å; I424-A428 WeakPolarHBondContact O-CB 3.42Å; I424-A428 PolarHBondContact O-N 2.93Å; A428-F430 HydrophobicContact CB-CD2 4.43Å; A428-F430 HydrophobicContact CB-CE2 3.71Å; A428-F430 HydrophobicContact CB-CZ 3.99Å
429	I	90.1	Very high	70.7	Confident	18 Å²	18	105.7 Å²	105.7	9%	0.092	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.5	175.1	-58.4	171.6	0	0	0	105.3	V202 M203 V206 M291 V292 D293	V202-I429 HydrophobicContact CG1-CD1 4.38Å; M203-I429 HydrophobicContact CG-CD1 4.12Å; V206-I429 HydrophobicContact CG1-CG2 4.07Å; M291-I429 PolarHBondContact O-N 3.08Å; V292-I429 CarbonylContact C-O 3.55Å; V292-I429 WeakPolarHBondContact CA-O 3.34Å; V292-I429 HydrophobicContact CG2-CB 4.41Å; V292-I429 HydrophobicContact CG2-CD1 4.46Å; D293-I429 PolarHBondContact N-O 3.09Å
430	F	87.8	Confident	68.4	Low	130 Å²	130	110.6 Å²	110.6	57%	0.57	53%	0.531	S	S	*	.			trans	-106.9	119.2	178.7	-66.1	-79.9	0	0	0	108.8	D293 A428	D293-F430 VanDerWaalsContact OD1-CA 3.29Å; D293-F430 WeakPolarHBondContact OD1-CA 3.47Å; A428-F430 HydrophobicContact CB-CD2 4.43Å; A428-F430 HydrophobicContact CB-CE2 3.71Å; A428-F430 HydrophobicContact CB-CZ 3.99Å
431	L	80.6	Confident	65.5	Low	64 Å²	64	118.2 Å²	118.2	34%	0.335	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-75.5	131.5	176	-68.5	171.6	0	0	0	108.7	V206 V292 D293 N433	V206-L431 HydrophobicContact CG1-CD2 3.59Å; V206-L431 HydrophobicContact CG1-CG 4.37Å; V292-L431 HydrophobicContact CG1-CD1 3.9Å; V292-L431 HydrophobicContact CG1-CG 4.03Å; D293-L431 PolarHBondContact OD1-N 3.23Å; D293-L431 VanDerWaalsContact OD1-N 3.1Å; D293-L431 WeakPolarHBondContact OD2-CB 3.47Å; L431-N433 PolarHBondContact O-N 2.88Å
432	K	65.4	Low	62.7	Low	193 Å²	193	120.5 Å²	120.5	84%	0.839	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-75.8	119.6	164.5	-72.1	-176.9	177.2	-179.2	0	106.7	D434	K432-D434 PolarHBondContact O-N 3Å
433	N	43.4	Very low	59.6	Low	131 Å²	131	122.1 Å²	122.1	70%	0.701	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-71.3	116.9	172.1	-75.9	-24	0	0	0	108.4	L431 D435	L431-N433 PolarHBondContact O-N 2.88Å; N433-D435 PolarHBondContact O-N 3.32Å; N433-D435 VanDerWaalsContact O-N 3.12Å
434	D	38.9	Very low	57.1	Low	150 Å²	150	123.4 Å²	123.4	80%	0.802	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	13.6	172.9	-75	-27.2	0	0	0	113.2	K432	K432-D434 PolarHBondContact O-N 3Å
435	D	38.1	Very low	54.2	Low	162 Å²	162	129.8 Å²	129.8	87%	0.866	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	5.3	176.5	-79.7	-26.9	0	0	0	113.1	N433	N433-D435 PolarHBondContact O-N 3.32Å; N433-D435 VanDerWaalsContact O-N 3.12Å
436	E	35.6	Very low	51.3	Low	184 Å²	184	126.7 Å²	126.7	86%	0.86	66%	0.659	S	S	*	*			trans	-105.3	68.2	164.1	-73.4	179	-179.8	0	0	109.1	D438	E436-D438 PolarHBondContact O-N 3.39Å
437	E	32.9	Very low	48.6	Very low	171 Å²	171	134 Å²	134	80%	0.799	69%	0.692	S	S	*	*			trans	-67.2	119	159.8	-81.9	-174.9	161.5	0	0	108.9
438	D	37.4	Very low	45.7	Very low	155 Å²	155	142.4 Å²	142.4	83%	0.829	73%	0.731	S	S	*	*			trans	48	79.4	151.4	-61.3	-28.4	0	0	0	118	E436	E436-D438 PolarHBondContact O-N 3.39Å
439	E	28.6	Very low	42.9	Very low	178 Å²	178	149.8 Å²	149.8	83%	0.832	77%	0.767	S	S	*	*			trans	-124.6	108.9	142.5	-75.5	-170.4	166.4	0	0	109.8	E441	E439-E441 PolarHBondContact O-N 3.1Å
440	E	38.1	Very low	40.1	Very low	200 Å²	200	157 Å²	157	94%	0.935	81%	0.805	S	S	*	*			trans	-57.3	114.7	156.9	-68	177.3	154.6	0	0	108.5
441	E	29.2	Very low	37.2	Very low	174 Å²	174	154.7 Å²	154.7	81%	0.813	82%	0.818	S	S	*	*			trans	-131.2	104.1	155.3	-75.4	-160.1	155	0	0	110.5	E439	E439-E441 PolarHBondContact O-N 3.1Å
442	E	33.6	Very low	34.8	Very low	207 Å²	207	161.7 Å²	161.7	97%	0.967	85%	0.846	S	S	*	*			trans	-61.6	120.1	143.1	-74.7	-176	153	0	0	107.8
443	G	28.9	Very low	33.1	Very low	69 Å²	69	156.1 Å²	156.1	71%	0.711	84%	0.844	S	S	*	*			trans	175.2	115.3	172.5	0	0	0	0	0	112.2	D445	G443-D445 PolarHBondContact O-N 3.44Å
444	D	39	Very low	32.7	Very low	164 Å²	164	154.4 Å²	154.4	88%	0.877	85%	0.848	S	S	*	*			trans	-40.3	124.1	165.3	-81.6	-44.2	0	0	0	112.3
445	D	27.9	Very low	32.3	Very low	153 Å²	153	159.1 Å²	159.1	82%	0.818	85%	0.854	S	S	*	*			trans	-160.9	88.7	148.2	-98.2	-27.7	0	0	0	111.7	G443	G443-D445 PolarHBondContact O-N 3.44Å
446	A	30.1	Very low	32	Very low	102 Å²	102	156.4 Å²	156.4	84%	0.843	85%	0.848	S	S	*	*			trans	-141.8	44.9	155.6	0	0	0	0	0	111.1
447	E	32.9	Very low	31.9	Very low	192 Å²	192	152.2 Å²	152.2	90%	0.897	85%	0.845	S	S	*	*			trans	-131.9	54.1	162	-90.5	-159.4	161	0	0	111.1
448	E	30.1	Very low	32.1	Very low	178 Å²	178	148.6 Å²	148.6	83%	0.832	84%	0.844	S	S	*	*			trans	-140.7	62.8	164.2	-145.8	176.5	-162.3	0	0	113.4
449	L	31.4	Very low	32	Very low	170 Å²	170	149.5 Å²	149.5	89%	0.89	85%	0.848	S	S	*	*	S	Bend	trans	-145.1	31.9	151.6	-134.8	127.5	0	0	0	113.7
450	L	32.5	Very low	32.3	Very low	169 Å²	169	148.1 Å²	148.1	89%	0.885	85%	0.845	S	S	*	*			trans	-134.5	78.5	167	-73.7	173.2	0	0	0	110.2	K452	L450-K452 PolarHBondContact O-N 3.21Å
451	G	27	Very low	32.2	Very low	83 Å²	83	142.9 Å²	142.9	86%	0.856	84%	0.837	S	S	*	*			trans	-57.8	122.2	169.4	0	0	0	0	0	111.8
452	K	29.6	Very low	32.7	Very low	210 Å²	210	142 Å²	142	91%	0.913	84%	0.837	S	S	*	*			trans	-53.5	135.5	-178.7	-75.6	170.1	174.7	165.3	0	114.3	L450	L450-K452 PolarHBondContact O-N 3.21Å
453	G	29	Very low	33	Very low	77 Å²	77	143.9 Å²	143.9	79%	0.794	84%	0.835	S	S	*	*			trans	14.6	121.3	145.4	0	0	0	0	0	120.4
454	A	36.3	Very low	33.6	Very low	95 Å²	95	147.2 Å²	147.2	79%	0.785	84%	0.842	S	S	*	*				159.6	58.7	125.4	0	0	0	0	0	112.1
455	R	30.4	Very low	33.9	Very low	249 Å²	249	150.7 Å²	150.7	94%	0.94	84%	0.843	S	S	*	*			trans	-146.2	42.6	154.8	-67.2	-166.7	-174.3	165.1	4	111.5	A457	R455-A457 PolarHBondContact O-N 3.13Å
456	S	32	Very low	34.7	Very low	104 Å²	104	151.1 Å²	151.1	73%	0.727	85%	0.845	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	93.8	162.8	-168.3	0	0	0	0	108.1
457	A	33.8	Very low	35.2	Very low	96 Å²	96	155.2 Å²	155.2	79%	0.793	85%	0.847	S	S	*	*	T	Hydrogen-bonded Turn	trans	-169.6	-12.5	164	0	0	0	0	0	114.1	R455	R455-A457 PolarHBondContact O-N 3.13Å
458	A	35.9	Very low	35.9	Very low	95 Å²	95	151.1 Å²	151.1	79%	0.785	83%	0.829	S	S	*	*	S	Bend	trans	-128.3	6.9	-170.4	0	0	0	0	0	116.2
459	L	35.3	Very low	37.3	Very low	174 Å²	174	146.5 Å²	146.5	91%	0.911	81%	0.813	S	S	*	*	S	Bend	trans	-132.3	23.7	179.4	-94.2	156	0	0	0	113
460	L	35.2	Very low	38.5	Very low	149 Å²	149	141.8 Å²	141.8	78%	0.78	80%	0.799	S	S	*	*	S	Bend	trans	-99.8	31.4	179.1	-104.4	161.5	0	0	0	112.7
461	A	37	Very low	39.7	Very low	91 Å²	91	139.7 Å²	139.7	75%	0.752	78%	0.784	S	S	*	*	S	Bend	trans	-136.7	9.5	-175	0	0	0	0	0	116.3
462	D	39.3	Very low	41.4	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	77%	0.766	S	S	*	*	S	Bend	trans	-150.2	21.4	-176.1	-138.4	9.5	0	0	0	118.6
463	R	40.1	Very low	43.4	Very low	247 Å²	247	137.1 Å²	137.1	93%	0.932	75%	0.751	S	S	*	*			trans	-141.5	54.2	172.8	-74.1	-167.6	177.5	177.4	-1.3	113.9
464	T	40.5	Very low	45.3	Very low	139 Å²	139	138 Å²	138	85%	0.853	73%	0.731	S	S	*	*			trans	-107	86.9	164.2	-7.5	0	0	0	0	108.4
465	R	46	Very low	47	Very low	238 Å²	238	140.6 Å²	140.6	90%	0.898	72%	0.72	S	S	*	*	S	Bend	trans	-172.7	114.5	154.1	-111.3	169.8	172.4	-175.8	-2.8	111.5
466	N	43.5	Very low	48.9	Very low	161 Å²	161	131.4 Å²	131.4	86%	0.861	70%	0.697	S	S	*	*			trans	73.6	67.1	163.7	-71	10.7	0	0	0	119.4
467	E	42.1	Very low	51	Low	189 Å²	189	129.9 Å²	129.9	88%	0.883	68%	0.678	S	S	*	*			trans	-117.3	121.4	143.6	-79.1	-173.7	152.4	0	0	108.1	T469	E467-T469 PolarHBondContact O-N 3.02Å
468	M	46.5	Very low	52.8	Low	106 Å²	106	125.7 Å²	125.7	52%	0.522	64%	0.642	S	S	.	*			trans	-61.5	129.5	168.3	-78.7	172.8	66.1	0	0	108.5	E472 K473	M468-E472 VanDerWaalsContact CA-OE2 3.32Å; M468-E472 WeakPolarHBondContact CA-OE2 3.41Å; M468-E472 HydrophobicContact CB-CB 4.33Å; M468-E472 WeakPolarHBondContact CB-OE2 3.3Å; M468-E472 HydrophobicContact CE-CB 3.87Å; M468-E472 WeakPolarHBondContact CG-OE2 3.4Å; M468-K473 HydrophobicContact CE-CG 4.33Å
469	T	59.4	Low	54.7	Low	81 Å²	81	128 Å²	128	50%	0.497	64%	0.635	S	S	.	*			trans	-64	152.7	177.9	52.1	0	0	0	0	110.5	E467 E471 E472 K473	E467-T469 PolarHBondContact O-N 3.02Å; T469-E471 PolarHBondContact O-N 3.39Å; T469-E472 PolarHBondContact O-N 3.34Å; T469-K473 PolarHBondContact O-N 2.91Å
470	A	56.9	Low	56.6	Low	70 Å²	70	125.6 Å²	125.6	58%	0.579	62%	0.619	S	S	*	*	H	α-helix	trans	-53.3	-28.6	176.7	0	0	0	0	0	112.4	K473 R474	A470-K473 PolarHBondContact O-N 3.35Å; A470-R474 WeakPolarHBondContact O-CG 3.38Å; A470-R474 PolarHBondContact O-N 3.24Å; A470-R474 VanDerWaalsContact O-N 3.1Å
471	E	58.2	Low	58.4	Low	126 Å²	126	119.8 Å²	119.8	59%	0.589	59%	0.589	S	S	*	*	H	α-helix	trans	-69.7	-38.3	176.1	-160.5	173.4	172.7	0	0	113.6	T469 R474 R475	T469-E471 PolarHBondContact O-N 3.39Å; E471-R474 PolarHBondContact O-N 2.93Å; E471-R475 PolarHBondContact O-N 3.43Å
472	E	63.2	Low	60	Low	100 Å²	100	116.5 Å²	116.5	47%	0.467	56%	0.561	S	S	.	*	H	α-helix	trans	-68	-36.8	173.6	-79.3	-178.7	152.9	0	0	112	M468 T469 R475 A476	M468-E472 VanDerWaalsContact CA-OE2 3.32Å; M468-E472 WeakPolarHBondContact CA-OE2 3.41Å; M468-E472 HydrophobicContact CB-CB 4.33Å; M468-E472 WeakPolarHBondContact CB-OE2 3.3Å; M468-E472 HydrophobicContact CE-CB 3.87Å; M468-E472 WeakPolarHBondContact CG-OE2 3.4Å; T469-E472 PolarHBondContact O-N 3.34Å; E472-R475 PolarHBondContact O-N 3.41Å; E472-A476 WeakPolarHBondContact O-CB 3.38Å; E472-A476 PolarHBondContact O-N 2.86Å
473	K	70.8	Confident	61.6	Low	139 Å²	139	113.6 Å²	113.6	60%	0.604	55%	0.546	S	S	*	.	H	α-helix	trans	-65.2	-41	174.4	-69	-177.5	-178	175.4	0	111.8	M468 T469 A470 A476 H477	M468-K473 HydrophobicContact CE-CG 4.33Å; T469-K473 PolarHBondContact O-N 2.91Å; A470-K473 PolarHBondContact O-N 3.35Å; K473-A476 PolarHBondContact O-N 3.16Å; K473-H477 PolarHBondContact O-N 3.3Å; K473-H477 VanDerWaalsContact O-N 3.08Å
474	R	69.1	Low	63.3	Low	96 Å²	96	105.7 Å²	105.7	36%	0.362	52%	0.522	S	S	.	.	H	α-helix	trans	-60.3	-47	173.3	-72.8	173.4	-173.5	162.3	-3.3	111.2	A470 E471 A476 H477 Q478 E884	A470-R474 WeakPolarHBondContact O-CG 3.38Å; A470-R474 PolarHBondContact O-N 3.24Å; A470-R474 VanDerWaalsContact O-N 3.1Å; E471-R474 PolarHBondContact O-N 2.93Å; R474-A476 VanDerWaalsContact C-N 3.34Å; R474-A476 PolarHBondContact O-N 3.02Å; R474-H477 PolarHBondContact O-N 3.47Å; R474-Q478 WeakPolarHBondContact O-CB 3.3Å; R474-Q478 WeakPolarHBondContact O-CG 3.25Å; R474-Q478 PolarHBondContact O-N 2.94Å; R474-E884 IonicContact CZ-OE2 3.37Å; R474-E884 IonicContact NE-OE2 2.97Å; R474-E884 PolarHBondContact NE-OE2 2.85Å; R474-E884 IonicContact NH2-OE2 3.43Å; R474-E884 PolarHBondContact NH2-OE2 3.36Å
475	R	72.6	Confident	64.9	Low	148 Å²	148	100.1 Å²	100.1	56%	0.558	49%	0.487	S	S	*	.	H	α-helix	trans	-62.5	-40.3	-179.7	-164.2	-179.2	-64.3	-164.9	3.3	112.1	E471 E472 K479 E928	E471-R475 PolarHBondContact O-N 3.43Å; E472-R475 PolarHBondContact O-N 3.41Å; R475-K479 WeakPolarHBondContact O-CB 3.4Å; R475-K479 PolarHBondContact O-N 2.78Å; R475-E928 IonicContact NH1-OE1 3.37Å; R475-E928 PolarHBondContact NH1-OE1 3.37Å
476	A	70.4	Confident	66	Low	56 Å²	56	90.7 Å²	90.7	46%	0.463	45%	0.454	S	S	.	.	H	α-helix	trans	-64.8	-47.3	176.5	0	0	0	0	0	112.4	E472 K473 R474 Q478 K479 E480	E472-A476 WeakPolarHBondContact O-CB 3.38Å; E472-A476 PolarHBondContact O-N 2.86Å; K473-A476 PolarHBondContact O-N 3.16Å; R474-A476 VanDerWaalsContact C-N 3.34Å; R474-A476 PolarHBondContact O-N 3.02Å; A476-Q478 PolarHBondContact O-N 3.01Å; A476-K479 PolarHBondContact O-N 2.94Å; A476-E480 PolarHBondContact O-N 3.05Å; A476-E480 VanDerWaalsContact O-N 3.1Å
477	H	74.6	Confident	67.3	Low	72 Å²	72	89 Å²	89	33%	0.333	44%	0.441	S	S	.	.	H	α-helix	trans	-61.4	-44	177.3	-174.1	-124.3	0	0	0	111.9	K473 R474 K479 E480 L481 D890	K473-H477 PolarHBondContact O-N 3.3Å; K473-H477 VanDerWaalsContact O-N 3.08Å; R474-H477 PolarHBondContact O-N 3.47Å; H477-K479 VanDerWaalsContact C-N 3.27Å; H477-K479 PolarHBondContact O-N 2.98Å; H477-E480 PolarHBondContact O-N 3.25Å; H477-L481 WeakPolarHBondContact O-CG 3.21Å; H477-L481 PolarHBondContact O-N 3.3Å; H477-D890 IonicContact CE1-OD1 2.66Å
478	Q	71.9	Confident	68.8	Low	8 Å²	8	84.9 Å²	84.9	4%	0.037	42%	0.422	C	S	.	.	H	α-helix	trans	-68.2	-23.2	178.1	-75.1	-68.6	-28.3	0	0	113.4	R474 A476 A482 N887 I891 K892 Y893	R474-Q478 WeakPolarHBondContact O-CB 3.3Å; R474-Q478 WeakPolarHBondContact O-CG 3.25Å; R474-Q478 PolarHBondContact O-N 2.94Å; A476-Q478 PolarHBondContact O-N 3.01Å; Q478-A482 PolarHBondContact O-N 3.14Å; Q478-N887 PolarHBondContact NE2-OD1 3.39Å; Q478-I891 PolarHBondContact NE2-O 3.37Å; Q478-K892 WeakPolarHBondContact O-CD 3.49Å; Q478-K892 WeakPolarHBondContact O-CE 3.4Å; Q478-K892 PolarHBondContact O-NZ 2.78Å; Q478-Y893 HydrophobicContact CG-CE1 4.17Å
479	K	75.8	Confident	69.6	Low	145 Å²	145	80 Å²	80	63%	0.63	40%	0.398	S	S	*	.	H	α-helix	trans	-78.4	-37.7	173	-169	171.6	-175.3	168.7	0	111.7	R475 A476 H477 A482 N483	R475-K479 WeakPolarHBondContact O-CB 3.4Å; R475-K479 PolarHBondContact O-N 2.78Å; A476-K479 PolarHBondContact O-N 2.94Å; H477-K479 VanDerWaalsContact C-N 3.27Å; H477-K479 PolarHBondContact O-N 2.98Å; K479-A482 PolarHBondContact O-N 2.8Å; K479-N483 PolarHBondContact O-N 2.96Å
480	E	74.8	Confident	70	Confident	122 Å²	122	81 Å²	81	57%	0.57	40%	0.396	S	S	*	.	H	α-helix	trans	-65.1	-43.8	173.4	-171.5	174.7	-178.6	0	0	111.5	A476 H477 A482 N483 N484	A476-E480 PolarHBondContact O-N 3.05Å; A476-E480 VanDerWaalsContact O-N 3.1Å; H477-E480 PolarHBondContact O-N 3.25Å; E480-A482 VanDerWaalsContact C-N 3.3Å; E480-A482 PolarHBondContact O-N 3.2Å; E480-N483 PolarHBondContact O-N 3.07Å; E480-N484 PolarHBondContact O-N 2.94Å; E480-N484 VanDerWaalsContact O-N 3.09Å
481	L	74.1	Confident	70.6	Confident	28 Å²	28	85.7 Å²	85.7	15%	0.147	40%	0.399	C	S	.	.	H	α-helix	trans	-59.8	-38.3	174.4	-73	172.5	0	0	0	112.6	H477 N483 N484 L485	H477-L481 WeakPolarHBondContact O-CG 3.21Å; H477-L481 PolarHBondContact O-N 3.3Å; L481-N483 PolarHBondContact O-N 2.81Å; L481-N484 PolarHBondContact O-N 3.33Å; L481-L485 WeakPolarHBondContact O-CB 3.5Å; L481-L485 PolarHBondContact O-N 3.26Å
482	A	71.1	Confident	71.1	Confident	21 Å²	21	82.9 Å²	82.9	17%	0.174	38%	0.382	C	S	.	.	H	α-helix	trans	-63	-41	178.4	0	0	0	0	0	112.6	Q478 K479 E480 N486 K892	Q478-A482 PolarHBondContact O-N 3.14Å; K479-A482 PolarHBondContact O-N 2.8Å; E480-A482 VanDerWaalsContact C-N 3.3Å; E480-A482 PolarHBondContact O-N 3.2Å; A482-N486 PolarHBondContact O-N 2.66Å; A482-N486 VanDerWaalsContact O-N 3.11Å; A482-K892 HydrophobicContact CB-CD 4.27Å
483	N	72.3	Confident	71	Confident	93 Å²	93	79.2 Å²	79.2	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-68.4	-46.4	177.8	-68.9	-13.7	0	0	0	111.2	K479 E480 L481 L485 N486 E487	K479-N483 PolarHBondContact O-N 2.96Å; E480-N483 PolarHBondContact O-N 3.07Å; L481-N483 PolarHBondContact O-N 2.81Å; N483-L485 VanDerWaalsContact C-N 3.28Å; N483-L485 PolarHBondContact O-N 3.34Å; N483-N486 PolarHBondContact O-N 3.1Å; N483-E487 WeakPolarHBondContact O-CG 3.3Å; N483-E487 PolarHBondContact O-N 3.04Å
484	N	75.4	Confident	70.5	Confident	81 Å²	81	76.1 Å²	76.1	43%	0.433	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-39.4	177.8	-68.2	-12.5	0	0	0	111.6	E480 L481 E487 E488	E480-N484 PolarHBondContact O-N 2.94Å; E480-N484 VanDerWaalsContact O-N 3.09Å; L481-N484 PolarHBondContact O-N 3.33Å; N484-E487 PolarHBondContact O-N 3.41Å; N484-E488 WeakPolarHBondContact O-CB 3.19Å; N484-E488 PolarHBondContact O-N 2.84Å
485	L	73.6	Confident	70	Confident	22 Å²	22	77.6 Å²	77.6	12%	0.115	37%	0.37	C	S	.	.	H	α-helix	trans	-63.8	-48.2	177.7	-177	148.6	0	0	0	111.7	L481 N483 E487 E488 A489 E841 K892	L481-L485 WeakPolarHBondContact O-CB 3.5Å; L481-L485 PolarHBondContact O-N 3.26Å; N483-L485 VanDerWaalsContact C-N 3.28Å; N483-L485 PolarHBondContact O-N 3.34Å; L485-E487 VanDerWaalsContact C-N 3.31Å; L485-E487 PolarHBondContact O-N 3.11Å; L485-E488 PolarHBondContact O-N 2.67Å; L485-A489 VanDerWaalsContact O-CB 3.26Å; L485-A489 WeakPolarHBondContact O-CB 3.2Å; L485-A489 PolarHBondContact O-N 2.88Å; L485-E841 HydrophobicContact CD1-CG 4.09Å; L485-E841 WeakPolarHBondContact CD1-O 3.43Å; L485-E841 HydrophobicContact CD2-CG 4.14Å; L485-E841 WeakPolarHBondContact CD2-OE1 3.33Å; L485-E841 HydrophobicContact CG-CG 4.29Å; L485-E841 VanDerWaalsContact CG-OE1 3.3Å; L485-E841 WeakPolarHBondContact CG-OE1 3.44Å; L485-K892 HydrophobicContact CD1-CB 4.07Å
486	N	69.7	Low	69.1	Low	41 Å²	41	76.9 Å²	76.9	22%	0.219	37%	0.373	C	S	.	.	H	α-helix	trans	-62.1	-38.3	178.3	-74.5	-12.5	0	0	0	112.1	A482 N483 K490	A482-N486 PolarHBondContact O-N 2.66Å; A482-N486 VanDerWaalsContact O-N 3.11Å; N483-N486 PolarHBondContact O-N 3.1Å; N486-K490 WeakPolarHBondContact O-CB 3.32Å; N486-K490 PolarHBondContact O-N 2.84Å; N486-K490 VanDerWaalsContact O-N 3.12Å
487	E	71.6	Confident	68.2	Low	124 Å²	124	80.5 Å²	80.5	58%	0.579	38%	0.378	S	S	*	.	H	α-helix	trans	-68.8	-43.2	176.1	-72.7	-178.2	175.5	0	0	112.6	N483 N484 L485 K490 R491	N483-E487 WeakPolarHBondContact O-CG 3.3Å; N483-E487 PolarHBondContact O-N 3.04Å; N484-E487 PolarHBondContact O-N 3.41Å; L485-E487 VanDerWaalsContact C-N 3.31Å; L485-E487 PolarHBondContact O-N 3.11Å; E487-K490 PolarHBondContact O-N 2.67Å; E487-R491 PolarHBondContact O-N 3.49Å; E487-R491 VanDerWaalsContact O-N 3.1Å
488	E	72.4	Confident	66.4	Low	104 Å²	104	80.3 Å²	80.3	49%	0.486	40%	0.396	S	S	.	.	H	α-helix	trans	-68.1	-41.9	178.8	-158.8	-171.7	160.2	0	0	111.6	N484 L485 K490 R491 R492	N484-E488 WeakPolarHBondContact O-CB 3.19Å; N484-E488 PolarHBondContact O-N 2.84Å; L485-E488 PolarHBondContact O-N 2.67Å; E488-K490 PolarHBondContact O-N 2.99Å; E488-R491 PolarHBondContact O-N 3.43Å; E488-R492 WeakPolarHBondContact O-CG 3.28Å; E488-R492 PolarHBondContact O-N 3.35Å; E488-R492 IonicContact OE1-CZ 3.81Å; E488-R492 IonicContact OE1-NE 2.74Å; E488-R492 PolarHBondContact OE1-NE 3.06Å; E488-R492 IonicContact OE1-NH2 3.47Å; E488-R492 PolarHBondContact OE1-NH2 3.37Å; E488-R492 IonicContact OE2-NH2 2.79Å; E488-R492 PolarHBondContact OE2-NH2 2.82Å; E488-R492 VanDerWaalsContact OE2-NH2 3.16Å
489	A	63.5	Low	64.7	Low	3 Å²	3	88.3 Å²	88.3	3%	0.025	43%	0.433	C	S	.	.	H	α-helix	trans	-59.7	-46.4	175.4	0	0	0	0	0	111.5	L485 R491 R492 L493 F917	L485-A489 VanDerWaalsContact O-CB 3.26Å; L485-A489 WeakPolarHBondContact O-CB 3.2Å; L485-A489 PolarHBondContact O-N 2.88Å; A489-R491 VanDerWaalsContact C-N 3.29Å; A489-R491 PolarHBondContact O-N 3.28Å; A489-R492 PolarHBondContact O-N 2.88Å; A489-L493 WeakPolarHBondContact O-CB 3.18Å; A489-L493 WeakPolarHBondContact O-CD1 3.16Å; A489-L493 PolarHBondContact O-N 2.84Å; A489-F917 HydrophobicContact CB-CE1 3.83Å; A489-F917 HydrophobicContact CB-CE2 4.29Å; A489-F917 HydrophobicContact CB-CZ 3.54Å
490	K	67.5	Low	62.7	Low	102 Å²	102	89.9 Å²	89.9	44%	0.443	44%	0.443	S	S	.	.	H	α-helix	trans	-58.4	-40.1	175.8	-173.5	171.4	-174	167.2	0	112.3	N486 E487 E488 T494	N486-K490 WeakPolarHBondContact O-CB 3.32Å; N486-K490 PolarHBondContact O-N 2.84Å; N486-K490 VanDerWaalsContact O-N 3.12Å; E487-K490 PolarHBondContact O-N 2.67Å; E488-K490 PolarHBondContact O-N 2.99Å; K490-T494 WeakPolarHBondContact O-CG2 3.41Å; K490-T494 PolarHBondContact O-N 2.89Å; K490-T494 VanDerWaalsContact O-N 3.14Å; K490-T494 PolarHBondContact O-OG1 3.42Å
491	R	69.7	Low	60.8	Low	169 Å²	169	92.6 Å²	92.6	64%	0.638	46%	0.455	S	S	*	.	H	α-helix	trans	-67.9	-42.5	176.7	-171.3	177.1	170.1	-165.6	-3.9	112.8	E487 E488 A489 T494 E495	E487-R491 PolarHBondContact O-N 3.49Å; E487-R491 VanDerWaalsContact O-N 3.1Å; E488-R491 PolarHBondContact O-N 3.43Å; A489-R491 VanDerWaalsContact C-N 3.29Å; A489-R491 PolarHBondContact O-N 3.28Å; R491-T494 WeakPolarHBondContact CA-OG1 3.45Å; R491-T494 PolarHBondContact O-OG1 2.88Å; R491-E495 IonicContact NE-OE1 2.65Å; R491-E495 WeakPolarHBondContact O-CG 3.4Å; R491-E495 PolarHBondContact O-N 2.9Å
492	R	68.6	Low	58.9	Low	66 Å²	66	98.4 Å²	98.4	25%	0.249	49%	0.485	C	S	.	.	H	α-helix	trans	-65.3	-40.3	177.9	-66.3	-178.7	-154.7	146	-0.7	112.1	E488 A489 E495 Q496 E841	E488-R492 WeakPolarHBondContact O-CG 3.28Å; E488-R492 PolarHBondContact O-N 3.35Å; E488-R492 IonicContact OE1-CZ 3.81Å; E488-R492 IonicContact OE1-NE 2.74Å; E488-R492 PolarHBondContact OE1-NE 3.06Å; E488-R492 IonicContact OE1-NH2 3.47Å; E488-R492 PolarHBondContact OE1-NH2 3.37Å; E488-R492 IonicContact OE2-NH2 2.79Å; E488-R492 PolarHBondContact OE2-NH2 2.82Å; E488-R492 VanDerWaalsContact OE2-NH2 3.16Å; A489-R492 PolarHBondContact O-N 2.88Å; R492-E495 PolarHBondContact O-N 3.14Å; R492-Q496 PolarHBondContact O-N 3Å; R492-E841 IonicContact NH1-OE2 3.39Å; R492-E841 PolarHBondContact NH1-OE2 3.47Å
493	L	61.9	Low	57.3	Low	23 Å²	23	104.7 Å²	104.7	12%	0.12	51%	0.51	C	S	.	.	H	α-helix	trans	-70.4	-34.3	-179.6	-89.3	141.6	0	0	0	113.6	A489 E495 Q496 K497 Y864 P913 F917	A489-L493 WeakPolarHBondContact O-CB 3.18Å; A489-L493 WeakPolarHBondContact O-CD1 3.16Å; A489-L493 PolarHBondContact O-N 2.84Å; L493-E495 VanDerWaalsContact C-N 3.3Å; L493-Q496 PolarHBondContact O-N 3.47Å; L493-K497 PolarHBondContact O-N 2.87Å; L493-Y864 HydrophobicContact CD1-CE2 4.06Å; L493-P913 HydrophobicContact CD1-CB 4.22Å; L493-P913 HydrophobicContact CD2-CB 3.48Å; L493-P913 VanDerWaalsContact CD2-CB 3.48Å; L493-P913 HydrophobicContact CD2-CG 3.69Å; L493-P913 HydrophobicContact CG-CB 4.42Å; L493-F917 HydrophobicContact CD1-CD2 4.39Å; L493-F917 HydrophobicContact CD1-CE2 3.48Å; L493-F917 VanDerWaalsContact CD1-CE2 3.48Å; L493-F917 HydrophobicContact CD1-CZ 4.18Å
494	T	60.6	Low	55.6	Low	75 Å²	75	109.5 Å²	109.5	46%	0.46	53%	0.527	S	S	.	.	H	α-helix	trans	-67.7	-31.7	172.1	44.5	0	0	0	0	112.1	K490 R491	K490-T494 WeakPolarHBondContact O-CG2 3.41Å; K490-T494 PolarHBondContact O-N 2.89Å; K490-T494 VanDerWaalsContact O-N 3.14Å; K490-T494 PolarHBondContact O-OG1 3.42Å; R491-T494 WeakPolarHBondContact CA-OG1 3.45Å; R491-T494 PolarHBondContact O-OG1 2.88Å
495	E	57.7	Low	53.8	Low	126 Å²	126	110.2 Å²	110.2	59%	0.589	54%	0.544	S	S	*	.	H	α-helix	trans	-74.5	-38.5	173.2	-69.5	175.5	-176	0	0	112.5	R491 R492 L493 K497 G498	R491-E495 IonicContact NE-OE1 2.65Å; R491-E495 WeakPolarHBondContact O-CG 3.4Å; R491-E495 PolarHBondContact O-N 2.9Å; R492-E495 PolarHBondContact O-N 3.14Å; L493-E495 VanDerWaalsContact C-N 3.3Å; E495-K497 VanDerWaalsContact C-N 3.34Å; E495-K497 PolarHBondContact O-N 3.12Å; E495-G498 PolarHBondContact O-N 3.45Å
496	Q	53.9	Low	52.5	Low	134 Å²	134	115.6 Å²	115.6	63%	0.626	56%	0.563	S	S	*	*	H	α-helix	trans	-67.3	-26.1	178.8	-102.4	-177.1	-0.3	0	0	114.6	R492 L493 G498 E499	R492-Q496 PolarHBondContact O-N 3Å; L493-Q496 PolarHBondContact O-N 3.47Å; Q496-G498 PolarHBondContact O-N 2.88Å; Q496-E499 PolarHBondContact O-N 2.87Å
497	K	50.8	Low	51.6	Low	132 Å²	132	122.6 Å²	122.6	57%	0.574	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-12.7	173.6	-82.8	175.6	178.6	164.5	0	113.5	L493 E495 E914	L493-K497 PolarHBondContact O-N 2.87Å; E495-K497 VanDerWaalsContact C-N 3.34Å; E495-K497 PolarHBondContact O-N 3.12Å; K497-E914 VanDerWaalsContact NZ-CG 3.31Å; K497-E914 IonicContact NZ-OE1 3.51Å; K497-E914 PolarHBondContact NZ-OE1 2.97Å
498	G	37.4	Very low	50.9	Low	68 Å²	68	121.1 Å²	121.1	70%	0.701	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-20.9	176.5	0	0	0	0	0	115.7	E495 Q496	E495-G498 PolarHBondContact O-N 3.45Å; Q496-G498 PolarHBondContact O-N 2.88Å
499	E	37.2	Very low	50.6	Low	176 Å²	176	120.1 Å²	120.1	82%	0.822	59%	0.593	S	S	*	*			trans	-105.9	79.9	179.3	-74.3	-169.5	159.4	0	0	110.8	Q496 H501	Q496-E499 PolarHBondContact O-N 2.87Å; E499-H501 PolarHBondContact O-N 2.92Å
500	Q	33.5	Very low	51.2	Low	178 Å²	178	123.7 Å²	123.7	83%	0.832	61%	0.614	S	S	*	*			trans	-61.3	107.1	162.4	-79.4	-172.7	-4.4	0	0	108.7	I502	Q500-I502 PolarHBondContact O-N 2.86Å
501	H	34.8	Very low	51.8	Low	179 Å²	179	119.7 Å²	119.7	83%	0.829	60%	0.599	S	S	*	*			trans	-51	105.6	170.6	-135.4	-76.8	0	0	0	108.4	E499 Q503	E499-H501 PolarHBondContact O-N 2.92Å; H501-Q503 VanDerWaalsContact C-N 3.3Å; H501-Q503 PolarHBondContact O-N 2.77Å
502	I	33.6	Very low	52.5	Low	149 Å²	149	113.1 Å²	113.1	76%	0.764	57%	0.574	S	S	*	*			trans	-63	97.2	173.8	-62.8	170.6	0	0	0	106	Q500 K504	Q500-I502 PolarHBondContact O-N 2.86Å; I502-K504 VanDerWaalsContact C-N 3.31Å; I502-K504 PolarHBondContact O-N 2.96Å
503	Q	36.8	Very low	53.1	Low	153 Å²	153	117.9 Å²	117.9	72%	0.715	60%	0.597	S	S	*	*			trans	-61.6	99.1	167.9	-81	-175.9	5.1	0	0	106.7	H501 A505	H501-Q503 VanDerWaalsContact C-N 3.3Å; H501-Q503 PolarHBondContact O-N 2.77Å; Q503-A505 PolarHBondContact O-N 3.21Å
504	K	37	Very low	54.1	Low	194 Å²	194	121.7 Å²	121.7	84%	0.843	62%	0.617	S	S	*	*			trans	-57	112.3	167.9	-91.6	178.3	176.4	169.2	0	107.1	I502 R506	I502-K504 VanDerWaalsContact C-N 3.31Å; I502-K504 PolarHBondContact O-N 2.96Å; K504-R506 PolarHBondContact O-N 3.23Å
505	A	37.6	Very low	55	Low	97 Å²	97	124.3 Å²	124.3	80%	0.802	63%	0.633	S	S	*	*			trans	-51.7	111.6	172.3	0	0	0	0	0	108.9	Q503 K507	Q503-A505 PolarHBondContact O-N 3.21Å; A505-K507 PolarHBondContact O-N 3.1Å
506	R	47.8	Very low	56.1	Low	134 Å²	134	123.9 Å²	123.9	51%	0.506	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-56.1	133.4	175.1	-157.3	174.3	-168	-161.7	-2.3	108	K504 S508 E636	K504-R506 PolarHBondContact O-N 3.23Å; R506-S508 PolarHBondContact O-N 3.49Å; R506-E636 IonicContact CZ-OE1 3.7Å; R506-E636 VanDerWaalsContact CZ-OE1 3.22Å; R506-E636 IonicContact NH1-OE1 2.81Å; R506-E636 PolarHBondContact NH1-OE1 3.35Å; R506-E636 IonicContact NH2-OE1 2.72Å; R506-E636 PolarHBondContact NH2-OE1 3.34Å
507	K	50.2	Low	57.3	Low	189 Å²	189	120.5 Å²	120.5	82%	0.822	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-57.7	127	175.3	-74.4	178.7	180	172.3	0	108.4	A505 N509	A505-K507 PolarHBondContact O-N 3.1Å; K507-N509 PolarHBondContact O-N 3.5Å
508	S	56.5	Low	58.7	Low	93 Å²	93	116.5 Å²	116.5	65%	0.65	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-65.6	124.2	175.8	50.5	0	0	0	0	109.7	R506 V510	R506-S508 PolarHBondContact O-N 3.49Å; S508-V510 PolarHBondContact O-N 2.88Å
509	N	66	Low	60.7	Low	83 Å²	83	114.4 Å²	114.4	44%	0.444	59%	0.586	S	S	.	*			trans	-76.2	109.4	175	-69.4	-18.5	0	0	0	108.5	K507 Y632	K507-N509 PolarHBondContact O-N 3.5Å; N509-Y632 PolarHBondContact ND2-OH 2.94Å
510	V	75.4	Confident	62.6	Low	78 Å²	78	114 Å²	114	47%	0.473	58%	0.582	S	S	.	*			trans	-102.2	127.1	-176.8	179.2	0	0	0	0	109.2	S508 Y512 K513	S508-V510 PolarHBondContact O-N 2.88Å; V510-Y512 WeakPolarHBondContact CG1-O 3.47Å; V510-K513 HydrophobicContact CG1-CG 4.16Å
511	S	80.7	Confident	64.8	Low	17 Å²	17	110 Å²	110	12%	0.119	56%	0.563	C	S	.	*	S	Bend	trans	-60	-59.3	177.7	-47	0	0	0	0	112.4	H550	S511-H550 WeakPolarHBondContact OG-CB 3.49Å; S511-H550 PolarHBondContact OG-N 3.22Å; S511-H550 VanDerWaalsContact OG-N 3.1Å
512	Y	84.3	Confident	66.7	Low	31 Å²	31	108.7 Å²	108.7	12%	0.122	56%	0.555	C	S	.	*			trans	-138.5	139.5	176.7	-60	-67.5	0	0	0	109.7	V510 Q517 M518 P519 D532 Y535 T537 I539 P548	V510-Y512 WeakPolarHBondContact CG1-O 3.47Å; Y512-Q517 HydrophobicContact CD1-CB 3.71Å; Y512-Q517 HydrophobicContact CE1-CB 4.46Å; Y512-Q517 VanDerWaalsContact CE1-O 3.25Å; Y512-Q517 WeakPolarHBondContact CE1-O 3.49Å; Y512-Q517 HydrophobicContact CG-CB 4.45Å; Y512-M518 HydrophobicContact CE2-CG 4.4Å; Y512-P519 WeakPolarHBondContact OH-CD 3.37Å; Y512-D532 WeakPolarHBondContact OH-CB 3.09Å; Y512-D532 PolarHBondContact OH-OD2 3.4Å; Y512-Y535 HydrophobicContact CD1-CD1 4.47Å; Y512-Y535 HydrophobicContact CD1-CD2 4.23Å; Y512-Y535 HydrophobicContact CD1-CG 4.15Å; Y512-Y535 HydrophobicContact CE1-CD1 4.47Å; Y512-Y535 AromaticContact CE1-CD2 3.58Å; Y512-Y535 HydrophobicContact CE1-CD2 3.58Å; Y512-Y535 HydrophobicContact CE1-CE2 4.21Å; Y512-Y535 AromaticContact CE1-CG 3.72Å; Y512-Y535 HydrophobicContact CE1-CG 3.72Å; Y512-T537 HydrophobicContact CD2-CG2 4.44Å; Y512-T537 HydrophobicContact CE1-CG2 4.24Å; Y512-T537 HydrophobicContact CE2-CG2 3.53Å; Y512-T537 WeakPolarHBondContact OH-CG2 3.47Å; Y512-I539 HydrophobicContact CE2-CD1 4.16Å; Y512-I539 HydrophobicContact CE2-CG1 4.39Å; Y512-P548 HydrophobicContact CD2-CB 3.67Å; Y512-P548 HydrophobicContact CD2-CG 3.86Å; Y512-P548 HydrophobicContact CE2-CB 3.63Å; Y512-P548 HydrophobicContact CE2-CG 4.29Å
513	K	81.4	Confident	68.7	Low	166 Å²	166	105.4 Å²	105.4	72%	0.722	54%	0.536	S	S	*	.	S	Bend	trans	-90.4	-29.6	175.9	-66.1	-173.3	178.4	-176.5	0	112.6	V510	V510-K513 HydrophobicContact CG1-CG 4.16Å
514	N	82.4	Confident	70.7	Confident	103 Å²	103	99.1 Å²	99.1	55%	0.551	51%	0.507	S	S	*	.	S	Bend	trans	-137.5	149.5	-175.7	-66.4	-44.7	0	0	0	110.6	S516 Q517	N514-S516 PolarHBondContact O-N 2.77Å; N514-S516 VanDerWaalsContact O-N 3.16Å; N514-Q517 WeakPolarHBondContact O-CB 3.46Å; N514-Q517 PolarHBondContact O-N 3.25Å
515	V	79.1	Confident	72.7	Confident	131 Å²	131	98.8 Å²	98.8	79%	0.794	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-57.4	-31.7	177.4	-178.6	0	0	0	0	112.3	Q517 M518	V515-Q517 PolarHBondContact O-N 2.7Å; V515-Q517 VanDerWaalsContact O-N 3.17Å; V515-M518 WeakPolarHBondContact O-CB 3.46Å; V515-M518 PolarHBondContact O-N 2.87Å; V515-M518 VanDerWaalsContact O-N 3.12Å
516	S	80.8	Confident	74.8	Confident	116 Å²	116	98 Å²	98	81%	0.811	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-63.3	-19.1	177.4	-52	0	0	0	0	114.4	N514	N514-S516 PolarHBondContact O-N 2.77Å; N514-S516 VanDerWaalsContact O-N 3.16Å
517	Q	80.1	Confident	76.4	Confident	63 Å²	63	95.3 Å²	95.3	29%	0.294	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-85.5	-12.6	179.1	-63.1	174.1	-17.3	0	0	112.3	Y512 N514 V515	Y512-Q517 HydrophobicContact CD1-CB 3.71Å; Y512-Q517 HydrophobicContact CE1-CB 4.46Å; Y512-Q517 VanDerWaalsContact CE1-O 3.25Å; Y512-Q517 WeakPolarHBondContact CE1-O 3.49Å; Y512-Q517 HydrophobicContact CG-CB 4.45Å; N514-Q517 WeakPolarHBondContact O-CB 3.46Å; N514-Q517 PolarHBondContact O-N 3.25Å; V515-Q517 PolarHBondContact O-N 2.7Å; V515-Q517 VanDerWaalsContact O-N 3.17Å
518	M	79.9	Confident	78	Confident	48 Å²	48	89.8 Å²	89.8	24%	0.236	45%	0.451	C	S	.	.	S	Bend	trans	-73.8	131	179.9	-162.3	176.1	-166.7	0	0	110.5	Y512 V515 I539 A546	Y512-M518 HydrophobicContact CE2-CG 4.4Å; V515-M518 WeakPolarHBondContact O-CB 3.46Å; V515-M518 PolarHBondContact O-N 2.87Å; V515-M518 VanDerWaalsContact O-N 3.12Å; M518-I539 HydrophobicContact CE-CD1 4.19Å; M518-I539 HydrophobicContact CE-CG2 3.78Å; M518-I539 HydrophobicContact CG-CD1 4.37Å; M518-A546 HydrophobicContact CE-CB 4Å; M518-A546 WeakPolarHBondContact CE-O 3.44Å
519	P	80.4	Confident	79.5	Confident	25 Å²	25	85.8 Å²	85.8	16%	0.162	42%	0.422	C	S	.	.			trans	-57.9	139.9	176.7	-23	31.3	0	0	0	111.8	Y512 E521 I524 D532 I539	Y512-P519 WeakPolarHBondContact OH-CD 3.37Å; P519-E521 VanDerWaalsContact C-N 3.35Å; P519-E521 HydrophobicContact CB-CG 4.21Å; P519-I524 HydrophobicContact CB-CD1 3.79Å; P519-I524 HydrophobicContact CG-CD1 4.47Å; P519-I524 WeakPolarHBondContact O-CD1 3.24Å; P519-D532 HydrophobicContact CG-CB 4.24Å; P519-D532 WeakPolarHBondContact CG-OD2 3.44Å; P519-I539 HydrophobicContact CG-CD1 4.18Å
520	K	76.4	Confident	80.5	Confident	168 Å²	168	82.7 Å²	82.7	73%	0.73	41%	0.405	S	S	*	.			trans	-100.5	29.5	178	-65.7	-176.1	-178.3	177.8	0	112.4
521	E	79.2	Confident	81.1	Confident	94 Å²	94	79.9 Å²	79.9	44%	0.439	39%	0.387	S	S	.	.			trans	-68.2	155.5	-175	-63.6	-155.3	177.9	0	0	112.8	P519 E523 I524 R525 H530	P519-E521 VanDerWaalsContact C-N 3.35Å; P519-E521 HydrophobicContact CB-CG 4.21Å; E521-E523 PolarHBondContact O-N 3.09Å; E521-I524 HydrophobicContact CB-CD1 4.49Å; E521-I524 PolarHBondContact O-N 2.89Å; E521-R525 PolarHBondContact O-N 2.91Å; E521-H530 IonicContact OE1-CE1 3.6Å; E521-H530 IonicContact OE2-CE1 3.67Å; E521-H530 PolarHBondContact OE2-CE1 3.44Å; E521-H530 IonicContact OE2-ND1 3.7Å; E521-H530 PolarHBondContact OE2-ND1 3.11Å; E521-H530 IonicContact OE2-NE2 3.98Å
522	K	75.9	Confident	81.4	Confident	151 Å²	151	80 Å²	80	66%	0.657	39%	0.386	S	S	*	.	H	α-helix	trans	-62.4	-34.5	-178.7	-161.4	-174.4	-173.4	-124.9	0	111.5	I524 R525 E526	K522-I524 VanDerWaalsContact C-N 3.32Å; K522-I524 PolarHBondContact O-N 3.4Å; K522-R525 PolarHBondContact O-N 3.32Å; K522-R525 VanDerWaalsContact O-N 3.16Å; K522-E526 WeakPolarHBondContact CD-OE1 3.43Å; K522-E526 WeakPolarHBondContact CE-OE1 3.47Å; K522-E526 HydrophobicContact CG-CG 4.39Å; K522-E526 WeakPolarHBondContact CG-OE1 3.48Å; K522-E526 IonicContact NZ-OE1 3.51Å; K522-E526 PolarHBondContact NZ-OE1 3.07Å; K522-E526 WeakPolarHBondContact O-CB 3.25Å; K522-E526 WeakPolarHBondContact O-CG 3.45Å; K522-E526 PolarHBondContact O-N 3.45Å
523	E	75.4	Confident	81.4	Confident	79 Å²	79	84.2 Å²	84.2	37%	0.369	41%	0.405	S	S	.	.	H	α-helix	trans	-58.9	-41.3	178.5	-63.3	179.4	169.1	0	0	112.4	E521 R525 E526 M527 K528 H530	E521-E523 PolarHBondContact O-N 3.09Å; E523-R525 VanDerWaalsContact C-N 3.34Å; E523-R525 PolarHBondContact O-N 3.09Å; E523-E526 CarbonylContact O-C 3.57Å; E523-E526 PolarHBondContact O-N 3.5Å; E523-M527 PolarHBondContact O-N 3.4Å; E523-M527 VanDerWaalsContact O-N 3.15Å; E523-K528 HydrophobicContact CB-CB 4.09Å; E523-K528 WeakPolarHBondContact O-CB 3.42Å; E523-K528 PolarHBondContact O-N 3.2Å; E523-H530 HydrophobicContact CB-CB 4.48Å; E523-H530 IonicContact OE2-CE1 3.71Å; E523-H530 IonicContact OE2-CG 2.75Å; E523-H530 IonicContact OE2-ND1 3.26Å; E523-H530 PolarHBondContact OE2-ND1 2.97Å
524	I	78.9	Confident	81.5	Confident	21 Å²	21	84.4 Å²	84.4	11%	0.108	41%	0.406	C	S	.	.	H	α-helix	trans	-69.2	-35.8	179	-60.2	165.1	0	0	0	110.7	P519 E521 K522 M527 H530 I539 A546	P519-I524 HydrophobicContact CB-CD1 3.79Å; P519-I524 HydrophobicContact CG-CD1 4.47Å; P519-I524 WeakPolarHBondContact O-CD1 3.24Å; E521-I524 HydrophobicContact CB-CD1 4.49Å; E521-I524 PolarHBondContact O-N 2.89Å; K522-I524 VanDerWaalsContact C-N 3.32Å; K522-I524 PolarHBondContact O-N 3.4Å; I524-M527 PolarHBondContact O-N 2.86Å; I524-H530 HydrophobicContact CD1-CB 4.34Å; I524-H530 HydrophobicContact CG1-CB 3.77Å; I524-I539 HydrophobicContact CD1-CD1 3.74Å; I524-I539 HydrophobicContact CG1-CD1 4.48Å; I524-I539 HydrophobicContact CG1-CG2 4.45Å; I524-I539 HydrophobicContact CG2-CG2 4.45Å; I524-A546 HydrophobicContact CG2-CB 3.82Å
525	R	78.5	Confident	81.6	Confident	188 Å²	188	83.3 Å²	83.3	71%	0.709	40%	0.395	S	S	*	.	H	α-helix	trans	-71.6	-31.2	175.1	-61.8	-177.9	-172.5	179.2	3.8	112.6	E521 K522 E523 M527	E521-R525 PolarHBondContact O-N 2.91Å; K522-R525 PolarHBondContact O-N 3.32Å; K522-R525 VanDerWaalsContact O-N 3.16Å; E523-R525 VanDerWaalsContact C-N 3.34Å; E523-R525 PolarHBondContact O-N 3.09Å; R525-M527 PolarHBondContact O-N 2.88Å
526	E	80.3	Confident	81.9	Confident	81 Å²	81	78.7 Å²	78.7	38%	0.379	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.8	175.4	-70.5	178.1	-173.7	0	0	112.7	K522 E523 K528	K522-E526 WeakPolarHBondContact CD-OE1 3.43Å; K522-E526 WeakPolarHBondContact CE-OE1 3.47Å; K522-E526 HydrophobicContact CG-CG 4.39Å; K522-E526 WeakPolarHBondContact CG-OE1 3.48Å; K522-E526 IonicContact NZ-OE1 3.51Å; K522-E526 PolarHBondContact NZ-OE1 3.07Å; K522-E526 WeakPolarHBondContact O-CB 3.25Å; K522-E526 WeakPolarHBondContact O-CG 3.45Å; K522-E526 PolarHBondContact O-N 3.45Å; E523-E526 CarbonylContact O-C 3.57Å; E523-E526 PolarHBondContact O-N 3.5Å; E526-K528 HydrophobicContact CB-CD 4.35Å; E526-K528 HydrophobicContact CB-CG 4.41Å; E526-K528 PolarHBondContact O-N 2.92Å; E526-K528 WeakPolarHBondContact OE2-CE 3.32Å; E526-K528 IonicContact OE2-NZ 3.23Å; E526-K528 PolarHBondContact OE2-NZ 2.9Å
527	M	82.1	Confident	82.3	Confident	77 Å²	77	73.1 Å²	73.1	38%	0.379	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	35.1	179.4	-53.9	-55.8	-78.9	0	0	113.6	E523 I524 R525 P541 G544	E523-M527 PolarHBondContact O-N 3.4Å; E523-M527 VanDerWaalsContact O-N 3.15Å; I524-M527 PolarHBondContact O-N 2.86Å; R525-M527 PolarHBondContact O-N 2.88Å; M527-P541 HydrophobicContact CB-CB 4.4Å; M527-P541 HydrophobicContact CE-CB 3.64Å; M527-G544 WeakPolarHBondContact CE-O 3.14Å
528	K	84.3	Confident	82.8	Confident	73 Å²	73	70.1 Å²	70.1	32%	0.317	31%	0.312	S	S	.	.			trans	-91.1	148.4	171.2	-72	174.2	179.9	164.2	0	109.9	E523 E526 H530 N617	E523-K528 HydrophobicContact CB-CB 4.09Å; E523-K528 WeakPolarHBondContact O-CB 3.42Å; E523-K528 PolarHBondContact O-N 3.2Å; E526-K528 HydrophobicContact CB-CD 4.35Å; E526-K528 HydrophobicContact CB-CG 4.41Å; E526-K528 PolarHBondContact O-N 2.92Å; E526-K528 WeakPolarHBondContact OE2-CE 3.32Å; E526-K528 IonicContact OE2-NZ 3.23Å; E526-K528 PolarHBondContact OE2-NZ 2.9Å; K528-H530 PolarHBondContact O-N 2.9Å; K528-N617 VanDerWaalsContact CB-ND2 3.31Å; K528-N617 WeakPolarHBondContact CB-ND2 3.48Å
529	I	87	Confident	83.3	Confident	9 Å²	9	68 Å²	68	5%	0.046	30%	0.301	C	S	.	.			trans	-63	126.9	170.8	-59	171	0	0	0	108	V538 M540 L568 Y600 N617 A621	I529-V538 HydrophobicContact CG2-CG1 3.93Å; I529-M540 HydrophobicContact CG2-CG 4.18Å; I529-L568 HydrophobicContact CD1-CD2 3.95Å; I529-Y600 HydrophobicContact CD1-CD2 3.78Å; I529-Y600 HydrophobicContact CD1-CE2 4.18Å; I529-Y600 HydrophobicContact CD1-CG 4.15Å; I529-N617 PolarHBondContact N-ND2 3.36Å; I529-A621 HydrophobicContact CB-CB 4.32Å; I529-A621 HydrophobicContact CG2-CB 3.9Å
530	H	88.2	Confident	83.8	Confident	18 Å²	18	66.8 Å²	66.8	8%	0.083	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.2	178.9	179.8	78.3	0	0	0	109.8	E521 E523 I524 K528 I539	E521-H530 IonicContact OE1-CE1 3.6Å; E521-H530 IonicContact OE2-CE1 3.67Å; E521-H530 PolarHBondContact OE2-CE1 3.44Å; E521-H530 IonicContact OE2-ND1 3.7Å; E521-H530 PolarHBondContact OE2-ND1 3.11Å; E521-H530 IonicContact OE2-NE2 3.98Å; E523-H530 HydrophobicContact CB-CB 4.48Å; E523-H530 IonicContact OE2-CE1 3.71Å; E523-H530 IonicContact OE2-CG 2.75Å; E523-H530 IonicContact OE2-ND1 3.26Å; E523-H530 PolarHBondContact OE2-ND1 2.97Å; I524-H530 HydrophobicContact CD1-CB 4.34Å; I524-H530 HydrophobicContact CG1-CB 3.77Å; K528-H530 PolarHBondContact O-N 2.9Å; H530-I539 PolarHBondContact N-O 3.18Å; H530-I539 PolarHBondContact O-N 3.47Å
531	I	88.3	Confident	84.4	Confident	18 Å²	18	59.8 Å²	59.8	9%	0.092	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	111.7	-176.7	-58.8	153.1	0	0	0	108.6	K533 V538 A621 I624 I625 V628	I531-K533 PolarHBondContact O-N 2.8Å; I531-V538 HydrophobicContact CG1-CG1 4.15Å; I531-V538 HydrophobicContact CG1-CG2 4.47Å; I531-A621 HydrophobicContact CD1-CB 4.17Å; I531-I624 HydrophobicContact CB-CG2 4.13Å; I531-I624 HydrophobicContact CD1-CB 3.58Å; I531-I624 HydrophobicContact CD1-CD1 4.47Å; I531-I624 HydrophobicContact CD1-CG2 3.62Å; I531-I624 HydrophobicContact CG1-CG2 4.49Å; I531-I624 HydrophobicContact CG2-CG2 3.93Å; I531-I625 HydrophobicContact CD1-CD1 4.22Å; I531-I625 HydrophobicContact CD1-CG1 3.62Å; I531-I625 HydrophobicContact CG1-CG1 4.06Å; I531-V628 HydrophobicContact CG2-CG2 4.48Å
