A0A096N5G7_PAPAN Loading...

Apoptosis-resistant E3 ubiquitin protein ligase 1

E3 ubiquitin-protein ligase that catalyzes 'Lys-11'- or 'Lys-33'-linked polyubiquitin chains, with some preference for 'Lys-33' linkages. E3 ubiquitin-protein ligases accept ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and then directly transfers the ubiquitin to targeted substrates. Ubiquitinates SEPTIN4, DIABLO/SMAC and HTRA2 in vitro. Modulates pulmonary inflammation by targeting SOCS2 for ubiquitination and subsequent degradation by the proteasome.

AlphaFold DB (O15033), UniProt , Accession A0A096N5G7, Species PAPAN (Papio anubis, Olive baboon), Gene AREL1, Length 823 aa.

						>A0A096N5G7_PAPAN|A0A096N5G7|AREL1
MFYVIGGITVSVVAFFFTIKFLFELAARVVSFLQNEDRERRGDRTIYDYVRGNYLDPRSCKVSWDWKDPYEVGHSMAFRVHLFYKNGQPFPAHRPVGLRVHISHVELAVEIPVTQEVLQEPNSNVVKVAFTVRKAGRYEITVKLGGLNVAYSPYYKIFQPGMVVPSKTKIVCHFSTLVLTCGQPHTLQIVPRDEYDNPTNNSMSLRDEHNYTLSIHELGPQEEESTGVSFEKSVTSNRQTFQVFLRLTLHSRGCFHACISYQNQPINNGEFDIIVLSEDEKNIVERNVSTSGVSIYFEAYLYNATNCSSTPWHLPPMHMTSSQRRPSTAVDEEDEDSPSECHTPEKVKKPKKVYCYVSPKQFSVKEFYLKIIPWRLYTFRVCPGTKFSYLGPDPVHKLLTLVVDDGIQPPVELSCKERNILAATFIRSLHKNIGGSETFQDKVNFFQRELRQVHMKRPHSKVTLKVSRHALLESSLKATRNFSISDWSKNFEVVFQDEEALDWGGPRREWFELICKALFDTTNQLFTRFSDNNQALVHPNPNRPAHLRLKMYEFAGRLVGKCLYESSLGGAYKQLVRARFTRSFLAQIIGLRMHYKYFETDDPEFYKSKVCFILNNDMSEMELVFAEEKYNKSGQLDKVVELMTGGAQTPVTNANKIFYLNLLAQYRLASQVKEEVEHFLKGLNELVPENLLAIFDENELELLMCGTGDISVSDFKAHAVVVGGSWHFREKVMRWFWTVVSSLTQEELARLLQFTTGSSQLPPGGFAALCPSFQIIAAPTHSTLPTAHTCFNQLCLPTYDSYEEVHRMLQLAISEGCEGFGML
					

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(Predicted Aligned Error values between residue pairs)

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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	53	Low	68.2	Low	190 Å²	190	111.5 Å²	111.5	94%	0.936	60%	0.602	S	S	*	*				0	-52.1	0	-141.6	177.4	-174.6	0	0	112.4	Y3 V4 I5	M1-Y3 PolarHBondContact O-N 3.14Å; M1-V4 PolarHBondContact O-N 3.4Å; M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 PolarHBondContact O-N 3.02Å; M1-I5 VanDerWaalsContact O-N 3.12Å
2	F	59.5	Low	69.2	Low	184 Å²	184	107.5 Å²	107.5	81%	0.807	58%	0.584	S	S	*	*	H	α-helix	trans	-55.8	-40.6	179	-75.9	-82	0	0	0	115.5	V4 G6	F2-V4 PolarHBondContact O-N 3.43Å; F2-G6 PolarHBondContact O-N 3.09Å
3	Y	62.2	Low	69.9	Low	224 Å²	224	104.8 Å²	104.8	88%	0.878	57%	0.573	S	S	*	*	H	α-helix	trans	-65.1	-35.5	177.2	-82.5	-83.1	0	0	0	114	M1 G7	M1-Y3 PolarHBondContact O-N 3.14Å; Y3-G7 PolarHBondContact O-N 3.01Å
4	V	68.2	Low	70.4	Confident	99 Å²	99	100.9 Å²	100.9	60%	0.6	56%	0.561	S	S	*	*	H	α-helix	trans	-75.7	-41.7	179.6	179.9	0	0	0	0	110.6	M1 F2 G6 G7 I8	M1-V4 PolarHBondContact O-N 3.4Å; F2-V4 PolarHBondContact O-N 3.43Å; V4-G6 VanDerWaalsContact C-N 3.34Å; V4-G7 PolarHBondContact O-N 3.31Å; V4-I8 HydrophobicContact CG1-CD1 4.07Å; V4-I8 WeakPolarHBondContact O-CG1 3.5Å; V4-I8 PolarHBondContact O-N 3.08Å
5	I	68	Low	71.1	Confident	95 Å²	95	102.5 Å²	102.5	49%	0.487	56%	0.561	S	S	.	*	H	α-helix	trans	-63.2	-42.4	174.7	-64	169.5	0	0	0	110.2	M1 I8 T9	M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 PolarHBondContact O-N 3.02Å; M1-I5 VanDerWaalsContact O-N 3.12Å; I5-I8 PolarHBondContact O-N 3.28Å; I5-T9 PolarHBondContact O-N 3.11Å; I5-T9 PolarHBondContact O-OG1 3.49Å
6	G	63.8	Low	71.8	Confident	30 Å²	30	104.7 Å²	104.7	31%	0.309	56%	0.563	S	S	.	*	H	α-helix	trans	-61.5	-43.8	175.2	0	0	0	0	0	113	F2 V4 T9 V10	F2-G6 PolarHBondContact O-N 3.09Å; V4-G6 VanDerWaalsContact C-N 3.34Å; G6-T9 WeakPolarHBondContact CA-OG1 3.22Å; G6-T9 PolarHBondContact O-N 2.84Å; G6-T9 PolarHBondContact O-OG1 3.32Å; G6-V10 WeakPolarHBondContact O-CB 3.3Å; G6-V10 VanDerWaalsContact O-CG2 3.26Å; G6-V10 WeakPolarHBondContact O-CG2 3.17Å; G6-V10 PolarHBondContact O-N 3.13Å
7	G	69.3	Low	72.2	Confident	40 Å²	40	106.7 Å²	106.7	41%	0.412	57%	0.566	S	S	.	*	H	α-helix	trans	-62.3	-43.6	175.1	0	0	0	0	0	112.9	Y3 V4 V10 S11	Y3-G7 PolarHBondContact O-N 3.01Å; V4-G7 PolarHBondContact O-N 3.31Å; G7-V10 PolarHBondContact O-N 3.15Å; G7-S11 WeakPolarHBondContact O-CB 3.27Å; G7-S11 PolarHBondContact O-N 2.85Å
8	I	76	Confident	72.5	Confident	103 Å²	103	105.1 Å²	105.1	53%	0.528	56%	0.561	S	S	.	*	H	α-helix	trans	-65.9	-43.2	176	-65.1	166.9	0	0	0	110.7	V4 I5 S11 V12	V4-I8 HydrophobicContact CG1-CD1 4.07Å; V4-I8 WeakPolarHBondContact O-CG1 3.5Å; V4-I8 PolarHBondContact O-N 3.08Å; I5-I8 PolarHBondContact O-N 3.28Å; I8-S11 PolarHBondContact O-N 2.95Å; I8-V12 HydrophobicContact CG2-CG2 4.05Å; I8-V12 VanDerWaalsContact O-CB 3.29Å; I8-V12 WeakPolarHBondContact O-CB 3.39Å; I8-V12 WeakPolarHBondContact O-CG2 3.4Å; I8-V12 PolarHBondContact O-N 2.58Å
9	T	75.7	Confident	72.9	Confident	77 Å²	77	102.4 Å²	102.4	47%	0.472	55%	0.546	S	S	.	.	H	α-helix	trans	-64	-43.4	177.3	19.6	0	0	0	0	111.6	I5 G6 V12 V13	I5-T9 PolarHBondContact O-N 3.11Å; I5-T9 PolarHBondContact O-OG1 3.49Å; G6-T9 WeakPolarHBondContact CA-OG1 3.22Å; G6-T9 PolarHBondContact O-N 2.84Å; G6-T9 PolarHBondContact O-OG1 3.32Å; T9-V12 PolarHBondContact O-N 3.34Å; T9-V13 VanDerWaalsContact O-CB 3.25Å; T9-V13 WeakPolarHBondContact O-CB 3.42Å; T9-V13 WeakPolarHBondContact O-CG2 3.39Å; T9-V13 PolarHBondContact O-N 3.19Å
10	V	76.7	Confident	73.2	Confident	103 Å²	103	103.5 Å²	103.5	62%	0.624	55%	0.546	S	S	*	.	H	α-helix	trans	-62.9	-43.5	175.8	172.6	0	0	0	0	111	G6 G7 V13 A14	G6-V10 WeakPolarHBondContact O-CB 3.3Å; G6-V10 VanDerWaalsContact O-CG2 3.26Å; G6-V10 WeakPolarHBondContact O-CG2 3.17Å; G6-V10 PolarHBondContact O-N 3.13Å; G7-V10 PolarHBondContact O-N 3.15Å; V10-V13 PolarHBondContact O-N 3.24Å; V10-A14 WeakPolarHBondContact O-CB 3.38Å; V10-A14 PolarHBondContact O-N 2.7Å
11	S	77.9	Confident	73.5	Confident	81 Å²	81	104 Å²	104	57%	0.566	54%	0.543	S	S	*	.	H	α-helix	trans	-64.9	-41.3	175.6	-86.8	0	0	0	0	112.8	G7 I8 A14 F15	G7-S11 WeakPolarHBondContact O-CB 3.27Å; G7-S11 PolarHBondContact O-N 2.85Å; I8-S11 PolarHBondContact O-N 2.95Å; S11-A14 PolarHBondContact O-N 2.83Å; S11-F15 WeakPolarHBondContact O-CB 3.5Å; S11-F15 PolarHBondContact O-N 3.21Å
12	V	79.7	Confident	74.7	Confident	64 Å²	64	100 Å²	100	39%	0.388	53%	0.525	S	S	.	.	H	α-helix	trans	-65.9	-44.5	177.1	168.7	0	0	0	0	110.2	I8 T9 F15 F16	I8-V12 HydrophobicContact CG2-CG2 4.05Å; I8-V12 VanDerWaalsContact O-CB 3.29Å; I8-V12 WeakPolarHBondContact O-CB 3.39Å; I8-V12 WeakPolarHBondContact O-CG2 3.4Å; I8-V12 PolarHBondContact O-N 2.58Å; T9-V12 PolarHBondContact O-N 3.34Å; V12-F15 WeakPolarHBondContact O-CB 3.41Å; V12-F15 PolarHBondContact O-N 3.06Å; V12-F16 HydrophobicContact CG1-CD2 3.58Å; V12-F16 HydrophobicContact CG1-CE2 3.37Å; V12-F16 WeakPolarHBondContact O-CD2 3.19Å; V12-F16 PolarHBondContact O-N 2.81Å
13	V	79	Confident	75.6	Confident	73 Å²	73	98.5 Å²	98.5	44%	0.442	52%	0.519	S	S	.	.	H	α-helix	trans	-61.8	-47.9	174.8	170.1	0	0	0	0	110.3	T9 V10 F15 F16 F17	T9-V13 VanDerWaalsContact O-CB 3.25Å; T9-V13 WeakPolarHBondContact O-CB 3.42Å; T9-V13 WeakPolarHBondContact O-CG2 3.39Å; T9-V13 PolarHBondContact O-N 3.19Å; V10-V13 PolarHBondContact O-N 3.24Å; V13-F15 VanDerWaalsContact C-N 3.29Å; V13-F15 PolarHBondContact O-N 3.22Å; V13-F16 PolarHBondContact O-N 3.13Å; V13-F17 HydrophobicContact CG1-CD2 3.53Å; V13-F17 HydrophobicContact CG1-CE2 3.47Å; V13-F17 VanDerWaalsContact CG1-CE2 3.47Å; V13-F17 WeakPolarHBondContact O-CD2 3.38Å; V13-F17 PolarHBondContact O-N 3.26Å
14	A	77.1	Confident	76.3	Confident	49 Å²	49	91.5 Å²	91.5	41%	0.405	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-38	176.3	0	0	0	0	0	112	V10 S11 F17 T18	V10-A14 WeakPolarHBondContact O-CB 3.38Å; V10-A14 PolarHBondContact O-N 2.7Å; S11-A14 PolarHBondContact O-N 2.83Å; A14-F17 PolarHBondContact O-N 3.34Å; A14-T18 WeakPolarHBondContact O-CB 3.2Å; A14-T18 PolarHBondContact O-N 3.42Å; A14-T18 PolarHBondContact O-OG1 2.74Å
15	F	81.2	Confident	76.6	Confident	126 Å²	126	89 Å²	89	55%	0.553	48%	0.477	S	S	*	.	H	α-helix	trans	-65.6	-45	174.7	-175	-108.4	0	0	0	111.7	S11 V12 V13 F17 T18 I19	S11-F15 WeakPolarHBondContact O-CB 3.5Å; S11-F15 PolarHBondContact O-N 3.21Å; V12-F15 WeakPolarHBondContact O-CB 3.41Å; V12-F15 PolarHBondContact O-N 3.06Å; V13-F15 VanDerWaalsContact C-N 3.29Å; V13-F15 PolarHBondContact O-N 3.22Å; F15-F17 VanDerWaalsContact C-N 3.34Å; F15-F17 PolarHBondContact O-N 3.11Å; F15-T18 VanDerWaalsContact CA-OG1 3.24Å; F15-T18 WeakPolarHBondContact CA-OG1 3.32Å; F15-T18 PolarHBondContact O-N 3.01Å; F15-T18 PolarHBondContact O-OG1 3.36Å; F15-T18 VanDerWaalsContact O-OG1 3.08Å; F15-I19 HydrophobicContact CD1-CD1 3.66Å; F15-I19 HydrophobicContact CD1-CG1 4.4Å; F15-I19 HydrophobicContact CD2-CD1 4.46Å; F15-I19 HydrophobicContact CE1-CD1 3.15Å; F15-I19 HydrophobicContact CE1-CG1 4.18Å; F15-I19 HydrophobicContact CE2-CD1 4.03Å; F15-I19 HydrophobicContact CE2-CG1 4.35Å; F15-I19 HydrophobicContact CG-CD1 4.3Å; F15-I19 HydrophobicContact CZ-CD1 3.38Å; F15-I19 HydrophobicContact CZ-CG1 4.17Å; F15-I19 VanDerWaalsContact O-CB 3.31Å; F15-I19 WeakPolarHBondContact O-CB 3.32Å; F15-I19 WeakPolarHBondContact O-CG1 3.49Å; F15-I19 PolarHBondContact O-N 3.47Å
16	F	80.9	Confident	77	Confident	137 Å²	137	86.9 Å²	86.9	60%	0.601	47%	0.474	S	S	*	.	H	α-helix	trans	-62.5	-40.5	173.3	-81.2	-65.7	0	0	0	112	V12 V13 K20	V12-F16 HydrophobicContact CG1-CD2 3.58Å; V12-F16 HydrophobicContact CG1-CE2 3.37Å; V12-F16 WeakPolarHBondContact O-CD2 3.19Å; V12-F16 PolarHBondContact O-N 2.81Å; V13-F16 PolarHBondContact O-N 3.13Å; F16-K20 WeakPolarHBondContact O-CB 3.22Å; F16-K20 PolarHBondContact O-N 3.29Å
17	F	78.8	Confident	77.5	Confident	139 Å²	139	88.1 Å²	88.1	61%	0.61	48%	0.481	S	S	*	.	H	α-helix	trans	-65.6	-42.3	175	-86.5	-71.2	0	0	0	112.3	V13 A14 F15 K20 F21	V13-F17 HydrophobicContact CG1-CD2 3.53Å; V13-F17 HydrophobicContact CG1-CE2 3.47Å; V13-F17 VanDerWaalsContact CG1-CE2 3.47Å; V13-F17 WeakPolarHBondContact O-CD2 3.38Å; V13-F17 PolarHBondContact O-N 3.26Å; A14-F17 PolarHBondContact O-N 3.34Å; F15-F17 VanDerWaalsContact C-N 3.34Å; F15-F17 PolarHBondContact O-N 3.11Å; F17-K20 PolarHBondContact O-N 3.31Å; F17-F21 VanDerWaalsContact O-CB 3.23Å; F17-F21 WeakPolarHBondContact O-CB 3.49Å; F17-F21 PolarHBondContact O-N 3.01Å
18	T	78.5	Confident	77.5	Confident	77 Å²	77	88.4 Å²	88.4	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-69.1	-41	177.2	31.8	0	0	0	0	111.9	A14 F15 F21 L22	A14-T18 WeakPolarHBondContact O-CB 3.2Å; A14-T18 PolarHBondContact O-N 3.42Å; A14-T18 PolarHBondContact O-OG1 2.74Å; F15-T18 VanDerWaalsContact CA-OG1 3.24Å; F15-T18 WeakPolarHBondContact CA-OG1 3.32Å; F15-T18 PolarHBondContact O-N 3.01Å; F15-T18 PolarHBondContact O-OG1 3.36Å; F15-T18 VanDerWaalsContact O-OG1 3.08Å; T18-F21 PolarHBondContact O-N 2.99Å; T18-L22 WeakPolarHBondContact O-CB 3.32Å; T18-L22 VanDerWaalsContact O-CG 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.3Å; T18-L22 PolarHBondContact O-N 2.82Å
19	I	80.2	Confident	77.2	Confident	55 Å²	55	85.9 Å²	85.9	28%	0.282	46%	0.459	S	S	.	.	H	α-helix	trans	-59.5	-50.3	172.2	-78.2	-176.4	0	0	0	110.3	F15 F21 L22 F23	F15-I19 HydrophobicContact CD1-CD1 3.66Å; F15-I19 HydrophobicContact CD1-CG1 4.4Å; F15-I19 HydrophobicContact CD2-CD1 4.46Å; F15-I19 HydrophobicContact CE1-CD1 3.15Å; F15-I19 HydrophobicContact CE1-CG1 4.18Å; F15-I19 HydrophobicContact CE2-CD1 4.03Å; F15-I19 HydrophobicContact CE2-CG1 4.35Å; F15-I19 HydrophobicContact CG-CD1 4.3Å; F15-I19 HydrophobicContact CZ-CD1 3.38Å; F15-I19 HydrophobicContact CZ-CG1 4.17Å; F15-I19 VanDerWaalsContact O-CB 3.31Å; F15-I19 WeakPolarHBondContact O-CB 3.32Å; F15-I19 WeakPolarHBondContact O-CG1 3.49Å; F15-I19 PolarHBondContact O-N 3.47Å; I19-F21 VanDerWaalsContact C-N 3.29Å; I19-F21 PolarHBondContact O-N 3.32Å; I19-L22 PolarHBondContact O-N 2.96Å; I19-F23 HydrophobicContact CG2-CD2 3.5Å; I19-F23 HydrophobicContact CG2-CE2 3.57Å; I19-F23 VanDerWaalsContact O-CD2 3.29Å; I19-F23 WeakPolarHBondContact O-CD2 3.35Å; I19-F23 PolarHBondContact O-N 2.65Å
20	K	79.1	Confident	76.9	Confident	124 Å²	124	85.5 Å²	85.5	54%	0.539	46%	0.456	S	S	.	.	H	α-helix	trans	-58.7	-44.1	178.1	-176.8	-179.7	176	-177	0	111	F16 F17 F23 E24	F16-K20 WeakPolarHBondContact O-CB 3.22Å; F16-K20 PolarHBondContact O-N 3.29Å; F17-K20 PolarHBondContact O-N 3.31Å; K20-F23 PolarHBondContact O-N 3.17Å; K20-E24 WeakPolarHBondContact CE-OE1 3.21Å; K20-E24 WeakPolarHBondContact O-CB 3.45Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.2Å
21	F	78	Confident	76.3	Confident	113 Å²	113	82 Å²	82	50%	0.496	44%	0.436	S	S	.	.	H	α-helix	trans	-62.1	-44.1	175.9	178.1	-97.5	0	0	0	112.1	F17 T18 I19 E24 L25	F17-F21 VanDerWaalsContact O-CB 3.23Å; F17-F21 WeakPolarHBondContact O-CB 3.49Å; F17-F21 PolarHBondContact O-N 3.01Å; T18-F21 PolarHBondContact O-N 2.99Å; I19-F21 VanDerWaalsContact C-N 3.29Å; I19-F21 PolarHBondContact O-N 3.32Å; F21-E24 PolarHBondContact O-N 3.46Å; F21-L25 HydrophobicContact CE1-CD2 4.31Å; F21-L25 VanDerWaalsContact O-CB 3.24Å; F21-L25 WeakPolarHBondContact O-CB 3.31Å; F21-L25 PolarHBondContact O-N 2.9Å
22	L	79.4	Confident	75.7	Confident	106 Å²	106	81.6 Å²	81.6	56%	0.555	42%	0.424	S	S	*	.	H	α-helix	trans	-64.7	-41.5	177.2	-77.7	167.2	0	0	0	111.8	T18 I19 L25 A26	T18-L22 WeakPolarHBondContact O-CB 3.32Å; T18-L22 VanDerWaalsContact O-CG 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.3Å; T18-L22 PolarHBondContact O-N 2.82Å; I19-L22 PolarHBondContact O-N 2.96Å; L22-L25 PolarHBondContact O-N 3.37Å; L22-A26 WeakPolarHBondContact O-CB 3.47Å; L22-A26 PolarHBondContact O-N 3.13Å
23	F	79	Confident	75.1	Confident	153 Å²	153	83 Å²	83	67%	0.671	43%	0.429	S	S	*	.	H	α-helix	trans	-64.5	-42.3	173.7	-87.1	-69.7	0	0	0	111.8	I19 K20 A27	I19-F23 HydrophobicContact CG2-CD2 3.5Å; I19-F23 HydrophobicContact CG2-CE2 3.57Å; I19-F23 VanDerWaalsContact O-CD2 3.29Å; I19-F23 WeakPolarHBondContact O-CD2 3.35Å; I19-F23 PolarHBondContact O-N 2.65Å; K20-F23 PolarHBondContact O-N 3.17Å; F23-A27 VanDerWaalsContact O-CB 3.27Å; F23-A27 WeakPolarHBondContact O-CB 3.44Å; F23-A27 PolarHBondContact O-N 3.27Å
24	E	76	Confident	74.4	Confident	77 Å²	77	86.6 Å²	86.6	36%	0.36	44%	0.441	S	S	.	.	H	α-helix	trans	-64.7	-40.9	174.5	-80	-171.7	-155.3	0	0	112.3	K20 F21 A27 R28	K20-E24 WeakPolarHBondContact CE-OE1 3.21Å; K20-E24 WeakPolarHBondContact O-CB 3.45Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.2Å; F21-E24 PolarHBondContact O-N 3.46Å; E24-A27 PolarHBondContact O-N 2.79Å; E24-R28 WeakPolarHBondContact O-CG 3.29Å; E24-R28 PolarHBondContact O-N 3.07Å; E24-R28 IonicContact OE2-CZ 3.55Å; E24-R28 IonicContact OE2-NH2 3.03Å; E24-R28 PolarHBondContact OE2-NH2 2.93Å
25	L	75.1	Confident	73.5	Confident	48 Å²	48	86.2 Å²	86.2	25%	0.251	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-47.6	177.2	-173.5	72.3	0	0	0	110.4	F21 L22 A27 R28 V29 V50	F21-L25 HydrophobicContact CE1-CD2 4.31Å; F21-L25 VanDerWaalsContact O-CB 3.24Å; F21-L25 WeakPolarHBondContact O-CB 3.31Å; F21-L25 PolarHBondContact O-N 2.9Å; L22-L25 PolarHBondContact O-N 3.37Å; L25-A27 VanDerWaalsContact C-N 3.32Å; L25-A27 PolarHBondContact O-N 2.92Å; L25-R28 WeakPolarHBondContact O-CB 3.44Å; L25-R28 PolarHBondContact O-N 2.82Å; L25-R28 VanDerWaalsContact O-N 3.09Å; L25-V29 WeakPolarHBondContact O-CG2 3.36Å; L25-V29 PolarHBondContact O-N 2.89Å; L25-V50 HydrophobicContact CD1-CB 4.42Å; L25-V50 HydrophobicContact CD1-CG1 3.94Å; L25-V50 HydrophobicContact CD1-CG2 3.86Å
26	A	76.6	Confident	72.1	Confident	50 Å²	50	87.5 Å²	87.5	41%	0.413	44%	0.44	S	S	.	.	H	α-helix	trans	-58.7	-44.4	174.7	0	0	0	0	0	110.9	L22 R28 V29 V30	L22-A26 WeakPolarHBondContact O-CB 3.47Å; L22-A26 PolarHBondContact O-N 3.13Å; A26-R28 VanDerWaalsContact C-N 3.32Å; A26-R28 PolarHBondContact O-N 3.48Å; A26-V29 PolarHBondContact O-N 2.77Å; A26-V30 WeakPolarHBondContact O-CB 3.45Å; A26-V30 VanDerWaalsContact O-CG2 3.26Å; A26-V30 WeakPolarHBondContact O-CG2 3.43Å; A26-V30 PolarHBondContact O-N 2.81Å
27	A	74	Confident	70.5	Confident	55 Å²	55	86.9 Å²	86.9	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-62.3	-36	174.7	0	0	0	0	0	112.7	F23 E24 L25 S31	F23-A27 VanDerWaalsContact O-CB 3.27Å; F23-A27 WeakPolarHBondContact O-CB 3.44Å; F23-A27 PolarHBondContact O-N 3.27Å; E24-A27 PolarHBondContact O-N 2.79Å; L25-A27 VanDerWaalsContact C-N 3.32Å; L25-A27 PolarHBondContact O-N 2.92Å; A27-S31 WeakPolarHBondContact O-CB 3.33Å; A27-S31 PolarHBondContact O-N 2.81Å
28	R	68.4	Low	68.9	Low	47 Å²	47	91.2 Å²	91.2	18%	0.177	46%	0.455	C	S	.	.	H	α-helix	trans	-68.1	-40.7	174.4	-71.5	167.7	-157.9	-159.6	5.6	111.7	E24 L25 A26 S31 F32 Y49 V50	E24-R28 WeakPolarHBondContact O-CG 3.29Å; E24-R28 PolarHBondContact O-N 3.07Å; E24-R28 IonicContact OE2-CZ 3.55Å; E24-R28 IonicContact OE2-NH2 3.03Å; E24-R28 PolarHBondContact OE2-NH2 2.93Å; L25-R28 WeakPolarHBondContact O-CB 3.44Å; L25-R28 PolarHBondContact O-N 2.82Å; L25-R28 VanDerWaalsContact O-N 3.09Å; A26-R28 VanDerWaalsContact C-N 3.32Å; A26-R28 PolarHBondContact O-N 3.48Å; R28-S31 PolarHBondContact O-N 3.47Å; R28-F32 PolarHBondContact O-N 3.41Å; R28-Y49 WeakPolarHBondContact CD-O 3.48Å; R28-V50 PolarHBondContact NH1-O 3.25Å
29	V	69.8	Low	67.4	Low	50 Å²	50	96.6 Å²	96.6	30%	0.303	48%	0.475	S	S	.	.	H	α-helix	trans	-68.1	-43.7	175.4	175.1	0	0	0	0	111	L25 A26 S31 F32 L33	L25-V29 WeakPolarHBondContact O-CG2 3.36Å; L25-V29 PolarHBondContact O-N 2.89Å; A26-V29 PolarHBondContact O-N 2.77Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-S31 PolarHBondContact O-N 3.12Å; V29-F32 VanDerWaalsContact O-CB 3.32Å; V29-F32 WeakPolarHBondContact O-CB 3.41Å; V29-F32 PolarHBondContact O-N 2.71Å; V29-F32 VanDerWaalsContact O-N 3.17Å; V29-L33 HydrophobicContact CG1-CD1 4.31Å; V29-L33 WeakPolarHBondContact O-CG 3.44Å; V29-L33 PolarHBondContact O-N 2.99Å
30	V	69.1	Low	65.9	Low	68 Å²	68	98.4 Å²	98.4	41%	0.412	48%	0.478	S	S	.	.	H	α-helix	trans	-62.3	-41.1	174.3	171.6	0	0	0	0	110.7	A26 F32 L33 Q34	A26-V30 WeakPolarHBondContact O-CB 3.45Å; A26-V30 VanDerWaalsContact O-CG2 3.26Å; A26-V30 WeakPolarHBondContact O-CG2 3.43Å; A26-V30 PolarHBondContact O-N 2.81Å; V30-F32 VanDerWaalsContact C-N 3.3Å; V30-F32 PolarHBondContact O-N 3.34Å; V30-L33 PolarHBondContact O-N 3.12Å; V30-Q34 HydrophobicContact CG1-CG 4.06Å; V30-Q34 WeakPolarHBondContact O-CB 3.41Å; V30-Q34 WeakPolarHBondContact O-CG 3.27Å; V30-Q34 PolarHBondContact O-N 3.46Å
31	S	65.3	Low	64.3	Low	29 Å²	29	103.6 Å²	103.6	20%	0.203	50%	0.495	C	S	.	.	H	α-helix	trans	-66.4	-30.6	175.2	-177.2	0	0	0	0	113.2	A27 R28 V29 N35	A27-S31 WeakPolarHBondContact O-CB 3.33Å; A27-S31 PolarHBondContact O-N 2.81Å; R28-S31 PolarHBondContact O-N 3.47Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-S31 PolarHBondContact O-N 3.12Å; S31-N35 WeakPolarHBondContact O-CB 3.47Å; S31-N35 PolarHBondContact O-N 2.87Å; S31-N35 PolarHBondContact O-ND2 2.96Å; S31-N35 PolarHBondContact OG-ND2 2.91Å
32	F	65.3	Low	62.9	Low	74 Å²	74	100.4 Å²	100.4	33%	0.325	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-45	169.8	172.8	-102	0	0	0	110.9	R28 V29 V30 Y49	R28-F32 PolarHBondContact O-N 3.41Å; V29-F32 VanDerWaalsContact O-CB 3.32Å; V29-F32 WeakPolarHBondContact O-CB 3.41Å; V29-F32 PolarHBondContact O-N 2.71Å; V29-F32 VanDerWaalsContact O-N 3.17Å; V30-F32 VanDerWaalsContact C-N 3.3Å; V30-F32 PolarHBondContact O-N 3.34Å; F32-Y49 HydrophobicContact CB-CD1 3.67Å; F32-Y49 HydrophobicContact CB-CD2 4.31Å; F32-Y49 HydrophobicContact CB-CE1 3.88Å; F32-Y49 HydrophobicContact CB-CG 3.88Å; F32-Y49 HydrophobicContact CD2-CD1 4.4Å; F32-Y49 AromaticContact CD2-CD2 3.53Å; F32-Y49 HydrophobicContact CD2-CD2 3.53Å; F32-Y49 HydrophobicContact CD2-CE1 4.42Å; F32-Y49 AromaticContact CD2-CE2 3.57Å; F32-Y49 HydrophobicContact CD2-CE2 3.57Å; F32-Y49 AromaticContact CD2-CG 3.96Å; F32-Y49 HydrophobicContact CD2-CG 3.96Å; F32-Y49 HydrophobicContact CE2-CD2 4.32Å; F32-Y49 HydrophobicContact CE2-CE2 4.33Å; F32-Y49 HydrophobicContact CG-CD2 4.35Å; F32-Y49 HydrophobicContact CG-CG 4.35Å
33	L	66.8	Low	61.7	Low	92 Å²	92	103.7 Å²	103.7	48%	0.482	51%	0.512	S	S	.	.	H	α-helix	trans	-70.1	-38.8	178.4	-64.6	171.5	0	0	0	113.2	V29 V30 E36	V29-L33 HydrophobicContact CG1-CD1 4.31Å; V29-L33 WeakPolarHBondContact O-CG 3.44Å; V29-L33 PolarHBondContact O-N 2.99Å; V30-L33 PolarHBondContact O-N 3.12Å; L33-E36 WeakPolarHBondContact O-CB 3.34Å; L33-E36 VanDerWaalsContact O-CG 3.28Å; L33-E36 WeakPolarHBondContact O-CG 3.46Å
34	Q	63.5	Low	61	Low	150 Å²	150	101 Å²	101	70%	0.701	50%	0.497	S	S	*	.	H	α-helix	trans	-74.2	-24.1	-177.7	-76.8	179.9	-17.4	0	0	114	V30 E36	V30-Q34 HydrophobicContact CG1-CG 4.06Å; V30-Q34 WeakPolarHBondContact O-CB 3.41Å; V30-Q34 WeakPolarHBondContact O-CG 3.27Å; V30-Q34 PolarHBondContact O-N 3.46Å; Q34-E36 PolarHBondContact O-N 2.8Å
35	N	58.3	Low	60.7	Low	41 Å²	41	100.5 Å²	100.5	22%	0.219	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	27.7	-179.5	-78.6	-43.9	0	0	0	112.8	S31 D37 R40	S31-N35 WeakPolarHBondContact O-CB 3.47Å; S31-N35 PolarHBondContact O-N 2.87Å; S31-N35 PolarHBondContact O-ND2 2.96Å; S31-N35 PolarHBondContact OG-ND2 2.91Å; N35-D37 PolarHBondContact O-N 2.77Å; N35-D37 VanDerWaalsContact O-N 3.09Å; N35-R40 PolarHBondContact OD1-NH1 3.09Å
36	E	51.9	Low	60.5	Low	152 Å²	152	102 Å²	102	71%	0.71	51%	0.507	S	S	*	.			trans	-67	2.3	-176.9	-100.5	-174	164.9	0	0	115.9	L33 Q34 R38	L33-E36 WeakPolarHBondContact O-CB 3.34Å; L33-E36 VanDerWaalsContact O-CG 3.28Å; L33-E36 WeakPolarHBondContact O-CG 3.46Å; Q34-E36 PolarHBondContact O-N 2.8Å; E36-R38 PolarHBondContact O-N 2.84Å
37	D	48	Very low	60.3	Low	125 Å²	125	107.9 Å²	107.9	67%	0.668	52%	0.519	S	S	*	.			trans	-60.1	113.1	174.1	-79.1	-30.4	0	0	0	110.8	N35 E39 R40	N35-D37 PolarHBondContact O-N 2.77Å; N35-D37 VanDerWaalsContact O-N 3.09Å; D37-E39 PolarHBondContact O-N 3.23Å; D37-R40 PolarHBondContact O-N 3.04Å; D37-R40 VanDerWaalsContact O-N 3.1Å
38	R	45.6	Very low	60.4	Low	230 Å²	230	107.2 Å²	107.2	87%	0.868	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-51.2	-22.9	-165	-80.5	173.6	145.1	-173.5	-6.3	116.4	E36 R40	E36-R38 PolarHBondContact O-N 2.84Å; R38-R40 VanDerWaalsContact C-N 3.32Å; R38-R40 PolarHBondContact O-N 3.35Å
39	E	47.1	Very low	60.6	Low	190 Å²	190	106 Å²	106	89%	0.888	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-77.5	-15	-178.4	-65.7	-174.2	168.3	0	0	113.6	D37 R41	D37-E39 PolarHBondContact O-N 3.23Å; E39-R41 PolarHBondContact O-N 2.84Å
40	R	47.9	Very low	60.9	Low	92 Å²	92	106.2 Å²	106.2	35%	0.347	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-85.1	0.8	-177.6	-68.7	-177.9	-179.7	-179.3	8.2	115	N35 D37 R38 G42 G145	N35-R40 PolarHBondContact OD1-NH1 3.09Å; D37-R40 PolarHBondContact O-N 3.04Å; D37-R40 VanDerWaalsContact O-N 3.1Å; R38-R40 VanDerWaalsContact C-N 3.32Å; R38-R40 PolarHBondContact O-N 3.35Å; R40-G42 VanDerWaalsContact C-N 3.32Å; R40-G42 PolarHBondContact O-N 3.13Å; R40-G145 PolarHBondContact NH2-O 3.3Å
41	R	44.4	Very low	61.4	Low	234 Å²	234	111.6 Å²	111.6	88%	0.883	52%	0.518	S	S	*	.			trans	-67.7	84.9	176.4	-84.5	-171.3	178.2	-170	0	111.2	E39	E39-R41 PolarHBondContact O-N 2.84Å
42	G	50.3	Low	62	Low	46 Å²	46	110.3 Å²	110.3	47%	0.474	51%	0.509	S	S	.	.	S	Bend	trans	-83.5	159.9	133.8	0	0	0	0	0	108.9	R40 R44	R40-G42 VanDerWaalsContact C-N 3.32Å; R40-G42 PolarHBondContact O-N 3.13Å; G42-R44 PolarHBondContact O-N 2.79Å
43	D	52.9	Low	62.8	Low	175 Å²	175	109.5 Å²	109.5	94%	0.936	51%	0.508	S	S	*	.	S	Bend	trans	-57.3	68.5	178.8	-68.7	-39.4	0	0	0	113.7
44	R	64.2	Low	63.4	Low	96 Å²	96	105.5 Å²	105.5	36%	0.362	49%	0.487	S	S	.	.			trans	-103.9	127.3	-178.8	-64.5	-177.3	-173.7	-179	4	110	G42	G42-R44 PolarHBondContact O-N 2.79Å
45	T	71.3	Confident	64.3	Low	67 Å²	67	99.2 Å²	99.2	41%	0.411	46%	0.458	S	S	.	.			trans	-96.6	161.5	-178.9	65.7	0	0	0	0	111	Y47 D48	T45-Y47 PolarHBondContact O-N 3.45Å; T45-Y47 WeakPolarHBondContact OG1-CB 3.42Å; T45-Y47 PolarHBondContact OG1-N 3.24Å; T45-D48 PolarHBondContact N-OD2 2.92Å; T45-D48 WeakPolarHBondContact O-CB 3.34Å; T45-D48 PolarHBondContact O-N 3.05Å; T45-D48 PolarHBondContact OG1-N 2.84Å; T45-D48 PolarHBondContact OG1-OD2 2.97Å
46	I	70.3	Confident	65.5	Low	78 Å²	78	98.5 Å²	98.5	40%	0.4	45%	0.454	S	S	.	.	H	α-helix	trans	-56	-31.4	169.9	-168.2	166.8	0	0	0	111.8	D48 Y49 V50	I46-D48 VanDerWaalsContact C-N 3.28Å; I46-D48 PolarHBondContact O-N 2.89Å; I46-Y49 WeakPolarHBondContact O-CB 3.36Å; I46-Y49 PolarHBondContact O-N 2.85Å; I46-Y49 VanDerWaalsContact O-N 3.14Å; I46-V50 WeakPolarHBondContact O-CG2 3.17Å; I46-V50 PolarHBondContact O-N 2.91Å
47	Y	72.9	Confident	67.1	Low	174 Å²	174	92.1 Å²	92.1	68%	0.682	43%	0.426	S	S	*	.	H	α-helix	trans	-60.5	-36.2	175.5	-70.9	-80.5	0	0	0	112.5	T45 Y49 V50 R51	T45-Y47 PolarHBondContact O-N 3.45Å; T45-Y47 WeakPolarHBondContact OG1-CB 3.42Å; T45-Y47 PolarHBondContact OG1-N 3.24Å; Y47-Y49 VanDerWaalsContact C-N 3.32Å; Y47-Y49 PolarHBondContact O-N 2.56Å; Y47-V50 PolarHBondContact O-N 2.94Å; Y47-R51 WeakPolarHBondContact O-CB 3.11Å; Y47-R51 PolarHBondContact O-N 3.4Å
48	D	74.6	Confident	69	Low	42 Å²	42	96 Å²	96	23%	0.225	43%	0.431	C	S	.	.	H	α-helix	trans	-65.5	-37.8	176	-61.9	-53.3	0	0	0	111.5	T45 I46 G52 N53	T45-D48 PolarHBondContact N-OD2 2.92Å; T45-D48 WeakPolarHBondContact O-CB 3.34Å; T45-D48 PolarHBondContact O-N 3.05Å; T45-D48 PolarHBondContact OG1-N 2.84Å; T45-D48 PolarHBondContact OG1-OD2 2.97Å; I46-D48 VanDerWaalsContact C-N 3.28Å; I46-D48 PolarHBondContact O-N 2.89Å; D48-G52 CarbonylContact O-C 3.54Å; D48-G52 PolarHBondContact O-N 2.85Å; D48-N53 HydrophobicContact CB-CB 4.16Å; D48-N53 PolarHBondContact O-N 2.9Å
49	Y	73.4	Confident	71.1	Confident	20 Å²	20	86.6 Å²	86.6	8%	0.078	40%	0.4	C	S	.	.	H	α-helix	trans	-68.1	-42.3	175	-85.2	-103.5	0	0	0	112.4	R28 F32 I46 Y47 G52 Y54	R28-Y49 WeakPolarHBondContact CD-O 3.48Å; F32-Y49 HydrophobicContact CB-CD1 3.67Å; F32-Y49 HydrophobicContact CB-CD2 4.31Å; F32-Y49 HydrophobicContact CB-CE1 3.88Å; F32-Y49 HydrophobicContact CB-CG 3.88Å; F32-Y49 HydrophobicContact CD2-CD1 4.4Å; F32-Y49 AromaticContact CD2-CD2 3.53Å; F32-Y49 HydrophobicContact CD2-CD2 3.53Å; F32-Y49 HydrophobicContact CD2-CE1 4.42Å; F32-Y49 AromaticContact CD2-CE2 3.57Å; F32-Y49 HydrophobicContact CD2-CE2 3.57Å; F32-Y49 AromaticContact CD2-CG 3.96Å; F32-Y49 HydrophobicContact CD2-CG 3.96Å; F32-Y49 HydrophobicContact CE2-CD2 4.32Å; F32-Y49 HydrophobicContact CE2-CE2 4.33Å; F32-Y49 HydrophobicContact CG-CD2 4.35Å; F32-Y49 HydrophobicContact CG-CG 4.35Å; I46-Y49 WeakPolarHBondContact O-CB 3.36Å; I46-Y49 PolarHBondContact O-N 2.85Å; I46-Y49 VanDerWaalsContact O-N 3.14Å; Y47-Y49 VanDerWaalsContact C-N 3.32Å; Y47-Y49 PolarHBondContact O-N 2.56Å; Y49-G52 PolarHBondContact O-N 2.91Å; Y49-Y54 HydrophobicContact CD1-CD1 4Å; Y49-Y54 AromaticContact CD1-CE1 3.9Å; Y49-Y54 HydrophobicContact CD1-CE1 3.9Å; Y49-Y54 HydrophobicContact CD1-CG 4.33Å; Y49-Y54 HydrophobicContact CE1-CD1 4.41Å; Y49-Y54 HydrophobicContact CE1-CD2 4.29Å; Y49-Y54 HydrophobicContact CE1-CE1 4.46Å; Y49-Y54 HydrophobicContact CE1-CE2 4.35Å; Y49-Y54 HydrophobicContact CE1-CG 4.28Å; Y49-Y54 HydrophobicContact CG-CD1 4.12Å; Y49-Y54 HydrophobicContact CG-CE1 4.31Å
50	V	75.5	Confident	73.3	Confident	55 Å²	55	77.6 Å²	77.6	33%	0.333	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-43.1	176.3	176.1	0	0	0	0	110.9	L25 R28 I46 Y47 G52	L25-V50 HydrophobicContact CD1-CB 4.42Å; L25-V50 HydrophobicContact CD1-CG1 3.94Å; L25-V50 HydrophobicContact CD1-CG2 3.86Å; R28-V50 PolarHBondContact NH1-O 3.25Å; I46-V50 WeakPolarHBondContact O-CG2 3.17Å; I46-V50 PolarHBondContact O-N 2.91Å; Y47-V50 PolarHBondContact O-N 2.94Å; V50-G52 VanDerWaalsContact C-N 3.29Å; V50-G52 PolarHBondContact O-N 3.36Å
51	R	79.4	Confident	75.4	Confident	182 Å²	182	79.6 Å²	79.6	69%	0.687	37%	0.37	S	S	*	.	H	α-helix	trans	-75.8	-10.7	177	-72.1	-170.6	175.4	-179.6	0.3	114.5	Y47 N53	Y47-R51 WeakPolarHBondContact O-CB 3.11Å; Y47-R51 PolarHBondContact O-N 3.4Å; R51-N53 VanDerWaalsContact C-N 3.28Å
52	G	78.5	Confident	77.8	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.01	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	18.6	-174.1	0	0	0	0	0	113.8	D48 Y49 V50 Y54 K85 N86	D48-G52 CarbonylContact O-C 3.54Å; D48-G52 PolarHBondContact O-N 2.85Å; Y49-G52 PolarHBondContact O-N 2.91Å; V50-G52 VanDerWaalsContact C-N 3.29Å; V50-G52 PolarHBondContact O-N 3.36Å; G52-Y54 PolarHBondContact O-N 2.95Å; G52-K85 PolarHBondContact O-N 2.96Å; G52-N86 PolarHBondContact O-N 3.11Å
53	N	82	Confident	79.9	Confident	57 Å²	57	69.4 Å²	69.4	31%	0.305	33%	0.326	S	S	.	.			trans	-80.3	41	176.8	-69.4	-10.7	0	0	0	111.9	D48 R51 Y84 N86	D48-N53 HydrophobicContact CB-CB 4.16Å; D48-N53 PolarHBondContact O-N 2.9Å; R51-N53 VanDerWaalsContact C-N 3.28Å; N53-Y84 VanDerWaalsContact C-CD1 3.42Å; N53-N86 PolarHBondContact OD1-ND2 2.72Å
54	Y	80.6	Confident	82	Confident	9 Å²	9	63.9 Å²	63.9	4%	0.035	29%	0.292	C	S	.	.	S	Bend	trans	-128.2	150.1	173.1	66.7	-86.2	0	0	0	109.9	Y49 G52 D56 Y84 K85	Y49-Y54 HydrophobicContact CD1-CD1 4Å; Y49-Y54 AromaticContact CD1-CE1 3.9Å; Y49-Y54 HydrophobicContact CD1-CE1 3.9Å; Y49-Y54 HydrophobicContact CD1-CG 4.33Å; Y49-Y54 HydrophobicContact CE1-CD1 4.41Å; Y49-Y54 HydrophobicContact CE1-CD2 4.29Å; Y49-Y54 HydrophobicContact CE1-CE1 4.46Å; Y49-Y54 HydrophobicContact CE1-CE2 4.35Å; Y49-Y54 HydrophobicContact CE1-CG 4.28Å; Y49-Y54 HydrophobicContact CG-CD1 4.12Å; Y49-Y54 HydrophobicContact CG-CE1 4.31Å; G52-Y54 PolarHBondContact O-N 2.95Å; Y54-D56 HydrophobicContact CE2-CB 4.3Å; Y54-D56 PolarHBondContact O-N 2.84Å; Y54-Y84 WeakPolarHBondContact O-CA 3.35Å; Y54-K85 HydrophobicContact CE1-CB 4.18Å; Y54-K85 HydrophobicContact CE1-CD 3.76Å; Y54-K85 HydrophobicContact CE2-CB 4.4Å; Y54-K85 HydrophobicContact CE2-CD 4.05Å; Y54-K85 PolarHBondContact O-N 2.86Å; Y54-K85 WeakPolarHBondContact OH-CD 3.49Å; Y54-K85 PolarHBondContact OH-NZ 3.02Å
55	L	81.7	Confident	83.4	Confident	17 Å²	17	62.1 Å²	62.1	9%	0.089	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-70.8	120.6	177.1	-175.6	66.6	0	0	0	109.3	L82 F90 V96 L144	L55-L82 HydrophobicContact CD1-CB 4.02Å; L55-L82 HydrophobicContact CD1-CD2 4.42Å; L55-F90 HydrophobicContact CB-CD2 3.83Å; L55-F90 HydrophobicContact CB-CE2 3.81Å; L55-F90 HydrophobicContact CB-CG 4.41Å; L55-F90 HydrophobicContact CB-CZ 4.35Å; L55-F90 HydrophobicContact CD1-CB 3.82Å; L55-F90 HydrophobicContact CD1-CD1 4.02Å; L55-F90 HydrophobicContact CD1-CD2 3.91Å; L55-F90 HydrophobicContact CD1-CG 3.64Å; L55-F90 HydrophobicContact CD2-CD1 4.37Å; L55-F90 HydrophobicContact CD2-CE1 4.25Å; L55-F90 HydrophobicContact CD2-CZ 4.35Å; L55-F90 HydrophobicContact CG-CD2 4.33Å; L55-F90 HydrophobicContact CG-CG 4.43Å; L55-V96 HydrophobicContact CD2-CB 3.81Å; L55-V96 HydrophobicContact CD2-CG1 3.65Å; L55-L144 HydrophobicContact CD1-CD2 4.21Å; L55-L144 HydrophobicContact CD2-CD1 3.81Å; L55-L144 HydrophobicContact CD2-CD2 3.35Å; L55-L144 HydrophobicContact CD2-CG 4Å; L55-L144 HydrophobicContact CG-CD2 3.39Å
56	D	82.4	Confident	84.4	Confident	27 Å²	27	60 Å²	60	14%	0.144	27%	0.274	C	S	.	.			trans	-109.9	120.4	178.4	-175.9	-8.8	0	0	0	109.4	Y54 R58 S59 C60 K85	Y54-D56 HydrophobicContact CE2-CB 4.3Å; Y54-D56 PolarHBondContact O-N 2.84Å; D56-R58 PolarHBondContact O-N 3Å; D56-R58 VanDerWaalsContact O-N 3.12Å; D56-R58 PolarHBondContact OD1-N 2.82Å; D56-S59 PolarHBondContact O-N 2.79Å; D56-C60 PolarHBondContact O-N 2.74Å; D56-C60 PolarHBondContact O-SG 3.18Å; D56-C60 VanDerWaalsContact O-SG 3.42Å; D56-K85 HydrophobicContact CB-CB 4.03Å
57	P	87.2	Confident	85.2	Confident	17 Å²	17	65 Å²	65	11%	0.11	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-33.6	175	-23.5	29.5	0	0	0	113.6	C60 L144 L147 V149 A150	P57-C60 WeakPolarHBondContact O-CB 3.39Å; P57-C60 PolarHBondContact O-N 2.78Å; P57-L144 HydrophobicContact CB-CB 4.11Å; P57-L144 HydrophobicContact CB-CD2 4.28Å; P57-L144 HydrophobicContact CG-CB 4.06Å; P57-L144 HydrophobicContact CG-CD2 3.92Å; P57-L144 HydrophobicContact CG-CG 4.48Å; P57-L147 HydrophobicContact CB-CB 4.38Å; P57-L147 HydrophobicContact CG-CB 4.03Å; P57-L147 HydrophobicContact CG-CD1 4.32Å; P57-V149 VanDerWaalsContact O-CA 3.25Å; P57-V149 WeakPolarHBondContact O-CA 3.39Å; P57-V149 WeakPolarHBondContact O-CB 3.32Å; P57-A150 PolarHBondContact O-N 2.86Å
58	R	87.4	Confident	85.8	Confident	208 Å²	208	60.6 Å²	60.6	79%	0.785	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-22.3	-179.3	-63.7	-179.2	179.2	173.5	0.7	113.5	D56 C60	D56-R58 PolarHBondContact O-N 3Å; D56-R58 VanDerWaalsContact O-N 3.12Å; D56-R58 PolarHBondContact OD1-N 2.82Å; R58-C60 VanDerWaalsContact C-N 3.35Å
59	S	90.1	Very high	86.1	Confident	31 Å²	31	62.5 Å²	62.5	22%	0.217	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-16.1	176	-62	0	0	0	0	112.3	D56 F83	D56-S59 PolarHBondContact O-N 2.79Å; S59-F83 WeakPolarHBondContact O-CD2 3.27Å
60	C	91.8	Very high	86.9	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.014	31%	0.307	C	S	.	.			trans	-66.8	143.8	175.7	-61.6	0	0	0	0	111	D56 P57 R58 H81 V149	D56-C60 PolarHBondContact O-N 2.74Å; D56-C60 PolarHBondContact O-SG 3.18Å; D56-C60 VanDerWaalsContact O-SG 3.42Å; P57-C60 WeakPolarHBondContact O-CB 3.39Å; P57-C60 PolarHBondContact O-N 2.78Å; R58-C60 VanDerWaalsContact C-N 3.35Å; C60-H81 CarbonylContact C-O 3.55Å; C60-H81 VanDerWaalsContact CA-O 3.24Å; C60-H81 WeakPolarHBondContact CA-O 3.16Å; C60-V149 HydrophobicContact CB-CB 4.2Å; C60-V149 HydrophobicContact CB-CG1 4.02Å
61	K	92.8	Very high	87.6	Confident	134 Å²	134	66.8 Å²	66.8	58%	0.583	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.4	177.6	-60.4	179.2	-178.7	174.9	0	110.1	H81 F83	K61-H81 HydrophobicContact CB-CB 4.23Å; K61-H81 PolarHBondContact N-O 2.77Å; K61-H81 PolarHBondContact O-CD2 2.85Å; K61-H81 PolarHBondContact O-N 2.84Å; K61-F83 HydrophobicContact CB-CE2 4.44Å; K61-F83 HydrophobicContact CD-CE2 4.03Å; K61-F83 HydrophobicContact CG-CD2 4.45Å; K61-F83 HydrophobicContact CG-CE2 4.18Å
62	V	95.4	Very high	88.1	Confident	26 Å²	26	58.4 Å²	58.4	16%	0.158	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.2	175.1	178.6	0	0	0	0	109.1	W64 F78 R79 V80 V149 Y154	V62-W64 HydrophobicContact CG1-CH2 4.42Å; V62-W64 HydrophobicContact CG1-CZ2 4.01Å; V62-F78 HydrophobicContact CG1-CD2 3.7Å; V62-F78 HydrophobicContact CG1-CE2 4.29Å; V62-F78 HydrophobicContact CG1-CG 4.41Å; V62-R79 CarbonylContact C-O 3.57Å; V62-R79 WeakPolarHBondContact CA-O 3.29Å; V62-V80 HydrophobicContact CG2-CG2 4.38Å; V62-V149 HydrophobicContact CG2-CG2 4.19Å; V62-Y154 HydrophobicContact CB-CE2 4.17Å; V62-Y154 WeakPolarHBondContact CB-OH 3.47Å; V62-Y154 HydrophobicContact CG1-CE2 4.32Å; V62-Y154 HydrophobicContact CG2-CE2 3.88Å; V62-Y154 WeakPolarHBondContact CG2-OH 3.35Å
63	S	94.9	Very high	88.3	Confident	40 Å²	40	59 Å²	59	28%	0.28	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.5	174.1	66	0	0	0	0	110.6	F78 R79 H81	S63-F78 CarbonylContact O-C 3.57Å; S63-F78 WeakPolarHBondContact O-CA 3.44Å; S63-F78 WeakPolarHBondContact O-CB 3.16Å; S63-R79 PolarHBondContact N-O 3.03Å; S63-R79 PolarHBondContact O-N 3.45Å; S63-R79 WeakPolarHBondContact OG-CB 3.46Å; S63-H81 PolarHBondContact OG-NE2 3.5Å
64	W	95.6	Very high	88.4	Confident	58 Å²	58	60.5 Å²	60.5	22%	0.22	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.8	-175.3	-53.1	95.2	0	0	0	110.4	V62 W66 F78 I140 Y154 K156	V62-W64 HydrophobicContact CG1-CH2 4.42Å; V62-W64 HydrophobicContact CG1-CZ2 4.01Å; W64-W66 HydrophobicContact CB-CD2 4.28Å; W64-W66 HydrophobicContact CB-CE3 4.27Å; W64-W66 HydrophobicContact CD2-CH2 4.25Å; W64-W66 HydrophobicContact CD2-CZ2 4.3Å; W64-W66 HydrophobicContact CE3-CE3 4.31Å; W64-W66 AromaticContact CE3-CH2 3.11Å; W64-W66 HydrophobicContact CE3-CH2 3.11Å; W64-W66 AromaticContact CE3-CZ2 3.47Å; W64-W66 HydrophobicContact CE3-CZ2 3.47Å; W64-W66 VanDerWaalsContact CE3-CZ2 3.47Å; W64-W66 AromaticContact CE3-CZ3 3.56Å; W64-W66 HydrophobicContact CE3-CZ3 3.56Å; W64-W66 AromaticContact CZ3-CH2 3.41Å; W64-W66 HydrophobicContact CZ3-CH2 3.41Å; W64-W66 VanDerWaalsContact CZ3-CH2 3.41Å; W64-W66 AromaticContact CZ3-CZ2 3.88Å; W64-W66 HydrophobicContact CZ3-CZ2 3.88Å; W64-W66 HydrophobicContact CZ3-CZ3 4.17Å; W64-W66 PolarHBondContact O-N 2.83Å; W64-F78 HydrophobicContact CD2-CB 4.16Å; W64-F78 HydrophobicContact CE3-CB 3.44Å; W64-F78 VanDerWaalsContact CE3-CB 3.44Å; W64-F78 HydrophobicContact CE3-CD1 4.17Å; W64-F78 AromaticContact CE3-CG 3.96Å; W64-F78 HydrophobicContact CE3-CG 3.96Å; W64-F78 HydrophobicContact CH2-CG 4.47Å; W64-F78 HydrophobicContact CZ3-CB 3.78Å; W64-F78 AromaticContact CZ3-CD1 3.65Å; W64-F78 HydrophobicContact CZ3-CD1 3.65Å; W64-F78 HydrophobicContact CZ3-CD2 4.47Å; W64-F78 HydrophobicContact CZ3-CE1 4.29Å; W64-F78 AromaticContact CZ3-CG 3.73Å; W64-F78 HydrophobicContact CZ3-CG 3.73Å; W64-I140 HydrophobicContact CH2-CB 4.29Å; W64-I140 HydrophobicContact CH2-CD1 3.61Å; W64-I140 HydrophobicContact CH2-CG2 4.1Å; W64-I140 HydrophobicContact CZ3-CD1 3.55Å; W64-Y154 HydrophobicContact CH2-CD2 4.27Å; W64-Y154 HydrophobicContact CH2-CG 4.12Å; W64-Y154 AromaticContact CZ2-CD1 3.86Å; W64-Y154 HydrophobicContact CZ2-CD1 3.86Å; W64-Y154 HydrophobicContact CZ2-CD2 4.02Å; W64-Y154 HydrophobicContact CZ2-CE1 4.49Å; W64-Y154 AromaticContact CZ2-CG 3.59Å; W64-Y154 HydrophobicContact CZ2-CG 3.59Å; W64-K156 HydrophobicContact CH2-CG 4.3Å; W64-K156 HydrophobicContact CZ3-CG 4.34Å
65	D	93.4	Very high	88.6	Confident	59 Å²	59	64.1 Å²	64.1	32%	0.316	32%	0.316	S	S	.	.	S	Bend	trans	-84.9	10.6	179.2	-61.5	0.1	0	0	0	112.1	A77 R79	D65-A77 HydrophobicContact CB-CB 4.38Å; D65-A77 WeakPolarHBondContact CB-O 3.39Å; D65-A77 PolarHBondContact N-O 3.38Å; D65-R79 IonicContact OD1-CZ 2.86Å; D65-R79 IonicContact OD1-NE 2.75Å; D65-R79 IonicContact OD1-NH1 3.29Å; D65-R79 PolarHBondContact OD1-NH1 3.24Å; D65-R79 IonicContact OD1-NH2 3.37Å; D65-R79 IonicContact OD2-CZ 3.53Å; D65-R79 IonicContact OD2-NE 3.91Å; D65-R79 IonicContact OD2-NH1 3.46Å; D65-R79 PolarHBondContact OD2-NH1 3.06Å; D65-R79 IonicContact OD2-NH2 3.78Å; D65-R79 PolarHBondContact OD2-NH2 2.87Å
66	W	92.5	Very high	89.1	Confident	24 Å²	24	63.6 Å²	63.6	9%	0.091	31%	0.314	C	S	.	.	S	Bend	trans	-138.7	171.2	179.3	73.8	93.8	0	0	0	111.6	W64 D68 Y70 M76 A77 F78 F130 K156 F158	W64-W66 HydrophobicContact CB-CD2 4.28Å; W64-W66 HydrophobicContact CB-CE3 4.27Å; W64-W66 HydrophobicContact CD2-CH2 4.25Å; W64-W66 HydrophobicContact CD2-CZ2 4.3Å; W64-W66 HydrophobicContact CE3-CE3 4.31Å; W64-W66 AromaticContact CE3-CH2 3.11Å; W64-W66 HydrophobicContact CE3-CH2 3.11Å; W64-W66 AromaticContact CE3-CZ2 3.47Å; W64-W66 HydrophobicContact CE3-CZ2 3.47Å; W64-W66 VanDerWaalsContact CE3-CZ2 3.47Å; W64-W66 AromaticContact CE3-CZ3 3.56Å; W64-W66 HydrophobicContact CE3-CZ3 3.56Å; W64-W66 AromaticContact CZ3-CH2 3.41Å; W64-W66 HydrophobicContact CZ3-CH2 3.41Å; W64-W66 VanDerWaalsContact CZ3-CH2 3.41Å; W64-W66 AromaticContact CZ3-CZ2 3.88Å; W64-W66 HydrophobicContact CZ3-CZ2 3.88Å; W64-W66 HydrophobicContact CZ3-CZ3 4.17Å; W64-W66 PolarHBondContact O-N 2.83Å; W66-D68 PolarHBondContact NE1-OD1 2.87Å; W66-Y70 HydrophobicContact CB-CD2 4.17Å; W66-Y70 HydrophobicContact CB-CE2 4.43Å; W66-M76 HydrophobicContact CB-CE 3.39Å; W66-M76 HydrophobicContact CD2-CE 3.21Å; W66-M76 HydrophobicContact CE3-CB 4.08Å; W66-M76 HydrophobicContact CE3-CE 3.54Å; W66-M76 HydrophobicContact CG-CE 3.14Å; W66-M76 HydrophobicContact CH2-CB 4.06Å; W66-M76 HydrophobicContact CZ2-CE 4.48Å; W66-M76 HydrophobicContact CZ3-CB 3.73Å; W66-M76 HydrophobicContact CZ3-CE 4.26Å; W66-A77 WeakPolarHBondContact CZ3-O 3.4Å; W66-F78 HydrophobicContact CZ3-CB 4.26Å; W66-F130 AromaticContact CH2-CE1 3.78Å; W66-F130 HydrophobicContact CH2-CE1 3.78Å; W66-F130 AromaticContact CH2-CZ 3.75Å; W66-F130 HydrophobicContact CH2-CZ 3.75Å; W66-F130 HydrophobicContact CZ2-CZ 4.46Å; W66-F130 HydrophobicContact CZ3-CE1 4.19Å; W66-F130 HydrophobicContact CZ3-CZ 4.49Å; W66-K156 HydrophobicContact CZ2-CB 4.49Å; W66-K156 HydrophobicContact CZ2-CD 4.07Å; W66-K156 HydrophobicContact CZ2-CG 3.95Å; W66-F158 AromaticContact CZ2-CZ 3.91Å; W66-F158 HydrophobicContact CZ2-CZ 3.91Å
67	K	88.5	Confident	89.5	Confident	183 Å²	183	63 Å²	63	80%	0.796	31%	0.312	S	S	*	.			trans	-113.3	139.2	172.8	-64.9	-178.2	179.8	178.5	0	109.6
68	D	85.2	Confident	89.9	Confident	80 Å²	80	62.1 Å²	62.1	43%	0.428	31%	0.307	S	S	.	.	S	Bend	trans	-85.7	150	177.4	-61	-44.9	0	0	0	111.2	W66 K156	W66-D68 PolarHBondContact NE1-OD1 2.87Å; D68-K156 IonicContact OD1-NZ 3.67Å; D68-K156 WeakPolarHBondContact OD2-CD 3.39Å; D68-K156 IonicContact OD2-NZ 2.92Å; D68-K156 PolarHBondContact OD2-NZ 2.91Å
69	P	80.1	Confident	90.3	Very high	82 Å²	82	56.3 Å²	56.3	53%	0.532	29%	0.285	S	S	.	.	S	Bend	cis	-73.7	158.5	-11.9	32.7	-34.6	0	0	0	111.9	Q159	P69-Q159 HydrophobicContact CB-CG 4.21Å
70	Y	89.8	Confident	90.5	Very high	83 Å²	83	54.8 Å²	54.8	33%	0.325	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.9	-179.8	-155.2	-92.7	0	0	0	110.8	W66 H74 M76 F158 Q159	W66-Y70 HydrophobicContact CB-CD2 4.17Å; W66-Y70 HydrophobicContact CB-CE2 4.43Å; Y70-H74 HydrophobicContact CE1-CB 3.91Å; Y70-H74 AromaticContact CE1-CG 3.78Å; Y70-H74 AromaticContact CE1-ND1 3.65Å; Y70-M76 HydrophobicContact CD1-CE 3.6Å; Y70-M76 HydrophobicContact CD1-SD 3.59Å; Y70-M76 VanDerWaalsContact CD1-SD 3.59Å; Y70-M76 HydrophobicContact CD2-CE 4.34Å; Y70-M76 HydrophobicContact CE1-CE 3.97Å; Y70-M76 HydrophobicContact CE1-SD 3.7Å; Y70-M76 HydrophobicContact CG-CE 3.82Å; Y70-M76 HydrophobicContact CG-SD 4.4Å; Y70-F158 CarbonylContact O-C 3.6Å; Y70-F158 VanDerWaalsContact O-CA 3.26Å; Y70-F158 WeakPolarHBondContact O-CA 3.47Å; Y70-Q159 PolarHBondContact O-N 3.03Å
71	E	90.2	Very high	90.6	Very high	83 Å²	83	56.8 Å²	56.8	39%	0.388	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	148	179.2	-68.5	-179.4	-176.5	0	0	112	Q159	E71-Q159 CarbonylContact C-O 3.55Å; E71-Q159 WeakPolarHBondContact CA-O 3.45Å
72	V	89.5	Confident	90.6	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.03	26%	0.255	C	S	.	.	S	Bend	trans	-58.5	166.1	170.3	-62.7	0	0	0	0	111.3	H74 V132 K134 A135 F158 Q159 D193 Y195	V72-H74 PolarHBondContact O-ND1 2.93Å; V72-V132 HydrophobicContact CB-CG1 4.48Å; V72-V132 HydrophobicContact CG1-CG1 4.02Å; V72-K134 WeakPolarHBondContact CG1-O 3.44Å; V72-A135 HydrophobicContact CG1-CB 3.95Å; V72-F158 HydrophobicContact CG1-CB 4.07Å; V72-Q159 WeakPolarHBondContact CG1-O 3.35Å; V72-Q159 PolarHBondContact N-O 2.92Å; V72-D193 VanDerWaalsContact CG2-OD2 3.25Å; V72-D193 WeakPolarHBondContact CG2-OD2 3.31Å; V72-Y195 HydrophobicContact CB-CD2 4.39Å; V72-Y195 HydrophobicContact CG2-CD2 3.8Å; V72-Y195 HydrophobicContact CG2-CE2 4.33Å
73	G	82.9	Confident	90.4	Very high	13 Å²	13	50.9 Å²	50.9	13%	0.134	26%	0.256	C	S	.	.	S	Bend	trans	103.4	0.3	172.8	0	0	0	0	0	115.5	V132 R133 Y195	G73-V132 PolarHBondContact N-O 2.82Å; G73-R133 VanDerWaalsContact CA-NH1 3.25Å; G73-R133 PolarHBondContact O-NH1 2.88Å; G73-Y195 VanDerWaalsContact CA-OH 3.26Å; G73-Y195 WeakPolarHBondContact CA-OH 3.33Å; G73-Y195 PolarHBondContact O-OH 3.31Å
74	H	84.1	Confident	90.1	Very high	89 Å²	89	50.6 Å²	50.6	41%	0.412	25%	0.249	S	C	.	.	S	Bend	trans	-119.3	154.3	-176.1	-59.3	87.8	0	0	0	111.4	Y70 V72 M76 V132	Y70-H74 HydrophobicContact CE1-CB 3.91Å; Y70-H74 AromaticContact CE1-CG 3.78Å; Y70-H74 AromaticContact CE1-ND1 3.65Å; V72-H74 PolarHBondContact O-ND1 2.93Å; H74-M76 HydrophobicContact CB-SD 4.02Å; H74-V132 PolarHBondContact O-N 2.65Å; H74-V132 VanDerWaalsContact O-N 3.09Å
75	S	85.1	Confident	89.5	Confident	85 Å²	85	51.2 Å²	51.2	59%	0.594	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.2	164.4	-63.6	0	0	0	0	108.8	F130 T131	S75-F130 CarbonylContact C-O 3.6Å; S75-F130 WeakPolarHBondContact CA-O 3.24Å; S75-T131 PolarHBondContact OG-OG1 3.3Å
76	M	91.9	Very high	89.1	Confident	7 Å²	7	51.8 Å²	51.8	3%	0.034	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	146.3	-179.7	-53.9	-52.4	-61.8	0	0	109.5	W66 Y70 H74 A129 F130 V132 F158	W66-M76 HydrophobicContact CB-CE 3.39Å; W66-M76 HydrophobicContact CD2-CE 3.21Å; W66-M76 HydrophobicContact CE3-CB 4.08Å; W66-M76 HydrophobicContact CE3-CE 3.54Å; W66-M76 HydrophobicContact CG-CE 3.14Å; W66-M76 HydrophobicContact CH2-CB 4.06Å; W66-M76 HydrophobicContact CZ2-CE 4.48Å; W66-M76 HydrophobicContact CZ3-CB 3.73Å; W66-M76 HydrophobicContact CZ3-CE 4.26Å; Y70-M76 HydrophobicContact CD1-CE 3.6Å; Y70-M76 HydrophobicContact CD1-SD 3.59Å; Y70-M76 VanDerWaalsContact CD1-SD 3.59Å; Y70-M76 HydrophobicContact CD2-CE 4.34Å; Y70-M76 HydrophobicContact CE1-CE 3.97Å; Y70-M76 HydrophobicContact CE1-SD 3.7Å; Y70-M76 HydrophobicContact CG-CE 3.82Å; Y70-M76 HydrophobicContact CG-SD 4.4Å; H74-M76 HydrophobicContact CB-SD 4.02Å; M76-A129 CarbonylContact O-C 3.47Å; M76-A129 WeakPolarHBondContact O-CA 3.43Å; M76-F130 HydrophobicContact CB-CD1 4.27Å; M76-F130 HydrophobicContact CB-CE1 3.79Å; M76-F130 HydrophobicContact CB-CE2 4.21Å; M76-F130 HydrophobicContact CB-CZ 3.76Å; M76-F130 HydrophobicContact CG-CZ 4.38Å; M76-F130 PolarHBondContact N-O 3.38Å; M76-F130 PolarHBondContact O-N 2.99Å; M76-V132 HydrophobicContact CB-CG2 4.41Å; M76-V132 HydrophobicContact CG-CB 4.33Å; M76-V132 HydrophobicContact CG-CG2 3.58Å; M76-F158 HydrophobicContact CE-CE1 3.96Å; M76-F158 HydrophobicContact CG-CE1 3.67Å; M76-F158 HydrophobicContact CG-CZ 3.9Å; M76-F158 HydrophobicContact SD-CE1 4.04Å
77	A	92.3	Very high	88.8	Confident	13 Å²	13	52.9 Å²	52.9	11%	0.107	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.1	177.6	0	0	0	0	0	112.1	D65 W66 K127 V128 A129	D65-A77 HydrophobicContact CB-CB 4.38Å; D65-A77 WeakPolarHBondContact CB-O 3.39Å; D65-A77 PolarHBondContact N-O 3.38Å; W66-A77 WeakPolarHBondContact CZ3-O 3.4Å; A77-K127 HydrophobicContact CB-CG 4.4Å; A77-V128 CarbonylContact C-O 3.57Å; A77-V128 VanDerWaalsContact CA-O 3.22Å; A77-V128 WeakPolarHBondContact CA-O 3.38Å; A77-A129 HydrophobicContact CB-CB 4.13Å
78	F	95.5	Very high	88.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	163.9	170.3	67.1	-91.5	0	0	0	109.9	V62 S63 W64 W66 V80 V100 I102 V128 F130 I140 V142	V62-F78 HydrophobicContact CG1-CD2 3.7Å; V62-F78 HydrophobicContact CG1-CE2 4.29Å; V62-F78 HydrophobicContact CG1-CG 4.41Å; S63-F78 CarbonylContact O-C 3.57Å; S63-F78 WeakPolarHBondContact O-CA 3.44Å; S63-F78 WeakPolarHBondContact O-CB 3.16Å; W64-F78 HydrophobicContact CD2-CB 4.16Å; W64-F78 HydrophobicContact CE3-CB 3.44Å; W64-F78 VanDerWaalsContact CE3-CB 3.44Å; W64-F78 HydrophobicContact CE3-CD1 4.17Å; W64-F78 AromaticContact CE3-CG 3.96Å; W64-F78 HydrophobicContact CE3-CG 3.96Å; W64-F78 HydrophobicContact CH2-CG 4.47Å; W64-F78 HydrophobicContact CZ3-CB 3.78Å; W64-F78 AromaticContact CZ3-CD1 3.65Å; W64-F78 HydrophobicContact CZ3-CD1 3.65Å; W64-F78 HydrophobicContact CZ3-CD2 4.47Å; W64-F78 HydrophobicContact CZ3-CE1 4.29Å; W64-F78 AromaticContact CZ3-CG 3.73Å; W64-F78 HydrophobicContact CZ3-CG 3.73Å; W66-F78 HydrophobicContact CZ3-CB 4.26Å; F78-V80 HydrophobicContact CD2-CG2 4.11Å; F78-V80 HydrophobicContact CE2-CG2 3.75Å; F78-V100 HydrophobicContact CZ-CG1 3.85Å; F78-V100 HydrophobicContact CZ-CG2 4.47Å; F78-I102 HydrophobicContact CE1-CD1 4.19Å; F78-V128 HydrophobicContact CD1-CB 4.16Å; F78-V128 HydrophobicContact CD1-CG1 4.46Å; F78-V128 HydrophobicContact CD2-CB 4.16Å; F78-V128 HydrophobicContact CD2-CG2 4.4Å; F78-V128 HydrophobicContact CE1-CB 3.78Å; F78-V128 HydrophobicContact CE1-CG1 3.68Å; F78-V128 HydrophobicContact CE2-CB 3.78Å; F78-V128 HydrophobicContact CE2-CG1 4.27Å; F78-V128 HydrophobicContact CE2-CG2 3.84Å; F78-V128 HydrophobicContact CG-CB 4.37Å; F78-V128 HydrophobicContact CZ-CB 3.59Å; F78-V128 HydrophobicContact CZ-CG1 3.59Å; F78-V128 HydrophobicContact CZ-CG2 4.01Å; F78-V128 PolarHBondContact N-O 3.17Å; F78-V128 PolarHBondContact O-N 3.2Å; F78-F130 HydrophobicContact CD1-CD1 4.41Å; F78-F130 AromaticContact CD1-CE1 3.97Å; F78-F130 HydrophobicContact CD1-CE1 3.97Å; F78-F130 HydrophobicContact CE1-CD1 4.29Å; F78-F130 HydrophobicContact CE1-CE1 4.1Å; F78-I140 HydrophobicContact CE1-CG2 3.95Å; F78-I140 HydrophobicContact CZ-CG2 3.81Å; F78-V142 HydrophobicContact CE2-CG2 3.92Å; F78-V142 HydrophobicContact CZ-CG2 4.12Å
79	R	94.8	Very high	89	Confident	85 Å²	85	49 Å²	49	32%	0.321	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.8	-173.6	-66.6	178.3	-174.5	113	2.3	109.6	V62 S63 D65 H81 V125 V126	V62-R79 CarbonylContact C-O 3.57Å; V62-R79 WeakPolarHBondContact CA-O 3.29Å; S63-R79 PolarHBondContact N-O 3.03Å; S63-R79 PolarHBondContact O-N 3.45Å; S63-R79 WeakPolarHBondContact OG-CB 3.46Å; D65-R79 IonicContact OD1-CZ 2.86Å; D65-R79 IonicContact OD1-NE 2.75Å; D65-R79 IonicContact OD1-NH1 3.29Å; D65-R79 PolarHBondContact OD1-NH1 3.24Å; D65-R79 IonicContact OD1-NH2 3.37Å; D65-R79 IonicContact OD2-CZ 3.53Å; D65-R79 IonicContact OD2-NE 3.91Å; D65-R79 IonicContact OD2-NH1 3.46Å; D65-R79 PolarHBondContact OD2-NH1 3.06Å; D65-R79 IonicContact OD2-NH2 3.78Å; D65-R79 PolarHBondContact OD2-NH2 2.87Å; R79-H81 PolarHBondContact O-CD2 3.24Å; R79-V125 HydrophobicContact CB-CG1 3.64Å; R79-V125 HydrophobicContact CG-CG1 3.94Å; R79-V126 WeakPolarHBondContact CA-O 3.5Å
80	V	94.7	Very high	89.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	110.9	171.8	-173.7	0	0	0	0	107.6	V62 F78 L82 L98 V125 V126 V128 V142	V62-V80 HydrophobicContact CG2-CG2 4.38Å; F78-V80 HydrophobicContact CD2-CG2 4.11Å; F78-V80 HydrophobicContact CE2-CG2 3.75Å; V80-L82 HydrophobicContact CG1-CD2 3.97Å; V80-L98 HydrophobicContact CG1-CD1 4.25Å; V80-V125 WeakPolarHBondContact O-CA 3.48Å; V80-V126 HydrophobicContact CB-CB 4.46Å; V80-V126 PolarHBondContact N-O 2.85Å; V80-V126 PolarHBondContact O-N 2.73Å; V80-V128 HydrophobicContact CG2-CG2 4.1Å; V80-V142 HydrophobicContact CG1-CG1 4.42Å; V80-V142 HydrophobicContact CG2-CG1 4.1Å
81	H	94.1	Very high	89.3	Confident	43 Å²	43	42.3 Å²	42.3	20%	0.199	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.7	177.4	-57.4	-102.4	0	0	0	108.7	C60 K61 S63 R79 F83 V125	C60-H81 CarbonylContact C-O 3.55Å; C60-H81 VanDerWaalsContact CA-O 3.24Å; C60-H81 WeakPolarHBondContact CA-O 3.16Å; K61-H81 HydrophobicContact CB-CB 4.23Å; K61-H81 PolarHBondContact N-O 2.77Å; K61-H81 PolarHBondContact O-CD2 2.85Å; K61-H81 PolarHBondContact O-N 2.84Å; S63-H81 PolarHBondContact OG-NE2 3.5Å; R79-H81 PolarHBondContact O-CD2 3.24Å; H81-F83 HydrophobicContact CB-CD2 4.24Å; H81-F83 HydrophobicContact CB-CE2 3.5Å; H81-F83 VanDerWaalsContact CB-CE2 3.5Å; H81-F83 HydrophobicContact CB-CZ 4.18Å; H81-V125 WeakPolarHBondContact ND1-CG2 3.36Å
82	L	92.1	Very high	89.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.			trans	-90.2	129.1	-177.8	-55.6	175.9	0	0	0	109.4	L55 V80 F90 A92 V96 N124 V126 L144	L55-L82 HydrophobicContact CD1-CB 4.02Å; L55-L82 HydrophobicContact CD1-CD2 4.42Å; V80-L82 HydrophobicContact CG1-CD2 3.97Å; L82-F90 HydrophobicContact CB-CB 3.92Å; L82-F90 HydrophobicContact CB-CD1 4.3Å; L82-F90 HydrophobicContact CD1-CD1 4.29Å; L82-F90 PolarHBondContact O-N 2.75Å; L82-A92 HydrophobicContact CD1-CB 3.87Å; L82-V96 HydrophobicContact CD1-CB 4.43Å; L82-V96 HydrophobicContact CD1-CG1 3.8Å; L82-V96 HydrophobicContact CD1-CG2 4.31Å; L82-N124 PolarHBondContact N-O 3.45Å; L82-N124 WeakPolarHBondContact O-CB 3.21Å; L82-N124 PolarHBondContact O-ND2 2.88Å; L82-V126 HydrophobicContact CD1-CG2 4.02Å; L82-L144 HydrophobicContact CD2-CD1 4.43Å
83	F	91	Very high	88.6	Confident	37 Å²	37	44 Å²	44	16%	0.162	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-132	140.9	178.1	-67.3	-81.7	0	0	0	110.1	S59 K61 H81 G87 Q88	S59-F83 WeakPolarHBondContact O-CD2 3.27Å; K61-F83 HydrophobicContact CB-CE2 4.44Å; K61-F83 HydrophobicContact CD-CE2 4.03Å; K61-F83 HydrophobicContact CG-CD2 4.45Å; K61-F83 HydrophobicContact CG-CE2 4.18Å; H81-F83 HydrophobicContact CB-CD2 4.24Å; H81-F83 HydrophobicContact CB-CE2 3.5Å; H81-F83 VanDerWaalsContact CB-CE2 3.5Å; H81-F83 HydrophobicContact CB-CZ 4.18Å; F83-G87 WeakPolarHBondContact CD1-O 3.37Å; F83-Q88 WeakPolarHBondContact CA-O 3.27Å
84	Y	88	Confident	88.4	Confident	33 Å²	33	49.2 Å²	49.2	13%	0.129	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-60	155.8	160.2	-69.8	-74.4	0	0	0	109.9	N53 Y54 N86 G87 Q88 P89 F90	N53-Y84 VanDerWaalsContact C-CD1 3.42Å; Y54-Y84 WeakPolarHBondContact O-CA 3.35Å; Y84-N86 WeakPolarHBondContact CB-OD1 3.45Å; Y84-N86 PolarHBondContact O-N 3.37Å; Y84-N86 VanDerWaalsContact O-N 3.17Å; Y84-G87 WeakPolarHBondContact O-CA 3.41Å; Y84-G87 PolarHBondContact O-N 2.78Å; Y84-Q88 HydrophobicContact CD2-CB 3.95Å; Y84-Q88 WeakPolarHBondContact CD2-O 3.35Å; Y84-Q88 PolarHBondContact N-O 3.46Å; Y84-P89 WeakPolarHBondContact CD2-O 3.35Å; Y84-P89 VanDerWaalsContact CE2-O 3.26Å; Y84-P89 WeakPolarHBondContact CE2-O 3.41Å; Y84-F90 AromaticContact CD1-CD2 3.7Å; Y84-F90 HydrophobicContact CD1-CD2 3.7Å; Y84-F90 HydrophobicContact CD1-CE2 4.37Å; Y84-F90 HydrophobicContact CD2-CB 4.15Å; Y84-F90 HydrophobicContact CD2-CD2 4.32Å; Y84-F90 AromaticContact CE1-CD2 3.27Å; Y84-F90 HydrophobicContact CE1-CD2 3.27Å; Y84-F90 AromaticContact CE1-CE2 3.66Å; Y84-F90 HydrophobicContact CE1-CE2 3.66Å; Y84-F90 HydrophobicContact CE1-CG 4.39Å; Y84-F90 HydrophobicContact CE2-CB 4.11Å; Y84-F90 AromaticContact CE2-CD2 3.93Å; Y84-F90 HydrophobicContact CE2-CD2 3.93Å; Y84-F90 HydrophobicContact CE2-CG 4.36Å; Y84-F90 HydrophobicContact CG-CB 4.48Å; Y84-F90 HydrophobicContact CG-CD2 4.21Å; Y84-F90 AromaticContact CZ-CD2 3.38Å; Y84-F90 AromaticContact CZ-CE2 3.9Å
85	K	83.2	Confident	88	Confident	72 Å²	72	51 Å²	51	31%	0.313	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-31	175.7	-177.3	167.7	177.1	171.1	0	113.2	G52 Y54 D56 G87	G52-K85 PolarHBondContact O-N 2.96Å; Y54-K85 HydrophobicContact CE1-CB 4.18Å; Y54-K85 HydrophobicContact CE1-CD 3.76Å; Y54-K85 HydrophobicContact CE2-CB 4.4Å; Y54-K85 HydrophobicContact CE2-CD 4.05Å; Y54-K85 PolarHBondContact O-N 2.86Å; Y54-K85 WeakPolarHBondContact OH-CD 3.49Å; Y54-K85 PolarHBondContact OH-NZ 3.02Å; D56-K85 HydrophobicContact CB-CB 4.03Å; K85-G87 PolarHBondContact O-N 3.24Å
86	N	86.4	Confident	87.7	Confident	71 Å²	71	48.1 Å²	48.1	38%	0.38	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	1.7	175.1	68.5	9.4	0	0	0	114.2	G52 N53 Y84 Q88	G52-N86 PolarHBondContact O-N 3.11Å; N53-N86 PolarHBondContact OD1-ND2 2.72Å; Y84-N86 WeakPolarHBondContact CB-OD1 3.45Å; Y84-N86 PolarHBondContact O-N 3.37Å; Y84-N86 VanDerWaalsContact O-N 3.17Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.36Å; N86-Q88 WeakPolarHBondContact OD1-CG 3.25Å; N86-Q88 PolarHBondContact OD1-N 3.03Å
87	G	86.2	Confident	87.3	Confident	47 Å²	47	50 Å²	50	49%	0.485	27%	0.271	S	S	.	.	S	Bend	trans	88.3	-4.7	178.1	0	0	0	0	0	115.2	F83 Y84 K85	F83-G87 WeakPolarHBondContact CD1-O 3.37Å; Y84-G87 WeakPolarHBondContact O-CA 3.41Å; Y84-G87 PolarHBondContact O-N 2.78Å; K85-G87 PolarHBondContact O-N 3.24Å
88	Q	88.6	Confident	87.2	Confident	119 Å²	119	50.2 Å²	50.2	56%	0.556	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-71.2	147.8	175.9	-68.1	-65	-32.7	0	0	111.5	F83 Y84 N86 F90	F83-Q88 WeakPolarHBondContact CA-O 3.27Å; Y84-Q88 HydrophobicContact CD2-CB 3.95Å; Y84-Q88 WeakPolarHBondContact CD2-O 3.35Å; Y84-Q88 PolarHBondContact N-O 3.46Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.36Å; N86-Q88 WeakPolarHBondContact OD1-CG 3.25Å; N86-Q88 PolarHBondContact OD1-N 3.03Å; Q88-F90 PolarHBondContact O-N 3.01Å
89	P	89.3	Confident	87	Confident	62 Å²	62	59 Å²	59	40%	0.403	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-58.8	130	175.1	-22.7	33.7	0	0	0	111.6	Y84 N124	Y84-P89 WeakPolarHBondContact CD2-O 3.35Å; Y84-P89 VanDerWaalsContact CE2-O 3.26Å; Y84-P89 WeakPolarHBondContact CE2-O 3.41Å; P89-N124 HydrophobicContact CB-CB 3.67Å
90	F	88	Confident	87	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.018	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-93.4	122.3	174.7	-177.2	-80.3	0	0	0	109.9	L55 L82 Y84 Q88 A92 R94 V96 N124	L55-F90 HydrophobicContact CB-CD2 3.83Å; L55-F90 HydrophobicContact CB-CE2 3.81Å; L55-F90 HydrophobicContact CB-CG 4.41Å; L55-F90 HydrophobicContact CB-CZ 4.35Å; L55-F90 HydrophobicContact CD1-CB 3.82Å; L55-F90 HydrophobicContact CD1-CD1 4.02Å; L55-F90 HydrophobicContact CD1-CD2 3.91Å; L55-F90 HydrophobicContact CD1-CG 3.64Å; L55-F90 HydrophobicContact CD2-CD1 4.37Å; L55-F90 HydrophobicContact CD2-CE1 4.25Å; L55-F90 HydrophobicContact CD2-CZ 4.35Å; L55-F90 HydrophobicContact CG-CD2 4.33Å; L55-F90 HydrophobicContact CG-CG 4.43Å; L82-F90 HydrophobicContact CB-CB 3.92Å; L82-F90 HydrophobicContact CB-CD1 4.3Å; L82-F90 HydrophobicContact CD1-CD1 4.29Å; L82-F90 PolarHBondContact O-N 2.75Å; Y84-F90 AromaticContact CD1-CD2 3.7Å; Y84-F90 HydrophobicContact CD1-CD2 3.7Å; Y84-F90 HydrophobicContact CD1-CE2 4.37Å; Y84-F90 HydrophobicContact CD2-CB 4.15Å; Y84-F90 HydrophobicContact CD2-CD2 4.32Å; Y84-F90 AromaticContact CE1-CD2 3.27Å; Y84-F90 HydrophobicContact CE1-CD2 3.27Å; Y84-F90 AromaticContact CE1-CE2 3.66Å; Y84-F90 HydrophobicContact CE1-CE2 3.66Å; Y84-F90 HydrophobicContact CE1-CG 4.39Å; Y84-F90 HydrophobicContact CE2-CB 4.11Å; Y84-F90 AromaticContact CE2-CD2 3.93Å; Y84-F90 HydrophobicContact CE2-CD2 3.93Å; Y84-F90 HydrophobicContact CE2-CG 4.36Å; Y84-F90 HydrophobicContact CG-CB 4.48Å; Y84-F90 HydrophobicContact CG-CD2 4.21Å; Y84-F90 AromaticContact CZ-CD2 3.38Å; Y84-F90 AromaticContact CZ-CE2 3.9Å; Q88-F90 PolarHBondContact O-N 3.01Å; F90-A92 PolarHBondContact O-N 2.8Å; F90-A92 VanDerWaalsContact O-N 3.17Å; F90-R94 HydrophobicContact CE1-CB 3.83Å; F90-R94 HydrophobicContact CZ-CB 4.02Å; F90-V96 HydrophobicContact CD1-CG1 3.88Å; F90-V96 HydrophobicContact CE1-CG1 3.3Å; F90-V96 HydrophobicContact CZ-CG1 4.14Å; F90-N124 WeakPolarHBondContact O-CA 3.5Å; F90-N124 WeakPolarHBondContact O-CB 3.5Å
91	P	87	Confident	87	Confident	21 Å²	21	59.2 Å²	59.2	14%	0.136	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-61.8	119.3	-177.8	-20.3	30.5	0	0	0	112.3	H93 R94	P91-H93 VanDerWaalsContact C-N 3.27Å; P91-H93 WeakPolarHBondContact CB-CE1 3.34Å; P91-H93 PolarHBondContact O-N 3.48Å; P91-R94 PolarHBondContact O-N 3.38Å
92	A	85.3	Confident	87.1	Confident	5 Å²	5	57.1 Å²	57.1	4%	0.041	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.3	-172.3	0	0	0	0	0	114	L82 F90 R94 V117 S123 V126	L82-A92 HydrophobicContact CD1-CB 3.87Å; F90-A92 PolarHBondContact O-N 2.8Å; F90-A92 VanDerWaalsContact O-N 3.17Å; A92-R94 PolarHBondContact O-N 2.87Å; A92-V117 HydrophobicContact CB-CG1 3.7Å; A92-V117 HydrophobicContact CB-CG2 4.17Å; A92-S123 WeakPolarHBondContact CB-O 3.48Å; A92-S123 PolarHBondContact N-O 2.92Å; A92-V126 HydrophobicContact CB-CG2 3.88Å
93	H	79.7	Confident	87.1	Confident	117 Å²	117	58 Å²	58	54%	0.542	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.9	173.7	63.8	-104.8	0	0	0	113.3	P91 P121	P91-H93 VanDerWaalsContact C-N 3.27Å; P91-H93 WeakPolarHBondContact CB-CE1 3.34Å; P91-H93 PolarHBondContact O-N 3.48Å; H93-P121 PolarHBondContact CE1-O 3.22Å; H93-P121 PolarHBondContact ND1-O 3Å; H93-P121 VanDerWaalsContact ND1-O 3.07Å
94	R	79.3	Confident	87	Confident	123 Å²	123	56.5 Å²	56.5	46%	0.464	30%	0.299	S	S	.	.	S	Bend	trans	-80.8	147.6	177.7	-63.3	-176.9	178.9	-166.7	0.5	110.6	F90 P91 A92 V96	F90-R94 HydrophobicContact CE1-CB 3.83Å; F90-R94 HydrophobicContact CZ-CB 4.02Å; P91-R94 PolarHBondContact O-N 3.38Å; A92-R94 PolarHBondContact O-N 2.87Å; R94-V96 WeakPolarHBondContact O-CG1 3.46Å; R94-V96 PolarHBondContact O-N 3.37Å
95	P	75.4	Confident	87.1	Confident	127 Å²	127	58 Å²	58	83%	0.825	31%	0.311	S	S	*	.			trans	-61.7	113.9	175.2	24.6	-32.7	0	0	0	110.3
96	V	78.2	Confident	87.4	Confident	25 Å²	25	60.1 Å²	60.1	15%	0.152	32%	0.323	C	S	.	.			trans	-109	-11.3	-173.7	-70.5	0	0	0	0	113.6	L55 L82 F90 R94 L98 L144	L55-V96 HydrophobicContact CD2-CB 3.81Å; L55-V96 HydrophobicContact CD2-CG1 3.65Å; L82-V96 HydrophobicContact CD1-CB 4.43Å; L82-V96 HydrophobicContact CD1-CG1 3.8Å; L82-V96 HydrophobicContact CD1-CG2 4.31Å; F90-V96 HydrophobicContact CD1-CG1 3.88Å; F90-V96 HydrophobicContact CE1-CG1 3.3Å; F90-V96 HydrophobicContact CZ-CG1 4.14Å; R94-V96 WeakPolarHBondContact O-CG1 3.46Å; R94-V96 PolarHBondContact O-N 3.37Å; V96-L98 HydrophobicContact CG2-CB 3.7Å; V96-L98 PolarHBondContact O-N 3.31Å; V96-L144 HydrophobicContact CB-CD1 3.99Å; V96-L144 HydrophobicContact CG2-CD1 4.45Å; V96-L144 WeakPolarHBondContact O-CD1 3.38Å
97	G	84.7	Confident	87.1	Confident	45 Å²	45	61.3 Å²	61.3	46%	0.464	33%	0.328	S	S	.	.			trans	61.8	33.3	-174.4	0	0	0	0	0	112.8	R99 G145	G97-R99 PolarHBondContact O-N 2.96Å; G97-G145 PolarHBondContact O-N 3.27Å
98	L	89.9	Confident	87	Confident	18 Å²	18	63.3 Å²	63.3	9%	0.094	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	121.3	176.7	179.8	67.7	0	0	0	109.3	V80 V96 V100 V126 V142 K143 L144	V80-L98 HydrophobicContact CG1-CD1 4.25Å; V96-L98 HydrophobicContact CG2-CB 3.7Å; V96-L98 PolarHBondContact O-N 3.31Å; L98-V100 HydrophobicContact CD1-CG2 4.49Å; L98-V100 HydrophobicContact CG-CG2 4.41Å; L98-V126 HydrophobicContact CD2-CB 3.95Å; L98-V126 HydrophobicContact CD2-CG1 3.79Å; L98-V126 HydrophobicContact CD2-CG2 4.04Å; L98-V142 HydrophobicContact CD1-CG1 3.78Å; L98-K143 CarbonylContact C-O 3.39Å; L98-K143 WeakPolarHBondContact CA-O 3.37Å; L98-L144 HydrophobicContact CB-CD1 4.28Å; L98-L144 HydrophobicContact CD1-CD1 4.38Å
99	R	91.6	Very high	86.5	Confident	186 Å²	186	61.1 Å²	61.1	70%	0.702	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	125.4	173.1	-66.5	-171.9	-177.8	-174.6	2.5	108.5	G97 K143	G97-R99 PolarHBondContact O-N 2.96Å; R99-K143 HydrophobicContact CB-CB 4.46Å; R99-K143 PolarHBondContact N-O 2.7Å; R99-K143 PolarHBondContact O-N 2.9Å
100	V	94.7	Very high	86.2	Confident	17 Å²	17	64.3 Å²	64.3	10%	0.103	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.4	173.8	178.8	0	0	0	0	107.7	F78 L98 I102 V113 V128 T141 V142	F78-V100 HydrophobicContact CZ-CG1 3.85Å; F78-V100 HydrophobicContact CZ-CG2 4.47Å; L98-V100 HydrophobicContact CD1-CG2 4.49Å; L98-V100 HydrophobicContact CG-CG2 4.41Å; V100-I102 HydrophobicContact CG1-CD1 4.44Å; V100-I102 HydrophobicContact CG1-CG1 4.06Å; V100-V113 HydrophobicContact CB-CG2 4.26Å; V100-V113 HydrophobicContact CG1-CG1 4.34Å; V100-V113 HydrophobicContact CG1-CG2 4.43Å; V100-V128 HydrophobicContact CB-CG1 4.41Å; V100-V128 HydrophobicContact CG1-CG1 4.11Å; V100-V128 HydrophobicContact CG2-CG1 4.33Å; V100-V128 HydrophobicContact CG2-CG2 4.13Å; V100-T141 WeakPolarHBondContact CA-O 3.29Å; V100-V142 HydrophobicContact CG2-CG1 4.31Å; V100-V142 HydrophobicContact CG2-CG2 4.28Å
101	H	94.5	Very high	86	Confident	71 Å²	71	65.1 Å²	65.1	33%	0.329	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.2	173.9	179.2	80.8	0	0	0	108.2	E110 T141	H101-E110 VanDerWaalsContact CE1-CG 3.45Å; H101-E110 WeakPolarHBondContact CE1-CG 3.49Å; H101-E110 IonicContact CE1-OE1 3.49Å; H101-E110 PolarHBondContact CE1-OE1 3.45Å; H101-E110 IonicContact CE1-OE2 3.4Å; H101-E110 IonicContact CG-OE1 2.92Å; H101-E110 IonicContact ND1-OE1 3.95Å; H101-E110 PolarHBondContact ND1-OE1 3.05Å; H101-E110 IonicContact ND1-OE2 2.63Å; H101-T141 PolarHBondContact N-O 2.65Å; H101-T141 PolarHBondContact O-N 3.29Å
102	I	95.7	Very high	85.8	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.9	178.2	-58.8	-174.1	0	0	0	107.4	F78 V100 E110 I111 V113 F130 Y138 E139 I140	F78-I102 HydrophobicContact CE1-CD1 4.19Å; V100-I102 HydrophobicContact CG1-CD1 4.44Å; V100-I102 HydrophobicContact CG1-CG1 4.06Å; I102-E110 CarbonylContact O-C 3.46Å; I102-E110 WeakPolarHBondContact O-CA 3.49Å; I102-I111 HydrophobicContact CB-CB 4.03Å; I102-I111 HydrophobicContact CG2-CB 3.83Å; I102-I111 HydrophobicContact CG2-CG1 4.03Å; I102-I111 HydrophobicContact CG2-CG2 4.41Å; I102-I111 PolarHBondContact O-N 2.84Å; I102-V113 HydrophobicContact CB-CG1 4.2Å; I102-V113 HydrophobicContact CD1-CG1 3.43Å; I102-V113 VanDerWaalsContact CD1-CG1 3.43Å; I102-V113 HydrophobicContact CG1-CG1 3.66Å; I102-F130 HydrophobicContact CD1-CB 4Å; I102-F130 HydrophobicContact CD1-CD1 3.45Å; I102-F130 VanDerWaalsContact CD1-CD1 3.45Å; I102-F130 HydrophobicContact CD1-CD2 3.9Å; I102-F130 HydrophobicContact CD1-CE1 3.8Å; I102-F130 HydrophobicContact CD1-CE2 4.19Å; I102-F130 HydrophobicContact CD1-CG 3.51Å; I102-F130 HydrophobicContact CD1-CZ 4.15Å; I102-F130 HydrophobicContact CG2-CD2 4.42Å; I102-F130 HydrophobicContact CG2-CE2 4.46Å; I102-Y138 HydrophobicContact CG2-CD1 3.81Å; I102-E139 VanDerWaalsContact CA-O 3.31Å; I102-E139 WeakPolarHBondContact CA-O 3.26Å; I102-I140 HydrophobicContact CD1-CD1 4.43Å; I102-I140 HydrophobicContact CD1-CG1 4.15Å; I102-I140 HydrophobicContact CD1-CG2 4.29Å; I102-I140 HydrophobicContact CG1-CB 4.38Å; I102-I140 HydrophobicContact CG1-CG1 4.03Å; I102-I140 HydrophobicContact CG1-CG2 4.08Å; I102-I140 HydrophobicContact CG2-CG1 4.09Å