532	D	87	Confident	84.8	Confident	20 Å²	20	57.8 Å²	57.8	11%	0.107	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	104.8	172.1	-171.7	-29.8	0	0	0	108.7	Y512 P519 K534 Y535 E536 T537	Y512-D532 WeakPolarHBondContact OH-CB 3.09Å; Y512-D532 PolarHBondContact OH-OD2 3.4Å; P519-D532 HydrophobicContact CG-CB 4.24Å; P519-D532 WeakPolarHBondContact CG-OD2 3.44Å; D532-K534 VanDerWaalsContact C-N 3.25Å; D532-K534 PolarHBondContact O-N 3.03Å; D532-K534 WeakPolarHBondContact OD1-CA 3.15Å; D532-K534 VanDerWaalsContact OD1-CB 3.28Å; D532-K534 WeakPolarHBondContact OD1-CB 3.27Å; D532-K534 PolarHBondContact OD1-N 3.02Å; D532-Y535 PolarHBondContact OD1-N 3.39Å; D532-Y535 VanDerWaalsContact OD1-N 3.07Å; D532-Y535 WeakPolarHBondContact OD2-CD2 3.39Å; D532-E536 WeakPolarHBondContact O-CA 3.17Å; D532-E536 PolarHBondContact O-N 3.5Å; D532-T537 HydrophobicContact CB-CG2 3.9Å; D532-T537 PolarHBondContact N-O 3.09Å; D532-T537 PolarHBondContact O-N 3.27Å; D532-T537 VanDerWaalsContact O-N 3.15Å
533	K	84.1	Confident	85.2	Confident	120 Å²	120	60.7 Å²	60.7	52%	0.522	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.9	178.6	-63.6	-173.3	-177.4	-172	0	113	I531 V628	I531-K533 PolarHBondContact O-N 2.8Å; K533-V628 HydrophobicContact CG-CG2 4.46Å
534	K	83.4	Confident	85.5	Confident	170 Å²	170	59.6 Å²	59.6	74%	0.739	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-41.5	-176.5	-176.7	-176.6	178.6	-178	0	111.5	D532	D532-K534 VanDerWaalsContact C-N 3.25Å; D532-K534 PolarHBondContact O-N 3.03Å; D532-K534 WeakPolarHBondContact OD1-CA 3.15Å; D532-K534 VanDerWaalsContact OD1-CB 3.28Å; D532-K534 WeakPolarHBondContact OD1-CB 3.27Å; D532-K534 PolarHBondContact OD1-N 3.02Å
535	Y	83.4	Confident	85.9	Confident	79 Å²	79	64 Å²	64	31%	0.31	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	3.4	176.4	-71.5	-78.5	0	0	0	113.4	Y512 D532 T537	Y512-Y535 HydrophobicContact CD1-CD1 4.47Å; Y512-Y535 HydrophobicContact CD1-CD2 4.23Å; Y512-Y535 HydrophobicContact CD1-CG 4.15Å; Y512-Y535 HydrophobicContact CE1-CD1 4.47Å; Y512-Y535 AromaticContact CE1-CD2 3.58Å; Y512-Y535 HydrophobicContact CE1-CD2 3.58Å; Y512-Y535 HydrophobicContact CE1-CE2 4.21Å; Y512-Y535 AromaticContact CE1-CG 3.72Å; Y512-Y535 HydrophobicContact CE1-CG 3.72Å; D532-Y535 PolarHBondContact OD1-N 3.39Å; D532-Y535 VanDerWaalsContact OD1-N 3.07Å; D532-Y535 WeakPolarHBondContact OD2-CD2 3.39Å; Y535-T537 VanDerWaalsContact C-N 3.26Å; Y535-T537 PolarHBondContact O-N 3.07Å
536	E	86.7	Confident	86.3	Confident	34 Å²	34	56.6 Å²	56.6	16%	0.159	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	47.1	175.2	-59.8	171.4	161.1	0	0	111.8	D532 I551 V628 Y632 R635	D532-E536 WeakPolarHBondContact O-CA 3.17Å; D532-E536 PolarHBondContact O-N 3.5Å; E536-I551 WeakPolarHBondContact O-CB 3.44Å; E536-I551 WeakPolarHBondContact O-CG1 3.5Å; E536-I551 PolarHBondContact O-N 3.35Å; E536-V628 HydrophobicContact CB-CG1 4.41Å; E536-V628 HydrophobicContact CG-CG1 4.41Å; E536-Y632 WeakPolarHBondContact OE2-CD2 3.44Å; E536-R635 IonicContact OE1-CZ 3.03Å; E536-R635 VanDerWaalsContact OE1-CZ 3.25Å; E536-R635 IonicContact OE1-NH1 2.78Å; E536-R635 PolarHBondContact OE1-NH1 2.85Å; E536-R635 IonicContact OE1-NH2 3.24Å; E536-R635 PolarHBondContact OE1-NH2 2.89Å; E536-R635 IonicContact OE2-CZ 3.69Å; E536-R635 IonicContact OE2-NH1 3.65Å; E536-R635 IonicContact OE2-NH2 3.96Å; E536-R635 PolarHBondContact OE2-NH2 2.84Å
537	T	89.5	Confident	86.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.6	-176.3	-177.6	0	0	0	0	111.5	Y512 D532 Y535 F549	Y512-T537 HydrophobicContact CD2-CG2 4.44Å; Y512-T537 HydrophobicContact CE1-CG2 4.24Å; Y512-T537 HydrophobicContact CE2-CG2 3.53Å; Y512-T537 WeakPolarHBondContact OH-CG2 3.47Å; D532-T537 HydrophobicContact CB-CG2 3.9Å; D532-T537 PolarHBondContact N-O 3.09Å; D532-T537 PolarHBondContact O-N 3.27Å; D532-T537 VanDerWaalsContact O-N 3.15Å; Y535-T537 VanDerWaalsContact C-N 3.26Å; Y535-T537 PolarHBondContact O-N 3.07Å; T537-F549 CarbonylContact C-O 3.58Å; T537-F549 VanDerWaalsContact CA-O 3.23Å; T537-F549 WeakPolarHBondContact CA-O 3.21Å; T537-F549 WeakPolarHBondContact CB-O 3.46Å; T537-F549 VanDerWaalsContact OG1-C 3.22Å; T537-F549 PolarHBondContact OG1-N 2.98Å; T537-F549 PolarHBondContact OG1-O 3.4Å
538	V	90.5	Very high	87.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120	173.8	-168.5	0	0	0	0	107.9	I529 I531 M540 F549 I551 I554 I625	I529-V538 HydrophobicContact CG2-CG1 3.93Å; I531-V538 HydrophobicContact CG1-CG1 4.15Å; I531-V538 HydrophobicContact CG1-CG2 4.47Å; V538-M540 HydrophobicContact CB-CE 4.35Å; V538-M540 HydrophobicContact CB-CG 4.43Å; V538-M540 HydrophobicContact CG1-CE 4.21Å; V538-M540 HydrophobicContact CG1-CG 3.58Å; V538-M540 HydrophobicContact CG1-SD 3.87Å; V538-F549 PolarHBondContact N-O 3.25Å; V538-F549 PolarHBondContact O-N 3.18Å; V538-I551 HydrophobicContact CG2-CD1 3.5Å; V538-I551 VanDerWaalsContact CG2-CD1 3.5Å; V538-I551 HydrophobicContact CG2-CG1 4.32Å; V538-I554 HydrophobicContact CB-CD1 4.33Å; V538-I554 HydrophobicContact CG2-CD1 3.75Å; V538-I625 HydrophobicContact CG1-CD1 3.86Å; V538-I625 HydrophobicContact CG1-CG1 4.44Å; V538-I625 HydrophobicContact CG2-CD1 3.99Å; V538-I625 HydrophobicContact CG2-CG1 3.84Å
539	I	90.3	Very high	87.4	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117	175.1	-55.6	176.2	0	0	0	107.5	Y512 M518 P519 I524 H530 A546 P548	Y512-I539 HydrophobicContact CE2-CD1 4.16Å; Y512-I539 HydrophobicContact CE2-CG1 4.39Å; M518-I539 HydrophobicContact CE-CD1 4.19Å; M518-I539 HydrophobicContact CE-CG2 3.78Å; M518-I539 HydrophobicContact CG-CD1 4.37Å; P519-I539 HydrophobicContact CG-CD1 4.18Å; I524-I539 HydrophobicContact CD1-CD1 3.74Å; I524-I539 HydrophobicContact CG1-CD1 4.48Å; I524-I539 HydrophobicContact CG1-CG2 4.45Å; I524-I539 HydrophobicContact CG2-CG2 4.45Å; H530-I539 PolarHBondContact N-O 3.18Å; H530-I539 PolarHBondContact O-N 3.47Å; I539-A546 HydrophobicContact CG2-CB 3.96Å; I539-P548 HydrophobicContact CG1-CB 4.28Å
540	M	90.3	Very high	87.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.9	-173.8	-64.4	-173.3	-79.5	0	0	111.2	I529 V538 V542 T547 F549 I570 F572 Y600	I529-M540 HydrophobicContact CG2-CG 4.18Å; V538-M540 HydrophobicContact CB-CE 4.35Å; V538-M540 HydrophobicContact CB-CG 4.43Å; V538-M540 HydrophobicContact CG1-CE 4.21Å; V538-M540 HydrophobicContact CG1-CG 3.58Å; V538-M540 HydrophobicContact CG1-SD 3.87Å; M540-V542 PolarHBondContact O-N 3.37Å; M540-T547 PolarHBondContact N-O 3.02Å; M540-T547 PolarHBondContact O-N 2.88Å; M540-F549 HydrophobicContact CB-CD2 4.42Å; M540-F549 HydrophobicContact CB-CE2 4.39Å; M540-F549 HydrophobicContact CE-CB 4.01Å; M540-F549 HydrophobicContact CE-CD2 3.26Å; M540-F549 HydrophobicContact CE-CE2 3.85Å; M540-F549 HydrophobicContact CE-CG 3.78Å; M540-I570 HydrophobicContact CE-CD1 4.23Å; M540-I570 HydrophobicContact SD-CD1 3.23Å; M540-I570 WeakPolarHBondContact SD-CD1 3.46Å; M540-F572 HydrophobicContact CE-CE1 4.2Å; M540-F572 HydrophobicContact CE-CZ 3.67Å; M540-Y600 HydrophobicContact CB-CE2 4.12Å; M540-Y600 WeakPolarHBondContact CB-OH 3.38Å; M540-Y600 HydrophobicContact CG-CE2 4.34Å; M540-Y600 HydrophobicContact SD-CE2 3.99Å
541	P	89.1	Confident	87.4	Confident	22 Å²	22	50.8 Å²	50.8	14%	0.143	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	102.9	178.2	31.4	-34.4	0	0	0	110.8	M527 F543 I545 Y600	M527-P541 HydrophobicContact CB-CB 4.4Å; M527-P541 HydrophobicContact CE-CB 3.64Å; P541-F543 PolarHBondContact O-N 3.04Å; P541-I545 CarbonylContact C-O 3.25Å; P541-I545 WeakPolarHBondContact CA-O 3.49Å; P541-Y600 WeakPolarHBondContact CD-OH 3.19Å; P541-Y600 HydrophobicContact CG-CE1 3.9Å; P541-Y600 WeakPolarHBondContact O-CE1 3.36Å; P541-Y600 PolarHBondContact O-OH 3.13Å
542	V	87.9	Confident	87.2	Confident	51 Å²	51	51.4 Å²	51.4	31%	0.309	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	99.3	171.2	-176.8	0	0	0	0	107.8	M540 G544 I545 F549	M540-V542 PolarHBondContact O-N 3.37Å; V542-G544 VanDerWaalsContact C-N 3.28Å; V542-G544 PolarHBondContact O-N 2.98Å; V542-G544 VanDerWaalsContact O-N 3.15Å; V542-I545 PolarHBondContact N-O 3.1Å; V542-I545 WeakPolarHBondContact O-CB 3.37Å; V542-I545 PolarHBondContact O-N 3.34Å; V542-F549 HydrophobicContact CG2-CE2 4.09Å; V542-F549 HydrophobicContact CG2-CZ 4.18Å
543	F	85.2	Confident	87.1	Confident	212 Å²	212	53.3 Å²	53.3	93%	0.93	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	46.3	-179.1	-62.1	-53.4	0	0	0	114.8	P541	P541-F543 PolarHBondContact O-N 3.04Å
544	G	81.8	Confident	87.2	Confident	56 Å²	56	47.7 Å²	47.7	58%	0.577	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	-3.3	179.2	0	0	0	0	0	115	M527 V542	M527-G544 WeakPolarHBondContact CE-O 3.14Å; V542-G544 VanDerWaalsContact C-N 3.28Å; V542-G544 PolarHBondContact O-N 2.98Å; V542-G544 VanDerWaalsContact O-N 3.15Å
545	I	86.4	Confident	87.3	Confident	114 Å²	114	42.4 Å²	42.4	59%	0.585	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.8	-178.8	-54.6	173.9	0	0	0	109.5	P541 V542 T547	P541-I545 CarbonylContact C-O 3.25Å; P541-I545 WeakPolarHBondContact CA-O 3.49Å; V542-I545 PolarHBondContact N-O 3.1Å; V542-I545 WeakPolarHBondContact O-CB 3.37Å; V542-I545 PolarHBondContact O-N 3.34Å; I545-T547 PolarHBondContact O-N 2.87Å; I545-T547 VanDerWaalsContact O-N 3.11Å; I545-T547 PolarHBondContact O-OG1 3.2Å
546	A	87.6	Confident	87.5	Confident	32 Å²	32	42 Å²	42	26%	0.264	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	102.4	176	0	0	0	0	0	110.4	M518 I524 I539	M518-A546 HydrophobicContact CE-CB 4Å; M518-A546 WeakPolarHBondContact CE-O 3.44Å; I524-A546 HydrophobicContact CG2-CB 3.82Å; I539-A546 HydrophobicContact CG2-CB 3.96Å
547	T	88.6	Confident	87.7	Confident	41 Å²	41	41 Å²	41	25%	0.252	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.5	-175.2	-56.8	0	0	0	0	110.5	M540 I545 F549	M540-T547 PolarHBondContact N-O 3.02Å; M540-T547 PolarHBondContact O-N 2.88Å; I545-T547 PolarHBondContact O-N 2.87Å; I545-T547 VanDerWaalsContact O-N 3.11Å; I545-T547 PolarHBondContact O-OG1 3.2Å; T547-F549 HydrophobicContact CG2-CD2 4.36Å; T547-F549 HydrophobicContact CG2-CE1 4.44Å; T547-F549 HydrophobicContact CG2-CE2 3.68Å; T547-F549 HydrophobicContact CG2-CZ 3.73Å; T547-F549 WeakPolarHBondContact O-CD2 3.4Å
548	P	90.1	Very high	87.7	Confident	45 Å²	45	43.6 Å²	43.6	29%	0.292	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.5	178.5	33.1	-33.6	0	0	0	112.3	Y512 I539	Y512-P548 HydrophobicContact CD2-CB 3.67Å; Y512-P548 HydrophobicContact CD2-CG 3.86Å; Y512-P548 HydrophobicContact CE2-CB 3.63Å; Y512-P548 HydrophobicContact CE2-CG 4.29Å; I539-P548 HydrophobicContact CG1-CB 4.28Å
549	F	89.5	Confident	87.7	Confident	34 Å²	34	46.9 Å²	46.9	15%	0.149	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.2	174.4	-64.2	-88.8	0	0	0	109.9	T537 V538 M540 V542 T547 F572 I598	T537-F549 CarbonylContact C-O 3.58Å; T537-F549 VanDerWaalsContact CA-O 3.23Å; T537-F549 WeakPolarHBondContact CA-O 3.21Å; T537-F549 WeakPolarHBondContact CB-O 3.46Å; T537-F549 VanDerWaalsContact OG1-C 3.22Å; T537-F549 PolarHBondContact OG1-N 2.98Å; T537-F549 PolarHBondContact OG1-O 3.4Å; V538-F549 PolarHBondContact N-O 3.25Å; V538-F549 PolarHBondContact O-N 3.18Å; M540-F549 HydrophobicContact CB-CD2 4.42Å; M540-F549 HydrophobicContact CB-CE2 4.39Å; M540-F549 HydrophobicContact CE-CB 4.01Å; M540-F549 HydrophobicContact CE-CD2 3.26Å; M540-F549 HydrophobicContact CE-CE2 3.85Å; M540-F549 HydrophobicContact CE-CG 3.78Å; V542-F549 HydrophobicContact CG2-CE2 4.09Å; V542-F549 HydrophobicContact CG2-CZ 4.18Å; T547-F549 HydrophobicContact CG2-CD2 4.36Å; T547-F549 HydrophobicContact CG2-CE1 4.44Å; T547-F549 HydrophobicContact CG2-CE2 3.68Å; T547-F549 HydrophobicContact CG2-CZ 3.73Å; T547-F549 WeakPolarHBondContact O-CD2 3.4Å; F549-F572 HydrophobicContact CB-CE1 3.98Å; F549-F572 HydrophobicContact CD1-CD1 4.29Å; F549-F572 AromaticContact CD1-CE1 3.5Å; F549-F572 HydrophobicContact CD1-CE1 3.5Å; F549-F572 VanDerWaalsContact CD1-CE1 3.5Å; F549-F572 AromaticContact CD1-CZ 3.98Å; F549-F572 HydrophobicContact CD1-CZ 3.98Å; F549-F572 HydrophobicContact CE1-CE1 4.08Å; F549-F572 HydrophobicContact CE1-CZ 4.19Å; F549-F572 AromaticContact CG-CE1 3.76Å; F549-F572 HydrophobicContact CG-CE1 3.76Å; F549-F572 HydrophobicContact CG-CZ 4.14Å; F549-I598 HydrophobicContact CE2-CD1 4.41Å; F549-I598 HydrophobicContact CZ-CD1 4.16Å
550	H	89.1	Confident	87.7	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.065	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.5	176.8	-170.9	-91.6	0	0	0	109.5	S511 A552 T553 Y632	S511-H550 WeakPolarHBondContact OG-CB 3.49Å; S511-H550 PolarHBondContact OG-N 3.22Å; S511-H550 VanDerWaalsContact OG-N 3.1Å; H550-A552 WeakPolarHBondContact ND1-CB 3.25Å; H550-A552 PolarHBondContact ND1-N 2.97Å; H550-A552 PolarHBondContact O-N 2.98Å; H550-A552 VanDerWaalsContact O-N 3.15Å; H550-T553 HydrophobicContact CB-CG2 4.45Å; H550-T553 WeakPolarHBondContact O-CB 3.43Å; H550-T553 PolarHBondContact O-N 3.11Å; H550-T553 PolarHBondContact O-OG1 3.4Å; H550-Y632 AromaticContact CE1-CE2 3.76Å
551	I	87.3	Confident	87.5	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.015	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-57.9	-33.6	-177.1	-70.9	-81.9	0	0	0	112.1	E536 V538 T553 I554 I625 V628 Q629 Y632	E536-I551 WeakPolarHBondContact O-CB 3.44Å; E536-I551 WeakPolarHBondContact O-CG1 3.5Å; E536-I551 PolarHBondContact O-N 3.35Å; V538-I551 HydrophobicContact CG2-CD1 3.5Å; V538-I551 VanDerWaalsContact CG2-CD1 3.5Å; V538-I551 HydrophobicContact CG2-CG1 4.32Å; I551-T553 PolarHBondContact O-N 2.93Å; I551-T553 VanDerWaalsContact O-N 3.1Å; I551-I554 HydrophobicContact CD1-CD1 4.38Å; I551-I554 PolarHBondContact O-N 3.29Å; I551-I625 HydrophobicContact CD1-CG2 4.23Å; I551-V628 HydrophobicContact CD1-CB 4.38Å; I551-V628 HydrophobicContact CD1-CG1 4.07Å; I551-V628 HydrophobicContact CG1-CG1 3.78Å; I551-V628 HydrophobicContact CG2-CG1 4.45Å; I551-Q629 HydrophobicContact CG2-CB 4.44Å; I551-Q629 HydrophobicContact CG2-CG 3.63Å; I551-Y632 HydrophobicContact CG2-CG 4.42Å
552	A	83.1	Confident	87.3	Confident	31 Å²	31	58 Å²	58	26%	0.256	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-59.9	-18.5	174.8	0	0	0	0	0	114.7	H550 Y573 Y632	H550-A552 WeakPolarHBondContact ND1-CB 3.25Å; H550-A552 PolarHBondContact ND1-N 2.97Å; H550-A552 PolarHBondContact O-N 2.98Å; H550-A552 VanDerWaalsContact O-N 3.15Å; A552-Y573 VanDerWaalsContact O-CD2 3.25Å; A552-Y573 WeakPolarHBondContact O-CD2 3.45Å; A552-Y573 WeakPolarHBondContact O-CE2 3.42Å; A552-Y632 HydrophobicContact CB-CE1 3.82Å; A552-Y632 HydrophobicContact CB-CE2 4.43Å; A552-Y632 WeakPolarHBondContact CB-OH 3.44Å
553	T	85.6	Confident	87.1	Confident	59 Å²	59	58.9 Å²	58.9	36%	0.362	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-88.6	-10.4	177	65.1	0	0	0	0	112.9	H550 I551 F572 Y573	H550-T553 HydrophobicContact CB-CG2 4.45Å; H550-T553 WeakPolarHBondContact O-CB 3.43Å; H550-T553 PolarHBondContact O-N 3.11Å; H550-T553 PolarHBondContact O-OG1 3.4Å; I551-T553 PolarHBondContact O-N 2.93Å; I551-T553 VanDerWaalsContact O-N 3.1Å; T553-F572 CarbonylContact O-C 3.6Å; T553-F572 VanDerWaalsContact O-CA 3.27Å; T553-F572 WeakPolarHBondContact O-CA 3.45Å; T553-F572 WeakPolarHBondContact O-CB 3.28Å; T553-Y573 PolarHBondContact O-N 3.49Å
554	I	87.1	Confident	86.9	Confident	3 Å²	3	53 Å²	53	2%	0.015	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.8	-177.1	-56.6	176.1	0	0	0	109.2	V538 I551 I570 N571 F572 Y573	V538-I554 HydrophobicContact CB-CD1 4.33Å; V538-I554 HydrophobicContact CG2-CD1 3.75Å; I551-I554 HydrophobicContact CD1-CD1 4.38Å; I551-I554 PolarHBondContact O-N 3.29Å; I554-I570 HydrophobicContact CD1-CG2 4.25Å; I554-I570 HydrophobicContact CG1-CG2 4.31Å; I554-I570 HydrophobicContact CG2-CG2 3.69Å; I554-N571 CarbonylContact C-O 3.51Å; I554-N571 WeakPolarHBondContact CG2-O 3.41Å; I554-F572 HydrophobicContact CD1-CE1 4.49Å; I554-F572 HydrophobicContact CG1-CD1 3.98Å; I554-F572 HydrophobicContact CG1-CE1 3.8Å; I554-Y573 WeakPolarHBondContact O-CE2 3.49Å
555	K	85.1	Confident	87.1	Confident	59 Å²	59	55 Å²	55	26%	0.257	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-58.8	179.4	176	173	179	178.6	0	112.1	N571 Y573 S577 S578	K555-N571 HydrophobicContact CB-CB 4.45Å; K555-N571 WeakPolarHBondContact CB-O 3.49Å; K555-N571 PolarHBondContact N-O 3.45Å; K555-Y573 HydrophobicContact CB-CD1 3.73Å; K555-Y573 HydrophobicContact CB-CE1 3.61Å; K555-Y573 HydrophobicContact CB-CE2 4.47Å; K555-Y573 HydrophobicContact CB-CG 4.19Å; K555-Y573 HydrophobicContact CD-CD1 4.3Å; K555-Y573 HydrophobicContact CD-CE1 4.23Å; K555-Y573 HydrophobicContact CG-CD1 4.05Å; K555-Y573 HydrophobicContact CG-CE1 3.64Å; K555-S577 WeakPolarHBondContact CD-OG 3.25Å; K555-S577 PolarHBondContact NZ-OG 3.39Å; K555-S578 WeakPolarHBondContact CE-OG 3.43Å; K555-S578 PolarHBondContact NZ-OG 2.86Å
556	N	87.1	Confident	87.1	Confident	71 Å²	71	49.6 Å²	49.6	38%	0.38	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	166.5	177.8	64.1	24.1	0	0	0	109.9	N571	N556-N571 PolarHBondContact N-O 3.16Å; N556-N571 PolarHBondContact O-N 2.9Å; N556-N571 VanDerWaalsContact OD1-CB 3.29Å; N556-N571 WeakPolarHBondContact OD1-CB 3.24Å; N556-N571 PolarHBondContact OD1-ND2 3.27Å
557	I	90.5	Very high	87.2	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.062	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.4	178	-169.6	170.8	0	0	0	108.6	L568 R569 I570 F622 I625 K626	I557-L568 HydrophobicContact CD1-CD1 3.65Å; I557-L568 HydrophobicContact CD1-CD2 4.21Å; I557-L568 HydrophobicContact CD1-CG 4.05Å; I557-L568 HydrophobicContact CG1-CD1 3.77Å; I557-L568 HydrophobicContact CG1-CG 4.32Å; I557-R569 CarbonylContact C-O 3.54Å; I557-R569 WeakPolarHBondContact CA-O 3.28Å; I557-R569 WeakPolarHBondContact CG1-O 3.43Å; I557-I570 HydrophobicContact CD1-CD1 4.17Å; I557-I570 HydrophobicContact CD1-CG1 3.68Å; I557-I570 HydrophobicContact CG1-CG1 3.78Å; I557-F622 HydrophobicContact CB-CD2 4.44Å; I557-F622 HydrophobicContact CD1-CD2 4.15Å; I557-F622 HydrophobicContact CG1-CD2 3.92Å; I557-F622 HydrophobicContact CG1-CE2 4.43Å; I557-F622 HydrophobicContact CG2-CD2 3.87Å; I557-F622 HydrophobicContact CG2-CE2 3.96Å; I557-F622 WeakPolarHBondContact O-CE2 3.48Å; I557-I625 HydrophobicContact CD1-CB 4.24Å; I557-I625 HydrophobicContact CD1-CD1 3.62Å; I557-I625 HydrophobicContact CD1-CG2 4.13Å; I557-I625 HydrophobicContact CG2-CG2 4.13Å; I557-K626 HydrophobicContact CG2-CG 4.03Å
558	S	90.3	Very high	87.4	Confident	54 Å²	54	48.8 Å²	48.8	38%	0.378	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.2	175.3	60	0	0	0	0	110.4	R569	S558-R569 PolarHBondContact N-O 3.27Å; S558-R569 PolarHBondContact O-N 2.97Å
559	M	90.3	Very high	87.4	Confident	69 Å²	69	51.7 Å²	51.7	34%	0.34	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.7	178.6	-176.3	-173.4	75.1	0	0	108.1	T566 Y567 L568 Q619 F622	M559-T566 HydrophobicContact CG-CG2 3.92Å; M559-T566 HydrophobicContact SD-CG2 4.13Å; M559-Y567 CarbonylContact C-O 3.56Å; M559-Y567 VanDerWaalsContact CA-O 3.28Å; M559-Y567 WeakPolarHBondContact CA-O 3.26Å; M559-L568 HydrophobicContact CB-CD1 4.25Å; M559-Q619 HydrophobicContact CE-CG 4.42Å; M559-Q619 HydrophobicContact SD-CB 4.48Å; M559-Q619 HydrophobicContact SD-CG 3.73Å; M559-F622 HydrophobicContact CB-CD2 4.1Å; M559-F622 HydrophobicContact CB-CE2 4.14Å; M559-F622 HydrophobicContact CB-CG 4.38Å; M559-F622 HydrophobicContact CB-CZ 4.45Å
560	S	89.4	Confident	87.5	Confident	57 Å²	57	50 Å²	50	40%	0.399	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.6	172.3	57.3	0	0	0	0	109.8	Y567	S560-Y567 PolarHBondContact N-O 2.79Å; S560-Y567 PolarHBondContact O-N 3.32Å
561	V	87	Confident	87.6	Confident	80 Å²	80	50.8 Å²	50.8	49%	0.485	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.1	177.6	-176.8	0	0	0	0	107.3	T566	V561-T566 HydrophobicContact CG2-CG2 4.23Å
562	E	85.1	Confident	87.7	Confident	122 Å²	122	51.1 Å²	51.1	57%	0.57	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	106	179.2	-63.2	172.5	-172.3	0	0	108.4	D564 Y565 Y567	E562-D564 PolarHBondContact O-N 3.4Å; E562-Y565 PolarHBondContact N-O 3.18Å; E562-Y565 PolarHBondContact O-N 3.21Å; E562-Y565 VanDerWaalsContact O-N 3.16Å; E562-Y567 HydrophobicContact CB-CE2 4.06Å; E562-Y567 HydrophobicContact CG-CD2 4.48Å; E562-Y567 HydrophobicContact CG-CE2 4.33Å
563	G	82.9	Confident	87.8	Confident	68 Å²	68	52 Å²	52	70%	0.701	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	-123.6	-176.6	0	0	0	0	0	112.9	Y565 N604	G563-Y565 PolarHBondContact O-N 3.11Å; G563-N604 PolarHBondContact O-ND2 2.9Å
564	D	81.7	Confident	87.6	Confident	89 Å²	89	50.3 Å²	50.3	48%	0.476	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	6.1	-177.4	-66.9	-31.7	0	0	0	114.3	E562 S603 N604 L605	E562-D564 PolarHBondContact O-N 3.4Å; D564-S603 CarbonylContact O-C 3.57Å; D564-S603 WeakPolarHBondContact O-CA 3.05Å; D564-S603 PolarHBondContact O-OG 2.93Å; D564-N604 WeakPolarHBondContact O-CB 3.39Å; D564-N604 PolarHBondContact O-N 2.65Å; D564-L605 HydrophobicContact CB-CD1 4.2Å; D564-L605 HydrophobicContact CB-CG 4.21Å
565	Y	84.7	Confident	86.7	Confident	99 Å²	99	52.3 Å²	52.3	39%	0.388	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.1	-177	-63.6	-82.9	0	0	0	112.7	E562 G563 R601 A602	E562-Y565 PolarHBondContact N-O 3.18Å; E562-Y565 PolarHBondContact O-N 3.21Å; E562-Y565 VanDerWaalsContact O-N 3.16Å; G563-Y565 PolarHBondContact O-N 3.11Å; Y565-R601 HydrophobicContact CD1-CG 3.83Å; Y565-R601 HydrophobicContact CG-CG 4.15Å; Y565-A602 WeakPolarHBondContact CA-O 3.45Å
566	T	87.9	Confident	85.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.4	168.8	-64	0	0	0	0	109.3	M559 V561 R601 A602 N604 L618	M559-T566 HydrophobicContact CG-CG2 3.92Å; M559-T566 HydrophobicContact SD-CG2 4.13Å; V561-T566 HydrophobicContact CG2-CG2 4.23Å; T566-R601 WeakPolarHBondContact O-CA 3.44Å; T566-A602 PolarHBondContact N-O 3.15Å; T566-A602 PolarHBondContact O-N 3.41Å; T566-N604 PolarHBondContact OG1-OD1 3.1Å; T566-L618 HydrophobicContact CG2-CB 4.45Å; T566-L618 HydrophobicContact CG2-CD2 4.38Å
567	Y	89.6	Confident	84.5	Confident	55 Å²	55	51.1 Å²	51.1	22%	0.216	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.2	175.2	-64.1	-91	0	0	0	110.5	M559 S560 E562 T599 Y600 R601	M559-Y567 CarbonylContact C-O 3.56Å; M559-Y567 VanDerWaalsContact CA-O 3.28Å; M559-Y567 WeakPolarHBondContact CA-O 3.26Å; S560-Y567 PolarHBondContact N-O 2.79Å; S560-Y567 PolarHBondContact O-N 3.32Å; E562-Y567 HydrophobicContact CB-CE2 4.06Å; E562-Y567 HydrophobicContact CG-CD2 4.48Å; E562-Y567 HydrophobicContact CG-CE2 4.33Å; Y567-T599 HydrophobicContact CD1-CG2 4.06Å; Y567-Y600 CarbonylContact C-O 3.45Å; Y567-Y600 VanDerWaalsContact CA-O 3.26Å; Y567-Y600 WeakPolarHBondContact CA-O 3.37Å; Y567-R601 HydrophobicContact CD1-CB 3.9Å; Y567-R601 HydrophobicContact CD1-CG 3.99Å; Y567-R601 HydrophobicContact CE1-CB 3.82Å; Y567-R601 VanDerWaalsContact CE1-CD 3.46Å; Y567-R601 HydrophobicContact CE1-CG 3.59Å; Y567-R601 WeakPolarHBondContact OH-CD 3.38Å
568	L	91.1	Very high	82.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	109.7	173	-175.6	68.6	0	0	0	108.7	I529 I557 M559 I570 T599 Y600 L618 A621 F622	I529-L568 HydrophobicContact CD1-CD2 3.95Å; I557-L568 HydrophobicContact CD1-CD1 3.65Å; I557-L568 HydrophobicContact CD1-CD2 4.21Å; I557-L568 HydrophobicContact CD1-CG 4.05Å; I557-L568 HydrophobicContact CG1-CD1 3.77Å; I557-L568 HydrophobicContact CG1-CG 4.32Å; M559-L568 HydrophobicContact CB-CD1 4.25Å; L568-I570 HydrophobicContact CD2-CD1 4.33Å; L568-I570 HydrophobicContact CG-CG1 4.39Å; L568-T599 CarbonylContact O-C 3.57Å; L568-T599 WeakPolarHBondContact O-CA 3.05Å; L568-Y600 PolarHBondContact N-O 3.33Å; L568-Y600 PolarHBondContact O-N 2.8Å; L568-L618 HydrophobicContact CB-CB 4.3Å; L568-L618 HydrophobicContact CB-CD2 3.85Å; L568-L618 HydrophobicContact CB-CG 4Å; L568-L618 HydrophobicContact CD2-CB 4.36Å; L568-L618 HydrophobicContact CD2-CG 4.23Å; L568-A621 HydrophobicContact CD2-CB 4.42Å; L568-F622 HydrophobicContact CD1-CB 3.86Å; L568-F622 HydrophobicContact CD1-CD2 3.9Å; L568-F622 HydrophobicContact CD1-CG 4.33Å
569	R	91.8	Very high	80.8	Confident	106 Å²	106	56.1 Å²	56.1	40%	0.4	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.2	179.9	-172.2	178.5	-157.4	173.1	5	109.9	I557 S558 E597	I557-R569 CarbonylContact C-O 3.54Å; I557-R569 WeakPolarHBondContact CA-O 3.28Å; I557-R569 WeakPolarHBondContact CG1-O 3.43Å; S558-R569 PolarHBondContact N-O 3.27Å; S558-R569 PolarHBondContact O-N 2.97Å; R569-E597 IonicContact CZ-OE1 4Å; R569-E597 VanDerWaalsContact CZ-OE1 3.32Å; R569-E597 IonicContact CZ-OE2 3.12Å; R569-E597 VanDerWaalsContact CZ-OE2 3.23Å; R569-E597 IonicContact NE-OE1 2.85Å; R569-E597 PolarHBondContact NE-OE1 2.94Å; R569-E597 IonicContact NE-OE2 3.33Å; R569-E597 PolarHBondContact NE-OE2 2.91Å; R569-E597 VanDerWaalsContact NE-OE2 3.11Å; R569-E597 IonicContact NH2-OE1 3.44Å; R569-E597 PolarHBondContact NH2-OE1 2.86Å; R569-E597 IonicContact NH2-OE2 2.63Å; R569-E597 PolarHBondContact NH2-OE2 3.27Å
570	I	91.7	Very high	78.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	113.7	-178.7	-60	169.4	0	0	0	107.1	M540 I554 I557 L568 F572 E597 I598	M540-I570 HydrophobicContact CE-CD1 4.23Å; M540-I570 HydrophobicContact SD-CD1 3.23Å; M540-I570 WeakPolarHBondContact SD-CD1 3.46Å; I554-I570 HydrophobicContact CD1-CG2 4.25Å; I554-I570 HydrophobicContact CG1-CG2 4.31Å; I554-I570 HydrophobicContact CG2-CG2 3.69Å; I557-I570 HydrophobicContact CD1-CD1 4.17Å; I557-I570 HydrophobicContact CD1-CG1 3.68Å; I557-I570 HydrophobicContact CG1-CG1 3.78Å; L568-I570 HydrophobicContact CD2-CD1 4.33Å; L568-I570 HydrophobicContact CG-CG1 4.39Å; I570-F572 HydrophobicContact CB-CE2 4.48Å; I570-F572 HydrophobicContact CG2-CE1 4.38Å; I570-F572 HydrophobicContact CG2-CE2 3.99Å; I570-F572 HydrophobicContact CG2-CZ 3.89Å; I570-E597 CarbonylContact O-C 3.5Å; I570-E597 WeakPolarHBondContact O-CA 3.2Å; I570-I598 PolarHBondContact N-O 2.79Å; I570-I598 PolarHBondContact O-N 3.39Å
571	N	90.9	Very high	76.4	Confident	30 Å²	30	64.3 Å²	64.3	16%	0.16	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	135.8	177.8	-61.1	-46.9	0	0	0	109.5	I554 K555 N556 E597	I554-N571 CarbonylContact C-O 3.51Å; I554-N571 WeakPolarHBondContact CG2-O 3.41Å; K555-N571 HydrophobicContact CB-CB 4.45Å; K555-N571 WeakPolarHBondContact CB-O 3.49Å; K555-N571 PolarHBondContact N-O 3.45Å; N556-N571 PolarHBondContact N-O 3.16Å; N556-N571 PolarHBondContact O-N 2.9Å; N556-N571 VanDerWaalsContact OD1-CB 3.29Å; N556-N571 WeakPolarHBondContact OD1-CB 3.24Å; N556-N571 PolarHBondContact OD1-ND2 3.27Å; N571-E597 VanDerWaalsContact OD1-CB 3.24Å; N571-E597 WeakPolarHBondContact OD1-CB 3.48Å; N571-E597 PolarHBondContact OD1-OE2 2.82Å
572	F	88.9	Confident	74.2	Confident	10 Å²	10	68.2 Å²	68.2	4%	0.044	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	160	179.4	-62.8	-90.8	0	0	0	110.9	M540 F549 T553 I554 I570 V574 V595 K596 I598	M540-F572 HydrophobicContact CE-CE1 4.2Å; M540-F572 HydrophobicContact CE-CZ 3.67Å; F549-F572 HydrophobicContact CB-CE1 3.98Å; F549-F572 HydrophobicContact CD1-CD1 4.29Å; F549-F572 AromaticContact CD1-CE1 3.5Å; F549-F572 HydrophobicContact CD1-CE1 3.5Å; F549-F572 VanDerWaalsContact CD1-CE1 3.5Å; F549-F572 AromaticContact CD1-CZ 3.98Å; F549-F572 HydrophobicContact CD1-CZ 3.98Å; F549-F572 HydrophobicContact CE1-CE1 4.08Å; F549-F572 HydrophobicContact CE1-CZ 4.19Å; F549-F572 AromaticContact CG-CE1 3.76Å; F549-F572 HydrophobicContact CG-CE1 3.76Å; F549-F572 HydrophobicContact CG-CZ 4.14Å; T553-F572 CarbonylContact O-C 3.6Å; T553-F572 VanDerWaalsContact O-CA 3.27Å; T553-F572 WeakPolarHBondContact O-CA 3.45Å; T553-F572 WeakPolarHBondContact O-CB 3.28Å; I554-F572 HydrophobicContact CD1-CE1 4.49Å; I554-F572 HydrophobicContact CG1-CD1 3.98Å; I554-F572 HydrophobicContact CG1-CE1 3.8Å; I570-F572 HydrophobicContact CB-CE2 4.48Å; I570-F572 HydrophobicContact CG2-CE1 4.38Å; I570-F572 HydrophobicContact CG2-CE2 3.99Å; I570-F572 HydrophobicContact CG2-CZ 3.89Å; F572-V574 PolarHBondContact O-N 3.49Å; F572-V595 VanDerWaalsContact CB-O 3.29Å; F572-V595 WeakPolarHBondContact CB-O 3.46Å; F572-V595 HydrophobicContact CD2-CG1 3.95Å; F572-V595 HydrophobicContact CE2-CG1 4.14Å; F572-K596 PolarHBondContact N-O 2.78Å; F572-I598 HydrophobicContact CE2-CB 4.2Å; F572-I598 HydrophobicContact CE2-CD1 3.68Å; F572-I598 HydrophobicContact CE2-CG1 3.76Å; F572-I598 HydrophobicContact CZ-CD1 3.88Å; F572-I598 HydrophobicContact CZ-CG1 4.44Å
573	Y	84.3	Confident	72.2	Confident	48 Å²	48	67.5 Å²	67.5	19%	0.188	37%	0.368	C	S	.	.			trans	-73.7	125.4	170.2	-68.1	-62.7	0	0	0	110	A552 T553 I554 K555 L579	A552-Y573 VanDerWaalsContact O-CD2 3.25Å; A552-Y573 WeakPolarHBondContact O-CD2 3.45Å; A552-Y573 WeakPolarHBondContact O-CE2 3.42Å; T553-Y573 PolarHBondContact O-N 3.49Å; I554-Y573 WeakPolarHBondContact O-CE2 3.49Å; K555-Y573 HydrophobicContact CB-CD1 3.73Å; K555-Y573 HydrophobicContact CB-CE1 3.61Å; K555-Y573 HydrophobicContact CB-CE2 4.47Å; K555-Y573 HydrophobicContact CB-CG 4.19Å; K555-Y573 HydrophobicContact CD-CD1 4.3Å; K555-Y573 HydrophobicContact CD-CE1 4.23Å; K555-Y573 HydrophobicContact CG-CD1 4.05Å; K555-Y573 HydrophobicContact CG-CE1 3.64Å; Y573-L579 HydrophobicContact CD1-CB 4.48Å; Y573-L579 HydrophobicContact CD1-CD1 3.87Å; Y573-L579 HydrophobicContact CE1-CB 4.49Å; Y573-L579 HydrophobicContact CE1-CD1 3.12Å; Y573-L579 HydrophobicContact CE1-CG 4.39Å
574	V	81.3	Confident	70.7	Confident	24 Å²	24	66.3 Å²	66.3	15%	0.145	36%	0.356	C	S	.	.			trans	-125.5	149.9	174.4	-61.2	0	0	0	0	109.6	F572 G576 S577 F594 V595 K596	F572-V574 PolarHBondContact O-N 3.49Å; V574-G576 PolarHBondContact O-N 3.5Å; V574-S577 VanDerWaalsContact CG2-CB 3.45Å; V574-S577 WeakPolarHBondContact O-CB 3.47Å; V574-S577 PolarHBondContact O-N 2.97Å; V574-F594 HydrophobicContact CB-CB 4.27Å; V574-F594 HydrophobicContact CG1-CB 3.76Å; V574-V595 VanDerWaalsContact CG1-O 3.24Å; V574-V595 WeakPolarHBondContact CG1-O 3.38Å; V574-K596 HydrophobicContact CG1-CB 4.24Å
575	P	69.7	Low	69.2	Low	46 Å²	46	66.7 Å²	66.7	30%	0.299	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	127.6	170.3	-25.3	33.8	0	0	0	110.6	F587 F594	P575-F587 HydrophobicContact CG-CD2 4.14Å; P575-F587 HydrophobicContact CG-CE2 4.39Å; P575-F587 HydrophobicContact CG-CG 4.46Å; P575-F594 HydrophobicContact CG-CD2 3.56Å; P575-F594 HydrophobicContact CG-CE2 3.37Å; P575-F594 HydrophobicContact CG-CG 4.43Å; P575-F594 HydrophobicContact CG-CZ 4.11Å
576	G	63.5	Low	67.8	Low	82 Å²	82	65.9 Å²	65.9	85%	0.845	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-14.3	-175.3	0	0	0	0	0	115.9	V574 S578	V574-G576 PolarHBondContact O-N 3.5Å; G576-S578 PolarHBondContact O-N 3.3Å; G576-S578 VanDerWaalsContact O-N 3.12Å
577	S	61	Low	66.6	Low	22 Å²	22	67.7 Å²	67.7	15%	0.154	37%	0.367	C	S	.	.	S	Bend	trans	-82	87.3	172.3	158.8	0	0	0	0	111	K555 V574 L579	K555-S577 WeakPolarHBondContact CD-OG 3.25Å; K555-S577 PolarHBondContact NZ-OG 3.39Å; V574-S577 VanDerWaalsContact CG2-CB 3.45Å; V574-S577 WeakPolarHBondContact O-CB 3.47Å; V574-S577 PolarHBondContact O-N 2.97Å; S577-L579 PolarHBondContact O-N 3.36Å
578	S	53.4	Low	65.4	Low	98 Å²	98	71.1 Å²	71.1	69%	0.685	40%	0.397	S	S	*	.	S	Bend	trans	46.8	5.4	160.5	68.4	0	0	0	0	119.6	K555 G576	K555-S578 WeakPolarHBondContact CE-OG 3.43Å; K555-S578 PolarHBondContact NZ-OG 2.86Å; G576-S578 PolarHBondContact O-N 3.3Å; G576-S578 VanDerWaalsContact O-N 3.12Å
579	L	50	Low	64.4	Low	73 Å²	73	75.3 Å²	75.3	38%	0.382	42%	0.419	S	S	.	.	S	Bend	trans	-131.8	99.7	171.5	-107.6	148.7	0	0	0	105.4	Y573 S577 I586	Y573-L579 HydrophobicContact CD1-CB 4.48Å; Y573-L579 HydrophobicContact CD1-CD1 3.87Å; Y573-L579 HydrophobicContact CE1-CB 4.49Å; Y573-L579 HydrophobicContact CE1-CD1 3.12Å; Y573-L579 HydrophobicContact CE1-CG 4.39Å; S577-L579 PolarHBondContact O-N 3.36Å; L579-I586 HydrophobicContact CD2-CD1 4.04Å
580	G	43.9	Very low	63.2	Low	41 Å²	41	72.9 Å²	72.9	42%	0.423	42%	0.417	S	S	.	.	S	Bend	trans	147.5	6.2	-178.4	0	0	0	0	0	116.5
581	R	43.7	Very low	62.3	Low	257 Å²	257	80.1 Å²	80.1	97%	0.97	46%	0.456	S	S	*	.	S	Bend	trans	-88.8	-9.9	169.2	-82.6	-168.9	-179.9	175.4	-0	114.5
582	Q	40.7	Very low	61.8	Low	163 Å²	163	80.6 Å²	80.6	76%	0.762	46%	0.464	S	S	*	.	S	Bend	trans	-137.3	-17.1	-178.6	-76	-169	-28.6	0	0	115.9
583	E	43	Very low	61.5	Low	107 Å²	107	87.3 Å²	87.3	50%	0.5	51%	0.506	S	S	.	.	S	Bend	trans	-123.2	122.8	172.6	-67.4	-177.2	174.8	0	0	105.9	K640	E583-K640 IonicContact OE1-NZ 3.94Å; E583-K640 PolarHBondContact OE1-NZ 3.16Å; E583-K640 IonicContact OE2-NZ 2.66Å; E583-K640 PolarHBondContact OE2-NZ 2.97Å
584	G	51.1	Low	61.5	Low	43 Å²	43	88.7 Å²	88.7	44%	0.443	51%	0.513	S	S	.	.			trans	-47.9	160	-171.8	0	0	0	0	0	114.1	I586	G584-I586 PolarHBondContact O-N 3.43Å
585	N	49.8	Very low	61.7	Low	97 Å²	97	91 Å²	91	52%	0.519	53%	0.527	S	S	.	.			trans	-45.9	105	-173.5	-85.7	-19.1	0	0	0	112.3	F587	N585-F587 PolarHBondContact O-N 2.77Å
586	I	56.5	Low	62.5	Low	81 Å²	81	95.7 Å²	95.7	42%	0.415	54%	0.543	S	S	.	.			trans	-66.9	-14.3	174.7	-46	170.8	0	0	0	110.1	L579 G584	L579-I586 HydrophobicContact CD2-CD1 4.04Å; G584-I586 PolarHBondContact O-N 3.43Å
587	F	62.6	Low	63.8	Low	38 Å²	38	95 Å²	95	17%	0.167	52%	0.517	C	S	.	.	S	Bend	trans	-88.2	121.5	178.5	-58.8	-76.5	0	0	0	110.5	P575 N585 N589 F594	P575-F587 HydrophobicContact CG-CD2 4.14Å; P575-F587 HydrophobicContact CG-CE2 4.39Å; P575-F587 HydrophobicContact CG-CG 4.46Å; N585-F587 PolarHBondContact O-N 2.77Å; F587-N589 PolarHBondContact O-N 3.11Å; F587-N589 VanDerWaalsContact O-N 3.11Å; F587-F594 HydrophobicContact CB-CZ 4.11Å; F587-F594 HydrophobicContact CD1-CD1 4.4Å; F587-F594 AromaticContact CD1-CE1 3.56Å; F587-F594 HydrophobicContact CD1-CE1 3.56Å; F587-F594 AromaticContact CD1-CZ 3.8Å; F587-F594 HydrophobicContact CD1-CZ 3.8Å; F587-F594 HydrophobicContact CE1-CD1 4.38Å; F587-F594 AromaticContact CE1-CE1 3.96Å; F587-F594 HydrophobicContact CE1-CE1 3.96Å; F587-F594 HydrophobicContact CE1-CZ 4.5Å; F587-F594 HydrophobicContact CG-CE1 4.31Å; F587-F594 HydrophobicContact CG-CZ 4.09Å
588	P	65	Low	65.3	Low	128 Å²	128	95.4 Å²	95.4	83%	0.831	52%	0.518	S	S	*	.	S	Bend	trans	-65	-14.2	177.8	24.9	-32.8	0	0	0	113.5
589	N	69.6	Low	67.1	Low	87 Å²	87	94 Å²	94	47%	0.465	51%	0.505	S	S	.	.			trans	-141.1	103.3	173.1	-170	-7.9	0	0	0	110	F587 D591 A592 F594	F587-N589 PolarHBondContact O-N 3.11Å; F587-N589 VanDerWaalsContact O-N 3.11Å; N589-D591 VanDerWaalsContact C-N 3.33Å; N589-D591 PolarHBondContact O-N 3.46Å; N589-D591 PolarHBondContact OD1-N 2.96Å; N589-A592 HydrophobicContact CB-CB 4.16Å; N589-F594 WeakPolarHBondContact O-CE2 3.44Å; N589-F594 VanDerWaalsContact O-CZ 3.29Å; N589-F594 WeakPolarHBondContact O-CZ 3.36Å
590	P	66	Low	69	Low	56 Å²	56	92.4 Å²	92.4	36%	0.364	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.7	-177.2	27.6	-33.3	0	0	0	113.7
591	D	73.9	Confident	71.2	Confident	152 Å²	152	98 Å²	98	81%	0.813	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	4.6	-176.8	-60.1	-34	0	0	0	113.3	N589	N589-D591 VanDerWaalsContact C-N 3.33Å; N589-D591 PolarHBondContact O-N 3.46Å; N589-D591 PolarHBondContact OD1-N 2.96Å
592	A	79.7	Confident	73.2	Confident	40 Å²	40	86.4 Å²	86.4	33%	0.331	46%	0.462	S	S	.	.	S	Bend	trans	-70.5	155.2	177	0	0	0	0	0	111.7	N589 F594	N589-A592 HydrophobicContact CB-CB 4.16Å; A592-F594 HydrophobicContact CB-CD2 4.47Å; A592-F594 HydrophobicContact CB-CE2 3.79Å; A592-F594 HydrophobicContact CB-CZ 3.97Å; A592-F594 WeakPolarHBondContact O-CD2 3.29Å; A592-F594 VanDerWaalsContact O-CE2 3.22Å; A592-F594 WeakPolarHBondContact O-CE2 3.49Å; A592-F594 PolarHBondContact O-N 2.87Å
593	T	82.5	Confident	75.3	Confident	151 Å²	151	80.1 Å²	80.1	93%	0.926	44%	0.436	S	S	*	.			trans	-78.7	117	174	-26.8	0	0	0	0	109.5
594	F	84	Confident	77	Confident	76 Å²	76	77.2 Å²	77.2	33%	0.333	42%	0.423	S	S	.	.			trans	-107.2	149.9	179.8	-64.6	-90.3	0	0	0	112.2	V574 P575 F587 N589 A592	V574-F594 HydrophobicContact CB-CB 4.27Å; V574-F594 HydrophobicContact CG1-CB 3.76Å; P575-F594 HydrophobicContact CG-CD2 3.56Å; P575-F594 HydrophobicContact CG-CE2 3.37Å; P575-F594 HydrophobicContact CG-CG 4.43Å; P575-F594 HydrophobicContact CG-CZ 4.11Å; F587-F594 HydrophobicContact CB-CZ 4.11Å; F587-F594 HydrophobicContact CD1-CD1 4.4Å; F587-F594 AromaticContact CD1-CE1 3.56Å; F587-F594 HydrophobicContact CD1-CE1 3.56Å; F587-F594 AromaticContact CD1-CZ 3.8Å; F587-F594 HydrophobicContact CD1-CZ 3.8Å; F587-F594 HydrophobicContact CE1-CD1 4.38Å; F587-F594 AromaticContact CE1-CE1 3.96Å; F587-F594 HydrophobicContact CE1-CE1 3.96Å; F587-F594 HydrophobicContact CE1-CZ 4.5Å; F587-F594 HydrophobicContact CG-CE1 4.31Å; F587-F594 HydrophobicContact CG-CZ 4.09Å; N589-F594 WeakPolarHBondContact O-CE2 3.44Å; N589-F594 VanDerWaalsContact O-CZ 3.29Å; N589-F594 WeakPolarHBondContact O-CZ 3.36Å; A592-F594 HydrophobicContact CB-CD2 4.47Å; A592-F594 HydrophobicContact CB-CE2 3.79Å; A592-F594 HydrophobicContact CB-CZ 3.97Å; A592-F594 WeakPolarHBondContact O-CD2 3.29Å; A592-F594 VanDerWaalsContact O-CE2 3.22Å; A592-F594 WeakPolarHBondContact O-CE2 3.49Å; A592-F594 PolarHBondContact O-N 2.87Å
595	V	86.5	Confident	78.2	Confident	73 Å²	73	79.9 Å²	79.9	44%	0.442	43%	0.427	S	S	.	.			trans	-81.9	128	170	177.7	0	0	0	0	108.3	F572 V574 I598	F572-V595 VanDerWaalsContact CB-O 3.29Å; F572-V595 WeakPolarHBondContact CB-O 3.46Å; F572-V595 HydrophobicContact CD2-CG1 3.95Å; F572-V595 HydrophobicContact CE2-CG1 4.14Å; V574-V595 VanDerWaalsContact CG1-O 3.24Å; V574-V595 WeakPolarHBondContact CG1-O 3.38Å; V595-I598 HydrophobicContact CG1-CD1 4.23Å; V595-I598 HydrophobicContact CG1-CG1 3.91Å
596	K	86.7	Confident	79.3	Confident	145 Å²	145	81.9 Å²	81.9	63%	0.63	43%	0.431	S	S	*	.			trans	-83.3	-48	177.1	-177.5	-179.1	176.5	-176.9	0	112.2	F572 V574	F572-K596 PolarHBondContact N-O 2.78Å; V574-K596 HydrophobicContact CG1-CB 4.24Å
597	E	90.7	Very high	79.8	Confident	66 Å²	66	80.3 Å²	80.3	31%	0.308	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	154.1	-176.2	60.1	177.3	-127	0	0	111.9	R569 I570 N571	R569-E597 IonicContact CZ-OE1 4Å; R569-E597 VanDerWaalsContact CZ-OE1 3.32Å; R569-E597 IonicContact CZ-OE2 3.12Å; R569-E597 VanDerWaalsContact CZ-OE2 3.23Å; R569-E597 IonicContact NE-OE1 2.85Å; R569-E597 PolarHBondContact NE-OE1 2.94Å; R569-E597 IonicContact NE-OE2 3.33Å; R569-E597 PolarHBondContact NE-OE2 2.91Å; R569-E597 VanDerWaalsContact NE-OE2 3.11Å; R569-E597 IonicContact NH2-OE1 3.44Å; R569-E597 PolarHBondContact NH2-OE1 2.86Å; R569-E597 IonicContact NH2-OE2 2.63Å; R569-E597 PolarHBondContact NH2-OE2 3.27Å; I570-E597 CarbonylContact O-C 3.5Å; I570-E597 WeakPolarHBondContact O-CA 3.2Å; N571-E597 VanDerWaalsContact OD1-CB 3.24Å; N571-E597 WeakPolarHBondContact OD1-CB 3.48Å; N571-E597 PolarHBondContact OD1-OE2 2.82Å
598	I	91.5	Very high	79.4	Confident	31 Å²	31	85.4 Å²	85.4	16%	0.159	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.5	170.2	-62.2	171.3	0	0	0	107.7	F549 I570 F572 V595 Y600	F549-I598 HydrophobicContact CE2-CD1 4.41Å; F549-I598 HydrophobicContact CZ-CD1 4.16Å; I570-I598 PolarHBondContact N-O 2.79Å; I570-I598 PolarHBondContact O-N 3.39Å; F572-I598 HydrophobicContact CE2-CB 4.2Å; F572-I598 HydrophobicContact CE2-CD1 3.68Å; F572-I598 HydrophobicContact CE2-CG1 3.76Å; F572-I598 HydrophobicContact CZ-CD1 3.88Å; F572-I598 HydrophobicContact CZ-CG1 4.44Å; V595-I598 HydrophobicContact CG1-CD1 4.23Å; V595-I598 HydrophobicContact CG1-CG1 3.91Å; I598-Y600 HydrophobicContact CG2-CD2 4.11Å; I598-Y600 HydrophobicContact CG2-CE2 3.62Å
599	T	91.7	Very high	79.3	Confident	70 Å²	70	83 Å²	83	43%	0.429	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.5	177.6	-55.4	0	0	0	0	109.9	Y567 L568	Y567-T599 HydrophobicContact CD1-CG2 4.06Å; L568-T599 CarbonylContact O-C 3.57Å; L568-T599 WeakPolarHBondContact O-CA 3.05Å
600	Y	90.6	Very high	79.1	Confident	38 Å²	38	82.9 Å²	82.9	15%	0.149	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140.5	171.9	-73.9	-73.1	0	0	0	110.6	I529 M540 P541 Y567 L568 I598	I529-Y600 HydrophobicContact CD1-CD2 3.78Å; I529-Y600 HydrophobicContact CD1-CE2 4.18Å; I529-Y600 HydrophobicContact CD1-CG 4.15Å; M540-Y600 HydrophobicContact CB-CE2 4.12Å; M540-Y600 WeakPolarHBondContact CB-OH 3.38Å; M540-Y600 HydrophobicContact CG-CE2 4.34Å; M540-Y600 HydrophobicContact SD-CE2 3.99Å; P541-Y600 WeakPolarHBondContact CD-OH 3.19Å; P541-Y600 HydrophobicContact CG-CE1 3.9Å; P541-Y600 WeakPolarHBondContact O-CE1 3.36Å; P541-Y600 PolarHBondContact O-OH 3.13Å; Y567-Y600 CarbonylContact C-O 3.45Å; Y567-Y600 VanDerWaalsContact CA-O 3.26Å; Y567-Y600 WeakPolarHBondContact CA-O 3.37Å; L568-Y600 PolarHBondContact N-O 3.33Å; L568-Y600 PolarHBondContact O-N 2.8Å; I598-Y600 HydrophobicContact CG2-CD2 4.11Å; I598-Y600 HydrophobicContact CG2-CE2 3.62Å
601	R	88.8	Confident	79	Confident	160 Å²	160	87 Å²	87	60%	0.604	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.5	173.9	-176.2	-177.4	66.9	-171	0.6	109.5	Y565 T566 Y567	Y565-R601 HydrophobicContact CD1-CG 3.83Å; Y565-R601 HydrophobicContact CG-CG 4.15Å; T566-R601 WeakPolarHBondContact O-CA 3.44Å; Y567-R601 HydrophobicContact CD1-CB 3.9Å; Y567-R601 HydrophobicContact CD1-CG 3.99Å; Y567-R601 HydrophobicContact CE1-CB 3.82Å; Y567-R601 VanDerWaalsContact CE1-CD 3.46Å; Y567-R601 HydrophobicContact CE1-CG 3.59Å; Y567-R601 WeakPolarHBondContact OH-CD 3.38Å
602	A	86.8	Confident	78.7	Confident	13 Å²	13	82.9 Å²	82.9	11%	0.107	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.4	173.1	0	0	0	0	0	110.8	Y565 T566 P614 L618	Y565-A602 WeakPolarHBondContact CA-O 3.45Å; T566-A602 PolarHBondContact N-O 3.15Å; T566-A602 PolarHBondContact O-N 3.41Å; A602-P614 HydrophobicContact CB-CB 4.26Å; A602-L618 HydrophobicContact CB-CD1 3.75Å; A602-L618 HydrophobicContact CB-CD2 3.8Å; A602-L618 HydrophobicContact CB-CG 4.39Å
603	S	84.4	Confident	78.5	Confident	30 Å²	30	83 Å²	83	21%	0.21	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.5	177.2	-173.8	0	0	0	0	111.4	D564 L605 S615	D564-S603 CarbonylContact O-C 3.57Å; D564-S603 WeakPolarHBondContact O-CA 3.05Å; D564-S603 PolarHBondContact O-OG 2.93Å; S603-L605 VanDerWaalsContact C-N 3.31Å; S603-L605 PolarHBondContact OG-N 3.1Å; S603-L605 VanDerWaalsContact OG-N 3.13Å; S603-S615 PolarHBondContact O-N 3.5Å
604	N	79.1	Confident	78.1	Confident	46 Å²	46	78.3 Å²	78.3	25%	0.246	44%	0.441	C	S	.	.	S	Bend	trans	-84.8	-6.4	171.4	-63.9	-27.8	0	0	0	112.2	G563 D564 T566 V613 S615	G563-N604 PolarHBondContact O-ND2 2.9Å; D564-N604 WeakPolarHBondContact O-CB 3.39Å; D564-N604 PolarHBondContact O-N 2.65Å; T566-N604 PolarHBondContact OG1-OD1 3.1Å; N604-V613 VanDerWaalsContact O-CG1 3.29Å; N604-V613 WeakPolarHBondContact O-CG1 3.45Å; N604-S615 WeakPolarHBondContact OD1-CB 3.39Å; N604-S615 PolarHBondContact OD1-OG 2.83Å
605	L	76.5	Confident	77.8	Confident	99 Å²	99	75.1 Å²	75.1	52%	0.518	43%	0.428	S	S	.	.	S	Bend	trans	-86.4	138.3	-179.8	-59.5	173.6	0	0	0	110.9	D564 S603	D564-L605 HydrophobicContact CB-CD1 4.2Å; D564-L605 HydrophobicContact CB-CG 4.21Å; S603-L605 VanDerWaalsContact C-N 3.31Å; S603-L605 PolarHBondContact OG-N 3.1Å; S603-L605 VanDerWaalsContact OG-N 3.13Å
606	K	72.6	Confident	77.6	Confident	139 Å²	139	74.1 Å²	74.1	60%	0.604	42%	0.422	S	S	*	.			trans	-89.6	114.6	177.4	-173.2	176.9	-179	177.1	0	110	D610	K606-D610 WeakPolarHBondContact CE-O 3.44Å
607	A	67.2	Low	77.4	Confident	49 Å²	49	69 Å²	69	41%	0.405	40%	0.402	S	S	.	.			trans	-72.3	144.3	172.2	0	0	0	0	0	111	G609 D610	A607-G609 PolarHBondContact O-N 3.15Å; A607-D610 PolarHBondContact O-N 3.49Å
608	P	53.9	Low	77.2	Confident	144 Å²	144	66.4 Å²	66.4	94%	0.935	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	107.8	177.2	-18.8	31	0	0	0	111.1
609	G	63.3	Low	76.9	Confident	77 Å²	77	68.8 Å²	68.8	79%	0.794	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	125	-17	-178.8	0	0	0	0	0	114.7	A607	A607-G609 PolarHBondContact O-N 3.15Å
610	D	65	Low	76.6	Confident	86 Å²	86	69.7 Å²	69.7	46%	0.46	40%	0.403	S	S	.	.			trans	-87.9	135.2	178.2	-80.5	-31.5	0	0	0	112.7	K606 A607	K606-D610 WeakPolarHBondContact CE-O 3.44Å; A607-D610 PolarHBondContact O-N 3.49Å
611	T	64.4	Low	76.4	Confident	143 Å²	143	68.1 Å²	68.1	88%	0.877	40%	0.397	S	S	*	.	S	Bend	trans	-73.9	-26	-176.8	-30.4	0	0	0	0	112.9
612	S	67.2	Low	76.4	Confident	65 Å²	65	62.4 Å²	62.4	46%	0.455	38%	0.377	S	S	.	.	S	Bend	trans	-142.8	150.7	-175.5	60.4	0	0	0	0	111.8
613	V	76.1	Confident	76.5	Confident	42 Å²	42	71 Å²	71	26%	0.255	41%	0.406	S	S	.	.			trans	-66.5	131.1	174.4	-172.6	0	0	0	0	109.5	N604 S615 T616	N604-V613 VanDerWaalsContact O-CG1 3.29Å; N604-V613 WeakPolarHBondContact O-CG1 3.45Å; V613-S615 VanDerWaalsContact CG1-OG 3.26Å; V613-S615 WeakPolarHBondContact CG1-OG 3.23Å; V613-S615 PolarHBondContact O-N 3.18Å; V613-T616 WeakPolarHBondContact O-CB 3.35Å; V613-T616 PolarHBondContact O-N 3Å; V613-T616 PolarHBondContact O-OG1 3.24Å; V613-T616 VanDerWaalsContact O-OG1 3.12Å
614	P	73	Confident	76.6	Confident	53 Å²	53	71.8 Å²	71.8	34%	0.344	41%	0.408	S	S	.	.	H	α-helix	trans	-56.6	-32.2	-180	-28.8	36.6	0	0	0	114.3	A602 T616 N617	A602-P614 HydrophobicContact CB-CB 4.26Å; P614-T616 VanDerWaalsContact C-N 3.28Å; P614-T616 PolarHBondContact O-N 3.45Å; P614-N617 PolarHBondContact O-N 3.47Å
615	S	78.4	Confident	77	Confident	8 Å²	8	69.6 Å²	69.6	6%	0.056	40%	0.396	C	S	.	.	H	α-helix	trans	-66.4	-23.7	176.9	62.8	0	0	0	0	114.6	S603 N604 V613 N617 L618 Q619	S603-S615 PolarHBondContact O-N 3.5Å; N604-S615 WeakPolarHBondContact OD1-CB 3.39Å; N604-S615 PolarHBondContact OD1-OG 2.83Å; V613-S615 VanDerWaalsContact CG1-OG 3.26Å; V613-S615 WeakPolarHBondContact CG1-OG 3.23Å; V613-S615 PolarHBondContact O-N 3.18Å; S615-N617 PolarHBondContact O-N 2.88Å; S615-L618 PolarHBondContact O-N 2.86Å; S615-L618 VanDerWaalsContact O-N 3.12Å; S615-Q619 PolarHBondContact O-N 3.04Å; S615-Q619 VanDerWaalsContact O-N 3.12Å
616	T	81.6	Confident	77.6	Confident	52 Å²	52	69.9 Å²	69.9	32%	0.319	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-32	176.5	-45.9	0	0	0	0	111.6	V613 P614 Q619 N620	V613-T616 WeakPolarHBondContact O-CB 3.35Å; V613-T616 PolarHBondContact O-N 3Å; V613-T616 PolarHBondContact O-OG1 3.24Å; V613-T616 VanDerWaalsContact O-OG1 3.12Å; P614-T616 VanDerWaalsContact C-N 3.28Å; P614-T616 PolarHBondContact O-N 3.45Å; T616-Q619 PolarHBondContact O-N 2.89Å; T616-N620 WeakPolarHBondContact O-CB 3.22Å; T616-N620 VanDerWaalsContact O-CG 3.25Å; T616-N620 PolarHBondContact O-N 3.45Å; T616-N620 PolarHBondContact O-ND2 3.49Å
617	N	83.4	Confident	78.4	Confident	37 Å²	37	66.8 Å²	66.8	20%	0.198	38%	0.381	C	S	.	.	H	α-helix	trans	-64.7	-42.7	175.2	-172.9	31.2	0	0	0	112.1	K528 I529 P614 S615 N620 A621	K528-N617 VanDerWaalsContact CB-ND2 3.31Å; K528-N617 WeakPolarHBondContact CB-ND2 3.48Å; I529-N617 PolarHBondContact N-ND2 3.36Å; P614-N617 PolarHBondContact O-N 3.47Å; S615-N617 PolarHBondContact O-N 2.88Å; N617-N620 PolarHBondContact O-N 2.86Å; N617-A621 VanDerWaalsContact O-CB 3.29Å; N617-A621 WeakPolarHBondContact O-CB 2.98Å; N617-A621 PolarHBondContact O-N 2.93Å
618	L	85.4	Confident	79.3	Confident	12 Å²	12	65 Å²	65	6%	0.063	37%	0.365	C	S	.	.	H	α-helix	trans	-65.6	-41.1	178.3	-85.3	62.5	0	0	0	111.2	T566 L568 A602 S615 A621 F622	T566-L618 HydrophobicContact CG2-CB 4.45Å; T566-L618 HydrophobicContact CG2-CD2 4.38Å; L568-L618 HydrophobicContact CB-CB 4.3Å; L568-L618 HydrophobicContact CB-CD2 3.85Å; L568-L618 HydrophobicContact CB-CG 4Å; L568-L618 HydrophobicContact CD2-CB 4.36Å; L568-L618 HydrophobicContact CD2-CG 4.23Å; A602-L618 HydrophobicContact CB-CD1 3.75Å; A602-L618 HydrophobicContact CB-CD2 3.8Å; A602-L618 HydrophobicContact CB-CG 4.39Å; S615-L618 PolarHBondContact O-N 2.86Å; S615-L618 VanDerWaalsContact O-N 3.12Å; L618-A621 PolarHBondContact O-N 3.45Å; L618-F622 WeakPolarHBondContact O-CB 3.35Å; L618-F622 PolarHBondContact O-N 3.09Å
619	Q	84.9	Confident	80.8	Confident	82 Å²	82	59 Å²	59	38%	0.383	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-44.2	176.9	-69.3	177.4	-5.9	0	0	112.1	M559 S615 T616 F622 R623	M559-Q619 HydrophobicContact CE-CG 4.42Å; M559-Q619 HydrophobicContact SD-CB 4.48Å; M559-Q619 HydrophobicContact SD-CG 3.73Å; S615-Q619 PolarHBondContact O-N 3.04Å; S615-Q619 VanDerWaalsContact O-N 3.12Å; T616-Q619 PolarHBondContact O-N 2.89Å; Q619-F622 WeakPolarHBondContact O-CB 3.11Å; Q619-F622 PolarHBondContact O-N 3.4Å; Q619-R623 PolarHBondContact O-N 2.62Å; Q619-R623 VanDerWaalsContact O-N 3.15Å
620	N	85.8	Confident	81.9	Confident	89 Å²	89	62.9 Å²	62.9	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-44.1	176.2	-74.1	-18.6	0	0	0	111.4	T616 N617 F622 R623 I624	T616-N620 WeakPolarHBondContact O-CB 3.22Å; T616-N620 VanDerWaalsContact O-CG 3.25Å; T616-N620 PolarHBondContact O-N 3.45Å; T616-N620 PolarHBondContact O-ND2 3.49Å; N617-N620 PolarHBondContact O-N 2.86Å; N620-F622 VanDerWaalsContact C-N 3.34Å; N620-F622 PolarHBondContact O-N 3.38Å; N620-R623 PolarHBondContact O-N 2.61Å; N620-I624 VanDerWaalsContact O-CG1 3.29Å; N620-I624 WeakPolarHBondContact O-CG1 3.15Å; N620-I624 PolarHBondContact O-N 3.2Å
621	A	85.8	Confident	82.9	Confident	4 Å²	4	66.4 Å²	66.4	3%	0.033	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-44	176.4	0	0	0	0	0	111.6	I529 I531 L568 N617 L618 R623 I624 I625	I529-A621 HydrophobicContact CB-CB 4.32Å; I529-A621 HydrophobicContact CG2-CB 3.9Å; I531-A621 HydrophobicContact CD1-CB 4.17Å; L568-A621 HydrophobicContact CD2-CB 4.42Å; N617-A621 VanDerWaalsContact O-CB 3.29Å; N617-A621 WeakPolarHBondContact O-CB 2.98Å; N617-A621 PolarHBondContact O-N 2.93Å; L618-A621 PolarHBondContact O-N 3.45Å; A621-R623 PolarHBondContact O-N 3.37Å; A621-I624 PolarHBondContact O-N 2.96Å; A621-I625 WeakPolarHBondContact O-CB 3.45Å; A621-I625 WeakPolarHBondContact O-CD1 3.3Å; A621-I625 WeakPolarHBondContact O-CG1 3.15Å; A621-I625 PolarHBondContact O-N 3.15Å
622	F	88.6	Confident	83.9	Confident	40 Å²	40	60.2 Å²	60.2	18%	0.175	29%	0.287	C	S	.	.	H	α-helix	trans	-56.1	-49.4	175.9	176.7	-104.6	0	0	0	112.9	I557 M559 L568 L618 Q619 N620 K626	I557-F622 HydrophobicContact CB-CD2 4.44Å; I557-F622 HydrophobicContact CD1-CD2 4.15Å; I557-F622 HydrophobicContact CG1-CD2 3.92Å; I557-F622 HydrophobicContact CG1-CE2 4.43Å; I557-F622 HydrophobicContact CG2-CD2 3.87Å; I557-F622 HydrophobicContact CG2-CE2 3.96Å; I557-F622 WeakPolarHBondContact O-CE2 3.48Å; M559-F622 HydrophobicContact CB-CD2 4.1Å; M559-F622 HydrophobicContact CB-CE2 4.14Å; M559-F622 HydrophobicContact CB-CG 4.38Å; M559-F622 HydrophobicContact CB-CZ 4.45Å; L568-F622 HydrophobicContact CD1-CB 3.86Å; L568-F622 HydrophobicContact CD1-CD2 3.9Å; L568-F622 HydrophobicContact CD1-CG 4.33Å; L618-F622 WeakPolarHBondContact O-CB 3.35Å; L618-F622 PolarHBondContact O-N 3.09Å; Q619-F622 WeakPolarHBondContact O-CB 3.11Å; Q619-F622 PolarHBondContact O-N 3.4Å; N620-F622 VanDerWaalsContact C-N 3.34Å; N620-F622 PolarHBondContact O-N 3.38Å; F622-K626 HydrophobicContact CE1-CD 3.97Å; F622-K626 HydrophobicContact CE2-CD 4.26Å; F622-K626 HydrophobicContact CZ-CD 3.86Å; F622-K626 PolarHBondContact O-N 3.05Å; F622-K626 VanDerWaalsContact O-N 3.12Å
623	R	88.9	Confident	84.6	Confident	193 Å²	193	62.3 Å²	62.3	73%	0.728	29%	0.288	S	S	*	.	H	α-helix	trans	-61.7	-47.5	179.9	-177.7	178.5	175.6	172.7	0.6	111.6	Q619 N620 A621 K626 E627	Q619-R623 PolarHBondContact O-N 2.62Å; Q619-R623 VanDerWaalsContact O-N 3.15Å; N620-R623 PolarHBondContact O-N 2.61Å; A621-R623 PolarHBondContact O-N 3.37Å; R623-K626 PolarHBondContact O-N 3.12Å; R623-E627 PolarHBondContact O-N 3.01Å; R623-E627 VanDerWaalsContact O-N 3.1Å
624	I	87.9	Confident	85	Confident	48 Å²	48	63.6 Å²	63.6	25%	0.246	30%	0.296	C	S	.	.	H	α-helix	trans	-69.1	-40.7	-176.8	-62.2	166.6	0	0	0	110.8	I531 N620 A621 K626 E627 V628	I531-I624 HydrophobicContact CB-CG2 4.13Å; I531-I624 HydrophobicContact CD1-CB 3.58Å; I531-I624 HydrophobicContact CD1-CD1 4.47Å; I531-I624 HydrophobicContact CD1-CG2 3.62Å; I531-I624 HydrophobicContact CG1-CG2 4.49Å; I531-I624 HydrophobicContact CG2-CG2 3.93Å; N620-I624 VanDerWaalsContact O-CG1 3.29Å; N620-I624 WeakPolarHBondContact O-CG1 3.15Å; N620-I624 PolarHBondContact O-N 3.2Å; A621-I624 PolarHBondContact O-N 2.96Å; I624-K626 VanDerWaalsContact C-N 3.34Å; I624-K626 PolarHBondContact O-N 2.94Å; I624-E627 PolarHBondContact O-N 2.73Å; I624-V628 HydrophobicContact CG2-CG2 4.25Å; I624-V628 WeakPolarHBondContact O-CG2 3.49Å; I624-V628 PolarHBondContact O-N 3.18Å
625	I	87.6	Confident	85.4	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-44.1	176.7	-70	167.1	0	0	0	110.6	I531 V538 I551 I557 A621 E627 V628 Q629	I531-I625 HydrophobicContact CD1-CD1 4.22Å; I531-I625 HydrophobicContact CD1-CG1 3.62Å; I531-I625 HydrophobicContact CG1-CG1 4.06Å; V538-I625 HydrophobicContact CG1-CD1 3.86Å; V538-I625 HydrophobicContact CG1-CG1 4.44Å; V538-I625 HydrophobicContact CG2-CD1 3.99Å; V538-I625 HydrophobicContact CG2-CG1 3.84Å; I551-I625 HydrophobicContact CD1-CG2 4.23Å; I557-I625 HydrophobicContact CD1-CB 4.24Å; I557-I625 HydrophobicContact CD1-CD1 3.62Å; I557-I625 HydrophobicContact CD1-CG2 4.13Å; I557-I625 HydrophobicContact CG2-CG2 4.13Å; A621-I625 WeakPolarHBondContact O-CB 3.45Å; A621-I625 WeakPolarHBondContact O-CD1 3.3Å; A621-I625 WeakPolarHBondContact O-CG1 3.15Å; A621-I625 PolarHBondContact O-N 3.15Å; I625-E627 VanDerWaalsContact C-N 3.34Å; I625-E627 PolarHBondContact O-N 3.15Å; I625-V628 PolarHBondContact O-N 2.6Å; I625-Q629 HydrophobicContact CG2-CG 4.28Å; I625-Q629 VanDerWaalsContact O-CB 3.31Å; I625-Q629 WeakPolarHBondContact O-CB 3.29Å; I625-Q629 VanDerWaalsContact O-CG 3.32Å; I625-Q629 WeakPolarHBondContact O-CG 3.47Å; I625-Q629 PolarHBondContact O-N 3.41Å
626	K	88.4	Confident	85.5	Confident	105 Å²	105	67.6 Å²	67.6	46%	0.457	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-41.8	175.9	-81.8	-170.7	168.5	-174.6	0	112.6	I557 F622 R623 I624 Q629 K630	I557-K626 HydrophobicContact CG2-CG 4.03Å; F622-K626 HydrophobicContact CE1-CD 3.97Å; F622-K626 HydrophobicContact CE2-CD 4.26Å; F622-K626 HydrophobicContact CZ-CD 3.86Å; F622-K626 PolarHBondContact O-N 3.05Å; F622-K626 VanDerWaalsContact O-N 3.12Å; R623-K626 PolarHBondContact O-N 3.12Å; I624-K626 VanDerWaalsContact C-N 3.34Å; I624-K626 PolarHBondContact O-N 2.94Å; K626-Q629 PolarHBondContact O-N 2.78Å; K626-K630 WeakPolarHBondContact O-CB 3.35Å; K626-K630 PolarHBondContact O-N 2.89Å
627	E	88.8	Confident	85.1	Confident	74 Å²	74	67.4 Å²	67.4	35%	0.346	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-47.2	177.7	-169.7	-171.1	172.6	0	0	111.7	R623 I624 I625 K630 R631	R623-E627 PolarHBondContact O-N 3.01Å; R623-E627 VanDerWaalsContact O-N 3.1Å; I624-E627 PolarHBondContact O-N 2.73Å; I625-E627 VanDerWaalsContact C-N 3.34Å; I625-E627 PolarHBondContact O-N 3.15Å; E627-K630 PolarHBondContact O-N 3.17Å; E627-R631 WeakPolarHBondContact O-CG 3.26Å; E627-R631 PolarHBondContact O-N 2.86Å; E627-R631 IonicContact OE1-CZ 3.08Å; E627-R631 IonicContact OE1-NE 2.86Å; E627-R631 PolarHBondContact OE1-NE 3.39Å; E627-R631 IonicContact OE1-NH2 3.36Å; E627-R631 PolarHBondContact OE1-NH2 2.9Å
628	V	87.1	Confident	84.7	Confident	11 Å²	11	70.1 Å²	70.1	7%	0.067	32%	0.32	C	S	.	.	H	α-helix	trans	-65.8	-40.4	178.6	177.9	0	0	0	0	110.8	I531 K533 E536 I551 I624 I625 K630 R631 Y632	I531-V628 HydrophobicContact CG2-CG2 4.48Å; K533-V628 HydrophobicContact CG-CG2 4.46Å; E536-V628 HydrophobicContact CB-CG1 4.41Å; E536-V628 HydrophobicContact CG-CG1 4.41Å; I551-V628 HydrophobicContact CD1-CB 4.38Å; I551-V628 HydrophobicContact CD1-CG1 4.07Å; I551-V628 HydrophobicContact CG1-CG1 3.78Å; I551-V628 HydrophobicContact CG2-CG1 4.45Å; I624-V628 HydrophobicContact CG2-CG2 4.25Å; I624-V628 WeakPolarHBondContact O-CG2 3.49Å; I624-V628 PolarHBondContact O-N 3.18Å; I625-V628 PolarHBondContact O-N 2.6Å; V628-K630 PolarHBondContact O-N 3.14Å; V628-R631 PolarHBondContact O-N 2.85Å; V628-Y632 VanDerWaalsContact O-CB 3.3Å; V628-Y632 WeakPolarHBondContact O-CB 3.36Å; V628-Y632 PolarHBondContact O-N 2.79Å
629	Q	85.6	Confident	84.1	Confident	19 Å²	19	74 Å²	74	9%	0.089	34%	0.338	C	S	.	.	H	α-helix	trans	-59.6	-43.2	173.6	-82.2	-178.8	-19.4	0	0	112.3	I551 I625 K626 Y632 K633	I551-Q629 HydrophobicContact CG2-CB 4.44Å; I551-Q629 HydrophobicContact CG2-CG 3.63Å; I625-Q629 HydrophobicContact CG2-CG 4.28Å; I625-Q629 VanDerWaalsContact O-CB 3.31Å; I625-Q629 WeakPolarHBondContact O-CB 3.29Å; I625-Q629 VanDerWaalsContact O-CG 3.32Å; I625-Q629 WeakPolarHBondContact O-CG 3.47Å; I625-Q629 PolarHBondContact O-N 3.41Å; K626-Q629 PolarHBondContact O-N 2.78Å; Q629-Y632 PolarHBondContact O-N 2.88Å; Q629-K633 WeakPolarHBondContact O-CB 3.25Å; Q629-K633 WeakPolarHBondContact O-CG 3.37Å; Q629-K633 PolarHBondContact O-N 2.85Å
630	K	86.2	Confident	83.4	Confident	157 Å²	157	75 Å²	75	68%	0.683	34%	0.342	S	S	*	.	H	α-helix	trans	-61	-49.7	176.9	-172.7	176.5	-178.8	176.9	0	110.7	K626 E627 V628 Y632 K633 T634	K626-K630 WeakPolarHBondContact O-CB 3.35Å; K626-K630 PolarHBondContact O-N 2.89Å; E627-K630 PolarHBondContact O-N 3.17Å; V628-K630 PolarHBondContact O-N 3.14Å; K630-Y632 PolarHBondContact O-N 3.37Å; K630-K633 PolarHBondContact O-N 2.79Å; K630-T634 PolarHBondContact O-N 3.16Å; K630-T634 PolarHBondContact O-OG1 3.31Å
631	R	86.3	Confident	82.4	Confident	160 Å²	160	73.9 Å²	73.9	60%	0.604	33%	0.333	S	S	*	.	H	α-helix	trans	-60.1	-44.3	178	-68	177.8	-174.3	-155.6	0.3	112.3	E627 V628 T634 R635	E627-R631 WeakPolarHBondContact O-CG 3.26Å; E627-R631 PolarHBondContact O-N 2.86Å; E627-R631 IonicContact OE1-CZ 3.08Å; E627-R631 IonicContact OE1-NE 2.86Å; E627-R631 PolarHBondContact OE1-NE 3.39Å; E627-R631 IonicContact OE1-NH2 3.36Å; E627-R631 PolarHBondContact OE1-NH2 2.9Å; V628-R631 PolarHBondContact O-N 2.85Å; R631-T634 PolarHBondContact O-N 2.92Å; R631-R635 PolarHBondContact O-N 3.13Å
632	Y	84	Confident	81.5	Confident	14 Å²	14	79.1 Å²	79.1	6%	0.055	36%	0.355	C	S	.	.	H	α-helix	trans	-64.3	-47.7	179.2	-179.6	-90.6	0	0	0	111.6	N509 E536 H550 I551 A552 V628 Q629 K630 T634 R635 E636	N509-Y632 PolarHBondContact ND2-OH 2.94Å; E536-Y632 WeakPolarHBondContact OE2-CD2 3.44Å; H550-Y632 AromaticContact CE1-CE2 3.76Å; I551-Y632 HydrophobicContact CG2-CG 4.42Å; A552-Y632 HydrophobicContact CB-CE1 3.82Å; A552-Y632 HydrophobicContact CB-CE2 4.43Å; A552-Y632 WeakPolarHBondContact CB-OH 3.44Å; V628-Y632 VanDerWaalsContact O-CB 3.3Å; V628-Y632 WeakPolarHBondContact O-CB 3.36Å; V628-Y632 PolarHBondContact O-N 2.79Å; Q629-Y632 PolarHBondContact O-N 2.88Å; K630-Y632 PolarHBondContact O-N 3.37Å; Y632-T634 VanDerWaalsContact C-N 3.35Å; Y632-T634 PolarHBondContact O-N 3.45Å; Y632-R635 VanDerWaalsContact CD2-NH2 3.34Å; Y632-R635 PolarHBondContact O-N 3.31Å; Y632-E636 HydrophobicContact CE1-CB 4.45Å; Y632-E636 WeakPolarHBondContact CE1-OE2 3.35Å; Y632-E636 WeakPolarHBondContact O-CB 3.44Å; Y632-E636 PolarHBondContact O-N 2.87Å
633	K	83.3	Confident	80.1	Confident	108 Å²	108	84.6 Å²	84.6	47%	0.47	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-39.7	177.2	-75	-177.2	179	-177	0	112.3	Q629 K630 E636 A637	Q629-K633 WeakPolarHBondContact O-CB 3.25Å; Q629-K633 WeakPolarHBondContact O-CG 3.37Å; Q629-K633 PolarHBondContact O-N 2.85Å; K630-K633 PolarHBondContact O-N 2.79Å; K633-E636 PolarHBondContact O-N 3.3Å; K633-A637 VanDerWaalsContact O-CB 3.26Å; K633-A637 WeakPolarHBondContact O-CB 3.28Å; K633-A637 PolarHBondContact O-N 3.06Å
634	T	83.8	Confident	78.5	Confident	70 Å²	70	78.4 Å²	78.4	43%	0.429	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-46	174.6	-58.2	0	0	0	0	111.2	K630 R631 Y632 A637 E638	K630-T634 PolarHBondContact O-N 3.16Å; K630-T634 PolarHBondContact O-OG1 3.31Å; R631-T634 PolarHBondContact O-N 2.92Å; Y632-T634 VanDerWaalsContact C-N 3.35Å; Y632-T634 PolarHBondContact O-N 3.45Å; T634-A637 PolarHBondContact O-N 3.31Å; T634-E638 WeakPolarHBondContact O-CG 3.23Å; T634-E638 PolarHBondContact O-N 3.08Å
635	R	82.4	Confident	77.2	Confident	93 Å²	93	78.6 Å²	78.6	35%	0.351	38%	0.379	S	S	.	.	H	α-helix	trans	-65.2	-41.9	177.6	-172	179.8	65.8	-143.9	-6.3	112.5	E536 R631 Y632 A637 E638 E639	E536-R635 IonicContact OE1-CZ 3.03Å; E536-R635 VanDerWaalsContact OE1-CZ 3.25Å; E536-R635 IonicContact OE1-NH1 2.78Å; E536-R635 PolarHBondContact OE1-NH1 2.85Å; E536-R635 IonicContact OE1-NH2 3.24Å; E536-R635 PolarHBondContact OE1-NH2 2.89Å; E536-R635 IonicContact OE2-CZ 3.69Å; E536-R635 IonicContact OE2-NH1 3.65Å; E536-R635 IonicContact OE2-NH2 3.96Å; E536-R635 PolarHBondContact OE2-NH2 2.84Å; R631-R635 PolarHBondContact O-N 3.13Å; Y632-R635 VanDerWaalsContact CD2-NH2 3.34Å; Y632-R635 PolarHBondContact O-N 3.31Å; R635-A637 VanDerWaalsContact C-N 3.33Å; R635-E638 PolarHBondContact O-N 3.42Å; R635-E639 WeakPolarHBondContact O-CB 3.22Å; R635-E639 WeakPolarHBondContact O-CG 3.38Å; R635-E639 PolarHBondContact O-N 3.24Å
636	E	78.9	Confident	75.8	Confident	51 Å²	51	82.5 Å²	82.5	24%	0.238	40%	0.402	C	S	.	.	H	α-helix	trans	-64	-39.9	177	-173.2	179.1	-174.1	0	0	111.3	R506 Y632 K633 E639 K640	R506-E636 IonicContact CZ-OE1 3.7Å; R506-E636 VanDerWaalsContact CZ-OE1 3.22Å; R506-E636 IonicContact NH1-OE1 2.81Å; R506-E636 PolarHBondContact NH1-OE1 3.35Å; R506-E636 IonicContact NH2-OE1 2.72Å; R506-E636 PolarHBondContact NH2-OE1 3.34Å; Y632-E636 HydrophobicContact CE1-CB 4.45Å; Y632-E636 WeakPolarHBondContact CE1-OE2 3.35Å; Y632-E636 WeakPolarHBondContact O-CB 3.44Å; Y632-E636 PolarHBondContact O-N 2.87Å; K633-E636 PolarHBondContact O-N 3.3Å; E636-E639 PolarHBondContact O-N 3.01Å; E636-K640 VanDerWaalsContact O-CB 3.28Å; E636-K640 WeakPolarHBondContact O-CB 3.26Å; E636-K640 PolarHBondContact O-N 2.93Å
637	A	74.5	Confident	74.7	Confident	48 Å²	48	86.9 Å²	86.9	40%	0.397	42%	0.422	S	S	.	.	H	α-helix	trans	-62.9	-44.9	172.8	0	0	0	0	0	111.5	K633 T634 R635 E639 K640 E641	K633-A637 VanDerWaalsContact O-CB 3.26Å; K633-A637 WeakPolarHBondContact O-CB 3.28Å; K633-A637 PolarHBondContact O-N 3.06Å; T634-A637 PolarHBondContact O-N 3.31Å; R635-A637 VanDerWaalsContact C-N 3.33Å; A637-E639 PolarHBondContact O-N 3.01Å; A637-K640 PolarHBondContact O-N 3.39Å; A637-E641 WeakPolarHBondContact O-CB 3.28Å; A637-E641 WeakPolarHBondContact O-CG 3.18Å; A637-E641 PolarHBondContact O-N 2.54Å
638	E	74.3	Confident	73.6	Confident	94 Å²	94	86.2 Å²	86.2	44%	0.439	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-38.5	175.8	-74	178.4	-165.5	0	0	113	T634 R635 E641 K642	T634-E638 WeakPolarHBondContact O-CG 3.23Å; T634-E638 PolarHBondContact O-N 3.08Å; R635-E638 PolarHBondContact O-N 3.42Å; E638-E641 PolarHBondContact O-N 2.96Å; E638-K642 WeakPolarHBondContact O-CD 3.24Å; E638-K642 VanDerWaalsContact O-CG 3.24Å; E638-K642 WeakPolarHBondContact O-CG 3.47Å; E638-K642 PolarHBondContact O-N 3.49Å
639	E	72.3	Confident	73	Confident	94 Å²	94	91.3 Å²	91.3	44%	0.439	45%	0.445	S	S	.	.	H	α-helix	trans	-67.2	-44.5	174.9	-78.4	179.7	176.4	0	0	111.1	R635 E636 A637 E641 K642 E643	R635-E639 WeakPolarHBondContact O-CB 3.22Å; R635-E639 WeakPolarHBondContact O-CG 3.38Å; R635-E639 PolarHBondContact O-N 3.24Å; E636-E639 PolarHBondContact O-N 3.01Å; A637-E639 PolarHBondContact O-N 3.01Å; E639-E641 VanDerWaalsContact C-N 3.26Å; E639-E641 PolarHBondContact O-N 2.87Å; E639-K642 CarbonylContact O-C 3.57Å; E639-K642 WeakPolarHBondContact O-CA 3.48Å; E639-K642 WeakPolarHBondContact O-CB 3.05Å; E639-K642 PolarHBondContact O-N 3.31Å; E639-E643 WeakPolarHBondContact O-CG 3.44Å; E639-E643 PolarHBondContact O-N 3.5Å
640	K	69.8	Low	72.6	Confident	104 Å²	104	94.6 Å²	94.6	45%	0.452	47%	0.47	S	S	.	.	H	α-helix	trans	-62	-35.6	174.9	-171.7	173.3	-177.7	173.1	0	111.9	E583 E636 A637 K642	E583-K640 IonicContact OE1-NZ 3.94Å; E583-K640 PolarHBondContact OE1-NZ 3.16Å; E583-K640 IonicContact OE2-NZ 2.66Å; E583-K640 PolarHBondContact OE2-NZ 2.97Å; E636-K640 VanDerWaalsContact O-CB 3.28Å; E636-K640 WeakPolarHBondContact O-CB 3.26Å; E636-K640 PolarHBondContact O-N 2.93Å; A637-K640 PolarHBondContact O-N 3.39Å; K640-K642 VanDerWaalsContact C-N 3.32Å
641	E	66.4	Low	72.6	Confident	64 Å²	64	87.7 Å²	87.7	30%	0.299	44%	0.441	S	S	.	.	H	α-helix	trans	-68.8	-29.7	172.9	-76.3	-176.2	-179.4	0	0	112.8	A637 E638 E639 I645	A637-E641 WeakPolarHBondContact O-CB 3.28Å; A637-E641 WeakPolarHBondContact O-CG 3.18Å; A637-E641 PolarHBondContact O-N 2.54Å; E638-E641 PolarHBondContact O-N 2.96Å; E639-E641 VanDerWaalsContact C-N 3.26Å; E639-E641 PolarHBondContact O-N 2.87Å; E641-I645 WeakPolarHBondContact O-CG1 3.19Å
642	K	66.1	Low	72.5	Confident	114 Å²	114	83.9 Å²	83.9	50%	0.496	44%	0.435	S	S	.	.	H	α-helix	trans	-81.3	-31.4	176.8	-73.8	166.5	-172.6	166.7	0	114	E638 E639 K640 G644 I645 M729	E638-K642 WeakPolarHBondContact O-CD 3.24Å; E638-K642 VanDerWaalsContact O-CG 3.24Å; E638-K642 WeakPolarHBondContact O-CG 3.47Å; E638-K642 PolarHBondContact O-N 3.49Å; E639-K642 CarbonylContact O-C 3.57Å; E639-K642 WeakPolarHBondContact O-CA 3.48Å; E639-K642 WeakPolarHBondContact O-CB 3.05Å; E639-K642 PolarHBondContact O-N 3.31Å; K640-K642 VanDerWaalsContact C-N 3.32Å; K642-G644 VanDerWaalsContact C-N 3.28Å; K642-G644 PolarHBondContact O-N 2.92Å; K642-I645 PolarHBondContact O-N 2.93Å; K642-M729 HydrophobicContact CG-CE 3.91Å
643	E	59.2	Low	72.3	Confident	156 Å²	156	87 Å²	87	73%	0.729	45%	0.452	S	S	*	.	H	α-helix	trans	-67.7	-22.2	-174.4	-80.3	-178.6	164.7	0	0	114.2	E639	E639-E643 WeakPolarHBondContact O-CG 3.44Å; E639-E643 PolarHBondContact O-N 3.5Å
644	G	55.1	Low	71.8	Confident	63 Å²	63	84.1 Å²	84.1	65%	0.649	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	4.5	177.5	0	0	0	0	0	115.3	K642 V646	K642-G644 VanDerWaalsContact C-N 3.28Å; K642-G644 PolarHBondContact O-N 2.92Å; G644-V646 PolarHBondContact O-N 2.97Å
645	I	60.7	Low	71	Confident	51 Å²	51	88.4 Å²	88.4	26%	0.262	46%	0.461	S	S	.	.			trans	-85.5	111.2	-174.3	-59.4	175.9	0	0	0	109.6	E641 K642 K647 M729	E641-I645 WeakPolarHBondContact O-CG1 3.19Å; K642-I645 PolarHBondContact O-N 2.93Å; I645-K647 PolarHBondContact O-N 3.42Å; I645-K647 VanDerWaalsContact O-N 3.13Å; I645-M729 HydrophobicContact CD1-CB 4.22Å; I645-M729 HydrophobicContact CD1-CE 3.31Å; I645-M729 HydrophobicContact CD1-SD 4.35Å
646	V	59.6	Low	70.2	Confident	83 Å²	83	89.5 Å²	89.5	50%	0.503	47%	0.474	S	S	.	.			trans	-65.7	109.8	159.3	-177.8	0	0	0	0	106.7	G644 Q648 N726	G644-V646 PolarHBondContact O-N 2.97Å; V646-Q648 PolarHBondContact O-N 3.42Å; V646-N726 HydrophobicContact CB-CB 4.5Å
647	K	63.6	Low	69.2	Low	197 Å²	197	99.7 Å²	99.7	86%	0.857	51%	0.51	S	S	*	.			trans	-60	111.2	173.4	-75.4	-175.4	179.2	-179.3	0	108	I645	I645-K647 PolarHBondContact O-N 3.42Å; I645-K647 VanDerWaalsContact O-N 3.13Å
648	Q	65.5	Low	68.8	Low	60 Å²	60	102.7 Å²	102.7	28%	0.28	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-62.2	153.2	172.7	-73	-171.1	-21.2	0	0	110.7	V646 L700 N703 I728	V646-Q648 PolarHBondContact O-N 3.42Å; Q648-L700 HydrophobicContact CB-CD1 3.95Å; Q648-L700 HydrophobicContact CG-CD1 4.43Å; Q648-N703 PolarHBondContact NE2-ND2 3.12Å; Q648-I728 VanDerWaalsContact CD-CG2 3.45Å; Q648-I728 HydrophobicContact CG-CG2 4.4Å
649	D	74.5	Confident	68.9	Low	118 Å²	118	99.8 Å²	99.8	63%	0.631	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-65.7	159.2	169.4	-156.6	-6.5	0	0	0	110.4	L700	D649-L700 HydrophobicContact CB-CD1 3.96Å; D649-L700 WeakPolarHBondContact O-CD1 3.47Å
650	S	79.1	Confident	69.5	Low	88 Å²	88	95.9 Å²	95.9	62%	0.615	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-74.2	134.5	177.4	63.1	0	0	0	0	111.1	V652 N685	S650-V652 PolarHBondContact O-N 2.69Å; S650-N685 PolarHBondContact O-ND2 2.75Å
651	L	84.5	Confident	70.3	Confident	12 Å²	12	95.5 Å²	95.5	6%	0.063	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-64.9	126.7	175.3	-172.8	76	0	0	0	110.7	I653 N685 G686 R688 D698 L700	L651-I653 PolarHBondContact O-N 3.33Å; L651-N685 VanDerWaalsContact CD1-OD1 3.31Å; L651-N685 WeakPolarHBondContact CD1-OD1 3.38Å; L651-G686 VanDerWaalsContact CD1-CA 3.4Å; L651-R688 HydrophobicContact CD2-CB 3.66Å; L651-D698 HydrophobicContact CB-CB 4.15Å; L651-D698 HydrophobicContact CD2-CB 4.28Å; L651-L700 HydrophobicContact CB-CD2 4.27Å; L651-L700 HydrophobicContact CD1-CD2 3.76Å
652	V	84.4	Confident	71.5	Confident	79 Å²	79	93 Å²	93	48%	0.479	49%	0.486	S	S	.	.			trans	-85.1	108.5	178.5	178.7	0	0	0	0	108.5	S650 N654 H683 T684 N685	S650-V652 PolarHBondContact O-N 2.69Å; V652-N654 PolarHBondContact O-N 3.15Å; V652-H683 WeakPolarHBondContact O-CB 3.34Å; V652-T684 PolarHBondContact O-OG1 3.3Å; V652-N685 PolarHBondContact N-ND2 3.45Å; V652-N685 PolarHBondContact N-OD1 3.22Å
653	I	80.3	Confident	72.6	Confident	81 Å²	81	94 Å²	94	42%	0.415	49%	0.49	S	S	.	.			trans	-82.3	116.7	-175.8	-49.7	162.6	0	0	0	109.2	L651 L655	L651-I653 PolarHBondContact O-N 3.33Å; I653-L655 HydrophobicContact CG2-CD1 4.37Å
654	N	73.8	Confident	73.9	Confident	46 Å²	46	91.2 Å²	91.2	25%	0.246	48%	0.48	C	S	.	.			trans	-82.1	120.2	164.5	-79.8	-16.9	0	0	0	110.1	V652 N656 N659 T684	V652-N654 PolarHBondContact O-N 3.15Å; N654-N656 VanDerWaalsContact C-N 3.26Å; N654-N656 PolarHBondContact O-N 3.15Å; N654-N659 PolarHBondContact O-ND2 3.06Å; N654-T684 WeakPolarHBondContact ND2-CG2 3.26Å
655	L	65.7	Low	75.6	Confident	160 Å²	160	88.2 Å²	88.2	84%	0.838	45%	0.449	S	S	*	.			trans	-84	9.2	176	-86.9	99.4	0	0	0	114.2	I653	I653-L655 HydrophobicContact CG2-CD1 4.37Å
656	N	65.4	Low	77.1	Confident	117 Å²	117	87.9 Å²	87.9	63%	0.626	45%	0.445	S	S	*	.			trans	-69.7	134.7	179.8	-70.6	-12.4	0	0	0	110.7	N654 S658 N659	N654-N656 VanDerWaalsContact C-N 3.26Å; N654-N656 PolarHBondContact O-N 3.15Å; N656-S658 PolarHBondContact O-N 3.4Å; N656-N659 PolarHBondContact O-N 3.21Å; N656-N659 PolarHBondContact O-OD1 3.35Å
657	R	58.1	Low	78.6	Confident	264 Å²	264	83.9 Å²	83.9	100%	0.996	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-4.9	-178.4	-74.9	-176.4	177.5	177.8	-0.6	115
658	S	65.8	Low	79.8	Confident	111 Å²	111	77.2 Å²	77.2	78%	0.776	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	8.2	-175.1	-166.1	0	0	0	0	114	N656	N656-S658 PolarHBondContact O-N 3.4Å
659	N	76.4	Confident	80.9	Confident	34 Å²	34	75 Å²	75	18%	0.182	38%	0.381	C	S	.	.			trans	-64.3	142.7	-179.6	-71	-0.6	0	0	0	111.5	N654 N656 K661 H683	N654-N659 PolarHBondContact O-ND2 3.06Å; N656-N659 PolarHBondContact O-N 3.21Å; N656-N659 PolarHBondContact O-OD1 3.35Å; N659-K661 PolarHBondContact O-N 2.64Å; N659-H683 PolarHBondContact ND2-ND1 2.97Å
660	P	84.9	Confident	81.5	Confident	11 Å²	11	72.1 Å²	72.1	7%	0.071	37%	0.366	C	S	.	.			trans	-60.7	124.5	172.5	-15.4	28.7	0	0	0	109.3	A682 F783 K786 V787	P660-A682 HydrophobicContact CB-CB 4.17Å; P660-A682 HydrophobicContact CG-CB 4.14Å; P660-A682 PolarHBondContact O-N 2.94Å; P660-F783 HydrophobicContact CB-CD2 3.9Å; P660-F783 HydrophobicContact CB-CE2 3.84Å; P660-K786 HydrophobicContact CB-CB 3.97Å; P660-K786 HydrophobicContact CG-CB 3.83Å; P660-V787 HydrophobicContact CB-CG2 4.06Å; P660-V787 HydrophobicContact CG-CG2 4.34Å
661	K	88.4	Confident	81.7	Confident	96 Å²	96	69.3 Å²	69.3	42%	0.417	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.5	178.7	-178.5	171.6	-172.7	160.1	0	110.2	N659 K663 S679 L680 E681	N659-K661 PolarHBondContact O-N 2.64Å; K661-K663 HydrophobicContact CG-CG 4.46Å; K661-S679 WeakPolarHBondContact CE-OG 3.23Å; K661-L680 WeakPolarHBondContact CA-O 3.27Å; K661-E681 HydrophobicContact CB-CG 4.15Å; K661-E681 HydrophobicContact CD-CG 3.81Å; K661-E681 WeakPolarHBondContact CD-OE1 3.36Å; K661-E681 WeakPolarHBondContact CE-OE1 3.47Å; K661-E681 HydrophobicContact CG-CG 3.75Å; K661-E681 IonicContact NZ-OE1 3.46Å; K661-E681 PolarHBondContact NZ-OE1 3.44Å
662	L	89.7	Confident	81.4	Confident	13 Å²	13	70.4 Å²	70.4	7%	0.068	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.3	173.1	-166.2	58.8	0	0	0	108.8	L665 S679 L680 L720 F780 F783	L662-L665 HydrophobicContact CB-CD1 3.87Å; L662-L665 HydrophobicContact CD2-CD1 3.93Å; L662-L665 HydrophobicContact CD2-CD2 3.95Å; L662-L665 HydrophobicContact CD2-CG 4.35Å; L662-L665 HydrophobicContact CG-CD1 3.84Å; L662-L665 HydrophobicContact CG-CD2 4.13Å; L662-L665 HydrophobicContact CG-CG 4.14Å; L662-S679 CarbonylContact O-C 3.49Å; L662-S679 WeakPolarHBondContact O-CA 3.26Å; L662-S679 WeakPolarHBondContact O-CB 3.38Å; L662-L680 PolarHBondContact N-O 2.9Å; L662-L680 PolarHBondContact O-N 3.45Å; L662-L720 HydrophobicContact CD2-CD1 3.92Å; L662-F780 HydrophobicContact CD1-CD2 4.15Å; L662-F780 HydrophobicContact CD1-CE2 4.26Å; L662-F780 HydrophobicContact CD2-CD1 3.73Å; L662-F780 HydrophobicContact CD2-CD2 3.99Å; L662-F780 HydrophobicContact CD2-CE1 3.62Å; L662-F780 HydrophobicContact CD2-CE2 3.88Å; L662-F780 HydrophobicContact CD2-CG 3.94Å; L662-F780 HydrophobicContact CD2-CZ 3.71Å; L662-F780 HydrophobicContact CG-CE2 4.38Å; L662-F783 HydrophobicContact CB-CD1 4.4Å; L662-F783 HydrophobicContact CB-CD2 3.76Å; L662-F783 HydrophobicContact CB-CE2 3.92Å; L662-F783 HydrophobicContact CB-CG 4.01Å; L662-F783 HydrophobicContact CB-CZ 4.32Å; L662-F783 HydrophobicContact CD1-CB 4.4Å; L662-F783 HydrophobicContact CD2-CB 4.45Å; L662-F783 HydrophobicContact CD2-CD1 4.07Å; L662-F783 HydrophobicContact CD2-CG 4.18Å
663	K	89.3	Confident	80.9	Confident	135 Å²	135	75.7 Å²	75.7	59%	0.587	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	167.2	-177.2	-63.9	-178	-177.3	176.2	0	110.1	K661 L665	K661-K663 HydrophobicContact CG-CG 4.46Å; K663-L665 VanDerWaalsContact C-N 3.34Å; K663-L665 PolarHBondContact O-N 3.45Å
664	D	87	Confident	80.9	Confident	96 Å²	96	79.8 Å²	79.8	51%	0.513	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.5	42.1	173.1	-53.8	-32.4	0	0	0	114.2	Q677 G678 T742	D664-Q677 PolarHBondContact OD1-NE2 3.39Å; D664-Q677 VanDerWaalsContact OD1-NE2 3.08Å; D664-G678 PolarHBondContact N-O 2.86Å; D664-T742 PolarHBondContact O-OG1 2.85Å; D664-T742 VanDerWaalsContact O-OG1 3.05Å
665	L	90.8	Very high	81.2	Confident	0 Å²	0	83 Å²	83	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	140	177	-64.7	170.3	0	0	0	111	L662 K663 Q677 G678 L680 F689 F740 F780	L662-L665 HydrophobicContact CB-CD1 3.87Å; L662-L665 HydrophobicContact CD2-CD1 3.93Å; L662-L665 HydrophobicContact CD2-CD2 3.95Å; L662-L665 HydrophobicContact CD2-CG 4.35Å; L662-L665 HydrophobicContact CG-CD1 3.84Å; L662-L665 HydrophobicContact CG-CD2 4.13Å; L662-L665 HydrophobicContact CG-CG 4.14Å; K663-L665 VanDerWaalsContact C-N 3.34Å; K663-L665 PolarHBondContact O-N 3.45Å; L665-Q677 CarbonylContact O-C 3.54Å; L665-Q677 WeakPolarHBondContact O-CA 3.25Å; L665-G678 PolarHBondContact N-O 3.07Å; L665-G678 VanDerWaalsContact N-O 3.13Å; L665-G678 PolarHBondContact O-N 3.34Å; L665-L680 HydrophobicContact CD1-CB 3.4Å; L665-L680 VanDerWaalsContact CD1-CB 3.4Å; L665-L680 HydrophobicContact CD1-CD2 4.38Å; L665-F689 HydrophobicContact CB-CE2 4.3Å; L665-F740 HydrophobicContact CD1-CB 4.24Å; L665-F740 HydrophobicContact CD2-CB 4.47Å; L665-F780 HydrophobicContact CD2-CE1 4.07Å; L665-F780 HydrophobicContact CD2-CE2 4.29Å; L665-F780 HydrophobicContact CD2-CZ 3.45Å; L665-F780 VanDerWaalsContact CD2-CZ 3.45Å
666	Y	92	Very high	81.9	Confident	44 Å²	44	76.5 Å²	76.5	17%	0.173	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	145.4	162.5	-63.6	-64.4	0	0	0	109.9	R675 Q677 F740 Y741	Y666-R675 HydrophobicContact CD1-CG 3.5Å; Y666-R675 HydrophobicContact CE1-CG 3.88Å; Y666-R675 HydrophobicContact CG-CG 4.06Å; Y666-R675 PolarHBondContact OH-NH2 2.97Å; Y666-Q677 HydrophobicContact CD1-CB 4.2Å; Y666-Q677 HydrophobicContact CE1-CB 3.84Å; Y666-Q677 HydrophobicContact CE1-CG 4.16Å; Y666-F740 CarbonylContact O-C 3.57Å; Y666-F740 VanDerWaalsContact O-CA 3.25Å; Y666-F740 WeakPolarHBondContact O-CA 3.26Å; Y666-Y741 HydrophobicContact CD2-CE2 4.28Å; Y666-Y741 PolarHBondContact N-O 3.23Å; Y666-Y741 PolarHBondContact O-N 2.94Å
667	I	91.1	Very high	83	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.3	174.1	-174.7	175.9	0	0	0	109.7	N670 I671 F689 V697 F730 V738 Q739 F740	I667-N670 PolarHBondContact O-OD1 2.86Å; I667-I671 HydrophobicContact CD1-CG1 4.46Å; I667-I671 HydrophobicContact CG2-CD1 4.37Å; I667-I671 HydrophobicContact CG2-CG1 4.23Å; I667-F689 HydrophobicContact CB-CD1 4.29Å; I667-F689 HydrophobicContact CB-CE1 3.91Å; I667-F689 HydrophobicContact CB-CE2 4.39Å; I667-F689 HydrophobicContact CB-CZ 3.94Å; I667-F689 HydrophobicContact CD1-CD1 4.07Å; I667-F689 HydrophobicContact CD1-CE1 4.45Å; I667-F689 HydrophobicContact CD1-CG 4.47Å; I667-F689 HydrophobicContact CG2-CD1 4.25Å; I667-F689 HydrophobicContact CG2-CE1 3.57Å; I667-F689 HydrophobicContact CG2-CZ 3.87Å; I667-V697 HydrophobicContact CD1-CB 4.36Å; I667-V697 HydrophobicContact CD1-CG1 4.4Å; I667-V697 HydrophobicContact CD1-CG2 4.05Å; I667-F730 HydrophobicContact CD1-CE2 4.05Å; I667-F730 HydrophobicContact CD1-CZ 4.29Å; I667-V738 HydrophobicContact CD1-CG1 4Å; I667-V738 HydrophobicContact CG1-CG1 3.99Å; I667-Q739 CarbonylContact C-O 3.6Å; I667-Q739 WeakPolarHBondContact CA-O 3.35Å; I667-F740 HydrophobicContact CB-CD1 4.08Å; I667-F740 HydrophobicContact CB-CE1 3.9Å; I667-F740 HydrophobicContact CD1-CE1 3.74Å; I667-F740 HydrophobicContact CD1-CZ 4.15Å; I667-F740 HydrophobicContact CG1-CD1 4.17Å; I667-F740 HydrophobicContact CG1-CE1 3.65Å; I667-F740 HydrophobicContact CG1-CZ 4.32Å