103	S	91.3	Very high	85.9	Confident	17 Å²	17	71.3 Å²	71.3	12%	0.119	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.2	175.2	61.5	0	0	0	0	111.6	V109 Y138 E139	S103-V109 CarbonylContact C-O 3.59Å; S103-V109 VanDerWaalsContact CA-O 3.22Å; S103-V109 WeakPolarHBondContact CA-O 3.43Å; S103-Y138 CarbonylContact O-C 3.52Å; S103-Y138 VanDerWaalsContact O-CA 3.3Å; S103-Y138 WeakPolarHBondContact O-CA 3.33Å; S103-E139 PolarHBondContact N-O 3.36Å; S103-E139 PolarHBondContact O-N 3.27Å
104	H	89.5	Confident	86	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.028	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.3	168.3	-169.3	-57.8	0	0	0	108.7	E106 L107 A108 V109 A135 Y138	H104-E106 IonicContact CE1-OE2 3.35Å; H104-E106 PolarHBondContact CE1-OE2 3.06Å; H104-E106 PolarHBondContact ND1-N 2.87Å; H104-E106 IonicContact ND1-OE2 3.65Å; H104-E106 PolarHBondContact ND1-OE2 3.16Å; H104-E106 VanDerWaalsContact ND1-OE2 3.15Å; H104-L107 HydrophobicContact CB-CB 4.29Å; H104-L107 PolarHBondContact ND1-N 2.77Å; H104-A108 VanDerWaalsContact O-CA 3.24Å; H104-A108 WeakPolarHBondContact O-CA 3.44Å; H104-A108 PolarHBondContact O-N 2.89Å; H104-V109 PolarHBondContact N-O 3.12Å; H104-V109 PolarHBondContact O-N 3.12Å; H104-A135 PolarHBondContact NE2-O 2.88Å; H104-A135 VanDerWaalsContact NE2-O 3.14Å; H104-Y138 AromaticContact CD2-CE2 3.47Å; H104-Y138 VanDerWaalsContact CD2-CE2 3.47Å; H104-Y138 WeakPolarHBondContact CD2-CE2 3.43Å; H104-Y138 AromaticContact CD2-CZ 3.67Å
105	V	91.4	Very high	86.3	Confident	64 Å²	64	68.6 Å²	68.6	39%	0.388	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-47.6	-169.5	175.6	0	0	0	0	111.5	R137 E139	V105-R137 HydrophobicContact CB-CB 4.24Å; V105-R137 HydrophobicContact CB-CG 4.43Å; V105-R137 WeakPolarHBondContact CB-O 3.09Å; V105-R137 HydrophobicContact CG2-CB 4.23Å; V105-R137 HydrophobicContact CG2-CG 3.95Å; V105-R137 WeakPolarHBondContact CG2-O 3.19Å; V105-R137 PolarHBondContact N-O 2.89Å; V105-E139 HydrophobicContact CG2-CB 4.01Å
106	E	87.9	Confident	86.8	Confident	117 Å²	117	67.2 Å²	67.2	55%	0.547	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-35.1	-176.1	-61.1	78.2	-173.4	0	0	113.1	H104 R137	H104-E106 IonicContact CE1-OE2 3.35Å; H104-E106 PolarHBondContact CE1-OE2 3.06Å; H104-E106 PolarHBondContact ND1-N 2.87Å; H104-E106 IonicContact ND1-OE2 3.65Å; H104-E106 PolarHBondContact ND1-OE2 3.16Å; H104-E106 VanDerWaalsContact ND1-OE2 3.15Å; E106-R137 WeakPolarHBondContact OE1-CB 3.21Å; E106-R137 PolarHBondContact OE2-N 2.87Å
107	L	80.8	Confident	87	Confident	96 Å²	96	68.8 Å²	68.8	50%	0.503	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-12.1	-178.4	-60.6	177.3	0	0	0	113.1	H104 V109 K134	H104-L107 HydrophobicContact CB-CB 4.29Å; H104-L107 PolarHBondContact ND1-N 2.77Å; L107-V109 HydrophobicContact CB-CB 4.39Å; L107-V109 HydrophobicContact CB-CG2 3.83Å; L107-V109 PolarHBondContact O-N 2.92Å; L107-K134 HydrophobicContact CD1-CB 4.26Å; L107-K134 HydrophobicContact CD1-CG 4.08Å
108	A	85	Confident	86.5	Confident	89 Å²	89	69.4 Å²	69.4	74%	0.736	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.2	-172.1	0	0	0	0	0	113.6	H104	H104-A108 VanDerWaalsContact O-CA 3.24Å; H104-A108 WeakPolarHBondContact O-CA 3.44Å; H104-A108 PolarHBondContact O-N 2.89Å
109	V	77.9	Confident	85.6	Confident	74 Å²	74	77.2 Å²	77.2	45%	0.448	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.5	-178.8	174.1	0	0	0	0	109.9	S103 H104 L107 I111	S103-V109 CarbonylContact C-O 3.59Å; S103-V109 VanDerWaalsContact CA-O 3.22Å; S103-V109 WeakPolarHBondContact CA-O 3.43Å; H104-V109 PolarHBondContact N-O 3.12Å; H104-V109 PolarHBondContact O-N 3.12Å; L107-V109 HydrophobicContact CB-CB 4.39Å; L107-V109 HydrophobicContact CB-CG2 3.83Å; L107-V109 PolarHBondContact O-N 2.92Å; V109-I111 HydrophobicContact CG1-CD1 4.33Å
110	E	82.1	Confident	84.9	Confident	129 Å²	129	75.1 Å²	75.1	60%	0.603	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.5	172.4	-176.5	171.1	-167.8	0	0	111.2	H101 I102	H101-E110 VanDerWaalsContact CE1-CG 3.45Å; H101-E110 WeakPolarHBondContact CE1-CG 3.49Å; H101-E110 IonicContact CE1-OE1 3.49Å; H101-E110 PolarHBondContact CE1-OE1 3.45Å; H101-E110 IonicContact CE1-OE2 3.4Å; H101-E110 IonicContact CG-OE1 2.92Å; H101-E110 IonicContact ND1-OE1 3.95Å; H101-E110 PolarHBondContact ND1-OE1 3.05Å; H101-E110 IonicContact ND1-OE2 2.63Å; I102-E110 CarbonylContact O-C 3.46Å; I102-E110 WeakPolarHBondContact O-CA 3.49Å
111	I	84.2	Confident	83.7	Confident	21 Å²	21	79.4 Å²	79.4	11%	0.108	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.2	-174.4	-52	-67.5	0	0	0	108.5	I102 V109 F130 Y138	I102-I111 HydrophobicContact CB-CB 4.03Å; I102-I111 HydrophobicContact CG2-CB 3.83Å; I102-I111 HydrophobicContact CG2-CG1 4.03Å; I102-I111 HydrophobicContact CG2-CG2 4.41Å; I102-I111 PolarHBondContact O-N 2.84Å; V109-I111 HydrophobicContact CG1-CD1 4.33Å; I111-F130 HydrophobicContact CG2-CB 4.31Å; I111-F130 HydrophobicContact CG2-CD2 4.24Å; I111-Y138 HydrophobicContact CD1-CE1 3.92Å; I111-Y138 HydrophobicContact CG1-CD1 4.13Å; I111-Y138 HydrophobicContact CG1-CE1 3.69Å
112	P	82.4	Confident	82.6	Confident	113 Å²	113	82.3 Å²	82.3	73%	0.734	45%	0.452	S	S	*	.			trans	-65.1	142.3	179	26.9	-33.8	0	0	0	110.9
113	V	88.2	Confident	82	Confident	42 Å²	42	82.6 Å²	82.6	26%	0.255	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.7	179.4	-54.3	0	0	0	0	110.7	V100 I102 V128 A129 F130	V100-V113 HydrophobicContact CB-CG2 4.26Å; V100-V113 HydrophobicContact CG1-CG1 4.34Å; V100-V113 HydrophobicContact CG1-CG2 4.43Å; I102-V113 HydrophobicContact CB-CG1 4.2Å; I102-V113 HydrophobicContact CD1-CG1 3.43Å; I102-V113 VanDerWaalsContact CD1-CG1 3.43Å; I102-V113 HydrophobicContact CG1-CG1 3.66Å; V113-V128 HydrophobicContact CB-CG1 4.11Å; V113-A129 WeakPolarHBondContact CA-O 3.29Å; V113-F130 HydrophobicContact CG1-CB 4.1Å
114	T	81.8	Confident	82	Confident	95 Å²	95	83 Å²	83	58%	0.583	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	144.1	169.8	54.4	0	0	0	0	108.8	V128 A129	T114-V128 CarbonylContact O-C 3.57Å; T114-V128 VanDerWaalsContact O-CA 3.26Å; T114-V128 WeakPolarHBondContact O-CA 3.42Å; T114-A129 PolarHBondContact N-O 2.88Å; T114-A129 PolarHBondContact O-N 3.39Å; T114-A129 PolarHBondContact OG1-O 3.3Å; T114-A129 VanDerWaalsContact OG1-O 3.05Å
115	Q	86.1	Confident	82.1	Confident	89 Å²	89	83.4 Å²	83.4	42%	0.416	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.4	178.7	-58.8	-177	-1.9	0	0	109	V126 K127 V128	Q115-V126 HydrophobicContact CB-CG1 4.21Å; Q115-K127 CarbonylContact C-O 3.57Å; Q115-K127 WeakPolarHBondContact CA-O 3.44Å; Q115-V128 HydrophobicContact CG-CG1 4.46Å; Q115-V128 HydrophobicContact CG-CG2 4.31Å
116	E	84.8	Confident	82.2	Confident	98 Å²	98	80.7 Å²	80.7	46%	0.458	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.6	179.5	-173.5	-176.2	-176.9	0	0	109.4	K127	E116-K127 PolarHBondContact N-O 3.15Å; E116-K127 PolarHBondContact O-N 2.87Å
117	V	81.5	Confident	82.4	Confident	57 Å²	57	78.2 Å²	78.2	35%	0.345	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123	167.7	-179.2	0	0	0	0	107.2	A92 Q119 V126	A92-V117 HydrophobicContact CB-CG1 3.7Å; A92-V117 HydrophobicContact CB-CG2 4.17Å; V117-Q119 PolarHBondContact O-N 3.05Å; V117-V126 HydrophobicContact CG2-CG2 4.42Å
118	L	75.5	Confident	83	Confident	58 Å²	58	73.7 Å²	73.7	30%	0.304	41%	0.405	S	S	.	.			trans	-59.2	138.5	179.7	-65.8	174	0	0	0	110	E120 S123 V125 K127	L118-E120 PolarHBondContact O-N 2.97Å; L118-S123 WeakPolarHBondContact O-CB 3.5Å; L118-V125 HydrophobicContact CD1-CB 4.1Å; L118-V125 HydrophobicContact CD1-CG1 4.02Å; L118-K127 HydrophobicContact CD2-CB 4.4Å; L118-K127 HydrophobicContact CD2-CD 4.48Å
119	Q	70.9	Confident	83.1	Confident	183 Å²	183	70.5 Å²	70.5	86%	0.855	38%	0.379	S	S	*	.	S	Bend	trans	-60.1	2.5	-165.2	-66.3	-177.5	1	0	0	116.7	V117	V117-Q119 PolarHBondContact O-N 3.05Å
120	E	76.7	Confident	83.6	Confident	141 Å²	141	67.2 Å²	67.2	66%	0.659	36%	0.358	S	S	*	.	S	Bend	trans	-79.5	129.1	174.9	-64.1	177.6	-175.4	0	0	110.3	L118 N122 S123	L118-E120 PolarHBondContact O-N 2.97Å; E120-N122 PolarHBondContact O-N 3.49Å; E120-S123 VanDerWaalsContact O-CB 3.28Å; E120-S123 WeakPolarHBondContact O-CB 3.23Å; E120-S123 PolarHBondContact O-N 3.05Å
121	P	68.9	Low	83.7	Confident	107 Å²	107	63.7 Å²	63.7	70%	0.695	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.8	-175.7	-3.9	0.3	0	0	0	113.7	H93	H93-P121 PolarHBondContact CE1-O 3.22Å; H93-P121 PolarHBondContact ND1-O 3Å; H93-P121 VanDerWaalsContact ND1-O 3.07Å
122	N	71.8	Confident	83.9	Confident	132 Å²	132	62.7 Å²	62.7	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	13.9	179.4	-66.9	-24.2	0	0	0	113.2	E120 N124	E120-N122 PolarHBondContact O-N 3.49Å; N122-N124 PolarHBondContact O-N 3.32Å
123	S	83.7	Confident	84	Confident	7 Å²	7	62 Å²	62	5%	0.049	32%	0.324	C	S	.	.			trans	-60.6	129.6	176.7	-167.4	0	0	0	0	110	A92 L118 E120 V125	A92-S123 WeakPolarHBondContact CB-O 3.48Å; A92-S123 PolarHBondContact N-O 2.92Å; L118-S123 WeakPolarHBondContact O-CB 3.5Å; E120-S123 VanDerWaalsContact O-CB 3.28Å; E120-S123 WeakPolarHBondContact O-CB 3.23Å; E120-S123 PolarHBondContact O-N 3.05Å; S123-V125 VanDerWaalsContact C-N 3.32Å; S123-V125 PolarHBondContact OG-N 2.86Å
124	N	91.5	Very high	84	Confident	25 Å²	25	63.9 Å²	63.9	13%	0.134	33%	0.328	C	S	.	.			trans	-98.5	16	170	72.3	-53.3	0	0	0	112.1	L82 P89 F90 N122	L82-N124 PolarHBondContact N-O 3.45Å; L82-N124 WeakPolarHBondContact O-CB 3.21Å; L82-N124 PolarHBondContact O-ND2 2.88Å; P89-N124 HydrophobicContact CB-CB 3.67Å; F90-N124 WeakPolarHBondContact O-CA 3.5Å; F90-N124 WeakPolarHBondContact O-CB 3.5Å; N122-N124 PolarHBondContact O-N 3.32Å
125	V	92.1	Very high	84.5	Confident	14 Å²	14	60.5 Å²	60.5	9%	0.085	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.8	-169.7	-173.8	0	0	0	0	110.2	R79 V80 H81 L118 S123	R79-V125 HydrophobicContact CB-CG1 3.64Å; R79-V125 HydrophobicContact CG-CG1 3.94Å; V80-V125 WeakPolarHBondContact O-CA 3.48Å; H81-V125 WeakPolarHBondContact ND1-CG2 3.36Å; L118-V125 HydrophobicContact CD1-CB 4.1Å; L118-V125 HydrophobicContact CD1-CG1 4.02Å; S123-V125 VanDerWaalsContact C-N 3.32Å; S123-V125 PolarHBondContact OG-N 2.86Å
126	V	91.6	Very high	84.8	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.8	168	-174.6	0	0	0	0	108.2	R79 V80 L82 A92 L98 Q115 V117 V128	R79-V126 WeakPolarHBondContact CA-O 3.5Å; V80-V126 HydrophobicContact CB-CB 4.46Å; V80-V126 PolarHBondContact N-O 2.85Å; V80-V126 PolarHBondContact O-N 2.73Å; L82-V126 HydrophobicContact CD1-CG2 4.02Å; A92-V126 HydrophobicContact CB-CG2 3.88Å; L98-V126 HydrophobicContact CD2-CB 3.95Å; L98-V126 HydrophobicContact CD2-CG1 3.79Å; L98-V126 HydrophobicContact CD2-CG2 4.04Å; Q115-V126 HydrophobicContact CB-CG1 4.21Å; V117-V126 HydrophobicContact CG2-CG2 4.42Å; V126-V128 HydrophobicContact CG1-CG2 4.4Å
127	K	92.6	Very high	85.3	Confident	66 Å²	66	57.1 Å²	57.1	29%	0.287	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.6	171.4	-173.4	-178.4	179.2	-172.9	0	108.5	A77 Q115 E116 L118	A77-K127 HydrophobicContact CB-CG 4.4Å; Q115-K127 CarbonylContact C-O 3.57Å; Q115-K127 WeakPolarHBondContact CA-O 3.44Å; E116-K127 PolarHBondContact N-O 3.15Å; E116-K127 PolarHBondContact O-N 2.87Å; L118-K127 HydrophobicContact CD2-CB 4.4Å; L118-K127 HydrophobicContact CD2-CD 4.48Å
128	V	93	Very high	86	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125	176.6	-174.2	0	0	0	0	107.8	A77 F78 V80 V100 V113 T114 Q115 V126	A77-V128 CarbonylContact C-O 3.57Å; A77-V128 VanDerWaalsContact CA-O 3.22Å; A77-V128 WeakPolarHBondContact CA-O 3.38Å; F78-V128 HydrophobicContact CD1-CB 4.16Å; F78-V128 HydrophobicContact CD1-CG1 4.46Å; F78-V128 HydrophobicContact CD2-CB 4.16Å; F78-V128 HydrophobicContact CD2-CG2 4.4Å; F78-V128 HydrophobicContact CE1-CB 3.78Å; F78-V128 HydrophobicContact CE1-CG1 3.68Å; F78-V128 HydrophobicContact CE2-CB 3.78Å; F78-V128 HydrophobicContact CE2-CG1 4.27Å; F78-V128 HydrophobicContact CE2-CG2 3.84Å; F78-V128 HydrophobicContact CG-CB 4.37Å; F78-V128 HydrophobicContact CZ-CB 3.59Å; F78-V128 HydrophobicContact CZ-CG1 3.59Å; F78-V128 HydrophobicContact CZ-CG2 4.01Å; F78-V128 PolarHBondContact N-O 3.17Å; F78-V128 PolarHBondContact O-N 3.2Å; V80-V128 HydrophobicContact CG2-CG2 4.1Å; V100-V128 HydrophobicContact CB-CG1 4.41Å; V100-V128 HydrophobicContact CG1-CG1 4.11Å; V100-V128 HydrophobicContact CG2-CG1 4.33Å; V100-V128 HydrophobicContact CG2-CG2 4.13Å; V113-V128 HydrophobicContact CB-CG1 4.11Å; T114-V128 CarbonylContact O-C 3.57Å; T114-V128 VanDerWaalsContact O-CA 3.26Å; T114-V128 WeakPolarHBondContact O-CA 3.42Å; Q115-V128 HydrophobicContact CG-CG1 4.46Å; Q115-V128 HydrophobicContact CG-CG2 4.31Å; V126-V128 HydrophobicContact CG1-CG2 4.4Å
129	A	88.2	Confident	87	Confident	23 Å²	23	54.2 Å²	54.2	19%	0.19	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.4	179.7	0	0	0	0	0	112	M76 A77 V113 T114	M76-A129 CarbonylContact O-C 3.47Å; M76-A129 WeakPolarHBondContact O-CA 3.43Å; A77-A129 HydrophobicContact CB-CB 4.13Å; V113-A129 WeakPolarHBondContact CA-O 3.29Å; T114-A129 PolarHBondContact N-O 2.88Å; T114-A129 PolarHBondContact O-N 3.39Å; T114-A129 PolarHBondContact OG1-O 3.3Å; T114-A129 VanDerWaalsContact OG1-O 3.05Å
130	F	87.1	Confident	88.2	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.3	-179.3	66.1	-78.1	0	0	0	109.9	W66 S75 M76 F78 I102 I111 V113 V132 I140 F158	W66-F130 AromaticContact CH2-CE1 3.78Å; W66-F130 HydrophobicContact CH2-CE1 3.78Å; W66-F130 AromaticContact CH2-CZ 3.75Å; W66-F130 HydrophobicContact CH2-CZ 3.75Å; W66-F130 HydrophobicContact CZ2-CZ 4.46Å; W66-F130 HydrophobicContact CZ3-CE1 4.19Å; W66-F130 HydrophobicContact CZ3-CZ 4.49Å; S75-F130 CarbonylContact C-O 3.6Å; S75-F130 WeakPolarHBondContact CA-O 3.24Å; M76-F130 HydrophobicContact CB-CD1 4.27Å; M76-F130 HydrophobicContact CB-CE1 3.79Å; M76-F130 HydrophobicContact CB-CE2 4.21Å; M76-F130 HydrophobicContact CB-CZ 3.76Å; M76-F130 HydrophobicContact CG-CZ 4.38Å; M76-F130 PolarHBondContact N-O 3.38Å; M76-F130 PolarHBondContact O-N 2.99Å; F78-F130 HydrophobicContact CD1-CD1 4.41Å; F78-F130 AromaticContact CD1-CE1 3.97Å; F78-F130 HydrophobicContact CD1-CE1 3.97Å; F78-F130 HydrophobicContact CE1-CD1 4.29Å; F78-F130 HydrophobicContact CE1-CE1 4.1Å; I102-F130 HydrophobicContact CD1-CB 4Å; I102-F130 HydrophobicContact CD1-CD1 3.45Å; I102-F130 VanDerWaalsContact CD1-CD1 3.45Å; I102-F130 HydrophobicContact CD1-CD2 3.9Å; I102-F130 HydrophobicContact CD1-CE1 3.8Å; I102-F130 HydrophobicContact CD1-CE2 4.19Å; I102-F130 HydrophobicContact CD1-CG 3.51Å; I102-F130 HydrophobicContact CD1-CZ 4.15Å; I102-F130 HydrophobicContact CG2-CD2 4.42Å; I102-F130 HydrophobicContact CG2-CE2 4.46Å; I111-F130 HydrophobicContact CG2-CB 4.31Å; I111-F130 HydrophobicContact CG2-CD2 4.24Å; V113-F130 HydrophobicContact CG1-CB 4.1Å; F130-V132 HydrophobicContact CD2-CG2 3.72Å; F130-V132 HydrophobicContact CE2-CG2 3.33Å; F130-V132 HydrophobicContact CZ-CG2 4.26Å; F130-I140 HydrophobicContact CE1-CD1 4.27Å; F130-I140 HydrophobicContact CZ-CD1 3.9Å; F130-F158 HydrophobicContact CE2-CE2 4.25Å; F130-F158 HydrophobicContact CE2-CZ 4.23Å; F130-F158 HydrophobicContact CZ-CE2 4.41Å; F130-F158 HydrophobicContact CZ-CZ 4.11Å
131	T	84.9	Confident	89.2	Confident	55 Å²	55	39.6 Å²	39.6	34%	0.337	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.5	-177.4	-61.3	0	0	0	0	110.4	S75 R133	S75-T131 PolarHBondContact OG-OG1 3.3Å; T131-R133 HydrophobicContact CG2-CG 4.09Å
132	V	89.2	Confident	90.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.			trans	-105	117.4	-178.9	-178.3	0	0	0	0	109.4	V72 G73 H74 M76 F130 Y138 F158	V72-V132 HydrophobicContact CB-CG1 4.48Å; V72-V132 HydrophobicContact CG1-CG1 4.02Å; G73-V132 PolarHBondContact N-O 2.82Å; H74-V132 PolarHBondContact O-N 2.65Å; H74-V132 VanDerWaalsContact O-N 3.09Å; M76-V132 HydrophobicContact CB-CG2 4.41Å; M76-V132 HydrophobicContact CG-CB 4.33Å; M76-V132 HydrophobicContact CG-CG2 3.58Å; F130-V132 HydrophobicContact CD2-CG2 3.72Å; F130-V132 HydrophobicContact CE2-CG2 3.33Å; F130-V132 HydrophobicContact CZ-CG2 4.26Å; V132-Y138 HydrophobicContact CG1-CE2 4.18Å; V132-F158 HydrophobicContact CB-CD1 4.33Å; V132-F158 HydrophobicContact CB-CE1 4.47Å; V132-F158 HydrophobicContact CB-CG 4.37Å; V132-F158 HydrophobicContact CG1-CB 3.73Å; V132-F158 HydrophobicContact CG1-CD1 3.86Å; V132-F158 HydrophobicContact CG1-CD2 3.7Å; V132-F158 HydrophobicContact CG1-CE1 4.4Å; V132-F158 HydrophobicContact CG1-CE2 4.26Å; V132-F158 HydrophobicContact CG1-CG 3.48Å; V132-F158 VanDerWaalsContact CG1-CG 3.48Å; V132-F158 HydrophobicContact CG2-CD1 4.22Å; V132-F158 HydrophobicContact CG2-CD2 4.09Å; V132-F158 HydrophobicContact CG2-CE1 3.92Å; V132-F158 HydrophobicContact CG2-CE2 3.77Å; V132-F158 HydrophobicContact CG2-CG 4.31Å; V132-F158 HydrophobicContact CG2-CZ 3.69Å
133	R	84.8	Confident	91.6	Very high	100 Å²	100	32.1 Å²	32.1	38%	0.377	16%	0.159	S	C	.	.			trans	-120.8	-21.3	177.4	-56.6	-62.1	-176.8	-164.9	-8.9	113.1	G73 T131 Y195 N197	G73-R133 VanDerWaalsContact CA-NH1 3.25Å; G73-R133 PolarHBondContact O-NH1 2.88Å; T131-R133 HydrophobicContact CG2-CG 4.09Å; R133-Y195 HydrophobicContact CB-CD1 4.3Å; R133-Y195 HydrophobicContact CB-CG 4.35Å; R133-Y195 VanDerWaalsContact CD-CE1 3.48Å; R133-Y195 HydrophobicContact CG-CD1 4.39Å; R133-Y195 PolarHBondContact NH1-OH 3.37Å; R133-Y195 WeakPolarHBondContact O-CB 3.46Å; R133-N197 PolarHBondContact O-ND2 3.24Å
134	K	87.6	Confident	91.9	Very high	80 Å²	80	32.2 Å²	32.2	35%	0.348	16%	0.159	S	C	.	.	S	Bend	trans	-103.3	132.9	178.6	-66.5	-58.8	-176.9	-171	0	110.3	V72 L107 Y138 Y195 N197	V72-K134 WeakPolarHBondContact CG1-O 3.44Å; L107-K134 HydrophobicContact CD1-CB 4.26Å; L107-K134 HydrophobicContact CD1-CG 4.08Å; K134-Y138 PolarHBondContact N-OH 2.8Å; K134-Y138 VanDerWaalsContact O-CE2 3.24Å; K134-Y138 WeakPolarHBondContact O-CE2 3.46Å; K134-Y138 PolarHBondContact O-OH 2.98Å; K134-Y195 PolarHBondContact NZ-O 3.46Å; K134-N197 WeakPolarHBondContact CA-OD1 3.49Å; K134-N197 WeakPolarHBondContact CD-OD1 3.43Å
135	A	91.9	Very high	91.4	Very high	25 Å²	25	32.5 Å²	32.5	21%	0.207	17%	0.168	C	C	.	.			trans	-79.9	140.2	176.3	0	0	0	0	0	109.3	V72 H104 F158 P160 N197	V72-A135 HydrophobicContact CG1-CB 3.95Å; H104-A135 PolarHBondContact NE2-O 2.88Å; H104-A135 VanDerWaalsContact NE2-O 3.14Å; A135-F158 WeakPolarHBondContact CA-O 3.44Å; A135-P160 HydrophobicContact CB-CB 3.87Å; A135-P160 HydrophobicContact CB-CG 4.41Å; A135-N197 HydrophobicContact CB-CB 3.95Å; A135-N197 PolarHBondContact N-OD1 2.78Å
136	G	92.7	Very high	91	Very high	18 Å²	18	34.1 Å²	34.1	19%	0.186	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141	-164.3	-177	0	0	0	0	0	112.9	I157 F158	G136-I157 WeakPolarHBondContact O-CA 3.28Å; G136-F158 PolarHBondContact N-O 3.24Å; G136-F158 PolarHBondContact O-N 3.18Å
137	R	94.7	Very high	90.9	Very high	97 Å²	97	38.1 Å²	38.1	37%	0.366	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.1	-176.5	-173.2	179.8	171.9	-179.3	-4.2	110.2	V105 E106 Y155 K156 I157	V105-R137 HydrophobicContact CB-CB 4.24Å; V105-R137 HydrophobicContact CB-CG 4.43Å; V105-R137 WeakPolarHBondContact CB-O 3.09Å; V105-R137 HydrophobicContact CG2-CB 4.23Å; V105-R137 HydrophobicContact CG2-CG 3.95Å; V105-R137 WeakPolarHBondContact CG2-O 3.19Å; V105-R137 PolarHBondContact N-O 2.89Å; E106-R137 WeakPolarHBondContact OE1-CB 3.21Å; E106-R137 PolarHBondContact OE2-N 2.87Å; R137-Y155 HydrophobicContact CG-CD1 4.41Å; R137-Y155 VanDerWaalsContact NH2-CD2 3.29Å; R137-K156 CarbonylContact C-O 3.59Å; R137-K156 WeakPolarHBondContact CA-O 3.49Å; R137-I157 HydrophobicContact CB-CG1 4.47Å; R137-I157 HydrophobicContact CG-CG1 4.4Å
138	Y	95.7	Very high	90.8	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.2	177.3	-76.3	-117.5	0	0	0	109.3	I102 S103 H104 I111 V132 K134 Y155 K156 F158	I102-Y138 HydrophobicContact CG2-CD1 3.81Å; S103-Y138 CarbonylContact O-C 3.52Å; S103-Y138 VanDerWaalsContact O-CA 3.3Å; S103-Y138 WeakPolarHBondContact O-CA 3.33Å; H104-Y138 AromaticContact CD2-CE2 3.47Å; H104-Y138 VanDerWaalsContact CD2-CE2 3.47Å; H104-Y138 WeakPolarHBondContact CD2-CE2 3.43Å; H104-Y138 AromaticContact CD2-CZ 3.67Å; I111-Y138 HydrophobicContact CD1-CE1 3.92Å; I111-Y138 HydrophobicContact CG1-CD1 4.13Å; I111-Y138 HydrophobicContact CG1-CE1 3.69Å; V132-Y138 HydrophobicContact CG1-CE2 4.18Å; K134-Y138 PolarHBondContact N-OH 2.8Å; K134-Y138 VanDerWaalsContact O-CE2 3.24Å; K134-Y138 WeakPolarHBondContact O-CE2 3.46Å; K134-Y138 PolarHBondContact O-OH 2.98Å; Y138-Y155 VanDerWaalsContact O-CA 3.29Å; Y138-Y155 WeakPolarHBondContact O-CA 3.48Å; Y138-K156 PolarHBondContact N-O 2.86Å; Y138-K156 PolarHBondContact O-N 3.19Å; Y138-F158 AromaticContact CD2-CD2 3.56Å; Y138-F158 HydrophobicContact CD2-CD2 3.56Å; Y138-F158 HydrophobicContact CD2-CE2 4.09Å; Y138-F158 AromaticContact CE2-CD2 3.88Å; Y138-F158 HydrophobicContact CE2-CD2 3.88Å; Y138-F158 HydrophobicContact CG-CD2 4.04Å; Y138-F158 HydrophobicContact CG-CE2 4.09Å
139	E	97.1	Very high	90.8	Very high	53 Å²	53	38.3 Å²	38.3	25%	0.248	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.3	169.2	-175.1	177.5	-99.5	0	0	109.1	I102 S103 V105 P153 Y154 Y155	I102-E139 VanDerWaalsContact CA-O 3.31Å; I102-E139 WeakPolarHBondContact CA-O 3.26Å; S103-E139 PolarHBondContact N-O 3.36Å; S103-E139 PolarHBondContact O-N 3.27Å; V105-E139 HydrophobicContact CG2-CB 4.01Å; E139-P153 HydrophobicContact CG-CB 3.78Å; E139-P153 HydrophobicContact CG-CG 4.48Å; E139-Y154 CarbonylContact C-O 3.47Å; E139-Y154 WeakPolarHBondContact CA-O 3.25Å; E139-Y155 HydrophobicContact CB-CD1 4.06Å; E139-Y155 HydrophobicContact CB-CE1 3.75Å; E139-Y155 HydrophobicContact CG-CD1 4.21Å; E139-Y155 HydrophobicContact CG-CE1 3.58Å; E139-Y155 VanDerWaalsContact OE1-CE1 3.25Å; E139-Y155 WeakPolarHBondContact OE1-CE1 3.39Å; E139-Y155 VanDerWaalsContact OE1-CZ 3.29Å; E139-Y155 PolarHBondContact OE1-OH 3.39Å
140	I	97.3	Very high	91	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	104.3	-178.8	-58.5	174.7	0	0	0	107.8	W64 F78 I102 F130 V142 P153 Y154 K156	W64-I140 HydrophobicContact CH2-CB 4.29Å; W64-I140 HydrophobicContact CH2-CD1 3.61Å; W64-I140 HydrophobicContact CH2-CG2 4.1Å; W64-I140 HydrophobicContact CZ3-CD1 3.55Å; F78-I140 HydrophobicContact CE1-CG2 3.95Å; F78-I140 HydrophobicContact CZ-CG2 3.81Å; I102-I140 HydrophobicContact CD1-CD1 4.43Å; I102-I140 HydrophobicContact CD1-CG1 4.15Å; I102-I140 HydrophobicContact CD1-CG2 4.29Å; I102-I140 HydrophobicContact CG1-CB 4.38Å; I102-I140 HydrophobicContact CG1-CG1 4.03Å; I102-I140 HydrophobicContact CG1-CG2 4.08Å; I102-I140 HydrophobicContact CG2-CG1 4.09Å; F130-I140 HydrophobicContact CE1-CD1 4.27Å; F130-I140 HydrophobicContact CZ-CD1 3.9Å; I140-V142 HydrophobicContact CG2-CG2 4.22Å; I140-P153 WeakPolarHBondContact O-CA 3.44Å; I140-Y154 PolarHBondContact N-O 3.49Å; I140-Y154 WeakPolarHBondContact O-CD2 3.5Å; I140-Y154 PolarHBondContact O-N 2.65Å; I140-K156 HydrophobicContact CD1-CB 4.41Å; I140-K156 HydrophobicContact CD1-CG 3.89Å
141	T	97.3	Very high	91.3	Very high	17 Å²	17	48 Å²	48	10%	0.104	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.6	178.5	-66	0	0	0	0	109.8	V100 H101 K143	V100-T141 WeakPolarHBondContact CA-O 3.29Å; H101-T141 PolarHBondContact N-O 2.65Å; H101-T141 PolarHBondContact O-N 3.29Å; T141-K143 HydrophobicContact CG2-CD 4.07Å; T141-K143 HydrophobicContact CG2-CG 3.92Å
142	V	96.7	Very high	91.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.1	175.5	-176.6	0	0	0	0	108.5	F78 V80 L98 V100 I140 V149 S152 Y154	F78-V142 HydrophobicContact CE2-CG2 3.92Å; F78-V142 HydrophobicContact CZ-CG2 4.12Å; V80-V142 HydrophobicContact CG1-CG1 4.42Å; V80-V142 HydrophobicContact CG2-CG1 4.1Å; L98-V142 HydrophobicContact CD1-CG1 3.78Å; V100-V142 HydrophobicContact CG2-CG1 4.31Å; V100-V142 HydrophobicContact CG2-CG2 4.28Å; I140-V142 HydrophobicContact CG2-CG2 4.22Å; V142-V149 HydrophobicContact CB-CG2 3.67Å; V142-V149 HydrophobicContact CG1-CG1 3.97Å; V142-V149 HydrophobicContact CG1-CG2 3.73Å; V142-V149 PolarHBondContact O-N 2.84Å; V142-S152 PolarHBondContact N-OG 2.87Å; V142-S152 WeakPolarHBondContact O-CB 3.3Å; V142-S152 PolarHBondContact O-OG 2.92Å; V142-Y154 HydrophobicContact CG2-CD2 4.46Å; V142-Y154 HydrophobicContact CG2-CE2 4.18Å
143	K	93.8	Very high	92.1	Very high	81 Å²	81	48 Å²	48	35%	0.352	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.3	-179.7	-75.4	176.6	179	179	0	111.1	L98 R99 T141 L147 N148	L98-K143 CarbonylContact C-O 3.39Å; L98-K143 WeakPolarHBondContact CA-O 3.37Å; R99-K143 HydrophobicContact CB-CB 4.46Å; R99-K143 PolarHBondContact N-O 2.7Å; R99-K143 PolarHBondContact O-N 2.9Å; T141-K143 HydrophobicContact CG2-CD 4.07Å; T141-K143 HydrophobicContact CG2-CG 3.92Å; K143-L147 CarbonylContact C-O 3.53Å; K143-L147 WeakPolarHBondContact CA-O 3.27Å; K143-N148 WeakPolarHBondContact CE-OD1 3.27Å; K143-N148 WeakPolarHBondContact CG-OD1 3.24Å
144	L	89.7	Confident	92.7	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.047	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.7	175	-169.6	82.5	0	0	0	108.7	L55 P57 L82 V96 L98 G146 L147 V149	L55-L144 HydrophobicContact CD1-CD2 4.21Å; L55-L144 HydrophobicContact CD2-CD1 3.81Å; L55-L144 HydrophobicContact CD2-CD2 3.35Å; L55-L144 HydrophobicContact CD2-CG 4Å; L55-L144 HydrophobicContact CG-CD2 3.39Å; P57-L144 HydrophobicContact CB-CB 4.11Å; P57-L144 HydrophobicContact CB-CD2 4.28Å; P57-L144 HydrophobicContact CG-CB 4.06Å; P57-L144 HydrophobicContact CG-CD2 3.92Å; P57-L144 HydrophobicContact CG-CG 4.48Å; L82-L144 HydrophobicContact CD2-CD1 4.43Å; V96-L144 HydrophobicContact CB-CD1 3.99Å; V96-L144 HydrophobicContact CG2-CD1 4.45Å; V96-L144 WeakPolarHBondContact O-CD1 3.38Å; L98-L144 HydrophobicContact CB-CD1 4.28Å; L98-L144 HydrophobicContact CD1-CD1 4.38Å; L144-G146 PolarHBondContact O-N 3.15Å; L144-G146 VanDerWaalsContact O-N 3.16Å; L144-L147 PolarHBondContact N-O 3.34Å; L144-L147 PolarHBondContact O-N 3.02Å; L144-L147 VanDerWaalsContact O-N 3.12Å; L144-V149 HydrophobicContact CB-CG1 4.15Å
145	G	81.7	Confident	93.1	Very high	32 Å²	32	45.9 Å²	45.9	33%	0.33	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	21	-173.5	0	0	0	0	0	113.8	R40 G97	R40-G145 PolarHBondContact NH2-O 3.3Å; G97-G145 PolarHBondContact O-N 3.27Å
146	G	83	Confident	93.2	Very high	47 Å²	47	45.7 Å²	45.7	49%	0.485	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	-9.6	-176.6	0	0	0	0	0	115.2	L144	L144-G146 PolarHBondContact O-N 3.15Å; L144-G146 VanDerWaalsContact O-N 3.16Å
147	L	89.1	Confident	93.3	Very high	92 Å²	92	49.8 Å²	49.8	48%	0.482	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141.2	174	-64.1	174.5	0	0	0	110.9	P57 K143 L144	P57-L147 HydrophobicContact CB-CB 4.38Å; P57-L147 HydrophobicContact CG-CB 4.03Å; P57-L147 HydrophobicContact CG-CD1 4.32Å; K143-L147 CarbonylContact C-O 3.53Å; K143-L147 WeakPolarHBondContact CA-O 3.27Å; L144-L147 PolarHBondContact N-O 3.34Å; L144-L147 PolarHBondContact O-N 3.02Å; L144-L147 VanDerWaalsContact O-N 3.12Å
148	N	92.2	Very high	93.3	Very high	65 Å²	65	45.2 Å²	45.2	35%	0.348	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	139.1	174.2	-73.9	-4.3	0	0	0	110.9	K143 S152	K143-N148 WeakPolarHBondContact CE-OD1 3.27Å; K143-N148 WeakPolarHBondContact CG-OD1 3.24Å; N148-S152 PolarHBondContact ND2-O 2.68Å
149	V	93.4	Very high	93.1	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.024	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-70.9	169.3	165.7	-55.2	0	0	0	0	110.5	P57 C60 V62 V142 L144 Y151 S152 Y154	P57-V149 VanDerWaalsContact O-CA 3.25Å; P57-V149 WeakPolarHBondContact O-CA 3.39Å; P57-V149 WeakPolarHBondContact O-CB 3.32Å; C60-V149 HydrophobicContact CB-CB 4.2Å; C60-V149 HydrophobicContact CB-CG1 4.02Å; V62-V149 HydrophobicContact CG2-CG2 4.19Å; V142-V149 HydrophobicContact CB-CG2 3.67Å; V142-V149 HydrophobicContact CG1-CG1 3.97Å; V142-V149 HydrophobicContact CG1-CG2 3.73Å; V142-V149 PolarHBondContact O-N 2.84Å; L144-V149 HydrophobicContact CB-CG1 4.15Å; V149-Y151 PolarHBondContact O-N 3.38Å; V149-S152 WeakPolarHBondContact O-CB 3.47Å; V149-S152 PolarHBondContact O-N 3.03Å; V149-Y154 HydrophobicContact CG2-CE2 4.41Å
150	A	90.5	Very high	92.9	Very high	24 Å²	24	47.8 Å²	47.8	20%	0.198	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	129	-179.9	0	0	0	0	0	112.1	P57 S152 Y154	P57-A150 PolarHBondContact O-N 2.86Å; A150-S152 PolarHBondContact O-N 3.1Å; A150-Y154 PolarHBondContact O-OH 3.1Å
151	Y	93.9	Very high	92.5	Very high	207 Å²	207	48.2 Å²	48.2	81%	0.812	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	3.3	-179.5	-45.2	-78.4	0	0	0	116.6	V149 P153	V149-Y151 PolarHBondContact O-N 3.38Å; Y151-P153 CarbonylContact O-C 3.52Å; Y151-P153 VanDerWaalsContact O-O 3.07Å
152	S	95.6	Very high	92.2	Very high	13 Å²	13	50.8 Å²	50.8	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-76.2	138.6	171.2	173.6	0	0	0	0	110.9	V142 N148 V149 A150	V142-S152 PolarHBondContact N-OG 2.87Å; V142-S152 WeakPolarHBondContact O-CB 3.3Å; V142-S152 PolarHBondContact O-OG 2.92Å; N148-S152 PolarHBondContact ND2-O 2.68Å; V149-S152 WeakPolarHBondContact O-CB 3.47Å; V149-S152 PolarHBondContact O-N 3.03Å; A150-S152 PolarHBondContact O-N 3.1Å
153	P	96.4	Very high	91.9	Very high	41 Å²	41	51.5 Å²	51.5	27%	0.266	27%	0.27	S	S	.	.	S	Bend	cis	-78.3	150.6	3.7	33	-36.2	0	0	0	113.9	E139 I140 Y151 Y155	E139-P153 HydrophobicContact CG-CB 3.78Å; E139-P153 HydrophobicContact CG-CG 4.48Å; I140-P153 WeakPolarHBondContact O-CA 3.44Å; Y151-P153 CarbonylContact O-C 3.52Å; Y151-P153 VanDerWaalsContact O-O 3.07Å; P153-Y155 HydrophobicContact CG-CE2 4.33Å
154	Y	96.5	Very high	91.5	Very high	31 Å²	31	48.9 Å²	48.9	12%	0.122	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.3	174.9	-53.4	-88.3	0	0	0	110.7	V62 W64 E139 I140 V142 V149 A150	V62-Y154 HydrophobicContact CB-CE2 4.17Å; V62-Y154 WeakPolarHBondContact CB-OH 3.47Å; V62-Y154 HydrophobicContact CG1-CE2 4.32Å; V62-Y154 HydrophobicContact CG2-CE2 3.88Å; V62-Y154 WeakPolarHBondContact CG2-OH 3.35Å; W64-Y154 HydrophobicContact CH2-CD2 4.27Å; W64-Y154 HydrophobicContact CH2-CG 4.12Å; W64-Y154 AromaticContact CZ2-CD1 3.86Å; W64-Y154 HydrophobicContact CZ2-CD1 3.86Å; W64-Y154 HydrophobicContact CZ2-CD2 4.02Å; W64-Y154 HydrophobicContact CZ2-CE1 4.49Å; W64-Y154 AromaticContact CZ2-CG 3.59Å; W64-Y154 HydrophobicContact CZ2-CG 3.59Å; E139-Y154 CarbonylContact C-O 3.47Å; E139-Y154 WeakPolarHBondContact CA-O 3.25Å; I140-Y154 PolarHBondContact N-O 3.49Å; I140-Y154 WeakPolarHBondContact O-CD2 3.5Å; I140-Y154 PolarHBondContact O-N 2.65Å; V142-Y154 HydrophobicContact CG2-CD2 4.46Å; V142-Y154 HydrophobicContact CG2-CE2 4.18Å; V149-Y154 HydrophobicContact CG2-CE2 4.41Å; A150-Y154 PolarHBondContact O-OH 3.1Å
155	Y	95.5	Very high	91.5	Very high	105 Å²	105	49.1 Å²	49.1	41%	0.412	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.3	175.7	-61.7	-78.3	0	0	0	110.9	R137 Y138 E139 P153	R137-Y155 HydrophobicContact CG-CD1 4.41Å; R137-Y155 VanDerWaalsContact NH2-CD2 3.29Å; Y138-Y155 VanDerWaalsContact O-CA 3.29Å; Y138-Y155 WeakPolarHBondContact O-CA 3.48Å; E139-Y155 HydrophobicContact CB-CD1 4.06Å; E139-Y155 HydrophobicContact CB-CE1 3.75Å; E139-Y155 HydrophobicContact CG-CD1 4.21Å; E139-Y155 HydrophobicContact CG-CE1 3.58Å; E139-Y155 VanDerWaalsContact OE1-CE1 3.25Å; E139-Y155 WeakPolarHBondContact OE1-CE1 3.39Å; E139-Y155 VanDerWaalsContact OE1-CZ 3.29Å; E139-Y155 PolarHBondContact OE1-OH 3.39Å; P153-Y155 HydrophobicContact CG-CE2 4.33Å