668	R	89.6	Confident	84.6	Confident	56 Å²	56	62 Å²	62	21%	0.211	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.4	170.6	-151.6	178.8	-78.8	174.2	-9.4	108.6	V738 Q739 Y741 W830	R668-V738 CarbonylContact O-C 3.59Å; R668-V738 WeakPolarHBondContact O-CA 3.29Å; R668-Q739 HydrophobicContact CB-CB 4.22Å; R668-Q739 PolarHBondContact N-O 2.74Å; R668-Q739 PolarHBondContact O-N 3.01Å; R668-Y741 HydrophobicContact CB-CD1 4.33Å; R668-Y741 HydrophobicContact CB-CE1 4.02Å; R668-Y741 VanDerWaalsContact NH2-CZ 3.29Å; R668-Y741 PolarHBondContact NH2-OH 3.1Å; R668-W830 HydrophobicContact CB-CE3 3.99Å; R668-W830 HydrophobicContact CB-CZ3 4.21Å; R668-W830 HydrophobicContact CG-CD2 3.62Å; R668-W830 HydrophobicContact CG-CE3 3.52Å; R668-W830 HydrophobicContact CG-CG 4.11Å; R668-W830 HydrophobicContact CG-CZ3 4.06Å
669	P	88.4	Confident	85.8	Confident	13 Å²	13	57.7 Å²	57.7	8%	0.084	27%	0.274	C	S	.	.	S	Bend	cis	-70	153.1	0.7	26.7	-25.9	0	0	0	112.1	F730 H735 D737 W830	P669-F730 HydrophobicContact CG-CE2 4.36Å; P669-F730 HydrophobicContact CG-CZ 4.04Å; P669-F730 WeakPolarHBondContact O-CE2 3.43Å; P669-H735 HydrophobicContact CG-CB 3.89Å; P669-H735 VanDerWaalsContact CG-CE1 3.45Å; P669-H735 WeakPolarHBondContact CG-CE1 3.48Å; P669-H735 WeakPolarHBondContact CG-ND1 3.37Å; P669-D737 VanDerWaalsContact CD-O 3.24Å; P669-D737 WeakPolarHBondContact CD-O 3.39Å; P669-W830 HydrophobicContact CB-CH2 4.09Å; P669-W830 HydrophobicContact CB-CZ2 3.86Å; P669-W830 VanDerWaalsContact CD-CH2 3.5Å; P669-W830 HydrophobicContact CG-CH2 3.99Å; P669-W830 HydrophobicContact CG-CZ2 4.18Å
670	N	87	Confident	86.6	Confident	59 Å²	59	56.1 Å²	56.1	32%	0.316	27%	0.265	S	S	.	.			trans	-71.1	140.8	-176.2	-62.9	-25.1	0	0	0	111.3	I667 A672	I667-N670 PolarHBondContact O-OD1 2.86Å; N670-A672 WeakPolarHBondContact CB-O 3.43Å; N670-A672 PolarHBondContact O-N 3.49Å
671	I	83.2	Confident	86.9	Confident	28 Å²	28	57.8 Å²	57.8	14%	0.144	27%	0.272	C	S	.	.	S	Bend	trans	-62.8	-34.8	174.7	-55.9	169.2	0	0	0	111.2	I667 F689 D695 V697 F730	I667-I671 HydrophobicContact CD1-CG1 4.46Å; I667-I671 HydrophobicContact CG2-CD1 4.37Å; I667-I671 HydrophobicContact CG2-CG1 4.23Å; I671-F689 HydrophobicContact CD1-CD1 4.27Å; I671-F689 HydrophobicContact CD1-CE1 4.2Å; I671-D695 HydrophobicContact CD1-CB 4.04Å; I671-D695 HydrophobicContact CG2-CB 4.44Å; I671-V697 HydrophobicContact CD1-CG2 3.59Å; I671-V697 HydrophobicContact CG1-CG2 3.93Å; I671-F730 HydrophobicContact CG1-CD2 3.98Å; I671-F730 HydrophobicContact CG1-CE2 4.4Å
672	A	78.6	Confident	87	Confident	35 Å²	35	53.2 Å²	53.2	29%	0.289	25%	0.252	S	S	.	.	S	Bend	trans	-130.7	170.8	177.9	0	0	0	0	0	110	N670 K674	N670-A672 WeakPolarHBondContact CB-O 3.43Å; N670-A672 PolarHBondContact O-N 3.49Å; A672-K674 PolarHBondContact O-N 2.65Å; A672-K674 VanDerWaalsContact O-N 3.11Å
673	Q	73.4	Confident	87	Confident	190 Å²	190	52.7 Å²	52.7	89%	0.888	25%	0.249	S	C	*	.	S	Bend	trans	-60.5	-24.8	-178.6	-158.6	177.6	3.2	0	0	113.2
674	K	80.6	Confident	86.8	Confident	168 Å²	168	49.7 Å²	49.7	73%	0.73	24%	0.242	S	C	*	.	S	Bend	trans	-89.3	143	174.1	-67.1	-170.1	177	-172	0	111.4	A672 M676	A672-K674 PolarHBondContact O-N 2.65Å; A672-K674 VanDerWaalsContact O-N 3.11Å; K674-M676 WeakPolarHBondContact O-CG 3.43Å; K674-M676 PolarHBondContact O-N 3.46Å
675	R	80.8	Confident	86.8	Confident	113 Å²	113	47 Å²	47	43%	0.426	23%	0.228	S	C	.	.			trans	-62.1	125.5	171.6	-170.6	173.7	74.3	-178.3	8.5	109.3	Y666 E743	Y666-R675 HydrophobicContact CD1-CG 3.5Å; Y666-R675 HydrophobicContact CE1-CG 3.88Å; Y666-R675 HydrophobicContact CG-CG 4.06Å; Y666-R675 PolarHBondContact OH-NH2 2.97Å; R675-E743 IonicContact CZ-OE1 3.81Å; R675-E743 IonicContact CZ-OE2 3.79Å; R675-E743 IonicContact NH1-OE1 3.59Å; R675-E743 PolarHBondContact NH1-OE1 3.46Å; R675-E743 IonicContact NH1-OE2 2.66Å; R675-E743 PolarHBondContact NH1-OE2 3.29Å; R675-E743 IonicContact NH2-OE2 3.86Å; R675-E743 PolarHBondContact NH2-OE2 3.5Å
676	M	80	Confident	86.8	Confident	24 Å²	24	47 Å²	47	12%	0.118	23%	0.228	C	C	.	.			trans	-115.2	125.4	-175.7	-66.3	-57.9	-59	0	0	110	K674 S691 R693	K674-M676 WeakPolarHBondContact O-CG 3.43Å; K674-M676 PolarHBondContact O-N 3.46Å; M676-S691 WeakPolarHBondContact CE-OG 3.34Å; M676-R693 HydrophobicContact CE-CB 4Å; M676-R693 HydrophobicContact CE-CG 3.47Å; M676-R693 VanDerWaalsContact CE-CG 3.47Å
677	Q	87.5	Confident	86.8	Confident	71 Å²	71	45 Å²	45	33%	0.332	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	152.2	169.4	-159	176.8	9.5	0	0	109.8	D664 L665 Y666 S691 V692	D664-Q677 PolarHBondContact OD1-NE2 3.39Å; D664-Q677 VanDerWaalsContact OD1-NE2 3.08Å; L665-Q677 CarbonylContact O-C 3.54Å; L665-Q677 WeakPolarHBondContact O-CA 3.25Å; Y666-Q677 HydrophobicContact CD1-CB 4.2Å; Y666-Q677 HydrophobicContact CE1-CB 3.84Å; Y666-Q677 HydrophobicContact CE1-CG 4.16Å; Q677-S691 PolarHBondContact O-OG 3.33Å; Q677-V692 HydrophobicContact CB-CG2 4.42Å; Q677-V692 WeakPolarHBondContact O-CG2 3.33Å; Q677-V692 PolarHBondContact O-N 3.49Å; Q677-V692 VanDerWaalsContact O-N 3.09Å
678	G	91.4	Very high	86.8	Confident	4 Å²	4	46.1 Å²	46.1	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	-166.5	176.5	0	0	0	0	0	112.8	D664 L665 T690	D664-G678 PolarHBondContact N-O 2.86Å; L665-G678 PolarHBondContact N-O 3.07Å; L665-G678 VanDerWaalsContact N-O 3.13Å; L665-G678 PolarHBondContact O-N 3.34Å; G678-T690 CarbonylContact C-O 3.55Å; G678-T690 WeakPolarHBondContact CA-O 3.32Å
679	S	92.5	Very high	87	Confident	22 Å²	22	43.4 Å²	43.4	15%	0.154	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141	174.6	-54.2	0	0	0	0	110.4	K661 L662 F689 T690	K661-S679 WeakPolarHBondContact CE-OG 3.23Å; L662-S679 CarbonylContact O-C 3.49Å; L662-S679 WeakPolarHBondContact O-CA 3.26Å; L662-S679 WeakPolarHBondContact O-CB 3.38Å; S679-F689 WeakPolarHBondContact O-CA 3.19Å; S679-T690 PolarHBondContact N-O 3.25Å; S679-T690 PolarHBondContact O-N 2.97Å
680	L	93.1	Very high	87.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.6	174.8	-171.2	67.6	0	0	0	109	K661 L662 L665 F687 F689 F722 F740 F783	K661-L680 WeakPolarHBondContact CA-O 3.27Å; L662-L680 PolarHBondContact N-O 2.9Å; L662-L680 PolarHBondContact O-N 3.45Å; L665-L680 HydrophobicContact CD1-CB 3.4Å; L665-L680 VanDerWaalsContact CD1-CB 3.4Å; L665-L680 HydrophobicContact CD1-CD2 4.38Å; L680-F687 HydrophobicContact CD1-CB 3.85Å; L680-F687 HydrophobicContact CD1-CG 4.48Å; L680-F687 HydrophobicContact CD2-CD1 4.4Å; L680-F687 HydrophobicContact CG-CB 4.47Å; L680-F687 HydrophobicContact CG-CD1 4.35Å; L680-F689 HydrophobicContact CD1-CB 4.09Å; L680-F722 HydrophobicContact CD2-CE2 4.21Å; L680-F740 HydrophobicContact CD1-CD1 4.44Å; L680-F740 HydrophobicContact CD1-CD2 4.14Å; L680-F740 HydrophobicContact CD1-CE1 4.11Å; L680-F740 HydrophobicContact CD1-CE2 3.74Å; L680-F740 HydrophobicContact CD1-CG 4.44Å; L680-F740 HydrophobicContact CD1-CZ 3.73Å; L680-F740 HydrophobicContact CD2-CD2 3.85Å; L680-F740 HydrophobicContact CD2-CE2 4.23Å; L680-F740 HydrophobicContact CD2-CG 4.14Å; L680-F783 HydrophobicContact CD2-CE1 4.16Å; L680-F783 HydrophobicContact CD2-CZ 4.08Å; L680-F783 HydrophobicContact CG-CZ 4.29Å
681	E	91.5	Very high	87.3	Confident	47 Å²	47	42.1 Å²	42.1	22%	0.22	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.8	177.7	-68.5	-179.4	-173.2	0	0	109.6	K661 H683 F687 R688	K661-E681 HydrophobicContact CB-CG 4.15Å; K661-E681 HydrophobicContact CD-CG 3.81Å; K661-E681 WeakPolarHBondContact CD-OE1 3.36Å; K661-E681 WeakPolarHBondContact CE-OE1 3.47Å; K661-E681 HydrophobicContact CG-CG 3.75Å; K661-E681 IonicContact NZ-OE1 3.46Å; K661-E681 PolarHBondContact NZ-OE1 3.44Å; E681-H683 IonicContact OE2-CE1 3.47Å; E681-F687 CarbonylContact O-C 3.45Å; E681-F687 WeakPolarHBondContact O-CA 3.38Å; E681-R688 PolarHBondContact N-O 3.01Å; E681-R688 PolarHBondContact O-N 3.36Å
682	A	90.4	Very high	87.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	137.7	173.5	0	0	0	0	0	110.9	P660 F687 V787 L790	P660-A682 HydrophobicContact CB-CB 4.17Å; P660-A682 HydrophobicContact CG-CB 4.14Å; P660-A682 PolarHBondContact O-N 2.94Å; A682-F687 HydrophobicContact CB-CD1 3.9Å; A682-F687 HydrophobicContact CB-CE1 3.93Å; A682-V787 HydrophobicContact CB-CG2 3.7Å; A682-L790 HydrophobicContact CB-CD2 4.31Å
683	H	89.2	Confident	87.7	Confident	1 Å²	1	53 Å²	53	1%	0.005	25%	0.253	C	S	.	.			trans	-126.8	-175.5	180	-61.7	-70.5	0	0	0	110.9	V652 N659 E681 N685 G686 Y701 L790	V652-H683 WeakPolarHBondContact O-CB 3.34Å; N659-H683 PolarHBondContact ND2-ND1 2.97Å; E681-H683 IonicContact OE2-CE1 3.47Å; H683-N685 VanDerWaalsContact C-N 3.32Å; H683-N685 PolarHBondContact O-N 3.41Å; H683-G686 WeakPolarHBondContact CA-O 3.41Å; H683-G686 WeakPolarHBondContact CB-O 3.47Å; H683-G686 PolarHBondContact N-O 3.26Å; H683-Y701 WeakPolarHBondContact O-CE2 3.45Å; H683-Y701 PolarHBondContact O-OH 2.99Å; H683-L790 WeakPolarHBondContact O-CD2 3.47Å
684	T	84.3	Confident	88.2	Confident	72 Å²	72	46 Å²	46	44%	0.442	23%	0.232	S	C	.	.	S	Bend	trans	-60.8	-35.3	-176.2	31.2	0	0	0	0	114.6	V652 N654	V652-T684 PolarHBondContact O-OG1 3.3Å; N654-T684 WeakPolarHBondContact ND2-CG2 3.26Å
685	N	87.6	Confident	88.4	Confident	41 Å²	41	40.7 Å²	40.7	22%	0.219	21%	0.211	C	C	.	.	S	Bend	trans	-126.3	10.9	-172.2	66.9	-28.2	0	0	0	113.5	S650 L651 V652 H683 L700 Y701	S650-N685 PolarHBondContact O-ND2 2.75Å; L651-N685 VanDerWaalsContact CD1-OD1 3.31Å; L651-N685 WeakPolarHBondContact CD1-OD1 3.38Å; V652-N685 PolarHBondContact N-ND2 3.45Å; V652-N685 PolarHBondContact N-OD1 3.22Å; H683-N685 VanDerWaalsContact C-N 3.32Å; H683-N685 PolarHBondContact O-N 3.41Å; N685-L700 WeakPolarHBondContact O-CA 3.23Å; N685-Y701 VanDerWaalsContact C-CD2 3.4Å; N685-Y701 PolarHBondContact O-N 2.84Å
686	G	90.6	Very high	88.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-176.3	179.7	0	0	0	0	0	114.5	L651 H683 I699 Y701	L651-G686 VanDerWaalsContact CD1-CA 3.4Å; H683-G686 WeakPolarHBondContact CA-O 3.41Å; H683-G686 WeakPolarHBondContact CB-O 3.47Å; H683-G686 PolarHBondContact N-O 3.26Å; G686-I699 CarbonylContact C-O 3.48Å; G686-I699 WeakPolarHBondContact CA-O 3.37Å; G686-Y701 VanDerWaalsContact CA-CE1 3.48Å; G686-Y701 VanDerWaalsContact N-CE2 3.29Å
687	F	92.3	Very high	89.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	150.3	172.4	-55.4	-81.6	0	0	0	111.7	L680 E681 A682 I699 Y701 I704 F722 F783 V787 L795 F797	L680-F687 HydrophobicContact CD1-CB 3.85Å; L680-F687 HydrophobicContact CD1-CG 4.48Å; L680-F687 HydrophobicContact CD2-CD1 4.4Å; L680-F687 HydrophobicContact CG-CB 4.47Å; L680-F687 HydrophobicContact CG-CD1 4.35Å; E681-F687 CarbonylContact O-C 3.45Å; E681-F687 WeakPolarHBondContact O-CA 3.38Å; A682-F687 HydrophobicContact CB-CD1 3.9Å; A682-F687 HydrophobicContact CB-CE1 3.93Å; F687-I699 HydrophobicContact CB-CB 4.46Å; F687-I699 PolarHBondContact N-O 3.47Å; F687-I699 PolarHBondContact O-N 3.33Å; F687-Y701 HydrophobicContact CD2-CD1 4.2Å; F687-Y701 AromaticContact CD2-CE1 3.81Å; F687-Y701 HydrophobicContact CD2-CE1 3.81Å; F687-Y701 HydrophobicContact CE1-CE1 4.2Å; F687-Y701 AromaticContact CE2-CD1 3.83Å; F687-Y701 HydrophobicContact CE2-CD1 3.83Å; F687-Y701 AromaticContact CE2-CE1 3.45Å; F687-Y701 HydrophobicContact CE2-CE1 3.45Å; F687-Y701 VanDerWaalsContact CE2-CE1 3.45Å; F687-Y701 HydrophobicContact CG-CE1 4.33Å; F687-Y701 HydrophobicContact CZ-CD1 4.39Å; F687-Y701 AromaticContact CZ-CE1 3.65Å; F687-Y701 HydrophobicContact CZ-CE1 3.65Å; F687-I704 HydrophobicContact CD2-CD1 3.88Å; F687-I704 HydrophobicContact CE2-CD1 3.65Å; F687-F722 HydrophobicContact CD2-CE1 4.16Å; F687-F722 HydrophobicContact CD2-CE2 4.28Å; F687-F722 AromaticContact CD2-CZ 3.83Å; F687-F722 HydrophobicContact CD2-CZ 3.83Å; F687-F722 HydrophobicContact CE1-CZ 4.33Å; F687-F722 HydrophobicContact CE2-CD1 4.43Å; F687-F722 AromaticContact CE2-CE1 3.55Å; F687-F722 HydrophobicContact CE2-CE1 3.55Å; F687-F722 HydrophobicContact CE2-CE2 4.39Å; F687-F722 AromaticContact CE2-CZ 3.51Å; F687-F722 HydrophobicContact CE2-CZ 3.51Å; F687-F722 HydrophobicContact CG-CZ 4.36Å; F687-F722 HydrophobicContact CZ-CE1 4.01Å; F687-F722 AromaticContact CZ-CZ 3.8Å; F687-F722 HydrophobicContact CZ-CZ 3.8Å; F687-F783 HydrophobicContact CE1-CE1 4.5Å; F687-F783 HydrophobicContact CE1-CZ 4.35Å; F687-V787 HydrophobicContact CE1-CG1 3.74Å; F687-V787 HydrophobicContact CE1-CG2 3.98Å; F687-V787 HydrophobicContact CZ-CG1 3.68Å; F687-L795 HydrophobicContact CE2-CD2 3.57Å; F687-L795 HydrophobicContact CZ-CD2 3.66Å; F687-F797 AromaticContact CZ-CZ 3.88Å; F687-F797 HydrophobicContact CZ-CZ 3.88Å
688	R	91.9	Very high	89.4	Confident	24 Å²	24	39.8 Å²	39.8	9%	0.091	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119	165.8	175.7	163.8	-75.1	168.3	2.4	110	L651 E681 V697 D698	L651-R688 HydrophobicContact CD2-CB 3.66Å; E681-R688 PolarHBondContact N-O 3.01Å; E681-R688 PolarHBondContact O-N 3.36Å; R688-V697 WeakPolarHBondContact CA-O 3.48Å; R688-D698 IonicContact CZ-OD1 3.94Å; R688-D698 VanDerWaalsContact CZ-OD1 3.26Å; R688-D698 IonicContact CZ-OD2 3.82Å; R688-D698 IonicContact NE-OD1 2.75Å; R688-D698 PolarHBondContact NE-OD1 2.98Å; R688-D698 IonicContact NE-OD2 2.69Å; R688-D698 VanDerWaalsContact NH2-CG 3.29Å; R688-D698 IonicContact NH2-OD1 3.96Å; R688-D698 PolarHBondContact NH2-OD1 2.91Å; R688-D698 VanDerWaalsContact NH2-OD1 3.08Å; R688-D698 IonicContact NH2-OD2 3.11Å; R688-D698 PolarHBondContact NH2-OD2 3.43Å
689	F	92.5	Very high	89.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.6	163.8	179.9	-101.8	0	0	0	109.5	L665 I667 I671 S679 L680 K696 V697 F740	L665-F689 HydrophobicContact CB-CE2 4.3Å; I667-F689 HydrophobicContact CB-CD1 4.29Å; I667-F689 HydrophobicContact CB-CE1 3.91Å; I667-F689 HydrophobicContact CB-CE2 4.39Å; I667-F689 HydrophobicContact CB-CZ 3.94Å; I667-F689 HydrophobicContact CD1-CD1 4.07Å; I667-F689 HydrophobicContact CD1-CE1 4.45Å; I667-F689 HydrophobicContact CD1-CG 4.47Å; I667-F689 HydrophobicContact CG2-CD1 4.25Å; I667-F689 HydrophobicContact CG2-CE1 3.57Å; I667-F689 HydrophobicContact CG2-CZ 3.87Å; I671-F689 HydrophobicContact CD1-CD1 4.27Å; I671-F689 HydrophobicContact CD1-CE1 4.2Å; S679-F689 WeakPolarHBondContact O-CA 3.19Å; L680-F689 HydrophobicContact CD1-CB 4.09Å; F689-K696 CarbonylContact O-C 3.54Å; F689-K696 VanDerWaalsContact O-CA 3.32Å; F689-K696 WeakPolarHBondContact O-CA 3.43Å; F689-V697 HydrophobicContact CB-CB 4.27Å; F689-V697 PolarHBondContact N-O 3.33Å; F689-V697 PolarHBondContact O-N 3Å; F689-F740 HydrophobicContact CB-CE1 3.51Å; F689-F740 HydrophobicContact CB-CZ 3.81Å; F689-F740 HydrophobicContact CD1-CE1 4.3Å; F689-F740 AromaticContact CD2-CD1 3.67Å; F689-F740 HydrophobicContact CD2-CD1 3.67Å; F689-F740 AromaticContact CD2-CE1 3.37Å; F689-F740 HydrophobicContact CD2-CE1 3.37Å; F689-F740 HydrophobicContact CD2-CZ 4.42Å; F689-F740 HydrophobicContact CE2-CD1 4.06Å; F689-F740 HydrophobicContact CE2-CE1 4.09Å; F689-F740 HydrophobicContact CG-CD1 4.24Å; F689-F740 AromaticContact CG-CE1 3.48Å; F689-F740 HydrophobicContact CG-CE1 3.48Å; F689-F740 VanDerWaalsContact CG-CE1 3.48Å; F689-F740 HydrophobicContact CG-CZ 4.28Å
690	T	91.4	Very high	89.3	Confident	39 Å²	39	38.7 Å²	38.7	24%	0.239	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.5	173.6	-53.7	0	0	0	0	109.1	G678 S679 D695	G678-T690 CarbonylContact C-O 3.55Å; G678-T690 WeakPolarHBondContact CA-O 3.32Å; S679-T690 PolarHBondContact N-O 3.25Å; S679-T690 PolarHBondContact O-N 2.97Å; T690-D695 WeakPolarHBondContact CA-O 3.37Å
691	S	89.8	Confident	89.2	Confident	5 Å²	5	40.2 Å²	40.2	4%	0.035	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	157.3	173.7	-178.5	0	0	0	0	111.3	M676 Q677 R693 G694 D695	M676-S691 WeakPolarHBondContact CE-OG 3.34Å; Q677-S691 PolarHBondContact O-OG 3.33Å; S691-R693 PolarHBondContact O-N 3.19Å; S691-R693 VanDerWaalsContact O-N 3.12Å; S691-R693 PolarHBondContact OG-N 3.01Å; S691-G694 PolarHBondContact O-N 3.38Å; S691-D695 PolarHBondContact N-O 3.39Å
692	V	87.1	Confident	89	Confident	117 Å²	117	43.3 Å²	43.3	71%	0.709	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-28.9	169.8	177.2	0	0	0	0	112.5	Q677 G694	Q677-V692 HydrophobicContact CB-CG2 4.42Å; Q677-V692 WeakPolarHBondContact O-CG2 3.33Å; Q677-V692 PolarHBondContact O-N 3.49Å; Q677-V692 VanDerWaalsContact O-N 3.09Å; V692-G694 VanDerWaalsContact C-N 3.29Å; V692-G694 PolarHBondContact O-N 3.11Å
693	R	84.4	Confident	89	Confident	176 Å²	176	43.6 Å²	43.6	66%	0.664	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.1	175.5	-75.7	179.4	71.1	-160.4	-1.2	114.7	M676 S691	M676-R693 HydrophobicContact CE-CB 4Å; M676-R693 HydrophobicContact CE-CG 3.47Å; M676-R693 VanDerWaalsContact CE-CG 3.47Å; S691-R693 PolarHBondContact O-N 3.19Å; S691-R693 VanDerWaalsContact O-N 3.12Å; S691-R693 PolarHBondContact OG-N 3.01Å
694	G	83	Confident	89.1	Confident	43 Å²	43	43.9 Å²	43.9	44%	0.443	23%	0.23	S	C	.	.			trans	87.4	4.6	-176.3	0	0	0	0	0	114.8	S691 V692	S691-G694 PolarHBondContact O-N 3.38Å; V692-G694 VanDerWaalsContact C-N 3.29Å; V692-G694 PolarHBondContact O-N 3.11Å
695	D	86.3	Confident	89.5	Confident	56 Å²	56	43.1 Å²	43.1	30%	0.299	22%	0.22	S	C	.	.			trans	-65.2	136.3	170.6	-61.8	-47.1	0	0	0	109.9	I671 T690 S691	I671-D695 HydrophobicContact CD1-CB 4.04Å; I671-D695 HydrophobicContact CG2-CB 4.44Å; T690-D695 WeakPolarHBondContact CA-O 3.37Å; S691-D695 PolarHBondContact N-O 3.39Å
696	K	88	Confident	89.7	Confident	134 Å²	134	41.9 Å²	41.9	58%	0.583	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.4	-175.2	-60.8	174.2	-170.5	175.4	0	110.2	F689	F689-K696 CarbonylContact O-C 3.54Å; F689-K696 VanDerWaalsContact O-CA 3.32Å; F689-K696 WeakPolarHBondContact O-CA 3.43Å
697	V	89.4	Confident	89.8	Confident	5 Å²	5	42 Å²	42	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.6	172	-176.2	0	0	0	0	107.9	I667 I671 R688 F689 I699 I728 F730	I667-V697 HydrophobicContact CD1-CB 4.36Å; I667-V697 HydrophobicContact CD1-CG1 4.4Å; I667-V697 HydrophobicContact CD1-CG2 4.05Å; I671-V697 HydrophobicContact CD1-CG2 3.59Å; I671-V697 HydrophobicContact CG1-CG2 3.93Å; R688-V697 WeakPolarHBondContact CA-O 3.48Å; F689-V697 HydrophobicContact CB-CB 4.27Å; F689-V697 PolarHBondContact N-O 3.33Å; F689-V697 PolarHBondContact O-N 3Å; V697-I699 HydrophobicContact CG1-CG1 4.33Å; V697-I728 HydrophobicContact CG1-CD1 4.18Å; V697-F730 HydrophobicContact CG1-CB 4.4Å; V697-F730 HydrophobicContact CG1-CD1 3.76Å; V697-F730 HydrophobicContact CG1-CD2 4.5Å; V697-F730 HydrophobicContact CG1-CE1 4.11Å; V697-F730 HydrophobicContact CG1-CG 3.98Å; V697-F730 HydrophobicContact CG2-CB 4.13Å; V697-F730 HydrophobicContact CG2-CD2 4.07Å; V697-F730 HydrophobicContact CG2-CG 4.05Å
698	D	90.6	Very high	89.9	Confident	50 Å²	50	42 Å²	42	27%	0.267	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.7	-178.3	-67.3	-13.6	0	0	0	109.6	L651 R688	L651-D698 HydrophobicContact CB-CB 4.15Å; L651-D698 HydrophobicContact CD2-CB 4.28Å; R688-D698 IonicContact CZ-OD1 3.94Å; R688-D698 VanDerWaalsContact CZ-OD1 3.26Å; R688-D698 IonicContact CZ-OD2 3.82Å; R688-D698 IonicContact NE-OD1 2.75Å; R688-D698 PolarHBondContact NE-OD1 2.98Å; R688-D698 IonicContact NE-OD2 2.69Å; R688-D698 VanDerWaalsContact NH2-CG 3.29Å; R688-D698 IonicContact NH2-OD1 3.96Å; R688-D698 PolarHBondContact NH2-OD1 2.91Å; R688-D698 VanDerWaalsContact NH2-OD1 3.08Å; R688-D698 IonicContact NH2-OD2 3.11Å; R688-D698 PolarHBondContact NH2-OD2 3.43Å
699	I	91.5	Very high	90	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	106.4	-178.6	-55.5	174.4	0	0	0	108	G686 F687 V697 I704 F722 L724 I728 V738 F740	G686-I699 CarbonylContact C-O 3.48Å; G686-I699 WeakPolarHBondContact CA-O 3.37Å; F687-I699 HydrophobicContact CB-CB 4.46Å; F687-I699 PolarHBondContact N-O 3.47Å; F687-I699 PolarHBondContact O-N 3.33Å; V697-I699 HydrophobicContact CG1-CG1 4.33Å; I699-I704 HydrophobicContact CG2-CD1 3.92Å; I699-I704 HydrophobicContact CG2-CG1 3.78Å; I699-F722 HydrophobicContact CD1-CD2 4.34Å; I699-L724 HydrophobicContact CG2-CD2 3.67Å; I699-I728 HydrophobicContact CG1-CD1 4.08Å; I699-V738 HydrophobicContact CD1-CB 4.35Å; I699-V738 HydrophobicContact CD1-CG1 4.06Å; I699-F740 HydrophobicContact CD1-CE2 3.71Å; I699-F740 HydrophobicContact CD1-CZ 3.77Å
700	L	91.1	Very high	89.9	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	145.6	179.4	-60.1	-179	0	0	0	112.5	Q648 D649 L651 N685 N702 N703 I704	Q648-L700 HydrophobicContact CB-CD1 3.95Å; Q648-L700 HydrophobicContact CG-CD1 4.43Å; D649-L700 HydrophobicContact CB-CD1 3.96Å; D649-L700 WeakPolarHBondContact O-CD1 3.47Å; L651-L700 HydrophobicContact CB-CD2 4.27Å; L651-L700 HydrophobicContact CD1-CD2 3.76Å; N685-L700 WeakPolarHBondContact O-CA 3.23Å; L700-N702 VanDerWaalsContact C-N 3.34Å; L700-N702 WeakPolarHBondContact CB-OD1 3.43Å; L700-N702 PolarHBondContact O-N 3.25Å; L700-N703 PolarHBondContact O-N 2.95Å; L700-I704 PolarHBondContact O-N 3.34Å
701	Y	90	Very high	89.8	Confident	31 Å²	31	40 Å²	40	12%	0.122	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-60.1	-41.2	178	-61.1	-36.7	0	0	0	112.7	H683 N685 G686 F687 N703 I704 T791 L795	H683-Y701 WeakPolarHBondContact O-CE2 3.45Å; H683-Y701 PolarHBondContact O-OH 2.99Å; N685-Y701 VanDerWaalsContact C-CD2 3.4Å; N685-Y701 PolarHBondContact O-N 2.84Å; G686-Y701 VanDerWaalsContact CA-CE1 3.48Å; G686-Y701 VanDerWaalsContact N-CE2 3.29Å; F687-Y701 HydrophobicContact CD2-CD1 4.2Å; F687-Y701 AromaticContact CD2-CE1 3.81Å; F687-Y701 HydrophobicContact CD2-CE1 3.81Å; F687-Y701 HydrophobicContact CE1-CE1 4.2Å; F687-Y701 AromaticContact CE2-CD1 3.83Å; F687-Y701 HydrophobicContact CE2-CD1 3.83Å; F687-Y701 AromaticContact CE2-CE1 3.45Å; F687-Y701 HydrophobicContact CE2-CE1 3.45Å; F687-Y701 VanDerWaalsContact CE2-CE1 3.45Å; F687-Y701 HydrophobicContact CG-CE1 4.33Å; F687-Y701 HydrophobicContact CZ-CD1 4.39Å; F687-Y701 AromaticContact CZ-CE1 3.65Å; F687-Y701 HydrophobicContact CZ-CE1 3.65Å; Y701-N703 PolarHBondContact O-N 2.82Å; Y701-N703 VanDerWaalsContact O-N 3.14Å; Y701-I704 HydrophobicContact CD1-CD1 4.37Å; Y701-I704 PolarHBondContact O-N 3.35Å; Y701-I704 VanDerWaalsContact O-N 3.11Å; Y701-T791 HydrophobicContact CD1-CG2 4.48Å; Y701-T791 HydrophobicContact CD2-CG2 3.92Å; Y701-T791 HydrophobicContact CE1-CG2 4.08Å; Y701-T791 HydrophobicContact CE2-CG2 3.46Å; Y701-T791 VanDerWaalsContact CE2-CG2 3.46Å; Y701-T791 HydrophobicContact CG-CG2 4.43Å; Y701-L795 HydrophobicContact CD1-CD2 3.89Å; Y701-L795 HydrophobicContact CE1-CD2 4.14Å
702	N	88.4	Confident	89.6	Confident	113 Å²	113	39.8 Å²	39.8	60%	0.604	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-61.5	-25.3	179.7	65.2	-1.6	0	0	0	114	L700 K725	L700-N702 VanDerWaalsContact C-N 3.34Å; L700-N702 WeakPolarHBondContact CB-OD1 3.43Å; L700-N702 PolarHBondContact O-N 3.25Å; N702-K725 PolarHBondContact O-NZ 2.9Å
703	N	90.4	Very high	89.2	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.027	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-92.2	-12.8	-178.4	-164.1	55.2	0	0	0	112.6	Q648 L700 Y701 L724 K725 N726	Q648-N703 PolarHBondContact NE2-ND2 3.12Å; L700-N703 PolarHBondContact O-N 2.95Å; Y701-N703 PolarHBondContact O-N 2.82Å; Y701-N703 VanDerWaalsContact O-N 3.14Å; N703-L724 CarbonylContact O-C 3.55Å; N703-L724 VanDerWaalsContact O-CA 3.27Å; N703-L724 WeakPolarHBondContact O-CA 3.29Å; N703-K725 PolarHBondContact O-N 3.05Å; N703-N726 PolarHBondContact ND2-O 2.73Å; N703-N726 VanDerWaalsContact OD1-CB 3.25Å; N703-N726 WeakPolarHBondContact OD1-CB 3.49Å; N703-N726 PolarHBondContact OD1-N 3.03Å; N703-N726 PolarHBondContact OD1-ND2 3.06Å
704	I	91.6	Very high	88.8	Confident	8 Å²	8	32.1 Å²	32.1	4%	0.041	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	130.4	172.3	-59.2	166.6	0	0	0	107.6	F687 I699 L700 Y701 A707 F722 L724 K725 L795	F687-I704 HydrophobicContact CD2-CD1 3.88Å; F687-I704 HydrophobicContact CE2-CD1 3.65Å; I699-I704 HydrophobicContact CG2-CD1 3.92Å; I699-I704 HydrophobicContact CG2-CG1 3.78Å; L700-I704 PolarHBondContact O-N 3.34Å; Y701-I704 HydrophobicContact CD1-CD1 4.37Å; Y701-I704 PolarHBondContact O-N 3.35Å; Y701-I704 VanDerWaalsContact O-N 3.11Å; I704-A707 HydrophobicContact CG2-CB 4.14Å; I704-F722 HydrophobicContact CD1-CD1 3.74Å; I704-F722 HydrophobicContact CD1-CE1 4.08Å; I704-F722 HydrophobicContact CD1-CG 4.35Å; I704-F722 HydrophobicContact CG1-CD1 4.3Å; I704-F722 HydrophobicContact CG2-CD1 4.09Å; I704-L724 HydrophobicContact CB-CD2 4.5Å; I704-L724 HydrophobicContact CG1-CD2 3.82Å; I704-K725 WeakPolarHBondContact O-CE 3.31Å; I704-L795 HydrophobicContact CB-CD1 4.13Å; I704-L795 HydrophobicContact CD1-CD1 4.28Å; I704-L795 HydrophobicContact CD1-CD2 4.14Å; I704-L795 HydrophobicContact CG2-CD1 3.89Å
705	K	90.8	Very high	88.7	Confident	55 Å²	55	31.9 Å²	31.9	24%	0.239	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-51	173.5	-169.3	174.6	167.7	-164.7	0	110.1	H723 K725 T836 E839	K705-H723 WeakPolarHBondContact CA-O 3.18Å; K705-H723 WeakPolarHBondContact CB-O 3.48Å; K705-H723 PolarHBondContact N-O 3.27Å; K705-K725 HydrophobicContact CB-CG 3.68Å; K705-K725 HydrophobicContact CD-CG 4.39Å; K705-K725 HydrophobicContact CG-CG 4.17Å; K705-T836 VanDerWaalsContact CE-OG1 3.26Å; K705-T836 WeakPolarHBondContact CE-OG1 3.36Å; K705-T836 PolarHBondContact NZ-OG1 3.37Å; K705-E839 IonicContact NZ-OE1 2.72Å; K705-E839 PolarHBondContact NZ-OE1 2.83Å; K705-E839 IonicContact NZ-OE2 2.8Å; K705-E839 PolarHBondContact NZ-OE2 2.88Å; K705-E839 VanDerWaalsContact NZ-OE2 3.15Å
706	H	91.9	Very high	88.5	Confident	16 Å²	16	33.8 Å²	33.8	7%	0.074	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.6	175.8	-58.7	-57.4	0	0	0	109.6	I708 H723 S822 T836	H706-I708 HydrophobicContact CB-CD1 4.39Å; H706-I708 HydrophobicContact CB-CG1 4.36Å; H706-H723 HydrophobicContact CB-CB 4.08Å; H706-H723 AromaticContact CD2-CD2 3.87Å; H706-H723 PolarHBondContact N-O 3.35Å; H706-H723 PolarHBondContact O-N 3.11Å; H706-S822 PolarHBondContact CE1-OG 2.8Å; H706-T836 WeakPolarHBondContact NE2-CG2 3.31Å; H706-T836 PolarHBondContact NE2-OG1 3.33Å
707	A	93.6	Very high	88.5	Confident	3 Å²	3	28.2 Å²	28.2	3%	0.025	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.7	168	0	0	0	0	0	107.8	I704 H721 F722 L795 F797 E798	I704-A707 HydrophobicContact CG2-CB 4.14Å; A707-H721 WeakPolarHBondContact CA-O 3.29Å; A707-F722 HydrophobicContact CB-CD1 3.85Å; A707-F722 HydrophobicContact CB-CE1 3.87Å; A707-L795 HydrophobicContact CB-CD1 3.9Å; A707-L795 HydrophobicContact CB-CD2 4.44Å; A707-L795 HydrophobicContact CB-CG 4.16Å; A707-F797 HydrophobicContact CB-CD1 3.93Å; A707-F797 HydrophobicContact CB-CE1 4.01Å; A707-F797 HydrophobicContact CB-CG 4.43Å; A707-F797 WeakPolarHBondContact O-CA 3.49Å; A707-E798 PolarHBondContact O-N 3.24Å
708	I	93.6	Very high	88.6	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.7	-170.4	-59.6	162.3	0	0	0	108.4	H706 L720 H721 E798 I825 V827 V834	H706-I708 HydrophobicContact CB-CD1 4.39Å; H706-I708 HydrophobicContact CB-CG1 4.36Å; I708-L720 CarbonylContact O-C 3.46Å; I708-L720 WeakPolarHBondContact O-CA 3.46Å; I708-H721 HydrophobicContact CB-CB 4.21Å; I708-H721 PolarHBondContact N-O 3.03Å; I708-H721 PolarHBondContact O-N 3.39Å; I708-E798 WeakPolarHBondContact CA-O 3.45Å; I708-I825 HydrophobicContact CB-CD1 4.4Å; I708-I825 HydrophobicContact CD1-CB 4.33Å; I708-I825 HydrophobicContact CD1-CD1 3.89Å; I708-I825 HydrophobicContact CD1-CG2 3.71Å; I708-I825 HydrophobicContact CG1-CD1 4.29Å; I708-I825 HydrophobicContact CG2-CD1 3.31Å; I708-V827 HydrophobicContact CD1-CG1 4.18Å; I708-V827 HydrophobicContact CG2-CG2 4.2Å; I708-V834 HydrophobicContact CD1-CG2 4.26Å
709	F	93.8	Very high	88.7	Confident	8 Å²	8	25.6 Å²	25.6	4%	0.035	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.8	172.5	173.3	-124.2	0	0	0	110.9	P711 I718 L720 F780 K781 I784 F797 E798 V799 P800	F709-P711 HydrophobicContact CE1-CB 4.44Å; F709-P711 HydrophobicContact CZ-CB 4.44Å; F709-I718 HydrophobicContact CE2-CD1 3.81Å; F709-I718 HydrophobicContact CE2-CG1 3.76Å; F709-I718 HydrophobicContact CZ-CD1 4.02Å; F709-I718 HydrophobicContact CZ-CG1 4.37Å; F709-L720 HydrophobicContact CB-CD2 3.96Å; F709-L720 HydrophobicContact CD2-CD2 3.63Å; F709-L720 HydrophobicContact CD2-CG 4.35Å; F709-L720 HydrophobicContact CG-CD2 4.17Å; F709-F780 HydrophobicContact CD2-CD1 4.35Å; F709-F780 HydrophobicContact CE2-CB 3.7Å; F709-F780 AromaticContact CE2-CD1 3.81Å; F709-F780 HydrophobicContact CE2-CD1 3.81Å; F709-F780 HydrophobicContact CE2-CG 4.12Å; F709-F780 HydrophobicContact CZ-CB 3.94Å; F709-K781 HydrophobicContact CE1-CG 4.34Å; F709-I784 HydrophobicContact CB-CD1 3.77Å; F709-I784 HydrophobicContact CD1-CD1 3.51Å; F709-I784 HydrophobicContact CD2-CD1 3.67Å; F709-I784 HydrophobicContact CE1-CD1 3.95Å; F709-I784 HydrophobicContact CE2-CD1 4.09Å; F709-I784 HydrophobicContact CG-CD1 3.34Å; F709-I784 HydrophobicContact CZ-CD1 4.22Å; F709-F797 HydrophobicContact CB-CB 4.37Å; F709-E798 PolarHBondContact N-O 2.76Å; F709-V799 HydrophobicContact CD1-CG2 4.19Å; F709-P800 VanDerWaalsContact O-CD 3.26Å; F709-P800 WeakPolarHBondContact O-CD 3.23Å
710	Q	91	Very high	88.8	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.2	172.1	-175.2	71.6	40.2	0	0	109.7	V719 Q818 V827 T828	Q710-V719 HydrophobicContact CB-CB 4.01Å; Q710-V719 HydrophobicContact CB-CG1 3.63Å; Q710-V719 PolarHBondContact N-O 2.89Å; Q710-V719 PolarHBondContact O-N 2.88Å; Q710-Q818 VanDerWaalsContact NE2-OE1 3.17Å; Q710-V827 HydrophobicContact CB-CG2 3.82Å; Q710-V827 HydrophobicContact CG-CG2 4.35Å; Q710-T828 HydrophobicContact CG-CG2 3.96Å
711	P	89.3	Confident	88.9	Confident	12 Å²	12	25.5 Å²	25.5	8%	0.078	14%	0.144	C	C	.	.			trans	-71.6	155	172.8	30.6	-34.1	0	0	0	111.5	F709 D713	F709-P711 HydrophobicContact CE1-CB 4.44Å; F709-P711 HydrophobicContact CZ-CB 4.44Å; P711-D713 PolarHBondContact O-N 2.84Å
712	C	85.2	Confident	89.2	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.			trans	-78.4	27.7	175.8	60.2	0	0	0	0	113.8	G714 I718 V744	C712-G714 PolarHBondContact O-N 2.85Å; C712-I718 HydrophobicContact CB-CB 4.06Å; C712-V744 HydrophobicContact CB-CB 4.34Å; C712-V744 HydrophobicContact CB-CG2 3.94Å
713	D	79.8	Confident	89.4	Confident	63 Å²	63	19.8 Å²	19.8	34%	0.337	12%	0.115	S	C	.	.	S	Bend	trans	-76.4	108.1	179.6	-61.7	-31.3	0	0	0	107.2	P711 E715 K777 R802	P711-D713 PolarHBondContact O-N 2.84Å; D713-E715 PolarHBondContact O-N 2.86Å; D713-K777 IonicContact OD1-NZ 3.21Å; D713-K777 PolarHBondContact OD1-NZ 3.35Å; D713-K777 IonicContact OD2-NZ 3.22Å; D713-K777 PolarHBondContact OD2-NZ 2.91Å; D713-R802 PolarHBondContact O-NH1 2.65Å; D713-R802 PolarHBondContact O-NH2 3.34Å; D713-R802 VanDerWaalsContact O-NH2 3.08Å
714	G	74.9	Confident	89.4	Confident	68 Å²	68	19.6 Å²	19.6	70%	0.701	11%	0.114	S	C	*	.	S	Bend	trans	65.5	14.2	-177.3	0	0	0	0	0	115.6	C712	C712-G714 PolarHBondContact O-N 2.85Å
715	E	80.9	Confident	89.3	Confident	39 Å²	39	25.2 Å²	25.2	18%	0.182	14%	0.138	C	C	.	.	S	Bend	trans	-124.4	149.7	177.7	-61.2	-62.5	156.6	0	0	109.9	D713 I717 R802 T828	D713-E715 PolarHBondContact O-N 2.86Å; E715-I717 PolarHBondContact O-N 3.12Å; E715-R802 IonicContact OE1-NH2 3.36Å; E715-R802 PolarHBondContact OE1-NH2 3.08Å; E715-T828 HydrophobicContact CG-CG2 3.98Å
716	M	82.6	Confident	89	Confident	95 Å²	95	25.7 Å²	25.7	47%	0.468	14%	0.143	S	C	.	.	S	Bend	trans	-78.3	-7.6	-179.2	-66	-66.7	-76.2	0	0	113.5	V744 I747	M716-V744 PolarHBondContact O-N 3.04Å; M716-I747 HydrophobicContact CE-CG1 4.27Å
717	I	88.8	Confident	88.6	Confident	18 Å²	18	26.1 Å²	26.1	9%	0.092	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.4	-178.4	64.5	173.8	0	0	0	110.8	E715 V719 Y741 T742 E743 T828	E715-I717 PolarHBondContact O-N 3.12Å; I717-V719 HydrophobicContact CD1-CG2 4.06Å; I717-Y741 HydrophobicContact CB-CD2 4.38Å; I717-Y741 HydrophobicContact CG2-CD2 4.06Å; I717-Y741 HydrophobicContact CG2-CE2 4.48Å; I717-T742 WeakPolarHBondContact CA-O 3.45Å; I717-E743 HydrophobicContact CG2-CG 3.95Å; I717-T828 WeakPolarHBondContact CD1-O 3.48Å
718	I	91.1	Very high	88.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.3	162.5	-173.8	163.9	0	0	0	107.8	F709 C712 Y741 T742 V744 F780	F709-I718 HydrophobicContact CE2-CD1 3.81Å; F709-I718 HydrophobicContact CE2-CG1 3.76Å; F709-I718 HydrophobicContact CZ-CD1 4.02Å; F709-I718 HydrophobicContact CZ-CG1 4.37Å; C712-I718 HydrophobicContact CB-CB 4.06Å; I718-Y741 WeakPolarHBondContact O-CA 3.47Å; I718-Y741 WeakPolarHBondContact O-CB 3.03Å; I718-T742 PolarHBondContact N-O 2.89Å; I718-T742 PolarHBondContact O-N 3.24Å; I718-V744 HydrophobicContact CG2-CG2 4.18Å; I718-F780 HydrophobicContact CD1-CB 3.78Å; I718-F780 HydrophobicContact CD1-CD1 3.96Å; I718-F780 HydrophobicContact CD1-CD2 3.7Å; I718-F780 HydrophobicContact CD1-CE1 4.42Å; I718-F780 HydrophobicContact CD1-CE2 4.18Å; I718-F780 HydrophobicContact CD1-CG 3.55Å; I718-F780 HydrophobicContact CG1-CD1 3.92Å; I718-F780 HydrophobicContact CG1-CD2 4.3Å; I718-F780 HydrophobicContact CG1-CE1 4.03Å; I718-F780 HydrophobicContact CG1-CE2 4.4Å; I718-F780 HydrophobicContact CG1-CG 4.04Å; I718-F780 HydrophobicContact CG1-CZ 4.25Å; I718-F780 HydrophobicContact CG2-CD2 4.34Å; I718-F780 HydrophobicContact CG2-CE1 4.25Å; I718-F780 HydrophobicContact CG2-CE2 3.73Å; I718-F780 HydrophobicContact CG2-CZ 3.66Å
719	V	92.2	Very high	87.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.8	-170.1	120.3	0	0	0	0	111.5	Q710 I717 H721 Q739 Y741 V827	Q710-V719 HydrophobicContact CB-CB 4.01Å; Q710-V719 HydrophobicContact CB-CG1 3.63Å; Q710-V719 PolarHBondContact N-O 2.89Å; Q710-V719 PolarHBondContact O-N 2.88Å; I717-V719 HydrophobicContact CD1-CG2 4.06Å; V719-H721 HydrophobicContact CG1-CB 4.16Å; V719-Q739 HydrophobicContact CG2-CB 4.4Å; V719-Y741 VanDerWaalsContact CG2-CB 3.47Å; V719-V827 HydrophobicContact CG1-CB 3.91Å; V719-V827 HydrophobicContact CG1-CG2 3.64Å
720	L	93.8	Very high	87	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	110.2	159.1	-71.7	171	0	0	0	107.6	L662 I708 F709 Q739 F740 F780 F783 I784 F797	L662-L720 HydrophobicContact CD2-CD1 3.92Å; I708-L720 CarbonylContact O-C 3.46Å; I708-L720 WeakPolarHBondContact O-CA 3.46Å; F709-L720 HydrophobicContact CB-CD2 3.96Å; F709-L720 HydrophobicContact CD2-CD2 3.63Å; F709-L720 HydrophobicContact CD2-CG 4.35Å; F709-L720 HydrophobicContact CG-CD2 4.17Å; L720-Q739 CarbonylContact O-C 3.59Å; L720-Q739 WeakPolarHBondContact O-CA 3.19Å; L720-F740 HydrophobicContact CB-CB 4.42Å; L720-F740 PolarHBondContact N-O 3.09Å; L720-F740 PolarHBondContact O-N 2.95Å; L720-F780 HydrophobicContact CD1-CD1 3.78Å; L720-F780 HydrophobicContact CD1-CE1 3.84Å; L720-F780 HydrophobicContact CD2-CD1 4.45Å; L720-F780 HydrophobicContact CG-CD1 3.81Å; L720-F780 HydrophobicContact CG-CE1 3.85Å; L720-F783 HydrophobicContact CD1-CD1 4.13Å; L720-F783 HydrophobicContact CD1-CE1 4.1Å; L720-I784 HydrophobicContact CD2-CD1 4.09Å; L720-I784 HydrophobicContact CD2-CG1 4.21Å; L720-F797 HydrophobicContact CD2-CD1 3.93Å; L720-F797 HydrophobicContact CD2-CE1 3.89Å
721	H	94.4	Very high	86.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.6	-179.5	178.3	96.6	0	0	0	110.6	A707 I708 V719 D737 Q739 V827 P832	A707-H721 WeakPolarHBondContact CA-O 3.29Å; I708-H721 HydrophobicContact CB-CB 4.21Å; I708-H721 PolarHBondContact N-O 3.03Å; I708-H721 PolarHBondContact O-N 3.39Å; V719-H721 HydrophobicContact CG1-CB 4.16Å; H721-D737 IonicContact CE1-OD1 3.32Å; H721-D737 PolarHBondContact CE1-OD1 3.03Å; H721-D737 VanDerWaalsContact CE1-OD1 3.24Å; H721-D737 IonicContact NE2-OD1 3.11Å; H721-D737 PolarHBondContact NE2-OD1 3.26Å; H721-Q739 HydrophobicContact CB-CG 3.97Å; H721-Q739 WeakPolarHBondContact ND1-CG 3.39Å; H721-Q739 PolarHBondContact ND1-NE2 3.4Å; H721-V827 HydrophobicContact CB-CB 4.16Å; H721-V827 HydrophobicContact CB-CG1 3.76Å; H721-P832 VanDerWaalsContact CE1-CG 3.49Å; H721-P832 WeakPolarHBondContact CE1-CG 3.32Å
722	F	94.6	Very high	85.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	110.5	172.6	-60.4	-65.8	0	0	0	109.4	L680 F687 I699 I704 A707 L724 V738 F740 F797	L680-F722 HydrophobicContact CD2-CE2 4.21Å; F687-F722 HydrophobicContact CD2-CE1 4.16Å; F687-F722 HydrophobicContact CD2-CE2 4.28Å; F687-F722 AromaticContact CD2-CZ 3.83Å; F687-F722 HydrophobicContact CD2-CZ 3.83Å; F687-F722 HydrophobicContact CE1-CZ 4.33Å; F687-F722 HydrophobicContact CE2-CD1 4.43Å; F687-F722 AromaticContact CE2-CE1 3.55Å; F687-F722 HydrophobicContact CE2-CE1 3.55Å; F687-F722 HydrophobicContact CE2-CE2 4.39Å; F687-F722 AromaticContact CE2-CZ 3.51Å; F687-F722 HydrophobicContact CE2-CZ 3.51Å; F687-F722 HydrophobicContact CG-CZ 4.36Å; F687-F722 HydrophobicContact CZ-CE1 4.01Å; F687-F722 AromaticContact CZ-CZ 3.8Å; F687-F722 HydrophobicContact CZ-CZ 3.8Å; I699-F722 HydrophobicContact CD1-CD2 4.34Å; I704-F722 HydrophobicContact CD1-CD1 3.74Å; I704-F722 HydrophobicContact CD1-CE1 4.08Å; I704-F722 HydrophobicContact CD1-CG 4.35Å; I704-F722 HydrophobicContact CG1-CD1 4.3Å; I704-F722 HydrophobicContact CG2-CD1 4.09Å; A707-F722 HydrophobicContact CB-CD1 3.85Å; A707-F722 HydrophobicContact CB-CE1 3.87Å; F722-L724 HydrophobicContact CB-CD2 4.5Å; F722-V738 PolarHBondContact N-O 3.37Å; F722-V738 PolarHBondContact O-N 3.3Å; F722-F740 AromaticContact CD2-CD2 3.74Å; F722-F740 HydrophobicContact CD2-CD2 3.74Å; F722-F740 AromaticContact CD2-CE2 3.59Å; F722-F740 HydrophobicContact CD2-CE2 3.59Å; F722-F740 AromaticContact CE2-CD2 3.54Å; F722-F740 HydrophobicContact CE2-CD2 3.54Å; F722-F740 AromaticContact CE2-CE2 3.6Å; F722-F740 HydrophobicContact CE2-CE2 3.6Å; F722-F797 AromaticContact CE1-CE1 3.71Å; F722-F797 HydrophobicContact CE1-CE1 3.71Å; F722-F797 HydrophobicContact CE1-CZ 4.07Å; F722-F797 AromaticContact CZ-CE1 3.98Å; F722-F797 HydrophobicContact CZ-CE1 3.98Å; F722-F797 HydrophobicContact CZ-CZ 4.26Å
723	H	93.3	Very high	85.3	Confident	24 Å²	24	50.6 Å²	50.6	11%	0.111	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.3	170.1	-175.8	67.6	0	0	0	108.8	K705 H706 D737 V834	K705-H723 WeakPolarHBondContact CA-O 3.18Å; K705-H723 WeakPolarHBondContact CB-O 3.48Å; K705-H723 PolarHBondContact N-O 3.27Å; H706-H723 HydrophobicContact CB-CB 4.08Å; H706-H723 AromaticContact CD2-CD2 3.87Å; H706-H723 PolarHBondContact N-O 3.35Å; H706-H723 PolarHBondContact O-N 3.11Å; H723-D737 IonicContact CE1-OD1 3.11Å; H723-D737 IonicContact CG-OD1 2.7Å; H723-D737 IonicContact ND1-OD1 3.88Å; H723-D737 PolarHBondContact ND1-OD1 3.48Å; H723-D737 IonicContact ND1-OD2 2.77Å; H723-V834 HydrophobicContact CB-CG1 4.16Å
724	L	91.3	Very high	85.4	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	149.4	-173.5	-55.5	173.5	0	0	0	112.6	I699 N703 I704 F722 N726 I728 T736 V738	I699-L724 HydrophobicContact CG2-CD2 3.67Å; N703-L724 CarbonylContact O-C 3.55Å; N703-L724 VanDerWaalsContact O-CA 3.27Å; N703-L724 WeakPolarHBondContact O-CA 3.29Å; I704-L724 HydrophobicContact CB-CD2 4.5Å; I704-L724 HydrophobicContact CG1-CD2 3.82Å; F722-L724 HydrophobicContact CB-CD2 4.5Å; L724-N726 WeakPolarHBondContact CB-O 3.45Å; L724-I728 HydrophobicContact CD1-CB 4.39Å; L724-I728 HydrophobicContact CD1-CD1 3.69Å; L724-I728 HydrophobicContact CD1-CG1 3.59Å; L724-I728 HydrophobicContact CD1-CG2 4.03Å; L724-T736 WeakPolarHBondContact CB-O 3.24Å; L724-T736 WeakPolarHBondContact CG-O 3.32Å; L724-T736 PolarHBondContact N-O 2.92Å; L724-T736 WeakPolarHBondContact O-CG2 3.34Å; L724-V738 HydrophobicContact CD1-CG2 4.14Å
725	K	88.3	Confident	86	Confident	125 Å²	125	52.1 Å²	52.1	54%	0.543	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-48.1	171.8	-62.4	178.3	-174.7	163.5	0	111	N702 N703 I704 K705	N702-K725 PolarHBondContact O-NZ 2.9Å; N703-K725 PolarHBondContact O-N 3.05Å; I704-K725 WeakPolarHBondContact O-CE 3.31Å; K705-K725 HydrophobicContact CB-CG 3.68Å; K705-K725 HydrophobicContact CD-CG 4.39Å; K705-K725 HydrophobicContact CG-CG 4.17Å
726	N	85.3	Confident	86.4	Confident	65 Å²	65	52.7 Å²	52.7	35%	0.348	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.1	175.8	-53.8	-75.3	0	0	0	109.8	V646 N703 L724 I728	V646-N726 HydrophobicContact CB-CB 4.5Å; N703-N726 PolarHBondContact ND2-O 2.73Å; N703-N726 VanDerWaalsContact OD1-CB 3.25Å; N703-N726 WeakPolarHBondContact OD1-CB 3.49Å; N703-N726 PolarHBondContact OD1-N 3.03Å; N703-N726 PolarHBondContact OD1-ND2 3.06Å; L724-N726 WeakPolarHBondContact CB-O 3.45Å; N726-I728 PolarHBondContact O-N 2.78Å
727	A	84.3	Confident	86.9	Confident	25 Å²	25	49.9 Å²	49.9	21%	0.207	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	131.3	175.4	0	0	0	0	0	110.7	R734 H735	A727-R734 HydrophobicContact CB-CB 4.03Å; A727-R734 HydrophobicContact CB-CG 4.26Å; A727-H735 CarbonylContact C-O 3.56Å; A727-H735 WeakPolarHBondContact CA-O 3.27Å
728	I	85.1	Confident	87	Confident	13 Å²	13	49 Å²	49	7%	0.067	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	149.1	175.2	57.6	173.1	0	0	0	110.7	Q648 V697 I699 L724 N726 F730 R734 H735 V738	Q648-I728 VanDerWaalsContact CD-CG2 3.45Å; Q648-I728 HydrophobicContact CG-CG2 4.4Å; V697-I728 HydrophobicContact CG1-CD1 4.18Å; I699-I728 HydrophobicContact CG1-CD1 4.08Å; L724-I728 HydrophobicContact CD1-CB 4.39Å; L724-I728 HydrophobicContact CD1-CD1 3.69Å; L724-I728 HydrophobicContact CD1-CG1 3.59Å; L724-I728 HydrophobicContact CD1-CG2 4.03Å; N726-I728 PolarHBondContact O-N 2.78Å; I728-F730 HydrophobicContact CD1-CD1 3.7Å; I728-F730 HydrophobicContact CD1-CE1 3.68Å; I728-F730 HydrophobicContact CG1-CD1 3.75Å; I728-F730 HydrophobicContact CG1-CE1 3.75Å; I728-R734 WeakPolarHBondContact O-CA 3.34Å; I728-H735 PolarHBondContact N-O 2.83Å; I728-H735 PolarHBondContact O-N 2.7Å; I728-V738 HydrophobicContact CD1-CG2 4.26Å
729	M	80.3	Confident	87.1	Confident	87 Å²	87	49 Å²	49	43%	0.429	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	114.1	175.8	-176.3	-175.8	-78.7	0	0	109.3	K642 I645	K642-M729 HydrophobicContact CG-CE 3.91Å; I645-M729 HydrophobicContact CD1-CB 4.22Å; I645-M729 HydrophobicContact CD1-CE 3.31Å; I645-M729 HydrophobicContact CD1-SD 4.35Å
730	F	81.6	Confident	87.2	Confident	16 Å²	16	49 Å²	49	7%	0.07	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.7	162.6	61	-89.8	0	0	0	108.5	I667 P669 I671 V697 I728 H735 V738	I667-F730 HydrophobicContact CD1-CE2 4.05Å; I667-F730 HydrophobicContact CD1-CZ 4.29Å; P669-F730 HydrophobicContact CG-CE2 4.36Å; P669-F730 HydrophobicContact CG-CZ 4.04Å; P669-F730 WeakPolarHBondContact O-CE2 3.43Å; I671-F730 HydrophobicContact CG1-CD2 3.98Å; I671-F730 HydrophobicContact CG1-CE2 4.4Å; V697-F730 HydrophobicContact CG1-CB 4.4Å; V697-F730 HydrophobicContact CG1-CD1 3.76Å; V697-F730 HydrophobicContact CG1-CD2 4.5Å; V697-F730 HydrophobicContact CG1-CE1 4.11Å; V697-F730 HydrophobicContact CG1-CG 3.98Å; V697-F730 HydrophobicContact CG2-CB 4.13Å; V697-F730 HydrophobicContact CG2-CD2 4.07Å; V697-F730 HydrophobicContact CG2-CG 4.05Å; I728-F730 HydrophobicContact CD1-CD1 3.7Å; I728-F730 HydrophobicContact CD1-CE1 3.68Å; I728-F730 HydrophobicContact CG1-CD1 3.75Å; I728-F730 HydrophobicContact CG1-CE1 3.75Å; F730-H735 HydrophobicContact CE1-CB 3.8Å; F730-H735 AromaticContact CE1-CD2 3.99Å; F730-H735 AromaticContact CE2-CD2 3.91Å; F730-H735 HydrophobicContact CZ-CB 3.98Å; F730-H735 AromaticContact CZ-CD2 3.76Å; F730-V738 HydrophobicContact CE1-CG2 3.73Å; F730-V738 HydrophobicContact CZ-CG1 4.29Å; F730-V738 HydrophobicContact CZ-CG2 3.89Å
731	G	76.6	Confident	87.2	Confident	45 Å²	45	49.2 Å²	49.2	46%	0.464	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	-129.6	-165.9	0	0	0	0	0	112.2
732	K	72.9	Confident	87	Confident	199 Å²	199	50 Å²	50	87%	0.865	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-6.6	-177.8	-70.8	-174	179.9	-179.8	0	114.7
733	R	78.8	Confident	86.6	Confident	179 Å²	179	53.3 Å²	53.3	68%	0.675	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	158.1	-175	-67.1	-176.6	-179.5	-177.6	1.7	109.7	H735	R733-H735 PolarHBondContact O-CD2 2.79Å
734	R	83.4	Confident	85.7	Confident	128 Å²	128	52.2 Å²	52.2	48%	0.483	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	136.7	169.6	68.7	-171.6	-174.7	-148.4	-0.4	109.5	A727 I728	A727-R734 HydrophobicContact CB-CB 4.03Å; A727-R734 HydrophobicContact CB-CG 4.26Å; I728-R734 WeakPolarHBondContact O-CA 3.34Å
735	H	86.3	Confident	84.4	Confident	34 Å²	34	53.8 Å²	53.8	16%	0.157	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.7	-175.7	-62.9	-59.9	0	0	0	109.8	P669 A727 I728 F730 R733	P669-H735 HydrophobicContact CG-CB 3.89Å; P669-H735 VanDerWaalsContact CG-CE1 3.45Å; P669-H735 WeakPolarHBondContact CG-CE1 3.48Å; P669-H735 WeakPolarHBondContact CG-ND1 3.37Å; A727-H735 CarbonylContact C-O 3.56Å; A727-H735 WeakPolarHBondContact CA-O 3.27Å; I728-H735 PolarHBondContact N-O 2.83Å; I728-H735 PolarHBondContact O-N 2.7Å; F730-H735 HydrophobicContact CE1-CB 3.8Å; F730-H735 AromaticContact CE1-CD2 3.99Å; F730-H735 AromaticContact CE2-CD2 3.91Å; F730-H735 HydrophobicContact CZ-CB 3.98Å; F730-H735 AromaticContact CZ-CD2 3.76Å; R733-H735 PolarHBondContact O-CD2 2.79Å
736	T	90	Very high	82.7	Confident	52 Å²	52	55.9 Å²	55.9	32%	0.319	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-40.8	174.4	-52.8	0	0	0	0	110.4	L724	L724-T736 WeakPolarHBondContact CB-O 3.24Å; L724-T736 WeakPolarHBondContact CG-O 3.32Å; L724-T736 PolarHBondContact N-O 2.92Å; L724-T736 WeakPolarHBondContact O-CG2 3.34Å
737	D	92.3	Very high	81.3	Confident	35 Å²	35	59.3 Å²	59.3	19%	0.187	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.9	-179.6	-69.8	-71	0	0	0	110.5	P669 H721 H723 P832	P669-D737 VanDerWaalsContact CD-O 3.24Å; P669-D737 WeakPolarHBondContact CD-O 3.39Å; H721-D737 IonicContact CE1-OD1 3.32Å; H721-D737 PolarHBondContact CE1-OD1 3.03Å; H721-D737 VanDerWaalsContact CE1-OD1 3.24Å; H721-D737 IonicContact NE2-OD1 3.11Å; H721-D737 PolarHBondContact NE2-OD1 3.26Å; H723-D737 IonicContact CE1-OD1 3.11Å; H723-D737 IonicContact CG-OD1 2.7Å; H723-D737 IonicContact ND1-OD1 3.88Å; H723-D737 PolarHBondContact ND1-OD1 3.48Å; H723-D737 IonicContact ND1-OD2 2.77Å; D737-P832 HydrophobicContact CB-CG 3.75Å
738	V	92.6	Very high	79.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.1	178	-172.5	0	0	0	0	109.5	I667 R668 I699 F722 L724 I728 F730 F740	I667-V738 HydrophobicContact CD1-CG1 4Å; I667-V738 HydrophobicContact CG1-CG1 3.99Å; R668-V738 CarbonylContact O-C 3.59Å; R668-V738 WeakPolarHBondContact O-CA 3.29Å; I699-V738 HydrophobicContact CD1-CB 4.35Å; I699-V738 HydrophobicContact CD1-CG1 4.06Å; F722-V738 PolarHBondContact N-O 3.37Å; F722-V738 PolarHBondContact O-N 3.3Å; L724-V738 HydrophobicContact CD1-CG2 4.14Å; I728-V738 HydrophobicContact CD1-CG2 4.26Å; F730-V738 HydrophobicContact CE1-CG2 3.73Å; F730-V738 HydrophobicContact CZ-CG1 4.29Å; F730-V738 HydrophobicContact CZ-CG2 3.89Å; V738-F740 HydrophobicContact CG1-CE2 4.09Å; V738-F740 HydrophobicContact CG1-CZ 3.94Å
739	Q	93.2	Very high	78	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.8	179.8	-68.4	-177.7	-24.7	0	0	111.1	I667 R668 V719 L720 H721 V827 W830	I667-Q739 CarbonylContact C-O 3.6Å; I667-Q739 WeakPolarHBondContact CA-O 3.35Å; R668-Q739 HydrophobicContact CB-CB 4.22Å; R668-Q739 PolarHBondContact N-O 2.74Å; R668-Q739 PolarHBondContact O-N 3.01Å; V719-Q739 HydrophobicContact CG2-CB 4.4Å; L720-Q739 CarbonylContact O-C 3.59Å; L720-Q739 WeakPolarHBondContact O-CA 3.19Å; H721-Q739 HydrophobicContact CB-CG 3.97Å; H721-Q739 WeakPolarHBondContact ND1-CG 3.39Å; H721-Q739 PolarHBondContact ND1-NE2 3.4Å; Q739-V827 PolarHBondContact NE2-O 3.45Å; Q739-V827 VanDerWaalsContact NE2-O 3.12Å; Q739-W830 HydrophobicContact CG-CZ3 4.39Å
740	F	93.8	Very high	76.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.9	166.9	-60	-74.8	0	0	0	108.9	L665 Y666 I667 L680 F689 I699 L720 F722 V738	L665-F740 HydrophobicContact CD1-CB 4.24Å; L665-F740 HydrophobicContact CD2-CB 4.47Å; Y666-F740 CarbonylContact O-C 3.57Å; Y666-F740 VanDerWaalsContact O-CA 3.25Å; Y666-F740 WeakPolarHBondContact O-CA 3.26Å; I667-F740 HydrophobicContact CB-CD1 4.08Å; I667-F740 HydrophobicContact CB-CE1 3.9Å; I667-F740 HydrophobicContact CD1-CE1 3.74Å; I667-F740 HydrophobicContact CD1-CZ 4.15Å; I667-F740 HydrophobicContact CG1-CD1 4.17Å; I667-F740 HydrophobicContact CG1-CE1 3.65Å; I667-F740 HydrophobicContact CG1-CZ 4.32Å; L680-F740 HydrophobicContact CD1-CD1 4.44Å; L680-F740 HydrophobicContact CD1-CD2 4.14Å; L680-F740 HydrophobicContact CD1-CE1 4.11Å; L680-F740 HydrophobicContact CD1-CE2 3.74Å; L680-F740 HydrophobicContact CD1-CG 4.44Å; L680-F740 HydrophobicContact CD1-CZ 3.73Å; L680-F740 HydrophobicContact CD2-CD2 3.85Å; L680-F740 HydrophobicContact CD2-CE2 4.23Å; L680-F740 HydrophobicContact CD2-CG 4.14Å; F689-F740 HydrophobicContact CB-CE1 3.51Å; F689-F740 HydrophobicContact CB-CZ 3.81Å; F689-F740 HydrophobicContact CD1-CE1 4.3Å; F689-F740 AromaticContact CD2-CD1 3.67Å; F689-F740 HydrophobicContact CD2-CD1 3.67Å; F689-F740 AromaticContact CD2-CE1 3.37Å; F689-F740 HydrophobicContact CD2-CE1 3.37Å; F689-F740 HydrophobicContact CD2-CZ 4.42Å; F689-F740 HydrophobicContact CE2-CD1 4.06Å; F689-F740 HydrophobicContact CE2-CE1 4.09Å; F689-F740 HydrophobicContact CG-CD1 4.24Å; F689-F740 AromaticContact CG-CE1 3.48Å; F689-F740 HydrophobicContact CG-CE1 3.48Å; F689-F740 VanDerWaalsContact CG-CE1 3.48Å; F689-F740 HydrophobicContact CG-CZ 4.28Å; I699-F740 HydrophobicContact CD1-CE2 3.71Å; I699-F740 HydrophobicContact CD1-CZ 3.77Å; L720-F740 HydrophobicContact CB-CB 4.42Å; L720-F740 PolarHBondContact N-O 3.09Å; L720-F740 PolarHBondContact O-N 2.95Å; F722-F740 AromaticContact CD2-CD2 3.74Å; F722-F740 HydrophobicContact CD2-CD2 3.74Å; F722-F740 AromaticContact CD2-CE2 3.59Å; F722-F740 HydrophobicContact CD2-CE2 3.59Å; F722-F740 AromaticContact CE2-CD2 3.54Å; F722-F740 HydrophobicContact CE2-CD2 3.54Å; F722-F740 AromaticContact CE2-CE2 3.6Å; F722-F740 HydrophobicContact CE2-CE2 3.6Å; V738-F740 HydrophobicContact CG1-CE2 4.09Å; V738-F740 HydrophobicContact CG1-CZ 3.94Å
741	Y	92.3	Very high	74.9	Confident	4 Å²	4	78.2 Å²	78.2	2%	0.016	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.6	-171.1	77.2	-83.6	0	0	0	113.1	Y666 R668 I717 I718 V719 E743	Y666-Y741 HydrophobicContact CD2-CE2 4.28Å; Y666-Y741 PolarHBondContact N-O 3.23Å; Y666-Y741 PolarHBondContact O-N 2.94Å; R668-Y741 HydrophobicContact CB-CD1 4.33Å; R668-Y741 HydrophobicContact CB-CE1 4.02Å; R668-Y741 VanDerWaalsContact NH2-CZ 3.29Å; R668-Y741 PolarHBondContact NH2-OH 3.1Å; I717-Y741 HydrophobicContact CB-CD2 4.38Å; I717-Y741 HydrophobicContact CG2-CD2 4.06Å; I717-Y741 HydrophobicContact CG2-CE2 4.48Å; I718-Y741 WeakPolarHBondContact O-CA 3.47Å; I718-Y741 WeakPolarHBondContact O-CB 3.03Å; V719-Y741 VanDerWaalsContact CG2-CB 3.47Å; Y741-E743 HydrophobicContact CD2-CG 4.19Å; Y741-E743 HydrophobicContact CE2-CG 3.79Å; Y741-E743 WeakPolarHBondContact CE2-OE1 3.3Å
742	T	90.4	Very high	73.6	Confident	17 Å²	17	78.2 Å²	78.2	10%	0.104	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136	171.6	-57	0	0	0	0	108.3	D664 I717 I718 L776	D664-T742 PolarHBondContact O-OG1 2.85Å; D664-T742 VanDerWaalsContact O-OG1 3.05Å; I717-T742 WeakPolarHBondContact CA-O 3.45Å; I718-T742 PolarHBondContact N-O 2.89Å; I718-T742 PolarHBondContact O-N 3.24Å; T742-L776 HydrophobicContact CG2-CD1 4.3Å; T742-L776 HydrophobicContact CG2-CD2 4.43Å
743	E	86.4	Confident	72.6	Confident	70 Å²	70	77.5 Å²	77.5	33%	0.327	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.8	178.9	-69.8	165.8	-177.9	0	0	109.4	R675 I717 Y741	R675-E743 IonicContact CZ-OE1 3.81Å; R675-E743 IonicContact CZ-OE2 3.79Å; R675-E743 IonicContact NH1-OE1 3.59Å; R675-E743 PolarHBondContact NH1-OE1 3.46Å; R675-E743 IonicContact NH1-OE2 2.66Å; R675-E743 PolarHBondContact NH1-OE2 3.29Å; R675-E743 IonicContact NH2-OE2 3.86Å; R675-E743 PolarHBondContact NH2-OE2 3.5Å; I717-E743 HydrophobicContact CG2-CG 3.95Å; Y741-E743 HydrophobicContact CD2-CG 4.19Å; Y741-E743 HydrophobicContact CE2-CG 3.79Å; Y741-E743 WeakPolarHBondContact CE2-OE1 3.3Å
744	V	75.5	Confident	71.2	Confident	1 Å²	1	78 Å²	78	1%	0.006	41%	0.411	C	S	.	.			trans	-121.5	89.6	-175.8	-169.2	0	0	0	0	107.9	C712 M716 I718 R773 L776	C712-V744 HydrophobicContact CB-CB 4.34Å; C712-V744 HydrophobicContact CB-CG2 3.94Å; M716-V744 PolarHBondContact O-N 3.04Å; I718-V744 HydrophobicContact CG2-CG2 4.18Å; V744-R773 HydrophobicContact CG1-CB 4.36Å; V744-R773 HydrophobicContact CG1-CG 3.55Å; V744-L776 HydrophobicContact CG1-CD1 4.45Å; V744-L776 HydrophobicContact CG2-CD1 3.74Å
745	G	62.4	Low	69.6	Low	35 Å²	35	80.6 Å²	80.6	36%	0.361	43%	0.429	S	S	.	.			trans	126.5	132	-178.5	0	0	0	0	0	111.8
746	E	54	Low	67.9	Low	169 Å²	169	87 Å²	87	79%	0.79	46%	0.458	S	S	*	.			trans	-106.2	118.5	170.9	-166.3	163.6	-153.9	0	0	106.6	T748	E746-T748 HydrophobicContact CB-CG2 4.39Å; E746-T748 HydrophobicContact CG-CG2 4.35Å; E746-T748 PolarHBondContact O-N 3.49Å
747	I	54.5	Low	66	Low	136 Å²	136	92 Å²	92	70%	0.697	48%	0.48	S	S	*	.			trans	-69	92.4	167.1	-58.3	168.9	0	0	0	104.9	M716 T749	M716-I747 HydrophobicContact CE-CG1 4.27Å; I747-T749 VanDerWaalsContact C-N 3.25Å; I747-T749 HydrophobicContact CG2-CG2 3.86Å; I747-T749 PolarHBondContact O-N 3.25Å
748	T	53.9	Low	64.3	Low	113 Å²	113	95.9 Å²	95.9	69%	0.693	50%	0.497	S	S	*	.			trans	-69.9	87.7	175.9	54.3	0	0	0	0	107.8	E746 D750	E746-T748 HydrophobicContact CB-CG2 4.39Å; E746-T748 HydrophobicContact CG-CG2 4.35Å; E746-T748 PolarHBondContact O-N 3.49Å; T748-D750 PolarHBondContact O-N 3.04Å
749	T	47.8	Very low	62.8	Low	112 Å²	112	102.9 Å²	102.9	69%	0.687	53%	0.534	S	S	*	.			trans	-75.6	48.9	170.7	54.6	0	0	0	0	110.9	I747 L751	I747-T749 VanDerWaalsContact C-N 3.25Å; I747-T749 HydrophobicContact CG2-CG2 3.86Å; I747-T749 PolarHBondContact O-N 3.25Å; T749-L751 PolarHBondContact O-N 3.21Å
750	D	46.3	Very low	61	Low	140 Å²	140	110.6 Å²	110.6	75%	0.749	56%	0.563	S	S	*	*			trans	-92.2	65.6	167.9	-144.5	-6.5	0	0	0	108.4	T748 G752	T748-D750 PolarHBondContact O-N 3.04Å; D750-G752 PolarHBondContact O-N 3.37Å
751	L	50	Low	59.7	Low	174 Å²	174	115.3 Å²	115.3	91%	0.911	59%	0.588	S	S	*	*			trans	-68.1	19.1	176.4	-90.5	154.6	0	0	0	112.8	T749	T749-L751 PolarHBondContact O-N 3.21Å
752	G	48.8	Very low	58.5	Low	45 Å²	45	120.1 Å²	120.1	46%	0.464	61%	0.614	S	S	.	*	S	Bend	trans	-141.1	36.5	-158.6	0	0	0	0	0	115.5	D750	D750-G752 PolarHBondContact O-N 3.37Å
753	K	52.6	Low	57.5	Low	184 Å²	184	123.7 Å²	123.7	80%	0.8	63%	0.632	S	S	*	*	S	Bend	trans	165.1	116.3	149.5	-90.4	147.9	-163.8	175.8	0	108.9
754	H	49.4	Very low	57	Low	188 Å²	188	125.9 Å²	125.9	87%	0.87	64%	0.638	S	S	*	*			trans	151	73.1	146.3	-77.3	-60.2	0	0	0	109.3	H756	H754-H756 PolarHBondContact O-N 3.22Å
755	Q	50.2	Low	56.9	Low	184 Å²	184	128.6 Å²	128.6	86%	0.86	66%	0.661	S	S	*	*			trans	-75.8	119.3	158	-88.8	-177.7	-10.5	0	0	108
756	H	49.9	Very low	57.5	Low	168 Å²	168	131.3 Å²	131.3	78%	0.778	66%	0.664	S	S	*	*	S	Bend	trans	90.2	111	175.4	-60.5	-68.8	0	0	0	117.6	H754	H754-H756 PolarHBondContact O-N 3.22Å
757	M	50.4	Low	58.6	Low	157 Å²	157	127.8 Å²	127.8	77%	0.773	65%	0.648	S	S	*	*				110.3	86.1	129.1	-158.6	147.4	58.8	0	0	115.8
758	H	56.7	Low	59.6	Low	117 Å²	117	127.1 Å²	127.1	54%	0.542	64%	0.643	S	S	.	*				178.5	111.2	114.4	-85.1	-55.3	0	0	0	111.4	R760 D761 D762	H758-R760 HydrophobicContact CB-CB 4.35Å; H758-R760 PolarHBondContact O-N 3.25Å; H758-D761 HydrophobicContact CB-CB 4.4Å; H758-D761 PolarHBondContact O-N 3.42Å; H758-D762 PolarHBondContact O-N 2.88Å
759	D	60.4	Low	60.7	Low	146 Å²	146	125.2 Å²	125.2	78%	0.781	63%	0.626	S	S	*	*	H	α-helix	trans	-51.4	-19.6	166.4	-64.7	-19.2	0	0	0	112.6	L763	D759-L763 VanDerWaalsContact O-CB 3.29Å; D759-L763 WeakPolarHBondContact O-CB 3.24Å; D759-L763 PolarHBondContact O-N 3.4Å
760	R	56	Low	62.2	Low	162 Å²	162	127.2 Å²	127.2	61%	0.611	62%	0.621	S	S	*	*	H	α-helix	trans	-72.9	-36.4	177.5	-163.6	179.4	171.2	-170.9	-8.1	113	H758 Y764	H758-R760 HydrophobicContact CB-CB 4.35Å; H758-R760 PolarHBondContact O-N 3.25Å; R760-Y764 HydrophobicContact CG-CD2 4.1Å; R760-Y764 HydrophobicContact CG-CE2 3.81Å; R760-Y764 PolarHBondContact NH2-OH 3.36Å; R760-Y764 WeakPolarHBondContact O-CD2 3.42Å; R760-Y764 PolarHBondContact O-N 3.36Å
761	D	65.3	Low	63.9	Low	99 Å²	99	126.3 Å²	126.3	53%	0.529	61%	0.613	S	S	.	*	H	α-helix	trans	-76.9	-35.4	178.9	-72.2	-11.9	0	0	0	110.6	H758 Y764 A765	H758-D761 HydrophobicContact CB-CB 4.4Å; H758-D761 PolarHBondContact O-N 3.42Å; D761-Y764 PolarHBondContact O-N 2.96Å; D761-A765 WeakPolarHBondContact O-CB 3.32Å; D761-A765 PolarHBondContact O-N 3.38Å
762	D	68.4	Low	65.3	Low	105 Å²	105	122.9 Å²	122.9	56%	0.561	59%	0.593	S	S	*	*	H	α-helix	trans	-65.3	-41.7	171.6	-64.7	-24.6	0	0	0	111.1	H758 Y764 A765 E766	H758-D762 PolarHBondContact O-N 2.88Å; D762-Y764 PolarHBondContact O-N 3.47Å; D762-A765 PolarHBondContact O-N 3.27Å; D762-E766 PolarHBondContact O-N 2.89Å
763	L	69.1	Low	66.9	Low	93 Å²	93	123.9 Å²	123.9	49%	0.487	58%	0.583	S	S	.	*	H	α-helix	trans	-64.5	-37.1	174.2	-160.5	102.7	0	0	0	112.5	D759 Q767	D759-L763 VanDerWaalsContact O-CB 3.29Å; D759-L763 WeakPolarHBondContact O-CB 3.24Å; D759-L763 PolarHBondContact O-N 3.4Å; L763-Q767 WeakPolarHBondContact O-CB 3.45Å; L763-Q767 VanDerWaalsContact O-CG 3.3Å; L763-Q767 WeakPolarHBondContact O-CG 3.28Å; L763-Q767 PolarHBondContact O-N 3.47Å
764	Y	74.5	Confident	68.5	Low	115 Å²	115	121.6 Å²	121.6	45%	0.451	58%	0.575	S	S	.	*	H	α-helix	trans	-68.5	-38.2	173.9	-84.9	-62.3	0	0	0	111.9	R760 D761 D762 Q767 M768	R760-Y764 HydrophobicContact CG-CD2 4.1Å; R760-Y764 HydrophobicContact CG-CE2 3.81Å; R760-Y764 PolarHBondContact NH2-OH 3.36Å; R760-Y764 WeakPolarHBondContact O-CD2 3.42Å; R760-Y764 PolarHBondContact O-N 3.36Å; D761-Y764 PolarHBondContact O-N 2.96Å; D762-Y764 PolarHBondContact O-N 3.47Å; Y764-Q767 PolarHBondContact O-N 2.88Å; Y764-M768 WeakPolarHBondContact O-CB 3.21Å; Y764-M768 VanDerWaalsContact O-CG 3.24Å; Y764-M768 WeakPolarHBondContact O-CG 3.3Å; Y764-M768 PolarHBondContact O-N 2.9Å
765	A	74.2	Confident	70.3	Confident	59 Å²	59	119.9 Å²	119.9	49%	0.488	57%	0.565	S	S	.	*	H	α-helix	trans	-64.1	-44.7	174.9	0	0	0	0	0	111.3	D761 D762 Q767 M768 E769	D761-A765 WeakPolarHBondContact O-CB 3.32Å; D761-A765 PolarHBondContact O-N 3.38Å; D762-A765 PolarHBondContact O-N 3.27Å; A765-Q767 PolarHBondContact O-N 3.12Å; A765-M768 PolarHBondContact O-N 3.44Å; A765-E769 WeakPolarHBondContact O-CB 3Å; A765-E769 PolarHBondContact O-N 3.05Å
766	E	75.4	Confident	72	Confident	92 Å²	92	112.8 Å²	112.8	43%	0.43	53%	0.533	S	S	.	.	H	α-helix	trans	-61.6	-40.9	173.7	-75.6	-171.2	-173.1	0	0	112.5	D762 E769 R770	D762-E766 PolarHBondContact O-N 2.89Å; E766-E769 PolarHBondContact O-N 3.34Å; E766-R770 WeakPolarHBondContact O-CB 3.49Å; E766-R770 WeakPolarHBondContact O-CG 3.49Å; E766-R770 PolarHBondContact O-N 3.45Å; E766-R770 IonicContact OE2-NH2 2.76Å; E766-R770 PolarHBondContact OE2-NH2 2.97Å
767	Q	77.6	Confident	73.8	Confident	95 Å²	95	107.2 Å²	107.2	44%	0.444	51%	0.506	S	S	.	.	H	α-helix	trans	-65	-44	176.1	-79.2	179.1	-0.8	0	0	112	L763 Y764 A765 E769 R770 E771	L763-Q767 WeakPolarHBondContact O-CB 3.45Å; L763-Q767 VanDerWaalsContact O-CG 3.3Å; L763-Q767 WeakPolarHBondContact O-CG 3.28Å; L763-Q767 PolarHBondContact O-N 3.47Å; Y764-Q767 PolarHBondContact O-N 2.88Å; A765-Q767 PolarHBondContact O-N 3.12Å; Q767-E769 VanDerWaalsContact C-N 3.3Å; Q767-E769 PolarHBondContact O-N 3.45Å; Q767-R770 PolarHBondContact O-N 2.88Å; Q767-E771 WeakPolarHBondContact O-CB 3.27Å; Q767-E771 PolarHBondContact O-N 3.39Å
768	M	74.2	Confident	75.6	Confident	121 Å²	121	102.1 Å²	102.1	60%	0.596	49%	0.486	S	S	*	.	H	α-helix	trans	-63	-37.9	175.9	-75.7	-66.4	-58.9	0	0	111.8	Y764 A765 M772	Y764-M768 WeakPolarHBondContact O-CB 3.21Å; Y764-M768 VanDerWaalsContact O-CG 3.24Å; Y764-M768 WeakPolarHBondContact O-CG 3.3Å; Y764-M768 PolarHBondContact O-N 2.9Å; A765-M768 PolarHBondContact O-N 3.44Å; M768-M772 VanDerWaalsContact O-CB 3.29Å; M768-M772 WeakPolarHBondContact O-CB 3.18Å; M768-M772 PolarHBondContact O-N 2.84Å
769	E	77.2	Confident	77.2	Confident	73 Å²	73	98.6 Å²	98.6	34%	0.341	48%	0.477	S	S	.	.	H	α-helix	trans	-65.9	-47.1	174.6	-171.1	-180	171.6	0	0	111.2	A765 E766 Q767 E771 M772 R773	A765-E769 WeakPolarHBondContact O-CB 3Å; A765-E769 PolarHBondContact O-N 3.05Å; E766-E769 PolarHBondContact O-N 3.34Å; Q767-E769 VanDerWaalsContact C-N 3.3Å; Q767-E769 PolarHBondContact O-N 3.45Å; E769-E771 PolarHBondContact O-N 2.93Å; E769-M772 PolarHBondContact O-N 3.38Å; E769-R773 WeakPolarHBondContact O-CG 3.42Å; E769-R773 PolarHBondContact O-N 2.84Å; E769-R773 IonicContact OE1-CZ 2.67Å; E769-R773 IonicContact OE1-NE 3.8Å; E769-R773 IonicContact OE1-NH1 2.79Å; E769-R773 PolarHBondContact OE1-NH1 3.1Å; E769-R773 IonicContact OE1-NH2 2.63Å; E769-R773 PolarHBondContact OE1-NH2 3.41Å
770	R	78.6	Confident	78.6	Confident	154 Å²	154	91.7 Å²	91.7	58%	0.581	44%	0.44	S	S	*	.	H	α-helix	trans	-59.8	-43.6	175	-75.1	-178.1	-172.7	131.6	14.9	112.1	E766 Q767 R773 H774	E766-R770 WeakPolarHBondContact O-CB 3.49Å; E766-R770 WeakPolarHBondContact O-CG 3.49Å; E766-R770 PolarHBondContact O-N 3.45Å; E766-R770 IonicContact OE2-NH2 2.76Å; E766-R770 PolarHBondContact OE2-NH2 2.97Å; Q767-R770 PolarHBondContact O-N 2.88Å; R770-R773 PolarHBondContact O-N 3.44Å; R770-H774 WeakPolarHBondContact O-CB 3.43Å; R770-H774 PolarHBondContact O-N 2.92Å
771	E	82.9	Confident	80.2	Confident	122 Å²	122	88.9 Å²	88.9	57%	0.57	43%	0.432	S	S	*	.	H	α-helix	trans	-63.6	-42.5	177	-168.6	-175.8	166.9	0	0	111	Q767 E769 H774 K775	Q767-E771 WeakPolarHBondContact O-CB 3.27Å; Q767-E771 PolarHBondContact O-N 3.39Å; E769-E771 PolarHBondContact O-N 2.93Å; E771-H774 PolarHBondContact O-N 3.44Å; E771-K775 VanDerWaalsContact O-CB 3.23Å; E771-K775 WeakPolarHBondContact O-CB 3.13Å; E771-K775 PolarHBondContact O-N 2.9Å
772	M	79.8	Confident	81.4	Confident	102 Å²	102	87.6 Å²	87.6	50%	0.502	43%	0.426	S	S	.	.	H	α-helix	trans	-63.5	-44.5	175.5	-174.7	173.7	178.6	0	0	111.9	M768 E769 K775 L776	M768-M772 VanDerWaalsContact O-CB 3.29Å; M768-M772 WeakPolarHBondContact O-CB 3.18Å; M768-M772 PolarHBondContact O-N 2.84Å; E769-M772 PolarHBondContact O-N 3.38Å; M772-K775 PolarHBondContact O-N 2.92Å; M772-L776 HydrophobicContact CE-CD1 4.21Å; M772-L776 HydrophobicContact CG-CD1 4.18Å; M772-L776 WeakPolarHBondContact O-CB 3.19Å; M772-L776 WeakPolarHBondContact O-CG 3.41Å; M772-L776 PolarHBondContact O-N 2.89Å
773	R	83.1	Confident	82.5	Confident	66 Å²	66	83 Å²	83	25%	0.249	40%	0.4	C	S	.	.	H	α-helix	trans	-57.4	-50.5	174.5	-62.3	-134.5	167.6	99.6	-2.5	110.7	V744 E769 R770 K775 L776 K777	V744-R773 HydrophobicContact CG1-CB 4.36Å; V744-R773 HydrophobicContact CG1-CG 3.55Å; E769-R773 WeakPolarHBondContact O-CG 3.42Å; E769-R773 PolarHBondContact O-N 2.84Å; E769-R773 IonicContact OE1-CZ 2.67Å; E769-R773 IonicContact OE1-NE 3.8Å; E769-R773 IonicContact OE1-NH1 2.79Å; E769-R773 PolarHBondContact OE1-NH1 3.1Å; E769-R773 IonicContact OE1-NH2 2.63Å; E769-R773 PolarHBondContact OE1-NH2 3.41Å; R770-R773 PolarHBondContact O-N 3.44Å; R773-K775 PolarHBondContact O-N 3.12Å; R773-L776 PolarHBondContact O-N 3.12Å; R773-K777 VanDerWaalsContact O-CB 3.32Å; R773-K777 WeakPolarHBondContact O-CB 3.18Å; R773-K777 PolarHBondContact O-N 2.66Å
774	H	85.4	Confident	83.5	Confident	136 Å²	136	79.1 Å²	79.1	63%	0.63	38%	0.38	S	S	*	.	H	α-helix	trans	-63	-43	-178.7	-173.7	-92.9	0	0	0	111.8	R770 E771 K777 S778	R770-H774 WeakPolarHBondContact O-CB 3.43Å; R770-H774 PolarHBondContact O-N 2.92Å; E771-H774 PolarHBondContact O-N 3.44Å; H774-K777 PolarHBondContact O-N 3.48Å; H774-S778 WeakPolarHBondContact O-CB 3.15Å; H774-S778 PolarHBondContact O-N 3.4Å
775	K	86.5	Confident	84.2	Confident	151 Å²	151	78.7 Å²	78.7	66%	0.657	38%	0.382	S	S	*	.	H	α-helix	trans	-63.9	-42.5	177.9	-172.1	175.9	-175.9	174.5	0	112.4	E771 M772 R773 A779	E771-K775 VanDerWaalsContact O-CB 3.23Å; E771-K775 WeakPolarHBondContact O-CB 3.13Å; E771-K775 PolarHBondContact O-N 2.9Å; M772-K775 PolarHBondContact O-N 2.92Å; R773-K775 PolarHBondContact O-N 3.12Å; K775-A779 WeakPolarHBondContact O-CB 3.16Å; K775-A779 PolarHBondContact O-N 3.03Å
776	L	86.4	Confident	84.8	Confident	35 Å²	35	81.9 Å²	81.9	18%	0.183	39%	0.385	C	S	.	.	H	α-helix	trans	-66.9	-45.1	175.6	-73.4	173.9	0	0	0	111.5	T742 V744 M772 R773 S778 A779 F780	T742-L776 HydrophobicContact CG2-CD1 4.3Å; T742-L776 HydrophobicContact CG2-CD2 4.43Å; V744-L776 HydrophobicContact CG1-CD1 4.45Å; V744-L776 HydrophobicContact CG2-CD1 3.74Å; M772-L776 HydrophobicContact CE-CD1 4.21Å; M772-L776 HydrophobicContact CG-CD1 4.18Å; M772-L776 WeakPolarHBondContact O-CB 3.19Å; M772-L776 WeakPolarHBondContact O-CG 3.41Å; M772-L776 PolarHBondContact O-N 2.89Å; R773-L776 PolarHBondContact O-N 3.12Å; L776-S778 VanDerWaalsContact C-N 3.35Å; L776-S778 PolarHBondContact O-N 3.37Å; L776-A779 PolarHBondContact O-N 3.27Å; L776-A779 VanDerWaalsContact O-N 3.16Å; L776-F780 WeakPolarHBondContact O-CD2 3.41Å; L776-F780 PolarHBondContact O-N 3.24Å
777	K	86.9	Confident	85.3	Confident	51 Å²	51	77.5 Å²	77.5	22%	0.222	37%	0.365	C	S	.	.	H	α-helix	trans	-57.3	-47.1	175.8	-173	175.1	-172.5	167.4	0	111.5	D713 R773 H774 F780 K781	D713-K777 IonicContact OD1-NZ 3.21Å; D713-K777 PolarHBondContact OD1-NZ 3.35Å; D713-K777 IonicContact OD2-NZ 3.22Å; D713-K777 PolarHBondContact OD2-NZ 2.91Å; R773-K777 VanDerWaalsContact O-CB 3.32Å; R773-K777 WeakPolarHBondContact O-CB 3.18Å; R773-K777 PolarHBondContact O-N 2.66Å; H774-K777 PolarHBondContact O-N 3.48Å; K777-F780 PolarHBondContact O-N 3.13Å; K777-K781 WeakPolarHBondContact O-CB 3.41Å; K777-K781 WeakPolarHBondContact O-CG 3.38Å; K777-K781 PolarHBondContact O-N 3.25Å
778	S	89.6	Confident	85.7	Confident	51 Å²	51	75.2 Å²	75.2	36%	0.357	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-41	176.1	-177.8	0	0	0	0	112	H774 L776 F780 K781 N782	H774-S778 WeakPolarHBondContact O-CB 3.15Å; H774-S778 PolarHBondContact O-N 3.4Å; L776-S778 VanDerWaalsContact C-N 3.35Å; L776-S778 PolarHBondContact O-N 3.37Å; S778-F780 PolarHBondContact O-N 2.86Å; S778-K781 PolarHBondContact O-N 2.83Å; S778-N782 VanDerWaalsContact O-CB 3.25Å; S778-N782 WeakPolarHBondContact O-CB 3.32Å; S778-N782 PolarHBondContact O-N 2.95Å; S778-N782 PolarHBondContact O-ND2 3.14Å; S778-N782 PolarHBondContact OG-ND2 3.23Å
779	A	88.7	Confident	86.2	Confident	42 Å²	42	74.8 Å²	74.8	35%	0.347	36%	0.358	S	S	.	.	H	α-helix	trans	-63.8	-40.8	177.1	0	0	0	0	0	113	K775 L776 F783	K775-A779 WeakPolarHBondContact O-CB 3.16Å; K775-A779 PolarHBondContact O-N 3.03Å; L776-A779 PolarHBondContact O-N 3.27Å; L776-A779 VanDerWaalsContact O-N 3.16Å; A779-F783 WeakPolarHBondContact O-CB 3.46Å; A779-F783 PolarHBondContact O-N 3.19Å
780	F	90.6	Very high	86.4	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.009	36%	0.359	C	S	.	.	H	α-helix	trans	-70.2	-44.1	176.5	-87	-113.1	0	0	0	111.9	L662 L665 F709 I718 L720 L776 K777 S778 N782 F783 I784	L662-F780 HydrophobicContact CD1-CD2 4.15Å; L662-F780 HydrophobicContact CD1-CE2 4.26Å; L662-F780 HydrophobicContact CD2-CD1 3.73Å; L662-F780 HydrophobicContact CD2-CD2 3.99Å; L662-F780 HydrophobicContact CD2-CE1 3.62Å; L662-F780 HydrophobicContact CD2-CE2 3.88Å; L662-F780 HydrophobicContact CD2-CG 3.94Å; L662-F780 HydrophobicContact CD2-CZ 3.71Å; L662-F780 HydrophobicContact CG-CE2 4.38Å; L665-F780 HydrophobicContact CD2-CE1 4.07Å; L665-F780 HydrophobicContact CD2-CE2 4.29Å; L665-F780 HydrophobicContact CD2-CZ 3.45Å; L665-F780 VanDerWaalsContact CD2-CZ 3.45Å; F709-F780 HydrophobicContact CD2-CD1 4.35Å; F709-F780 HydrophobicContact CE2-CB 3.7Å; F709-F780 AromaticContact CE2-CD1 3.81Å; F709-F780 HydrophobicContact CE2-CD1 3.81Å; F709-F780 HydrophobicContact CE2-CG 4.12Å; F709-F780 HydrophobicContact CZ-CB 3.94Å; I718-F780 HydrophobicContact CD1-CB 3.78Å; I718-F780 HydrophobicContact CD1-CD1 3.96Å; I718-F780 HydrophobicContact CD1-CD2 3.7Å; I718-F780 HydrophobicContact CD1-CE1 4.42Å; I718-F780 HydrophobicContact CD1-CE2 4.18Å; I718-F780 HydrophobicContact CD1-CG 3.55Å; I718-F780 HydrophobicContact CG1-CD1 3.92Å; I718-F780 HydrophobicContact CG1-CD2 4.3Å; I718-F780 HydrophobicContact CG1-CE1 4.03Å; I718-F780 HydrophobicContact CG1-CE2 4.4Å; I718-F780 HydrophobicContact CG1-CG 4.04Å; I718-F780 HydrophobicContact CG1-CZ 4.25Å; I718-F780 HydrophobicContact CG2-CD2 4.34Å; I718-F780 HydrophobicContact CG2-CE1 4.25Å; I718-F780 HydrophobicContact CG2-CE2 3.73Å; I718-F780 HydrophobicContact CG2-CZ 3.66Å; L720-F780 HydrophobicContact CD1-CD1 3.78Å; L720-F780 HydrophobicContact CD1-CE1 3.84Å; L720-F780 HydrophobicContact CD2-CD1 4.45Å; L720-F780 HydrophobicContact CG-CD1 3.81Å; L720-F780 HydrophobicContact CG-CE1 3.85Å; L776-F780 WeakPolarHBondContact O-CD2 3.41Å; L776-F780 PolarHBondContact O-N 3.24Å; K777-F780 PolarHBondContact O-N 3.13Å; S778-F780 PolarHBondContact O-N 2.86Å; F780-N782 PolarHBondContact O-N 3.17Å; F780-F783 WeakPolarHBondContact O-CB 3.23Å; F780-F783 PolarHBondContact O-N 3.33Å; F780-F783 VanDerWaalsContact O-N 3.09Å; F780-I784 WeakPolarHBondContact O-CG1 3.35Å; F780-I784 PolarHBondContact O-N 3.33Å
781	K	89.6	Confident	86.3	Confident	103 Å²	103	67.9 Å²	67.9	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-58.4	-48.8	174.3	-76.7	-171.6	172.9	-166.5	0	111.9	F709 K777 S778 F783 I784 E785	F709-K781 HydrophobicContact CE1-CG 4.34Å; K777-K781 WeakPolarHBondContact O-CB 3.41Å; K777-K781 WeakPolarHBondContact O-CG 3.38Å; K777-K781 PolarHBondContact O-N 3.25Å; S778-K781 PolarHBondContact O-N 2.83Å; K781-F783 PolarHBondContact O-N 2.94Å; K781-I784 WeakPolarHBondContact O-CB 3.38Å; K781-I784 PolarHBondContact O-N 3.47Å; K781-I784 VanDerWaalsContact O-N 3.09Å; K781-E785 WeakPolarHBondContact O-CG 3.26Å; K781-E785 PolarHBondContact O-N 2.81Å
782	N	91.4	Very high	86.1	Confident	72 Å²	72	70.6 Å²	70.6	39%	0.385	35%	0.345	S	S	.	.	H	α-helix	trans	-59.7	-30.6	174.9	-75.5	-39	0	0	0	113	S778 F780 K786	S778-N782 VanDerWaalsContact O-CB 3.25Å; S778-N782 WeakPolarHBondContact O-CB 3.32Å; S778-N782 PolarHBondContact O-N 2.95Å; S778-N782 PolarHBondContact O-ND2 3.14Å; S778-N782 PolarHBondContact OG-ND2 3.23Å; F780-N782 PolarHBondContact O-N 3.17Å; N782-K786 WeakPolarHBondContact O-CB 3.43Å; N782-K786 WeakPolarHBondContact O-CD 3.21Å; N782-K786 WeakPolarHBondContact O-CG 3.42Å; N782-K786 PolarHBondContact O-N 2.98Å
783	F	90.6	Very high	85.8	Confident	7 Å²	7	71.9 Å²	71.9	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-72.8	-45.6	174.7	175.2	-97.3	0	0	0	111	P660 L662 L680 F687 L720 A779 F780 K781 K786 V787	P660-F783 HydrophobicContact CB-CD2 3.9Å; P660-F783 HydrophobicContact CB-CE2 3.84Å; L662-F783 HydrophobicContact CB-CD1 4.4Å; L662-F783 HydrophobicContact CB-CD2 3.76Å; L662-F783 HydrophobicContact CB-CE2 3.92Å; L662-F783 HydrophobicContact CB-CG 4.01Å; L662-F783 HydrophobicContact CB-CZ 4.32Å; L662-F783 HydrophobicContact CD1-CB 4.4Å; L662-F783 HydrophobicContact CD2-CB 4.45Å; L662-F783 HydrophobicContact CD2-CD1 4.07Å; L662-F783 HydrophobicContact CD2-CG 4.18Å; L680-F783 HydrophobicContact CD2-CE1 4.16Å; L680-F783 HydrophobicContact CD2-CZ 4.08Å; L680-F783 HydrophobicContact CG-CZ 4.29Å; F687-F783 HydrophobicContact CE1-CE1 4.5Å; F687-F783 HydrophobicContact CE1-CZ 4.35Å; L720-F783 HydrophobicContact CD1-CD1 4.13Å; L720-F783 HydrophobicContact CD1-CE1 4.1Å; A779-F783 WeakPolarHBondContact O-CB 3.46Å; A779-F783 PolarHBondContact O-N 3.19Å; F780-F783 WeakPolarHBondContact O-CB 3.23Å; F780-F783 PolarHBondContact O-N 3.33Å; F780-F783 VanDerWaalsContact O-N 3.09Å; K781-F783 PolarHBondContact O-N 2.94Å; F783-K786 PolarHBondContact O-N 3.1Å; F783-V787 HydrophobicContact CD1-CG2 4.19Å; F783-V787 HydrophobicContact CD2-CG2 4.45Å; F783-V787 HydrophobicContact CE1-CG2 3.81Å; F783-V787 HydrophobicContact CE2-CG2 4.11Å; F783-V787 HydrophobicContact CG-CG2 4.5Å; F783-V787 HydrophobicContact CZ-CG2 3.77Å; F783-V787 VanDerWaalsContact O-CG2 3.26Å; F783-V787 WeakPolarHBondContact O-CG2 3.29Å; F783-V787 PolarHBondContact O-N 2.85Å
784	I	89.7	Confident	85.4	Confident	13 Å²	13	77.1 Å²	77.1	7%	0.067	38%	0.377	C	S	.	.	H	α-helix	trans	-57.9	-53.1	177	-69.6	163.6	0	0	0	110.5	F709 L720 F780 K781 K786 V787 E788 F797	F709-I784 HydrophobicContact CB-CD1 3.77Å; F709-I784 HydrophobicContact CD1-CD1 3.51Å; F709-I784 HydrophobicContact CD2-CD1 3.67Å; F709-I784 HydrophobicContact CE1-CD1 3.95Å; F709-I784 HydrophobicContact CE2-CD1 4.09Å; F709-I784 HydrophobicContact CG-CD1 3.34Å; F709-I784 HydrophobicContact CZ-CD1 4.22Å; L720-I784 HydrophobicContact CD2-CD1 4.09Å; L720-I784 HydrophobicContact CD2-CG1 4.21Å; F780-I784 WeakPolarHBondContact O-CG1 3.35Å; F780-I784 PolarHBondContact O-N 3.33Å; K781-I784 WeakPolarHBondContact O-CB 3.38Å; K781-I784 PolarHBondContact O-N 3.47Å; K781-I784 VanDerWaalsContact O-N 3.09Å; I784-K786 VanDerWaalsContact C-N 3.26Å; I784-K786 PolarHBondContact O-N 2.77Å; I784-V787 CarbonylContact O-C 3.52Å; I784-V787 WeakPolarHBondContact O-CA 3.24Å; I784-V787 WeakPolarHBondContact O-CB 3.48Å; I784-V787 PolarHBondContact O-N 2.98Å; I784-E788 HydrophobicContact CG2-CG 4.22Å; I784-E788 WeakPolarHBondContact CG2-OE1 3.5Å; I784-E788 WeakPolarHBondContact O-CG 3.29Å; I784-E788 PolarHBondContact O-N 2.88Å; I784-F797 HydrophobicContact CB-CD2 4.43Å; I784-F797 HydrophobicContact CG1-CD1 4.39Å; I784-F797 HydrophobicContact CG1-CD2 4.35Å; I784-F797 HydrophobicContact CG1-CG 4.2Å; I784-F797 HydrophobicContact CG2-CB 3.92Å; I784-F797 HydrophobicContact CG2-CD2 3.66Å; I784-F797 HydrophobicContact CG2-CE2 4.39Å; I784-F797 HydrophobicContact CG2-CG 3.92Å
785	E	88.8	Confident	85.3	Confident	105 Å²	105	71.4 Å²	71.4	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-56.2	-40.7	179.3	-71.5	168.8	-165.2	0	0	112.1	K781 T789	K781-E785 WeakPolarHBondContact O-CG 3.26Å; K781-E785 PolarHBondContact O-N 2.81Å; E785-T789 WeakPolarHBondContact O-CB 3.44Å; E785-T789 PolarHBondContact O-N 2.74Å; E785-T789 PolarHBondContact O-OG1 2.94Å
786	K	87.6	Confident	85.2	Confident	127 Å²	127	70.7 Å²	70.7	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-70	-32.8	177.3	-75.6	176.7	-177.3	173.6	0	113	P660 N782 F783 I784 L790	P660-K786 HydrophobicContact CB-CB 3.97Å; P660-K786 HydrophobicContact CG-CB 3.83Å; N782-K786 WeakPolarHBondContact O-CB 3.43Å; N782-K786 WeakPolarHBondContact O-CD 3.21Å; N782-K786 WeakPolarHBondContact O-CG 3.42Å; N782-K786 PolarHBondContact O-N 2.98Å; F783-K786 PolarHBondContact O-N 3.1Å; I784-K786 VanDerWaalsContact C-N 3.26Å; I784-K786 PolarHBondContact O-N 2.77Å; K786-L790 WeakPolarHBondContact O-CB 3.49Å; K786-L790 PolarHBondContact O-N 3.49Å
787	V	86.8	Confident	85.3	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-71.5	-47	174.6	171.9	0	0	0	0	109.6	P660 A682 F687 F783 I784 T789 L790 T791 F797	P660-V787 HydrophobicContact CB-CG2 4.06Å; P660-V787 HydrophobicContact CG-CG2 4.34Å; A682-V787 HydrophobicContact CB-CG2 3.7Å; F687-V787 HydrophobicContact CE1-CG1 3.74Å; F687-V787 HydrophobicContact CE1-CG2 3.98Å; F687-V787 HydrophobicContact CZ-CG1 3.68Å; F783-V787 HydrophobicContact CD1-CG2 4.19Å; F783-V787 HydrophobicContact CD2-CG2 4.45Å; F783-V787 HydrophobicContact CE1-CG2 3.81Å; F783-V787 HydrophobicContact CE2-CG2 4.11Å; F783-V787 HydrophobicContact CG-CG2 4.5Å; F783-V787 HydrophobicContact CZ-CG2 3.77Å; F783-V787 VanDerWaalsContact O-CG2 3.26Å; F783-V787 WeakPolarHBondContact O-CG2 3.29Å; F783-V787 PolarHBondContact O-N 2.85Å; I784-V787 CarbonylContact O-C 3.52Å; I784-V787 WeakPolarHBondContact O-CA 3.24Å; I784-V787 WeakPolarHBondContact O-CB 3.48Å; I784-V787 PolarHBondContact O-N 2.98Å; V787-T789 VanDerWaalsContact C-N 3.29Å; V787-T789 PolarHBondContact O-N 3.01Å; V787-L790 CarbonylContact O-C 3.51Å; V787-L790 WeakPolarHBondContact O-CA 3.4Å; V787-L790 WeakPolarHBondContact O-CB 3.28Å; V787-L790 PolarHBondContact O-N 3.14Å; V787-T791 HydrophobicContact CG1-CG2 4.35Å; V787-T791 PolarHBondContact O-N 2.89Å; V787-T791 PolarHBondContact O-OG1 2.78Å; V787-F797 HydrophobicContact CB-CE2 4.23Å; V787-F797 HydrophobicContact CG1-CE2 3.79Å; V787-F797 HydrophobicContact CG1-CZ 4.19Å
788	E	85.5	Confident	85.5	Confident	47 Å²	47	68.6 Å²	68.6	22%	0.22	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-39.8	177.3	-72.4	172.5	162.5	0	0	111.5	I784 L790 T791 K792 E793 F797	I784-E788 HydrophobicContact CG2-CG 4.22Å; I784-E788 WeakPolarHBondContact CG2-OE1 3.5Å; I784-E788 WeakPolarHBondContact O-CG 3.29Å; I784-E788 PolarHBondContact O-N 2.88Å; E788-L790 VanDerWaalsContact C-N 3.34Å; E788-L790 PolarHBondContact O-N 3.37Å; E788-T791 WeakPolarHBondContact CA-OG1 3.49Å; E788-T791 CarbonylContact O-C 3.49Å; E788-T791 PolarHBondContact O-N 3.2Å; E788-T791 PolarHBondContact O-OG1 3.38Å; E788-K792 WeakPolarHBondContact O-CA 3.35Å; E788-K792 PolarHBondContact O-N 3.05Å; E788-E793 PolarHBondContact O-N 2.82Å; E788-F797 HydrophobicContact CG-CD2 4.14Å; E788-F797 PolarHBondContact OE1-N 3.11Å
789	T	84.6	Confident	85.5	Confident	111 Å²	111	69.5 Å²	69.5	68%	0.681	34%	0.344	S	S	*	.	H	α-helix	trans	-62.6	-39.3	171.9	-56.5	0	0	0	0	112	E785 V787	E785-T789 WeakPolarHBondContact O-CB 3.44Å; E785-T789 PolarHBondContact O-N 2.74Å; E785-T789 PolarHBondContact O-OG1 2.94Å; V787-T789 VanDerWaalsContact C-N 3.29Å; V787-T789 PolarHBondContact O-N 3.01Å