156	K	94.8	Very high	91.5	Very high	22 Å²	22	49.3 Å²	49.3	10%	0.096	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.1	179.7	-65.1	-64.4	-171.2	-173.4	0	109.8	W64 W66 D68 R137 Y138 I140 F158	W64-K156 HydrophobicContact CH2-CG 4.3Å; W64-K156 HydrophobicContact CZ3-CG 4.34Å; W66-K156 HydrophobicContact CZ2-CB 4.49Å; W66-K156 HydrophobicContact CZ2-CD 4.07Å; W66-K156 HydrophobicContact CZ2-CG 3.95Å; D68-K156 IonicContact OD1-NZ 3.67Å; D68-K156 WeakPolarHBondContact OD2-CD 3.39Å; D68-K156 IonicContact OD2-NZ 2.92Å; D68-K156 PolarHBondContact OD2-NZ 2.91Å; R137-K156 CarbonylContact C-O 3.59Å; R137-K156 WeakPolarHBondContact CA-O 3.49Å; Y138-K156 PolarHBondContact N-O 2.86Å; Y138-K156 PolarHBondContact O-N 3.19Å; I140-K156 HydrophobicContact CD1-CB 4.41Å; I140-K156 HydrophobicContact CD1-CG 3.89Å; K156-F158 HydrophobicContact CB-CE2 3.97Å; K156-F158 HydrophobicContact CB-CZ 4.38Å
157	I	94	Very high	91.5	Very high	103 Å²	103	48.5 Å²	48.5	53%	0.528	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.8	-179.7	-60.3	174.1	0	0	0	108.1	G136 R137	G136-I157 WeakPolarHBondContact O-CA 3.28Å; R137-I157 HydrophobicContact CB-CG1 4.47Å; R137-I157 HydrophobicContact CG-CG1 4.4Å
158	F	94.3	Very high	91.5	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.1	175.5	-65.2	-82.8	0	0	0	110.3	W66 Y70 V72 M76 F130 V132 A135 G136 Y138 K156	W66-F158 AromaticContact CZ2-CZ 3.91Å; W66-F158 HydrophobicContact CZ2-CZ 3.91Å; Y70-F158 CarbonylContact O-C 3.6Å; Y70-F158 VanDerWaalsContact O-CA 3.26Å; Y70-F158 WeakPolarHBondContact O-CA 3.47Å; V72-F158 HydrophobicContact CG1-CB 4.07Å; M76-F158 HydrophobicContact CE-CE1 3.96Å; M76-F158 HydrophobicContact CG-CE1 3.67Å; M76-F158 HydrophobicContact CG-CZ 3.9Å; M76-F158 HydrophobicContact SD-CE1 4.04Å; F130-F158 HydrophobicContact CE2-CE2 4.25Å; F130-F158 HydrophobicContact CE2-CZ 4.23Å; F130-F158 HydrophobicContact CZ-CE2 4.41Å; F130-F158 HydrophobicContact CZ-CZ 4.11Å; V132-F158 HydrophobicContact CB-CD1 4.33Å; V132-F158 HydrophobicContact CB-CE1 4.47Å; V132-F158 HydrophobicContact CB-CG 4.37Å; V132-F158 HydrophobicContact CG1-CB 3.73Å; V132-F158 HydrophobicContact CG1-CD1 3.86Å; V132-F158 HydrophobicContact CG1-CD2 3.7Å; V132-F158 HydrophobicContact CG1-CE1 4.4Å; V132-F158 HydrophobicContact CG1-CE2 4.26Å; V132-F158 HydrophobicContact CG1-CG 3.48Å; V132-F158 VanDerWaalsContact CG1-CG 3.48Å; V132-F158 HydrophobicContact CG2-CD1 4.22Å; V132-F158 HydrophobicContact CG2-CD2 4.09Å; V132-F158 HydrophobicContact CG2-CE1 3.92Å; V132-F158 HydrophobicContact CG2-CE2 3.77Å; V132-F158 HydrophobicContact CG2-CG 4.31Å; V132-F158 HydrophobicContact CG2-CZ 3.69Å; A135-F158 WeakPolarHBondContact CA-O 3.44Å; G136-F158 PolarHBondContact N-O 3.24Å; G136-F158 PolarHBondContact O-N 3.18Å; Y138-F158 AromaticContact CD2-CD2 3.56Å; Y138-F158 HydrophobicContact CD2-CD2 3.56Å; Y138-F158 HydrophobicContact CD2-CE2 4.09Å; Y138-F158 AromaticContact CE2-CD2 3.88Å; Y138-F158 HydrophobicContact CE2-CD2 3.88Å; Y138-F158 HydrophobicContact CG-CD2 4.04Å; Y138-F158 HydrophobicContact CG-CE2 4.09Å; K156-F158 HydrophobicContact CB-CE2 3.97Å; K156-F158 HydrophobicContact CB-CZ 4.38Å
159	Q	93.2	Very high	91.3	Very high	88 Å²	88	45 Å²	45	41%	0.411	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	147.7	-179.2	-71	-178.4	-37.8	0	0	110.8	P69 Y70 E71 V72	P69-Q159 HydrophobicContact CB-CG 4.21Å; Y70-Q159 PolarHBondContact O-N 3.03Å; E71-Q159 CarbonylContact C-O 3.55Å; E71-Q159 WeakPolarHBondContact CA-O 3.45Å; V72-Q159 WeakPolarHBondContact CG1-O 3.35Å; V72-Q159 PolarHBondContact N-O 2.92Å
160	P	92.2	Very high	91.2	Very high	20 Å²	20	45 Å²	45	13%	0.13	22%	0.221	C	C	.	.			trans	-64.5	156.3	174.2	31.2	-36.2	0	0	0	110.8	A135 N197 N201	A135-P160 HydrophobicContact CB-CB 3.87Å; A135-P160 HydrophobicContact CB-CG 4.41Å; P160-N197 HydrophobicContact CB-CB 3.9Å; P160-N201 PolarHBondContact O-ND2 2.97Å
161	G	89.8	Confident	91	Very high	10 Å²	10	46.2 Å²	46.2	10%	0.103	23%	0.225	C	C	.	.			trans	-75.1	-171.9	174.3	0	0	0	0	0	113.1	D193 T199	G161-D193 PolarHBondContact N-OD2 3.16Å; G161-T199 WeakPolarHBondContact O-CB 3.4Å; G161-T199 PolarHBondContact O-OG1 3.14Å
162	M	90	Very high	90.5	Very high	70 Å²	70	39.8 Å²	39.8	35%	0.345	21%	0.21	S	C	.	.			trans	-65.9	153.9	175.1	-62.9	-62.1	-67.6	0	0	112.2	V164 D193 N201 S202 M203	M162-V164 PolarHBondContact O-N 2.84Å; M162-D193 VanDerWaalsContact O-CA 3.27Å; M162-D193 WeakPolarHBondContact O-CA 3.49Å; M162-D193 WeakPolarHBondContact O-CB 3.26Å; M162-N201 HydrophobicContact SD-CB 3.85Å; M162-S202 VanDerWaalsContact CE-C 3.41Å; M162-M203 HydrophobicContact CE-CB 4.37Å; M162-M203 HydrophobicContact CE-CG 3.65Å; M162-M203 VanDerWaalsContact CE-N 3.32Å; M162-M203 HydrophobicContact CE-SD 3.61Å
163	V	90.6	Very high	90	Very high	15 Å²	15	40.1 Å²	40.1	9%	0.091	21%	0.21	C	C	.	.			trans	-57.3	128.6	170.8	176.3	0	0	0	0	110.5	T168 P191 R192 T199 N201 Y261	V163-T168 WeakPolarHBondContact CG1-OG1 3.34Å; V163-P191 HydrophobicContact CG1-CB 4.03Å; V163-P191 HydrophobicContact CG2-CB 3.72Å; V163-R192 CarbonylContact C-O 3.52Å; V163-R192 WeakPolarHBondContact CA-O 3.46Å; V163-T199 HydrophobicContact CB-CG2 4.34Å; V163-T199 HydrophobicContact CG2-CG2 3.68Å; V163-N201 WeakPolarHBondContact CG2-O 2.95Å; V163-N201 PolarHBondContact N-O 3.24Å; V163-Y261 HydrophobicContact CB-CE1 4.21Å; V163-Y261 HydrophobicContact CB-CE2 4.24Å; V163-Y261 HydrophobicContact CG1-CD1 4.3Å; V163-Y261 HydrophobicContact CG1-CD2 4.09Å; V163-Y261 HydrophobicContact CG1-CE1 4.03Å; V163-Y261 HydrophobicContact CG1-CE2 3.81Å; V163-Y261 HydrophobicContact CG1-CG 4.32Å
164	V	85.3	Confident	89.6	Confident	26 Å²	26	39.6 Å²	39.6	16%	0.158	20%	0.203	C	C	.	.			trans	-110.7	120.2	173.7	177.4	0	0	0	0	109	M162 S166 K167 T168 R192 E194	M162-V164 PolarHBondContact O-N 2.84Å; V164-S166 WeakPolarHBondContact CG1-OG 3.33Å; V164-S166 PolarHBondContact O-N 3.16Å; V164-K167 HydrophobicContact CB-CB 4.24Å; V164-K167 HydrophobicContact CB-CG 4.26Å; V164-K167 HydrophobicContact CG1-CB 4.37Å; V164-K167 HydrophobicContact CG1-CG 4.03Å; V164-K167 PolarHBondContact O-N 3.42Å; V164-K167 VanDerWaalsContact O-N 3.16Å; V164-T168 WeakPolarHBondContact O-CB 3.36Å; V164-T168 PolarHBondContact O-N 3.19Å; V164-T168 PolarHBondContact O-OG1 2.94Å; V164-R192 PolarHBondContact N-O 3.38Å; V164-E194 HydrophobicContact CG2-CB 4.25Å
165	P	89	Confident	89.3	Confident	14 Å²	14	39.7 Å²	39.7	9%	0.091	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-47.4	-177.7	-27.1	34.4	0	0	0	113.3	K167 T168 Y261 Q264 I266 N267	P165-K167 PolarHBondContact O-N 3.48Å; P165-K167 VanDerWaalsContact O-N 3.16Å; P165-T168 PolarHBondContact O-N 2.98Å; P165-T168 VanDerWaalsContact O-N 3.11Å; P165-T168 VanDerWaalsContact O-O 3.12Å; P165-Y261 HydrophobicContact CG-CD1 3.85Å; P165-Y261 HydrophobicContact CG-CG 4.39Å; P165-Q264 HydrophobicContact CB-CB 3.91Å; P165-Q264 HydrophobicContact CG-CB 3.92Å; P165-I266 VanDerWaalsContact O-CA 3.3Å; P165-I266 WeakPolarHBondContact O-CA 3.45Å; P165-N267 PolarHBondContact O-N 2.88Å; P165-N267 VanDerWaalsContact O-N 3.1Å
166	S	82.3	Confident	89.2	Confident	36 Å²	36	35.3 Å²	35.3	25%	0.252	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.5	-178.7	58.8	0	0	0	0	114.6	V164 N267	V164-S166 WeakPolarHBondContact CG1-OG 3.33Å; V164-S166 PolarHBondContact O-N 3.16Å; S166-N267 WeakPolarHBondContact O-CB 3.24Å
167	K	82.1	Confident	89.2	Confident	30 Å²	30	34.9 Å²	34.9	13%	0.13	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-22.2	172.8	-63.3	-63.1	-166.8	179	0	112.4	V164 P165 R192 H806 Q810	V164-K167 HydrophobicContact CB-CB 4.24Å; V164-K167 HydrophobicContact CB-CG 4.26Å; V164-K167 HydrophobicContact CG1-CB 4.37Å; V164-K167 HydrophobicContact CG1-CG 4.03Å; V164-K167 PolarHBondContact O-N 3.42Å; V164-K167 VanDerWaalsContact O-N 3.16Å; P165-K167 PolarHBondContact O-N 3.48Å; P165-K167 VanDerWaalsContact O-N 3.16Å; K167-R192 HydrophobicContact CB-CB 3.71Å; K167-R192 WeakPolarHBondContact O-CB 3.43Å; K167-R192 WeakPolarHBondContact O-CG 3.24Å; K167-H806 WeakPolarHBondContact CE-CE1 3.48Å; K167-H806 PolarHBondContact NZ-CE1 3.39Å; K167-H806 PolarHBondContact NZ-NE2 3.42Å; K167-Q810 VanDerWaalsContact NZ-NE2 3.11Å; K167-Q810 VanDerWaalsContact NZ-OE1 3.17Å
168	T	90.4	Very high	89.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.			trans	-74.1	131.9	177.2	-64.3	0	0	0	0	109.7	V163 V164 P165 I189 P191 R192 I266 N267	V163-T168 WeakPolarHBondContact CG1-OG1 3.34Å; V164-T168 WeakPolarHBondContact O-CB 3.36Å; V164-T168 PolarHBondContact O-N 3.19Å; V164-T168 PolarHBondContact O-OG1 2.94Å; P165-T168 PolarHBondContact O-N 2.98Å; P165-T168 VanDerWaalsContact O-N 3.11Å; P165-T168 VanDerWaalsContact O-O 3.12Å; T168-I189 HydrophobicContact CG2-CG2 3.44Å; T168-I189 VanDerWaalsContact CG2-CG2 3.44Å; T168-P191 HydrophobicContact CG2-CB 4.39Å; T168-R192 PolarHBondContact OG1-N 2.9Å; T168-I266 HydrophobicContact CG2-CB 4.38Å; T168-I266 HydrophobicContact CG2-CG2 4.14Å; T168-N267 WeakPolarHBondContact O-CA 3.4Å; T168-N267 WeakPolarHBondContact O-CB 3.33Å; T168-N267 PolarHBondContact O-N 3.46Å
169	K	86.5	Confident	89.5	Confident	84 Å²	84	32.1 Å²	32.1	37%	0.365	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.5	-173.5	64.9	-173.2	178.9	-172.3	0	113.3	I189 V190 N267	K169-I189 WeakPolarHBondContact O-CA 3.46Å; K169-V190 HydrophobicContact CG-CG2 3.63Å; K169-V190 PolarHBondContact N-O 3.29Å; K169-V190 WeakPolarHBondContact O-CG2 3.32Å; K169-V190 PolarHBondContact O-N 3.11Å; K169-N267 HydrophobicContact CB-CB 4.27Å
170	I	91.3	Very high	89.7	Confident	5 Å²	5	28.7 Å²	28.7	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.1	166.1	-52.1	174.4	0	0	0	108.6	L187 Q188 I189 I259 I266 N268 F271	I170-L187 HydrophobicContact CD1-CD1 4.48Å; I170-L187 HydrophobicContact CG2-CB 4.38Å; I170-L187 HydrophobicContact CG2-CD2 4.24Å; I170-Q188 WeakPolarHBondContact CA-O 3.32Å; I170-I189 HydrophobicContact CG1-CG1 4.24Å; I170-I259 HydrophobicContact CD1-CD1 3.87Å; I170-I266 HydrophobicContact CD1-CD1 4.47Å; I170-I266 HydrophobicContact CG1-CD1 3.9Å; I170-N268 WeakPolarHBondContact CB-OD1 3.17Å; I170-N268 WeakPolarHBondContact CD1-O 3.35Å; I170-N268 PolarHBondContact N-OD1 3.16Å; I170-N268 PolarHBondContact O-ND2 3.22Å; I170-F271 HydrophobicContact CD1-CD1 4.19Å; I170-F271 HydrophobicContact CD1-CE1 3.83Å
171	V	87.6	Confident	89.9	Confident	48 Å²	48	29.9 Å²	29.9	29%	0.291	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	142.4	175.3	-177.1	0	0	0	0	109.4	H173 Q188 V190	V171-H173 VanDerWaalsContact C-N 3.32Å; V171-H173 PolarHBondContact O-N 3.38Å; V171-Q188 HydrophobicContact CB-CB 4.44Å; V171-Q188 HydrophobicContact CB-CG 4.46Å; V171-Q188 HydrophobicContact CG2-CG 4.35Å; V171-Q188 PolarHBondContact N-O 2.89Å; V171-V190 HydrophobicContact CG2-CB 4.07Å; V171-V190 HydrophobicContact CG2-CG1 3.35Å; V171-V190 HydrophobicContact CG2-CG2 3.59Å
172	C	82.7	Confident	90.2	Very high	72 Å²	72	31.2 Å²	31.2	49%	0.486	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	48.4	-177.5	-60	0	0	0	0	112.3	G435	C172-G435 WeakPolarHBondContact CB-O 3.41Å
173	H	84.8	Confident	90.5	Very high	21 Å²	21	31.8 Å²	31.8	10%	0.097	19%	0.188	C	C	.	.			trans	-70.3	144.8	-175.5	175	-87.9	0	0	0	112.6	V171 S175 N268 E437	V171-H173 VanDerWaalsContact C-N 3.32Å; V171-H173 PolarHBondContact O-N 3.38Å; H173-S175 PolarHBondContact CE1-N 3.01Å; H173-N268 WeakPolarHBondContact CB-ND2 3.41Å; H173-N268 PolarHBondContact CD2-O 3.17Å; H173-N268 PolarHBondContact NE2-O 3.02Å; H173-E437 PolarHBondContact O-N 3.08Å
174	F	89	Confident	90.8	Very high	29 Å²	29	34.5 Å²	34.5	13%	0.127	21%	0.206	C	C	.	.			trans	-131.1	135.6	166.2	-66.4	-80.6	0	0	0	109.6	T176 L177 H430 I433 G435 E437	F174-T176 PolarHBondContact O-N 2.86Å; F174-L177 HydrophobicContact CB-CD2 4.07Å; F174-L177 HydrophobicContact CD2-CD2 4.28Å; F174-H430 AromaticContact CD1-CD2 3.35Å; F174-H430 WeakPolarHBondContact CD1-CD2 3.26Å; F174-H430 AromaticContact CD1-CE1 3.67Å; F174-H430 AromaticContact CD1-CG 3.84Å; F174-H430 AromaticContact CD1-NE2 3.25Å; F174-H430 VanDerWaalsContact CD1-NE2 3.25Å; F174-H430 WeakPolarHBondContact CD1-NE2 3.47Å; F174-H430 AromaticContact CD2-CE1 3.99Å; F174-H430 HydrophobicContact CE1-CB 3.92Å; F174-H430 AromaticContact CE1-CD2 3.38Å; F174-H430 WeakPolarHBondContact CE1-CD2 3.3Å; F174-H430 AromaticContact CE1-CG 3.47Å; F174-H430 VanDerWaalsContact CE1-CG 3.47Å; F174-H430 AromaticContact CE1-ND1 3.86Å; F174-H430 AromaticContact CE1-NE2 3.75Å; F174-H430 AromaticContact CG-CE1 3.62Å; F174-H430 AromaticContact CG-NE2 3.58Å; F174-H430 HydrophobicContact CZ-CB 4.05Å; F174-H430 AromaticContact CZ-CG 3.79Å; F174-H430 AromaticContact CZ-ND1 3.88Å; F174-I433 HydrophobicContact CD1-CD1 4.13Å; F174-I433 HydrophobicContact CE1-CD1 3.83Å; F174-I433 HydrophobicContact CE1-CG1 4.11Å; F174-G435 VanDerWaalsContact CE2-O 3.25Å; F174-G435 WeakPolarHBondContact CE2-O 3.47Å; F174-G435 VanDerWaalsContact CZ-CA 3.47Å; F174-G435 VanDerWaalsContact CZ-O 3.27Å; F174-G435 WeakPolarHBondContact CZ-O 3.31Å; F174-E437 HydrophobicContact CD1-CG 4.16Å
175	S	89.4	Confident	91.3	Very high	33 Å²	33	36.1 Å²	36.1	23%	0.231	21%	0.212	C	C	.	.	S	Bend	trans	-61.8	-22	174.4	59.7	0	0	0	0	113.7	H173 D272 E437	H173-S175 PolarHBondContact CE1-N 3.01Å; S175-D272 PolarHBondContact O-N 3.08Å; S175-E437 WeakPolarHBondContact CB-OE2 3.32Å; S175-E437 PolarHBondContact N-OE1 3.2Å; S175-E437 VanDerWaalsContact N-OE1 3.14Å; S175-E437 PolarHBondContact N-OE2 3.33Å; S175-E437 PolarHBondContact OG-OE1 3.48Å; S175-E437 PolarHBondContact OG-OE2 2.96Å
176	T	94	Very high	91.7	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.08	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.4	172.4	-55.7	0	0	0	0	111.2	F174 D272 I274 I426 H430	F174-T176 PolarHBondContact O-N 2.86Å; T176-D272 CarbonylContact C-O 3.59Å; T176-D272 VanDerWaalsContact CA-O 3.31Å; T176-D272 WeakPolarHBondContact CA-O 3.35Å; T176-D272 HydrophobicContact CG2-CB 4.2Å; T176-I274 HydrophobicContact CG2-CD1 4.01Å; T176-I274 HydrophobicContact CG2-CG1 3.91Å; T176-I426 HydrophobicContact CG2-CD1 4.28Å; T176-I426 HydrophobicContact CG2-CG1 4.08Å; T176-I426 HydrophobicContact CG2-CG2 4.24Å; T176-H430 PolarHBondContact O-CE1 2.79Å; T176-H430 PolarHBondContact O-NE2 3.02Å; T176-H430 VanDerWaalsContact O-NE2 3.16Å
177	L	95.2	Very high	92.3	Very high	14 Å²	14	37.3 Å²	37.3	7%	0.073	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	143.2	173.5	-61.1	177.7	0	0	0	110.9	F174 L179 L187 F271 D272 I273 I274	F174-L177 HydrophobicContact CB-CD2 4.07Å; F174-L177 HydrophobicContact CD2-CD2 4.28Å; L177-L179 HydrophobicContact CB-CD2 4.22Å; L177-L179 HydrophobicContact CB-CG 4.25Å; L177-L187 HydrophobicContact CD1-CD2 4.02Å; L177-F271 HydrophobicContact CD1-CD2 3.8Å; L177-F271 HydrophobicContact CD1-CE2 3.55Å; L177-F271 HydrophobicContact CD1-CZ 4.43Å; L177-F271 HydrophobicContact CG-CD2 4.11Å; L177-F271 HydrophobicContact CG-CE2 4.35Å; L177-D272 PolarHBondContact N-O 3.46Å; L177-I273 CarbonylContact O-C 3.51Å; L177-I273 WeakPolarHBondContact O-CA 3.47Å; L177-I274 PolarHBondContact O-N 3.2Å
178	V	96.4	Very high	92.9	Very high	32 Å²	32	38.7 Å²	38.7	19%	0.194	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	108.2	170	-179.3	0	0	0	0	108	I274 L276 A423 I426 R427	V178-I274 CarbonylContact C-O 3.48Å; V178-I274 WeakPolarHBondContact CA-O 3.42Å; V178-I274 HydrophobicContact CG2-CB 4.49Å; V178-I274 HydrophobicContact CG2-CD1 4.35Å; V178-L276 HydrophobicContact CG1-CD1 3.7Å; V178-L276 HydrophobicContact CG1-CG 4.27Å; V178-A423 HydrophobicContact CG1-CB 3.83Å; V178-A423 HydrophobicContact CG2-CB 4.11Å; V178-I426 HydrophobicContact CG2-CB 4Å; V178-I426 HydrophobicContact CG2-CG2 3.7Å; V178-R427 HydrophobicContact CB-CG 4.22Å; V178-R427 HydrophobicContact CG1-CG 4.26Å; V178-R427 HydrophobicContact CG2-CG 4.16Å
179	L	97.2	Very high	93.1	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.073	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	164.8	-176.1	-55.7	-171.9	0	0	0	111.1	L177 H185 L247 L249 I273 I274 V275 L276	L177-L179 HydrophobicContact CB-CD2 4.22Å; L177-L179 HydrophobicContact CB-CG 4.25Å; L179-H185 HydrophobicContact CD1-CB 3.93Å; L179-H185 HydrophobicContact CD2-CB 3.72Å; L179-H185 VanDerWaalsContact CD2-CG 3.46Å; L179-H185 WeakPolarHBondContact CD2-ND1 3.33Å; L179-H185 HydrophobicContact CG-CB 4.48Å; L179-L247 HydrophobicContact CD1-CD1 4.35Å; L179-L249 HydrophobicContact CD1-CD1 4.41Å; L179-I273 HydrophobicContact CB-CG2 4.26Å; L179-I273 HydrophobicContact CD1-CG2 3.59Å; L179-I273 HydrophobicContact CG-CG2 3.78Å; L179-I274 PolarHBondContact N-O 3.13Å; L179-V275 WeakPolarHBondContact O-CA 3.43Å; L179-L276 PolarHBondContact O-N 3.45Å
180	T	97.6	Very high	93.4	Very high	17 Å²	17	35.1 Å²	35.1	10%	0.104	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.5	174.7	-52.4	0	0	0	0	109.6	G182 Q183 L276 E278 K281	T180-G182 PolarHBondContact O-N 2.76Å; T180-Q183 HydrophobicContact CG2-CG 4.22Å; T180-Q183 PolarHBondContact O-N 3.12Å; T180-L276 CarbonylContact C-O 3.47Å; T180-L276 WeakPolarHBondContact CA-O 3.41Å; T180-E278 WeakPolarHBondContact CG2-OE2 3.25Å; T180-K281 HydrophobicContact CG2-CD 4.16Å; T180-K281 WeakPolarHBondContact OG1-CD 3.46Å
181	C	96.9	Very high	93.5	Very high	45 Å²	45	35.1 Å²	35.1	30%	0.304	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	129.1	-179.1	-172.2	0	0	0	0	111.2	Q183 H250 R252 V275 L276	C181-Q183 PolarHBondContact O-N 2.97Å; C181-H250 PolarHBondContact SG-O 2.89Å; C181-R252 HydrophobicContact CB-CG 4.42Å; C181-V275 HydrophobicContact CB-CG1 3.87Å; C181-L276 WeakPolarHBondContact CB-O 3.46Å; C181-L276 PolarHBondContact N-O 2.71Å
182	G	95.7	Very high	93.6	Very high	38 Å²	38	34.6 Å²	34.6	39%	0.392	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-2.3	-179.5	0	0	0	0	0	115.5	T180 L249	T180-G182 PolarHBondContact O-N 2.76Å; G182-L249 PolarHBondContact N-O 3.29Å
183	Q	97.1	Very high	93.8	Very high	81 Å²	81	31.2 Å²	31.2	38%	0.379	18%	0.179	S	C	.	.			trans	-91.6	130.9	175.8	-68.8	-178	2.3	0	0	110.7	T180 C181 H185 E278	T180-Q183 HydrophobicContact CG2-CG 4.22Å; T180-Q183 PolarHBondContact O-N 3.12Å; C181-Q183 PolarHBondContact O-N 2.97Å; Q183-H185 PolarHBondContact O-N 3.17Å; Q183-E278 PolarHBondContact NE2-OE2 3.39Å
184	P	97	Very high	93.7	Very high	73 Å²	73	32.9 Å²	32.9	47%	0.474	19%	0.187	S	C	.	.			trans	-71.5	132	179	27.9	-33.4	0	0	0	111	R246	P184-R246 HydrophobicContact CB-CG 3.93Å
185	H	96.2	Very high	93.2	Very high	59 Å²	59	35 Å²	35	27%	0.273	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.1	170.6	-172.8	74.6	0	0	0	109.7	L179 Q183 R246 L247	L179-H185 HydrophobicContact CD1-CB 3.93Å; L179-H185 HydrophobicContact CD2-CB 3.72Å; L179-H185 VanDerWaalsContact CD2-CG 3.46Å; L179-H185 WeakPolarHBondContact CD2-ND1 3.33Å; L179-H185 HydrophobicContact CG-CB 4.48Å; Q183-H185 PolarHBondContact O-N 3.17Å; H185-R246 CarbonylContact O-C 3.58Å; H185-R246 VanDerWaalsContact O-CA 3.25Å; H185-R246 WeakPolarHBondContact O-CA 3.47Å; H185-L247 HydrophobicContact CB-CD2 4.46Å; H185-L247 PolarHBondContact N-O 2.95Å; H185-L247 PolarHBondContact O-N 3.41Å
186	T	96.3	Very high	92.8	Very high	60 Å²	60	37 Å²	37	37%	0.368	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.9	-178.2	-55.4	0	0	0	0	110.2	F244 L245 R246	T186-F244 HydrophobicContact CG2-CB 3.93Å; T186-F244 HydrophobicContact CG2-CD1 4.1Å; T186-F244 HydrophobicContact CG2-CG 4.49Å; T186-L245 WeakPolarHBondContact CA-O 3.2Å; T186-R246 PolarHBondContact OG1-NE 3.23Å
187	L	95.7	Very high	92.6	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.5	172.5	-62.9	171.8	0	0	0	109.3	I170 L177 F244 L245 L247 I259 F271	I170-L187 HydrophobicContact CD1-CD1 4.48Å; I170-L187 HydrophobicContact CG2-CB 4.38Å; I170-L187 HydrophobicContact CG2-CD2 4.24Å; L177-L187 HydrophobicContact CD1-CD2 4.02Å; L187-F244 CarbonylContact O-C 3.51Å; L187-F244 WeakPolarHBondContact O-CA 3.48Å; L187-L245 PolarHBondContact N-O 2.86Å; L187-L245 PolarHBondContact O-N 2.78Å; L187-L247 HydrophobicContact CD1-CD2 3.7Å; L187-L247 HydrophobicContact CG-CD2 3.91Å; L187-I259 HydrophobicContact CD1-CD1 3.6Å; L187-F271 HydrophobicContact CD1-CE1 4.21Å; L187-F271 HydrophobicContact CD1-CE2 4.37Å; L187-F271 HydrophobicContact CD1-CZ 3.62Å
188	Q	94.4	Very high	92.4	Very high	59 Å²	59	38.7 Å²	38.7	28%	0.276	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.4	176.2	-177.8	-176.8	-29.7	0	0	109.3	I170 V171 Q242 F244	I170-Q188 WeakPolarHBondContact CA-O 3.32Å; V171-Q188 HydrophobicContact CB-CB 4.44Å; V171-Q188 HydrophobicContact CB-CG 4.46Å; V171-Q188 HydrophobicContact CG2-CG 4.35Å; V171-Q188 PolarHBondContact N-O 2.89Å; Q188-Q242 HydrophobicContact CG-CG 4.5Å; Q188-Q242 VanDerWaalsContact NE2-CD 3.29Å; Q188-F244 HydrophobicContact CB-CD1 4.32Å; Q188-F244 HydrophobicContact CB-CE1 4.25Å; Q188-F244 HydrophobicContact CG-CD1 4.31Å; Q188-F244 HydrophobicContact CG-CE1 3.89Å
189	I	94.7	Very high	92	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.4	177	-60.9	165.9	0	0	0	108.4	T168 K169 I170 Y211 V243 L245 I259 I266	T168-I189 HydrophobicContact CG2-CG2 3.44Å; T168-I189 VanDerWaalsContact CG2-CG2 3.44Å; K169-I189 WeakPolarHBondContact O-CA 3.46Å; I170-I189 HydrophobicContact CG1-CG1 4.24Å; I189-Y211 HydrophobicContact CD1-CD1 4.03Å; I189-Y211 HydrophobicContact CD1-CE1 4.11Å; I189-Y211 HydrophobicContact CG2-CE1 3.98Å; I189-V243 HydrophobicContact CB-CB 4.15Å; I189-V243 PolarHBondContact N-O 2.74Å; I189-V243 PolarHBondContact O-N 2.79Å; I189-L245 HydrophobicContact CD1-CB 4.01Å; I189-L245 HydrophobicContact CD1-CD1 4.23Å; I189-I259 HydrophobicContact CD1-CG2 4.11Å; I189-I266 HydrophobicContact CD1-CD1 4.18Å; I189-I266 HydrophobicContact CG1-CD1 4.21Å; I189-I266 HydrophobicContact CG2-CD1 4.23Å
190	V	91.8	Very high	91.4	Very high	10 Å²	10	39 Å²	39	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	101.1	176	-72.4	0	0	0	0	109.5	K169 V171 Q242	K169-V190 HydrophobicContact CG-CG2 3.63Å; K169-V190 PolarHBondContact N-O 3.29Å; K169-V190 WeakPolarHBondContact O-CG2 3.32Å; K169-V190 PolarHBondContact O-N 3.11Å; V171-V190 HydrophobicContact CG2-CB 4.07Å; V171-V190 HydrophobicContact CG2-CG1 3.35Å; V171-V190 HydrophobicContact CG2-CG2 3.59Å; V190-Q242 HydrophobicContact CG1-CG 4.15Å
191	P	93.6	Very high	90.7	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.026	22%	0.221	C	C	.	.			trans	-67.2	142.8	-179.4	-11.1	26	0	0	0	111.2	V163 T168 T199 Y211 F241 V243	V163-P191 HydrophobicContact CG1-CB 4.03Å; V163-P191 HydrophobicContact CG2-CB 3.72Å; T168-P191 HydrophobicContact CG2-CB 4.39Å; P191-T199 WeakPolarHBondContact CB-O 3.23Å; P191-T199 PolarHBondContact O-N 2.96Å; P191-Y211 WeakPolarHBondContact CG-OH 3.31Å; P191-F241 VanDerWaalsContact CD-O 3.23Å; P191-F241 WeakPolarHBondContact CD-O 3.48Å; P191-V243 HydrophobicContact CG-CG2 3.79Å
192	R	89.3	Confident	89.8	Confident	38 Å²	38	39.4 Å²	39.4	14%	0.143	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-133.9	146.9	-177.8	-67.1	-65.2	-179.5	-90.8	-1.5	110.8	V163 V164 K167 T168 D196 N197	V163-R192 CarbonylContact C-O 3.52Å; V163-R192 WeakPolarHBondContact CA-O 3.46Å; V164-R192 PolarHBondContact N-O 3.38Å; K167-R192 HydrophobicContact CB-CB 3.71Å; K167-R192 WeakPolarHBondContact O-CB 3.43Å; K167-R192 WeakPolarHBondContact O-CG 3.24Å; T168-R192 PolarHBondContact OG1-N 2.9Å; R192-D196 WeakPolarHBondContact CD-OD1 3.45Å; R192-D196 WeakPolarHBondContact CG-OD1 3.36Å; R192-D196 IonicContact NE-OD1 3.99Å; R192-D196 PolarHBondContact NE-OD1 3.17Å; R192-N197 WeakPolarHBondContact CA-O 3.49Å
193	D	88.1	Confident	88.4	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.232	C	C	.	.			trans	-82.9	-177.9	166.7	76.1	3.3	0	0	0	111.9	V72 G161 M162 Y195 D196 N197 T199	V72-D193 VanDerWaalsContact CG2-OD2 3.25Å; V72-D193 WeakPolarHBondContact CG2-OD2 3.31Å; G161-D193 PolarHBondContact N-OD2 3.16Å; M162-D193 VanDerWaalsContact O-CA 3.27Å; M162-D193 WeakPolarHBondContact O-CA 3.49Å; M162-D193 WeakPolarHBondContact O-CB 3.26Å; D193-Y195 PolarHBondContact O-N 3.33Å; D193-Y195 VanDerWaalsContact O-N 3.07Å; D193-Y195 WeakPolarHBondContact OD1-CA 3.48Å; D193-Y195 PolarHBondContact OD1-N 2.96Å; D193-D196 PolarHBondContact O-N 2.92Å; D193-D196 PolarHBondContact OD1-N 3.02Å; D193-D196 VanDerWaalsContact OD1-N 3.16Å; D193-N197 PolarHBondContact N-O 3.03Å; D193-N197 WeakPolarHBondContact OD1-CB 3.42Å; D193-N197 PolarHBondContact OD1-N 3.04Å; D193-N197 PolarHBondContact OD1-ND2 2.97Å; D193-N197 VanDerWaalsContact OD1-ND2 3.16Å; D193-N197 WeakPolarHBondContact OD2-CB 3.32Å; D193-N197 PolarHBondContact OD2-ND2 3.37Å; D193-T199 HydrophobicContact CB-CG2 4.21Å
194	E	81.4	Confident	86.9	Confident	56 Å²	56	43 Å²	43	26%	0.262	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.4	178.4	-172.8	61.5	-160.9	0	0	113.7	V164	V164-E194 HydrophobicContact CG2-CB 4.25Å
195	Y	80.1	Confident	85.3	Confident	73 Å²	73	47.3 Å²	47.3	29%	0.286	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	20.3	-174.3	-50	-71.2	0	0	0	113.2	V72 G73 R133 K134 D193 N197	V72-Y195 HydrophobicContact CB-CD2 4.39Å; V72-Y195 HydrophobicContact CG2-CD2 3.8Å; V72-Y195 HydrophobicContact CG2-CE2 4.33Å; G73-Y195 VanDerWaalsContact CA-OH 3.26Å; G73-Y195 WeakPolarHBondContact CA-OH 3.33Å; G73-Y195 PolarHBondContact O-OH 3.31Å; R133-Y195 HydrophobicContact CB-CD1 4.3Å; R133-Y195 HydrophobicContact CB-CG 4.35Å; R133-Y195 VanDerWaalsContact CD-CE1 3.48Å; R133-Y195 HydrophobicContact CG-CD1 4.39Å; R133-Y195 PolarHBondContact NH1-OH 3.37Å; R133-Y195 WeakPolarHBondContact O-CB 3.46Å; K134-Y195 PolarHBondContact NZ-O 3.46Å; D193-Y195 PolarHBondContact O-N 3.33Å; D193-Y195 VanDerWaalsContact O-N 3.07Å; D193-Y195 WeakPolarHBondContact OD1-CA 3.48Å; D193-Y195 PolarHBondContact OD1-N 2.96Å; Y195-N197 PolarHBondContact O-N 3.41Å
196	D	80.8	Confident	83.9	Confident	76 Å²	76	52.2 Å²	52.2	41%	0.406	26%	0.263	S	S	.	.	S	Bend	trans	60.3	29.2	-179.2	-170.4	45.6	0	0	0	113.3	R192 D193	R192-D196 WeakPolarHBondContact CD-OD1 3.45Å; R192-D196 WeakPolarHBondContact CG-OD1 3.36Å; R192-D196 IonicContact NE-OD1 3.99Å; R192-D196 PolarHBondContact NE-OD1 3.17Å; D193-D196 PolarHBondContact O-N 2.92Å; D193-D196 PolarHBondContact OD1-N 3.02Å; D193-D196 VanDerWaalsContact OD1-N 3.16Å
197	N	88.9	Confident	82.7	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	25%	0.251	C	S	.	.			trans	-82.3	139.1	168.8	-54.9	-67.4	0	0	0	110.1	R133 K134 A135 P160 R192 D193 Y195 T199	R133-N197 PolarHBondContact O-ND2 3.24Å; K134-N197 WeakPolarHBondContact CA-OD1 3.49Å; K134-N197 WeakPolarHBondContact CD-OD1 3.43Å; A135-N197 HydrophobicContact CB-CB 3.95Å; A135-N197 PolarHBondContact N-OD1 2.78Å; P160-N197 HydrophobicContact CB-CB 3.9Å; R192-N197 WeakPolarHBondContact CA-O 3.49Å; D193-N197 PolarHBondContact N-O 3.03Å; D193-N197 WeakPolarHBondContact OD1-CB 3.42Å; D193-N197 PolarHBondContact OD1-N 3.04Å; D193-N197 PolarHBondContact OD1-ND2 2.97Å; D193-N197 VanDerWaalsContact OD1-ND2 3.16Å; D193-N197 WeakPolarHBondContact OD2-CB 3.32Å; D193-N197 PolarHBondContact OD2-ND2 3.37Å; Y195-N197 PolarHBondContact O-N 3.41Å; N197-T199 PolarHBondContact O-N 3.38Å
198	P	90.5	Very high	81.5	Confident	55 Å²	55	54.4 Å²	54.4	36%	0.357	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-58.5	129.4	168	-20.8	32.6	0	0	0	110.4	F241	P198-F241 HydrophobicContact CB-CB 3.69Å; P198-F241 HydrophobicContact CB-CD1 4.4Å; P198-F241 HydrophobicContact CB-CD2 3.61Å; P198-F241 HydrophobicContact CB-CE2 4.32Å; P198-F241 HydrophobicContact CB-CG 3.65Å
199	T	89.4	Confident	80.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.285	C	S	.	.			trans	-141.9	151.8	-177.6	-170.1	0	0	0	0	111.5	G161 V163 P191 D193 N197 N201	G161-T199 WeakPolarHBondContact O-CB 3.4Å; G161-T199 PolarHBondContact O-OG1 3.14Å; V163-T199 HydrophobicContact CB-CG2 4.34Å; V163-T199 HydrophobicContact CG2-CG2 3.68Å; P191-T199 WeakPolarHBondContact CB-O 3.23Å; P191-T199 PolarHBondContact O-N 2.96Å; D193-T199 HydrophobicContact CB-CG2 4.21Å; N197-T199 PolarHBondContact O-N 3.38Å; T199-N201 WeakPolarHBondContact OG1-CB 3.37Å; T199-N201 PolarHBondContact OG1-N 3Å
200	N	84.1	Confident	80.5	Confident	53 Å²	53	58 Å²	58	28%	0.283	29%	0.286	S	S	.	.			trans	-119.6	8.2	166.2	62.4	2.3	0	0	0	110.9	S202 F241	N200-S202 PolarHBondContact O-N 3.34Å; N200-F241 HydrophobicContact CB-CD1 4.23Å
201	N	82.3	Confident	80.5	Confident	44 Å²	44	57.6 Å²	57.6	24%	0.235	28%	0.283	C	S	.	.			trans	-71.4	103	-178.4	-69.2	-13.4	0	0	0	108.8	P160 M162 V163 T199	P160-N201 PolarHBondContact O-ND2 2.97Å; M162-N201 HydrophobicContact SD-CB 3.85Å; V163-N201 WeakPolarHBondContact CG2-O 2.95Å; V163-N201 PolarHBondContact N-O 3.24Å; T199-N201 WeakPolarHBondContact OG1-CB 3.37Å; T199-N201 PolarHBondContact OG1-N 3Å
202	S	78.3	Confident	80.5	Confident	26 Å²	26	59.8 Å²	59.8	18%	0.182	30%	0.297	C	S	.	.			trans	-116.9	147.4	-177.3	153.5	0	0	0	0	109.5	M162 N200 S204 N210 Y261	M162-S202 VanDerWaalsContact CE-C 3.41Å; N200-S202 PolarHBondContact O-N 3.34Å; S202-S204 VanDerWaalsContact C-N 3.26Å; S202-S204 PolarHBondContact O-N 3.13Å; S202-S204 PolarHBondContact OG-N 3.23Å; S202-S204 PolarHBondContact OG-O 2.88Å; S202-N210 PolarHBondContact OG-ND2 2.96Å; S202-Y261 WeakPolarHBondContact CB-OH 3.35Å; S202-Y261 PolarHBondContact OG-OH 2.95Å
203	M	66.3	Low	80.8	Confident	149 Å²	149	58.7 Å²	58.7	73%	0.734	29%	0.293	S	S	*	.	S	Bend	trans	-65.5	-32.6	173.3	-68.3	-67.6	-69.7	0	0	111.9	M162	M162-M203 HydrophobicContact CE-CB 4.37Å; M162-M203 HydrophobicContact CE-CG 3.65Å; M162-M203 VanDerWaalsContact CE-N 3.32Å; M162-M203 HydrophobicContact CE-SD 3.61Å
204	S	66	Low	81	Confident	44 Å²	44	60.9 Å²	60.9	31%	0.308	31%	0.309	S	S	.	.	S	Bend	trans	-94.6	141	178.1	-55.9	0	0	0	0	110.9	S202 R206 N210	S202-S204 VanDerWaalsContact C-N 3.26Å; S202-S204 PolarHBondContact O-N 3.13Å; S202-S204 PolarHBondContact OG-N 3.23Å; S202-S204 PolarHBondContact OG-O 2.88Å; S204-R206 PolarHBondContact O-N 3.21Å; S204-N210 VanDerWaalsContact CB-OD1 3.27Å; S204-N210 WeakPolarHBondContact CB-OD1 3.36Å; S204-N210 PolarHBondContact OG-OD1 3Å
205	L	62.2	Low	81.7	Confident	165 Å²	165	58.8 Å²	58.8	86%	0.864	30%	0.299	S	S	*	.	S	Bend	trans	-62.3	-24.8	176.1	-75	162.1	0	0	0	113.6
206	R	67.4	Low	82.3	Confident	162 Å²	162	60.9 Å²	60.9	61%	0.611	31%	0.311	S	S	*	.			trans	-119.1	125.9	179.8	-64.3	-171.8	179	-161.8	1.1	110.5	S204 E208	S204-R206 PolarHBondContact O-N 3.21Å; R206-E208 VanDerWaalsContact C-N 3.28Å; R206-E208 PolarHBondContact O-N 3.07Å
207	D	70.9	Confident	82.9	Confident	20 Å²	20	61.5 Å²	61.5	11%	0.107	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-66.2	-30.9	-178.9	-65.5	-42.3	0	0	0	112.6	H209 N210 Y211 S236	D207-H209 PolarHBondContact O-N 3.13Å; D207-H209 VanDerWaalsContact O-N 3.09Å; D207-N210 PolarHBondContact O-N 3.03Å; D207-Y211 WeakPolarHBondContact O-CD2 3.48Å; D207-S236 WeakPolarHBondContact OD2-CB 3.34Å; D207-S236 PolarHBondContact OD2-OG 2.79Å; D207-S236 VanDerWaalsContact OD2-OG 3.12Å
208	E	70.9	Confident	82.9	Confident	101 Å²	101	63.2 Å²	63.2	47%	0.472	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-51.8	-34.1	179.6	-70.7	175	180	0	0	114.2	R206 V234	R206-E208 VanDerWaalsContact C-N 3.28Å; R206-E208 PolarHBondContact O-N 3.07Å; E208-V234 HydrophobicContact CG-CB 4.19Å; E208-V234 VanDerWaalsContact CG-O 3.29Å; E208-V234 WeakPolarHBondContact CG-O 3.12Å
209	H	81	Confident	82.4	Confident	132 Å²	132	61.7 Å²	61.7	61%	0.611	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-85.2	-15.9	-176.9	-61.2	-47.4	0	0	0	113.5	D207	D207-H209 PolarHBondContact O-N 3.13Å; D207-H209 VanDerWaalsContact O-N 3.09Å
210	N	87.2	Confident	81.3	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.011	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-31.2	178.9	-59	-51	0	0	0	111.9	S202 S204 D207 Y261 Q262	S202-N210 PolarHBondContact OG-ND2 2.96Å; S204-N210 VanDerWaalsContact CB-OD1 3.27Å; S204-N210 WeakPolarHBondContact CB-OD1 3.36Å; S204-N210 PolarHBondContact OG-OD1 3Å; D207-N210 PolarHBondContact O-N 3.03Å; N210-Y261 HydrophobicContact CB-CD2 3.65Å; N210-Y261 HydrophobicContact CB-CE2 3.32Å; N210-Y261 HydrophobicContact CB-CG 4.4Å; N210-Y261 CarbonylContact O-C 2.87Å; N210-Y261 VanDerWaalsContact O-CA 3.27Å; N210-Y261 WeakPolarHBondContact O-CA 3.35Å; N210-Q262 HydrophobicContact CB-CG 4.34Å; N210-Q262 PolarHBondContact O-N 3.39Å; N210-Q262 PolarHBondContact OD1-NE2 2.96Å