790	L	81.6	Confident	85.4	Confident	69 Å²	69	68 Å²	68	36%	0.361	33%	0.33	S	S	.	.	H	α-helix	trans	-71.3	-37.8	179.4	-174.4	70.1	0	0	0	111.7	A682 H683 K786 V787 E788	A682-L790 HydrophobicContact CB-CD2 4.31Å; H683-L790 WeakPolarHBondContact O-CD2 3.47Å; K786-L790 WeakPolarHBondContact O-CB 3.49Å; K786-L790 PolarHBondContact O-N 3.49Å; V787-L790 CarbonylContact O-C 3.51Å; V787-L790 WeakPolarHBondContact O-CA 3.4Å; V787-L790 WeakPolarHBondContact O-CB 3.28Å; V787-L790 PolarHBondContact O-N 3.14Å; E788-L790 VanDerWaalsContact C-N 3.34Å; E788-L790 PolarHBondContact O-N 3.37Å
791	T	76.8	Confident	85.2	Confident	13 Å²	13	72.4 Å²	72.4	8%	0.08	35%	0.349	C	S	.	.	H	α-helix	trans	-85.8	-8.2	179	54.5	0	0	0	0	113.3	Y701 V787 E788 E793 E794 L795	Y701-T791 HydrophobicContact CD1-CG2 4.48Å; Y701-T791 HydrophobicContact CD2-CG2 3.92Å; Y701-T791 HydrophobicContact CE1-CG2 4.08Å; Y701-T791 HydrophobicContact CE2-CG2 3.46Å; Y701-T791 VanDerWaalsContact CE2-CG2 3.46Å; Y701-T791 HydrophobicContact CG-CG2 4.43Å; V787-T791 HydrophobicContact CG1-CG2 4.35Å; V787-T791 PolarHBondContact O-N 2.89Å; V787-T791 PolarHBondContact O-OG1 2.78Å; E788-T791 WeakPolarHBondContact CA-OG1 3.49Å; E788-T791 CarbonylContact O-C 3.49Å; E788-T791 PolarHBondContact O-N 3.2Å; E788-T791 PolarHBondContact O-OG1 3.38Å; T791-E793 VanDerWaalsContact C-N 3.27Å; T791-E793 PolarHBondContact O-N 3.05Å; T791-E794 WeakPolarHBondContact O-CB 3.22Å; T791-E794 PolarHBondContact O-N 3.34Å; T791-L795 HydrophobicContact CG2-CB 4.32Å
792	K	77.3	Confident	84.9	Confident	180 Å²	180	71.8 Å²	71.8	78%	0.783	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	46	-173.2	-54.1	-179.1	179.3	-174.6	0	111.8	E788 E794	E788-K792 WeakPolarHBondContact O-CA 3.35Å; E788-K792 PolarHBondContact O-N 3.05Å; K792-E794 PolarHBondContact O-N 2.82Å; K792-E794 VanDerWaalsContact O-N 3.09Å
793	E	73.6	Confident	84.4	Confident	128 Å²	128	76.2 Å²	76.2	60%	0.598	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	15.6	-178.6	-57.9	-177.8	170.5	0	0	115.4	E788 T791 L795	E788-E793 PolarHBondContact O-N 2.82Å; T791-E793 VanDerWaalsContact C-N 3.27Å; T791-E793 PolarHBondContact O-N 3.05Å; E793-L795 PolarHBondContact O-N 3.5Å
794	E	75.8	Confident	84	Confident	177 Å²	177	80.4 Å²	80.4	83%	0.827	39%	0.39	S	S	*	.	S	Bend	trans	-66.1	-23.3	169.8	-76.5	-160.9	164.1	0	0	113.2	T791 K792	T791-E794 WeakPolarHBondContact O-CB 3.22Å; T791-E794 PolarHBondContact O-N 3.34Å; K792-E794 PolarHBondContact O-N 2.82Å; K792-E794 VanDerWaalsContact O-N 3.09Å
795	L	82.1	Confident	83.8	Confident	16 Å²	16	80.8 Å²	80.8	8%	0.084	40%	0.398	C	S	.	.	S	Bend	trans	-121.9	104.3	175.3	-176.7	74.9	0	0	0	108.2	F687 Y701 I704 A707 T791 E793 F797	F687-L795 HydrophobicContact CE2-CD2 3.57Å; F687-L795 HydrophobicContact CZ-CD2 3.66Å; Y701-L795 HydrophobicContact CD1-CD2 3.89Å; Y701-L795 HydrophobicContact CE1-CD2 4.14Å; I704-L795 HydrophobicContact CB-CD1 4.13Å; I704-L795 HydrophobicContact CD1-CD1 4.28Å; I704-L795 HydrophobicContact CD1-CD2 4.14Å; I704-L795 HydrophobicContact CG2-CD1 3.89Å; A707-L795 HydrophobicContact CB-CD1 3.9Å; A707-L795 HydrophobicContact CB-CD2 4.44Å; A707-L795 HydrophobicContact CB-CG 4.16Å; T791-L795 HydrophobicContact CG2-CB 4.32Å; E793-L795 PolarHBondContact O-N 3.5Å; L795-F797 HydrophobicContact CD2-CE2 4.26Å; L795-F797 HydrophobicContact CD2-CZ 4.25Å
796	E	84.7	Confident	83.8	Confident	135 Å²	135	76.3 Å²	76.3	63%	0.631	38%	0.376	S	S	*	.			trans	-88.8	139	175.5	-64.7	176.4	-171.8	0	0	110
797	F	89.6	Confident	84	Confident	17 Å²	17	75.7 Å²	75.7	8%	0.075	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	109.1	171.2	-73.8	-93.1	0	0	0	110.4	F687 A707 F709 L720 F722 I784 V787 E788 L795	F687-F797 AromaticContact CZ-CZ 3.88Å; F687-F797 HydrophobicContact CZ-CZ 3.88Å; A707-F797 HydrophobicContact CB-CD1 3.93Å; A707-F797 HydrophobicContact CB-CE1 4.01Å; A707-F797 HydrophobicContact CB-CG 4.43Å; A707-F797 WeakPolarHBondContact O-CA 3.49Å; F709-F797 HydrophobicContact CB-CB 4.37Å; L720-F797 HydrophobicContact CD2-CD1 3.93Å; L720-F797 HydrophobicContact CD2-CE1 3.89Å; F722-F797 AromaticContact CE1-CE1 3.71Å; F722-F797 HydrophobicContact CE1-CE1 3.71Å; F722-F797 HydrophobicContact CE1-CZ 4.07Å; F722-F797 AromaticContact CZ-CE1 3.98Å; F722-F797 HydrophobicContact CZ-CE1 3.98Å; F722-F797 HydrophobicContact CZ-CZ 4.26Å; I784-F797 HydrophobicContact CB-CD2 4.43Å; I784-F797 HydrophobicContact CG1-CD1 4.39Å; I784-F797 HydrophobicContact CG1-CD2 4.35Å; I784-F797 HydrophobicContact CG1-CG 4.2Å; I784-F797 HydrophobicContact CG2-CB 3.92Å; I784-F797 HydrophobicContact CG2-CD2 3.66Å; I784-F797 HydrophobicContact CG2-CE2 4.39Å; I784-F797 HydrophobicContact CG2-CG 3.92Å; V787-F797 HydrophobicContact CB-CE2 4.23Å; V787-F797 HydrophobicContact CG1-CE2 3.79Å; V787-F797 HydrophobicContact CG1-CZ 4.19Å; E788-F797 HydrophobicContact CG-CD2 4.14Å; E788-F797 PolarHBondContact OE1-N 3.11Å; L795-F797 HydrophobicContact CD2-CE2 4.26Å; L795-F797 HydrophobicContact CD2-CZ 4.25Å
798	E	89.9	Confident	84.1	Confident	25 Å²	25	75.7 Å²	75.7	12%	0.117	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.1	179.1	-60.9	-172.3	154.7	0	0	111.1	A707 I708 F709 T820 S822 S823	A707-E798 PolarHBondContact O-N 3.24Å; I708-E798 WeakPolarHBondContact CA-O 3.45Å; F709-E798 PolarHBondContact N-O 2.76Å; E798-T820 HydrophobicContact CB-CG2 4.19Å; E798-T820 PolarHBondContact OE2-OG1 2.93Å; E798-S822 VanDerWaalsContact CD-OG 3.3Å; E798-S822 VanDerWaalsContact OE1-CB 3.23Å; E798-S822 WeakPolarHBondContact OE1-CB 3.32Å; E798-S822 PolarHBondContact OE1-OG 3.22Å; E798-S822 PolarHBondContact OE2-OG 2.72Å; E798-S823 PolarHBondContact OE2-OG 3.43Å
799	V	89.6	Confident	84.4	Confident	71 Å²	71	73.7 Å²	73.7	43%	0.43	37%	0.367	S	S	.	.			trans	-105.8	126	173.9	-175.9	0	0	0	0	108.9	F709	F709-V799 HydrophobicContact CD1-CG2 4.19Å
800	P	87.6	Confident	84.5	Confident	9 Å²	9	69.4 Å²	69.4	6%	0.058	34%	0.341	C	S	.	.			trans	-68	140.5	179.1	12.2	-15.8	0	0	0	113.5	F709 R802 Q818 T820 I825	F709-P800 VanDerWaalsContact O-CD 3.26Å; F709-P800 WeakPolarHBondContact O-CD 3.23Å; P800-R802 PolarHBondContact O-N 3.39Å; P800-Q818 HydrophobicContact CB-CB 3.6Å; P800-Q818 HydrophobicContact CB-CG 4.49Å; P800-T820 HydrophobicContact CB-CG2 4.05Å; P800-I825 HydrophobicContact CB-CD1 4.05Å; P800-I825 HydrophobicContact CB-CG1 4.45Å; P800-I825 HydrophobicContact CG-CD1 3.99Å
801	F	86.6	Confident	84.6	Confident	96 Å²	96	71.6 Å²	71.6	42%	0.421	35%	0.345	S	S	.	.			trans	-84.2	100.5	174.4	-55	-58.6	0	0	0	109.7	D803 L804 P819	F801-D803 VanDerWaalsContact C-N 3.31Å; F801-D803 PolarHBondContact O-N 2.91Å; F801-L804 HydrophobicContact CB-CB 4.44Å; F801-L804 HydrophobicContact CB-CD1 4.32Å; F801-L804 PolarHBondContact O-N 3.34Å; F801-P819 WeakPolarHBondContact CD2-O 3.3Å; F801-P819 PolarHBondContact N-O 3.41Å
802	R	82.3	Confident	84.7	Confident	90 Å²	90	81.7 Å²	81.7	34%	0.34	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-66.3	-32.6	-177.8	-60.9	-169.9	76.1	-172.7	17.8	113.2	D713 E715 P800 L804 G805	D713-R802 PolarHBondContact O-NH1 2.65Å; D713-R802 PolarHBondContact O-NH2 3.34Å; D713-R802 VanDerWaalsContact O-NH2 3.08Å; E715-R802 IonicContact OE1-NH2 3.36Å; E715-R802 PolarHBondContact OE1-NH2 3.08Å; P800-R802 PolarHBondContact O-N 3.39Å; R802-L804 PolarHBondContact O-N 2.87Å; R802-G805 WeakPolarHBondContact O-CA 3.34Å; R802-G805 PolarHBondContact O-N 2.91Å
803	D	80.6	Confident	85.1	Confident	164 Å²	164	75.6 Å²	75.6	88%	0.877	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-66.3	-28	-176.9	-53.1	-25.9	0	0	0	112.7	F801 G805	F801-D803 VanDerWaalsContact C-N 3.31Å; F801-D803 PolarHBondContact O-N 2.91Å; D803-G805 VanDerWaalsContact C-N 3.33Å
804	L	82.3	Confident	85.8	Confident	95 Å²	95	73.2 Å²	73.2	50%	0.497	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-93	3.3	174.5	-61.8	176.5	0	0	0	112.2	F801 R802 P819	F801-L804 HydrophobicContact CB-CB 4.44Å; F801-L804 HydrophobicContact CB-CD1 4.32Å; F801-L804 PolarHBondContact O-N 3.34Å; R802-L804 PolarHBondContact O-N 2.87Å; L804-P819 HydrophobicContact CB-CG 3.45Å; L804-P819 VanDerWaalsContact CB-CG 3.45Å; L804-P819 HydrophobicContact CD1-CG 4.3Å; L804-P819 WeakPolarHBondContact O-CD 3.37Å
805	G	86.3	Confident	86.4	Confident	22 Å²	22	65 Å²	65	23%	0.227	32%	0.319	C	S	.	.			trans	-74.4	144.6	-179.2	0	0	0	0	0	112.4	R802 D803 L817	R802-G805 WeakPolarHBondContact O-CA 3.34Å; R802-G805 PolarHBondContact O-N 2.91Å; D803-G805 VanDerWaalsContact C-N 3.33Å; G805-L817 CarbonylContact C-O 3.55Å; G805-L817 WeakPolarHBondContact CA-O 3.39Å
806	F	89.9	Confident	86.8	Confident	10 Å²	10	66.7 Å²	66.7	4%	0.044	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.1	178.1	64.4	-89.6	0	0	0	111.1	L817 L824 I871 V874 I882	F806-L817 HydrophobicContact CE1-CB 4.38Å; F806-L817 HydrophobicContact CE2-CB 4.33Å; F806-L817 HydrophobicContact CE2-CD1 4.28Å; F806-L817 HydrophobicContact CE2-CD2 4.46Å; F806-L817 HydrophobicContact CZ-CB 4.19Å; F806-L817 HydrophobicContact CZ-CD2 4.33Å; F806-L817 PolarHBondContact N-O 3.36Å; F806-L817 PolarHBondContact O-N 3.45Å; F806-L824 HydrophobicContact CE1-CD1 4.1Å; F806-L824 HydrophobicContact CZ-CD1 4.47Å; F806-L824 HydrophobicContact CZ-CD2 4.21Å; F806-I871 HydrophobicContact CE2-CG2 4.49Å; F806-V874 HydrophobicContact CD2-CG1 3.85Å; F806-V874 HydrophobicContact CD2-CG2 4.34Å; F806-V874 HydrophobicContact CE2-CG1 4.2Å; F806-V874 HydrophobicContact CE2-CG2 4.07Å; F806-I882 HydrophobicContact CB-CD1 4.33Å; F806-I882 HydrophobicContact CD1-CD1 3.82Å; F806-I882 HydrophobicContact CD1-CG1 3.78Å; F806-I882 HydrophobicContact CD2-CD1 3.72Å; F806-I882 HydrophobicContact CE1-CD1 3.97Å; F806-I882 HydrophobicContact CE1-CG1 3.94Å; F806-I882 HydrophobicContact CE2-CD1 3.87Å; F806-I882 HydrophobicContact CG-CD1 3.69Å; F806-I882 HydrophobicContact CG-CG1 4.11Å; F806-I882 HydrophobicContact CZ-CD1 3.99Å; F806-I882 HydrophobicContact CZ-CG1 4.4Å
807	Q	90.2	Very high	87.1	Confident	114 Å²	114	60.3 Å²	60.3	53%	0.533	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.4	176.5	-66.9	-170.7	-0.2	0	0	110.6	T814 C815 L816 P875	Q807-T814 HydrophobicContact CB-CG2 4.04Å; Q807-C815 WeakPolarHBondContact CA-O 3.3Å; Q807-L816 HydrophobicContact CG-CD1 4.48Å; Q807-P875 WeakPolarHBondContact O-CD 3.34Å
808	G	90	Very high	87.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	164.3	177.3	0	0	0	0	0	111.8	P810 C815 L817	G808-P810 WeakPolarHBondContact O-CD 3.48Å; G808-C815 PolarHBondContact N-O 3.08Å; G808-C815 PolarHBondContact O-N 3.36Å; G808-C815 VanDerWaalsContact O-O 3.06Å; G808-C815 PolarHBondContact O-SG 2.99Å; G808-L817 WeakPolarHBondContact O-CD1 3.5Å
809	A	90.6	Very high	87.1	Confident	6 Å²	6	58.5 Å²	58.5	5%	0.05	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-119.2	86.1	-173.4	0	0	0	0	0	112.8	S813 N872	A809-S813 WeakPolarHBondContact CA-O 3.26Å; A809-S813 WeakPolarHBondContact CB-O 3.37Å; A809-N872 HydrophobicContact CB-CB 4.34Å; A809-N872 WeakPolarHBondContact CB-O 3.45Å; A809-N872 PolarHBondContact N-O 2.92Å; A809-N872 PolarHBondContact O-N 2.71Å
810	P	88.1	Confident	87	Confident	20 Å²	20	55.4 Å²	55.4	13%	0.13	27%	0.271	C	S	.	.	S	Bend	trans	-76.7	-33.6	178.3	28.7	-31.9	0	0	0	113.3	G808 C815 F833 I871	G808-P810 WeakPolarHBondContact O-CD 3.48Å; P810-C815 WeakPolarHBondContact CD-SG 3.46Å; P810-F833 HydrophobicContact CB-CB 4.43Å; P810-F833 HydrophobicContact CB-CD1 4.39Å; P810-F833 HydrophobicContact CB-CD2 3.44Å; P810-F833 VanDerWaalsContact CB-CD2 3.44Å; P810-F833 HydrophobicContact CB-CE2 3.6Å; P810-F833 HydrophobicContact CB-CG 3.85Å; P810-F833 HydrophobicContact CB-CZ 4.13Å; P810-F833 HydrophobicContact CG-CB 4.06Å; P810-F833 HydrophobicContact CG-CD1 4.42Å; P810-F833 HydrophobicContact CG-CD2 4.02Å; P810-F833 HydrophobicContact CG-CG 3.93Å; P810-I871 HydrophobicContact CB-CG1 4.38Å
811	Y	83.2	Confident	86.9	Confident	116 Å²	116	59.4 Å²	59.4	46%	0.455	30%	0.299	S	S	.	.	S	Bend	trans	-123	38.5	-177.3	-63.1	-58.3	0	0	0	112.6	S813 P831 F833	Y811-S813 PolarHBondContact O-N 2.94Å; Y811-P831 HydrophobicContact CD2-CG 3.83Å; Y811-P831 HydrophobicContact CE2-CG 4.27Å; Y811-P831 HydrophobicContact CG-CG 4.06Å; Y811-F833 HydrophobicContact CD2-CB 4.43Å; Y811-F833 HydrophobicContact CE2-CB 3.88Å; Y811-F833 AromaticContact CE2-CD2 3.87Å; Y811-F833 HydrophobicContact CE2-CD2 3.87Å; Y811-F833 HydrophobicContact CE2-CG 4.39Å
812	R	78.7	Confident	86.8	Confident	224 Å²	224	56 Å²	56	85%	0.845	29%	0.287	S	S	*	.	S	Bend	trans	73.5	-12.7	-179	-49.8	176.1	177.9	-169.4	-4.8	116.4
813	S	85.5	Confident	87.1	Confident	53 Å²	53	51.7 Å²	51.7	37%	0.371	27%	0.271	S	S	.	.	S	Bend	trans	-98.4	138.9	167.6	58.2	0	0	0	0	110.8	A809 Y811 C815 E829	A809-S813 WeakPolarHBondContact CA-O 3.26Å; A809-S813 WeakPolarHBondContact CB-O 3.37Å; Y811-S813 PolarHBondContact O-N 2.94Å; S813-C815 PolarHBondContact O-N 3.43Å; S813-E829 PolarHBondContact OG-OE2 3.48Å
814	T	87.6	Confident	87.6	Confident	78 Å²	78	44 Å²	44	48%	0.479	23%	0.23	S	C	.	.			trans	-75	120.1	171.2	-57.1	0	0	0	0	109.1	Q807	Q807-T814 HydrophobicContact CB-CG2 4.04Å
815	C	89.5	Confident	88.1	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.034	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	163.5	179.6	60.8	0	0	0	0	110.7	Q807 G808 P810 S813 L817 N826	Q807-C815 WeakPolarHBondContact CA-O 3.3Å; G808-C815 PolarHBondContact N-O 3.08Å; G808-C815 PolarHBondContact O-N 3.36Å; G808-C815 VanDerWaalsContact O-O 3.06Å; G808-C815 PolarHBondContact O-SG 2.99Å; P810-C815 WeakPolarHBondContact CD-SG 3.46Å; S813-C815 PolarHBondContact O-N 3.43Å; C815-L817 PolarHBondContact O-N 2.84Å; C815-N826 WeakPolarHBondContact CB-ND2 3.3Å; C815-N826 PolarHBondContact SG-ND2 2.9Å
816	L	90.1	Very high	88.4	Confident	51 Å²	51	38.9 Å²	38.9	27%	0.267	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	106.6	173.7	-177.2	61.5	0	0	0	109.3	Q807 Q818	Q807-L816 HydrophobicContact CG-CD1 4.48Å; L816-Q818 HydrophobicContact CD2-CG 4.37Å; L816-Q818 HydrophobicContact CG-CG 4.01Å
817	L	91.1	Very high	88.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.6	171.2	-67.4	90.8	0	0	0	108.8	G805 F806 G808 C815 L824 I825 F833 I871	G805-L817 CarbonylContact C-O 3.55Å; G805-L817 WeakPolarHBondContact CA-O 3.39Å; F806-L817 HydrophobicContact CE1-CB 4.38Å; F806-L817 HydrophobicContact CE2-CB 4.33Å; F806-L817 HydrophobicContact CE2-CD1 4.28Å; F806-L817 HydrophobicContact CE2-CD2 4.46Å; F806-L817 HydrophobicContact CZ-CB 4.19Å; F806-L817 HydrophobicContact CZ-CD2 4.33Å; F806-L817 PolarHBondContact N-O 3.36Å; F806-L817 PolarHBondContact O-N 3.45Å; G808-L817 WeakPolarHBondContact O-CD1 3.5Å; C815-L817 PolarHBondContact O-N 2.84Å; L817-L824 HydrophobicContact CB-CD1 4.12Å; L817-L824 HydrophobicContact CD2-CD2 4.02Å; L817-L824 HydrophobicContact CD2-CG 4.22Å; L817-I825 WeakPolarHBondContact CA-O 3.38Å; L817-F833 HydrophobicContact CD2-CD1 3.73Å; L817-F833 HydrophobicContact CD2-CE1 3.55Å; L817-F833 HydrophobicContact CD2-CZ 4.47Å; L817-I871 HydrophobicContact CD1-CG2 4.15Å; L817-I871 HydrophobicContact CD2-CD1 3.67Å; L817-I871 HydrophobicContact CD2-CG1 4.15Å; L817-I871 HydrophobicContact CD2-CG2 4.16Å
818	Q	89.8	Confident	88.3	Confident	3 Å²	3	34 Å²	34	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.6	-177.7	-62.4	174	-13.5	0	0	108.7	Q710 P800 L816 I825	Q710-Q818 VanDerWaalsContact NE2-OE1 3.17Å; P800-Q818 HydrophobicContact CB-CB 3.6Å; P800-Q818 HydrophobicContact CB-CG 4.49Å; L816-Q818 HydrophobicContact CD2-CG 4.37Å; L816-Q818 HydrophobicContact CG-CG 4.01Å; Q818-I825 PolarHBondContact N-O 2.84Å; Q818-I825 WeakPolarHBondContact O-CG1 3.21Å; Q818-I825 PolarHBondContact O-N 3.41Å
819	P	89.6	Confident	88.1	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	149.7	171.2	30.5	-32.2	0	0	0	110.5	F801 L804 L824 W885	F801-P819 WeakPolarHBondContact CD2-O 3.3Å; F801-P819 PolarHBondContact N-O 3.41Å; L804-P819 HydrophobicContact CB-CG 3.45Å; L804-P819 VanDerWaalsContact CB-CG 3.45Å; L804-P819 HydrophobicContact CD1-CG 4.3Å; L804-P819 WeakPolarHBondContact O-CD 3.37Å; P819-L824 HydrophobicContact CB-CD1 4.37Å; P819-W885 HydrophobicContact CB-CZ2 3.78Å
820	T	88.3	Confident	87.8	Confident	6 Å²	6	42.3 Å²	42.3	4%	0.037	21%	0.21	C	C	.	.			trans	-116.4	-172.3	168.3	59.8	0	0	0	0	108.7	E798 P800 S822 S823 I825	E798-T820 HydrophobicContact CB-CG2 4.19Å; E798-T820 PolarHBondContact OE2-OG1 2.93Å; P800-T820 HydrophobicContact CB-CG2 4.05Å; T820-S822 VanDerWaalsContact C-N 3.25Å; T820-S822 PolarHBondContact O-N 3.26Å; T820-S823 PolarHBondContact N-O 3.46Å; T820-S823 WeakPolarHBondContact OG1-CA 3.33Å; T820-S823 PolarHBondContact OG1-N 3.37Å; T820-S823 PolarHBondContact OG1-O 3.42Å; T820-S823 PolarHBondContact OG1-OG 2.92Å; T820-I825 HydrophobicContact CG2-CD1 3.44Å; T820-I825 VanDerWaalsContact CG2-CD1 3.44Å; T820-I825 HydrophobicContact CG2-CG1 3.81Å
821	S	83.9	Confident	87.8	Confident	93 Å²	93	44.5 Å²	44.5	65%	0.65	22%	0.224	S	C	*	.	S	Bend	trans	-57.7	-32.9	174.7	-58.9	0	0	0	0	114
822	S	85.6	Confident	88.2	Confident	25 Å²	25	39.2 Å²	39.2	18%	0.175	20%	0.204	C	C	.	.	S	Bend	trans	-133.1	-8.9	-174.8	79.4	0	0	0	0	115.4	H706 E798 T820 L837	H706-S822 PolarHBondContact CE1-OG 2.8Å; E798-S822 VanDerWaalsContact CD-OG 3.3Å; E798-S822 VanDerWaalsContact OE1-CB 3.23Å; E798-S822 WeakPolarHBondContact OE1-CB 3.32Å; E798-S822 PolarHBondContact OE1-OG 3.22Å; E798-S822 PolarHBondContact OE2-OG 2.72Å; T820-S822 VanDerWaalsContact C-N 3.25Å; T820-S822 PolarHBondContact O-N 3.26Å; S822-L837 WeakPolarHBondContact O-CB 3.23Å; S822-L837 WeakPolarHBondContact O-CG 3.27Å; S822-L837 PolarHBondContact O-N 3.47Å
823	S	89.2	Confident	88.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.5	-172.7	64.4	0	0	0	0	113.6	E798 T820 I825 V835	E798-S823 PolarHBondContact OE2-OG 3.43Å; T820-S823 PolarHBondContact N-O 3.46Å; T820-S823 WeakPolarHBondContact OG1-CA 3.33Å; T820-S823 PolarHBondContact OG1-N 3.37Å; T820-S823 PolarHBondContact OG1-O 3.42Å; T820-S823 PolarHBondContact OG1-OG 2.92Å; S823-I825 WeakPolarHBondContact OG-CG2 3.47Å; S823-V835 CarbonylContact C-O 3.5Å; S823-V835 WeakPolarHBondContact CA-O 3.49Å; S823-V835 VanDerWaalsContact CB-O 3.27Å; S823-V835 WeakPolarHBondContact CB-O 3.48Å
824	L	91.1	Very high	89.1	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.6	166.3	178.7	66.2	0	0	0	108.3	F806 L817 P819 F833 V835 L837 I859 I871 W885	F806-L824 HydrophobicContact CE1-CD1 4.1Å; F806-L824 HydrophobicContact CZ-CD1 4.47Å; F806-L824 HydrophobicContact CZ-CD2 4.21Å; L817-L824 HydrophobicContact CB-CD1 4.12Å; L817-L824 HydrophobicContact CD2-CD2 4.02Å; L817-L824 HydrophobicContact CD2-CG 4.22Å; P819-L824 HydrophobicContact CB-CD1 4.37Å; L824-F833 HydrophobicContact CD2-CE1 4.27Å; L824-F833 HydrophobicContact CG-CE1 4.39Å; L824-V835 HydrophobicContact CB-CB 4.45Å; L824-V835 PolarHBondContact N-O 3.2Å; L824-V835 PolarHBondContact O-N 3.06Å; L824-L837 HydrophobicContact CB-CD2 4.37Å; L824-I859 HydrophobicContact CD2-CD1 4.46Å; L824-I871 HydrophobicContact CD2-CD1 3.95Å; L824-W885 HydrophobicContact CB-CH2 3.94Å; L824-W885 HydrophobicContact CB-CZ2 4.37Å; L824-W885 HydrophobicContact CD1-CH2 3.97Å; L824-W885 HydrophobicContact CD1-CZ2 4.4Å; L824-W885 HydrophobicContact CD2-CH2 3.99Å; L824-W885 HydrophobicContact CD2-CZ3 4.35Å; L824-W885 HydrophobicContact CG-CH2 4.18Å
825	I	92.5	Very high	89.2	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.7	-166.4	65.5	164.1	0	0	0	113	I708 P800 L817 Q818 T820 S823 V827 F833 V834	I708-I825 HydrophobicContact CB-CD1 4.4Å; I708-I825 HydrophobicContact CD1-CB 4.33Å; I708-I825 HydrophobicContact CD1-CD1 3.89Å; I708-I825 HydrophobicContact CD1-CG2 3.71Å; I708-I825 HydrophobicContact CG1-CD1 4.29Å; I708-I825 HydrophobicContact CG2-CD1 3.31Å; P800-I825 HydrophobicContact CB-CD1 4.05Å; P800-I825 HydrophobicContact CB-CG1 4.45Å; P800-I825 HydrophobicContact CG-CD1 3.99Å; L817-I825 WeakPolarHBondContact CA-O 3.38Å; Q818-I825 PolarHBondContact N-O 2.84Å; Q818-I825 WeakPolarHBondContact O-CG1 3.21Å; Q818-I825 PolarHBondContact O-N 3.41Å; T820-I825 HydrophobicContact CG2-CD1 3.44Å; T820-I825 VanDerWaalsContact CG2-CD1 3.44Å; T820-I825 HydrophobicContact CG2-CG1 3.81Å; S823-I825 WeakPolarHBondContact OG-CG2 3.47Å; I825-V827 HydrophobicContact CD1-CG1 4.41Å; I825-V827 HydrophobicContact CD1-CG2 4.31Å; I825-F833 CarbonylContact C-O 3.59Å; I825-F833 VanDerWaalsContact CA-O 3.23Å; I825-F833 WeakPolarHBondContact CA-O 3.43Å; I825-V834 HydrophobicContact CG2-CB 4.47Å; I825-V834 HydrophobicContact CG2-CG1 4.12Å; I825-V834 HydrophobicContact CG2-CG2 4.26Å
826	N	91.9	Very high	89.3	Confident	7 Å²	7	23.5 Å²	23.5	4%	0.037	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	110.6	155.1	167.9	23.7	0	0	0	107.4	C815 T828 P832 F833	C815-N826 WeakPolarHBondContact CB-ND2 3.3Å; C815-N826 PolarHBondContact SG-ND2 2.9Å; N826-T828 PolarHBondContact OD1-N 3.23Å; N826-T828 VanDerWaalsContact OD1-N 3.14Å; N826-T828 PolarHBondContact OD1-OG1 3.28Å; N826-P832 CarbonylContact O-C 3.44Å; N826-P832 VanDerWaalsContact O-CA 3.32Å; N826-P832 WeakPolarHBondContact O-CA 3.42Å; N826-F833 HydrophobicContact CB-CB 4.15Å; N826-F833 PolarHBondContact N-O 3.12Å; N826-F833 PolarHBondContact O-N 3.04Å
827	V	90.3	Very high	89.1	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.123	C	C	.	.			trans	-114.4	0.2	-179.9	-64.4	0	0	0	0	112.7	I708 Q710 V719 H721 Q739 I825 P832 V834	I708-V827 HydrophobicContact CD1-CG1 4.18Å; I708-V827 HydrophobicContact CG2-CG2 4.2Å; Q710-V827 HydrophobicContact CB-CG2 3.82Å; Q710-V827 HydrophobicContact CG-CG2 4.35Å; V719-V827 HydrophobicContact CG1-CB 3.91Å; V719-V827 HydrophobicContact CG1-CG2 3.64Å; H721-V827 HydrophobicContact CB-CB 4.16Å; H721-V827 HydrophobicContact CB-CG1 3.76Å; Q739-V827 PolarHBondContact NE2-O 3.45Å; Q739-V827 VanDerWaalsContact NE2-O 3.12Å; I825-V827 HydrophobicContact CD1-CG1 4.41Å; I825-V827 HydrophobicContact CD1-CG2 4.31Å; V827-P832 HydrophobicContact CG1-CB 4.48Å; V827-V834 HydrophobicContact CG1-CG2 4.36Å
828	T	87	Confident	88.9	Confident	20 Å²	20	27.9 Å²	27.9	12%	0.123	15%	0.154	C	C	.	.	S	Bend	trans	-76	-34.3	179	58.5	0	0	0	0	111.3	Q710 E715 I717 N826	Q710-T828 HydrophobicContact CG-CG2 3.96Å; E715-T828 HydrophobicContact CG-CG2 3.98Å; I717-T828 WeakPolarHBondContact CD1-O 3.48Å; N826-T828 PolarHBondContact OD1-N 3.23Å; N826-T828 VanDerWaalsContact OD1-N 3.14Å; N826-T828 PolarHBondContact OD1-OG1 3.28Å
829	E	86.2	Confident	88.8	Confident	78 Å²	78	31.1 Å²	31.1	36%	0.364	17%	0.169	S	C	.	.	S	Bend	trans	-104.9	161	176.5	-66.2	-172.3	177.8	0	0	112.8	S813 P831	S813-E829 PolarHBondContact OG-OE2 3.48Å; E829-P831 CarbonylContact O-C 3.5Å
830	W	84.4	Confident	88.7	Confident	103 Å²	103	31.4 Å²	31.4	39%	0.39	17%	0.171	S	C	.	.	S	Bend	trans	-117.5	130.3	174.5	-177.6	-87.3	0	0	0	110.5	R668 P669 Q739 P832	R668-W830 HydrophobicContact CB-CE3 3.99Å; R668-W830 HydrophobicContact CB-CZ3 4.21Å; R668-W830 HydrophobicContact CG-CD2 3.62Å; R668-W830 HydrophobicContact CG-CE3 3.52Å; R668-W830 HydrophobicContact CG-CG 4.11Å; R668-W830 HydrophobicContact CG-CZ3 4.06Å; P669-W830 HydrophobicContact CB-CH2 4.09Å; P669-W830 HydrophobicContact CB-CZ2 3.86Å; P669-W830 VanDerWaalsContact CD-CH2 3.5Å; P669-W830 HydrophobicContact CG-CH2 3.99Å; P669-W830 HydrophobicContact CG-CZ2 4.18Å; Q739-W830 HydrophobicContact CG-CZ3 4.39Å; W830-P832 HydrophobicContact CE3-CG 4.08Å; W830-P832 HydrophobicContact CH2-CG 4.37Å; W830-P832 HydrophobicContact CZ3-CG 3.75Å
831	P	88.6	Confident	88.5	Confident	66 Å²	66	31.6 Å²	31.6	43%	0.429	17%	0.171	S	C	.	.	S	Bend	cis	-74.7	146.8	5.8	30.6	-35.3	0	0	0	113.6	Y811 E829	Y811-P831 HydrophobicContact CD2-CG 3.83Å; Y811-P831 HydrophobicContact CE2-CG 4.27Å; Y811-P831 HydrophobicContact CG-CG 4.06Å; E829-P831 CarbonylContact O-C 3.5Å
832	P	91.1	Very high	88.7	Confident	6 Å²	6	27.2 Å²	27.2	4%	0.039	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-72.3	142.5	-179.7	28.1	-32.8	0	0	0	110.2	H721 D737 N826 V827 W830	H721-P832 VanDerWaalsContact CE1-CG 3.49Å; H721-P832 WeakPolarHBondContact CE1-CG 3.32Å; D737-P832 HydrophobicContact CB-CG 3.75Å; N826-P832 CarbonylContact O-C 3.44Å; N826-P832 VanDerWaalsContact O-CA 3.32Å; N826-P832 WeakPolarHBondContact O-CA 3.42Å; V827-P832 HydrophobicContact CG1-CB 4.48Å; W830-P832 HydrophobicContact CE3-CG 4.08Å; W830-P832 HydrophobicContact CH2-CG 4.37Å; W830-P832 HydrophobicContact CZ3-CG 3.75Å
833	F	92.1	Very high	89	Confident	4 Å²	4	26.2 Å²	26.2	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.8	171.9	-177.5	-106.2	0	0	0	108.4	P810 Y811 L817 L824 I825 N826 V835 I859 I871	P810-F833 HydrophobicContact CB-CB 4.43Å; P810-F833 HydrophobicContact CB-CD1 4.39Å; P810-F833 HydrophobicContact CB-CD2 3.44Å; P810-F833 VanDerWaalsContact CB-CD2 3.44Å; P810-F833 HydrophobicContact CB-CE2 3.6Å; P810-F833 HydrophobicContact CB-CG 3.85Å; P810-F833 HydrophobicContact CB-CZ 4.13Å; P810-F833 HydrophobicContact CG-CB 4.06Å; P810-F833 HydrophobicContact CG-CD1 4.42Å; P810-F833 HydrophobicContact CG-CD2 4.02Å; P810-F833 HydrophobicContact CG-CG 3.93Å; Y811-F833 HydrophobicContact CD2-CB 4.43Å; Y811-F833 HydrophobicContact CE2-CB 3.88Å; Y811-F833 AromaticContact CE2-CD2 3.87Å; Y811-F833 HydrophobicContact CE2-CD2 3.87Å; Y811-F833 HydrophobicContact CE2-CG 4.39Å; L817-F833 HydrophobicContact CD2-CD1 3.73Å; L817-F833 HydrophobicContact CD2-CE1 3.55Å; L817-F833 HydrophobicContact CD2-CZ 4.47Å; L824-F833 HydrophobicContact CD2-CE1 4.27Å; L824-F833 HydrophobicContact CG-CE1 4.39Å; I825-F833 CarbonylContact C-O 3.59Å; I825-F833 VanDerWaalsContact CA-O 3.23Å; I825-F833 WeakPolarHBondContact CA-O 3.43Å; N826-F833 HydrophobicContact CB-CB 4.15Å; N826-F833 PolarHBondContact N-O 3.12Å; N826-F833 PolarHBondContact O-N 3.04Å; F833-V835 HydrophobicContact CD1-CG2 4.37Å; F833-V835 HydrophobicContact CD2-CG2 4.49Å; F833-V835 HydrophobicContact CE1-CB 4.38Å; F833-V835 HydrophobicContact CE1-CG2 3.59Å; F833-V835 HydrophobicContact CE2-CG2 3.73Å; F833-V835 HydrophobicContact CZ-CB 4.41Å; F833-V835 HydrophobicContact CZ-CG2 3.23Å; F833-I859 HydrophobicContact CZ-CD1 4.41Å; F833-I871 HydrophobicContact CE1-CD1 4.08Å; F833-I871 HydrophobicContact CE1-CG1 4.35Å; F833-I871 HydrophobicContact CZ-CD1 3.95Å; F833-I871 HydrophobicContact CZ-CG1 3.89Å
834	V	91.1	Very high	89.1	Confident	20 Å²	20	26.4 Å²	26.4	12%	0.121	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	115.2	175.6	179.7	0	0	0	0	108.5	I708 H723 I825 V827	I708-V834 HydrophobicContact CD1-CG2 4.26Å; H723-V834 HydrophobicContact CB-CG1 4.16Å; I825-V834 HydrophobicContact CG2-CB 4.47Å; I825-V834 HydrophobicContact CG2-CG1 4.12Å; I825-V834 HydrophobicContact CG2-CG2 4.26Å; V827-V834 HydrophobicContact CG1-CG2 4.36Å
835	V	90.7	Very high	89.1	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.3	175	174.3	0	0	0	0	108.6	S823 L824 F833 V840 I859 Y861	S823-V835 CarbonylContact C-O 3.5Å; S823-V835 WeakPolarHBondContact CA-O 3.49Å; S823-V835 VanDerWaalsContact CB-O 3.27Å; S823-V835 WeakPolarHBondContact CB-O 3.48Å; L824-V835 HydrophobicContact CB-CB 4.45Å; L824-V835 PolarHBondContact N-O 3.2Å; L824-V835 PolarHBondContact O-N 3.06Å; F833-V835 HydrophobicContact CD1-CG2 4.37Å; F833-V835 HydrophobicContact CD2-CG2 4.49Å; F833-V835 HydrophobicContact CE1-CB 4.38Å; F833-V835 HydrophobicContact CE1-CG2 3.59Å; F833-V835 HydrophobicContact CE2-CG2 3.73Å; F833-V835 HydrophobicContact CZ-CB 4.41Å; F833-V835 HydrophobicContact CZ-CG2 3.23Å; V835-V840 HydrophobicContact CG1-CG2 3.83Å; V835-I859 HydrophobicContact CG1-CD1 4.17Å; V835-I859 HydrophobicContact CG1-CG2 4.16Å; V835-I859 HydrophobicContact CG2-CD1 4.28Å; V835-Y861 HydrophobicContact CG1-CE1 4.12Å; V835-Y861 WeakPolarHBondContact CG2-OH 3.35Å
836	T	90.6	Very high	89	Confident	4 Å²	4	26.2 Å²	26.2	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	121.9	174.3	-51.7	0	0	0	0	109.3	K705 H706 D838 E839	K705-T836 VanDerWaalsContact CE-OG1 3.26Å; K705-T836 WeakPolarHBondContact CE-OG1 3.36Å; K705-T836 PolarHBondContact NZ-OG1 3.37Å; H706-T836 WeakPolarHBondContact NE2-CG2 3.31Å; H706-T836 PolarHBondContact NE2-OG1 3.33Å; T836-D838 VanDerWaalsContact C-N 3.28Å; T836-D838 HydrophobicContact CG2-CB 4.09Å; T836-D838 PolarHBondContact O-N 3.33Å; T836-E839 HydrophobicContact CG2-CG 4.22Å; T836-E839 PolarHBondContact O-N 2.95Å
837	L	86.6	Confident	88.7	Confident	22 Å²	22	30.2 Å²	30.2	12%	0.115	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-64.8	-34.7	-177.6	-61.3	175.6	0	0	0	111.8	S822 L824 E839 V840 W885 I891	S822-L837 WeakPolarHBondContact O-CB 3.23Å; S822-L837 WeakPolarHBondContact O-CG 3.27Å; S822-L837 PolarHBondContact O-N 3.47Å; L824-L837 HydrophobicContact CB-CD2 4.37Å; L837-E839 PolarHBondContact O-N 3.12Å; L837-E839 VanDerWaalsContact O-N 3.14Å; L837-V840 WeakPolarHBondContact O-CB 3.5Å; L837-V840 PolarHBondContact O-N 2.97Å; L837-W885 HydrophobicContact CD1-CZ2 4Å; L837-W885 HydrophobicContact CD2-CH2 3.83Å; L837-W885 HydrophobicContact CD2-CZ2 3.8Å; L837-I891 HydrophobicContact CB-CD1 4.39Å; L837-I891 HydrophobicContact CD2-CD1 4.15Å
838	D	85.9	Confident	88.3	Confident	121 Å²	121	31.9 Å²	31.9	65%	0.647	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-61.5	-23.1	177	-66.6	-20.8	0	0	0	114	T836 K862	T836-D838 VanDerWaalsContact C-N 3.28Å; T836-D838 HydrophobicContact CG2-CB 4.09Å; T836-D838 PolarHBondContact O-N 3.33Å; D838-K862 VanDerWaalsContact O-CD 3.27Å; D838-K862 WeakPolarHBondContact O-CD 3.44Å; D838-K862 WeakPolarHBondContact O-CE 3.29Å; D838-K862 PolarHBondContact O-NZ 3.21Å
839	E	87.2	Confident	88	Confident	70 Å²	70	34.9 Å²	34.9	33%	0.327	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-93.6	-3	178.7	-65.7	-174.9	168	0	0	113.2	K705 T836 L837 Y861 K862 K866	K705-E839 IonicContact NZ-OE1 2.72Å; K705-E839 PolarHBondContact NZ-OE1 2.83Å; K705-E839 IonicContact NZ-OE2 2.8Å; K705-E839 PolarHBondContact NZ-OE2 2.88Å; K705-E839 VanDerWaalsContact NZ-OE2 3.15Å; T836-E839 HydrophobicContact CG2-CG 4.22Å; T836-E839 PolarHBondContact O-N 2.95Å; L837-E839 PolarHBondContact O-N 3.12Å; L837-E839 VanDerWaalsContact O-N 3.14Å; E839-Y861 HydrophobicContact CB-CD1 4.25Å; E839-Y861 CarbonylContact O-C 3.58Å; E839-Y861 VanDerWaalsContact O-CA 3.28Å; E839-Y861 WeakPolarHBondContact O-CA 3.49Å; E839-K862 WeakPolarHBondContact O-CG 3.44Å; E839-K862 PolarHBondContact O-N 3.1Å; E839-K866 IonicContact OE2-NZ 2.74Å; E839-K866 PolarHBondContact OE2-NZ 3.15Å
840	V	88.6	Confident	87.4	Confident	8 Å²	8	41.5 Å²	41.5	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.3	177.6	-179	0	0	0	0	108.8	V835 L837 V843 I859 K862 I891	V835-V840 HydrophobicContact CG1-CG2 3.83Å; L837-V840 WeakPolarHBondContact O-CB 3.5Å; L837-V840 PolarHBondContact O-N 2.97Å; V840-V843 HydrophobicContact CG1-CG2 3.97Å; V840-I859 HydrophobicContact CB-CG2 4.34Å; V840-I859 HydrophobicContact CG1-CG2 3.85Å; V840-I859 HydrophobicContact CG2-CG2 3.6Å; V840-K862 VanDerWaalsContact O-CE 3.23Å; V840-K862 WeakPolarHBondContact O-CE 3.49Å; V840-I891 HydrophobicContact CB-CD1 4.33Å; V840-I891 HydrophobicContact CG1-CD1 4.38Å; V840-I891 HydrophobicContact CG1-CG2 4.03Å
841	E	84.7	Confident	87.2	Confident	9 Å²	9	42.8 Å²	42.8	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-56.2	173.6	-175.4	74	174.1	0	0	109.2	L485 R492 V860 K862	L485-E841 HydrophobicContact CD1-CG 4.09Å; L485-E841 WeakPolarHBondContact CD1-O 3.43Å; L485-E841 HydrophobicContact CD2-CG 4.14Å; L485-E841 WeakPolarHBondContact CD2-OE1 3.33Å; L485-E841 HydrophobicContact CG-CG 4.29Å; L485-E841 VanDerWaalsContact CG-OE1 3.3Å; L485-E841 WeakPolarHBondContact CG-OE1 3.44Å; R492-E841 IonicContact NH1-OE2 3.39Å; R492-E841 PolarHBondContact NH1-OE2 3.47Å; E841-V860 PolarHBondContact N-O 3.25Å; E841-K862 HydrophobicContact CB-CG 4.06Å; E841-K862 WeakPolarHBondContact OE2-CG 3.49Å
842	L	88	Confident	87	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.7	177.2	70.9	85.2	0	0	0	111.8	H844 V860 K892 W922	L842-H844 HydrophobicContact CD1-CB 4.17Å; L842-V860 HydrophobicContact CD1-CB 3.96Å; L842-V860 HydrophobicContact CD1-CG2 3.63Å; L842-V860 HydrophobicContact CG-CB 3.87Å; L842-V860 HydrophobicContact CG-CG1 4.38Å; L842-V860 HydrophobicContact CG-CG2 4.1Å; L842-V860 PolarHBondContact N-O 2.78Å; L842-V860 PolarHBondContact O-N 3Å; L842-K892 WeakPolarHBondContact CA-O 3.29Å; L842-W922 HydrophobicContact CD2-CB 3.95Å; L842-W922 HydrophobicContact CD2-CD2 3.1Å; L842-W922 HydrophobicContact CD2-CE3 3.52Å; L842-W922 HydrophobicContact CD2-CG 3.31Å; L842-W922 HydrophobicContact CD2-CH2 4.14Å; L842-W922 HydrophobicContact CD2-CZ2 3.86Å; L842-W922 HydrophobicContact CD2-CZ3 4.02Å
843	V	91	Very high	86.7	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.7	172	176.4	0	0	0	0	109.9	V840 F845 V857 V858 L886 I891 K892 Y893 T894	V840-V843 HydrophobicContact CG1-CG2 3.97Å; V843-F845 HydrophobicContact CG1-CE1 4.27Å; V843-F845 HydrophobicContact CG1-CZ 4.32Å; V843-V857 HydrophobicContact CG1-CG1 3.41Å; V843-V857 VanDerWaalsContact CG1-CG1 3.41Å; V843-V858 CarbonylContact C-O 3.54Å; V843-V858 VanDerWaalsContact CA-O 3.27Å; V843-V858 WeakPolarHBondContact CA-O 3.49Å; V843-L886 HydrophobicContact CB-CD1 3.9Å; V843-L886 HydrophobicContact CG1-CD1 3.82Å; V843-L886 HydrophobicContact CG2-CD1 4.21Å; V843-L886 HydrophobicContact CG2-CD2 3.93Å; V843-I891 HydrophobicContact CG2-CG2 3.94Å; V843-K892 PolarHBondContact N-O 2.84Å; V843-Y893 CarbonylContact O-C 3.39Å; V843-Y893 WeakPolarHBondContact O-CA 3.29Å; V843-Y893 WeakPolarHBondContact O-CB 3.12Å; V843-T894 PolarHBondContact O-N 2.95Å
844	H	90.9	Very high	86.5	Confident	3 Å²	3	54.4 Å²	54.4	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.5	175.4	-179.1	74.2	0	0	0	110	L842 E846 V858 T894 W902	L842-H844 HydrophobicContact CD1-CB 4.17Å; H844-E846 VanDerWaalsContact CD2-CG 3.45Å; H844-E846 WeakPolarHBondContact CD2-CG 3.39Å; H844-V858 HydrophobicContact CB-CB 4.08Å; H844-V858 PolarHBondContact N-O 2.74Å; H844-V858 WeakPolarHBondContact O-CA 3.49Å; H844-V858 VanDerWaalsContact O-CB 3.29Å; H844-V858 WeakPolarHBondContact O-CB 3.28Å; H844-V858 WeakPolarHBondContact O-CG2 3.36Å; H844-V858 PolarHBondContact O-N 3.14Å; H844-T894 PolarHBondContact ND1-OG1 2.89Å; H844-W902 HydrophobicContact CB-CH2 4.06Å; H844-W902 HydrophobicContact CB-CZ2 4.09Å; H844-W902 AromaticContact CD2-CZ2 3.64Å
845	F	91.8	Very high	86.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.5	174.9	-62.2	-67.1	0	0	0	109.4	V843 V848 F855 D856 V857 L879 I882 K883 L886 Y893 T894 E895 G896	V843-F845 HydrophobicContact CG1-CE1 4.27Å; V843-F845 HydrophobicContact CG1-CZ 4.32Å; F845-V848 HydrophobicContact CB-CG2 3.54Å; F845-F855 AromaticContact CD1-CD2 3.97Å; F845-F855 HydrophobicContact CD1-CD2 3.97Å; F845-F855 AromaticContact CD1-CE2 3.54Å; F845-F855 HydrophobicContact CD1-CE2 3.54Å; F845-F855 AromaticContact CE1-CE2 3.88Å; F845-F855 HydrophobicContact CE1-CE2 3.88Å; F845-F855 HydrophobicContact CG-CE2 4.5Å; F845-D856 CarbonylContact C-O 3.58Å; F845-D856 WeakPolarHBondContact CA-O 3.37Å; F845-V857 HydrophobicContact CD1-CB 4.46Å; F845-V857 HydrophobicContact CD1-CG1 4.29Å; F845-V857 HydrophobicContact CD1-CG2 3.88Å; F845-V857 HydrophobicContact CE1-CG1 4.09Å; F845-V857 HydrophobicContact CE1-CG2 3.86Å; F845-L879 HydrophobicContact CD1-CD1 4.26Å; F845-L879 HydrophobicContact CE1-CD1 4.43Å; F845-L879 HydrophobicContact CG-CD1 4.31Å; F845-I882 HydrophobicContact CE1-CG2 3.89Å; F845-I882 HydrophobicContact CZ-CG2 3.85Å; F845-K883 HydrophobicContact CE2-CG 3.79Å; F845-K883 HydrophobicContact CZ-CG 4.11Å; F845-L886 HydrophobicContact CE1-CD1 4.44Å; F845-L886 HydrophobicContact CE2-CD1 4.07Å; F845-L886 HydrophobicContact CZ-CD1 3.54Å; F845-Y893 AromaticContact CD2-CD2 4Å; F845-Y893 HydrophobicContact CD2-CD2 4Å; F845-Y893 HydrophobicContact CD2-CG 4.46Å; F845-Y893 AromaticContact CE2-CD2 3.61Å; F845-Y893 HydrophobicContact CE2-CD2 3.61Å; F845-Y893 HydrophobicContact CE2-CE2 4.39Å; F845-Y893 AromaticContact CE2-CG 3.79Å; F845-Y893 HydrophobicContact CE2-CG 3.79Å; F845-T894 WeakPolarHBondContact CD2-O 3.38Å; F845-T894 PolarHBondContact N-O 2.7Å; F845-E895 HydrophobicContact CB-CG 4.15Å; F845-E895 HydrophobicContact CD2-CG 3.85Å; F845-E895 HydrophobicContact CG-CG 4.46Å; F845-G896 PolarHBondContact O-N 2.86Å
846	E	89.7	Confident	86.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	155.1	175.7	-68.9	-171.8	169.8	0	0	111.2	H844 V848 F855 D856 V858 M870 G896 S899 L900 W902	H844-E846 VanDerWaalsContact CD2-CG 3.45Å; H844-E846 WeakPolarHBondContact CD2-CG 3.39Å; E846-V848 PolarHBondContact O-N 3.11Å; E846-F855 WeakPolarHBondContact O-CB 3.05Å; E846-D856 HydrophobicContact CB-CB 4.29Å; E846-D856 PolarHBondContact N-O 3.37Å; E846-D856 PolarHBondContact O-N 2.98Å; E846-V858 HydrophobicContact CG-CG2 3.73Å; E846-M870 WeakPolarHBondContact OE2-CE 3.06Å; E846-G896 CarbonylContact C-O 3.45Å; E846-G896 WeakPolarHBondContact CA-O 3.39Å; E846-S899 WeakPolarHBondContact OE2-CA 3.45Å; E846-S899 WeakPolarHBondContact OE2-CB 3.19Å; E846-S899 PolarHBondContact OE2-OG 3.36Å; E846-L900 PolarHBondContact OE1-N 3.06Å; E846-W902 PolarHBondContact OE1-NE1 2.84Å
847	R	85.6	Confident	86.6	Confident	92 Å²	92	54 Å²	54	35%	0.347	26%	0.255	S	S	.	.			trans	61.1	29.4	175.3	-51.2	-168.5	-70.7	166.6	-3.8	113.3	Q849 L852 D856 G896	R847-Q849 PolarHBondContact O-N 3.42Å; R847-L852 HydrophobicContact CB-CD1 3.79Å; R847-L852 WeakPolarHBondContact O-CD1 3.35Å; R847-D856 IonicContact CZ-OD1 2.61Å; R847-D856 IonicContact CZ-OD2 2.63Å; R847-D856 IonicContact NE-OD1 2.78Å; R847-D856 IonicContact NE-OD2 3.51Å; R847-D856 PolarHBondContact NE-OD2 3.3Å; R847-D856 IonicContact NH2-OD1 3.68Å; R847-D856 PolarHBondContact NH2-OD1 3.03Å; R847-D856 IonicContact NH2-OD2 2.75Å; R847-D856 PolarHBondContact NH2-OD2 3.14Å; R847-G896 PolarHBondContact N-O 3.45Å
848	V	83.3	Confident	86.8	Confident	35 Å²	35	52.9 Å²	52.9	21%	0.212	25%	0.249	C	C	.	.			trans	-76.6	88.7	174.3	-175.1	0	0	0	0	108.5	F845 E846 F855 L879 G896	F845-V848 HydrophobicContact CB-CG2 3.54Å; E846-V848 PolarHBondContact O-N 3.11Å; V848-F855 HydrophobicContact CG2-CB 4.28Å; V848-L879 HydrophobicContact CG1-CD2 3.96Å; V848-G896 PolarHBondContact N-O 2.89Å
849	Q	80.6	Confident	87.1	Confident	83 Å²	83	47.5 Å²	47.5	39%	0.388	22%	0.22	S	C	.	.			trans	-138	142.6	-180	-164.2	170.6	13.1	0	0	111.1	R847 H851 L852 V897	R847-Q849 PolarHBondContact O-N 3.42Å; Q849-H851 PolarHBondContact NE2-NE2 2.66Å; Q849-H851 PolarHBondContact O-N 2.73Å; Q849-H851 PolarHBondContact OE1-CE1 3.26Å; Q849-H851 PolarHBondContact OE1-NE2 3.21Å; Q849-L852 HydrophobicContact CB-CD1 4.44Å; Q849-L852 PolarHBondContact O-N 3.35Å; Q849-V897 HydrophobicContact CB-CG1 4.41Å; Q849-V897 HydrophobicContact CG-CG1 4.47Å