211	Y	92.3	Very high	79.9	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.008	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.4	-176	-66.2	-82.2	0	0	0	112.1	I189 P191 D207 K232 V234 V243 S260 Y261	I189-Y211 HydrophobicContact CD1-CD1 4.03Å; I189-Y211 HydrophobicContact CD1-CE1 4.11Å; I189-Y211 HydrophobicContact CG2-CE1 3.98Å; P191-Y211 WeakPolarHBondContact CG-OH 3.31Å; D207-Y211 WeakPolarHBondContact O-CD2 3.48Å; Y211-K232 PolarHBondContact O-NZ 3.07Å; Y211-V234 HydrophobicContact CD2-CG1 3.99Å; Y211-V243 HydrophobicContact CD2-CG1 4.05Å; Y211-V243 HydrophobicContact CE2-CB 4.31Å; Y211-V243 HydrophobicContact CE2-CG1 3.77Å; Y211-V243 HydrophobicContact CE2-CG2 3.94Å; Y211-S260 CarbonylContact C-O 3.53Å; Y211-S260 WeakPolarHBondContact CA-O 3.29Å; Y211-Y261 HydrophobicContact CD1-CD2 4.2Å; Y211-Y261 HydrophobicContact CD2-CD2 4.45Å; Y211-Y261 AromaticContact CE1-CD2 3.73Å; Y211-Y261 HydrophobicContact CE1-CD2 3.73Å; Y211-Y261 HydrophobicContact CE2-CD2 4Å; Y211-Y261 HydrophobicContact CE2-CE2 4.17Å; Y211-Y261 AromaticContact CZ-CD2 3.62Å
212	T	93.1	Very high	78.4	Confident	50 Å²	50	75.3 Å²	75.3	31%	0.307	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	145.5	173.4	53.7	0	0	0	0	110.5	I259 S260	T212-I259 WeakPolarHBondContact O-CA 3.42Å; T212-S260 PolarHBondContact N-O 2.88Å; T212-S260 PolarHBondContact O-N 3.34Å; T212-S260 WeakPolarHBondContact OG1-CB 3.45Å
213	L	94.8	Very high	77.1	Confident	14 Å²	14	84 Å²	84	7%	0.073	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.8	176.1	172.5	65.8	0	0	0	106.3	I215 F230 K232 L245 L247 A257 C258 I259	L213-I215 HydrophobicContact CD1-CG1 4.16Å; L213-I215 HydrophobicContact CD2-CD1 4.02Å; L213-I215 HydrophobicContact CD2-CG1 4.36Å; L213-I215 HydrophobicContact CG-CD1 4.22Å; L213-I215 HydrophobicContact CG-CG1 3.99Å; L213-F230 HydrophobicContact CB-CE2 4.4Å; L213-F230 HydrophobicContact CD2-CD2 4.05Å; L213-F230 HydrophobicContact CD2-CE2 3.84Å; L213-F230 HydrophobicContact CG-CE2 4.08Å; L213-F230 WeakPolarHBondContact O-CZ 3.49Å; L213-K232 HydrophobicContact CB-CD 4.09Å; L213-K232 HydrophobicContact CD2-CB 4.32Å; L213-L245 HydrophobicContact CD2-CD2 4.26Å; L213-L247 HydrophobicContact CD2-CB 3.95Å; L213-L247 HydrophobicContact CD2-CD1 4.36Å; L213-A257 HydrophobicContact CD1-CB 4.24Å; L213-C258 WeakPolarHBondContact CA-O 3.14Å; L213-I259 HydrophobicContact CD1-CG1 3.75Å
214	S	94.3	Very high	76.3	Confident	48 Å²	48	85 Å²	85	34%	0.336	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.3	170	54.1	0	0	0	0	109	A257 C258	S214-A257 VanDerWaalsContact O-CA 3.32Å; S214-A257 WeakPolarHBondContact O-CA 3.35Å; S214-C258 PolarHBondContact N-O 3.09Å; S214-C258 PolarHBondContact O-N 3.36Å; S214-C258 PolarHBondContact OG-O 3.29Å
215	I	95.2	Very high	75.7	Confident	11 Å²	11	86.9 Å²	86.9	6%	0.056	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.3	178.9	-54.5	-174.5	0	0	0	108.5	L213 V228 F230 L249 F255 H256 A257	L213-I215 HydrophobicContact CD1-CG1 4.16Å; L213-I215 HydrophobicContact CD2-CD1 4.02Å; L213-I215 HydrophobicContact CD2-CG1 4.36Å; L213-I215 HydrophobicContact CG-CD1 4.22Å; L213-I215 HydrophobicContact CG-CG1 3.99Å; I215-V228 HydrophobicContact CB-CG1 4.42Å; I215-V228 HydrophobicContact CG2-CB 4.33Å; I215-V228 HydrophobicContact CG2-CG1 3.93Å; I215-V228 HydrophobicContact CG2-CG2 4.33Å; I215-F230 HydrophobicContact CB-CD1 4.22Å; I215-F230 HydrophobicContact CB-CE1 4.14Å; I215-F230 HydrophobicContact CD1-CB 4.15Å; I215-F230 HydrophobicContact CD1-CD1 3.87Å; I215-F230 HydrophobicContact CD1-CD2 4Å; I215-F230 HydrophobicContact CD1-CE1 4.25Å; I215-F230 HydrophobicContact CD1-CE2 4.37Å; I215-F230 HydrophobicContact CD1-CG 3.74Å; I215-F230 HydrophobicContact CD1-CZ 4.49Å; I215-F230 HydrophobicContact CG1-CD1 4.19Å; I215-F230 HydrophobicContact CG1-CE1 4.11Å; I215-F230 HydrophobicContact CG1-CG 4.48Å; I215-F230 HydrophobicContact CG1-CZ 4.32Å; I215-L249 HydrophobicContact CD1-CD1 4.03Å; I215-L249 HydrophobicContact CD1-CD2 4.21Å; I215-L249 HydrophobicContact CD1-CG 4.21Å; I215-L249 HydrophobicContact CG2-CD2 4.28Å; I215-F255 HydrophobicContact CG2-CB 3.62Å; I215-F255 HydrophobicContact CG2-CD1 4.09Å; I215-F255 HydrophobicContact CG2-CG 4.07Å; I215-H256 CarbonylContact C-O 3.54Å; I215-H256 WeakPolarHBondContact CA-O 3.27Å; I215-A257 HydrophobicContact CG1-CB 4.27Å
216	H	92.6	Very high	75.4	Confident	117 Å²	117	85 Å²	85	54%	0.542	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.8	177.1	-57.3	-77.2	0	0	0	109.6	F255 H256	H216-F255 CarbonylContact O-C 3.54Å; H216-F255 WeakPolarHBondContact O-CA 3.21Å; H216-F255 WeakPolarHBondContact O-CB 3.42Å; H216-H256 PolarHBondContact N-O 2.81Å; H216-H256 PolarHBondContact O-N 2.73Å
217	E	92.4	Very high	75.7	Confident	89 Å²	89	80.3 Å²	80.3	42%	0.416	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.9	177.9	-170.7	169.7	-176.3	0	0	111.4	F255	E217-F255 HydrophobicContact CB-CD1 4.1Å; E217-F255 HydrophobicContact CB-CE1 4.21Å; E217-F255 HydrophobicContact CG-CD1 4.3Å; E217-F255 HydrophobicContact CG-CE1 4.13Å
218	L	90.3	Very high	76.4	Confident	43 Å²	43	80.5 Å²	80.5	23%	0.225	43%	0.432	C	S	.	.	S	Bend	trans	-101.9	123.6	177	-70.4	171.3	0	0	0	110.6	C254 H256 D272 Y389	L218-C254 HydrophobicContact CB-CB 4.17Å; L218-C254 PolarHBondContact N-O 3.17Å; L218-H256 HydrophobicContact CD1-CB 4.01Å; L218-H256 HydrophobicContact CD2-CB 3.9Å; L218-H256 HydrophobicContact CG-CB 3.9Å; L218-D272 HydrophobicContact CD1-CB 4.27Å; L218-Y389 HydrophobicContact CB-CD2 4.48Å; L218-Y389 HydrophobicContact CD1-CD2 3.96Å
219	G	79.4	Confident	77.2	Confident	23 Å²	23	78.8 Å²	78.8	24%	0.237	43%	0.431	C	S	.	.	S	Bend	trans	123.4	-100.6	176.3	0	0	0	0	0	112.3	Q221	G219-Q221 PolarHBondContact O-N 3.42Å; G219-Q221 VanDerWaalsContact O-N 3.13Å
220	P	66.9	Low	77.8	Confident	40 Å²	40	75.4 Å²	75.4	26%	0.26	42%	0.415	S	S	.	.			trans	-70.2	107.6	-177.5	27.8	-30.7	0	0	0	111	E222	P220-E222 PolarHBondContact O-N 2.85Å; P220-E222 VanDerWaalsContact O-N 3.11Å
221	Q	53.6	Low	78.2	Confident	195 Å²	195	81 Å²	81	91%	0.911	44%	0.441	S	S	*	.			trans	-77.6	79.9	158.8	-69.4	-171.6	-14.5	0	0	107.7	G219	G219-Q221 PolarHBondContact O-N 3.42Å; G219-Q221 VanDerWaalsContact O-N 3.13Å
222	E	51.7	Low	78.3	Confident	148 Å²	148	85.2 Å²	85.2	69%	0.692	46%	0.459	S	S	*	.			trans	-70.1	135.8	159.2	-70.8	-174.1	177.8	0	0	107.8	P220 E224 S225	P220-E222 PolarHBondContact O-N 2.85Å; P220-E222 VanDerWaalsContact O-N 3.11Å; E222-E224 PolarHBondContact O-N 3.28Å; E222-S225 PolarHBondContact O-N 2.92Å
223	E	51.6	Low	78.3	Confident	209 Å²	209	85.7 Å²	85.7	98%	0.977	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.4	179.5	-68.4	-180	165	0	0	112.5
224	E	47.9	Very low	78.2	Confident	170 Å²	170	85.4 Å²	85.4	79%	0.794	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	63.2	174.5	-65.7	-174.8	168.2	0	0	111.3	E222 T226	E222-E224 PolarHBondContact O-N 3.28Å; E224-T226 PolarHBondContact O-N 2.9Å
225	S	53.6	Low	78.1	Confident	84 Å²	84	87.4 Å²	87.4	59%	0.587	47%	0.474	S	S	*	.			trans	-58.8	98.8	166.6	173	0	0	0	0	109.6	E222 G227	E222-S225 PolarHBondContact O-N 2.92Å; S225-G227 PolarHBondContact O-N 3.41Å; S225-G227 VanDerWaalsContact O-N 3.15Å
226	T	56.1	Low	77.8	Confident	125 Å²	125	89.1 Å²	89.1	77%	0.767	49%	0.487	S	S	*	.			trans	-60.3	115.9	160.9	52.8	0	0	0	0	106.5	E224 V228	E224-T226 PolarHBondContact O-N 2.9Å; T226-V228 PolarHBondContact O-N 3.36Å
227	G	74.1	Confident	77.5	Confident	63 Å²	63	86.3 Å²	86.3	65%	0.649	48%	0.476	S	S	*	.			trans	-47.5	142.7	-175	0	0	0	0	0	112.9	S225 S229	S225-G227 PolarHBondContact O-N 3.41Å; S225-G227 VanDerWaalsContact O-N 3.15Å; G227-S229 PolarHBondContact O-N 3.41Å
228	V	84.4	Confident	76.9	Confident	24 Å²	24	89.3 Å²	89.3	15%	0.145	48%	0.484	C	S	.	.			trans	-59.8	123.6	-176.7	-177.4	0	0	0	0	110	I215 T226 F230 L249 F255	I215-V228 HydrophobicContact CB-CG1 4.42Å; I215-V228 HydrophobicContact CG2-CB 4.33Å; I215-V228 HydrophobicContact CG2-CG1 3.93Å; I215-V228 HydrophobicContact CG2-CG2 4.33Å; T226-V228 PolarHBondContact O-N 3.36Å; V228-F230 HydrophobicContact CB-CD1 4.45Å; V228-F230 HydrophobicContact CG1-CD1 4.36Å; V228-F230 VanDerWaalsContact O-CD1 3.3Å; V228-F230 WeakPolarHBondContact O-CD1 3.36Å; V228-F230 PolarHBondContact O-N 2.98Å; V228-L249 HydrophobicContact CG1-CD2 4.32Å; V228-F255 HydrophobicContact CG1-CD1 3.94Å; V228-F255 HydrophobicContact CG1-CE1 3.8Å; V228-F255 HydrophobicContact CG2-CD1 3.93Å; V228-F255 HydrophobicContact CG2-CE1 4.03Å
229	S	89.2	Confident	76.6	Confident	65 Å²	65	95.7 Å²	95.7	46%	0.455	51%	0.512	S	S	.	.			trans	-80.2	108.7	176.4	-179.4	0	0	0	0	110.9	G227 H250	G227-S229 PolarHBondContact O-N 3.41Å; S229-H250 PolarHBondContact O-N 3.28Å; S229-H250 VanDerWaalsContact O-N 3.11Å
230	F	94.1	Very high	76.9	Confident	61 Å²	61	97.5 Å²	97.5	27%	0.268	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.2	175.7	71.6	-87.6	0	0	0	112.3	L213 I215 V228 K232 T248 L249	L213-F230 HydrophobicContact CB-CE2 4.4Å; L213-F230 HydrophobicContact CD2-CD2 4.05Å; L213-F230 HydrophobicContact CD2-CE2 3.84Å; L213-F230 HydrophobicContact CG-CE2 4.08Å; L213-F230 WeakPolarHBondContact O-CZ 3.49Å; I215-F230 HydrophobicContact CB-CD1 4.22Å; I215-F230 HydrophobicContact CB-CE1 4.14Å; I215-F230 HydrophobicContact CD1-CB 4.15Å; I215-F230 HydrophobicContact CD1-CD1 3.87Å; I215-F230 HydrophobicContact CD1-CD2 4Å; I215-F230 HydrophobicContact CD1-CE1 4.25Å; I215-F230 HydrophobicContact CD1-CE2 4.37Å; I215-F230 HydrophobicContact CD1-CG 3.74Å; I215-F230 HydrophobicContact CD1-CZ 4.49Å; I215-F230 HydrophobicContact CG1-CD1 4.19Å; I215-F230 HydrophobicContact CG1-CE1 4.11Å; I215-F230 HydrophobicContact CG1-CG 4.48Å; I215-F230 HydrophobicContact CG1-CZ 4.32Å; V228-F230 HydrophobicContact CB-CD1 4.45Å; V228-F230 HydrophobicContact CG1-CD1 4.36Å; V228-F230 VanDerWaalsContact O-CD1 3.3Å; V228-F230 WeakPolarHBondContact O-CD1 3.36Å; V228-F230 PolarHBondContact O-N 2.98Å; F230-K232 HydrophobicContact CE2-CB 4.46Å; F230-T248 CarbonylContact C-O 3.57Å; F230-T248 WeakPolarHBondContact CA-O 3.3Å; F230-T248 WeakPolarHBondContact CB-O 3.45Å; F230-L249 HydrophobicContact CB-CG 4.18Å
231	E	94.2	Very high	77.9	Confident	120 Å²	120	98.9 Å²	98.9	56%	0.561	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.9	169.2	-65.9	176.2	177.9	0	0	109.8	L247 T248 H250	E231-L247 CarbonylContact O-C 3.59Å; E231-L247 VanDerWaalsContact O-CA 3.29Å; E231-L247 WeakPolarHBondContact O-CA 3.49Å; E231-T248 PolarHBondContact N-O 3.2Å; E231-T248 PolarHBondContact O-N 3.1Å; E231-H250 IonicContact OE1-NE2 3.42Å
232	K	94	Very high	79.7	Confident	90 Å²	90	92 Å²	92	39%	0.391	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.4	169.2	73.1	169.2	-168.1	164.7	0	111.1	Y211 L213 F230 R246	Y211-K232 PolarHBondContact O-NZ 3.07Å; L213-K232 HydrophobicContact CB-CD 4.09Å; L213-K232 HydrophobicContact CD2-CB 4.32Å; F230-K232 HydrophobicContact CE2-CB 4.46Å; K232-R246 CarbonylContact C-O 3.59Å; K232-R246 VanDerWaalsContact CA-O 3.27Å; K232-R246 WeakPolarHBondContact CA-O 3.5Å
233	S	93.9	Very high	81.6	Confident	61 Å²	61	85.1 Å²	85.1	43%	0.427	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.7	166	65.9	0	0	0	0	110.6	L245 R246	S233-L245 CarbonylContact O-C 3.16Å; S233-L245 WeakPolarHBondContact O-CA 3.45Å; S233-R246 PolarHBondContact N-O 2.74Å; S233-R246 PolarHBondContact O-N 3.35Å
234	V	93.5	Very high	83.7	Confident	7 Å²	7	78.1 Å²	78.1	4%	0.042	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.2	-173.5	178.8	0	0	0	0	108.9	E208 Y211 V243 F244 L245	E208-V234 HydrophobicContact CG-CB 4.19Å; E208-V234 VanDerWaalsContact CG-O 3.29Å; E208-V234 WeakPolarHBondContact CG-O 3.12Å; Y211-V234 HydrophobicContact CD2-CG1 3.99Å; V234-V243 HydrophobicContact CG1-CG1 3.52Å; V234-F244 CarbonylContact C-O 3.23Å; V234-F244 WeakPolarHBondContact CA-O 3.37Å; V234-L245 HydrophobicContact CG2-CD1 4.32Å; V234-L245 HydrophobicContact CG2-CG 4.19Å
235	T	91.4	Very high	85.9	Confident	90 Å²	90	70 Å²	70	55%	0.552	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.6	179.2	-54.6	0	0	0	0	110.1	V243 F244	T235-V243 CarbonylContact O-C 3.43Å; T235-F244 PolarHBondContact N-O 2.74Å; T235-F244 PolarHBondContact O-N 2.95Å
236	S	88.1	Confident	88	Confident	47 Å²	47	72 Å²	72	33%	0.329	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.6	178.7	64.1	0	0	0	0	112.4	D207 Q242	D207-S236 WeakPolarHBondContact OD2-CB 3.34Å; D207-S236 PolarHBondContact OD2-OG 2.79Å; D207-S236 VanDerWaalsContact OD2-OG 3.12Å; S236-Q242 CarbonylContact C-O 3.6Å
237	N	86.9	Confident	89.9	Confident	58 Å²	58	66 Å²	66	31%	0.31	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	105.1	162.5	-174.5	-18.2	0	0	0	109.7	Q239 T240 F241 Q242 F244	N237-Q239 VanDerWaalsContact C-N 3.29Å; N237-Q239 PolarHBondContact O-N 3.08Å; N237-Q239 WeakPolarHBondContact OD1-CB 3.27Å; N237-Q239 PolarHBondContact OD1-N 3.24Å; N237-T240 WeakPolarHBondContact CB-OG1 3.42Å; N237-T240 PolarHBondContact ND2-OG1 2.75Å; N237-T240 PolarHBondContact O-N 2.84Å; N237-T240 PolarHBondContact OD1-N 2.99Å; N237-F241 PolarHBondContact O-N 3.32Å; N237-F241 VanDerWaalsContact O-N 3.11Å; N237-Q242 PolarHBondContact N-O 3.4Å; N237-Q242 PolarHBondContact O-N 2.94Å; N237-F244 HydrophobicContact CB-CE2 4.18Å
238	R	80.8	Confident	91	Very high	153 Å²	153	63.7 Å²	63.7	58%	0.577	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.3	-178.5	-68.4	-172.3	176.5	-170.2	-2	114
239	Q	82.6	Confident	91.6	Very high	176 Å²	176	62.8 Å²	62.8	82%	0.822	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-36	179.5	-66.4	-179.5	-9	0	0	111.8	N237	N237-Q239 VanDerWaalsContact C-N 3.29Å; N237-Q239 PolarHBondContact O-N 3.08Å; N237-Q239 WeakPolarHBondContact OD1-CB 3.27Å; N237-Q239 PolarHBondContact OD1-N 3.24Å
240	T	85.2	Confident	91.8	Very high	62 Å²	62	63.2 Å²	63.2	38%	0.38	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-1.1	-178.1	58.9	0	0	0	0	113.5	N237 Q242	N237-T240 WeakPolarHBondContact CB-OG1 3.42Å; N237-T240 PolarHBondContact ND2-OG1 2.75Å; N237-T240 PolarHBondContact O-N 2.84Å; N237-T240 PolarHBondContact OD1-N 2.99Å; T240-Q242 VanDerWaalsContact C-N 3.28Å; T240-Q242 PolarHBondContact O-N 3Å; T240-Q242 WeakPolarHBondContact OG1-CB 3.39Å; T240-Q242 VanDerWaalsContact OG1-CD 3.3Å; T240-Q242 PolarHBondContact OG1-OE1 2.87Å
241	F	88.5	Confident	91.8	Very high	69 Å²	69	62.8 Å²	62.8	30%	0.303	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	48	-173	-52.3	-80.7	0	0	0	111.7	P191 P198 N200 N237	P191-F241 VanDerWaalsContact CD-O 3.23Å; P191-F241 WeakPolarHBondContact CD-O 3.48Å; P198-F241 HydrophobicContact CB-CB 3.69Å; P198-F241 HydrophobicContact CB-CD1 4.4Å; P198-F241 HydrophobicContact CB-CD2 3.61Å; P198-F241 HydrophobicContact CB-CE2 4.32Å; P198-F241 HydrophobicContact CB-CG 3.65Å; N200-F241 HydrophobicContact CB-CD1 4.23Å; N237-F241 PolarHBondContact O-N 3.32Å; N237-F241 VanDerWaalsContact O-N 3.11Å
242	Q	91.1	Very high	91.7	Very high	50 Å²	50	63.6 Å²	63.6	23%	0.234	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.7	-177.9	-72.9	165.8	-11.1	0	0	110.3	Q188 V190 S236 N237 T240 F244	Q188-Q242 HydrophobicContact CG-CG 4.5Å; Q188-Q242 VanDerWaalsContact NE2-CD 3.29Å; V190-Q242 HydrophobicContact CG1-CG 4.15Å; S236-Q242 CarbonylContact C-O 3.6Å; N237-Q242 PolarHBondContact N-O 3.4Å; N237-Q242 PolarHBondContact O-N 2.94Å; T240-Q242 VanDerWaalsContact C-N 3.28Å; T240-Q242 PolarHBondContact O-N 3Å; T240-Q242 WeakPolarHBondContact OG1-CB 3.39Å; T240-Q242 VanDerWaalsContact OG1-CD 3.3Å; T240-Q242 PolarHBondContact OG1-OE1 2.87Å; Q242-F244 HydrophobicContact CB-CE2 4.01Å; Q242-F244 HydrophobicContact CB-CZ 4.09Å
243	V	93	Very high	91.7	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.9	172.5	174.7	0	0	0	0	107.6	I189 P191 Y211 V234 T235	I189-V243 HydrophobicContact CB-CB 4.15Å; I189-V243 PolarHBondContact N-O 2.74Å; I189-V243 PolarHBondContact O-N 2.79Å; P191-V243 HydrophobicContact CG-CG2 3.79Å; Y211-V243 HydrophobicContact CD2-CG1 4.05Å; Y211-V243 HydrophobicContact CE2-CB 4.31Å; Y211-V243 HydrophobicContact CE2-CG1 3.77Å; Y211-V243 HydrophobicContact CE2-CG2 3.94Å; V234-V243 HydrophobicContact CG1-CG1 3.52Å; T235-V243 CarbonylContact O-C 3.43Å
244	F	94.4	Very high	91.8	Very high	61 Å²	61	56.8 Å²	56.8	27%	0.268	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	110.7	178.4	-61.9	-81.3	0	0	0	108.1	T186 L187 Q188 V234 T235 N237 Q242	T186-F244 HydrophobicContact CG2-CB 3.93Å; T186-F244 HydrophobicContact CG2-CD1 4.1Å; T186-F244 HydrophobicContact CG2-CG 4.49Å; L187-F244 CarbonylContact O-C 3.51Å; L187-F244 WeakPolarHBondContact O-CA 3.48Å; Q188-F244 HydrophobicContact CB-CD1 4.32Å; Q188-F244 HydrophobicContact CB-CE1 4.25Å; Q188-F244 HydrophobicContact CG-CD1 4.31Å; Q188-F244 HydrophobicContact CG-CE1 3.89Å; V234-F244 CarbonylContact C-O 3.23Å; V234-F244 WeakPolarHBondContact CA-O 3.37Å; T235-F244 PolarHBondContact N-O 2.74Å; T235-F244 PolarHBondContact O-N 2.95Å; N237-F244 HydrophobicContact CB-CE2 4.18Å; Q242-F244 HydrophobicContact CB-CE2 4.01Å; Q242-F244 HydrophobicContact CB-CZ 4.09Å
245	L	95.6	Very high	91.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	109.6	173.4	-172.4	155	0	0	0	108	T186 L187 I189 L213 S233 V234 L247 I259	T186-L245 WeakPolarHBondContact CA-O 3.2Å; L187-L245 PolarHBondContact N-O 2.86Å; L187-L245 PolarHBondContact O-N 2.78Å; I189-L245 HydrophobicContact CD1-CB 4.01Å; I189-L245 HydrophobicContact CD1-CD1 4.23Å; L213-L245 HydrophobicContact CD2-CD2 4.26Å; S233-L245 CarbonylContact O-C 3.16Å; S233-L245 WeakPolarHBondContact O-CA 3.45Å; V234-L245 HydrophobicContact CG2-CD1 4.32Å; V234-L245 HydrophobicContact CG2-CG 4.19Å; L245-L247 HydrophobicContact CD2-CB 4.22Å; L245-L247 HydrophobicContact CD2-CD2 3.86Å; L245-I259 HydrophobicContact CD1-CD1 4.08Å; L245-I259 HydrophobicContact CD1-CG1 4.34Å; L245-I259 HydrophobicContact CD1-CG2 4.25Å
246	R	96.4	Very high	92.1	Very high	126 Å²	126	55 Å²	55	48%	0.475	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.2	173.3	178.4	179.2	-79.8	-167	-4.4	109.1	P184 H185 T186 K232 S233	P184-R246 HydrophobicContact CB-CG 3.93Å; H185-R246 CarbonylContact O-C 3.58Å; H185-R246 VanDerWaalsContact O-CA 3.25Å; H185-R246 WeakPolarHBondContact O-CA 3.47Å; T186-R246 PolarHBondContact OG1-NE 3.23Å; K232-R246 CarbonylContact C-O 3.59Å; K232-R246 VanDerWaalsContact CA-O 3.27Å; K232-R246 WeakPolarHBondContact CA-O 3.5Å; S233-R246 PolarHBondContact N-O 2.74Å; S233-R246 PolarHBondContact O-N 3.35Å
247	L	96.4	Very high	92.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.7	174.9	65.5	150.4	0	0	0	111.3	L179 H185 L187 L213 E231 L245 L249 I273	L179-L247 HydrophobicContact CD1-CD1 4.35Å; H185-L247 HydrophobicContact CB-CD2 4.46Å; H185-L247 PolarHBondContact N-O 2.95Å; H185-L247 PolarHBondContact O-N 3.41Å; L187-L247 HydrophobicContact CD1-CD2 3.7Å; L187-L247 HydrophobicContact CG-CD2 3.91Å; L213-L247 HydrophobicContact CD2-CB 3.95Å; L213-L247 HydrophobicContact CD2-CD1 4.36Å; E231-L247 CarbonylContact O-C 3.59Å; E231-L247 VanDerWaalsContact O-CA 3.29Å; E231-L247 WeakPolarHBondContact O-CA 3.49Å; L245-L247 HydrophobicContact CD2-CB 4.22Å; L245-L247 HydrophobicContact CD2-CD2 3.86Å; L247-L249 HydrophobicContact CD1-CD1 3.69Å; L247-I273 HydrophobicContact CD1-CD1 3.88Å
248	T	97.1	Very high	92.9	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.086	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120.3	174.2	-51.5	0	0	0	0	108.4	F230 E231	F230-T248 CarbonylContact C-O 3.57Å; F230-T248 WeakPolarHBondContact CA-O 3.3Å; F230-T248 WeakPolarHBondContact CB-O 3.45Å; E231-T248 PolarHBondContact N-O 3.2Å; E231-T248 PolarHBondContact O-N 3.1Å
249	L	96.5	Very high	93.6	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.7	172.7	-77.8	86.3	0	0	0	109.9	L179 G182 I215 V228 F230 L247 F255 I273 V275	L179-L249 HydrophobicContact CD1-CD1 4.41Å; G182-L249 PolarHBondContact N-O 3.29Å; I215-L249 HydrophobicContact CD1-CD1 4.03Å; I215-L249 HydrophobicContact CD1-CD2 4.21Å; I215-L249 HydrophobicContact CD1-CG 4.21Å; I215-L249 HydrophobicContact CG2-CD2 4.28Å; V228-L249 HydrophobicContact CG1-CD2 4.32Å; F230-L249 HydrophobicContact CB-CG 4.18Å; L247-L249 HydrophobicContact CD1-CD1 3.69Å; L249-F255 HydrophobicContact CD2-CB 4.47Å; L249-F255 HydrophobicContact CD2-CD1 4.41Å; L249-F255 HydrophobicContact CD2-CD2 3.56Å; L249-F255 HydrophobicContact CD2-CE2 3.82Å; L249-F255 HydrophobicContact CD2-CG 3.89Å; L249-F255 HydrophobicContact CD2-CZ 4.36Å; L249-I273 HydrophobicContact CD1-CD1 4.16Å; L249-V275 HydrophobicContact CB-CG1 4.45Å; L249-V275 HydrophobicContact CB-CG2 3.87Å; L249-V275 HydrophobicContact CD2-CG2 3.7Å; L249-V275 HydrophobicContact CG-CG2 4.25Å
250	H	94.8	Very high	94.1	Very high	74 Å²	74	35.7 Å²	35.7	34%	0.343	17%	0.17	S	C	.	.			trans	-102.9	0.7	-177.9	-60.2	-73.5	0	0	0	113.7	C181 S229 E231	C181-H250 PolarHBondContact SG-O 2.89Å; S229-H250 PolarHBondContact O-N 3.28Å; S229-H250 VanDerWaalsContact O-N 3.11Å; E231-H250 IonicContact OE1-NE2 3.42Å
251	S	93.2	Very high	94.4	Very high	51 Å²	51	33 Å²	33	36%	0.357	15%	0.152	S	C	.	.	S	Bend	trans	-120.6	138.6	178.7	-61.3	0	0	0	0	110.1	F255 V275	S251-F255 WeakPolarHBondContact O-CE2 3.43Å; S251-V275 WeakPolarHBondContact O-CB 3.38Å; S251-V275 VanDerWaalsContact O-CG1 3.31Å; S251-V275 WeakPolarHBondContact O-CG1 3.43Å
252	R	93.1	Very high	94.4	Very high	138 Å²	138	33.8 Å²	33.8	52%	0.521	16%	0.157	S	C	.	.			trans	-74.3	148.7	172	-66.8	161.4	39.6	154.2	6.4	109.3	C181 V275 E280	C181-R252 HydrophobicContact CB-CG 4.42Å; R252-V275 WeakPolarHBondContact CA-O 3.42Å; R252-E280 IonicContact CZ-OE1 2.86Å; R252-E280 VanDerWaalsContact CZ-OE1 3.25Å; R252-E280 IonicContact CZ-OE2 3.22Å; R252-E280 IonicContact NE-OE1 3.15Å; R252-E280 IonicContact NE-OE2 2.88Å; R252-E280 IonicContact NH1-OE1 3.01Å; R252-E280 IonicContact NH2-OE1 2.96Å; R252-E280 PolarHBondContact NH2-OE1 2.97Å; R252-E280 IonicContact NH2-OE2 2.71Å
253	G	93.4	Very high	94.2	Very high	7 Å²	7	38 Å²	38	7%	0.072	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.3	-172	179.1	0	0	0	0	0	113.2	V275	G253-V275 PolarHBondContact N-O 3.46Å; G253-V275 VanDerWaalsContact N-O 3.12Å; G253-V275 PolarHBondContact O-N 3.49Å
254	C	95.3	Very high	94	Very high	1 Å²	1	43 Å²	43	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.5	168.1	-64.7	0	0	0	0	107	L218 I273 Y389 R418 N419	L218-C254 HydrophobicContact CB-CB 4.17Å; L218-C254 PolarHBondContact N-O 3.17Å; C254-I273 CarbonylContact C-O 3.53Å; C254-I273 VanDerWaalsContact CA-O 3.32Å; C254-I273 WeakPolarHBondContact CA-O 3.41Å; C254-Y389 HydrophobicContact CB-CD1 4.06Å; C254-Y389 HydrophobicContact CB-CD2 4.16Å; C254-Y389 HydrophobicContact CB-CE1 4.45Å; C254-Y389 HydrophobicContact CB-CG 3.9Å; C254-Y389 VanDerWaalsContact SG-CD1 3.53Å; C254-R418 PolarHBondContact SG-NH2 2.82Å; C254-N419 PolarHBondContact SG-OD1 2.83Å
255	F	95.8	Very high	93.8	Very high	2 Å²	2	42 Å²	42	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	149.7	-174.5	-52.9	-87.2	0	0	0	110.2	I215 H216 E217 V228 L249 S251 D272 I273 V275	I215-F255 HydrophobicContact CG2-CB 3.62Å; I215-F255 HydrophobicContact CG2-CD1 4.09Å; I215-F255 HydrophobicContact CG2-CG 4.07Å; H216-F255 CarbonylContact O-C 3.54Å; H216-F255 WeakPolarHBondContact O-CA 3.21Å; H216-F255 WeakPolarHBondContact O-CB 3.42Å; E217-F255 HydrophobicContact CB-CD1 4.1Å; E217-F255 HydrophobicContact CB-CE1 4.21Å; E217-F255 HydrophobicContact CG-CD1 4.3Å; E217-F255 HydrophobicContact CG-CE1 4.13Å; V228-F255 HydrophobicContact CG1-CD1 3.94Å; V228-F255 HydrophobicContact CG1-CE1 3.8Å; V228-F255 HydrophobicContact CG2-CD1 3.93Å; V228-F255 HydrophobicContact CG2-CE1 4.03Å; L249-F255 HydrophobicContact CD2-CB 4.47Å; L249-F255 HydrophobicContact CD2-CD1 4.41Å; L249-F255 HydrophobicContact CD2-CD2 3.56Å; L249-F255 HydrophobicContact CD2-CE2 3.82Å; L249-F255 HydrophobicContact CD2-CG 3.89Å; L249-F255 HydrophobicContact CD2-CZ 4.36Å; S251-F255 WeakPolarHBondContact O-CE2 3.43Å; F255-D272 CarbonylContact O-C 3.23Å; F255-D272 VanDerWaalsContact O-CA 3.24Å; F255-D272 WeakPolarHBondContact O-CA 3.38Å; F255-I273 HydrophobicContact CB-CB 4.41Å; F255-I273 PolarHBondContact N-O 3.18Å; F255-I273 PolarHBondContact O-N 3.19Å; F255-V275 HydrophobicContact CD2-CG2 3.76Å; F255-V275 HydrophobicContact CE2-CB 3.95Å; F255-V275 HydrophobicContact CE2-CG2 3.58Å
256	H	95.5	Very high	93.5	Very high	57 Å²	57	42.3 Å²	42.3	26%	0.264	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.2	168.3	-173.2	69.1	0	0	0	108.8	I215 H216 L218 D272	I215-H256 CarbonylContact C-O 3.54Å; I215-H256 WeakPolarHBondContact CA-O 3.27Å; H216-H256 PolarHBondContact N-O 2.81Å; H216-H256 PolarHBondContact O-N 2.73Å; L218-H256 HydrophobicContact CD1-CB 4.01Å; L218-H256 HydrophobicContact CD2-CB 3.9Å; L218-H256 HydrophobicContact CG-CB 3.9Å; H256-D272 IonicContact CE1-OD1 3.25Å; H256-D272 IonicContact CG-OD1 3.6Å; H256-D272 IonicContact ND1-OD1 2.94Å; H256-D272 PolarHBondContact ND1-OD1 2.84Å
257	A	96.2	Very high	92.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.1	-179.3	0	0	0	0	0	110.7	L213 S214 I215 E270 F271 I273	L213-A257 HydrophobicContact CD1-CB 4.24Å; S214-A257 VanDerWaalsContact O-CA 3.32Å; S214-A257 WeakPolarHBondContact O-CA 3.35Å; I215-A257 HydrophobicContact CG1-CB 4.27Å; A257-E270 WeakPolarHBondContact O-CA 3.2Å; A257-F271 HydrophobicContact CB-CD2 4.18Å; A257-F271 HydrophobicContact CB-CE1 4.41Å; A257-F271 HydrophobicContact CB-CE2 3.74Å; A257-F271 HydrophobicContact CB-CZ 3.86Å; A257-F271 PolarHBondContact N-O 3.01Å; A257-F271 PolarHBondContact O-N 2.91Å; A257-I273 HydrophobicContact CB-CD1 3.74Å; A257-I273 HydrophobicContact CB-CG1 4.18Å
258	C	95.7	Very high	92.4	Very high	15 Å²	15	41.5 Å²	41.5	10%	0.101	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.9	173	-179.7	0	0	0	0	109.9	L213 S214 G269 E270	L213-C258 WeakPolarHBondContact CA-O 3.14Å; S214-C258 PolarHBondContact N-O 3.09Å; S214-C258 PolarHBondContact O-N 3.36Å; S214-C258 PolarHBondContact OG-O 3.29Å; C258-G269 CarbonylContact C-O 3.59Å; C258-G269 WeakPolarHBondContact CA-O 3.48Å; C258-E270 HydrophobicContact CB-CG 4Å
259	I	95.6	Very high	92.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.7	172.2	-63.1	174.1	0	0	0	108.8	I170 L187 I189 T212 L213 L245 I266 G269 F271	I170-I259 HydrophobicContact CD1-CD1 3.87Å; L187-I259 HydrophobicContact CD1-CD1 3.6Å; I189-I259 HydrophobicContact CD1-CG2 4.11Å; T212-I259 WeakPolarHBondContact O-CA 3.42Å; L213-I259 HydrophobicContact CD1-CG1 3.75Å; L245-I259 HydrophobicContact CD1-CD1 4.08Å; L245-I259 HydrophobicContact CD1-CG1 4.34Å; L245-I259 HydrophobicContact CD1-CG2 4.25Å; I259-I266 HydrophobicContact CB-CD1 4.08Å; I259-I266 HydrophobicContact CB-CG1 4.19Å; I259-I266 HydrophobicContact CG2-CD1 3.61Å; I259-I266 HydrophobicContact CG2-CG1 4.02Å; I259-I266 PolarHBondContact O-N 2.91Å; I259-G269 PolarHBondContact N-O 3.14Å; I259-F271 HydrophobicContact CD1-CE1 3.81Å; I259-F271 HydrophobicContact CD1-CZ 4.04Å; I259-F271 HydrophobicContact CG1-CE1 4.12Å; I259-F271 HydrophobicContact CG1-CZ 4.45Å
260	S	93.6	Very high	92	Very high	14 Å²	14	46 Å²	46	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.4	177.8	-69.1	0	0	0	0	111.5	Y211 T212 Q264 P265	Y211-S260 CarbonylContact C-O 3.53Å; Y211-S260 WeakPolarHBondContact CA-O 3.29Å; T212-S260 PolarHBondContact N-O 2.88Å; T212-S260 PolarHBondContact O-N 3.34Å; T212-S260 WeakPolarHBondContact OG1-CB 3.45Å; S260-Q264 CarbonylContact C-O 3.5Å; S260-Q264 WeakPolarHBondContact CA-O 3.4Å; S260-Q264 VanDerWaalsContact CB-O 3.29Å; S260-Q264 WeakPolarHBondContact CB-O 3.21Å; S260-P265 WeakPolarHBondContact OG-CA 3.34Å
261	Y	92	Very high	92	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.1	166.1	-178.1	-84.6	0	0	0	108.2	V163 P165 S202 N210 Y211 N263 Q264	V163-Y261 HydrophobicContact CB-CE1 4.21Å; V163-Y261 HydrophobicContact CB-CE2 4.24Å; V163-Y261 HydrophobicContact CG1-CD1 4.3Å; V163-Y261 HydrophobicContact CG1-CD2 4.09Å; V163-Y261 HydrophobicContact CG1-CE1 4.03Å; V163-Y261 HydrophobicContact CG1-CE2 3.81Å; V163-Y261 HydrophobicContact CG1-CG 4.32Å; P165-Y261 HydrophobicContact CG-CD1 3.85Å; P165-Y261 HydrophobicContact CG-CG 4.39Å; S202-Y261 WeakPolarHBondContact CB-OH 3.35Å; S202-Y261 PolarHBondContact OG-OH 2.95Å; N210-Y261 HydrophobicContact CB-CD2 3.65Å; N210-Y261 HydrophobicContact CB-CE2 3.32Å; N210-Y261 HydrophobicContact CB-CG 4.4Å; N210-Y261 CarbonylContact O-C 2.87Å; N210-Y261 VanDerWaalsContact O-CA 3.27Å; N210-Y261 WeakPolarHBondContact O-CA 3.35Å; Y211-Y261 HydrophobicContact CD1-CD2 4.2Å; Y211-Y261 HydrophobicContact CD2-CD2 4.45Å; Y211-Y261 AromaticContact CE1-CD2 3.73Å; Y211-Y261 HydrophobicContact CE1-CD2 3.73Å; Y211-Y261 HydrophobicContact CE2-CD2 4Å; Y211-Y261 HydrophobicContact CE2-CE2 4.17Å; Y211-Y261 AromaticContact CZ-CD2 3.62Å; Y261-N263 VanDerWaalsContact C-N 3.32Å; Y261-N263 PolarHBondContact O-N 3.41Å; Y261-Q264 PolarHBondContact N-O 3.14Å; Y261-Q264 PolarHBondContact O-N 2.89Å
262	Q	87.6	Confident	92.1	Very high	86 Å²	86	41.8 Å²	41.8	40%	0.402	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	48.8	-177.2	-62	-178	-7.8	0	0	113	N210 Q264	N210-Q262 HydrophobicContact CB-CG 4.34Å; N210-Q262 PolarHBondContact O-N 3.39Å; N210-Q262 PolarHBondContact OD1-NE2 2.96Å; Q262-Q264 PolarHBondContact O-N 3.5Å
263	N	87.4	Confident	92.2	Very high	139 Å²	139	35.2 Å²	35.2	74%	0.743	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	11.1	-179	-49.3	-39.3	0	0	0	115.5	Y261	Y261-N263 VanDerWaalsContact C-N 3.32Å; Y261-N263 PolarHBondContact O-N 3.41Å
264	Q	88.3	Confident	92.4	Very high	110 Å²	110	35 Å²	35	51%	0.514	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.1	168.3	-64.3	-172.2	-1.8	0	0	109.6	P165 S260 Y261 Q262 I266	P165-Q264 HydrophobicContact CB-CB 3.91Å; P165-Q264 HydrophobicContact CG-CB 3.92Å; S260-Q264 CarbonylContact C-O 3.5Å; S260-Q264 WeakPolarHBondContact CA-O 3.4Å; S260-Q264 VanDerWaalsContact CB-O 3.29Å; S260-Q264 WeakPolarHBondContact CB-O 3.21Å; Y261-Q264 PolarHBondContact N-O 3.14Å; Y261-Q264 PolarHBondContact O-N 2.89Å; Q262-Q264 PolarHBondContact O-N 3.5Å; Q264-I266 PolarHBondContact O-N 2.77Å
265	P	89.8	Confident	92.5	Very high	39 Å²	39	34.9 Å²	34.9	25%	0.253	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	135.5	177.7	24.5	-33.2	0	0	0	109.9	S260	S260-P265 WeakPolarHBondContact OG-CA 3.34Å
266	I	90.6	Very high	92.6	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	159.7	172.1	66.6	172.5	0	0	0	109.5	P165 T168 I170 I189 I259 Q264 N268 G269	P165-I266 VanDerWaalsContact O-CA 3.3Å; P165-I266 WeakPolarHBondContact O-CA 3.45Å; T168-I266 HydrophobicContact CG2-CB 4.38Å; T168-I266 HydrophobicContact CG2-CG2 4.14Å; I170-I266 HydrophobicContact CD1-CD1 4.47Å; I170-I266 HydrophobicContact CG1-CD1 3.9Å; I189-I266 HydrophobicContact CD1-CD1 4.18Å; I189-I266 HydrophobicContact CG1-CD1 4.21Å; I189-I266 HydrophobicContact CG2-CD1 4.23Å; I259-I266 HydrophobicContact CB-CD1 4.08Å; I259-I266 HydrophobicContact CB-CG1 4.19Å; I259-I266 HydrophobicContact CG2-CD1 3.61Å; I259-I266 HydrophobicContact CG2-CG1 4.02Å; I259-I266 PolarHBondContact O-N 2.91Å; Q264-I266 PolarHBondContact O-N 2.77Å; I266-N268 PolarHBondContact O-N 3.47Å; I266-G269 PolarHBondContact O-N 3.47Å
267	N	83.8	Confident	92.7	Very high	71 Å²	71	33.3 Å²	33.3	38%	0.38	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	136.7	170	-169.1	2	0	0	0	109	P165 S166 T168 K169 G269	P165-N267 PolarHBondContact O-N 2.88Å; P165-N267 VanDerWaalsContact O-N 3.1Å; S166-N267 WeakPolarHBondContact O-CB 3.24Å; T168-N267 WeakPolarHBondContact O-CA 3.4Å; T168-N267 WeakPolarHBondContact O-CB 3.33Å; T168-N267 PolarHBondContact O-N 3.46Å; K169-N267 HydrophobicContact CB-CB 4.27Å; N267-G269 PolarHBondContact O-N 2.83Å; N267-G269 VanDerWaalsContact O-N 3.1Å
268	N	85.9	Confident	92.7	Very high	37 Å²	37	37.1 Å²	37.1	20%	0.198	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.1	29	-173.3	76.8	11.8	0	0	0	115.2	I170 H173 I266 E270	I170-N268 WeakPolarHBondContact CB-OD1 3.17Å; I170-N268 WeakPolarHBondContact CD1-O 3.35Å; I170-N268 PolarHBondContact N-OD1 3.16Å; I170-N268 PolarHBondContact O-ND2 3.22Å; H173-N268 WeakPolarHBondContact CB-ND2 3.41Å; H173-N268 PolarHBondContact CD2-O 3.17Å; H173-N268 PolarHBondContact NE2-O 3.02Å; I266-N268 PolarHBondContact O-N 3.47Å; N268-E270 VanDerWaalsContact C-N 3.33Å
269	G	91.7	Very high	92.8	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-11.9	179.7	0	0	0	0	0	114.8	C258 I259 I266 N267 F271	C258-G269 CarbonylContact C-O 3.59Å; C258-G269 WeakPolarHBondContact CA-O 3.48Å; I259-G269 PolarHBondContact N-O 3.14Å; I266-G269 PolarHBondContact O-N 3.47Å; N267-G269 PolarHBondContact O-N 2.83Å; N267-G269 VanDerWaalsContact O-N 3.1Å; G269-F271 WeakPolarHBondContact O-CD1 3.47Å; G269-F271 WeakPolarHBondContact O-CE1 3.25Å
270	E	92.4	Very high	92.9	Very high	111 Å²	111	43.4 Å²	43.4	52%	0.519	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.7	179.9	-68.9	-177.6	175.2	0	0	110.8	A257 C258 N268	A257-E270 WeakPolarHBondContact O-CA 3.2Å; C258-E270 HydrophobicContact CB-CG 4Å; N268-E270 VanDerWaalsContact C-N 3.33Å
271	F	94.1	Very high	93	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.022	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	159.2	-178.5	55.9	-87	0	0	0	111.1	I170 L177 L187 A257 I259 G269 I273	I170-F271 HydrophobicContact CD1-CD1 4.19Å; I170-F271 HydrophobicContact CD1-CE1 3.83Å; L177-F271 HydrophobicContact CD1-CD2 3.8Å; L177-F271 HydrophobicContact CD1-CE2 3.55Å; L177-F271 HydrophobicContact CD1-CZ 4.43Å; L177-F271 HydrophobicContact CG-CD2 4.11Å; L177-F271 HydrophobicContact CG-CE2 4.35Å; L187-F271 HydrophobicContact CD1-CE1 4.21Å; L187-F271 HydrophobicContact CD1-CE2 4.37Å; L187-F271 HydrophobicContact CD1-CZ 3.62Å; A257-F271 HydrophobicContact CB-CD2 4.18Å; A257-F271 HydrophobicContact CB-CE1 4.41Å; A257-F271 HydrophobicContact CB-CE2 3.74Å; A257-F271 HydrophobicContact CB-CZ 3.86Å; A257-F271 PolarHBondContact N-O 3.01Å; A257-F271 PolarHBondContact O-N 2.91Å; I259-F271 HydrophobicContact CD1-CE1 3.81Å; I259-F271 HydrophobicContact CD1-CZ 4.04Å; I259-F271 HydrophobicContact CG1-CE1 4.12Å; I259-F271 HydrophobicContact CG1-CZ 4.45Å; G269-F271 WeakPolarHBondContact O-CD1 3.47Å; G269-F271 WeakPolarHBondContact O-CE1 3.25Å; F271-I273 HydrophobicContact CD2-CD1 4.47Å; F271-I273 HydrophobicContact CD2-CG1 3.94Å; F271-I273 HydrophobicContact CE2-CD1 3.81Å; F271-I273 HydrophobicContact CE2-CG1 3.77Å
272	D	95.6	Very high	93.3	Very high	32 Å²	32	48.7 Å²	48.7	17%	0.171	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	156.9	177.1	-67.7	-12.4	0	0	0	111.9	S175 T176 L177 L218 F255 H256	S175-D272 PolarHBondContact O-N 3.08Å; T176-D272 CarbonylContact C-O 3.59Å; T176-D272 VanDerWaalsContact CA-O 3.31Å; T176-D272 WeakPolarHBondContact CA-O 3.35Å; T176-D272 HydrophobicContact CG2-CB 4.2Å; L177-D272 PolarHBondContact N-O 3.46Å; L218-D272 HydrophobicContact CD1-CB 4.27Å; F255-D272 CarbonylContact O-C 3.23Å; F255-D272 VanDerWaalsContact O-CA 3.24Å; F255-D272 WeakPolarHBondContact O-CA 3.38Å; H256-D272 IonicContact CE1-OD1 3.25Å; H256-D272 IonicContact CG-OD1 3.6Å; H256-D272 IonicContact ND1-OD1 2.94Å; H256-D272 PolarHBondContact ND1-OD1 2.84Å
273	I	96.9	Very high	93.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	120.3	179.7	-51.2	178.9	0	0	0	109.1	L177 L179 L247 L249 C254 F255 A257 F271 V275	L177-I273 CarbonylContact O-C 3.51Å; L177-I273 WeakPolarHBondContact O-CA 3.47Å; L179-I273 HydrophobicContact CB-CG2 4.26Å; L179-I273 HydrophobicContact CD1-CG2 3.59Å; L179-I273 HydrophobicContact CG-CG2 3.78Å; L247-I273 HydrophobicContact CD1-CD1 3.88Å; L249-I273 HydrophobicContact CD1-CD1 4.16Å; C254-I273 CarbonylContact C-O 3.53Å; C254-I273 VanDerWaalsContact CA-O 3.32Å; C254-I273 WeakPolarHBondContact CA-O 3.41Å; F255-I273 HydrophobicContact CB-CB 4.41Å; F255-I273 PolarHBondContact N-O 3.18Å; F255-I273 PolarHBondContact O-N 3.19Å; A257-I273 HydrophobicContact CB-CD1 3.74Å; A257-I273 HydrophobicContact CB-CG1 4.18Å; F271-I273 HydrophobicContact CD2-CD1 4.47Å; F271-I273 HydrophobicContact CD2-CG1 3.94Å; F271-I273 HydrophobicContact CE2-CD1 3.81Å; F271-I273 HydrophobicContact CE2-CG1 3.77Å; I273-V275 HydrophobicContact CG2-CG2 3.75Å
274	I	97.1	Very high	94.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	114.7	166.7	-50.3	175.7	0	0	0	107.9	T176 L177 V178 L179 L276 Y389 N419 A422 A423 I426	T176-I274 HydrophobicContact CG2-CD1 4.01Å; T176-I274 HydrophobicContact CG2-CG1 3.91Å; L177-I274 PolarHBondContact O-N 3.2Å; V178-I274 CarbonylContact C-O 3.48Å; V178-I274 WeakPolarHBondContact CA-O 3.42Å; V178-I274 HydrophobicContact CG2-CB 4.49Å; V178-I274 HydrophobicContact CG2-CD1 4.35Å; L179-I274 PolarHBondContact N-O 3.13Å; I274-L276 HydrophobicContact CG2-CD2 3.8Å; I274-L276 HydrophobicContact CG2-CG 4.33Å; I274-Y389 WeakPolarHBondContact CD1-OH 3.39Å; I274-N419 HydrophobicContact CG2-CB 4.28Å; I274-A422 HydrophobicContact CD1-CB 3.8Å; I274-A423 HydrophobicContact CD1-CB 4.39Å; I274-A423 HydrophobicContact CG2-CB 4.34Å; I274-I426 HydrophobicContact CD1-CG1 4.29Å
275	V	97.3	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119	176.6	-173.3	0	0	0	0	110	L179 C181 L249 S251 R252 G253 F255 I273	L179-V275 WeakPolarHBondContact O-CA 3.43Å; C181-V275 HydrophobicContact CB-CG1 3.87Å; L249-V275 HydrophobicContact CB-CG1 4.45Å; L249-V275 HydrophobicContact CB-CG2 3.87Å; L249-V275 HydrophobicContact CD2-CG2 3.7Å; L249-V275 HydrophobicContact CG-CG2 4.25Å; S251-V275 WeakPolarHBondContact O-CB 3.38Å; S251-V275 VanDerWaalsContact O-CG1 3.31Å; S251-V275 WeakPolarHBondContact O-CG1 3.43Å; R252-V275 WeakPolarHBondContact CA-O 3.42Å; G253-V275 PolarHBondContact N-O 3.46Å; G253-V275 VanDerWaalsContact N-O 3.12Å; G253-V275 PolarHBondContact O-N 3.49Å; F255-V275 HydrophobicContact CD2-CG2 3.76Å; F255-V275 HydrophobicContact CE2-CB 3.95Å; F255-V275 HydrophobicContact CE2-CG2 3.58Å; I273-V275 HydrophobicContact CG2-CG2 3.75Å
276	L	97.7	Very high	94.6	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	155.3	-177.9	-58.5	-179.2	0	0	0	111.8	V178 L179 T180 C181 I274 E280 V284 N419 A423	V178-L276 HydrophobicContact CG1-CD1 3.7Å; V178-L276 HydrophobicContact CG1-CG 4.27Å; L179-L276 PolarHBondContact O-N 3.45Å; T180-L276 CarbonylContact C-O 3.47Å; T180-L276 WeakPolarHBondContact CA-O 3.41Å; C181-L276 WeakPolarHBondContact CB-O 3.46Å; C181-L276 PolarHBondContact N-O 2.71Å; I274-L276 HydrophobicContact CG2-CD2 3.8Å; I274-L276 HydrophobicContact CG2-CG 4.33Å; L276-E280 WeakPolarHBondContact CA-OE2 3.21Å; L276-E280 HydrophobicContact CB-CB 3.91Å; L276-E280 HydrophobicContact CD2-CB 4.25Å; L276-E280 HydrophobicContact CG-CB 4.47Å; L276-V284 HydrophobicContact CD1-CB 4.43Å; L276-V284 HydrophobicContact CD1-CG2 3.84Å; L276-N419 HydrophobicContact CD2-CB 4.21Å; L276-A423 HydrophobicContact CD1-CB 3.76Å; L276-A423 HydrophobicContact CD2-CB 4.26Å; L276-A423 HydrophobicContact CG-CB 4.43Å
277	S	97.4	Very high	94.7	Very high	24 Å²	24	45.9 Å²	45.9	17%	0.168	22%	0.223	C	C	.	.			trans	-68.6	165.9	160.3	77.3	0	0	0	0	111.2	D279 E280 K281	S277-D279 VanDerWaalsContact C-N 3.26Å; S277-D279 PolarHBondContact O-N 3.08Å; S277-D279 PolarHBondContact OG-N 3.44Å; S277-E280 PolarHBondContact N-OE2 3.16Å; S277-E280 PolarHBondContact O-N 3.42Å; S277-E280 VanDerWaalsContact OG-CG 3.3Å; S277-E280 WeakPolarHBondContact OG-CG 3.47Å; S277-E280 PolarHBondContact OG-N 3.11Å; S277-E280 VanDerWaalsContact OG-N 3.12Å; S277-K281 WeakPolarHBondContact O-CB 3.4Å; S277-K281 PolarHBondContact O-N 2.78Å
278	E	96.6	Very high	95	Very high	79 Å²	79	43.2 Å²	43.2	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-61.3	-36.8	175.2	-169.1	65.8	-145	0	0	111.6	T180 Q183 K281 N282	T180-E278 WeakPolarHBondContact CG2-OE2 3.25Å; Q183-E278 PolarHBondContact NE2-OE2 3.39Å; E278-K281 WeakPolarHBondContact OE1-CD 3.27Å; E278-K281 IonicContact OE1-NZ 2.7Å; E278-K281 PolarHBondContact OE1-NZ 2.91Å; E278-K281 IonicContact OE2-NZ 3.65Å; E278-K281 PolarHBondContact OE2-NZ 2.71Å; E278-N282 PolarHBondContact O-N 2.87Å; E278-N282 PolarHBondContact O-ND2 2.81Å
279	D	97.4	Very high	95.1	Very high	121 Å²	121	45 Å²	45	65%	0.647	22%	0.224	S	C	*	.	H	α-helix	trans	-65.9	-44.5	176.2	-66.8	-33.3	0	0	0	112	S277 N282 I283	S277-D279 VanDerWaalsContact C-N 3.26Å; S277-D279 PolarHBondContact O-N 3.08Å; S277-D279 PolarHBondContact OG-N 3.44Å; D279-N282 PolarHBondContact O-N 2.79Å; D279-I283 WeakPolarHBondContact O-CG1 3.41Å; D279-I283 PolarHBondContact O-N 3.37Å
280	E	97.5	Very high	94.6	Very high	27 Å²	27	47.4 Å²	47.4	13%	0.126	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-43.1	177.8	-72.3	169.8	166.1	0	0	111.2	R252 L276 S277 N282 I283 V284 I420	R252-E280 IonicContact CZ-OE1 2.86Å; R252-E280 VanDerWaalsContact CZ-OE1 3.25Å; R252-E280 IonicContact CZ-OE2 3.22Å; R252-E280 IonicContact NE-OE1 3.15Å; R252-E280 IonicContact NE-OE2 2.88Å; R252-E280 IonicContact NH1-OE1 3.01Å; R252-E280 IonicContact NH2-OE1 2.96Å; R252-E280 PolarHBondContact NH2-OE1 2.97Å; R252-E280 IonicContact NH2-OE2 2.71Å; L276-E280 WeakPolarHBondContact CA-OE2 3.21Å; L276-E280 HydrophobicContact CB-CB 3.91Å; L276-E280 HydrophobicContact CD2-CB 4.25Å; L276-E280 HydrophobicContact CG-CB 4.47Å; S277-E280 PolarHBondContact N-OE2 3.16Å; S277-E280 PolarHBondContact O-N 3.42Å; S277-E280 VanDerWaalsContact OG-CG 3.3Å; S277-E280 WeakPolarHBondContact OG-CG 3.47Å; S277-E280 PolarHBondContact OG-N 3.11Å; S277-E280 VanDerWaalsContact OG-N 3.12Å; E280-N282 VanDerWaalsContact C-N 3.34Å; E280-N282 PolarHBondContact O-N 2.84Å; E280-I283 WeakPolarHBondContact O-CB 3.41Å; E280-I283 PolarHBondContact O-N 3.26Å; E280-V284 WeakPolarHBondContact O-CG2 3.49Å; E280-V284 PolarHBondContact O-N 3.02Å; E280-I420 HydrophobicContact CB-CG1 4.27Å; E280-I420 HydrophobicContact CG-CD1 4.05Å; E280-I420 HydrophobicContact CG-CG1 4.11Å
281	K	96.8	Very high	93.6	Very high	53 Å²	53	47.1 Å²	47.1	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-56.5	-46.8	172.4	174.1	-148.3	-176.2	174.2	0	111.3	T180 S277 E278 I283 V284 E285	T180-K281 HydrophobicContact CG2-CD 4.16Å; T180-K281 WeakPolarHBondContact OG1-CD 3.46Å; S277-K281 WeakPolarHBondContact O-CB 3.4Å; S277-K281 PolarHBondContact O-N 2.78Å; E278-K281 WeakPolarHBondContact OE1-CD 3.27Å; E278-K281 IonicContact OE1-NZ 2.7Å; E278-K281 PolarHBondContact OE1-NZ 2.91Å; E278-K281 IonicContact OE2-NZ 3.65Å; E278-K281 PolarHBondContact OE2-NZ 2.71Å; K281-I283 VanDerWaalsContact C-N 3.29Å; K281-I283 PolarHBondContact O-N 3.46Å; K281-V284 PolarHBondContact O-N 2.95Å; K281-E285 WeakPolarHBondContact O-CG 3.49Å; K281-E285 PolarHBondContact O-N 2.84Å
282	N	97.2	Very high	92.4	Very high	75 Å²	75	51 Å²	51	40%	0.401	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-36.3	178.3	-72.9	-36	0	0	0	112.5	E278 D279 E280 R286	E278-N282 PolarHBondContact O-N 2.87Å; E278-N282 PolarHBondContact O-ND2 2.81Å; D279-N282 PolarHBondContact O-N 2.79Å; E280-N282 VanDerWaalsContact C-N 3.34Å; E280-N282 PolarHBondContact O-N 2.84Å; N282-R286 WeakPolarHBondContact O-CB 3.27Å; N282-R286 PolarHBondContact O-N 3.46Å; N282-R286 VanDerWaalsContact O-N 3.08Å
283	I	96.4	Very high	91.3	Very high	59 Å²	59	53.9 Å²	53.9	30%	0.303	31%	0.309	S	S	.	.	H	α-helix	trans	-64.5	-48	173.2	-66.8	164.5	0	0	0	110.5	D279 E280 K281 R286 N287 I420	D279-I283 WeakPolarHBondContact O-CG1 3.41Å; D279-I283 PolarHBondContact O-N 3.37Å; E280-I283 WeakPolarHBondContact O-CB 3.41Å; E280-I283 PolarHBondContact O-N 3.26Å; K281-I283 VanDerWaalsContact C-N 3.29Å; K281-I283 PolarHBondContact O-N 3.46Å; I283-R286 WeakPolarHBondContact O-CB 3.34Å; I283-R286 PolarHBondContact O-N 2.75Å; I283-N287 PolarHBondContact O-N 2.97Å; I283-N287 PolarHBondContact O-ND2 3.42Å; I283-N287 PolarHBondContact O-OD1 3.18Å; I283-I420 HydrophobicContact CD1-CD1 4.33Å; I283-I420 HydrophobicContact CG2-CG2 3.82Å
284	V	95.4	Very high	90.5	Very high	1 Å²	1	56 Å²	56	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-46.3	179.3	171.7	0	0	0	0	111.6	L276 E280 K281 R286 N287 V288 I420 A423 R427	L276-V284 HydrophobicContact CD1-CB 4.43Å; L276-V284 HydrophobicContact CD1-CG2 3.84Å; E280-V284 WeakPolarHBondContact O-CG2 3.49Å; E280-V284 PolarHBondContact O-N 3.02Å; K281-V284 PolarHBondContact O-N 2.95Å; V284-R286 VanDerWaalsContact C-N 3.32Å; V284-R286 PolarHBondContact O-N 3.03Å; V284-N287 WeakPolarHBondContact O-CB 3.23Å; V284-N287 PolarHBondContact O-N 2.71Å; V284-N287 VanDerWaalsContact O-N 3.16Å; V284-V288 HydrophobicContact CG1-CG2 4.39Å; V284-V288 VanDerWaalsContact O-CG2 3.32Å; V284-V288 WeakPolarHBondContact O-CG2 3.39Å; V284-V288 PolarHBondContact O-N 3.4Å; V284-I420 HydrophobicContact CG2-CG2 3.89Å; V284-A423 HydrophobicContact CG1-CB 4.21Å; V284-A423 HydrophobicContact CG2-CB 3.8Å; V284-R427 HydrophobicContact CG1-CB 4.16Å; V284-R427 HydrophobicContact CG1-CG 3.8Å
285	E	94.5	Very high	90.1	Very high	73 Å²	73	57.4 Å²	57.4	34%	0.341	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-39.1	178	-71.5	-60.2	150.7	0	0	111.7	K281 V288 S289 R427	K281-E285 WeakPolarHBondContact O-CG 3.49Å; K281-E285 PolarHBondContact O-N 2.84Å; E285-V288 PolarHBondContact O-N 2.97Å; E285-S289 WeakPolarHBondContact O-CB 3.36Å; E285-S289 PolarHBondContact O-N 3.26Å; E285-S289 PolarHBondContact O-OG 3.49Å; E285-R427 IonicContact OE1-CZ 2.71Å; E285-R427 VanDerWaalsContact OE1-CZ 3.28Å; E285-R427 IonicContact OE1-NE 3.24Å; E285-R427 PolarHBondContact OE1-NE 2.86Å; E285-R427 IonicContact OE1-NH2 3.64Å; E285-R427 PolarHBondContact OE1-NH2 3.14Å; E285-R427 IonicContact OE2-NH2 3.98Å
286	R	94	Very high	89.9	Confident	164 Å²	164	64.3 Å²	64.3	62%	0.619	36%	0.358	S	S	*	.	H	α-helix	trans	-60.7	-46.5	171.9	-172.9	-176.3	-62.2	158	2.9	111.5	N282 I283 V284 V288 S289 T290	N282-R286 WeakPolarHBondContact O-CB 3.27Å; N282-R286 PolarHBondContact O-N 3.46Å; N282-R286 VanDerWaalsContact O-N 3.08Å; I283-R286 WeakPolarHBondContact O-CB 3.34Å; I283-R286 PolarHBondContact O-N 2.75Å; V284-R286 VanDerWaalsContact C-N 3.32Å; V284-R286 PolarHBondContact O-N 3.03Å; R286-V288 PolarHBondContact O-N 3.38Å; R286-S289 WeakPolarHBondContact CA-OG 3.48Å; R286-S289 PolarHBondContact O-N 2.74Å; R286-S289 PolarHBondContact O-OG 2.85Å; R286-T290 PolarHBondContact O-N 3.07Å; R286-T290 VanDerWaalsContact O-N 3.11Å; R286-T290 PolarHBondContact O-OG1 2.76Å
287	N	93.1	Very high	89.8	Confident	25 Å²	25	64.6 Å²	64.6	13%	0.134	36%	0.359	C	S	.	.	H	α-helix	trans	-58.2	-45	178.6	-70.7	-13.5	0	0	0	112.4	I283 V284 I295 T424	I283-N287 PolarHBondContact O-N 2.97Å; I283-N287 PolarHBondContact O-ND2 3.42Å; I283-N287 PolarHBondContact O-OD1 3.18Å; V284-N287 WeakPolarHBondContact O-CB 3.23Å; V284-N287 PolarHBondContact O-N 2.71Å; V284-N287 VanDerWaalsContact O-N 3.16Å; N287-I295 HydrophobicContact CB-CD1 4.48Å; N287-I295 HydrophobicContact CB-CG1 3.87Å; N287-I295 HydrophobicContact CB-CG2 4.45Å; N287-T424 HydrophobicContact CB-CG2 3.64Å; N287-T424 PolarHBondContact ND2-OG1 2.72Å
288	V	90.2	Very high	89.7	Confident	16 Å²	16	67.4 Å²	67.4	10%	0.097	37%	0.37	C	S	.	.	H	α-helix	trans	-77.8	-27.3	-176.4	177.7	0	0	0	0	112.6	V284 E285 R286 T424 R427 K431	V284-V288 HydrophobicContact CG1-CG2 4.39Å; V284-V288 VanDerWaalsContact O-CG2 3.32Å; V284-V288 WeakPolarHBondContact O-CG2 3.39Å; V284-V288 PolarHBondContact O-N 3.4Å; E285-V288 PolarHBondContact O-N 2.97Å; R286-V288 PolarHBondContact O-N 3.38Å; V288-T424 HydrophobicContact CG2-CG2 4.33Å; V288-R427 HydrophobicContact CG2-CB 3.73Å; V288-K431 HydrophobicContact CG1-CD 4.06Å; V288-K431 PolarHBondContact O-NZ 3.38Å
289	S	88.3	Confident	89.7	Confident	74 Å²	74	63.7 Å²	63.7	52%	0.517	35%	0.352	S	S	.	.	H	α-helix	trans	-76.7	-27	175.7	69.8	0	0	0	0	113.2	E285 R286 S291	E285-S289 WeakPolarHBondContact O-CB 3.36Å; E285-S289 PolarHBondContact O-N 3.26Å; E285-S289 PolarHBondContact O-OG 3.49Å; R286-S289 WeakPolarHBondContact CA-OG 3.48Å; R286-S289 PolarHBondContact O-N 2.74Å; R286-S289 PolarHBondContact O-OG 2.85Å; S289-S291 PolarHBondContact O-N 2.99Å; S289-S291 VanDerWaalsContact O-N 3.09Å; S289-S291 PolarHBondContact O-OG 2.99Å
290	T	81.3	Confident	89.6	Confident	52 Å²	52	60.1 Å²	60.1	32%	0.319	33%	0.33	S	S	.	.			trans	-69.5	106.5	-176.5	-58	0	0	0	0	110.7	R286 V293	R286-T290 PolarHBondContact O-N 3.07Å; R286-T290 VanDerWaalsContact O-N 3.11Å; R286-T290 PolarHBondContact O-OG1 2.76Å; T290-V293 HydrophobicContact CG2-CB 4.18Å; T290-V293 HydrophobicContact CG2-CG2 4.48Å
291	S	71.4	Confident	89.5	Confident	106 Å²	106	59 Å²	59	74%	0.741	33%	0.325	S	S	*	.			trans	-84.1	133.8	-176.7	-62.3	0	0	0	0	111.5	S289 V293	S289-S291 PolarHBondContact O-N 2.99Å; S289-S291 VanDerWaalsContact O-N 3.09Å; S289-S291 PolarHBondContact O-OG 2.99Å; S291-V293 PolarHBondContact O-N 2.82Å
292	G	68.4	Low	89.1	Confident	87 Å²	87	57.1 Å²	57.1	90%	0.897	32%	0.317	S	S	*	.	S	Bend	trans	86.2	-8.4	170.6	0	0	0	0	0	116.8
293	V	73	Confident	87.9	Confident	91 Å²	91	56 Å²	56	55%	0.552	31%	0.31	S	S	*	.			trans	-112.4	132.8	177.8	-175.7	0	0	0	0	109.9	T290 S291	T290-V293 HydrophobicContact CG2-CB 4.18Å; T290-V293 HydrophobicContact CG2-CG2 4.48Å; S291-V293 PolarHBondContact O-N 2.82Å
294	S	79.1	Confident	86	Confident	45 Å²	45	56.7 Å²	56.7	32%	0.315	33%	0.326	S	S	.	.			trans	-79.5	123.5	170.3	-58.6	0	0	0	0	109.5
295	I	89.9	Confident	83.4	Confident	32 Å²	32	61.8 Å²	61.8	16%	0.164	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	140.3	173.7	-55.4	-58.9	0	0	0	108.2	N287 F297 Y356 V357	N287-I295 HydrophobicContact CB-CD1 4.48Å; N287-I295 HydrophobicContact CB-CG1 3.87Å; N287-I295 HydrophobicContact CB-CG2 4.45Å; I295-F297 HydrophobicContact CG2-CE2 3.88Å; I295-F297 HydrophobicContact CG2-CZ 4Å; I295-Y356 CarbonylContact O-C 3.54Å; I295-Y356 WeakPolarHBondContact O-CA 3.48Å; I295-V357 PolarHBondContact N-O 2.71Å; I295-V357 PolarHBondContact O-N 2.88Å
296	Y	92.6	Very high	80.5	Confident	145 Å²	145	61.6 Å²	61.6	57%	0.569	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	149.7	-180	74.9	-90.1	0	0	0	112.4	Y354 C355 Y356	Y296-Y354 AromaticContact CD2-CD1 3.98Å; Y296-Y354 HydrophobicContact CD2-CD1 3.98Å; Y296-Y354 HydrophobicContact CE2-CD1 4.37Å; Y296-C355 CarbonylContact C-O 3.58Å; Y296-C355 WeakPolarHBondContact CA-O 3.46Å; Y296-Y356 HydrophobicContact CD1-CE1 4.46Å; Y296-Y356 HydrophobicContact CG-CE1 4.28Å
297	F	95.3	Very high	77.5	Confident	7 Å²	7	58.1 Å²	58.1	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.3	176	-60.2	-90.8	0	0	0	109.3	I295 Y354 C355 V357 E417 I420 L421	I295-F297 HydrophobicContact CG2-CE2 3.88Å; I295-F297 HydrophobicContact CG2-CZ 4Å; F297-Y354 CarbonylContact O-C 3.39Å; F297-Y354 WeakPolarHBondContact O-CA 3.5Å; F297-C355 HydrophobicContact CB-CB 4.46Å; F297-C355 PolarHBondContact N-O 3.24Å; F297-C355 PolarHBondContact O-N 3.29Å; F297-V357 HydrophobicContact CD2-CG2 4.28Å; F297-V357 HydrophobicContact CE2-CG2 3.92Å; F297-E417 HydrophobicContact CD1-CB 4.2Å; F297-I420 HydrophobicContact CE1-CB 4.28Å; F297-I420 HydrophobicContact CE1-CG2 3.81Å; F297-I420 HydrophobicContact CZ-CG2 4.13Å; F297-L421 HydrophobicContact CB-CD1 3.87Å; F297-L421 HydrophobicContact CD1-CB 4.07Å; F297-L421 HydrophobicContact CD2-CB 3.96Å; F297-L421 HydrophobicContact CD2-CD1 4.01Å; F297-L421 HydrophobicContact CD2-CG 3.88Å; F297-L421 HydrophobicContact CE1-CB 4.18Å; F297-L421 HydrophobicContact CE2-CB 4.1Å; F297-L421 HydrophobicContact CE2-CG 4.25Å; F297-L421 HydrophobicContact CG-CB 3.95Å; F297-L421 HydrophobicContact CG-CD1 3.99Å; F297-L421 HydrophobicContact CG-CG 4.17Å; F297-L421 HydrophobicContact CZ-CB 4.2Å
298	E	95.4	Very high	74.3	Confident	84 Å²	84	62 Å²	62	39%	0.393	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.9	170.7	-179.4	172.3	149	0	0	109.9	K352 C415	E298-K352 VanDerWaalsContact OE1-CE 3.22Å; E298-K352 WeakPolarHBondContact OE1-CE 3.26Å; E298-K352 IonicContact OE1-NZ 3.88Å; E298-K352 PolarHBondContact OE1-NZ 3.25Å; E298-K352 WeakPolarHBondContact OE2-CE 3.38Å; E298-K352 IonicContact OE2-NZ 3.79Å; E298-K352 PolarHBondContact OE2-NZ 3.08Å; E298-C415 PolarHBondContact O-SG 2.61Å
299	A	96.6	Very high	71.2	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	169.5	-179.3	0	0	0	0	0	112	V353 S414 C415	A299-V353 HydrophobicContact CB-CG2 4.13Å; A299-V353 PolarHBondContact N-O 2.73Å; A299-V353 PolarHBondContact O-N 3.06Å; A299-S414 CarbonylContact C-O 3.47Å; A299-S414 WeakPolarHBondContact CA-O 3.33Å; A299-S414 WeakPolarHBondContact CB-O 3.46Å; A299-C415 HydrophobicContact CB-CB 4.14Å
300	Y	96	Very high	68.1	Low	46 Å²	46	68.5 Å²	68.5	18%	0.18	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.7	174.3	-63.2	-83.9	0	0	0	109.8	K351 K352 H396 L398 L413 S414	Y300-K351 CarbonylContact C-O 3.45Å; Y300-K351 WeakPolarHBondContact CA-O 3.43Å; Y300-K352 HydrophobicContact CD1-CB 4.29Å; Y300-K352 HydrophobicContact CE1-CB 4.11Å; Y300-K352 HydrophobicContact CE1-CG 4.43Å; Y300-H396 AromaticContact CD1-CE1 3.4Å; Y300-H396 WeakPolarHBondContact CD1-CE1 3.48Å; Y300-H396 AromaticContact CD1-NE2 3.72Å; Y300-H396 AromaticContact CD2-CE1 3.92Å; Y300-H396 AromaticContact CD2-ND1 3.85Å; Y300-H396 AromaticContact CE1-CE1 3.61Å; Y300-H396 AromaticContact CE1-NE2 3.39Å; Y300-H396 WeakPolarHBondContact CE1-NE2 3.32Å; Y300-H396 AromaticContact CE2-CD2 3.9Å; Y300-H396 AromaticContact CE2-NE2 3.99Å; Y300-H396 AromaticContact CG-CE1 3.57Å; Y300-H396 AromaticContact CG-ND1 3.81Å; Y300-H396 AromaticContact CZ-CD2 3.79Å; Y300-H396 AromaticContact CZ-CE1 3.97Å; Y300-H396 AromaticContact CZ-NE2 3.54Å; Y300-L398 HydrophobicContact CD2-CD1 4.15Å; Y300-L398 HydrophobicContact CE2-CD1 4.05Å; Y300-L413 WeakPolarHBondContact O-CA 3.17Å; Y300-S414 PolarHBondContact N-O 3.16Å; Y300-S414 PolarHBondContact O-N 3.17Å
301	L	93.6	Very high	65.5	Low	4 Å²	4	71.1 Å²	71.1	2%	0.021	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124	178.5	175.5	68.5	0	0	0	110.2	P350 K351 V353 L376 Y377 V411 L413	L301-P350 WeakPolarHBondContact O-CA 3.35Å; L301-P350 WeakPolarHBondContact O-CB 3.23Å; L301-K351 HydrophobicContact CB-CB 4.47Å; L301-K351 PolarHBondContact N-O 3Å; L301-K351 PolarHBondContact O-N 3.18Å; L301-V353 HydrophobicContact CB-CB 4.46Å; L301-V353 HydrophobicContact CB-CG1 3.71Å; L301-V353 HydrophobicContact CB-CG2 3.86Å; L301-V353 HydrophobicContact CD2-CG1 4.19Å; L301-L376 HydrophobicContact CD2-CD1 3.8Å; L301-Y377 HydrophobicContact CD1-CE2 4.03Å; L301-Y377 HydrophobicContact CD2-CE2 3.82Å; L301-V411 HydrophobicContact CD1-CG1 3.55Å; L301-L413 HydrophobicContact CB-CD2 4.42Å; L301-L413 HydrophobicContact CD1-CD2 4.08Å
302	Y	89.2	Confident	63.2	Low	14 Å²	14	78 Å²	78	6%	0.055	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.6	172	-77.6	-95.5	0	0	0	110.2	P350 D393 E412	Y302-P350 HydrophobicContact CD1-CB 4.05Å; Y302-P350 HydrophobicContact CD2-CB 4Å; Y302-P350 HydrophobicContact CE1-CB 3.82Å; Y302-P350 HydrophobicContact CE1-CG 3.96Å; Y302-P350 HydrophobicContact CE2-CB 3.78Å; Y302-P350 HydrophobicContact CE2-CG 4.17Å; Y302-P350 HydrophobicContact CG-CB 4.14Å; Y302-D393 HydrophobicContact CE2-CB 3.96Å; Y302-D393 PolarHBondContact OH-OD1 3.32Å; Y302-E412 PolarHBondContact N-O 3.12Å; Y302-E412 VanDerWaalsContact N-O 3.13Å
303	N	72.5	Confident	61	Low	50 Å²	50	82.1 Å²	82.1	27%	0.267	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-81.3	137.9	178	-75	-20.2	0	0	0	110	T305 N306	N303-T305 PolarHBondContact O-N 3.19Å; N303-N306 PolarHBondContact O-N 3.05Å; N303-N306 VanDerWaalsContact O-N 3.17Å
304	A	55.8	Low	58.8	Low	75 Å²	75	84.4 Å²	84.4	62%	0.62	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-56.1	-21.6	178.3	0	0	0	0	0	114.5	N306 C307	A304-N306 PolarHBondContact O-N 3.33Å; A304-C307 PolarHBondContact O-N 3.29Å
305	T	40.9	Very low	56.1	Low	107 Å²	107	87.3 Å²	87.3	66%	0.656	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-67.7	-10.2	178.1	26.9	0	0	0	0	114.9	N303 C307	N303-T305 PolarHBondContact O-N 3.19Å; T305-C307 VanDerWaalsContact C-N 3.33Å
306	N	34.6	Very low	53	Low	70 Å²	70	91 Å²	91	37%	0.374	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-83.2	-3.5	179.2	-72.5	-3.8	0	0	0	114.3	N303 A304	N303-N306 PolarHBondContact O-N 3.05Å; N303-N306 VanDerWaalsContact O-N 3.17Å; A304-N306 PolarHBondContact O-N 3.33Å
307	C	30	Very low	49.8	Very low	90 Å²	90	92.1 Å²	92.1	61%	0.608	52%	0.516	S	S	*	.			trans	-123.7	66.8	-175.6	-69.8	0	0	0	0	112.2	A304 T305	A304-C307 PolarHBondContact O-N 3.29Å; T305-C307 VanDerWaalsContact C-N 3.33Å
308	S	27	Very low	46.3	Very low	107 Å²	107	99.8 Å²	99.8	75%	0.748	55%	0.552	S	S	*	*			trans	-99.8	67.8	162.6	54.3	0	0	0	0	110.4
309	S	25	Very low	43	Very low	109 Å²	109	103.3 Å²	103.3	76%	0.762	57%	0.57	S	S	*	*			trans	-131.5	45.5	161.6	70.8	0	0	0	0	111.5
310	T	23.4	Very low	39.4	Very low	117 Å²	117	109.7 Å²	109.7	72%	0.718	61%	0.609	S	S	*	*	S	Bend	trans	-156.9	104.3	159.2	6.1	0	0	0	0	108.2	W312	T310-W312 PolarHBondContact O-N 3.35Å
311	P	25.1	Very low	36.1	Very low	107 Å²	107	112.6 Å²	112.6	70%	0.695	64%	0.637	S	S	*	*			trans	-69	123.7	179	-13.8	27.6	0	0	0	110.5	H313	P311-H313 PolarHBondContact O-N 3.12Å
312	W	24.1	Very low	32.7	Very low	251 Å²	251	118 Å²	118	95%	0.951	67%	0.674	S	S	*	*			trans	-65.7	95.7	167.4	-71	81.8	0	0	0	109.4	T310	T310-W312 PolarHBondContact O-N 3.35Å
313	H	22.2	Very low	29.8	Very low	174 Å²	174	126.4 Å²	126.4	81%	0.806	71%	0.714	S	S	*	*			trans	-95.8	101.9	166.8	-81.9	-66.3	0	0	0	109.7	P311	P311-H313 PolarHBondContact O-N 3.12Å
314	L	25.7	Very low	27.4	Very low	138 Å²	138	135.5 Å²	135.5	72%	0.723	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-67.4	145.4	158.1	-90	151.4	0	0	0	109.2
315	P	23.6	Very low	25.7	Very low	106 Å²	106	143.4 Å²	143.4	69%	0.688	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-61.8	140.7	-179.1	-16	28.2	0	0	0	111	M317	P315-M317 PolarHBondContact O-N 2.86Å; P315-M317 VanDerWaalsContact O-N 3.15Å
316	P	25.4	Very low	25	Very low	110 Å²	110	143.8 Å²	143.8	71%	0.714	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-64.8	116.9	-173.7	23.5	-31.3	0	0	0	111.5	H318	P316-H318 PolarHBondContact O-N 3.48Å; P316-H318 VanDerWaalsContact O-N 3.16Å
317	M	24.4	Very low	24.3	Very low	169 Å²	169	145 Å²	145	83%	0.833	78%	0.777	S	S	*	*			trans	-69.7	105.5	163.3	-71.9	-176.9	86.5	0	0	108.1	P315 M319	P315-M317 PolarHBondContact O-N 2.86Å; P315-M317 VanDerWaalsContact O-N 3.15Å; M317-M319 VanDerWaalsContact C-N 3.34Å; M317-M319 PolarHBondContact O-N 3.23Å
318	H	22.6	Very low	24	Very low	167 Å²	167	147.3 Å²	147.3	77%	0.773	79%	0.788	S	S	*	*			trans	-62.2	93.5	169.4	-83.1	-79.1	0	0	0	110	P316	P316-H318 PolarHBondContact O-N 3.48Å; P316-H318 VanDerWaalsContact O-N 3.16Å
319	M	24.9	Very low	24	Very low	158 Å²	158	146.5 Å²	146.5	78%	0.778	79%	0.788	S	S	*	*			trans	-85.8	103	159.8	-76.5	-74.5	104.7	0	0	107.9	M317 S321	M317-M319 VanDerWaalsContact C-N 3.34Å; M317-M319 PolarHBondContact O-N 3.23Å; M319-S321 PolarHBondContact O-N 3.46Å
320	T	21.2	Very low	23.9	Very low	135 Å²	135	147.1 Å²	147.1	83%	0.828	79%	0.787	S	S	*	*			trans	-76.6	100.7	169.1	42.5	0	0	0	0	109.2
321	S	27.4	Very low	24.1	Very low	107 Å²	107	148.8 Å²	148.8	75%	0.748	79%	0.792	S	S	*	*			trans	-145.9	98.7	157	54.7	0	0	0	0	111	M319 Q323	M319-S321 PolarHBondContact O-N 3.46Å; S321-Q323 PolarHBondContact O-N 2.8Å
322	S	22.5	Very low	23.9	Very low	117 Å²	117	151.8 Å²	151.8	82%	0.818	80%	0.796	S	S	*	*			trans	-54.7	120.7	157.8	-59.1	0	0	0	0	109.8
323	Q	28.2	Very low	23.8	Very low	191 Å²	191	147.9 Å²	147.9	89%	0.893	79%	0.789	S	S	*	*			trans	-163.4	99.8	148.3	-108.1	166.4	47.5	0	0	112.7	S321	S321-Q323 PolarHBondContact O-N 2.8Å
324	R	22.5	Very low	24.1	Very low	241 Å²	241	147.3 Å²	147.3	91%	0.909	79%	0.792	S	S	*	*			trans	33.3	118.5	142	-69.1	-178.8	-171.9	179.3	2.7	121.1
325	R	18.9	Very low	23.9	Very low	241 Å²	241	150.1 Å²	150.1	91%	0.909	80%	0.801	S	S	*	*			trans	-51.1	151.4	147.9	-73.2	176.2	176.9	173.3	-2.2	114.2
326	P	25.5	Very low	24.1	Very low	114 Å²	114	151.9 Å²	151.9	74%	0.74	81%	0.805	S	S	*	*				-120.2	125.1	122.5	29.2	-15.3	0	0	0	109.1
327	S	21.1	Very low	24.1	Very low	96 Å²	96	151.2 Å²	151.2	67%	0.671	80%	0.803	S	S	*	*				38.9	114.5	76.1	86.5	0	0	0	0	112.1
328	T	23.4	Very low	24.4	Very low	138 Å²	138	149.6 Å²	149.6	85%	0.847	81%	0.805	S	S	*	*				176.8	169.6	55.9	25.2	0	0	0	0	109.6
329	A	27.2	Very low	24.6	Very low	90 Å²	90	147.2 Å²	147.2	74%	0.744	81%	0.807	S	S	*	*			trans	92	101.2	172.6	0	0	0	0	0	113.3
330	V	22.1	Very low	24.7	Very low	123 Å²	123	148.5 Å²	148.5	75%	0.745	81%	0.811	S	S	*	*				63.6	107.8	56.2	-166.5	0	0	0	0	112
331	D	28	Very low	24.8	Very low	152 Å²	152	147.9 Å²	147.9	81%	0.813	81%	0.811	S	S	*	*			trans	169.9	92.2	147.8	-79.3	-19.8	0	0	0	104.3
332	E	21.9	Very low	24.8	Very low	169 Å²	169	151.5 Å²	151.5	79%	0.79	82%	0.816	S	S	*	*				51.8	116.2	87.1	-80.9	-174.4	-174.7	0	0	115.4
333	E	22	Very low	24.9	Very low	170 Å²	170	152.1 Å²	152.1	79%	0.794	81%	0.814	S	S	*	*			trans	69.9	108.1	152.2	-58.3	-176.4	169.8	0	0	119.2
334	D	27.7	Very low	25.1	Very low	162 Å²	162	148.5 Å²	148.5	87%	0.866	81%	0.808	S	S	*	*				-167.8	124.9	110.1	-94.8	-31.8	0	0	0	111.1	D336	D334-D336 PolarHBondContact O-N 3.27Å
335	E	22.4	Very low	25.6	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	80%	0.804	S	S	*	*			trans	-72.3	110.4	165.7	-72.3	-171.7	146.3	0	0	108.8
336	D	27.4	Very low	26.6	Very low	143 Å²	143	143.6 Å²	143.6	77%	0.765	80%	0.802	S	S	*	*			trans	-146.6	111.7	159.6	-129.9	-24.7	0	0	0	112.1	D334	D334-D336 PolarHBondContact O-N 3.27Å
337	S	25.7	Very low	27.7	Very low	96 Å²	96	143.1 Å²	143.1	67%	0.671	80%	0.797	S	S	*	*			trans	59.5	120.6	147.1	-57.4	0	0	0	0	119.5	S339	S337-S339 PolarHBondContact O-N 3.35Å; S337-S339 VanDerWaalsContact O-N 3.09Å
338	P	29.4	Very low	29.6	Very low	135 Å²	135	145.5 Å²	145.5	88%	0.877	80%	0.795	S	S	*	*			trans	-68.2	113	-175.6	28.5	-33	0	0	0	111.2	E340	P338-E340 PolarHBondContact O-N 2.91Å; P338-E340 VanDerWaalsContact O-N 3.14Å
339	S	26.6	Very low	32.2	Very low	117 Å²	117	147.2 Å²	147.2	82%	0.818	79%	0.791	S	S	*	*			trans	-57	116.4	168.4	60.7	0	0	0	0	109.9	S337 C341	S337-S339 PolarHBondContact O-N 3.35Å; S337-S339 VanDerWaalsContact O-N 3.09Å; S339-C341 PolarHBondContact O-N 2.86Å
340	E	27.7	Very low	35.1	Very low	185 Å²	185	143.6 Å²	143.6	86%	0.864	76%	0.76	S	S	*	*			trans	1.5	106.3	160.8	-66.1	-179.6	156.1	0	0	115.9	P338 H342	P338-E340 PolarHBondContact O-N 2.91Å; P338-E340 VanDerWaalsContact O-N 3.14Å; E340-H342 PolarHBondContact O-N 3.41Å
341	C	23.9	Very low	38.3	Very low	122 Å²	122	142.2 Å²	142.2	82%	0.824	74%	0.744	S	S	*	*			trans	-41.4	125.7	159.3	-163.3	0	0	0	0	110.2	S339 T343	S339-C341 PolarHBondContact O-N 2.86Å; C341-T343 PolarHBondContact O-N 3.17Å; C341-T343 VanDerWaalsContact O-N 3.08Å
342	H	27	Very low	41.4	Very low	184 Å²	184	139.2 Å²	139.2	85%	0.852	72%	0.724	S	S	*	*			trans	-31.7	112.3	177.4	-71.3	-82.5	0	0	0	112.4	E340	E340-H342 PolarHBondContact O-N 3.41Å
343	T	24.8	Very low	44.9	Very low	129 Å²	129	131.2 Å²	131.2	79%	0.791	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-58	128.8	166.8	24.7	0	0	0	0	108	C341 E345	C341-T343 PolarHBondContact O-N 3.17Å; C341-T343 VanDerWaalsContact O-N 3.08Å; T343-E345 PolarHBondContact O-N 3.01Å; T343-E345 VanDerWaalsContact O-N 3.13Å
344	P	32.1	Very low	48.3	Very low	116 Å²	116	125.9 Å²	125.9	75%	0.753	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-62.8	121.3	-179.1	24.3	-31	0	0	0	108	K346	P344-K346 PolarHBondContact O-N 3.3Å
345	E	33.9	Very low	51.6	Low	177 Å²	177	118.1 Å²	118.1	83%	0.827	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-47.6	117.2	175.7	-81.3	-171.3	139.7	0	0	108.9	T343 V347	T343-E345 PolarHBondContact O-N 3.01Å; T343-E345 VanDerWaalsContact O-N 3.13Å; E345-V347 PolarHBondContact O-N 3.29Å
346	K	40	Very low	55	Low	201 Å²	201	110.5 Å²	110.5	87%	0.874	58%	0.581	S	S	*	*			trans	-58.8	103	176.6	-74.6	179.1	178.6	173.8	0	108.2	P344 K348	P344-K346 PolarHBondContact O-N 3.3Å; K346-K348 PolarHBondContact O-N 3.27Å
347	V	46.7	Very low	58.2	Low	104 Å²	104	103.9 Å²	103.9	63%	0.63	55%	0.545	S	S	*	.			trans	-47.1	110.5	173.1	-179.5	0	0	0	0	108.2	E345 K349	E345-V347 PolarHBondContact O-N 3.29Å; V347-K349 PolarHBondContact O-N 3.06Å