850	F	72.5	Confident	87.2	Confident	217 Å²	217	44.1 Å²	44.1	95%	0.952	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.9	-171.5	-168	-99.2	0	0	0	114.9
851	H	81.1	Confident	87.3	Confident	130 Å²	130	44.1 Å²	44.1	60%	0.602	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-8.6	179.4	60	59.4	0	0	0	114.6	Q849	Q849-H851 PolarHBondContact NE2-NE2 2.66Å; Q849-H851 PolarHBondContact O-N 2.73Å; Q849-H851 PolarHBondContact OE1-CE1 3.26Å; Q849-H851 PolarHBondContact OE1-NE2 3.21Å
852	L	83	Confident	87.3	Confident	64 Å²	64	47.5 Å²	47.5	34%	0.335	22%	0.218	S	C	.	.			trans	-92.5	132.2	177	-66.1	178.5	0	0	0	109.7	R847 Q849 N854 V876	R847-L852 HydrophobicContact CB-CD1 3.79Å; R847-L852 WeakPolarHBondContact O-CD1 3.35Å; Q849-L852 HydrophobicContact CB-CD1 4.44Å; Q849-L852 PolarHBondContact O-N 3.35Å; L852-N854 VanDerWaalsContact C-N 3.33Å; L852-V876 WeakPolarHBondContact O-CG2 3.42Å
853	K	85.2	Confident	87	Confident	183 Å²	183	51.2 Å²	51.2	80%	0.796	24%	0.238	S	C	*	.	S	Bend	trans	-78.3	-22.7	175.7	-69.8	-173.9	177.3	-177.8	0	113.1	V876	K853-V876 VanDerWaalsContact O-CG2 3.31Å; K853-V876 WeakPolarHBondContact O-CG2 2.94Å; K853-V876 PolarHBondContact O-N 3.41Å
854	N	89.1	Confident	86.4	Confident	74 Å²	74	52.2 Å²	52.2	40%	0.396	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.8	-177.9	-57.8	-17.4	0	0	0	109.7	L852 V874	L852-N854 VanDerWaalsContact C-N 3.33Å; N854-V874 CarbonylContact C-O 3.52Å; N854-V874 WeakPolarHBondContact CA-O 3.38Å
855	F	91.2	Very high	85.7	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	172.1	173.3	68.1	-85.6	0	0	0	109.8	F845 E846 V848 V857 A873 V874 P875 V876 L879 I882	F845-F855 AromaticContact CD1-CD2 3.97Å; F845-F855 HydrophobicContact CD1-CD2 3.97Å; F845-F855 AromaticContact CD1-CE2 3.54Å; F845-F855 HydrophobicContact CD1-CE2 3.54Å; F845-F855 AromaticContact CE1-CE2 3.88Å; F845-F855 HydrophobicContact CE1-CE2 3.88Å; F845-F855 HydrophobicContact CG-CE2 4.5Å; E846-F855 WeakPolarHBondContact O-CB 3.05Å; V848-F855 HydrophobicContact CG2-CB 4.28Å; F855-V857 HydrophobicContact CD2-CG2 4.21Å; F855-V857 HydrophobicContact CE2-CG2 3.63Å; F855-A873 PolarHBondContact O-N 2.93Å; F855-V874 HydrophobicContact CD1-CB 4.37Å; F855-V874 HydrophobicContact CD1-CG1 4.5Å; F855-V874 VanDerWaalsContact CD1-O 3.25Å; F855-V874 WeakPolarHBondContact CD1-O 3.09Å; F855-V874 HydrophobicContact CD2-CB 4.42Å; F855-V874 HydrophobicContact CE1-CB 4.05Å; F855-V874 HydrophobicContact CE1-CG1 3.71Å; F855-V874 HydrophobicContact CE2-CB 4.08Å; F855-V874 HydrophobicContact CE2-CG1 4.02Å; F855-V874 HydrophobicContact CZ-CB 3.89Å; F855-V874 HydrophobicContact CZ-CG1 3.42Å; F855-V874 VanDerWaalsContact CZ-CG1 3.42Å; F855-V874 PolarHBondContact N-O 3.17Å; F855-V874 PolarHBondContact O-N 2.93Å; F855-P875 VanDerWaalsContact CE1-O 3.29Å; F855-P875 WeakPolarHBondContact CE1-O 3.26Å; F855-V876 HydrophobicContact CD1-CG2 3.95Å; F855-L879 HydrophobicContact CD1-CD1 4.35Å; F855-L879 HydrophobicContact CD2-CD1 4.11Å; F855-L879 HydrophobicContact CE1-CB 3.74Å; F855-L879 HydrophobicContact CE1-CD1 3.89Å; F855-L879 HydrophobicContact CE1-CG 4.38Å; F855-L879 HydrophobicContact CE2-CD1 3.64Å; F855-L879 HydrophobicContact CG-CD1 4.45Å; F855-L879 HydrophobicContact CZ-CB 3.94Å; F855-L879 HydrophobicContact CZ-CD1 3.52Å; F855-L879 HydrophobicContact CZ-CG 4.35Å; F855-I882 HydrophobicContact CZ-CD1 4.17Å
856	D	91.5	Very high	85.3	Confident	9 Å²	9	60.1 Å²	60.1	5%	0.048	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151.6	176.4	-61.7	-20.9	0	0	0	111.6	F845 E846 R847 I871 N872 A873	F845-D856 CarbonylContact C-O 3.58Å; F845-D856 WeakPolarHBondContact CA-O 3.37Å; E846-D856 HydrophobicContact CB-CB 4.29Å; E846-D856 PolarHBondContact N-O 3.37Å; E846-D856 PolarHBondContact O-N 2.98Å; R847-D856 IonicContact CZ-OD1 2.61Å; R847-D856 IonicContact CZ-OD2 2.63Å; R847-D856 IonicContact NE-OD1 2.78Å; R847-D856 IonicContact NE-OD2 3.51Å; R847-D856 PolarHBondContact NE-OD2 3.3Å; R847-D856 IonicContact NH2-OD1 3.68Å; R847-D856 PolarHBondContact NH2-OD1 3.03Å; R847-D856 IonicContact NH2-OD2 2.75Å; R847-D856 PolarHBondContact NH2-OD2 3.14Å; D856-I871 WeakPolarHBondContact CA-O 3.28Å; D856-N872 VanDerWaalsContact OD1-CA 3.22Å; D856-N872 WeakPolarHBondContact OD1-CA 3.05Å; D856-A873 PolarHBondContact OD1-N 2.73Å
857	V	91.1	Very high	85	Confident	6 Å²	6	68.9 Å²	68.9	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121	178.3	-173.2	0	0	0	0	109	V843 F845 F855 I859 M870 I871 V874	V843-V857 HydrophobicContact CG1-CG1 3.41Å; V843-V857 VanDerWaalsContact CG1-CG1 3.41Å; F845-V857 HydrophobicContact CD1-CB 4.46Å; F845-V857 HydrophobicContact CD1-CG1 4.29Å; F845-V857 HydrophobicContact CD1-CG2 3.88Å; F845-V857 HydrophobicContact CE1-CG1 4.09Å; F845-V857 HydrophobicContact CE1-CG2 3.86Å; F855-V857 HydrophobicContact CD2-CG2 4.21Å; F855-V857 HydrophobicContact CE2-CG2 3.63Å; V857-I859 HydrophobicContact CG1-CG1 4.46Å; V857-M870 CarbonylContact O-C 3.55Å; V857-M870 WeakPolarHBondContact O-CA 3.47Å; V857-I871 HydrophobicContact CB-CB 4.21Å; V857-I871 PolarHBondContact N-O 2.89Å; V857-I871 PolarHBondContact O-N 3.22Å; V857-V874 HydrophobicContact CG2-CB 4.47Å; V857-V874 HydrophobicContact CG2-CG2 3.9Å
858	V	91.5	Very high	85.2	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.9	177.4	-176.2	0	0	0	0	108.8	V843 H844 E846 V860 V868 M870 W902	V843-V858 CarbonylContact C-O 3.54Å; V843-V858 VanDerWaalsContact CA-O 3.27Å; V843-V858 WeakPolarHBondContact CA-O 3.49Å; H844-V858 HydrophobicContact CB-CB 4.08Å; H844-V858 PolarHBondContact N-O 2.74Å; H844-V858 WeakPolarHBondContact O-CA 3.49Å; H844-V858 VanDerWaalsContact O-CB 3.29Å; H844-V858 WeakPolarHBondContact O-CB 3.28Å; H844-V858 WeakPolarHBondContact O-CG2 3.36Å; H844-V858 PolarHBondContact O-N 3.14Å; E846-V858 HydrophobicContact CG-CG2 3.73Å; V858-V860 HydrophobicContact CG1-CG2 4.21Å; V858-V868 HydrophobicContact CG1-CG1 3.26Å; V858-M870 HydrophobicContact CB-CE 4.43Å; V858-M870 HydrophobicContact CB-SD 3.9Å; V858-M870 HydrophobicContact CG1-SD 3.58Å; V858-M870 VanDerWaalsContact CG1-SD 3.58Å; V858-M870 HydrophobicContact CG2-CE 3.35Å; V858-M870 HydrophobicContact CG2-SD 3.44Å; V858-M870 WeakPolarHBondContact CG2-SD 3.37Å; V858-W902 HydrophobicContact CB-CZ2 4.25Å; V858-W902 HydrophobicContact CG1-CD2 3.97Å; V858-W902 HydrophobicContact CG1-CE3 4.48Å; V858-W902 HydrophobicContact CG1-CG 4.44Å; V858-W902 HydrophobicContact CG1-CH2 4.29Å; V858-W902 HydrophobicContact CG1-CZ2 3.78Å; V858-W902 HydrophobicContact CG2-CZ2 4.21Å
859	I	91.3	Very high	85.5	Confident	7 Å²	7	65.6 Å²	65.6	4%	0.036	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	110.9	177.2	-56.5	177.1	0	0	0	108.5	L824 F833 V835 V840 V857 Y861 V868 T869 I871	L824-I859 HydrophobicContact CD2-CD1 4.46Å; F833-I859 HydrophobicContact CZ-CD1 4.41Å; V835-I859 HydrophobicContact CG1-CD1 4.17Å; V835-I859 HydrophobicContact CG1-CG2 4.16Å; V835-I859 HydrophobicContact CG2-CD1 4.28Å; V840-I859 HydrophobicContact CB-CG2 4.34Å; V840-I859 HydrophobicContact CG1-CG2 3.85Å; V840-I859 HydrophobicContact CG2-CG2 3.6Å; V857-I859 HydrophobicContact CG1-CG1 4.46Å; I859-Y861 HydrophobicContact CG2-CE1 4.31Å; I859-V868 VanDerWaalsContact O-CG1 3.3Å; I859-V868 WeakPolarHBondContact O-CG1 3.33Å; I859-T869 PolarHBondContact N-O 3.18Å; I859-T869 PolarHBondContact O-N 2.84Å; I859-I871 HydrophobicContact CD1-CD1 3.75Å
860	V	89.5	Confident	85.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.7	176	-179.4	0	0	0	0	108.8	E841 L842 V858 Y864 V868 W902 M906 W922	E841-V860 PolarHBondContact N-O 3.25Å; L842-V860 HydrophobicContact CD1-CB 3.96Å; L842-V860 HydrophobicContact CD1-CG2 3.63Å; L842-V860 HydrophobicContact CG-CB 3.87Å; L842-V860 HydrophobicContact CG-CG1 4.38Å; L842-V860 HydrophobicContact CG-CG2 4.1Å; L842-V860 PolarHBondContact N-O 2.78Å; L842-V860 PolarHBondContact O-N 3Å; V858-V860 HydrophobicContact CG1-CG2 4.21Å; V860-Y864 HydrophobicContact CG1-CE1 4.4Å; V860-V868 HydrophobicContact CG2-CG1 4.31Å; V860-V868 HydrophobicContact CG2-CG2 4.44Å; V860-W902 HydrophobicContact CG2-CE3 4.33Å; V860-W902 HydrophobicContact CG2-CH2 4.33Å; V860-W902 HydrophobicContact CG2-CZ3 3.85Å; V860-M906 HydrophobicContact CG1-CE 4.42Å; V860-W922 HydrophobicContact CG1-CH2 3.74Å; V860-W922 HydrophobicContact CG1-CZ2 3.8Å; V860-W922 HydrophobicContact CG2-CH2 4.35Å
861	Y	90.2	Very high	86.8	Confident	8 Å²	8	53.8 Å²	53.8	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	156.8	-178	-63.4	-80.7	0	0	0	112.2	V835 E839 I859 D863 K866 K867 T869	V835-Y861 HydrophobicContact CG1-CE1 4.12Å; V835-Y861 WeakPolarHBondContact CG2-OH 3.35Å; E839-Y861 HydrophobicContact CB-CD1 4.25Å; E839-Y861 CarbonylContact O-C 3.58Å; E839-Y861 VanDerWaalsContact O-CA 3.28Å; E839-Y861 WeakPolarHBondContact O-CA 3.49Å; I859-Y861 HydrophobicContact CG2-CE1 4.31Å; Y861-D863 PolarHBondContact O-N 3.02Å; Y861-K866 HydrophobicContact CD1-CD 3.92Å; Y861-K866 HydrophobicContact CD2-CB 4.4Å; Y861-K866 HydrophobicContact CD2-CD 3.8Å; Y861-K866 HydrophobicContact CD2-CG 3.95Å; Y861-K866 HydrophobicContact CE1-CD 4.24Å; Y861-K866 HydrophobicContact CE2-CD 4.16Å; Y861-K866 HydrophobicContact CE2-CG 4.37Å; Y861-K866 HydrophobicContact CG-CD 3.69Å; Y861-K866 HydrophobicContact CG-CG 4.26Å; Y861-K867 WeakPolarHBondContact CE2-O 3.39Å; Y861-T869 HydrophobicContact CE2-CG2 3.92Å; Y861-T869 WeakPolarHBondContact CE2-OG1 3.5Å; Y861-T869 WeakPolarHBondContact OH-CG2 3.48Å; Y861-T869 PolarHBondContact OH-OG1 2.8Å
862	K	84.7	Confident	87.3	Confident	79 Å²	79	50.5 Å²	50.5	34%	0.343	25%	0.251	S	S	.	.	S	Bend	trans	-60.5	-34.5	171.7	-63.5	-173.2	170.1	170.3	0	112.5	D838 E839 V840 E841	D838-K862 VanDerWaalsContact O-CD 3.27Å; D838-K862 WeakPolarHBondContact O-CD 3.44Å; D838-K862 WeakPolarHBondContact O-CE 3.29Å; D838-K862 PolarHBondContact O-NZ 3.21Å; E839-K862 WeakPolarHBondContact O-CG 3.44Å; E839-K862 PolarHBondContact O-N 3.1Å; V840-K862 VanDerWaalsContact O-CE 3.23Å; V840-K862 WeakPolarHBondContact O-CE 3.49Å; E841-K862 HydrophobicContact CB-CG 4.06Å; E841-K862 WeakPolarHBondContact OE2-CG 3.49Å
863	D	81.8	Confident	87.6	Confident	80 Å²	80	48.9 Å²	48.9	43%	0.428	25%	0.247	S	C	.	.	S	Bend	trans	-88.8	101.4	172.3	-177.4	-4.3	0	0	0	109.4	Y861 S865 K866	Y861-D863 PolarHBondContact O-N 3.02Å; D863-S865 PolarHBondContact O-N 3.23Å; D863-S865 VanDerWaalsContact O-N 3.15Å; D863-S865 VanDerWaalsContact OD1-CB 3.26Å; D863-S865 WeakPolarHBondContact OD1-CB 3.45Å; D863-S865 PolarHBondContact OD1-N 2.85Å; D863-S865 PolarHBondContact OD1-OG 2.76Å; D863-S865 PolarHBondContact OD2-OG 2.82Å; D863-K866 HydrophobicContact CB-CB 4.43Å; D863-K866 VanDerWaalsContact O-CB 3.3Å; D863-K866 WeakPolarHBondContact O-CB 3.02Å; D863-K866 PolarHBondContact O-N 2.96Å
864	Y	79.7	Confident	87.8	Confident	25 Å²	25	40.1 Å²	40.1	10%	0.098	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.9	-179.9	-57.3	-54.1	0	0	0	113.9	L493 V860 K866 M906 I909 W922	L493-Y864 HydrophobicContact CD1-CE2 4.06Å; V860-Y864 HydrophobicContact CG1-CE1 4.4Å; Y864-K866 VanDerWaalsContact C-N 3.34Å; Y864-M906 HydrophobicContact CD1-SD 4.37Å; Y864-I909 HydrophobicContact CD1-CG2 4.41Å; Y864-I909 HydrophobicContact CD2-CG2 3.95Å; Y864-I909 HydrophobicContact CE2-CG2 4.2Å; Y864-I909 HydrophobicContact CG-CG2 4.05Å; Y864-W922 AromaticContact CE1-CZ2 3.88Å; Y864-W922 HydrophobicContact CE1-CZ2 3.88Å
865	S	76.4	Confident	87.8	Confident	95 Å²	95	38.4 Å²	38.4	66%	0.664	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-24.2	171.3	79	0	0	0	0	112.5	D863	D863-S865 PolarHBondContact O-N 3.23Å; D863-S865 VanDerWaalsContact O-N 3.15Å; D863-S865 VanDerWaalsContact OD1-CB 3.26Å; D863-S865 WeakPolarHBondContact OD1-CB 3.45Å; D863-S865 PolarHBondContact OD1-N 2.85Å; D863-S865 PolarHBondContact OD1-OG 2.76Å; D863-S865 PolarHBondContact OD2-OG 2.82Å
866	K	81.4	Confident	87.6	Confident	74 Å²	74	41.1 Å²	41.1	32%	0.322	22%	0.218	S	C	.	.	S	Bend	trans	-74	132	174.6	-171.4	176.3	176.5	-171.1	0	109.1	E839 Y861 D863 Y864 V868	E839-K866 IonicContact OE2-NZ 2.74Å; E839-K866 PolarHBondContact OE2-NZ 3.15Å; Y861-K866 HydrophobicContact CD1-CD 3.92Å; Y861-K866 HydrophobicContact CD2-CB 4.4Å; Y861-K866 HydrophobicContact CD2-CD 3.8Å; Y861-K866 HydrophobicContact CD2-CG 3.95Å; Y861-K866 HydrophobicContact CE1-CD 4.24Å; Y861-K866 HydrophobicContact CE2-CD 4.16Å; Y861-K866 HydrophobicContact CE2-CG 4.37Å; Y861-K866 HydrophobicContact CG-CD 3.69Å; Y861-K866 HydrophobicContact CG-CG 4.26Å; D863-K866 HydrophobicContact CB-CB 4.43Å; D863-K866 VanDerWaalsContact O-CB 3.3Å; D863-K866 WeakPolarHBondContact O-CB 3.02Å; D863-K866 PolarHBondContact O-N 2.96Å; Y864-K866 VanDerWaalsContact C-N 3.34Å; K866-V868 PolarHBondContact O-N 3.39Å
867	K	85	Confident	87.4	Confident	185 Å²	185	47.8 Å²	47.8	80%	0.804	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-63.3	133.4	176.4	-67.8	-174.3	177.9	-177.3	0	110.2	Y861	Y861-K867 WeakPolarHBondContact CE2-O 3.39Å
868	V	88.3	Confident	87.2	Confident	26 Å²	26	48.8 Å²	48.8	16%	0.158	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-56.7	139.6	171.9	179.5	0	0	0	0	109.9	V858 I859 V860 K866 M870 W902 M906	V858-V868 HydrophobicContact CG1-CG1 3.26Å; I859-V868 VanDerWaalsContact O-CG1 3.3Å; I859-V868 WeakPolarHBondContact O-CG1 3.33Å; V860-V868 HydrophobicContact CG2-CG1 4.31Å; V860-V868 HydrophobicContact CG2-CG2 4.44Å; K866-V868 PolarHBondContact O-N 3.39Å; V868-M870 HydrophobicContact CG1-SD 4.33Å; V868-W902 HydrophobicContact CB-CB 4.5Å; V868-W902 HydrophobicContact CG1-CD2 4.48Å; V868-W902 HydrophobicContact CG1-CG 4.4Å; V868-W902 HydrophobicContact CG2-CB 4.49Å; V868-M906 HydrophobicContact CG2-CE 4.1Å; V868-M906 HydrophobicContact CG2-CG 3.77Å; V868-M906 HydrophobicContact CG2-SD 3.76Å
869	T	89.8	Confident	86.9	Confident	32 Å²	32	49.7 Å²	49.7	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.8	177	46.1	0	0	0	0	110.5	I859 Y861	I859-T869 PolarHBondContact N-O 3.18Å; I859-T869 PolarHBondContact O-N 2.84Å; Y861-T869 HydrophobicContact CE2-CG2 3.92Å; Y861-T869 WeakPolarHBondContact CE2-OG1 3.5Å; Y861-T869 WeakPolarHBondContact OH-CG2 3.48Å; Y861-T869 PolarHBondContact OH-OG1 2.8Å
870	M	90.1	Very high	86.7	Confident	52 Å²	52	54.4 Å²	54.4	26%	0.256	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.2	179.6	-50.4	-71	-75.1	0	0	109.1	E846 V857 V858 V868	E846-M870 WeakPolarHBondContact OE2-CE 3.06Å; V857-M870 CarbonylContact O-C 3.55Å; V857-M870 WeakPolarHBondContact O-CA 3.47Å; V858-M870 HydrophobicContact CB-CE 4.43Å; V858-M870 HydrophobicContact CB-SD 3.9Å; V858-M870 HydrophobicContact CG1-SD 3.58Å; V858-M870 VanDerWaalsContact CG1-SD 3.58Å; V858-M870 HydrophobicContact CG2-CE 3.35Å; V858-M870 HydrophobicContact CG2-SD 3.44Å; V858-M870 WeakPolarHBondContact CG2-SD 3.37Å; V868-M870 HydrophobicContact CG1-SD 4.33Å
871	I	91.8	Very high	86.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111	169.2	-55.8	161.2	0	0	0	106.7	F806 P810 L817 L824 F833 D856 V857 I859 V874	F806-I871 HydrophobicContact CE2-CG2 4.49Å; P810-I871 HydrophobicContact CB-CG1 4.38Å; L817-I871 HydrophobicContact CD1-CG2 4.15Å; L817-I871 HydrophobicContact CD2-CD1 3.67Å; L817-I871 HydrophobicContact CD2-CG1 4.15Å; L817-I871 HydrophobicContact CD2-CG2 4.16Å; L824-I871 HydrophobicContact CD2-CD1 3.95Å; F833-I871 HydrophobicContact CE1-CD1 4.08Å; F833-I871 HydrophobicContact CE1-CG1 4.35Å; F833-I871 HydrophobicContact CZ-CD1 3.95Å; F833-I871 HydrophobicContact CZ-CG1 3.89Å; D856-I871 WeakPolarHBondContact CA-O 3.28Å; V857-I871 HydrophobicContact CB-CB 4.21Å; V857-I871 PolarHBondContact N-O 2.89Å; V857-I871 PolarHBondContact O-N 3.22Å; I859-I871 HydrophobicContact CD1-CD1 3.75Å; I871-V874 HydrophobicContact CG2-CG2 3.86Å
872	N	91.1	Very high	86.3	Confident	60 Å²	60	58 Å²	58	32%	0.321	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	163.4	-174.6	-60.6	-30.7	0	0	0	111.9	A809 D856 V874	A809-N872 HydrophobicContact CB-CB 4.34Å; A809-N872 WeakPolarHBondContact CB-O 3.45Å; A809-N872 PolarHBondContact N-O 2.92Å; A809-N872 PolarHBondContact O-N 2.71Å; D856-N872 VanDerWaalsContact OD1-CA 3.22Å; D856-N872 WeakPolarHBondContact OD1-CA 3.05Å; N872-V874 PolarHBondContact O-N 3.4Å
873	A	88.6	Confident	86.4	Confident	30 Å²	30	55.4 Å²	55.4	25%	0.248	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.4	41.5	166.9	0	0	0	0	0	114.4	F855 D856	F855-A873 PolarHBondContact O-N 2.93Å; D856-A873 PolarHBondContact OD1-N 2.73Å
874	V	90.3	Very high	86.6	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129	175.9	-177.9	0	0	0	0	109.8	F806 N854 F855 V857 I871 N872 I882	F806-V874 HydrophobicContact CD2-CG1 3.85Å; F806-V874 HydrophobicContact CD2-CG2 4.34Å; F806-V874 HydrophobicContact CE2-CG1 4.2Å; F806-V874 HydrophobicContact CE2-CG2 4.07Å; N854-V874 CarbonylContact C-O 3.52Å; N854-V874 WeakPolarHBondContact CA-O 3.38Å; F855-V874 HydrophobicContact CD1-CB 4.37Å; F855-V874 HydrophobicContact CD1-CG1 4.5Å; F855-V874 VanDerWaalsContact CD1-O 3.25Å; F855-V874 WeakPolarHBondContact CD1-O 3.09Å; F855-V874 HydrophobicContact CD2-CB 4.42Å; F855-V874 HydrophobicContact CE1-CB 4.05Å; F855-V874 HydrophobicContact CE1-CG1 3.71Å; F855-V874 HydrophobicContact CE2-CB 4.08Å; F855-V874 HydrophobicContact CE2-CG1 4.02Å; F855-V874 HydrophobicContact CZ-CB 3.89Å; F855-V874 HydrophobicContact CZ-CG1 3.42Å; F855-V874 VanDerWaalsContact CZ-CG1 3.42Å; F855-V874 PolarHBondContact N-O 3.17Å; F855-V874 PolarHBondContact O-N 2.93Å; V857-V874 HydrophobicContact CG2-CB 4.47Å; V857-V874 HydrophobicContact CG2-CG2 3.9Å; I871-V874 HydrophobicContact CG2-CG2 3.86Å; N872-V874 PolarHBondContact O-N 3.4Å; V874-I882 HydrophobicContact CG1-CD1 3.69Å
875	P	89.6	Confident	86.8	Confident	37 Å²	37	56.3 Å²	56.3	24%	0.24	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135	179.2	-22.3	32.4	0	0	0	112.5	Q807 F855 N877 S878	Q807-P875 WeakPolarHBondContact O-CD 3.34Å; F855-P875 VanDerWaalsContact CE1-O 3.29Å; F855-P875 WeakPolarHBondContact CE1-O 3.26Å; P875-N877 PolarHBondContact O-N 3.27Å; P875-N877 VanDerWaalsContact O-N 3.11Å; P875-S878 WeakPolarHBondContact O-CB 3.37Å; P875-S878 PolarHBondContact O-N 2.94Å
876	V	86.1	Confident	87.2	Confident	59 Å²	59	52 Å²	52	36%	0.358	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-57.3	-29.5	179.3	170.1	0	0	0	0	113.3	L852 K853 F855 S878 L879	L852-V876 WeakPolarHBondContact O-CG2 3.42Å; K853-V876 VanDerWaalsContact O-CG2 3.31Å; K853-V876 WeakPolarHBondContact O-CG2 2.94Å; K853-V876 PolarHBondContact O-N 3.41Å; F855-V876 HydrophobicContact CD1-CG2 3.95Å; V876-S878 PolarHBondContact O-N 3.34Å; V876-S878 VanDerWaalsContact O-N 3.14Å; V876-L879 WeakPolarHBondContact O-CB 3.37Å; V876-L879 PolarHBondContact O-N 3.01Å
877	N	87.4	Confident	87.3	Confident	149 Å²	149	49.2 Å²	49.2	80%	0.797	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-60.4	-24.3	175.8	-61.5	1.6	0	0	0	112.9	P875	P875-N877 PolarHBondContact O-N 3.27Å; P875-N877 VanDerWaalsContact O-N 3.11Å
878	S	86	Confident	87.1	Confident	27 Å²	27	44.4 Å²	44.4	19%	0.189	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-90.2	-1.9	178.1	-58.6	0	0	0	0	113.1	P875 V876 P881 I882	P875-S878 WeakPolarHBondContact O-CB 3.37Å; P875-S878 PolarHBondContact O-N 2.94Å; V876-S878 PolarHBondContact O-N 3.34Å; V876-S878 VanDerWaalsContact O-N 3.14Å; S878-P881 WeakPolarHBondContact O-CD 3.34Å; S878-I882 WeakPolarHBondContact O-CB 3.42Å; S878-I882 VanDerWaalsContact O-CD1 3.28Å; S878-I882 WeakPolarHBondContact O-CD1 3.24Å; S878-I882 WeakPolarHBondContact O-CG1 3.32Å; S878-I882 PolarHBondContact O-N 3.48Å
879	L	86.3	Confident	86.6	Confident	18 Å²	18	45.2 Å²	45.2	9%	0.094	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-52.5	-177.9	-176.5	66.1	0	0	0	112.4	F845 V848 F855 V876 I882 K883	F845-L879 HydrophobicContact CD1-CD1 4.26Å; F845-L879 HydrophobicContact CE1-CD1 4.43Å; F845-L879 HydrophobicContact CG-CD1 4.31Å; V848-L879 HydrophobicContact CG1-CD2 3.96Å; F855-L879 HydrophobicContact CD1-CD1 4.35Å; F855-L879 HydrophobicContact CD2-CD1 4.11Å; F855-L879 HydrophobicContact CE1-CB 3.74Å; F855-L879 HydrophobicContact CE1-CD1 3.89Å; F855-L879 HydrophobicContact CE1-CG 4.38Å; F855-L879 HydrophobicContact CE2-CD1 3.64Å; F855-L879 HydrophobicContact CG-CD1 4.45Å; F855-L879 HydrophobicContact CZ-CB 3.94Å; F855-L879 HydrophobicContact CZ-CD1 3.52Å; F855-L879 HydrophobicContact CZ-CG 4.35Å; V876-L879 WeakPolarHBondContact O-CB 3.37Å; V876-L879 PolarHBondContact O-N 3.01Å; L879-I882 PolarHBondContact O-N 3.01Å; L879-K883 HydrophobicContact CG-CD 4.31Å; L879-K883 WeakPolarHBondContact O-CG 3.38Å; L879-K883 PolarHBondContact O-N 2.63Å
880	D	85.9	Confident	86.2	Confident	106 Å²	106	48.5 Å²	48.5	57%	0.567	28%	0.276	S	S	*	.	H	α-helix	trans	-66.4	-44.1	-179	-66.2	-34.7	0	0	0	112.8	I882 K883 E884	D880-I882 VanDerWaalsContact C-N 3.33Å; D880-I882 PolarHBondContact O-N 3.38Å; D880-K883 PolarHBondContact O-N 3.33Å; D880-E884 PolarHBondContact O-N 2.62Å
881	P	86.1	Confident	85.9	Confident	78 Å²	78	46.6 Å²	46.6	51%	0.506	27%	0.267	S	S	.	.	H	α-helix	trans	-56	-43.1	171.1	-28.1	34.6	0	0	0	113.7	S878 E884 W885	S878-P881 WeakPolarHBondContact O-CD 3.34Å; P881-E884 PolarHBondContact O-N 3.32Å; P881-W885 WeakPolarHBondContact O-CB 3.49Å; P881-W885 PolarHBondContact O-N 3.41Å
882	I	86.6	Confident	85.6	Confident	5 Å²	5	48 Å²	48	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-67.4	-40.5	179	-66.3	164.9	0	0	0	110.5	F806 F845 F855 V874 S878 L879 D880 W885 L886	F806-I882 HydrophobicContact CB-CD1 4.33Å; F806-I882 HydrophobicContact CD1-CD1 3.82Å; F806-I882 HydrophobicContact CD1-CG1 3.78Å; F806-I882 HydrophobicContact CD2-CD1 3.72Å; F806-I882 HydrophobicContact CE1-CD1 3.97Å; F806-I882 HydrophobicContact CE1-CG1 3.94Å; F806-I882 HydrophobicContact CE2-CD1 3.87Å; F806-I882 HydrophobicContact CG-CD1 3.69Å; F806-I882 HydrophobicContact CG-CG1 4.11Å; F806-I882 HydrophobicContact CZ-CD1 3.99Å; F806-I882 HydrophobicContact CZ-CG1 4.4Å; F845-I882 HydrophobicContact CE1-CG2 3.89Å; F845-I882 HydrophobicContact CZ-CG2 3.85Å; F855-I882 HydrophobicContact CZ-CD1 4.17Å; V874-I882 HydrophobicContact CG1-CD1 3.69Å; S878-I882 WeakPolarHBondContact O-CB 3.42Å; S878-I882 VanDerWaalsContact O-CD1 3.28Å; S878-I882 WeakPolarHBondContact O-CD1 3.24Å; S878-I882 WeakPolarHBondContact O-CG1 3.32Å; S878-I882 PolarHBondContact O-N 3.48Å; L879-I882 PolarHBondContact O-N 3.01Å; D880-I882 VanDerWaalsContact C-N 3.33Å; D880-I882 PolarHBondContact O-N 3.38Å; I882-W885 HydrophobicContact CG2-CE3 4.24Å; I882-W885 PolarHBondContact O-N 3.1Å; I882-L886 HydrophobicContact CG2-CD1 4.17Å; I882-L886 HydrophobicContact CG2-CG 4.37Å; I882-L886 VanDerWaalsContact O-CG 3.3Å; I882-L886 WeakPolarHBondContact O-CG 3.3Å; I882-L886 PolarHBondContact O-N 3.5Å
883	K	86.8	Confident	85.4	Confident	26 Å²	26	46.4 Å²	46.4	11%	0.113	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-44	174.7	-73.8	175.4	-175.7	-178.7	0	112	F845 L879 D880 W885 L886 N887 Y893 E895	F845-K883 HydrophobicContact CE2-CG 3.79Å; F845-K883 HydrophobicContact CZ-CG 4.11Å; L879-K883 HydrophobicContact CG-CD 4.31Å; L879-K883 WeakPolarHBondContact O-CG 3.38Å; L879-K883 PolarHBondContact O-N 2.63Å; D880-K883 PolarHBondContact O-N 3.33Å; K883-W885 VanDerWaalsContact C-N 3.33Å; K883-L886 PolarHBondContact O-N 3.27Å; K883-N887 WeakPolarHBondContact O-CB 3.42Å; K883-N887 PolarHBondContact O-N 2.97Å; K883-N887 PolarHBondContact O-ND2 3.08Å; K883-Y893 HydrophobicContact CB-CE1 4.29Å; K883-Y893 HydrophobicContact CB-CE2 4.44Å; K883-Y893 HydrophobicContact CD-CE2 3.98Å; K883-Y893 HydrophobicContact CG-CD2 4.34Å; K883-Y893 HydrophobicContact CG-CE1 4.46Å; K883-Y893 HydrophobicContact CG-CE2 3.84Å; K883-E895 VanDerWaalsContact CE-CD 3.41Å; K883-E895 WeakPolarHBondContact CE-OE1 3.42Å; K883-E895 IonicContact NZ-OE1 3.33Å; K883-E895 PolarHBondContact NZ-OE1 3.37Å; K883-E895 IonicContact NZ-OE2 2.63Å; K883-E895 PolarHBondContact NZ-OE2 3.43Å
884	E	84.4	Confident	85.4	Confident	93 Å²	93	45.2 Å²	45.2	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-40.9	177.2	-166.9	64.3	-140.7	0	0	111	R474 D880 P881 N887 S888	R474-E884 IonicContact CZ-OE2 3.37Å; R474-E884 IonicContact NE-OE2 2.97Å; R474-E884 PolarHBondContact NE-OE2 2.85Å; R474-E884 IonicContact NH2-OE2 3.43Å; R474-E884 PolarHBondContact NH2-OE2 3.36Å; D880-E884 PolarHBondContact O-N 2.62Å; P881-E884 PolarHBondContact O-N 3.32Å; E884-N887 WeakPolarHBondContact O-CB 3.26Å; E884-N887 PolarHBondContact O-N 2.89Å; E884-S888 PolarHBondContact O-N 3.32Å
885	W	84.8	Confident	85.3	Confident	31 Å²	31	48.3 Å²	48.3	12%	0.117	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-46.6	173.8	171.3	63	0	0	0	112.3	P819 L824 L837 P881 I882 K883 N887 S888 C889	P819-W885 HydrophobicContact CB-CZ2 3.78Å; L824-W885 HydrophobicContact CB-CH2 3.94Å; L824-W885 HydrophobicContact CB-CZ2 4.37Å; L824-W885 HydrophobicContact CD1-CH2 3.97Å; L824-W885 HydrophobicContact CD1-CZ2 4.4Å; L824-W885 HydrophobicContact CD2-CH2 3.99Å; L824-W885 HydrophobicContact CD2-CZ3 4.35Å; L824-W885 HydrophobicContact CG-CH2 4.18Å; L837-W885 HydrophobicContact CD1-CZ2 4Å; L837-W885 HydrophobicContact CD2-CH2 3.83Å; L837-W885 HydrophobicContact CD2-CZ2 3.8Å; P881-W885 WeakPolarHBondContact O-CB 3.49Å; P881-W885 PolarHBondContact O-N 3.41Å; I882-W885 HydrophobicContact CG2-CE3 4.24Å; I882-W885 PolarHBondContact O-N 3.1Å; K883-W885 VanDerWaalsContact C-N 3.33Å; W885-N887 VanDerWaalsContact C-N 3.33Å; W885-N887 PolarHBondContact O-N 3.33Å; W885-S888 WeakPolarHBondContact O-CB 3.37Å; W885-S888 PolarHBondContact O-N 2.91Å; W885-S888 VanDerWaalsContact O-N 3.11Å; W885-S888 PolarHBondContact O-OG 3.03Å; W885-C889 PolarHBondContact NE1-SG 3.36Å; W885-C889 PolarHBondContact O-N 3.41Å; W885-C889 PolarHBondContact O-SG 2.96Å
886	L	85	Confident	85	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-38.2	176	-69.4	175	0	0	0	112.5	V843 F845 I882 K883 S888 C889 D890 I891 Y893	V843-L886 HydrophobicContact CB-CD1 3.9Å; V843-L886 HydrophobicContact CG1-CD1 3.82Å; V843-L886 HydrophobicContact CG2-CD1 4.21Å; V843-L886 HydrophobicContact CG2-CD2 3.93Å; F845-L886 HydrophobicContact CE1-CD1 4.44Å; F845-L886 HydrophobicContact CE2-CD1 4.07Å; F845-L886 HydrophobicContact CZ-CD1 3.54Å; I882-L886 HydrophobicContact CG2-CD1 4.17Å; I882-L886 HydrophobicContact CG2-CG 4.37Å; I882-L886 VanDerWaalsContact O-CG 3.3Å; I882-L886 WeakPolarHBondContact O-CG 3.3Å; I882-L886 PolarHBondContact O-N 3.5Å; K883-L886 PolarHBondContact O-N 3.27Å; L886-S888 VanDerWaalsContact C-N 3.33Å; L886-S888 PolarHBondContact O-N 3.46Å; L886-C889 CarbonylContact O-C 3.51Å; L886-C889 PolarHBondContact O-N 2.9Å; L886-D890 PolarHBondContact O-N 3.13Å; L886-I891 HydrophobicContact CD2-CB 4.2Å; L886-I891 HydrophobicContact CD2-CD1 4.17Å; L886-I891 HydrophobicContact CD2-CG2 4.25Å; L886-I891 PolarHBondContact O-N 2.89Å; L886-Y893 HydrophobicContact CB-CD1 4.1Å; L886-Y893 HydrophobicContact CD1-CD1 4.33Å; L886-Y893 HydrophobicContact CD1-CG 4.39Å
887	N	83	Confident	84.8	Confident	16 Å²	16	48.5 Å²	48.5	9%	0.086	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-42.4	171.8	-79.8	-51.4	0	0	0	111.5	Q478 K883 E884 W885 C889 D890 Y893	Q478-N887 PolarHBondContact NE2-OD1 3.39Å; K883-N887 WeakPolarHBondContact O-CB 3.42Å; K883-N887 PolarHBondContact O-N 2.97Å; K883-N887 PolarHBondContact O-ND2 3.08Å; E884-N887 WeakPolarHBondContact O-CB 3.26Å; E884-N887 PolarHBondContact O-N 2.89Å; W885-N887 VanDerWaalsContact C-N 3.33Å; W885-N887 PolarHBondContact O-N 3.33Å; N887-C889 PolarHBondContact O-N 3.47Å; N887-D890 PolarHBondContact O-N 3.41Å; N887-Y893 PolarHBondContact ND2-OH 2.79Å
888	S	80.4	Confident	84.4	Confident	85 Å²	85	48.4 Å²	48.4	59%	0.594	27%	0.265	S	S	*	.	H	α-helix	trans	-68.1	-23.8	177.8	78.9	0	0	0	0	113.5	E884 W885 L886	E884-S888 PolarHBondContact O-N 3.32Å; W885-S888 WeakPolarHBondContact O-CB 3.37Å; W885-S888 PolarHBondContact O-N 2.91Å; W885-S888 VanDerWaalsContact O-N 3.11Å; W885-S888 PolarHBondContact O-OG 3.03Å; L886-S888 VanDerWaalsContact C-N 3.33Å; L886-S888 PolarHBondContact O-N 3.46Å
889	C	78.3	Confident	84.2	Confident	42 Å²	42	51 Å²	51	28%	0.284	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.6	176.8	-62.6	0	0	0	0	113.3	W885 L886 N887 I891	W885-C889 PolarHBondContact NE1-SG 3.36Å; W885-C889 PolarHBondContact O-N 3.41Å; W885-C889 PolarHBondContact O-SG 2.96Å; L886-C889 CarbonylContact O-C 3.51Å; L886-C889 PolarHBondContact O-N 2.9Å; N887-C889 PolarHBondContact O-N 3.47Å; C889-I891 HydrophobicContact CB-CD1 3.97Å; C889-I891 HydrophobicContact CB-CG1 4.02Å; C889-I891 PolarHBondContact O-N 2.76Å
890	D	81.6	Confident	84.1	Confident	101 Å²	101	52.5 Å²	52.5	54%	0.54	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	30.8	-175.2	-62.4	-42.6	0	0	0	113.6	H477 L886 N887	H477-D890 IonicContact CE1-OD1 2.66Å; L886-D890 PolarHBondContact O-N 3.13Å; N887-D890 PolarHBondContact O-N 3.41Å
891	I	83.9	Confident	84.1	Confident	13 Å²	13	52.1 Å²	52.1	7%	0.067	29%	0.289	C	S	.	.			trans	-96.5	127.2	178.4	-60.5	174.9	0	0	0	109.7	Q478 L837 V840 V843 L886 C889 Y893	Q478-I891 PolarHBondContact NE2-O 3.37Å; L837-I891 HydrophobicContact CB-CD1 4.39Å; L837-I891 HydrophobicContact CD2-CD1 4.15Å; V840-I891 HydrophobicContact CB-CD1 4.33Å; V840-I891 HydrophobicContact CG1-CD1 4.38Å; V840-I891 HydrophobicContact CG1-CG2 4.03Å; V843-I891 HydrophobicContact CG2-CG2 3.94Å; L886-I891 HydrophobicContact CD2-CB 4.2Å; L886-I891 HydrophobicContact CD2-CD1 4.17Å; L886-I891 HydrophobicContact CD2-CG2 4.25Å; L886-I891 PolarHBondContact O-N 2.89Å; C889-I891 HydrophobicContact CB-CD1 3.97Å; C889-I891 HydrophobicContact CB-CG1 4.02Å; C889-I891 PolarHBondContact O-N 2.76Å; I891-Y893 PolarHBondContact O-N 2.85Å
892	K	84.7	Confident	84	Confident	28 Å²	28	49.2 Å²	49.2	12%	0.122	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	130.4	173.5	175.2	56.7	175	-178.3	0	109.7	Q478 A482 L485 L842 V843	Q478-K892 WeakPolarHBondContact O-CD 3.49Å; Q478-K892 WeakPolarHBondContact O-CE 3.4Å; Q478-K892 PolarHBondContact O-NZ 2.78Å; A482-K892 HydrophobicContact CB-CD 4.27Å; L485-K892 HydrophobicContact CD1-CB 4.07Å; L842-K892 WeakPolarHBondContact CA-O 3.29Å; V843-K892 PolarHBondContact N-O 2.84Å
893	Y	88.6	Confident	83.9	Confident	27 Å²	27	53.6 Å²	53.6	11%	0.106	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	155.9	169.5	67.3	-93	0	0	0	113.6	Q478 V843 F845 K883 L886 N887 I891	Q478-Y893 HydrophobicContact CG-CE1 4.17Å; V843-Y893 CarbonylContact O-C 3.39Å; V843-Y893 WeakPolarHBondContact O-CA 3.29Å; V843-Y893 WeakPolarHBondContact O-CB 3.12Å; F845-Y893 AromaticContact CD2-CD2 4Å; F845-Y893 HydrophobicContact CD2-CD2 4Å; F845-Y893 HydrophobicContact CD2-CG 4.46Å; F845-Y893 AromaticContact CE2-CD2 3.61Å; F845-Y893 HydrophobicContact CE2-CD2 3.61Å; F845-Y893 HydrophobicContact CE2-CE2 4.39Å; F845-Y893 AromaticContact CE2-CG 3.79Å; F845-Y893 HydrophobicContact CE2-CG 3.79Å; K883-Y893 HydrophobicContact CB-CE1 4.29Å; K883-Y893 HydrophobicContact CB-CE2 4.44Å; K883-Y893 HydrophobicContact CD-CE2 3.98Å; K883-Y893 HydrophobicContact CG-CD2 4.34Å; K883-Y893 HydrophobicContact CG-CE1 4.46Å; K883-Y893 HydrophobicContact CG-CE2 3.84Å; L886-Y893 HydrophobicContact CB-CD1 4.1Å; L886-Y893 HydrophobicContact CD1-CD1 4.33Å; L886-Y893 HydrophobicContact CD1-CG 4.39Å; N887-Y893 PolarHBondContact ND2-OH 2.79Å; I891-Y893 PolarHBondContact O-N 2.85Å
894	T	87.2	Confident	83.8	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.037	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	160.2	176.4	52.6	0	0	0	0	109.7	V843 H844 F845 L925	V843-T894 PolarHBondContact O-N 2.95Å; H844-T894 PolarHBondContact ND1-OG1 2.89Å; F845-T894 WeakPolarHBondContact CD2-O 3.38Å; F845-T894 PolarHBondContact N-O 2.7Å; T894-L925 HydrophobicContact CG2-CB 4.21Å
895	E	87.6	Confident	83.7	Confident	64 Å²	64	56.3 Å²	56.3	30%	0.299	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.4	-176.7	-67.3	172	-134.2	0	0	109.8	F845 K883	F845-E895 HydrophobicContact CB-CG 4.15Å; F845-E895 HydrophobicContact CD2-CG 3.85Å; F845-E895 HydrophobicContact CG-CG 4.46Å; K883-E895 VanDerWaalsContact CE-CD 3.41Å; K883-E895 WeakPolarHBondContact CE-OE1 3.42Å; K883-E895 IonicContact NZ-OE1 3.33Å; K883-E895 PolarHBondContact NZ-OE1 3.37Å; K883-E895 IonicContact NZ-OE2 2.63Å; K883-E895 PolarHBondContact NZ-OE2 3.43Å
896	G	84.6	Confident	83.6	Confident	16 Å²	16	55.7 Å²	55.7	17%	0.165	31%	0.305	C	S	.	.			trans	-139.6	146.5	-178.4	0	0	0	0	0	112.3	F845 E846 R847 V848	F845-G896 PolarHBondContact O-N 2.86Å; E846-G896 CarbonylContact C-O 3.45Å; E846-G896 WeakPolarHBondContact CA-O 3.39Å; R847-G896 PolarHBondContact N-O 3.45Å; V848-G896 PolarHBondContact N-O 2.89Å
897	V	81.8	Confident	83.5	Confident	84 Å²	84	60.7 Å²	60.7	51%	0.509	33%	0.326	S	S	.	.	S	Bend	trans	-84.9	-32.7	175.7	-174.8	0	0	0	0	110.9	Q849	Q849-V897 HydrophobicContact CB-CG1 4.41Å; Q849-V897 HydrophobicContact CG-CG1 4.47Å
898	Q	78.9	Confident	83.4	Confident	147 Å²	147	64.1 Å²	64.1	69%	0.687	35%	0.348	S	S	*	.	S	Bend	trans	-88.9	149.8	-177.4	-59	-175.1	14.3	0	0	111.5
899	S	81.8	Confident	83.4	Confident	81 Å²	81	60.1 Å²	60.1	57%	0.566	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-91	129.9	169	-172.3	0	0	0	0	109.8	E846	E846-S899 WeakPolarHBondContact OE2-CA 3.45Å; E846-S899 WeakPolarHBondContact OE2-CB 3.19Å; E846-S899 PolarHBondContact OE2-OG 3.36Å
900	L	83.9	Confident	83.4	Confident	50 Å²	50	61.8 Å²	61.8	26%	0.262	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-102.3	149.5	-171.4	-67.8	170.2	0	0	0	112.1	E846 W902 I905 F924 L925	E846-L900 PolarHBondContact OE1-N 3.06Å; L900-W902 VanDerWaalsContact C-N 3.34Å; L900-W902 HydrophobicContact CB-CZ2 4.26Å; L900-W902 HydrophobicContact CD1-CH2 4.35Å; L900-W902 HydrophobicContact CD1-CZ2 4.03Å; L900-W902 PolarHBondContact O-N 3.16Å; L900-I905 HydrophobicContact CB-CD1 3.86Å; L900-I905 HydrophobicContact CD1-CD1 4.31Å; L900-I905 HydrophobicContact CG-CD1 4.48Å; L900-F924 HydrophobicContact CD1-CE2 4.31Å; L900-L925 HydrophobicContact CD1-CD2 3.27Å
901	N	85.9	Confident	83.3	Confident	98 Å²	98	63.3 Å²	63.3	52%	0.524	34%	0.337	S	S	.	.			trans	-82	81.6	172.7	-168.1	-26	0	0	0	111.1	T903 K904 I905	N901-T903 PolarHBondContact O-N 3.4Å; N901-T903 VanDerWaalsContact O-N 3.14Å; N901-T903 PolarHBondContact OD1-N 2.86Å; N901-T903 PolarHBondContact OD1-OG1 3.02Å; N901-K904 HydrophobicContact CB-CB 4.39Å; N901-K904 PolarHBondContact O-N 2.68Å; N901-K904 PolarHBondContact OD1-N 3.43Å; N901-I905 WeakPolarHBondContact O-CG1 3.4Å; N901-I905 PolarHBondContact O-N 3.26Å; N901-I905 VanDerWaalsContact O-N 3.14Å
902	W	84.9	Confident	82.9	Confident	18 Å²	18	66.9 Å²	66.9	7%	0.068	36%	0.356	C	S	.	.	H	α-helix	trans	-54.6	-32.5	-179.7	-66.3	100.9	0	0	0	113.8	H844 E846 V858 V860 V868 L900 K904 I905 M906 W922 L925	H844-W902 HydrophobicContact CB-CH2 4.06Å; H844-W902 HydrophobicContact CB-CZ2 4.09Å; H844-W902 AromaticContact CD2-CZ2 3.64Å; E846-W902 PolarHBondContact OE1-NE1 2.84Å; V858-W902 HydrophobicContact CB-CZ2 4.25Å; V858-W902 HydrophobicContact CG1-CD2 3.97Å; V858-W902 HydrophobicContact CG1-CE3 4.48Å; V858-W902 HydrophobicContact CG1-CG 4.44Å; V858-W902 HydrophobicContact CG1-CH2 4.29Å; V858-W902 HydrophobicContact CG1-CZ2 3.78Å; V858-W902 HydrophobicContact CG2-CZ2 4.21Å; V860-W902 HydrophobicContact CG2-CE3 4.33Å; V860-W902 HydrophobicContact CG2-CH2 4.33Å; V860-W902 HydrophobicContact CG2-CZ3 3.85Å; V868-W902 HydrophobicContact CB-CB 4.5Å; V868-W902 HydrophobicContact CG1-CD2 4.48Å; V868-W902 HydrophobicContact CG1-CG 4.4Å; V868-W902 HydrophobicContact CG2-CB 4.49Å; L900-W902 VanDerWaalsContact C-N 3.34Å; L900-W902 HydrophobicContact CB-CZ2 4.26Å; L900-W902 HydrophobicContact CD1-CH2 4.35Å; L900-W902 HydrophobicContact CD1-CZ2 4.03Å; L900-W902 PolarHBondContact O-N 3.16Å; W902-K904 VanDerWaalsContact C-N 3.31Å; W902-K904 PolarHBondContact O-N 2.92Å; W902-I905 PolarHBondContact O-N 3.26Å; W902-M906 HydrophobicContact CE3-CE 3.74Å; W902-M906 HydrophobicContact CZ3-CE 4.13Å; W902-M906 WeakPolarHBondContact O-CB 3.22Å; W902-M906 VanDerWaalsContact O-CG 3.22Å; W902-M906 WeakPolarHBondContact O-CG 3.21Å; W902-M906 PolarHBondContact O-N 3.27Å; W902-W922 HydrophobicContact CZ3-CH2 4.32Å; W902-W922 AromaticContact CZ3-CZ3 3.89Å; W902-W922 HydrophobicContact CZ3-CZ3 3.89Å; W902-L925 HydrophobicContact CH2-CD1 4.08Å; W902-L925 HydrophobicContact CH2-CD2 4.24Å
903	T	84.4	Confident	82.3	Confident	96 Å²	96	66.7 Å²	66.7	59%	0.589	36%	0.357	S	S	*	.	H	α-helix	trans	-68	-31.4	179.2	69.1	0	0	0	0	113.2	N901 K907	N901-T903 PolarHBondContact O-N 3.4Å; N901-T903 VanDerWaalsContact O-N 3.14Å; N901-T903 PolarHBondContact OD1-N 2.86Å; N901-T903 PolarHBondContact OD1-OG1 3.02Å; T903-K907 WeakPolarHBondContact O-CD 3.18Å; T903-K907 VanDerWaalsContact O-CG 3.28Å; T903-K907 WeakPolarHBondContact O-CG 3.37Å; T903-K907 PolarHBondContact O-N 3.21Å
904	K	84.1	Confident	81.4	Confident	147 Å²	147	67.5 Å²	67.5	64%	0.639	36%	0.362	S	S	*	.	H	α-helix	trans	-77	-43.9	174.8	-172.1	-178.6	177.2	-172.8	0	110.1	N901 W902 K907 T908	N901-K904 HydrophobicContact CB-CB 4.39Å; N901-K904 PolarHBondContact O-N 2.68Å; N901-K904 PolarHBondContact OD1-N 3.43Å; W902-K904 VanDerWaalsContact C-N 3.31Å; W902-K904 PolarHBondContact O-N 2.92Å; K904-K907 WeakPolarHBondContact O-CB 3.49Å; K904-K907 PolarHBondContact O-N 3.24Å; K904-T908 PolarHBondContact O-N 2.61Å; K904-T908 PolarHBondContact O-OG1 3.07Å; K904-T908 VanDerWaalsContact O-OG1 3.13Å
905	I	83	Confident	80.7	Confident	30 Å²	30	67.7 Å²	67.7	15%	0.154	37%	0.365	C	S	.	.	H	α-helix	trans	-61.2	-50.2	179.2	-63.8	169.9	0	0	0	110.9	L900 N901 W902 K907 T908 I909 F924	L900-I905 HydrophobicContact CB-CD1 3.86Å; L900-I905 HydrophobicContact CD1-CD1 4.31Å; L900-I905 HydrophobicContact CG-CD1 4.48Å; N901-I905 WeakPolarHBondContact O-CG1 3.4Å; N901-I905 PolarHBondContact O-N 3.26Å; N901-I905 VanDerWaalsContact O-N 3.14Å; W902-I905 PolarHBondContact O-N 3.26Å; I905-K907 PolarHBondContact O-N 2.97Å; I905-T908 WeakPolarHBondContact O-CB 3.31Å; I905-T908 PolarHBondContact O-N 2.96Å; I905-T908 VanDerWaalsContact O-N 3.14Å; I905-I909 HydrophobicContact CG2-CD1 3.75Å; I905-I909 HydrophobicContact CG2-CG1 4.44Å; I905-I909 WeakPolarHBondContact O-CG1 3.49Å; I905-I909 PolarHBondContact O-N 3.36Å; I905-F924 HydrophobicContact CD1-CE2 4.44Å; I905-F924 HydrophobicContact CD1-CZ 4.33Å; I905-F924 HydrophobicContact CG2-CZ 4.23Å