348	K	62.1	Low	61.2	Low	147 Å²	147	99.9 Å²	99.9	64%	0.639	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-61.3	125.5	176.8	-79.1	-178.9	179.8	171.4	0	107.9	K346	K346-K348 PolarHBondContact O-N 3.27Å
349	K	78.7	Confident	63.7	Low	174 Å²	174	96.5 Å²	96.5	76%	0.757	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-54	130.9	178	-170.4	177.2	-179	176.2	0	109.5	V347	V347-K349 PolarHBondContact O-N 3.06Å
350	P	86.5	Confident	66.4	Low	13 Å²	13	97 Å²	97	8%	0.084	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-60.9	145.1	179.2	28.1	-39.2	0	0	0	111.2	L301 Y302 V395	L301-P350 WeakPolarHBondContact O-CA 3.35Å; L301-P350 WeakPolarHBondContact O-CB 3.23Å; Y302-P350 HydrophobicContact CD1-CB 4.05Å; Y302-P350 HydrophobicContact CD2-CB 4Å; Y302-P350 HydrophobicContact CE1-CB 3.82Å; Y302-P350 HydrophobicContact CE1-CG 3.96Å; Y302-P350 HydrophobicContact CE2-CB 3.78Å; Y302-P350 HydrophobicContact CE2-CG 4.17Å; Y302-P350 HydrophobicContact CG-CB 4.14Å; P350-V395 HydrophobicContact CG-CG2 4.44Å
351	K	89.7	Confident	69.3	Low	94 Å²	94	91 Å²	91	41%	0.409	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136	-175.3	-65.9	-177.4	179.4	-177.2	0	110.8	Y300 L301 V353	Y300-K351 CarbonylContact C-O 3.45Å; Y300-K351 WeakPolarHBondContact CA-O 3.43Å; L301-K351 HydrophobicContact CB-CB 4.47Å; L301-K351 PolarHBondContact N-O 3Å; L301-K351 PolarHBondContact O-N 3.18Å; K351-V353 PolarHBondContact O-N 3.05Å
352	K	92.9	Very high	72.6	Confident	90 Å²	90	85.1 Å²	85.1	39%	0.391	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.7	172.4	-179.6	167	171.8	154.9	0	110.1	E298 Y300 Y354	E298-K352 VanDerWaalsContact OE1-CE 3.22Å; E298-K352 WeakPolarHBondContact OE1-CE 3.26Å; E298-K352 IonicContact OE1-NZ 3.88Å; E298-K352 PolarHBondContact OE1-NZ 3.25Å; E298-K352 WeakPolarHBondContact OE2-CE 3.38Å; E298-K352 IonicContact OE2-NZ 3.79Å; E298-K352 PolarHBondContact OE2-NZ 3.08Å; Y300-K352 HydrophobicContact CD1-CB 4.29Å; Y300-K352 HydrophobicContact CE1-CB 4.11Å; Y300-K352 HydrophobicContact CE1-CG 4.43Å; K352-Y354 WeakPolarHBondContact CE-OH 3.48Å
353	V	94.9	Very high	75.7	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	169.3	-177.7	-63.2	0	0	0	0	110.9	A299 L301 K351 V364 K365 L376 L413	A299-V353 HydrophobicContact CB-CG2 4.13Å; A299-V353 PolarHBondContact N-O 2.73Å; A299-V353 PolarHBondContact O-N 3.06Å; L301-V353 HydrophobicContact CB-CB 4.46Å; L301-V353 HydrophobicContact CB-CG1 3.71Å; L301-V353 HydrophobicContact CB-CG2 3.86Å; L301-V353 HydrophobicContact CD2-CG1 4.19Å; K351-V353 PolarHBondContact O-N 3.05Å; V353-V364 HydrophobicContact CB-CG1 3.78Å; V353-V364 HydrophobicContact CG1-CG1 4.17Å; V353-V364 HydrophobicContact CG2-CG1 3.71Å; V353-K365 CarbonylContact C-O 3.57Å; V353-K365 WeakPolarHBondContact CA-O 3.37Å; V353-L376 HydrophobicContact CG1-CD1 3.9Å; V353-L413 HydrophobicContact CG2-CD2 4.09Å
354	Y	95.1	Very high	79	Confident	58 Å²	58	70.3 Å²	70.3	23%	0.227	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.7	178.3	-62.9	-92	0	0	0	109.5	Y296 F297 K352 Y356 K365 F367	Y296-Y354 AromaticContact CD2-CD1 3.98Å; Y296-Y354 HydrophobicContact CD2-CD1 3.98Å; Y296-Y354 HydrophobicContact CE2-CD1 4.37Å; F297-Y354 CarbonylContact O-C 3.39Å; F297-Y354 WeakPolarHBondContact O-CA 3.5Å; K352-Y354 WeakPolarHBondContact CE-OH 3.48Å; Y354-Y356 WeakPolarHBondContact O-CD2 3.28Å; Y354-K365 PolarHBondContact N-O 3.41Å; Y354-K365 PolarHBondContact O-N 3.34Å; Y354-F367 AromaticContact CD2-CD2 3.41Å; Y354-F367 HydrophobicContact CD2-CD2 3.41Å; Y354-F367 VanDerWaalsContact CD2-CD2 3.41Å; Y354-F367 AromaticContact CD2-CE2 3.61Å; Y354-F367 HydrophobicContact CD2-CE2 3.61Å; Y354-F367 AromaticContact CE2-CD2 3.59Å; Y354-F367 HydrophobicContact CE2-CD2 3.59Å; Y354-F367 HydrophobicContact CE2-CE2 4.05Å; Y354-F367 HydrophobicContact CG-CD2 4.24Å; Y354-F367 AromaticContact CG-CE2 3.97Å; Y354-F367 HydrophobicContact CG-CE2 3.97Å
355	C	96.1	Very high	81.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.1	-179.3	-60.2	0	0	0	0	109.4	Y296 F297 F362 S363 L421	Y296-C355 CarbonylContact C-O 3.58Å; Y296-C355 WeakPolarHBondContact CA-O 3.46Å; F297-C355 HydrophobicContact CB-CB 4.46Å; F297-C355 PolarHBondContact N-O 3.24Å; F297-C355 PolarHBondContact O-N 3.29Å; C355-F362 HydrophobicContact CB-CE2 3.78Å; C355-F362 HydrophobicContact CB-CZ 3.96Å; C355-S363 CarbonylContact C-O 3.58Å; C355-S363 WeakPolarHBondContact CA-O 3.49Å; C355-L421 HydrophobicContact CB-CD1 3.79Å
356	Y	94.3	Very high	84.5	Confident	36 Å²	36	60.5 Å²	60.5	14%	0.141	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.8	-180	-70.4	-95.4	0	0	0	110.6	I295 Y296 Y354 F362 S363 K365 F367	I295-Y356 CarbonylContact O-C 3.54Å; I295-Y356 WeakPolarHBondContact O-CA 3.48Å; Y296-Y356 HydrophobicContact CD1-CE1 4.46Å; Y296-Y356 HydrophobicContact CG-CE1 4.28Å; Y354-Y356 WeakPolarHBondContact O-CD2 3.28Å; Y356-F362 CarbonylContact O-C 3.53Å; Y356-F362 VanDerWaalsContact O-CA 3.27Å; Y356-F362 WeakPolarHBondContact O-CA 3.29Å; Y356-S363 PolarHBondContact N-O 3.11Å; Y356-S363 PolarHBondContact O-N 2.88Å; Y356-K365 HydrophobicContact CD2-CB 4.35Å; Y356-K365 HydrophobicContact CD2-CD 3.76Å; Y356-K365 HydrophobicContact CD2-CG 3.87Å; Y356-K365 HydrophobicContact CE2-CB 4.07Å; Y356-K365 HydrophobicContact CE2-CD 3.68Å; Y356-K365 HydrophobicContact CE2-CG 3.99Å; Y356-F367 WeakPolarHBondContact OH-CZ 3.39Å
357	V	93.7	Very high	86.6	Confident	3 Å²	3	54 Å²	54	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.5	172.4	-170.8	0	0	0	0	109	I295 F297 F362 T424 F425	I295-V357 PolarHBondContact N-O 2.71Å; I295-V357 PolarHBondContact O-N 2.88Å; F297-V357 HydrophobicContact CD2-CG2 4.28Å; F297-V357 HydrophobicContact CE2-CG2 3.92Å; V357-F362 HydrophobicContact CG2-CD2 3.79Å; V357-F362 HydrophobicContact CG2-CE2 4.14Å; V357-T424 HydrophobicContact CB-CG2 4.19Å; V357-T424 HydrophobicContact CG1-CG2 3.96Å; V357-F425 HydrophobicContact CG1-CB 4.42Å
358	S	88.5	Confident	87.9	Confident	13 Å²	13	56.1 Å²	56.1	9%	0.091	25%	0.251	C	S	.	.			trans	-137.6	164.9	171.6	68.1	0	0	0	0	108.9	K360 Q361 V381	S358-K360 PolarHBondContact O-N 3Å; S358-Q361 PolarHBondContact N-O 2.78Å; S358-Q361 PolarHBondContact O-N 2.81Å; S358-Q361 VanDerWaalsContact OG-CG 3.25Å; S358-Q361 WeakPolarHBondContact OG-CG 3.35Å; S358-Q361 PolarHBondContact OG-N 2.85Å; S358-Q361 PolarHBondContact OG-O 2.81Å; S358-V381 WeakPolarHBondContact O-CG2 3.47Å
359	P	83.4	Confident	88.6	Confident	63 Å²	63	55.3 Å²	55.3	41%	0.409	25%	0.253	S	S	.	.	S	Bend	trans	-57.8	-23.9	177	-27.1	35.7	0	0	0	114.4	N432	P359-N432 PolarHBondContact O-ND2 3.12Å
360	K	82.2	Confident	88.4	Confident	129 Å²	129	56.4 Å²	56.4	56%	0.561	26%	0.258	S	S	*	.	S	Bend	trans	-97	-40	-179.4	-68.2	-166.5	173.6	-164.3	0	113.7	S358 V381 E689	S358-K360 PolarHBondContact O-N 3Å; K360-V381 PolarHBondContact O-N 3.41Å; K360-V381 VanDerWaalsContact O-N 3.16Å; K360-E689 IonicContact NZ-OE1 2.73Å; K360-E689 PolarHBondContact NZ-OE1 3.31Å
361	Q	88.2	Confident	88	Confident	57 Å²	57	62.3 Å²	62.3	27%	0.266	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.5	-168.3	64.5	-174.7	-13.6	0	0	112.4	S358 T378 F379	S358-Q361 PolarHBondContact N-O 2.78Å; S358-Q361 PolarHBondContact O-N 2.81Å; S358-Q361 VanDerWaalsContact OG-CG 3.25Å; S358-Q361 WeakPolarHBondContact OG-CG 3.35Å; S358-Q361 PolarHBondContact OG-N 2.85Å; S358-Q361 PolarHBondContact OG-O 2.81Å; Q361-T378 HydrophobicContact CB-CG2 4.14Å; Q361-F379 CarbonylContact C-O 3.56Å; Q361-F379 VanDerWaalsContact CA-O 3.28Å; Q361-F379 WeakPolarHBondContact CA-O 3.39Å
362	F	93	Very high	87.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.7	163	171.9	-106.5	0	0	0	108	C355 Y356 V357 V364 T378 F379 V403 L413 L421 F425	C355-F362 HydrophobicContact CB-CE2 3.78Å; C355-F362 HydrophobicContact CB-CZ 3.96Å; Y356-F362 CarbonylContact O-C 3.53Å; Y356-F362 VanDerWaalsContact O-CA 3.27Å; Y356-F362 WeakPolarHBondContact O-CA 3.29Å; V357-F362 HydrophobicContact CG2-CD2 3.79Å; V357-F362 HydrophobicContact CG2-CE2 4.14Å; F362-V364 HydrophobicContact CE1-CG2 4.03Å; F362-V364 HydrophobicContact CZ-CG2 4.28Å; F362-T378 CarbonylContact O-C 3.55Å; F362-T378 WeakPolarHBondContact O-CA 3.35Å; F362-F379 HydrophobicContact CB-CB 4.19Å; F362-F379 HydrophobicContact CD1-CB 4.08Å; F362-F379 AromaticContact CD1-CD2 3.44Å; F362-F379 HydrophobicContact CD1-CD2 3.44Å; F362-F379 VanDerWaalsContact CD1-CD2 3.44Å; F362-F379 HydrophobicContact CD1-CE2 4.15Å; F362-F379 HydrophobicContact CD1-CG 4.01Å; F362-F379 AromaticContact CE1-CD2 3.92Å; F362-F379 HydrophobicContact CE1-CD2 3.92Å; F362-F379 HydrophobicContact CE1-CE2 4.16Å; F362-F379 PolarHBondContact N-O 2.86Å; F362-F379 PolarHBondContact O-N 3.35Å; F362-F379 VanDerWaalsContact O-O 3.12Å; F362-V403 HydrophobicContact CD1-CG1 4.29Å; F362-V403 HydrophobicContact CE1-CB 4.4Å; F362-V403 HydrophobicContact CE1-CG1 4.26Å; F362-V403 HydrophobicContact CE1-CG2 3.77Å; F362-V403 HydrophobicContact CZ-CG2 4.29Å; F362-L413 HydrophobicContact CE1-CD1 4.1Å; F362-L413 HydrophobicContact CZ-CD1 3.78Å; F362-L421 HydrophobicContact CE2-CD1 4.39Å; F362-L421 HydrophobicContact CE2-CD2 4.06Å; F362-L421 HydrophobicContact CE2-CG 4.41Å; F362-L421 HydrophobicContact CZ-CD2 4.44Å; F362-F425 HydrophobicContact CB-CD2 3.95Å; F362-F425 HydrophobicContact CB-CE2 3.96Å; F362-F425 HydrophobicContact CG-CD2 4.39Å
363	S	92.3	Very high	87	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.014	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.2	-176.1	62.6	0	0	0	0	112.4	C355 Y356 K365 Y377	C355-S363 CarbonylContact C-O 3.58Å; C355-S363 WeakPolarHBondContact CA-O 3.49Å; Y356-S363 PolarHBondContact N-O 3.11Å; Y356-S363 PolarHBondContact O-N 2.88Å; S363-K365 WeakPolarHBondContact OG-CE 3.43Å; S363-Y377 CarbonylContact C-O 3.51Å; S363-Y377 VanDerWaalsContact CA-O 3.3Å; S363-Y377 WeakPolarHBondContact CA-O 3.32Å; S363-Y377 WeakPolarHBondContact CB-O 3.22Å
364	V	94.1	Very high	86.3	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.2	177.7	-175.8	0	0	0	0	107.7	V353 F362 L376 Y377 L413	V353-V364 HydrophobicContact CB-CG1 3.78Å; V353-V364 HydrophobicContact CG1-CG1 4.17Å; V353-V364 HydrophobicContact CG2-CG1 3.71Å; F362-V364 HydrophobicContact CE1-CG2 4.03Å; F362-V364 HydrophobicContact CZ-CG2 4.28Å; V364-L376 PolarHBondContact O-N 3.46Å; V364-Y377 HydrophobicContact CB-CD2 4.09Å; V364-Y377 HydrophobicContact CG1-CD2 4.38Å; V364-Y377 PolarHBondContact N-O 3.46Å; V364-Y377 PolarHBondContact O-N 2.99Å; V364-Y377 VanDerWaalsContact O-N 3.17Å; V364-L413 HydrophobicContact CG1-CD2 4.26Å; V364-L413 HydrophobicContact CG2-CD1 4.05Å; V364-L413 HydrophobicContact CG2-CD2 4.37Å
365	K	92.5	Very high	85.9	Confident	33 Å²	33	72.1 Å²	72.1	14%	0.143	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.8	-177.2	-50.4	-173.3	-171.1	162.4	0	111.3	V353 Y354 Y356 S363 P373 W374 R375	V353-K365 CarbonylContact C-O 3.57Å; V353-K365 WeakPolarHBondContact CA-O 3.37Å; Y354-K365 PolarHBondContact N-O 3.41Å; Y354-K365 PolarHBondContact O-N 3.34Å; Y356-K365 HydrophobicContact CD2-CB 4.35Å; Y356-K365 HydrophobicContact CD2-CD 3.76Å; Y356-K365 HydrophobicContact CD2-CG 3.87Å; Y356-K365 HydrophobicContact CE2-CB 4.07Å; Y356-K365 HydrophobicContact CE2-CD 3.68Å; Y356-K365 HydrophobicContact CE2-CG 3.99Å; S363-K365 WeakPolarHBondContact OG-CE 3.43Å; K365-P373 HydrophobicContact CD-CB 4.28Å; K365-W374 CarbonylContact C-O 3.51Å; K365-W374 VanDerWaalsContact CA-O 3.23Å; K365-W374 WeakPolarHBondContact CA-O 3.28Å; K365-R375 HydrophobicContact CG-CB 4.35Å
366	E	90.4	Very high	85.4	Confident	54 Å²	54	74.6 Å²	74.6	25%	0.252	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	152.6	167.4	-179.4	171.8	-156.5	0	0	108.7	P373 W374 L376	E366-P373 CarbonylContact O-C 3.59Å; E366-P373 WeakPolarHBondContact O-CA 3.47Å; E366-W374 PolarHBondContact N-O 3.03Å; E366-W374 PolarHBondContact O-N 2.82Å; E366-L376 HydrophobicContact CB-CD1 3.94Å; E366-L376 HydrophobicContact CB-CD2 4.49Å; E366-L376 HydrophobicContact CB-CG 4.23Å
367	F	83.5	Confident	85.1	Confident	63 Å²	63	76 Å²	76	28%	0.276	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.8	174.4	-79.6	-98	0	0	0	110.6	Y354 Y356 I372 P373	Y354-F367 AromaticContact CD2-CD2 3.41Å; Y354-F367 HydrophobicContact CD2-CD2 3.41Å; Y354-F367 VanDerWaalsContact CD2-CD2 3.41Å; Y354-F367 AromaticContact CD2-CE2 3.61Å; Y354-F367 HydrophobicContact CD2-CE2 3.61Å; Y354-F367 AromaticContact CE2-CD2 3.59Å; Y354-F367 HydrophobicContact CE2-CD2 3.59Å; Y354-F367 HydrophobicContact CE2-CE2 4.05Å; Y354-F367 HydrophobicContact CG-CD2 4.24Å; Y354-F367 AromaticContact CG-CE2 3.97Å; Y354-F367 HydrophobicContact CG-CE2 3.97Å; Y356-F367 WeakPolarHBondContact OH-CZ 3.39Å; F367-I372 WeakPolarHBondContact CA-O 3.47Å; F367-P373 HydrophobicContact CD1-CB 4.2Å; F367-P373 HydrophobicContact CE1-CB 3.8Å; F367-P373 HydrophobicContact CE1-CG 4.3Å; F367-P373 HydrophobicContact CZ-CB 4.01Å
368	Y	73.8	Confident	84.8	Confident	150 Å²	150	77.3 Å²	77.3	59%	0.588	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	133.9	170.7	-171.2	-103.8	0	0	0	110.3	K370 I371 I372	Y368-K370 PolarHBondContact O-N 3.22Å; Y368-I371 PolarHBondContact O-N 2.67Å; Y368-I372 PolarHBondContact N-O 3.3Å; Y368-I372 PolarHBondContact O-N 3.33Å
369	L	77.3	Confident	84.8	Confident	129 Å²	129	76.9 Å²	76.9	68%	0.675	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	25.7	-175.1	-65.4	170.2	0	0	0	114	I371	L369-I371 PolarHBondContact O-N 3.01Å
370	K	73.5	Confident	84.8	Confident	198 Å²	198	76 Å²	76	86%	0.861	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	8.5	-173.8	-53.4	179.3	177.1	178	0	115.8	Y368	Y368-K370 PolarHBondContact O-N 3.22Å
371	I	78.5	Confident	85.1	Confident	137 Å²	137	70.1 Å²	70.1	70%	0.703	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	-43.5	-174.1	-58.8	169.2	0	0	0	112.1	Y368 L369 P373	Y368-I371 PolarHBondContact O-N 2.67Å; L369-I371 PolarHBondContact O-N 3.01Å; I371-P373 WeakPolarHBondContact O-CD 3.45Å
372	I	79.7	Confident	84.8	Confident	104 Å²	104	68.2 Å²	68.2	53%	0.533	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.9	-171.7	-58.4	173.3	0	0	0	109.2	F367 Y368 W374	F367-I372 WeakPolarHBondContact CA-O 3.47Å; Y368-I372 PolarHBondContact N-O 3.3Å; Y368-I372 PolarHBondContact O-N 3.33Å; I372-W374 PolarHBondContact O-N 2.98Å
373	P	81.3	Confident	84.1	Confident	71 Å²	71	69 Å²	69	46%	0.461	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	116.9	176.2	28.5	-32.6	0	0	0	110.2	K365 E366 F367 I371	K365-P373 HydrophobicContact CD-CB 4.28Å; E366-P373 CarbonylContact O-C 3.59Å; E366-P373 WeakPolarHBondContact O-CA 3.47Å; F367-P373 HydrophobicContact CD1-CB 4.2Å; F367-P373 HydrophobicContact CE1-CB 3.8Å; F367-P373 HydrophobicContact CE1-CG 4.3Å; F367-P373 HydrophobicContact CZ-CB 4.01Å; I371-P373 WeakPolarHBondContact O-CD 3.45Å
374	W	82.1	Confident	83.4	Confident	166 Å²	166	70.8 Å²	70.8	63%	0.629	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.4	169.4	-166.7	15.5	0	0	0	110	K365 E366 I372 L376	K365-W374 CarbonylContact C-O 3.51Å; K365-W374 VanDerWaalsContact CA-O 3.23Å; K365-W374 WeakPolarHBondContact CA-O 3.28Å; E366-W374 PolarHBondContact N-O 3.03Å; E366-W374 PolarHBondContact O-N 2.82Å; I372-W374 PolarHBondContact O-N 2.98Å; W374-L376 HydrophobicContact CD2-CD2 4.5Å; W374-L376 PolarHBondContact O-N 3.48Å
375	R	85.1	Confident	83.1	Confident	107 Å²	107	71.1 Å²	71.1	40%	0.404	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	115.2	179.3	179.9	-171.8	-69.3	-133.7	10.3	109.9	K365 T378	K365-R375 HydrophobicContact CG-CB 4.35Å; R375-T378 WeakPolarHBondContact CD-OG1 3.32Å; R375-T378 WeakPolarHBondContact CG-OG1 3.34Å; R375-T378 PolarHBondContact NH1-OG1 2.81Å
376	L	86.6	Confident	83	Confident	51 Å²	51	73.1 Å²	73.1	27%	0.267	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-51.3	179.6	-59.3	-179.6	0	0	0	111.1	L301 V353 V364 E366 W374	L301-L376 HydrophobicContact CD2-CD1 3.8Å; V353-L376 HydrophobicContact CG1-CD1 3.9Å; V364-L376 PolarHBondContact O-N 3.46Å; E366-L376 HydrophobicContact CB-CD1 3.94Å; E366-L376 HydrophobicContact CB-CD2 4.49Å; E366-L376 HydrophobicContact CB-CG 4.23Å; W374-L376 HydrophobicContact CD2-CD2 4.5Å; W374-L376 PolarHBondContact O-N 3.48Å
377	Y	87.4	Confident	83.3	Confident	66 Å²	66	71.3 Å²	71.3	26%	0.259	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.6	-177.6	-56.4	-85.7	0	0	0	110.9	L301 S363 V364 V411	L301-Y377 HydrophobicContact CD1-CE2 4.03Å; L301-Y377 HydrophobicContact CD2-CE2 3.82Å; S363-Y377 CarbonylContact C-O 3.51Å; S363-Y377 VanDerWaalsContact CA-O 3.3Å; S363-Y377 WeakPolarHBondContact CA-O 3.32Å; S363-Y377 WeakPolarHBondContact CB-O 3.22Å; V364-Y377 HydrophobicContact CB-CD2 4.09Å; V364-Y377 HydrophobicContact CG1-CD2 4.38Å; V364-Y377 PolarHBondContact N-O 3.46Å; V364-Y377 PolarHBondContact O-N 2.99Å; V364-Y377 VanDerWaalsContact O-N 3.17Å; Y377-V411 HydrophobicContact CD1-CG2 3.51Å; Y377-V411 HydrophobicContact CD2-CG1 4.16Å; Y377-V411 HydrophobicContact CD2-CG2 4.09Å; Y377-V411 HydrophobicContact CE1-CG2 3.63Å; Y377-V411 HydrophobicContact CE2-CG1 4.35Å; Y377-V411 HydrophobicContact CE2-CG2 4.22Å; Y377-V411 HydrophobicContact CG-CG1 4.48Å; Y377-V411 HydrophobicContact CG-CG2 3.75Å
378	T	87.1	Confident	83.8	Confident	31 Å²	31	70 Å²	70	19%	0.19	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	127.1	171.3	-64.4	0	0	0	0	108.4	Q361 F362 R375 Q408	Q361-T378 HydrophobicContact CB-CG2 4.14Å; F362-T378 CarbonylContact O-C 3.55Å; F362-T378 WeakPolarHBondContact O-CA 3.35Å; R375-T378 WeakPolarHBondContact CD-OG1 3.32Å; R375-T378 WeakPolarHBondContact CG-OG1 3.34Å; R375-T378 PolarHBondContact NH1-OG1 2.81Å; T378-Q408 PolarHBondContact O-NE2 3.26Å
379	F	88.4	Confident	84.8	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	155.5	176.5	-57.4	-95.7	0	0	0	107.8	Q361 F362 T385 V403 D405 Q408 V411	Q361-F379 CarbonylContact C-O 3.56Å; Q361-F379 VanDerWaalsContact CA-O 3.28Å; Q361-F379 WeakPolarHBondContact CA-O 3.39Å; F362-F379 HydrophobicContact CB-CB 4.19Å; F362-F379 HydrophobicContact CD1-CB 4.08Å; F362-F379 AromaticContact CD1-CD2 3.44Å; F362-F379 HydrophobicContact CD1-CD2 3.44Å; F362-F379 VanDerWaalsContact CD1-CD2 3.44Å; F362-F379 HydrophobicContact CD1-CE2 4.15Å; F362-F379 HydrophobicContact CD1-CG 4.01Å; F362-F379 AromaticContact CE1-CD2 3.92Å; F362-F379 HydrophobicContact CE1-CD2 3.92Å; F362-F379 HydrophobicContact CE1-CE2 4.16Å; F362-F379 PolarHBondContact N-O 2.86Å; F362-F379 PolarHBondContact O-N 3.35Å; F362-F379 VanDerWaalsContact O-O 3.12Å; F379-T385 HydrophobicContact CB-CG2 3.97Å; F379-T385 HydrophobicContact CD1-CG2 4.11Å; F379-T385 HydrophobicContact CG-CG2 4.33Å; F379-V403 HydrophobicContact CD1-CG1 3.56Å; F379-V403 HydrophobicContact CD2-CG1 4.08Å; F379-V403 HydrophobicContact CE1-CB 4.11Å; F379-V403 HydrophobicContact CE1-CG1 3.51Å; F379-V403 HydrophobicContact CE2-CB 4.31Å; F379-V403 HydrophobicContact CE2-CG1 4.02Å; F379-V403 HydrophobicContact CG-CG1 3.84Å; F379-V403 HydrophobicContact CZ-CB 3.93Å; F379-V403 HydrophobicContact CZ-CG1 3.73Å; F379-D405 HydrophobicContact CD1-CB 3.99Å; F379-D405 WeakPolarHBondContact CD1-OD2 3.34Å; F379-D405 HydrophobicContact CE1-CB 4.48Å; F379-Q408 VanDerWaalsContact CD1-NE2 3.31Å; F379-Q408 HydrophobicContact CE1-CG 4.07Å; F379-Q408 HydrophobicContact CZ-CG 4.32Å; F379-V411 HydrophobicContact CE2-CB 4.3Å; F379-V411 HydrophobicContact CE2-CG2 4.16Å; F379-V411 HydrophobicContact CZ-CB 3.8Å; F379-V411 HydrophobicContact CZ-CG2 3.56Å
380	R	84.1	Confident	85.5	Confident	45 Å²	45	60.8 Å²	60.8	17%	0.17	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	149	171.7	-170.4	-179.8	-171	172.6	22.9	110.1	C382 T385 I589 L591	R380-C382 VanDerWaalsContact C-N 3.3Å; R380-C382 HydrophobicContact CB-CB 4.45Å; R380-C382 HydrophobicContact CG-CB 4.01Å; R380-C382 PolarHBondContact O-N 3.07Å; R380-C382 VanDerWaalsContact O-N 3.15Å; R380-T385 WeakPolarHBondContact O-CB 3.2Å; R380-T385 PolarHBondContact O-OG1 3.15Å; R380-I589 PolarHBondContact NH1-O 3.19Å; R380-I589 PolarHBondContact NH2-O 3.14Å; R380-L591 HydrophobicContact CB-CD2 4.25Å
381	V	87.9	Confident	86.2	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.03	27%	0.269	C	S	.	.	S	Bend	trans	-83	81.6	165.1	-175	0	0	0	0	108.7	S358 K360 F425 L429 N432	S358-V381 WeakPolarHBondContact O-CG2 3.47Å; K360-V381 PolarHBondContact O-N 3.41Å; K360-V381 VanDerWaalsContact O-N 3.16Å; V381-F425 HydrophobicContact CB-CE2 4.05Å; V381-F425 HydrophobicContact CB-CZ 4.49Å; V381-F425 HydrophobicContact CG1-CD2 4.34Å; V381-F425 HydrophobicContact CG1-CE2 4.11Å; V381-F425 HydrophobicContact CG1-CZ 4.31Å; V381-F425 HydrophobicContact CG2-CD2 3.89Å; V381-F425 HydrophobicContact CG2-CE2 3.68Å; V381-L429 HydrophobicContact CG1-CB 3.85Å; V381-N432 PolarHBondContact O-ND2 3.3Å
382	C	82.2	Confident	86.7	Confident	17 Å²	17	49.3 Å²	49.3	12%	0.115	26%	0.257	C	S	.	.	S	Bend	trans	-142.6	166.9	178.4	65.5	0	0	0	0	110.4	R380 G384 T385 L429	R380-C382 VanDerWaalsContact C-N 3.3Å; R380-C382 HydrophobicContact CB-CB 4.45Å; R380-C382 HydrophobicContact CG-CB 4.01Å; R380-C382 PolarHBondContact O-N 3.07Å; R380-C382 VanDerWaalsContact O-N 3.15Å; C382-G384 PolarHBondContact O-N 3.37Å; C382-T385 PolarHBondContact O-N 3.48Å; C382-L429 VanDerWaalsContact C-CD1 3.41Å; C382-L429 VanDerWaalsContact CA-CD1 3.44Å
383	P	78.8	Confident	87.2	Confident	16 Å²	16	44.5 Å²	44.5	10%	0.104	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.4	-178.1	-24.5	35.8	0	0	0	115	T385 K386 L429 I433	P383-T385 VanDerWaalsContact C-N 3.3Å; P383-T385 PolarHBondContact O-N 2.93Å; P383-K386 WeakPolarHBondContact O-CD 3.12Å; P383-K386 WeakPolarHBondContact O-CE 3.48Å; P383-K386 PolarHBondContact O-NZ 2.95Å; P383-L429 HydrophobicContact CG-CD1 4.07Å; P383-I433 HydrophobicContact CG-CD1 4.41Å; P383-I433 HydrophobicContact CG-CG2 4.11Å
384	G	78.1	Confident	87.5	Confident	40 Å²	40	45.6 Å²	45.6	41%	0.412	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.9	178	0	0	0	0	0	114.5	C382 K386	C382-G384 PolarHBondContact O-N 3.37Å; G384-K386 PolarHBondContact O-N 3.16Å
385	T	87.8	Confident	87.8	Confident	6 Å²	6	41.2 Å²	41.2	4%	0.037	23%	0.231	C	C	.	.	S	Bend	trans	-89.3	103.4	173.7	-56.1	0	0	0	0	108.9	F379 R380 C382 P383 F387 V403 D404 F425	F379-T385 HydrophobicContact CB-CG2 3.97Å; F379-T385 HydrophobicContact CD1-CG2 4.11Å; F379-T385 HydrophobicContact CG-CG2 4.33Å; R380-T385 WeakPolarHBondContact O-CB 3.2Å; R380-T385 PolarHBondContact O-OG1 3.15Å; C382-T385 PolarHBondContact O-N 3.48Å; P383-T385 VanDerWaalsContact C-N 3.3Å; P383-T385 PolarHBondContact O-N 2.93Å; T385-F387 HydrophobicContact CG2-CE1 4.11Å; T385-V403 HydrophobicContact CG2-CG1 3.59Å; T385-D404 CarbonylContact C-O 3.43Å; T385-D404 WeakPolarHBondContact CA-O 3.35Å; T385-F425 HydrophobicContact CG2-CE2 4.15Å; T385-F425 HydrophobicContact CG2-CZ 3.74Å
386	K	90.4	Very high	88.1	Confident	75 Å²	75	38.9 Å²	38.9	33%	0.326	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	145.2	-177.3	-54.8	-61.9	-170.5	-170.5	0	111.5	P383 G384 D404 E818	P383-K386 WeakPolarHBondContact O-CD 3.12Å; P383-K386 WeakPolarHBondContact O-CE 3.48Å; P383-K386 PolarHBondContact O-NZ 2.95Å; G384-K386 PolarHBondContact O-N 3.16Å; K386-D404 PolarHBondContact N-O 3.05Å; K386-D404 PolarHBondContact O-N 3.26Å; K386-E818 IonicContact NZ-OE2 3.76Å; K386-E818 PolarHBondContact NZ-OE2 2.79Å
387	F	95.1	Very high	88.4	Confident	16 Å²	16	43.7 Å²	43.7	7%	0.07	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.1	175.7	-76.4	17.2	0	0	0	108.9	T385 L401 V402 V403 L421 A422 F425	T385-F387 HydrophobicContact CG2-CE1 4.11Å; F387-L401 HydrophobicContact CD2-CD1 4.49Å; F387-L401 HydrophobicContact CD2-CD2 3.97Å; F387-L401 HydrophobicContact CE2-CD2 4.11Å; F387-V402 CarbonylContact C-O 3.49Å; F387-V402 WeakPolarHBondContact CA-O 3.39Å; F387-V403 HydrophobicContact CD1-CB 4.3Å; F387-V403 HydrophobicContact CD1-CG1 3.98Å; F387-V403 HydrophobicContact CD1-CG2 3.89Å; F387-V403 HydrophobicContact CE1-CB 4.13Å; F387-V403 HydrophobicContact CE1-CG1 3.58Å; F387-V403 HydrophobicContact CE1-CG2 3.59Å; F387-V403 HydrophobicContact CZ-CG2 4.01Å; F387-L421 HydrophobicContact CE2-CD2 3.76Å; F387-L421 HydrophobicContact CZ-CD2 4.29Å; F387-A422 HydrophobicContact CD2-CB 3.83Å; F387-A422 HydrophobicContact CE2-CB 4.12Å; F387-F425 HydrophobicContact CE1-CD1 4.07Å; F387-F425 HydrophobicContact CE1-CD2 4.31Å; F387-F425 HydrophobicContact CE1-CE1 4.16Å; F387-F425 HydrophobicContact CE1-CE2 4.37Å; F387-F425 HydrophobicContact CE1-CG 4.17Å; F387-F425 HydrophobicContact CE1-CZ 4.33Å; F387-F425 HydrophobicContact CE2-CB 4.02Å; F387-F425 HydrophobicContact CE2-CD1 4.23Å; F387-F425 HydrophobicContact CE2-CG 4.09Å; F387-F425 HydrophobicContact CZ-CB 3.94Å; F387-F425 AromaticContact CZ-CD1 3.85Å; F387-F425 HydrophobicContact CZ-CD1 3.85Å; F387-F425 AromaticContact CZ-CD2 3.89Å; F387-F425 HydrophobicContact CZ-CD2 3.89Å; F387-F425 HydrophobicContact CZ-CE1 4.39Å; F387-F425 HydrophobicContact CZ-CE2 4.39Å; F387-F425 AromaticContact CZ-CG 3.61Å; F387-F425 HydrophobicContact CZ-CG 3.61Å
388	S	94.5	Very high	88.6	Confident	36 Å²	36	42.5 Å²	42.5	25%	0.252	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.7	168.9	-59.2	0	0	0	0	109.7	L401 V402 M822	S388-L401 CarbonylContact O-C 3.53Å; S388-L401 WeakPolarHBondContact O-CA 3.36Å; S388-L401 WeakPolarHBondContact O-CB 3.19Å; S388-V402 PolarHBondContact N-O 3.37Å; S388-V402 PolarHBondContact O-N 2.81Å; S388-M822 WeakPolarHBondContact OG-CE 3.29Å
389	Y	94.5	Very high	89	Confident	15 Å²	15	43.7 Å²	43.7	6%	0.059	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.3	-175.2	-54.3	-84.4	0	0	0	110.6	L218 C254 I274 A422	L218-Y389 HydrophobicContact CB-CD2 4.48Å; L218-Y389 HydrophobicContact CD1-CD2 3.96Å; C254-Y389 HydrophobicContact CB-CD1 4.06Å; C254-Y389 HydrophobicContact CB-CD2 4.16Å; C254-Y389 HydrophobicContact CB-CE1 4.45Å; C254-Y389 HydrophobicContact CB-CG 3.9Å; C254-Y389 VanDerWaalsContact SG-CD1 3.53Å; I274-Y389 WeakPolarHBondContact CD1-OH 3.39Å; Y389-A422 HydrophobicContact CE1-CB 3.86Å
390	L	91.6	Very high	89.2	Confident	70 Å²	70	43.6 Å²	43.6	37%	0.366	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	166	179.5	-58	-176.3	0	0	0	111	T400 V402 R418	L390-T400 HydrophobicContact CB-CG2 4.27Å; L390-T400 HydrophobicContact CD1-CG2 4.19Å; L390-T400 PolarHBondContact N-O 2.81Å; L390-T400 VanDerWaalsContact O-O 3.1Å; L390-V402 HydrophobicContact CD1-CG2 3.59Å; L390-V402 HydrophobicContact CG-CG2 4.19Å; L390-R418 PolarHBondContact O-NH1 3.45Å
391	G	88.2	Confident	89.8	Confident	23 Å²	23	41.5 Å²	41.5	24%	0.237	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-174.8	173.2	0	0	0	0	0	113.8	T400	G391-T400 WeakPolarHBondContact O-CB 3.48Å; G391-T400 PolarHBondContact O-N 3.03Å; G391-T400 PolarHBondContact O-OG1 2.91Å
392	P	90.5	Very high	90.2	Very high	72 Å²	72	42.3 Å²	42.3	47%	0.468	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	137.5	178.4	-21.5	33.1	0	0	0	113	L398 L399	P392-L398 CarbonylContact C-O 3.54Å; P392-L398 WeakPolarHBondContact CA-O 3.28Å; P392-L399 HydrophobicContact CG-CD2 4.35Å
393	D	89.6	Confident	90.8	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.011	24%	0.238	C	C	.	.			trans	-67.3	149.4	177.9	80.3	98.5	0	0	0	112.1	Y302 V395 H396 K397 L398 S414	Y302-D393 HydrophobicContact CE2-CB 3.96Å; Y302-D393 PolarHBondContact OH-OD1 3.32Å; D393-V395 VanDerWaalsContact C-N 3.26Å; D393-V395 PolarHBondContact O-N 3.41Å; D393-V395 PolarHBondContact OD1-N 2.75Å; D393-H396 IonicContact OD1-CG 3.8Å; D393-H396 PolarHBondContact OD1-N 3.07Å; D393-H396 IonicContact OD1-ND1 2.97Å; D393-H396 PolarHBondContact OD1-ND1 2.64Å; D393-K397 VanDerWaalsContact O-CA 3.27Å; D393-K397 WeakPolarHBondContact O-CA 3.38Å; D393-K397 PolarHBondContact O-N 3.04Å; D393-K397 PolarHBondContact OD2-N 3.44Å; D393-L398 PolarHBondContact N-O 2.86Å; D393-L398 WeakPolarHBondContact OD2-CA 3.34Å; D393-L398 PolarHBondContact OD2-N 3.14Å; D393-L398 VanDerWaalsContact OD2-O 3.13Å; D393-S414 VanDerWaalsContact CG-OG 3.31Å; D393-S414 PolarHBondContact OD2-OG 2.63Å
394	P	87.3	Confident	91.3	Very high	94 Å²	94	42.1 Å²	42.1	61%	0.61	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-26.2	-172.5	24.7	-34	0	0	0	113.7	K397	P394-K397 PolarHBondContact O-NZ 2.97Å
395	V	89.7	Confident	91.6	Very high	75 Å²	75	41.4 Å²	41.4	46%	0.455	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-52.8	-170.5	-179.7	0	0	0	0	112.6	P350 D393	P350-V395 HydrophobicContact CG-CG2 4.44Å; D393-V395 VanDerWaalsContact C-N 3.26Å; D393-V395 PolarHBondContact O-N 3.41Å; D393-V395 PolarHBondContact OD1-N 2.75Å
396	H	91.2	Very high	90.9	Very high	58 Å²	58	42.4 Å²	42.4	27%	0.269	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-8.4	-175.3	-54.3	94.7	0	0	0	113.1	Y300 D393 L398	Y300-H396 AromaticContact CD1-CE1 3.4Å; Y300-H396 WeakPolarHBondContact CD1-CE1 3.48Å; Y300-H396 AromaticContact CD1-NE2 3.72Å; Y300-H396 AromaticContact CD2-CE1 3.92Å; Y300-H396 AromaticContact CD2-ND1 3.85Å; Y300-H396 AromaticContact CE1-CE1 3.61Å; Y300-H396 AromaticContact CE1-NE2 3.39Å; Y300-H396 WeakPolarHBondContact CE1-NE2 3.32Å; Y300-H396 AromaticContact CE2-CD2 3.9Å; Y300-H396 AromaticContact CE2-NE2 3.99Å; Y300-H396 AromaticContact CG-CE1 3.57Å; Y300-H396 AromaticContact CG-ND1 3.81Å; Y300-H396 AromaticContact CZ-CD2 3.79Å; Y300-H396 AromaticContact CZ-CE1 3.97Å; Y300-H396 AromaticContact CZ-NE2 3.54Å; D393-H396 IonicContact OD1-CG 3.8Å; D393-H396 PolarHBondContact OD1-N 3.07Å; D393-H396 IonicContact OD1-ND1 2.97Å; D393-H396 PolarHBondContact OD1-ND1 2.64Å; H396-L398 HydrophobicContact CB-CD1 3.95Å; H396-L398 HydrophobicContact CB-CG 3.83Å; H396-L398 PolarHBondContact O-N 2.93Å
397	K	91.2	Very high	89.8	Confident	151 Å²	151	40.9 Å²	40.9	66%	0.657	23%	0.233	S	C	*	.			trans	57.3	30.6	-177.8	-52.3	-61.4	-176.8	-171.7	0	112.9	D393 P394	D393-K397 VanDerWaalsContact O-CA 3.27Å; D393-K397 WeakPolarHBondContact O-CA 3.38Å; D393-K397 PolarHBondContact O-N 3.04Å; D393-K397 PolarHBondContact OD2-N 3.44Å; P394-K397 PolarHBondContact O-NZ 2.97Å
398	L	93.2	Very high	88.6	Confident	42 Å²	42	42 Å²	42	22%	0.22	24%	0.239	C	C	.	.			trans	-99.2	150.9	175.9	-51.5	173	0	0	0	109.6	Y300 P392 D393 H396 T400 S414 K416	Y300-L398 HydrophobicContact CD2-CD1 4.15Å; Y300-L398 HydrophobicContact CE2-CD1 4.05Å; P392-L398 CarbonylContact C-O 3.54Å; P392-L398 WeakPolarHBondContact CA-O 3.28Å; D393-L398 PolarHBondContact N-O 2.86Å; D393-L398 WeakPolarHBondContact OD2-CA 3.34Å; D393-L398 PolarHBondContact OD2-N 3.14Å; D393-L398 VanDerWaalsContact OD2-O 3.13Å; H396-L398 HydrophobicContact CB-CD1 3.95Å; H396-L398 HydrophobicContact CB-CG 3.83Å; H396-L398 PolarHBondContact O-N 2.93Å; L398-T400 PolarHBondContact O-OG1 3.3Å; L398-S414 WeakPolarHBondContact CB-OG 3.26Å; L398-K416 HydrophobicContact CD1-CB 4.39Å; L398-K416 HydrophobicContact CD2-CB 4.14Å; L398-K416 HydrophobicContact CD2-CG 4.43Å
399	L	93.8	Very high	87.8	Confident	56 Å²	56	43.5 Å²	43.5	29%	0.293	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	140.2	176.2	-65.4	172.1	0	0	0	111.4	P392 C415 R418	P392-L399 HydrophobicContact CG-CD2 4.35Å; L399-C415 PolarHBondContact O-N 3.07Å; L399-C415 VanDerWaalsContact O-N 3.07Å; L399-R418 HydrophobicContact CB-CB 4.02Å; L399-R418 HydrophobicContact CB-CG 4.43Å
400	T	94.6	Very high	87.5	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.4	-175	-55	0	0	0	0	111	L390 G391 L398 E412 L413 R418	L390-T400 HydrophobicContact CB-CG2 4.27Å; L390-T400 HydrophobicContact CD1-CG2 4.19Å; L390-T400 PolarHBondContact N-O 2.81Å; L390-T400 VanDerWaalsContact O-O 3.1Å; G391-T400 WeakPolarHBondContact O-CB 3.48Å; G391-T400 PolarHBondContact O-N 3.03Å; G391-T400 PolarHBondContact O-OG1 2.91Å; L398-T400 PolarHBondContact O-OG1 3.3Å; T400-E412 HydrophobicContact CG2-CG 3.49Å; T400-E412 VanDerWaalsContact CG2-CG 3.49Å; T400-L413 WeakPolarHBondContact CA-O 3.3Å; T400-R418 WeakPolarHBondContact O-CD 3.41Å; T400-R418 PolarHBondContact O-NH1 2.93Å