906	M	82.3	Confident	80.2	Confident	18 Å²	18	65.6 Å²	65.6	9%	0.089	36%	0.355	C	S	.	.	H	α-helix	trans	-59.2	-36.7	177.8	-69.1	-53.3	106.2	0	0	111.9	V860 Y864 V868 W902 I909 V910 W922	V860-M906 HydrophobicContact CG1-CE 4.42Å; Y864-M906 HydrophobicContact CD1-SD 4.37Å; V868-M906 HydrophobicContact CG2-CE 4.1Å; V868-M906 HydrophobicContact CG2-CG 3.77Å; V868-M906 HydrophobicContact CG2-SD 3.76Å; W902-M906 HydrophobicContact CE3-CE 3.74Å; W902-M906 HydrophobicContact CZ3-CE 4.13Å; W902-M906 WeakPolarHBondContact O-CB 3.22Å; W902-M906 VanDerWaalsContact O-CG 3.22Å; W902-M906 WeakPolarHBondContact O-CG 3.21Å; W902-M906 PolarHBondContact O-N 3.27Å; M906-I909 HydrophobicContact CE-CD1 3.85Å; M906-I909 PolarHBondContact O-N 3.24Å; M906-V910 WeakPolarHBondContact O-CB 3.44Å; M906-V910 WeakPolarHBondContact O-CG2 3.47Å; M906-V910 PolarHBondContact O-N 3.05Å; M906-W922 HydrophobicContact CE-CH2 3.68Å; M906-W922 HydrophobicContact CE-CZ3 4.44Å
907	K	82.1	Confident	79.6	Confident	108 Å²	108	66.1 Å²	66.1	47%	0.47	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-46.8	175.3	-77.5	175	-177.7	176.8	0	111.8	T903 K904 I905 I909 V910 D911	T903-K907 WeakPolarHBondContact O-CD 3.18Å; T903-K907 VanDerWaalsContact O-CG 3.28Å; T903-K907 WeakPolarHBondContact O-CG 3.37Å; T903-K907 PolarHBondContact O-N 3.21Å; K904-K907 WeakPolarHBondContact O-CB 3.49Å; K904-K907 PolarHBondContact O-N 3.24Å; I905-K907 PolarHBondContact O-N 2.97Å; K907-I909 VanDerWaalsContact C-N 3.27Å; K907-I909 PolarHBondContact O-N 2.63Å; K907-V910 PolarHBondContact O-N 2.75Å; K907-D911 VanDerWaalsContact O-CB 3.29Å; K907-D911 WeakPolarHBondContact O-CB 3.45Å; K907-D911 PolarHBondContact O-N 3.43Å
908	T	81.1	Confident	79.2	Confident	87 Å²	87	69.5 Å²	69.5	53%	0.534	36%	0.363	S	S	.	.	H	α-helix	trans	-57.2	-43.2	175.9	-53	0	0	0	0	111.4	K904 I905 D911 D912	K904-T908 PolarHBondContact O-N 2.61Å; K904-T908 PolarHBondContact O-OG1 3.07Å; K904-T908 VanDerWaalsContact O-OG1 3.13Å; I905-T908 WeakPolarHBondContact O-CB 3.31Å; I905-T908 PolarHBondContact O-N 2.96Å; I905-T908 VanDerWaalsContact O-N 3.14Å; T908-D911 PolarHBondContact O-N 2.84Å; T908-D912 PolarHBondContact O-N 3.5Å
909	I	80.1	Confident	78.7	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-66.2	-42	178.6	-65	167.6	0	0	0	111.4	Y864 I905 M906 K907 D912 P913 F916 W922	Y864-I909 HydrophobicContact CD1-CG2 4.41Å; Y864-I909 HydrophobicContact CD2-CG2 3.95Å; Y864-I909 HydrophobicContact CE2-CG2 4.2Å; Y864-I909 HydrophobicContact CG-CG2 4.05Å; I905-I909 HydrophobicContact CG2-CD1 3.75Å; I905-I909 HydrophobicContact CG2-CG1 4.44Å; I905-I909 WeakPolarHBondContact O-CG1 3.49Å; I905-I909 PolarHBondContact O-N 3.36Å; M906-I909 HydrophobicContact CE-CD1 3.85Å; M906-I909 PolarHBondContact O-N 3.24Å; K907-I909 VanDerWaalsContact C-N 3.27Å; K907-I909 PolarHBondContact O-N 2.63Å; I909-D912 CarbonylContact O-C 3.6Å; I909-P913 VanDerWaalsContact O-CA 3.23Å; I909-P913 WeakPolarHBondContact O-CA 3.4Å; I909-P913 VanDerWaalsContact O-CD 3.28Å; I909-P913 WeakPolarHBondContact O-CD 3.4Å; I909-P913 WeakPolarHBondContact O-CG 3.46Å; I909-P913 VanDerWaalsContact O-N 3.08Å; I909-F916 HydrophobicContact CD1-CD1 4.45Å; I909-F916 HydrophobicContact CD1-CD2 4.26Å; I909-F916 HydrophobicContact CD1-CE1 4.09Å; I909-F916 HydrophobicContact CD1-CE2 3.87Å; I909-F916 HydrophobicContact CD1-CZ 3.77Å; I909-F916 HydrophobicContact CG1-CB 4.47Å; I909-F916 HydrophobicContact CG1-CD1 4.08Å; I909-F916 HydrophobicContact CG1-CD2 3.68Å; I909-F916 HydrophobicContact CG1-CE1 4.21Å; I909-F916 HydrophobicContact CG1-CE2 3.82Å; I909-F916 HydrophobicContact CG1-CG 3.81Å; I909-F916 HydrophobicContact CG1-CZ 4.08Å; I909-F916 HydrophobicContact CG2-CD1 4.32Å; I909-W922 HydrophobicContact CD1-CH2 3.75Å; I909-W922 HydrophobicContact CD1-CZ2 4.01Å; I909-W922 HydrophobicContact CD1-CZ3 4.32Å
910	V	79.9	Confident	78	Confident	77 Å²	77	67.7 Å²	67.7	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-71	-34.2	179.1	171.5	0	0	0	0	111.8	M906 K907	M906-V910 WeakPolarHBondContact O-CB 3.44Å; M906-V910 WeakPolarHBondContact O-CG2 3.47Å; M906-V910 PolarHBondContact O-N 3.05Å; K907-V910 PolarHBondContact O-N 2.75Å
911	D	79.4	Confident	77.7	Confident	134 Å²	134	65.4 Å²	65.4	72%	0.717	34%	0.342	S	S	*	.	H	α-helix	trans	-75.1	-38.1	-179.5	-70.9	-20.8	0	0	0	112.1	K907 T908	K907-D911 VanDerWaalsContact O-CB 3.29Å; K907-D911 WeakPolarHBondContact O-CB 3.45Å; K907-D911 PolarHBondContact O-N 3.43Å; T908-D911 PolarHBondContact O-N 2.84Å
912	D	75	Confident	77.3	Confident	88 Å²	88	61.4 Å²	61.4	47%	0.471	32%	0.319	S	S	.	.			trans	-140.5	81.4	174.2	-173.7	11.5	0	0	0	112.5	T908 I909 E914 G915 F916	T908-D912 PolarHBondContact O-N 3.5Å; I909-D912 CarbonylContact O-C 3.6Å; D912-E914 VanDerWaalsContact C-N 3.34Å; D912-E914 PolarHBondContact O-N 2.87Å; D912-E914 PolarHBondContact OD1-N 2.86Å; D912-G915 PolarHBondContact OD1-N 2.88Å; D912-F916 PolarHBondContact O-N 2.76Å
913	P	72.3	Confident	76.7	Confident	23 Å²	23	62.8 Å²	62.8	15%	0.149	33%	0.332	C	S	.	.	H	α-helix	trans	-66.4	-33.4	179.5	-18	26.9	0	0	0	113.5	L493 I909 F916 F917	L493-P913 HydrophobicContact CD1-CB 4.22Å; L493-P913 HydrophobicContact CD2-CB 3.48Å; L493-P913 VanDerWaalsContact CD2-CB 3.48Å; L493-P913 HydrophobicContact CD2-CG 3.69Å; L493-P913 HydrophobicContact CG-CB 4.42Å; I909-P913 VanDerWaalsContact O-CA 3.23Å; I909-P913 WeakPolarHBondContact O-CA 3.4Å; I909-P913 VanDerWaalsContact O-CD 3.28Å; I909-P913 WeakPolarHBondContact O-CD 3.4Å; I909-P913 WeakPolarHBondContact O-CG 3.46Å; I909-P913 VanDerWaalsContact O-N 3.08Å; P913-F916 PolarHBondContact O-N 3.31Å; P913-F917 WeakPolarHBondContact O-CD2 3.45Å; P913-F917 PolarHBondContact O-N 3.34Å
914	E	70.1	Confident	76.4	Confident	44 Å²	44	62.6 Å²	62.6	21%	0.206	32%	0.323	C	S	.	.	H	α-helix	trans	-72.3	-44.7	-177.1	-60.2	-76.8	173.4	0	0	110.4	K497 D912 F916 F917 E918	K497-E914 VanDerWaalsContact NZ-CG 3.31Å; K497-E914 IonicContact NZ-OE1 3.51Å; K497-E914 PolarHBondContact NZ-OE1 2.97Å; D912-E914 VanDerWaalsContact C-N 3.34Å; D912-E914 PolarHBondContact O-N 2.87Å; D912-E914 PolarHBondContact OD1-N 2.86Å; E914-F916 PolarHBondContact O-N 2.97Å; E914-F917 PolarHBondContact O-N 2.84Å; E914-E918 WeakPolarHBondContact O-CG 3.13Å; E914-E918 PolarHBondContact O-N 2.63Å
915	G	71.2	Confident	76.1	Confident	10 Å²	10	56.2 Å²	56.2	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-32.9	175.2	0	0	0	0	0	112.9	D912 Q919	D912-G915 PolarHBondContact OD1-N 2.88Å; G915-Q919 VanDerWaalsContact O-CG 3.26Å; G915-Q919 WeakPolarHBondContact O-CG 3.29Å; G915-Q919 PolarHBondContact O-N 3.29Å
916	F	77.6	Confident	75.6	Confident	21 Å²	21	57.6 Å²	57.6	9%	0.092	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-49	174.2	178.4	-107.7	0	0	0	112.4	I909 D912 P913 E914 Q919 G921 W922 F924	I909-F916 HydrophobicContact CD1-CD1 4.45Å; I909-F916 HydrophobicContact CD1-CD2 4.26Å; I909-F916 HydrophobicContact CD1-CE1 4.09Å; I909-F916 HydrophobicContact CD1-CE2 3.87Å; I909-F916 HydrophobicContact CD1-CZ 3.77Å; I909-F916 HydrophobicContact CG1-CB 4.47Å; I909-F916 HydrophobicContact CG1-CD1 4.08Å; I909-F916 HydrophobicContact CG1-CD2 3.68Å; I909-F916 HydrophobicContact CG1-CE1 4.21Å; I909-F916 HydrophobicContact CG1-CE2 3.82Å; I909-F916 HydrophobicContact CG1-CG 3.81Å; I909-F916 HydrophobicContact CG1-CZ 4.08Å; I909-F916 HydrophobicContact CG2-CD1 4.32Å; D912-F916 PolarHBondContact O-N 2.76Å; P913-F916 PolarHBondContact O-N 3.31Å; E914-F916 PolarHBondContact O-N 2.97Å; F916-Q919 PolarHBondContact O-N 2.81Å; F916-G921 WeakPolarHBondContact CE2-O 3.46Å; F916-G921 VanDerWaalsContact CZ-O 3.26Å; F916-G921 WeakPolarHBondContact CZ-O 3.16Å; F916-G921 VanDerWaalsContact O-CA 3.24Å; F916-G921 WeakPolarHBondContact O-CA 2.95Å; F916-G921 PolarHBondContact O-N 2.86Å; F916-W922 HydrophobicContact CE1-CD2 4.02Å; F916-W922 AromaticContact CE1-CE2 3.81Å; F916-W922 HydrophobicContact CE1-CG 4.29Å; F916-W922 HydrophobicContact CE1-CZ2 4.31Å; F916-W922 AromaticContact CE1-NE1 3.83Å; F916-W922 AromaticContact CZ-CD2 3.65Å; F916-W922 HydrophobicContact CZ-CD2 3.65Å; F916-W922 AromaticContact CZ-CE2 3.84Å; F916-W922 AromaticContact CZ-CE3 3.84Å; F916-W922 HydrophobicContact CZ-CE3 3.84Å; F916-W922 HydrophobicContact CZ-CG 4.13Å; F916-W922 HydrophobicContact CZ-CH2 4.48Å; F916-W922 HydrophobicContact CZ-CZ2 4.25Å; F916-W922 HydrophobicContact CZ-CZ3 4.26Å; F916-F924 HydrophobicContact CE2-CD1 4.12Å; F916-F924 AromaticContact CE2-CE1 3.78Å; F916-F924 HydrophobicContact CE2-CE1 3.78Å; F916-F924 HydrophobicContact CZ-CE1 4.09Å
917	F	72.3	Confident	74.4	Confident	27 Å²	27	61.6 Å²	61.6	12%	0.118	33%	0.331	C	S	.	.	H	α-helix	trans	-72.9	-28.3	179.5	-67.9	-67.8	0	0	0	113	A489 L493 P913 E914 Q919 G920	A489-F917 HydrophobicContact CB-CE1 3.83Å; A489-F917 HydrophobicContact CB-CE2 4.29Å; A489-F917 HydrophobicContact CB-CZ 3.54Å; L493-F917 HydrophobicContact CD1-CD2 4.39Å; L493-F917 HydrophobicContact CD1-CE2 3.48Å; L493-F917 VanDerWaalsContact CD1-CE2 3.48Å; L493-F917 HydrophobicContact CD1-CZ 4.18Å; P913-F917 WeakPolarHBondContact O-CD2 3.45Å; P913-F917 PolarHBondContact O-N 3.34Å; E914-F917 PolarHBondContact O-N 2.84Å; F917-Q919 VanDerWaalsContact C-N 3.29Å; F917-Q919 PolarHBondContact O-N 2.94Å; F917-G920 PolarHBondContact O-N 2.78Å
918	E	72.3	Confident	72.8	Confident	155 Å²	155	63 Å²	63	72%	0.724	34%	0.339	S	S	*	.	H	α-helix	trans	-66.7	-28.9	172.7	-75.6	-176.5	175	0	0	112.9	E914 G920	E914-E918 WeakPolarHBondContact O-CG 3.13Å; E914-E918 PolarHBondContact O-N 2.63Å; E918-G920 PolarHBondContact O-N 3.33Å
919	Q	68.5	Low	70.9	Confident	162 Å²	162	62.8 Å²	62.8	76%	0.757	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	12.8	177	-68.6	172.4	24.4	0	0	113.7	G915 F916 F917	G915-Q919 VanDerWaalsContact O-CG 3.26Å; G915-Q919 WeakPolarHBondContact O-CG 3.29Å; G915-Q919 PolarHBondContact O-N 3.29Å; F916-Q919 PolarHBondContact O-N 2.81Å; F917-Q919 VanDerWaalsContact C-N 3.29Å; F917-Q919 PolarHBondContact O-N 2.94Å
920	G	67.1	Low	68.9	Low	27 Å²	27	71.8 Å²	71.8	28%	0.278	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	4.4	-178	0	0	0	0	0	114.4	F917 E918 W922 S923	F917-G920 PolarHBondContact O-N 2.78Å; E918-G920 PolarHBondContact O-N 3.33Å; G920-W922 PolarHBondContact O-N 2.99Å; G920-S923 VanDerWaalsContact C-OG 3.32Å; G920-S923 WeakPolarHBondContact CA-OG 3.39Å; G920-S923 VanDerWaalsContact O-CB 3.3Å; G920-S923 WeakPolarHBondContact O-CB 3.29Å; G920-S923 PolarHBondContact O-N 2.89Å; G920-S923 VanDerWaalsContact O-N 3.1Å; G920-S923 PolarHBondContact O-OG 3.45Å
921	G	77.4	Confident	66.8	Low	2 Å²	2	71 Å²	71	2%	0.021	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	59.2	-119.6	176	0	0	0	0	0	111.1	F916 S923 F924	F916-G921 WeakPolarHBondContact CE2-O 3.46Å; F916-G921 VanDerWaalsContact CZ-O 3.26Å; F916-G921 WeakPolarHBondContact CZ-O 3.16Å; F916-G921 VanDerWaalsContact O-CA 3.24Å; F916-G921 WeakPolarHBondContact O-CA 2.95Å; F916-G921 PolarHBondContact O-N 2.86Å; G921-S923 PolarHBondContact O-N 3.31Å; G921-F924 WeakPolarHBondContact O-CD1 3.37Å
922	W	77.8	Confident	64.3	Low	15 Å²	15	70.1 Å²	70.1	6%	0.057	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-79.4	1.5	-178.7	-63.7	108.2	0	0	0	115.1	L842 V860 Y864 W902 M906 I909 F916 G920 F924 L925	L842-W922 HydrophobicContact CD2-CB 3.95Å; L842-W922 HydrophobicContact CD2-CD2 3.1Å; L842-W922 HydrophobicContact CD2-CE3 3.52Å; L842-W922 HydrophobicContact CD2-CG 3.31Å; L842-W922 HydrophobicContact CD2-CH2 4.14Å; L842-W922 HydrophobicContact CD2-CZ2 3.86Å; L842-W922 HydrophobicContact CD2-CZ3 4.02Å; V860-W922 HydrophobicContact CG1-CH2 3.74Å; V860-W922 HydrophobicContact CG1-CZ2 3.8Å; V860-W922 HydrophobicContact CG2-CH2 4.35Å; Y864-W922 AromaticContact CE1-CZ2 3.88Å; Y864-W922 HydrophobicContact CE1-CZ2 3.88Å; W902-W922 HydrophobicContact CZ3-CH2 4.32Å; W902-W922 AromaticContact CZ3-CZ3 3.89Å; W902-W922 HydrophobicContact CZ3-CZ3 3.89Å; M906-W922 HydrophobicContact CE-CH2 3.68Å; M906-W922 HydrophobicContact CE-CZ3 4.44Å; I909-W922 HydrophobicContact CD1-CH2 3.75Å; I909-W922 HydrophobicContact CD1-CZ2 4.01Å; I909-W922 HydrophobicContact CD1-CZ3 4.32Å; F916-W922 HydrophobicContact CE1-CD2 4.02Å; F916-W922 AromaticContact CE1-CE2 3.81Å; F916-W922 HydrophobicContact CE1-CG 4.29Å; F916-W922 HydrophobicContact CE1-CZ2 4.31Å; F916-W922 AromaticContact CE1-NE1 3.83Å; F916-W922 AromaticContact CZ-CD2 3.65Å; F916-W922 HydrophobicContact CZ-CD2 3.65Å; F916-W922 AromaticContact CZ-CE2 3.84Å; F916-W922 AromaticContact CZ-CE3 3.84Å; F916-W922 HydrophobicContact CZ-CE3 3.84Å; F916-W922 HydrophobicContact CZ-CG 4.13Å; F916-W922 HydrophobicContact CZ-CH2 4.48Å; F916-W922 HydrophobicContact CZ-CZ2 4.25Å; F916-W922 HydrophobicContact CZ-CZ3 4.26Å; G920-W922 PolarHBondContact O-N 2.99Å; W922-F924 AromaticContact CE3-CE1 3.92Å; W922-F924 HydrophobicContact CE3-CE1 3.92Å; W922-F924 HydrophobicContact CE3-CZ 4.45Å; W922-F924 HydrophobicContact CZ3-CE1 4.25Å; W922-F924 HydrophobicContact CZ3-CZ 4.46Å; W922-F924 PolarHBondContact O-N 3.14Å; W922-L925 HydrophobicContact CE3-CD1 3.56Å; W922-L925 HydrophobicContact CE3-CG 4.38Å; W922-L925 HydrophobicContact CZ3-CD1 4Å; W922-L925 WeakPolarHBondContact O-CB 3.01Å; W922-L925 PolarHBondContact O-N 3.25Å; W922-L925 VanDerWaalsContact O-N 3.17Å
923	S	73.9	Confident	62	Low	47 Å²	47	69.9 Å²	69.9	33%	0.329	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-65.7	-18.9	-180	66.1	0	0	0	0	113.9	G920 G921 L925 D926	G920-S923 VanDerWaalsContact C-OG 3.32Å; G920-S923 WeakPolarHBondContact CA-OG 3.39Å; G920-S923 VanDerWaalsContact O-CB 3.3Å; G920-S923 WeakPolarHBondContact O-CB 3.29Å; G920-S923 PolarHBondContact O-N 2.89Å; G920-S923 VanDerWaalsContact O-N 3.1Å; G920-S923 PolarHBondContact O-OG 3.45Å; G921-S923 PolarHBondContact O-N 3.31Å; S923-L925 PolarHBondContact O-N 3.32Å; S923-D926 PolarHBondContact O-N 3.04Å; S923-D926 VanDerWaalsContact O-N 3.1Å
924	F	77.8	Confident	59.8	Low	92 Å²	92	74 Å²	74	40%	0.404	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-65.8	-15.6	174.8	83.5	-89.2	0	0	0	113.1	L900 I905 F916 G921 W922	L900-F924 HydrophobicContact CD1-CE2 4.31Å; I905-F924 HydrophobicContact CD1-CE2 4.44Å; I905-F924 HydrophobicContact CD1-CZ 4.33Å; I905-F924 HydrophobicContact CG2-CZ 4.23Å; F916-F924 HydrophobicContact CE2-CD1 4.12Å; F916-F924 AromaticContact CE2-CE1 3.78Å; F916-F924 HydrophobicContact CE2-CE1 3.78Å; F916-F924 HydrophobicContact CZ-CE1 4.09Å; G921-F924 WeakPolarHBondContact O-CD1 3.37Å; W922-F924 AromaticContact CE3-CE1 3.92Å; W922-F924 HydrophobicContact CE3-CE1 3.92Å; W922-F924 HydrophobicContact CE3-CZ 4.45Å; W922-F924 HydrophobicContact CZ3-CE1 4.25Å; W922-F924 HydrophobicContact CZ3-CZ 4.46Å; W922-F924 PolarHBondContact O-N 3.14Å
925	L	76.8	Confident	57.9	Low	12 Å²	12	80.1 Å²	80.1	6%	0.063	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-84.9	-9.9	175.4	-63.6	176.3	0	0	0	112.8	T894 L900 W902 W922 S923	T894-L925 HydrophobicContact CG2-CB 4.21Å; L900-L925 HydrophobicContact CD1-CD2 3.27Å; W902-L925 HydrophobicContact CH2-CD1 4.08Å; W902-L925 HydrophobicContact CH2-CD2 4.24Å; W922-L925 HydrophobicContact CE3-CD1 3.56Å; W922-L925 HydrophobicContact CE3-CG 4.38Å; W922-L925 HydrophobicContact CZ3-CD1 4Å; W922-L925 WeakPolarHBondContact O-CB 3.01Å; W922-L925 PolarHBondContact O-N 3.25Å; W922-L925 VanDerWaalsContact O-N 3.17Å; S923-L925 PolarHBondContact O-N 3.32Å
926	D	72.3	Confident	55.9	Low	59 Å²	59	87.9 Å²	87.9	32%	0.316	51%	0.511	S	S	.	.	S	Bend	trans	-86.1	126.2	-178.4	-74.7	-29.3	0	0	0	110.6	S923 E928 S929	S923-D926 PolarHBondContact O-N 3.04Å; S923-D926 VanDerWaalsContact O-N 3.1Å; D926-E928 PolarHBondContact O-N 3.04Å; D926-S929 PolarHBondContact O-N 2.91Å; D926-S929 PolarHBondContact O-OG 3.44Å
927	P	58.1	Low	53.4	Low	102 Å²	102	94.4 Å²	94.4	66%	0.662	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.3	-179.1	23.1	-31.3	0	0	0	114.5
928	E	47.4	Very low	51.3	Low	139 Å²	139	98.8 Å²	98.8	65%	0.65	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-10.7	176.4	-74.7	-171.3	176.5	0	0	113.6	R475 D926	R475-E928 IonicContact NH1-OE1 3.37Å; R475-E928 PolarHBondContact NH1-OE1 3.37Å; D926-E928 PolarHBondContact O-N 3.04Å
929	S	41.9	Very low	49.2	Very low	81 Å²	81	100.4 Å²	100.4	57%	0.566	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-16.8	179.2	72.1	0	0	0	0	114.5	D926	D926-S929 PolarHBondContact O-N 2.91Å; D926-S929 PolarHBondContact O-OG 3.44Å
930	E	37.4	Very low	47.2	Very low	191 Å²	191	98 Å²	98	89%	0.893	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	13.2	177.4	-69.3	-162.1	156.5	0	0	113.5
931	G	35.9	Very low	45.2	Very low	59 Å²	59	105.3 Å²	105.3	61%	0.608	62%	0.616	S	S	*	*	S	Bend	trans	-141	39	-164.8	0	0	0	0	0	117.8
932	S	26.8	Very low	42.8	Very low	116 Å²	116	114.1 Å²	114.1	81%	0.811	66%	0.659	S	S	*	*	S	Bend	trans	-169.8	97.7	155.4	57.9	0	0	0	0	114.7
933	G	28.1	Very low	40.4	Very low	83 Å²	83	122.8 Å²	122.8	86%	0.856	70%	0.7	S	S	*	*			trans	70.8	89.9	131.5	0	0	0	0	0	120.2
934	A	25.9	Very low	38.3	Very low	109 Å²	109	127.5 Å²	127.5	90%	0.901	72%	0.722	S	S	*	*			trans	-139.3	81.2	140.5	0	0	0	0	0	108.5
935	E	29.8	Very low	36	Very low	174 Å²	174	131 Å²	131	81%	0.813	74%	0.739	S	S	*	*			trans	-74.5	131.5	160.4	-81.5	-177.6	168.8	0	0	109.1
936	E	29.1	Very low	33.8	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.804	77%	0.77	S	S	*	*			trans	50.1	107.7	139.4	-59.9	-179.5	169.5	0	0	118.6
937	D	25.9	Very low	31.6	Very low	159 Å²	159	141.6 Å²	141.6	85%	0.85	79%	0.792	S	S	*	*				-169.9	147.8	100.2	-127.4	-22.8	0	0	0	114.8
938	S	26.4	Very low	29.9	Very low	119 Å²	119	141.2 Å²	141.2	83%	0.832	78%	0.784	S	S	*	*			trans	94.2	87.4	169.2	70.9	0	0	0	0	120.1
939	E	29.2	Very low	29	Very low	188 Å²	188	140.8 Å²	140.8	88%	0.879	79%	0.794	S	S	*	*			trans	-57.7	152.3	171.7	-55.4	-176.2	148.9	0	0	117.1
940	S	26.1	Very low	28.1	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	80%	0.796	S	S	*	*				-164.2	109.4	123.4	23.7	0	0	0	0	111.9
941	E	26.3	Very low	27.6	Very low	180 Å²	180	136 Å²	136	84%	0.841	79%	0.787	S	S	*	*	S	Bend	trans	69.4	102.2	144.8	-56.1	-172.5	-176.8	0	0	119.7
942	M	25.4	Very low	27.1	Very low	187 Å²	187	140.3 Å²	140.3	92%	0.921	80%	0.796	S	S	*	*				-164.4	128.3	76	-88	-160.1	-73.8	0	0	110.9
943	E	27.9	Very low	27.1	Very low	198 Å²	198	142.7 Å²	142.7	93%	0.925	79%	0.794	S	S	*	*			trans	-68.3	155.2	-173.9	-71	173.1	142.3	0	0	114.5
944	D	29.3	Very low	27	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	79%	0.794	S	S	*	*			trans	-71.6	159.4	168.6	-130.7	-23.9	0	0	0	112.6
945	E	31	Very low	27.1	Very low	165 Å²	165	151.1 Å²	151.1	77%	0.771	79%	0.792	S	S	*	*			trans	83.8	96.6	149.2	-75.1	-166.3	-168	0	0	122.8
946	T	30.1	Very low	26.8	Very low	116 Å²	116	151.2 Å²	151.2	71%	0.712	79%	0.793	S	S	*	*				114.9	131.4	114	-40.2	0	0	0	0	120.1
947	F	25.8	Very low	26.6	Very low	178 Å²	178	151.9 Å²	151.9	78%	0.781	80%	0.796	S	S	*	*			trans	86.3	123.7	156	-133.7	-120.2	0	0	0	117.1
948	N	22.7	Very low	26.5	Very low	94 Å²	94	152.9 Å²	152.9	50%	0.503	80%	0.796	S	S	.	*			cis	-170.9	141.2	42.8	-165.2	14.5	0	0	0	110.7	S950	N948-S950 PolarHBondContact ND2-OG 3.43Å; N948-S950 PolarHBondContact OD1-OG 3.32Å; N948-S950 VanDerWaalsContact OD1-OG 3.14Å
949	P	27.8	Very low	26.5	Very low	130 Å²	130	155.5 Å²	155.5	84%	0.844	80%	0.795	S	S	*	*			trans	-114.9	110.9	150.7	31.2	-17.4	0	0	0	109.2
950	S	23.9	Very low	26.3	Very low	88 Å²	88	154.5 Å²	154.5	62%	0.615	80%	0.796	S	S	*	*			trans	-124	132.7	163.8	-16.8	0	0	0	0	109.8	N948	N948-S950 PolarHBondContact ND2-OG 3.43Å; N948-S950 PolarHBondContact OD1-OG 3.32Å; N948-S950 VanDerWaalsContact OD1-OG 3.14Å
951	A	26.8	Very low	26.3	Very low	84 Å²	84	153.8 Å²	153.8	69%	0.694	79%	0.79	S	S	*	*			trans	75.5	91.9	155.9	0	0	0	0	0	118.6
952	D	25.6	Very low	26.4	Very low	149 Å²	149	153.4 Å²	153.4	80%	0.797	79%	0.794	S	S	*	*				-154	106.3	88.9	-80.6	-22.2	0	0	0	106.6
953	E	26.9	Very low	26.4	Very low	167 Å²	167	152 Å²	152	78%	0.78	79%	0.785	S	S	*	*				62.6	114.7	93.4	-77.5	-173.5	-173.4	0	0	111.7
954	E	24.5	Very low	26.7	Very low	184 Å²	184	150.5 Å²	150.5	86%	0.86	78%	0.784	S	S	*	*			cis	-152.4	154.5	19.3	-83.6	169.9	155	0	0	110.4
955	E	28.5	Very low	26.7	Very low	184 Å²	184	153 Å²	153	86%	0.86	78%	0.783	S	S	*	*			trans	-81.4	157.9	172.2	-69.6	173.1	150.7	0	0	113
956	E	23.3	Very low	27	Very low	176 Å²	176	150.2 Å²	150.2	82%	0.822	78%	0.783	S	S	*	*			trans	151.1	94.7	135.5	-82.5	-175.5	-174	0	0	108.3
957	E	26.1	Very low	26.8	Very low	187 Å²	187	148.5 Å²	148.5	87%	0.874	78%	0.775	S	S	*	*				68.4	110.6	98.5	-75.1	-165.7	179.5	0	0	112.9
958	E	22.5	Very low	27	Very low	180 Å²	180	146.4 Å²	146.4	84%	0.841	77%	0.768	S	S	*	*				-164.5	122.6	123.4	-78.6	-140.9	162.1	0	0	110.2
959	E	26.9	Very low	27.2	Very low	174 Å²	174	148.2 Å²	148.2	81%	0.813	78%	0.782	S	S	*	*			trans	29.8	112.5	145.6	-57.7	-175.8	168.2	0	0	119.6
960	D	24.6	Very low	27.1	Very low	167 Å²	167	149.3 Å²	149.3	89%	0.893	78%	0.776	S	S	*	*			trans	-142.7	121.1	136.6	-109.8	-28.8	0	0	0	110.9	D962	D960-D962 PolarHBondContact O-N 3.29Å
961	S	26	Very low	27.1	Very low	96 Å²	96	153.3 Å²	153.3	67%	0.671	79%	0.791	S	S	*	*			trans	-73	106.9	-175.4	174	0	0	0	0	110.4	E963	S961-E963 VanDerWaalsContact C-N 3.29Å; S961-E963 PolarHBondContact O-N 3.16Å
962	D	27.9	Very low	27.1	Very low	172 Å²	172	153.9 Å²	153.9	92%	0.92	79%	0.789	S	S	*	*			trans	-73	84.5	167.5	-85.5	-27	0	0	0	109.7	D960 D964	D960-D962 PolarHBondContact O-N 3.29Å; D962-D964 PolarHBondContact O-N 2.87Å
963	E	27.1	Very low	27.2	Very low	157 Å²	157	154.3 Å²	154.3	73%	0.734	79%	0.792	S	S	*	*			trans	-77.7	109.2	161.5	-77.4	-171	169.3	0	0	109.6	S961 Y965	S961-E963 VanDerWaalsContact C-N 3.29Å; S961-E963 PolarHBondContact O-N 3.16Å; E963-Y965 PolarHBondContact O-N 3.44Å
964	D	33.1	Very low	27	Very low	168 Å²	168	155.9 Å²	155.9	90%	0.898	79%	0.792	S	S	*	*			trans	-48.5	101.5	159.2	-109.3	-30.4	0	0	0	110.2	D962	D962-D964 PolarHBondContact O-N 2.87Å
965	Y	30.1	Very low	27.1	Very low	196 Å²	196	152.7 Å²	152.7	77%	0.769	79%	0.79	S	S	*	*			trans	-107.2	83.3	168.1	-141.6	-89.4	0	0	0	111	E963 S967	E963-Y965 PolarHBondContact O-N 3.44Å; Y965-S967 VanDerWaalsContact C-N 3.27Å; Y965-S967 PolarHBondContact O-N 3.07Å
966	S	35.9	Very low	27	Very low	108 Å²	108	147.4 Å²	147.4	76%	0.755	78%	0.778	S	S	*	*			trans	-62.9	87.4	151.5	166	0	0	0	0	108.9	E968	S966-E968 PolarHBondContact O-N 3.41Å
967	S	27	Very low	27.3	Very low	79 Å²	79	144.5 Å²	144.5	55%	0.552	78%	0.777	S	S	*	*			trans	-85.5	103	163.8	72.9	0	0	0	0	109.7	Y965 T969	Y965-S967 VanDerWaalsContact C-N 3.27Å; Y965-S967 PolarHBondContact O-N 3.07Å; S967-T969 PolarHBondContact O-N 3.03Å; S967-T969 VanDerWaalsContact O-N 3.16Å
968	E	29.3	Very low	27.3	Very low	135 Å²	135	143.9 Å²	143.9	63%	0.631	78%	0.779	S	S	*	*			trans	-52.4	112.1	153.9	-58.6	-166.3	127.7	0	0	108.9	S966 E970	S966-E968 PolarHBondContact O-N 3.41Å; E968-E970 PolarHBondContact O-N 3.42Å
969	T	27	Very low	27.5	Very low	131 Å²	131	138.6 Å²	138.6	80%	0.804	77%	0.773	S	S	*	*			trans	-77.1	87.9	159.8	39	0	0	0	0	107.9	S967 D971	S967-T969 PolarHBondContact O-N 3.03Å; S967-T969 VanDerWaalsContact O-N 3.16Å; T969-D971 PolarHBondContact O-N 2.92Å
970	E	26.1	Very low	27.4	Very low	154 Å²	154	135.7 Å²	135.7	72%	0.72	77%	0.771	S	S	*	*			trans	-57.5	112.2	150.5	-65.4	-176.8	149.5	0	0	108.4	E968 S972	E968-E970 PolarHBondContact O-N 3.42Å; E970-S972 PolarHBondContact O-N 3.47Å
971	D	24.9	Very low	27.6	Very low	172 Å²	172	136.2 Å²	136.2	92%	0.92	77%	0.768	S	S	*	*			trans	-69.6	85.6	160.8	-92.1	-32.2	0	0	0	107.5	T969 D973	T969-D971 PolarHBondContact O-N 2.92Å; D971-D973 PolarHBondContact O-N 3.08Å
972	S	25.6	Very low	27.7	Very low	95 Å²	95	140.8 Å²	140.8	66%	0.664	78%	0.779	S	S	*	*			trans	-68.9	118.1	164.2	48.6	0	0	0	0	109.1	E970 Y974	E970-S972 PolarHBondContact O-N 3.47Å; S972-Y974 PolarHBondContact O-N 3Å
973	D	27.1	Very low	27.9	Very low	158 Å²	158	142 Å²	142	85%	0.845	78%	0.779	S	S	*	*			trans	-73.1	73.9	174.6	-139.8	-0.6	0	0	0	108.9	D971	D971-D973 PolarHBondContact O-N 3.08Å
974	Y	22.8	Very low	28.3	Very low	201 Å²	201	140.3 Å²	140.3	79%	0.788	79%	0.785	S	S	*	*			trans	-97.6	91.9	170.1	-152.6	-99.7	0	0	0	109.4	S972 A976	S972-Y974 PolarHBondContact O-N 3Å; Y974-A976 HydrophobicContact CD1-CB 3.73Å; Y974-A976 HydrophobicContact CE1-CB 3.83Å; Y974-A976 PolarHBondContact O-N 2.9Å
975	S	27.9	Very low	28.5	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	78%	0.776	S	S	*	*			trans	-75.1	74.7	167.3	57.6	0	0	0	0	110.7	S977	S975-S977 PolarHBondContact O-N 3.37Å
976	A	26.9	Very low	29.4	Very low	73 Å²	73	131.5 Å²	131.5	60%	0.603	76%	0.762	S	S	*	*			trans	-77.1	95.1	164.4	0	0	0	0	0	110.1	Y974 L978	Y974-A976 HydrophobicContact CD1-CB 3.73Å; Y974-A976 HydrophobicContact CE1-CB 3.83Å; Y974-A976 PolarHBondContact O-N 2.9Å; A976-L978 PolarHBondContact O-N 3.4Å
977	S	27.8	Very low	30.1	Very low	115 Å²	115	132 Å²	132	80%	0.804	76%	0.757	S	S	*	*			trans	-69.2	106.9	162.2	173.5	0	0	0	0	109.6	S975	S975-S977 PolarHBondContact O-N 3.37Å
978	L	26.7	Very low	31	Very low	175 Å²	175	138.1 Å²	138.1	92%	0.916	77%	0.768	S	S	*	*			trans	-80.7	112.8	161.2	-89.6	166.7	0	0	0	108.8	A976	A976-L978 PolarHBondContact O-N 3.4Å
979	G	27.4	Very low	32.5	Very low	69 Å²	69	137.5 Å²	137.5	71%	0.711	77%	0.769	S	S	*	*			trans	-82	163.4	177.4	0	0	0	0	0	114.9
980	S	24.2	Very low	34.3	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	75%	0.754	S	S	*	*			trans	-173.3	117.6	152.5	-170.7	0	0	0	0	102.7
981	E	28.1	Very low	36.2	Very low	177 Å²	177	133.4 Å²	133.4	83%	0.827	74%	0.743	S	S	*	*			cis	-152.5	141.5	46.7	-70.7	168.4	164.3	0	0	111.4
982	E	28.2	Very low	38.1	Very low	192 Å²	192	131.8 Å²	131.8	90%	0.897	73%	0.73	S	S	*	*			trans	44.2	103	143	-57.4	-170.8	170.4	0	0	121.7
983	E	32.4	Very low	40.1	Very low	198 Å²	198	132.4 Å²	132.4	93%	0.925	72%	0.722	S	S	*	*				-151.6	123.6	124.1	-134.9	174.4	-170.9	0	0	109.4	G985	E983-G985 PolarHBondContact O-N 2.98Å
984	S	36.2	Very low	42.1	Very low	121 Å²	121	129.7 Å²	129.7	85%	0.846	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-56.7	116.9	-174.6	-179.7	0	0	0	0	112.1
985	G	37.9	Very low	44.1	Very low	70 Å²	70	122.6 Å²	122.6	72%	0.722	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-65.4	140	170.6	0	0	0	0	0	111.5	E983	E983-G985 PolarHBondContact O-N 2.98Å
986	K	48.3	Very low	45.7	Very low	109 Å²	109	124.2 Å²	124.2	47%	0.474	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-66.7	145.2	175.9	-65.6	-177.4	-176.2	174.4	0	111	E990 E994	K986-E990 HydrophobicContact CB-CB 4.06Å; K986-E990 WeakPolarHBondContact CB-OE2 3.35Å; K986-E990 HydrophobicContact CD-CB 4.42Å; K986-E990 WeakPolarHBondContact CD-OE2 3.5Å; K986-E990 WeakPolarHBondContact CG-OE2 3.3Å; K986-E994 IonicContact NZ-OE1 3.72Å; K986-E994 PolarHBondContact NZ-OE1 3.27Å; K986-E994 IonicContact NZ-OE2 2.66Å; K986-E994 PolarHBondContact NZ-OE2 3.28Å
987	D	50.3	Low	47.7	Very low	119 Å²	119	127.1 Å²	127.1	64%	0.636	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-71.3	156.3	-178.6	-144.5	-7.9	0	0	0	111	D989 E990 L991	D987-D989 PolarHBondContact O-N 3.48Å; D987-D989 VanDerWaalsContact O-N 3.07Å; D987-E990 WeakPolarHBondContact O-CB 3.37Å; D987-E990 PolarHBondContact O-N 3.25Å; D987-L991 PolarHBondContact O-N 2.95Å
988	W	46.9	Very low	49.5	Very low	207 Å²	207	124.1 Å²	124.1	78%	0.784	66%	0.657	S	S	*	*	H	α-helix	trans	-56.1	-31.1	-172.4	-80.8	87.6	0	0	0	113.8	E990 L991 E992	W988-E990 VanDerWaalsContact C-N 3.31Å; W988-E990 PolarHBondContact O-N 2.92Å; W988-L991 PolarHBondContact O-N 3.37Å; W988-E992 WeakPolarHBondContact O-CB 3.32Å; W988-E992 PolarHBondContact O-N 2.98Å
989	D	60.6	Low	51.3	Low	122 Å²	122	121.3 Å²	121.3	65%	0.652	64%	0.643	S	S	*	*	H	α-helix	trans	-66	-31.8	176.3	-67.7	-14.2	0	0	0	112.4	D987 E993	D987-D989 PolarHBondContact O-N 3.48Å; D987-D989 VanDerWaalsContact O-N 3.07Å; D989-E993 WeakPolarHBondContact O-CB 3.17Å; D989-E993 PolarHBondContact O-N 2.89Å; D989-E993 VanDerWaalsContact O-N 3.08Å
990	E	63.2	Low	52.9	Low	107 Å²	107	125 Å²	125	50%	0.5	64%	0.64	S	S	.	*	H	α-helix	trans	-74.6	-37.3	177.5	-116.8	-175.8	160.1	0	0	111.6	K986 D987 W988 E993 E994	K986-E990 HydrophobicContact CB-CB 4.06Å; K986-E990 WeakPolarHBondContact CB-OE2 3.35Å; K986-E990 HydrophobicContact CD-CB 4.42Å; K986-E990 WeakPolarHBondContact CD-OE2 3.5Å; K986-E990 WeakPolarHBondContact CG-OE2 3.3Å; D987-E990 WeakPolarHBondContact O-CB 3.37Å; D987-E990 PolarHBondContact O-N 3.25Å; W988-E990 VanDerWaalsContact C-N 3.31Å; W988-E990 PolarHBondContact O-N 2.92Å; E990-E993 PolarHBondContact O-N 3.26Å; E990-E994 VanDerWaalsContact O-CB 3.31Å; E990-E994 WeakPolarHBondContact O-CB 3.49Å; E990-E994 PolarHBondContact O-N 2.91Å
991	L	66.1	Low	54.2	Low	93 Å²	93	125.6 Å²	125.6	49%	0.487	63%	0.63	S	S	.	*	H	α-helix	trans	-70.5	-36.2	175.3	-90.4	164.7	0	0	0	112.2	D987 W988 E993 E994 A995	D987-L991 PolarHBondContact O-N 2.95Å; W988-L991 PolarHBondContact O-N 3.37Å; L991-E993 VanDerWaalsContact C-N 3.35Å; L991-E994 PolarHBondContact O-N 2.93Å; L991-A995 WeakPolarHBondContact O-CB 3.31Å; L991-A995 PolarHBondContact O-N 2.9Å
992	E	64.9	Low	55.2	Low	138 Å²	138	120.7 Å²	120.7	65%	0.645	62%	0.615	S	S	*	*	H	α-helix	trans	-71.1	-33.6	176	-156.2	170.9	-143.8	0	0	111.1	W988 R996	W988-E992 WeakPolarHBondContact O-CB 3.32Å; W988-E992 PolarHBondContact O-N 2.98Å; E992-R996 VanDerWaalsContact O-CB 3.3Å; E992-R996 WeakPolarHBondContact O-CB 3.25Å; E992-R996 PolarHBondContact O-N 3.49Å
993	E	67.9	Low	56	Low	108 Å²	108	119.1 Å²	119.1	51%	0.505	61%	0.607	S	S	.	*	H	α-helix	trans	-72	-34.7	171.9	-166.8	133.5	-120.5	0	0	113	D989 E990 L991 R996 K997	D989-E993 WeakPolarHBondContact O-CB 3.17Å; D989-E993 PolarHBondContact O-N 2.89Å; D989-E993 VanDerWaalsContact O-N 3.08Å; E990-E993 PolarHBondContact O-N 3.26Å; L991-E993 VanDerWaalsContact C-N 3.35Å; E993-R996 PolarHBondContact O-N 3.02Å; E993-R996 IonicContact OE1-CZ 3.31Å; E993-R996 VanDerWaalsContact OE1-CZ 3.31Å; E993-R996 IonicContact OE1-NH1 3.02Å; E993-R996 PolarHBondContact OE1-NH1 3.11Å; E993-R996 IonicContact OE1-NH2 3.25Å; E993-R996 PolarHBondContact OE1-NH2 2.88Å; E993-K997 VanDerWaalsContact O-CB 3.3Å; E993-K997 WeakPolarHBondContact O-CB 3.31Å; E993-K997 PolarHBondContact O-N 3.29Å
994	E	69.9	Low	56.6	Low	100 Å²	100	118.7 Å²	118.7	47%	0.467	60%	0.599	S	S	.	*	H	α-helix	trans	-70.7	-38.9	175.3	-154.1	160.7	-145.5	0	0	111.2	K986 E990 L991 K997 A998	K986-E994 IonicContact NZ-OE1 3.72Å; K986-E994 PolarHBondContact NZ-OE1 3.27Å; K986-E994 IonicContact NZ-OE2 2.66Å; K986-E994 PolarHBondContact NZ-OE2 3.28Å; E990-E994 VanDerWaalsContact O-CB 3.31Å; E990-E994 WeakPolarHBondContact O-CB 3.49Å; E990-E994 PolarHBondContact O-N 2.91Å; L991-E994 PolarHBondContact O-N 2.93Å; E994-K997 PolarHBondContact O-N 3Å; E994-A998 WeakPolarHBondContact O-CB 3.43Å; E994-A998 PolarHBondContact O-N 3.01Å
995	A	64.1	Low	56.7	Low	53 Å²	53	121.4 Å²	121.4	44%	0.438	60%	0.598	S	S	.	*	H	α-helix	trans	-65.7	-43.1	171	0	0	0	0	0	112.2	L991 K997 A998 D999	L991-A995 WeakPolarHBondContact O-CB 3.31Å; L991-A995 PolarHBondContact O-N 2.9Å; A995-K997 PolarHBondContact O-N 2.76Å; A995-A998 PolarHBondContact O-N 2.98Å; A995-D999 PolarHBondContact O-N 2.89Å
996	R	62.4	Low	56.7	Low	149 Å²	149	125.5 Å²	125.5	56%	0.562	60%	0.603	S	S	*	*	H	α-helix	trans	-63.1	-28.8	174.8	-144.9	-164.8	-34.1	135.8	10.4	112.2	E992 E993 K1000	E992-R996 VanDerWaalsContact O-CB 3.3Å; E992-R996 WeakPolarHBondContact O-CB 3.25Å; E992-R996 PolarHBondContact O-N 3.49Å; E993-R996 PolarHBondContact O-N 3.02Å; E993-R996 IonicContact OE1-CZ 3.31Å; E993-R996 VanDerWaalsContact OE1-CZ 3.31Å; E993-R996 IonicContact OE1-NH1 3.02Å; E993-R996 PolarHBondContact OE1-NH1 3.11Å; E993-R996 IonicContact OE1-NH2 3.25Å; E993-R996 PolarHBondContact OE1-NH2 2.88Å; R996-K1000 VanDerWaalsContact O-CB 3.31Å; R996-K1000 WeakPolarHBondContact O-CB 3.47Å; R996-K1000 PolarHBondContact O-N 3Å
997	K	68.6	Low	56	Low	134 Å²	134	128.5 Å²	128.5	58%	0.583	62%	0.619	S	S	*	*	H	α-helix	trans	-80.4	-37.4	177.6	-162	177.7	-179.9	-172.6	0	111.7	E993 E994 A995 K1000 E1001	E993-K997 VanDerWaalsContact O-CB 3.3Å; E993-K997 WeakPolarHBondContact O-CB 3.31Å; E993-K997 PolarHBondContact O-N 3.29Å; E994-K997 PolarHBondContact O-N 3Å; A995-K997 PolarHBondContact O-N 2.76Å; K997-K1000 CarbonylContact O-C 3.51Å; K997-K1000 WeakPolarHBondContact O-CB 3.36Å; K997-K1000 PolarHBondContact O-N 3.02Å; K997-E1001 PolarHBondContact O-N 3.49Å
998	A	65.4	Low	55.4	Low	52 Å²	52	130.2 Å²	130.2	43%	0.43	63%	0.628	S	S	.	*	H	α-helix	trans	-67.2	-39	172.9	0	0	0	0	0	112.5	E994 A995 K1000 E1001 S1002	E994-A998 WeakPolarHBondContact O-CB 3.43Å; E994-A998 PolarHBondContact O-N 3.01Å; A995-A998 PolarHBondContact O-N 2.98Å; A998-K1000 PolarHBondContact O-N 3Å; A998-E1001 PolarHBondContact O-N 3.44Å; A998-S1002 PolarHBondContact O-N 2.98Å
999	D	64.8	Low	54.7	Low	117 Å²	117	126.7 Å²	126.7	63%	0.626	63%	0.63	S	S	*	*	H	α-helix	trans	-67.7	-26.8	171.7	-82.9	-8.9	0	0	0	112.3	A995 S1002	A995-D999 PolarHBondContact O-N 2.89Å; D999-S1002 PolarHBondContact O-OG 3.37Å
1000	K	59.9	Low	53.2	Low	147 Å²	147	126.4 Å²	126.4	64%	0.639	64%	0.637	S	S	*	*	H	α-helix	trans	-80.4	-30.4	174.3	-155.1	174.2	-172.6	179.3	0	112.1	R996 K997 A998 Y1004	R996-K1000 VanDerWaalsContact O-CB 3.31Å; R996-K1000 WeakPolarHBondContact O-CB 3.47Å; R996-K1000 PolarHBondContact O-N 3Å; K997-K1000 CarbonylContact O-C 3.51Å; K997-K1000 WeakPolarHBondContact O-CB 3.36Å; K997-K1000 PolarHBondContact O-N 3.02Å; A998-K1000 PolarHBondContact O-N 3Å; K1000-Y1004 WeakPolarHBondContact O-CD2 3.3Å
1001	E	52.4	Low	51.6	Low	125 Å²	125	129 Å²	129	58%	0.584	65%	0.654	S	S	*	*	H	α-helix	trans	-76.6	-35.7	173.3	-85.8	177.2	169.4	0	0	112.2	K997 A998 H1003 Y1004	K997-E1001 PolarHBondContact O-N 3.49Å; A998-E1001 PolarHBondContact O-N 3.44Å; E1001-H1003 PolarHBondContact O-N 2.94Å; E1001-Y1004 PolarHBondContact O-N 3.44Å
1002	S	48.8	Very low	49.9	Very low	73 Å²	73	135 Å²	135	51%	0.51	67%	0.67	S	S	.	*	H	α-helix	trans	-65.6	-23.6	173.1	87.6	0	0	0	0	112.5	A998 D999 Y1004	A998-S1002 PolarHBondContact O-N 2.98Å; D999-S1002 PolarHBondContact O-OG 3.37Å; S1002-Y1004 VanDerWaalsContact C-N 3.29Å; S1002-Y1004 PolarHBondContact O-N 2.93Å
1003	H	44.1	Very low	48.3	Very low	160 Å²	160	136.2 Å²	136.2	74%	0.741	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-7.7	174.7	-127.4	-45.7	0	0	0	114.5	E1001	E1001-H1003 PolarHBondContact O-N 2.94Å
1004	Y	45.7	Very low	46.5	Very low	189 Å²	189	142 Å²	142	74%	0.741	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-11.1	179.1	-89.8	-81.1	0	0	0	114.5	K1000 E1001 S1002	K1000-Y1004 WeakPolarHBondContact O-CD2 3.3Å; E1001-Y1004 PolarHBondContact O-N 3.44Å; S1002-Y1004 VanDerWaalsContact C-N 3.29Å; S1002-Y1004 PolarHBondContact O-N 2.93Å
1005	E	38.8	Very low	44.6	Very low	177 Å²	177	147.7 Å²	147.7	83%	0.827	71%	0.714	S	S	*	*	S	Bend	trans	-90	-7.3	179	-73.5	-167.9	155.1	0	0	114.5
1006	D	37.1	Very low	42.9	Very low	157 Å²	157	149.2 Å²	149.2	84%	0.84	73%	0.727	S	S	*	*	S	Bend	trans	-100.8	20.1	-179.1	-100.7	-12.7	0	0	0	114.6
1007	E	33.7	Very low	41.3	Very low	172 Å²	172	153.8 Å²	153.8	80%	0.804	74%	0.744	S	S	*	*	S	Bend	trans	-109.7	26.3	178.6	-132.6	-173.9	-157.5	0	0	115.5
1008	D	37.4	Very low	39.4	Very low	155 Å²	155	152.4 Å²	152.4	83%	0.829	75%	0.751	S	S	*	*	S	Bend	trans	-144	64.7	169.5	-113.7	-25	0	0	0	113.4
1009	T	32	Very low	37.7	Very low	133 Å²	133	155.5 Å²	155.5	82%	0.816	77%	0.77	S	S	*	*	S	Bend	trans	-169.6	113.9	137.9	31.9	0	0	0	0	113.5
1010	S	30.9	Very low	36.2	Very low	116 Å²	116	154.4 Å²	154.4	81%	0.811	78%	0.777	S	S	*	*			trans	69.5	73.9	145.7	74.4	0	0	0	0	119.5	R1012	S1010-R1012 PolarHBondContact O-N 3.14Å
1011	N	28.7	Very low	35.2	Very low	160 Å²	160	153.8 Å²	153.8	86%	0.856	79%	0.788	S	S	*	*			trans	-33.3	115.1	142.8	-139	-20.3	0	0	0	114.3
1012	R	29.5	Very low	34.2	Very low	219 Å²	219	156.7 Å²	156.7	83%	0.826	80%	0.801	S	S	*	*			trans	-175.2	115.9	138.5	-104	166.1	-173.7	-172.6	5	115.2	S1010	S1010-R1012 PolarHBondContact O-N 3.14Å
1013	K	31.3	Very low	33.3	Very low	165 Å²	165	157.9 Å²	157.9	72%	0.717	81%	0.81	S	S	*	*			trans	73.1	133	143.2	-74.9	177.7	-179.2	175.3	0	116.3
1014	R	31	Very low	32.7	Very low	229 Å²	229	155.1 Å²	155.1	86%	0.864	81%	0.809	S	S	*	*			cis	-170.9	136	33.8	-110.8	153.5	174	176.7	-1.7	107.2
1015	K	29.6	Very low	32.1	Very low	219 Å²	219	155.3 Å²	155.3	95%	0.952	81%	0.813	S	S	*	*			trans	-125.5	137.8	159.3	-139.6	175.8	-172.3	175.4	0	109.2
1016	A	29.7	Very low	31.9	Very low	86 Å²	86	155.8 Å²	155.8	71%	0.711	81%	0.813	S	S	*	*			trans	-94.5	142.5	-165.1	0	0	0	0	0	113.1
1017	R	29	Very low	31.8	Very low	244 Å²	244	157.2 Å²	157.2	92%	0.921	81%	0.811	S	S	*	*			trans	50.1	126.9	144.1	-67.9	179.4	168.2	177.6	-3.4	118.2
1018	S	28.2	Very low	31.8	Very low	105 Å²	105	158.6 Å²	158.6	73%	0.734	81%	0.809	S	S	*	*				-157.2	149.3	68	51.2	0	0	0	0	116.9
1019	S	30.1	Very low	31.8	Very low	117 Å²	117	161.7 Å²	161.7	82%	0.818	81%	0.809	S	S	*	*			trans	65.7	127.5	150.1	58.3	0	0	0	0	122.7
1020	A	32	Very low	32	Very low	94 Å²	94	164.5 Å²	164.5	78%	0.777	83%	0.834	S	S	*	*			trans	-75.9	172.3	178.9	0	0	0	0	0	113.8
1021	P	40.3	Very low	32	Very low	135 Å²	135	166.9 Å²	166.9	88%	0.877	84%	0.835	S	S	*	*				-143.5	177.8	77.6	33.3	-12.3	0	0	0	116.4
1022	H	30.5	Very low	32.2	Very low	185 Å²	185	167.3 Å²	167.3	86%	0.856	83%	0.834	S	S	*	*			trans	-67.4	144.4	-168.1	-105.5	-72	0	0	0	118.5
1023	S	30.2	Very low	32.3	Very low	98 Å²	98	164.4 Å²	164.4	69%	0.685	84%	0.835	S	S	*	*			trans	81	128.8	133.2	87.1	0	0	0	0	122.7
1024	S	31.6	Very low	32.4	Very low	103 Å²	103	164.4 Å²	164.4	72%	0.72	84%	0.842	S	S	*	*			trans	110.3	116.6	134.9	83.1	0	0	0	0	119.8
1025	K	33.4	Very low	32.5	Very low	192 Å²	192	160.3 Å²	160.3	84%	0.835	84%	0.84	S	S	*	*			trans	66.1	135.1	133.9	-81.7	179.3	179.1	170.4	0	122.1
1026	K	33.5	Very low	32.7	Very low	188 Å²	188	156.4 Å²	156.4	82%	0.817	83%	0.833	S	S	*	*			trans	82.9	117.1	149.5	-74.1	174.4	175.8	177.9	0	116.6
1027	K	34.4	Very low	32.9	Very low	187 Å²	187	161.4 Å²	161.4	81%	0.813	84%	0.842	S	S	*	*				85.4	119	73.1	-133.2	-177	-167	180	0	112.2
1028	R	35.2	Very low	33.2	Very low	201 Å²	201	155.1 Å²	155.1	76%	0.758	84%	0.835	S	S	*	*			trans	82.1	121	146.8	-101.6	-179.3	156.4	179.7	-7.5	120.6
1029	R	36	Very low	33.6	Very low	219 Å²	219	159.3 Å²	159.3	83%	0.826	84%	0.844	S	S	*	*				43.8	121.5	127.4	-81.3	-174.6	169.4	177.8	-3.8	118.7
1030	S	36.5	Very low	33.9	Very low	192 Å²	192	163.1 Å²	163.1	100%	1.343	85%	0.846	S	S	*	*				-152.4	0	104.1	61.9	0	0	0	0	108.9

Retrieved 1,030 of 1,030 residues in 1916.7 ms (Link to these results)

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