401	L	95.8	Very high	87.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.9	165.6	64.1	80.6	0	0	0	110.3	F387 S388 V403 L413 R418 L421 A422	F387-L401 HydrophobicContact CD2-CD1 4.49Å; F387-L401 HydrophobicContact CD2-CD2 3.97Å; F387-L401 HydrophobicContact CE2-CD2 4.11Å; S388-L401 CarbonylContact O-C 3.53Å; S388-L401 WeakPolarHBondContact O-CA 3.36Å; S388-L401 WeakPolarHBondContact O-CB 3.19Å; L401-V403 HydrophobicContact CD1-CG2 3.32Å; L401-L413 HydrophobicContact CD1-CB 4.2Å; L401-L413 HydrophobicContact CD1-CD1 4.28Å; L401-L413 PolarHBondContact N-O 2.77Å; L401-L413 PolarHBondContact O-N 3.48Å; L401-R418 HydrophobicContact CB-CG 4.16Å; L401-R418 HydrophobicContact CD2-CG 3.66Å; L401-R418 HydrophobicContact CG-CG 4.12Å; L401-L421 HydrophobicContact CD2-CD2 3.87Å; L401-A422 HydrophobicContact CD2-CB 4.44Å
402	V	95.4	Very high	87.8	Confident	23 Å²	23	43.7 Å²	43.7	14%	0.139	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.3	170	178.3	0	0	0	0	108	F387 S388 L390 P410 V411 E412	F387-V402 CarbonylContact C-O 3.49Å; F387-V402 WeakPolarHBondContact CA-O 3.39Å; S388-V402 PolarHBondContact N-O 3.37Å; S388-V402 PolarHBondContact O-N 2.81Å; L390-V402 HydrophobicContact CD1-CG2 3.59Å; L390-V402 HydrophobicContact CG-CG2 4.19Å; V402-P410 HydrophobicContact CG1-CB 3.45Å; V402-P410 VanDerWaalsContact CG1-CB 3.45Å; V402-V411 WeakPolarHBondContact CA-O 3.37Å; V402-E412 HydrophobicContact CG2-CB 4.21Å; V402-E412 HydrophobicContact CG2-CG 4.17Å
403	V	94.9	Very high	88.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.2	172.7	-172.9	0	0	0	0	108.9	F362 F379 T385 F387 L401 P410 V411 L413	F362-V403 HydrophobicContact CD1-CG1 4.29Å; F362-V403 HydrophobicContact CE1-CB 4.4Å; F362-V403 HydrophobicContact CE1-CG1 4.26Å; F362-V403 HydrophobicContact CE1-CG2 3.77Å; F362-V403 HydrophobicContact CZ-CG2 4.29Å; F379-V403 HydrophobicContact CD1-CG1 3.56Å; F379-V403 HydrophobicContact CD2-CG1 4.08Å; F379-V403 HydrophobicContact CE1-CB 4.11Å; F379-V403 HydrophobicContact CE1-CG1 3.51Å; F379-V403 HydrophobicContact CE2-CB 4.31Å; F379-V403 HydrophobicContact CE2-CG1 4.02Å; F379-V403 HydrophobicContact CG-CG1 3.84Å; F379-V403 HydrophobicContact CZ-CB 3.93Å; F379-V403 HydrophobicContact CZ-CG1 3.73Å; T385-V403 HydrophobicContact CG2-CG1 3.59Å; F387-V403 HydrophobicContact CD1-CB 4.3Å; F387-V403 HydrophobicContact CD1-CG1 3.98Å; F387-V403 HydrophobicContact CD1-CG2 3.89Å; F387-V403 HydrophobicContact CE1-CB 4.13Å; F387-V403 HydrophobicContact CE1-CG1 3.58Å; F387-V403 HydrophobicContact CE1-CG2 3.59Å; F387-V403 HydrophobicContact CZ-CG2 4.01Å; L401-V403 HydrophobicContact CD1-CG2 3.32Å; V403-P410 WeakPolarHBondContact O-CA 3.33Å; V403-V411 PolarHBondContact N-O 2.83Å; V403-V411 PolarHBondContact O-N 3.49Å; V403-L413 HydrophobicContact CG2-CD1 4.14Å
404	D	90.4	Very high	88.4	Confident	28 Å²	28	40.2 Å²	40.2	15%	0.15	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.9	178.7	-169.5	5	0	0	0	110.1	T385 K386 G406 P410	T385-D404 CarbonylContact C-O 3.43Å; T385-D404 WeakPolarHBondContact CA-O 3.35Å; K386-D404 PolarHBondContact N-O 3.05Å; K386-D404 PolarHBondContact O-N 3.26Å; D404-G406 PolarHBondContact OD1-N 3.45Å; D404-P410 HydrophobicContact CB-CB 4.28Å; D404-P410 HydrophobicContact CB-CG 4.36Å
405	D	83.1	Confident	88.8	Confident	26 Å²	26	35.9 Å²	35.9	14%	0.139	20%	0.196	C	C	.	.			trans	-119.7	6.7	173	59	9.6	0	0	0	112.3	F379 I407 Q408	F379-D405 HydrophobicContact CD1-CB 3.99Å; F379-D405 WeakPolarHBondContact CD1-OD2 3.34Å; F379-D405 HydrophobicContact CE1-CB 4.48Å; D405-I407 HydrophobicContact CB-CD1 4.47Å; D405-I407 WeakPolarHBondContact O-CG1 3.38Å; D405-I407 PolarHBondContact O-N 3.48Å; D405-I407 VanDerWaalsContact O-N 3.09Å; D405-I407 WeakPolarHBondContact OD1-CA 3.25Å; D405-I407 WeakPolarHBondContact OD1-CB 3.43Å; D405-I407 PolarHBondContact OD1-N 2.93Å; D405-Q408 PolarHBondContact OD1-N 3.15Å; D405-Q408 PolarHBondContact OD2-NE2 3.38Å
406	G	73.2	Confident	89	Confident	26 Å²	26	40.8 Å²	40.8	27%	0.268	21%	0.211	S	C	.	.	S	Bend	trans	69	-2.5	-175.3	0	0	0	0	0	114.6	D404 K596	D404-G406 PolarHBondContact OD1-N 3.45Å; G406-K596 PolarHBondContact O-NZ 3.5Å; G406-K596 VanDerWaalsContact O-NZ 3.13Å
407	I	67.6	Low	89.2	Confident	43 Å²	43	42.3 Å²	42.3	22%	0.221	22%	0.218	C	C	.	.	S	Bend	trans	-104.6	-37.6	-172.7	-64.8	161.5	0	0	0	111.1	D405 H594	D405-I407 HydrophobicContact CB-CD1 4.47Å; D405-I407 WeakPolarHBondContact O-CG1 3.38Å; D405-I407 PolarHBondContact O-N 3.48Å; D405-I407 VanDerWaalsContact O-N 3.09Å; D405-I407 WeakPolarHBondContact OD1-CA 3.25Å; D405-I407 WeakPolarHBondContact OD1-CB 3.43Å; D405-I407 PolarHBondContact OD1-N 2.93Å; I407-H594 HydrophobicContact CG2-CB 3.97Å; I407-H594 PolarHBondContact O-CD2 2.79Å; I407-H594 PolarHBondContact O-NE2 2.83Å
408	Q	71.3	Confident	89.4	Confident	41 Å²	41	35.3 Å²	35.3	19%	0.192	19%	0.188	C	C	.	.	S	Bend	trans	-121.9	162.5	175.6	66.2	-159.6	-28.1	0	0	110.5	T378 F379 D405	T378-Q408 PolarHBondContact O-NE2 3.26Å; F379-Q408 VanDerWaalsContact CD1-NE2 3.31Å; F379-Q408 HydrophobicContact CE1-CG 4.07Å; F379-Q408 HydrophobicContact CZ-CG 4.32Å; D405-Q408 PolarHBondContact OD1-N 3.15Å; D405-Q408 PolarHBondContact OD2-NE2 3.38Å
409	P	76.9	Confident	89.6	Confident	66 Å²	66	34.1 Å²	34.1	43%	0.429	18%	0.182	S	C	.	.			trans	-50.5	133.9	172.2	-26.8	35.4	0	0	0	109.9	V411	P409-V411 PolarHBondContact O-N 3.09Å
410	P	88.1	Confident	89.7	Confident	66 Å²	66	31.9 Å²	31.9	43%	0.429	17%	0.17	S	C	.	.			trans	-53.1	139.6	-179.3	-26.5	33.2	0	0	0	111.5	V402 V403 D404	V402-P410 HydrophobicContact CG1-CB 3.45Å; V402-P410 VanDerWaalsContact CG1-CB 3.45Å; V403-P410 WeakPolarHBondContact O-CA 3.33Å; D404-P410 HydrophobicContact CB-CB 4.28Å; D404-P410 HydrophobicContact CB-CG 4.36Å
411	V	91.4	Very high	89.8	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111	-173.7	177.3	0	0	0	0	109.8	L301 Y377 F379 V402 V403 P409 L413	L301-V411 HydrophobicContact CD1-CG1 3.55Å; Y377-V411 HydrophobicContact CD1-CG2 3.51Å; Y377-V411 HydrophobicContact CD2-CG1 4.16Å; Y377-V411 HydrophobicContact CD2-CG2 4.09Å; Y377-V411 HydrophobicContact CE1-CG2 3.63Å; Y377-V411 HydrophobicContact CE2-CG1 4.35Å; Y377-V411 HydrophobicContact CE2-CG2 4.22Å; Y377-V411 HydrophobicContact CG-CG1 4.48Å; Y377-V411 HydrophobicContact CG-CG2 3.75Å; F379-V411 HydrophobicContact CE2-CB 4.3Å; F379-V411 HydrophobicContact CE2-CG2 4.16Å; F379-V411 HydrophobicContact CZ-CB 3.8Å; F379-V411 HydrophobicContact CZ-CG2 3.56Å; V402-V411 WeakPolarHBondContact CA-O 3.37Å; V403-V411 PolarHBondContact N-O 2.83Å; V403-V411 PolarHBondContact O-N 3.49Å; P409-V411 PolarHBondContact O-N 3.09Å; V411-L413 HydrophobicContact CG1-CD1 4.35Å; V411-L413 HydrophobicContact CG1-CD2 4.06Å; V411-L413 HydrophobicContact CG1-CG 4.01Å
412	E	94.9	Very high	89.9	Confident	44 Å²	44	31.8 Å²	31.8	21%	0.206	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.3	178.7	-172.7	-177.1	149.9	0	0	111.5	Y302 T400 V402	Y302-E412 PolarHBondContact N-O 3.12Å; Y302-E412 VanDerWaalsContact N-O 3.13Å; T400-E412 HydrophobicContact CG2-CG 3.49Å; T400-E412 VanDerWaalsContact CG2-CG 3.49Å; V402-E412 HydrophobicContact CG2-CB 4.21Å; V402-E412 HydrophobicContact CG2-CG 4.17Å
413	L	96.3	Very high	90	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.8	-174.5	-62.9	169.5	0	0	0	110.9	Y300 L301 V353 F362 V364 T400 L401 V403 V411	Y300-L413 WeakPolarHBondContact O-CA 3.17Å; L301-L413 HydrophobicContact CB-CD2 4.42Å; L301-L413 HydrophobicContact CD1-CD2 4.08Å; V353-L413 HydrophobicContact CG2-CD2 4.09Å; F362-L413 HydrophobicContact CE1-CD1 4.1Å; F362-L413 HydrophobicContact CZ-CD1 3.78Å; V364-L413 HydrophobicContact CG1-CD2 4.26Å; V364-L413 HydrophobicContact CG2-CD1 4.05Å; V364-L413 HydrophobicContact CG2-CD2 4.37Å; T400-L413 WeakPolarHBondContact CA-O 3.3Å; L401-L413 HydrophobicContact CD1-CB 4.2Å; L401-L413 HydrophobicContact CD1-CD1 4.28Å; L401-L413 PolarHBondContact N-O 2.77Å; L401-L413 PolarHBondContact O-N 3.48Å; V403-L413 HydrophobicContact CG2-CD1 4.14Å; V411-L413 HydrophobicContact CG1-CD1 4.35Å; V411-L413 HydrophobicContact CG1-CD2 4.06Å; V411-L413 HydrophobicContact CG1-CG 4.01Å
414	S	95.9	Very high	90	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.4	168.3	158.6	0	0	0	0	109.6	A299 Y300 D393 L398	A299-S414 CarbonylContact C-O 3.47Å; A299-S414 WeakPolarHBondContact CA-O 3.33Å; A299-S414 WeakPolarHBondContact CB-O 3.46Å; Y300-S414 PolarHBondContact N-O 3.16Å; Y300-S414 PolarHBondContact O-N 3.17Å; D393-S414 VanDerWaalsContact CG-OG 3.31Å; D393-S414 PolarHBondContact OD2-OG 2.63Å; L398-S414 WeakPolarHBondContact CB-OG 3.26Å
415	C	95.7	Very high	90.2	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	16%	0.156	C	C	.	.			trans	-145.5	130.9	-174.4	-176.3	0	0	0	0	111.5	E298 A299 L399 E417 R418	E298-C415 PolarHBondContact O-SG 2.61Å; A299-C415 HydrophobicContact CB-CB 4.14Å; L399-C415 PolarHBondContact O-N 3.07Å; L399-C415 VanDerWaalsContact O-N 3.07Å; C415-E417 PolarHBondContact O-N 2.87Å; C415-R418 HydrophobicContact CB-CB 4.41Å; C415-R418 WeakPolarHBondContact O-CB 3.16Å; C415-R418 PolarHBondContact O-N 3.27Å; C415-R418 VanDerWaalsContact O-N 3.13Å
416	K	94.4	Very high	90.7	Very high	178 Å²	178	28.7 Å²	28.7	77%	0.774	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-37.9	177.6	-177.7	-180	176.7	-176.7	0	112.3	L398	L398-K416 HydrophobicContact CD1-CB 4.39Å; L398-K416 HydrophobicContact CD2-CB 4.14Å; L398-K416 HydrophobicContact CD2-CG 4.43Å
417	E	95.3	Very high	91.7	Very high	90 Å²	90	31.3 Å²	31.3	42%	0.421	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	33.3	179.8	-66.1	-176.6	126.9	0	0	111.6	F297 C415 N419 I420 L421	F297-E417 HydrophobicContact CD1-CB 4.2Å; C415-E417 PolarHBondContact O-N 2.87Å; E417-N419 VanDerWaalsContact C-N 3.25Å; E417-N419 PolarHBondContact O-N 2.86Å; E417-N419 VanDerWaalsContact O-N 3.11Å; E417-I420 HydrophobicContact CB-CB 4.26Å; E417-I420 HydrophobicContact CB-CD1 4.18Å; E417-I420 HydrophobicContact CG-CD1 4.17Å; E417-I420 PolarHBondContact O-N 2.9Å; E417-L421 PolarHBondContact O-N 3.34Å
418	R	96.1	Very high	92.7	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.019	15%	0.145	C	C	.	.	H	α-helix	trans	-43.1	-49.7	-176.9	-174.6	-160.2	66.5	180	3.3	112.9	C254 L390 L399 T400 L401 C415 L421 A422	C254-R418 PolarHBondContact SG-NH2 2.82Å; L390-R418 PolarHBondContact O-NH1 3.45Å; L399-R418 HydrophobicContact CB-CB 4.02Å; L399-R418 HydrophobicContact CB-CG 4.43Å; T400-R418 WeakPolarHBondContact O-CD 3.41Å; T400-R418 PolarHBondContact O-NH1 2.93Å; L401-R418 HydrophobicContact CB-CG 4.16Å; L401-R418 HydrophobicContact CD2-CG 3.66Å; L401-R418 HydrophobicContact CG-CG 4.12Å; C415-R418 HydrophobicContact CB-CB 4.41Å; C415-R418 WeakPolarHBondContact O-CB 3.16Å; C415-R418 PolarHBondContact O-N 3.27Å; C415-R418 VanDerWaalsContact O-N 3.13Å; R418-L421 PolarHBondContact O-N 2.81Å; R418-A422 WeakPolarHBondContact O-CB 3.43Å; R418-A422 PolarHBondContact O-N 3.43Å
419	N	95.9	Very high	93.6	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.091	14%	0.137	C	C	.	.	H	α-helix	trans	-68.8	-35	-176	-64	0.1	0	0	0	112.3	C254 I274 L276 E417 A423	C254-N419 PolarHBondContact SG-OD1 2.83Å; I274-N419 HydrophobicContact CG2-CB 4.28Å; L276-N419 HydrophobicContact CD2-CB 4.21Å; E417-N419 VanDerWaalsContact C-N 3.25Å; E417-N419 PolarHBondContact O-N 2.86Å; E417-N419 VanDerWaalsContact O-N 3.11Å; N419-A423 WeakPolarHBondContact O-CB 3.17Å; N419-A423 PolarHBondContact O-N 3.26Å
420	I	97	Very high	94.2	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.046	12%	0.121	C	C	.	.	H	α-helix	trans	-69.9	-42.3	175.7	-59.3	174	0	0	0	109.8	E280 I283 V284 F297 E417 T424	E280-I420 HydrophobicContact CB-CG1 4.27Å; E280-I420 HydrophobicContact CG-CD1 4.05Å; E280-I420 HydrophobicContact CG-CG1 4.11Å; I283-I420 HydrophobicContact CD1-CD1 4.33Å; I283-I420 HydrophobicContact CG2-CG2 3.82Å; V284-I420 HydrophobicContact CG2-CG2 3.89Å; F297-I420 HydrophobicContact CE1-CB 4.28Å; F297-I420 HydrophobicContact CE1-CG2 3.81Å; F297-I420 HydrophobicContact CZ-CG2 4.13Å; E417-I420 HydrophobicContact CB-CB 4.26Å; E417-I420 HydrophobicContact CB-CD1 4.18Å; E417-I420 HydrophobicContact CG-CD1 4.17Å; E417-I420 PolarHBondContact O-N 2.9Å; I420-T424 VanDerWaalsContact O-CB 3.25Å; I420-T424 WeakPolarHBondContact O-CB 3.48Å; I420-T424 PolarHBondContact O-N 3.16Å; I420-T424 PolarHBondContact O-OG1 2.88Å
421	L	96.9	Very high	94	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-51.8	174.6	177.5	164.4	0	0	0	110.6	F297 C355 F362 F387 L401 E417 R418 T424 F425	F297-L421 HydrophobicContact CB-CD1 3.87Å; F297-L421 HydrophobicContact CD1-CB 4.07Å; F297-L421 HydrophobicContact CD2-CB 3.96Å; F297-L421 HydrophobicContact CD2-CD1 4.01Å; F297-L421 HydrophobicContact CD2-CG 3.88Å; F297-L421 HydrophobicContact CE1-CB 4.18Å; F297-L421 HydrophobicContact CE2-CB 4.1Å; F297-L421 HydrophobicContact CE2-CG 4.25Å; F297-L421 HydrophobicContact CG-CB 3.95Å; F297-L421 HydrophobicContact CG-CD1 3.99Å; F297-L421 HydrophobicContact CG-CG 4.17Å; F297-L421 HydrophobicContact CZ-CB 4.2Å; C355-L421 HydrophobicContact CB-CD1 3.79Å; F362-L421 HydrophobicContact CE2-CD1 4.39Å; F362-L421 HydrophobicContact CE2-CD2 4.06Å; F362-L421 HydrophobicContact CE2-CG 4.41Å; F362-L421 HydrophobicContact CZ-CD2 4.44Å; F387-L421 HydrophobicContact CE2-CD2 3.76Å; F387-L421 HydrophobicContact CZ-CD2 4.29Å; L401-L421 HydrophobicContact CD2-CD2 3.87Å; E417-L421 PolarHBondContact O-N 3.34Å; R418-L421 PolarHBondContact O-N 2.81Å; L421-T424 PolarHBondContact O-N 2.87Å; L421-F425 PolarHBondContact O-N 2.92Å
422	A	97	Very high	93.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-49.9	178.4	0	0	0	0	0	111.9	I274 F387 Y389 L401 R418 T424 F425 I426	I274-A422 HydrophobicContact CD1-CB 3.8Å; F387-A422 HydrophobicContact CD2-CB 3.83Å; F387-A422 HydrophobicContact CE2-CB 4.12Å; Y389-A422 HydrophobicContact CE1-CB 3.86Å; L401-A422 HydrophobicContact CD2-CB 4.44Å; R418-A422 WeakPolarHBondContact O-CB 3.43Å; R418-A422 PolarHBondContact O-N 3.43Å; A422-T424 VanDerWaalsContact C-N 3.31Å; A422-T424 PolarHBondContact O-N 3.11Å; A422-F425 WeakPolarHBondContact O-CB 3.49Å; A422-F425 PolarHBondContact O-N 2.86Å; A422-F425 VanDerWaalsContact O-N 3.15Å; A422-I426 WeakPolarHBondContact O-CG1 3.39Å; A422-I426 PolarHBondContact O-N 2.96Å
423	A	96.8	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-35.7	177.2	0	0	0	0	0	113.1	V178 I274 L276 V284 N419 I426 R427	V178-A423 HydrophobicContact CG1-CB 3.83Å; V178-A423 HydrophobicContact CG2-CB 4.11Å; I274-A423 HydrophobicContact CD1-CB 4.39Å; I274-A423 HydrophobicContact CG2-CB 4.34Å; L276-A423 HydrophobicContact CD1-CB 3.76Å; L276-A423 HydrophobicContact CD2-CB 4.26Å; L276-A423 HydrophobicContact CG-CB 4.43Å; V284-A423 HydrophobicContact CG1-CB 4.21Å; V284-A423 HydrophobicContact CG2-CB 3.8Å; N419-A423 WeakPolarHBondContact O-CB 3.17Å; N419-A423 PolarHBondContact O-N 3.26Å; A423-I426 PolarHBondContact O-N 3.17Å; A423-R427 VanDerWaalsContact O-CB 3.27Å; A423-R427 WeakPolarHBondContact O-CB 3.26Å; A423-R427 VanDerWaalsContact O-CG 3.27Å; A423-R427 WeakPolarHBondContact O-CG 3.37Å; A423-R427 PolarHBondContact O-N 2.98Å
424	T	95.6	Very high	91.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-41.6	174.9	-59	0	0	0	0	111.1	N287 V288 V357 I420 L421 A422 S428	N287-T424 HydrophobicContact CB-CG2 3.64Å; N287-T424 PolarHBondContact ND2-OG1 2.72Å; V288-T424 HydrophobicContact CG2-CG2 4.33Å; V357-T424 HydrophobicContact CB-CG2 4.19Å; V357-T424 HydrophobicContact CG1-CG2 3.96Å; I420-T424 VanDerWaalsContact O-CB 3.25Å; I420-T424 WeakPolarHBondContact O-CB 3.48Å; I420-T424 PolarHBondContact O-N 3.16Å; I420-T424 PolarHBondContact O-OG1 2.88Å; L421-T424 PolarHBondContact O-N 2.87Å; A422-T424 VanDerWaalsContact C-N 3.31Å; A422-T424 PolarHBondContact O-N 3.11Å; T424-S428 WeakPolarHBondContact O-CB 3.26Å; T424-S428 PolarHBondContact O-N 2.98Å; T424-S428 VanDerWaalsContact O-N 3.08Å; T424-S428 PolarHBondContact O-OG 2.9Å
425	F	94.9	Very high	91.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-53.2	174.1	176.9	-87.6	0	0	0	111.1	V357 F362 V381 T385 F387 L421 A422 R427 S428 L429	V357-F425 HydrophobicContact CG1-CB 4.42Å; F362-F425 HydrophobicContact CB-CD2 3.95Å; F362-F425 HydrophobicContact CB-CE2 3.96Å; F362-F425 HydrophobicContact CG-CD2 4.39Å; V381-F425 HydrophobicContact CB-CE2 4.05Å; V381-F425 HydrophobicContact CB-CZ 4.49Å; V381-F425 HydrophobicContact CG1-CD2 4.34Å; V381-F425 HydrophobicContact CG1-CE2 4.11Å; V381-F425 HydrophobicContact CG1-CZ 4.31Å; V381-F425 HydrophobicContact CG2-CD2 3.89Å; V381-F425 HydrophobicContact CG2-CE2 3.68Å; T385-F425 HydrophobicContact CG2-CE2 4.15Å; T385-F425 HydrophobicContact CG2-CZ 3.74Å; F387-F425 HydrophobicContact CE1-CD1 4.07Å; F387-F425 HydrophobicContact CE1-CD2 4.31Å; F387-F425 HydrophobicContact CE1-CE1 4.16Å; F387-F425 HydrophobicContact CE1-CE2 4.37Å; F387-F425 HydrophobicContact CE1-CG 4.17Å; F387-F425 HydrophobicContact CE1-CZ 4.33Å; F387-F425 HydrophobicContact CE2-CB 4.02Å; F387-F425 HydrophobicContact CE2-CD1 4.23Å; F387-F425 HydrophobicContact CE2-CG 4.09Å; F387-F425 HydrophobicContact CZ-CB 3.94Å; F387-F425 AromaticContact CZ-CD1 3.85Å; F387-F425 HydrophobicContact CZ-CD1 3.85Å; F387-F425 AromaticContact CZ-CD2 3.89Å; F387-F425 HydrophobicContact CZ-CD2 3.89Å; F387-F425 HydrophobicContact CZ-CE1 4.39Å; F387-F425 HydrophobicContact CZ-CE2 4.39Å; F387-F425 AromaticContact CZ-CG 3.61Å; F387-F425 HydrophobicContact CZ-CG 3.61Å; L421-F425 PolarHBondContact O-N 2.92Å; A422-F425 WeakPolarHBondContact O-CB 3.49Å; A422-F425 PolarHBondContact O-N 2.86Å; A422-F425 VanDerWaalsContact O-N 3.15Å; F425-R427 PolarHBondContact O-N 3.4Å; F425-S428 WeakPolarHBondContact O-CB 3.25Å; F425-S428 PolarHBondContact O-N 3.47Å; F425-S428 VanDerWaalsContact O-N 3.17Å; F425-L429 HydrophobicContact CE1-CD2 4.48Å; F425-L429 PolarHBondContact O-N 2.79Å
426	I	94.5	Very high	90.3	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.046	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-42.7	-177.2	-63.8	-62.9	0	0	0	111.9	T176 V178 I274 A422 A423 S428 L429 H430	T176-I426 HydrophobicContact CG2-CD1 4.28Å; T176-I426 HydrophobicContact CG2-CG1 4.08Å; T176-I426 HydrophobicContact CG2-CG2 4.24Å; V178-I426 HydrophobicContact CG2-CB 4Å; V178-I426 HydrophobicContact CG2-CG2 3.7Å; I274-I426 HydrophobicContact CD1-CG1 4.29Å; A422-I426 WeakPolarHBondContact O-CG1 3.39Å; A422-I426 PolarHBondContact O-N 2.96Å; A423-I426 PolarHBondContact O-N 3.17Å; I426-S428 VanDerWaalsContact C-N 3.35Å; I426-S428 PolarHBondContact O-N 2.81Å; I426-L429 WeakPolarHBondContact O-CB 3.29Å; I426-L429 PolarHBondContact O-N 3.14Å; I426-H430 WeakPolarHBondContact CG2-NE2 3.43Å; I426-H430 PolarHBondContact O-CD2 2.87Å; I426-H430 VanDerWaalsContact O-CG 3.28Å; I426-H430 PolarHBondContact O-N 3.1Å
427	R	92.7	Very high	89.6	Confident	81 Å²	81	24.6 Å²	24.6	31%	0.306	13%	0.129	S	C	.	.	H	α-helix	trans	-66.1	-36	175.3	-71.4	-69.5	-70.9	147.3	-3.9	112.5	V178 V284 E285 V288 A423 F425 L429 H430 K431	V178-R427 HydrophobicContact CB-CG 4.22Å; V178-R427 HydrophobicContact CG1-CG 4.26Å; V178-R427 HydrophobicContact CG2-CG 4.16Å; V284-R427 HydrophobicContact CG1-CB 4.16Å; V284-R427 HydrophobicContact CG1-CG 3.8Å; E285-R427 IonicContact OE1-CZ 2.71Å; E285-R427 VanDerWaalsContact OE1-CZ 3.28Å; E285-R427 IonicContact OE1-NE 3.24Å; E285-R427 PolarHBondContact OE1-NE 2.86Å; E285-R427 IonicContact OE1-NH2 3.64Å; E285-R427 PolarHBondContact OE1-NH2 3.14Å; E285-R427 IonicContact OE2-NH2 3.98Å; V288-R427 HydrophobicContact CG2-CB 3.73Å; A423-R427 VanDerWaalsContact O-CB 3.27Å; A423-R427 WeakPolarHBondContact O-CB 3.26Å; A423-R427 VanDerWaalsContact O-CG 3.27Å; A423-R427 WeakPolarHBondContact O-CG 3.37Å; A423-R427 PolarHBondContact O-N 2.98Å; F425-R427 PolarHBondContact O-N 3.4Å; R427-L429 VanDerWaalsContact C-N 3.34Å; R427-H430 PolarHBondContact O-N 3.38Å; R427-K431 PolarHBondContact O-N 3.37Å; R427-K431 VanDerWaalsContact O-N 3.13Å
428	S	90.1	Very high	88.9	Confident	6 Å²	6	22.7 Å²	22.7	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-63.4	-42.4	171.9	-59.1	0	0	0	0	111.2	T424 F425 I426 K431 N432	T424-S428 WeakPolarHBondContact O-CB 3.26Å; T424-S428 PolarHBondContact O-N 2.98Å; T424-S428 VanDerWaalsContact O-N 3.08Å; T424-S428 PolarHBondContact O-OG 2.9Å; F425-S428 WeakPolarHBondContact O-CB 3.25Å; F425-S428 PolarHBondContact O-N 3.47Å; F425-S428 VanDerWaalsContact O-N 3.17Å; I426-S428 VanDerWaalsContact C-N 3.35Å; I426-S428 PolarHBondContact O-N 2.81Å; S428-K431 PolarHBondContact O-N 3.33Å; S428-N432 VanDerWaalsContact O-CG 3.26Å; S428-N432 PolarHBondContact O-N 3.25Å; S428-N432 VanDerWaalsContact O-N 3.15Å; S428-N432 PolarHBondContact O-OD1 3.14Å
429	L	89	Confident	88.1	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-49.8	174.4	172.4	61.1	0	0	0	111.7	V381 C382 P383 F425 I426 R427 K431 N432 I433	V381-L429 HydrophobicContact CG1-CB 3.85Å; C382-L429 VanDerWaalsContact C-CD1 3.41Å; C382-L429 VanDerWaalsContact CA-CD1 3.44Å; P383-L429 HydrophobicContact CG-CD1 4.07Å; F425-L429 HydrophobicContact CE1-CD2 4.48Å; F425-L429 PolarHBondContact O-N 2.79Å; I426-L429 WeakPolarHBondContact O-CB 3.29Å; I426-L429 PolarHBondContact O-N 3.14Å; R427-L429 VanDerWaalsContact C-N 3.34Å; L429-K431 PolarHBondContact O-N 2.88Å; L429-N432 WeakPolarHBondContact O-CA 3.41Å; L429-N432 WeakPolarHBondContact O-CB 3.42Å; L429-N432 PolarHBondContact O-N 3.41Å; L429-I433 HydrophobicContact CD1-CD1 4.5Å; L429-I433 HydrophobicContact CD1-CG2 3.92Å; L429-I433 HydrophobicContact CG-CD1 4.42Å; L429-I433 PolarHBondContact O-N 2.95Å
430	H	89.4	Confident	87.2	Confident	20 Å²	20	26.6 Å²	26.6	9%	0.093	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-39.2	179.9	-69.3	-167.3	0	0	0	111.9	F174 T176 I426 R427 N432 G434	F174-H430 AromaticContact CD1-CD2 3.35Å; F174-H430 WeakPolarHBondContact CD1-CD2 3.26Å; F174-H430 AromaticContact CD1-CE1 3.67Å; F174-H430 AromaticContact CD1-CG 3.84Å; F174-H430 AromaticContact CD1-NE2 3.25Å; F174-H430 VanDerWaalsContact CD1-NE2 3.25Å; F174-H430 WeakPolarHBondContact CD1-NE2 3.47Å; F174-H430 AromaticContact CD2-CE1 3.99Å; F174-H430 HydrophobicContact CE1-CB 3.92Å; F174-H430 AromaticContact CE1-CD2 3.38Å; F174-H430 WeakPolarHBondContact CE1-CD2 3.3Å; F174-H430 AromaticContact CE1-CG 3.47Å; F174-H430 VanDerWaalsContact CE1-CG 3.47Å; F174-H430 AromaticContact CE1-ND1 3.86Å; F174-H430 AromaticContact CE1-NE2 3.75Å; F174-H430 AromaticContact CG-CE1 3.62Å; F174-H430 AromaticContact CG-NE2 3.58Å; F174-H430 HydrophobicContact CZ-CB 4.05Å; F174-H430 AromaticContact CZ-CG 3.79Å; F174-H430 AromaticContact CZ-ND1 3.88Å; T176-H430 PolarHBondContact O-CE1 2.79Å; T176-H430 PolarHBondContact O-NE2 3.02Å; T176-H430 VanDerWaalsContact O-NE2 3.16Å; I426-H430 WeakPolarHBondContact CG2-NE2 3.43Å; I426-H430 PolarHBondContact O-CD2 2.87Å; I426-H430 VanDerWaalsContact O-CG 3.28Å; I426-H430 PolarHBondContact O-N 3.1Å; R427-H430 PolarHBondContact O-N 3.38Å; H430-N432 VanDerWaalsContact C-N 3.3Å; H430-N432 PolarHBondContact O-N 3.21Å; H430-G434 PolarHBondContact O-N 3.17Å
431	K	84.8	Confident	86.5	Confident	127 Å²	127	28.7 Å²	28.7	55%	0.552	15%	0.153	S	C	*	.	H	α-helix	trans	-65.9	-32.4	175.7	-171.8	177.9	178.8	179.9	0	112.3	V288 R427 S428 L429	V288-K431 HydrophobicContact CG1-CD 4.06Å; V288-K431 PolarHBondContact O-NZ 3.38Å; R427-K431 PolarHBondContact O-N 3.37Å; R427-K431 VanDerWaalsContact O-N 3.13Å; S428-K431 PolarHBondContact O-N 3.33Å; L429-K431 PolarHBondContact O-N 2.88Å
432	N	80.5	Confident	85.9	Confident	50 Å²	50	28.9 Å²	28.9	27%	0.267	15%	0.154	S	C	.	.	H	α-helix	trans	-74.1	-43	178.2	-67.3	-17.2	0	0	0	112.5	P359 V381 S428 L429 H430 I694	P359-N432 PolarHBondContact O-ND2 3.12Å; V381-N432 PolarHBondContact O-ND2 3.3Å; S428-N432 VanDerWaalsContact O-CG 3.26Å; S428-N432 PolarHBondContact O-N 3.25Å; S428-N432 VanDerWaalsContact O-N 3.15Å; S428-N432 PolarHBondContact O-OD1 3.14Å; L429-N432 WeakPolarHBondContact O-CA 3.41Å; L429-N432 WeakPolarHBondContact O-CB 3.42Å; L429-N432 PolarHBondContact O-N 3.41Å; H430-N432 VanDerWaalsContact C-N 3.3Å; H430-N432 PolarHBondContact O-N 3.21Å; N432-I694 WeakPolarHBondContact O-CG2 3.24Å
433	I	81.1	Confident	85.4	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-90.1	-8.9	-171.1	66.4	179.5	0	0	0	115	F174 P383 L429 E437 I694	F174-I433 HydrophobicContact CD1-CD1 4.13Å; F174-I433 HydrophobicContact CE1-CD1 3.83Å; F174-I433 HydrophobicContact CE1-CG1 4.11Å; P383-I433 HydrophobicContact CG-CD1 4.41Å; P383-I433 HydrophobicContact CG-CG2 4.11Å; L429-I433 HydrophobicContact CD1-CD1 4.5Å; L429-I433 HydrophobicContact CD1-CG2 3.92Å; L429-I433 HydrophobicContact CG-CD1 4.42Å; L429-I433 PolarHBondContact O-N 2.95Å; I433-E437 HydrophobicContact CD1-CG 3.57Å; I433-I694 HydrophobicContact CG2-CB 4.17Å; I433-I694 HydrophobicContact CG2-CG2 4.4Å
434	G	76.9	Confident	84.9	Confident	33 Å²	33	33 Å²	33	34%	0.34	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	22.1	166.6	0	0	0	0	0	116.6	H430	H430-G434 PolarHBondContact O-N 3.17Å
435	G	77.9	Confident	84.5	Confident	28 Å²	28	34.1 Å²	34.1	29%	0.289	18%	0.181	S	C	.	.	S	Bend	trans	112.2	-5.3	169.2	0	0	0	0	0	116.4	C172 F174	C172-G435 WeakPolarHBondContact CB-O 3.41Å; F174-G435 VanDerWaalsContact CE2-O 3.25Å; F174-G435 WeakPolarHBondContact CE2-O 3.47Å; F174-G435 VanDerWaalsContact CZ-CA 3.47Å; F174-G435 VanDerWaalsContact CZ-O 3.27Å; F174-G435 WeakPolarHBondContact CZ-O 3.31Å
436	S	80.5	Confident	84.4	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.028	18%	0.181	C	C	.	.			trans	-160.4	148.3	-178.1	-174.7	0	0	0	0	110.7	T438 D441	S436-T438 PolarHBondContact OG-N 3.25Å; S436-D441 VanDerWaalsContact CB-CB 3.41Å; S436-D441 VanDerWaalsContact CB-OD2 3.26Å; S436-D441 WeakPolarHBondContact CB-OD2 3.37Å; S436-D441 WeakPolarHBondContact OG-CB 3.4Å; S436-D441 PolarHBondContact OG-OD2 2.9Å
437	E	79.2	Confident	84.2	Confident	29 Å²	29	35.7 Å²	35.7	14%	0.136	19%	0.188	C	C	.	.			trans	-88.3	-11.2	174.6	-71.7	172.8	-179.6	0	0	113.3	H173 F174 S175 I433 K442	H173-E437 PolarHBondContact O-N 3.08Å; F174-E437 HydrophobicContact CD1-CG 4.16Å; S175-E437 WeakPolarHBondContact CB-OE2 3.32Å; S175-E437 PolarHBondContact N-OE1 3.2Å; S175-E437 VanDerWaalsContact N-OE1 3.14Å; S175-E437 PolarHBondContact N-OE2 3.33Å; S175-E437 PolarHBondContact OG-OE1 3.48Å; S175-E437 PolarHBondContact OG-OE2 2.96Å; I433-E437 HydrophobicContact CD1-CG 3.57Å; E437-K442 WeakPolarHBondContact O-CE 3.47Å; E437-K442 PolarHBondContact O-NZ 3.39Å; E437-K442 VanDerWaalsContact O-NZ 3.14Å
438	T	79.3	Confident	84.2	Confident	50 Å²	50	37 Å²	37	31%	0.307	19%	0.193	S	C	.	.	S	Bend	trans	-69.2	142.9	-177.2	81.9	0	0	0	0	111.6	S436 Q440 D441 K442	S436-T438 PolarHBondContact OG-N 3.25Å; T438-Q440 VanDerWaalsContact C-N 3.34Å; T438-Q440 PolarHBondContact O-N 3.44Å; T438-D441 PolarHBondContact O-N 2.88Å; T438-D441 WeakPolarHBondContact OG1-CB 3.3Å; T438-D441 PolarHBondContact OG1-N 3.25Å; T438-D441 PolarHBondContact OG1-OD2 3.26Å; T438-K442 WeakPolarHBondContact O-CG 3.23Å; T438-K442 PolarHBondContact O-N 2.8Å
439	F	80.5	Confident	84.3	Confident	18 Å²	18	38.8 Å²	38.8	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-53.4	-48.7	178.5	175.4	-111.1	0	0	0	112.7	D441 K442 V443 F695 E699 L702 E746 R750	F439-D441 VanDerWaalsContact C-N 3.34Å; F439-D441 PolarHBondContact O-N 2.89Å; F439-K442 WeakPolarHBondContact O-CB 3.22Å; F439-K442 PolarHBondContact O-N 2.94Å; F439-V443 HydrophobicContact CD1-CG2 4.19Å; F439-V443 HydrophobicContact CD2-CG2 4.08Å; F439-V443 HydrophobicContact CE1-CG2 3.76Å; F439-V443 HydrophobicContact CE2-CG2 3.63Å; F439-V443 HydrophobicContact CG-CG2 4.36Å; F439-V443 HydrophobicContact CZ-CG2 3.46Å; F439-V443 VanDerWaalsContact CZ-CG2 3.46Å; F439-V443 VanDerWaalsContact O-CG2 3.32Å; F439-V443 WeakPolarHBondContact O-CG2 3.19Å; F439-V443 PolarHBondContact O-N 2.89Å; F439-F695 HydrophobicContact CD2-CD1 4.18Å; F439-F695 HydrophobicContact CD2-CE1 4.22Å; F439-F695 HydrophobicContact CE2-CD1 4.11Å; F439-F695 HydrophobicContact CE2-CE1 4.08Å; F439-E699 HydrophobicContact CD2-CB 3.68Å; F439-E699 HydrophobicContact CD2-CG 3.62Å; F439-E699 HydrophobicContact CE2-CB 3.81Å; F439-E699 HydrophobicContact CE2-CG 4.23Å; F439-E699 WeakPolarHBondContact CE2-O 3.3Å; F439-E699 HydrophobicContact CG-CG 4.43Å; F439-L702 HydrophobicContact CD1-CD2 3.93Å; F439-L702 HydrophobicContact CE1-CD2 3.41Å; F439-L702 VanDerWaalsContact CE1-CD2 3.41Å; F439-L702 HydrophobicContact CE1-CG 3.86Å; F439-L702 HydrophobicContact CE2-CB 4.36Å; F439-L702 HydrophobicContact CE2-CD2 4.29Å; F439-L702 HydrophobicContact CZ-CB 3.92Å; F439-L702 HydrophobicContact CZ-CD2 3.61Å; F439-L702 HydrophobicContact CZ-CG 3.69Å; F439-E746 WeakPolarHBondContact CD1-OE1 3.44Å; F439-R750 VanDerWaalsContact CB-NH2 3.33Å; F439-R750 VanDerWaalsContact CD1-NH2 3.3Å
440	Q	77	Confident	84.5	Confident	87 Å²	87	38.6 Å²	38.6	41%	0.407	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-37.5	-176.7	-174.5	58.3	59.1	0	0	112.4	T438 V443 N444	T438-Q440 VanDerWaalsContact C-N 3.34Å; T438-Q440 PolarHBondContact O-N 3.44Å; Q440-V443 PolarHBondContact O-N 3.2Å; Q440-N444 PolarHBondContact NE2-OD1 3.19Å; Q440-N444 WeakPolarHBondContact O-CB 3.39Å; Q440-N444 PolarHBondContact O-N 2.89Å; Q440-N444 PolarHBondContact O-ND2 3.18Å; Q440-N444 PolarHBondContact O-OD1 3.13Å
441	D	81.8	Confident	84.7	Confident	52 Å²	52	42.4 Å²	42.4	28%	0.278	21%	0.213	S	C	.	.	H	α-helix	trans	-69.6	-39.6	175.8	-66.1	-31.4	0	0	0	111.2	S436 T438 F439 V443 N444 F445	S436-D441 VanDerWaalsContact CB-CB 3.41Å; S436-D441 VanDerWaalsContact CB-OD2 3.26Å; S436-D441 WeakPolarHBondContact CB-OD2 3.37Å; S436-D441 WeakPolarHBondContact OG-CB 3.4Å; S436-D441 PolarHBondContact OG-OD2 2.9Å; T438-D441 PolarHBondContact O-N 2.88Å; T438-D441 WeakPolarHBondContact OG1-CB 3.3Å; T438-D441 PolarHBondContact OG1-N 3.25Å; T438-D441 PolarHBondContact OG1-OD2 3.26Å; F439-D441 VanDerWaalsContact C-N 3.34Å; F439-D441 PolarHBondContact O-N 2.89Å; D441-V443 VanDerWaalsContact C-N 3.35Å; D441-V443 PolarHBondContact O-N 3.11Å; D441-N444 PolarHBondContact O-N 2.82Å; D441-F445 VanDerWaalsContact O-CB 3.32Å; D441-F445 WeakPolarHBondContact O-CB 3.49Å; D441-F445 PolarHBondContact O-N 2.8Å
442	K	85.3	Confident	85	Confident	5 Å²	5	41.4 Å²	41.4	2%	0.022	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-42.6	171.8	-72.9	-175.9	-69.6	-165.1	0	111.8	E437 T438 F439 F445 F446 I694 F695 E699	E437-K442 WeakPolarHBondContact O-CE 3.47Å; E437-K442 PolarHBondContact O-NZ 3.39Å; E437-K442 VanDerWaalsContact O-NZ 3.14Å; T438-K442 WeakPolarHBondContact O-CG 3.23Å; T438-K442 PolarHBondContact O-N 2.8Å; F439-K442 WeakPolarHBondContact O-CB 3.22Å; F439-K442 PolarHBondContact O-N 2.94Å; K442-F445 PolarHBondContact O-N 2.85Å; K442-F446 VanDerWaalsContact O-CB 3.23Å; K442-F446 WeakPolarHBondContact O-CB 3.15Å; K442-F446 PolarHBondContact O-N 2.59Å; K442-I694 HydrophobicContact CB-CD1 4.01Å; K442-I694 HydrophobicContact CB-CG1 4.33Å; K442-I694 HydrophobicContact CD-CG1 4.5Å; K442-I694 VanDerWaalsContact CD-O 3.28Å; K442-I694 WeakPolarHBondContact CD-O 3.29Å; K442-I694 HydrophobicContact CG-CD1 4.45Å; K442-I694 WeakPolarHBondContact O-CD1 3.45Å; K442-F695 HydrophobicContact CB-CD1 4.17Å; K442-F695 HydrophobicContact CB-CE1 3.58Å; K442-F695 HydrophobicContact CB-CZ 4.16Å; K442-E699 WeakPolarHBondContact CE-OE1 3.39Å; K442-E699 VanDerWaalsContact CE-OE2 3.31Å; K442-E699 WeakPolarHBondContact CE-OE2 3.44Å; K442-E699 IonicContact NZ-OE1 3.4Å; K442-E699 PolarHBondContact NZ-OE1 2.66Å; K442-E699 IonicContact NZ-OE2 2.94Å; K442-E699 PolarHBondContact NZ-OE2 3.33Å
443	V	86	Confident	85.5	Confident	11 Å²	11	42.1 Å²	42.1	7%	0.067	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-49	173.6	172.6	0	0	0	0	110.7	F439 Q440 D441 F445 F446 Q447 F695 L703	F439-V443 HydrophobicContact CD1-CG2 4.19Å; F439-V443 HydrophobicContact CD2-CG2 4.08Å; F439-V443 HydrophobicContact CE1-CG2 3.76Å; F439-V443 HydrophobicContact CE2-CG2 3.63Å; F439-V443 HydrophobicContact CG-CG2 4.36Å; F439-V443 HydrophobicContact CZ-CG2 3.46Å; F439-V443 VanDerWaalsContact CZ-CG2 3.46Å; F439-V443 VanDerWaalsContact O-CG2 3.32Å; F439-V443 WeakPolarHBondContact O-CG2 3.19Å; F439-V443 PolarHBondContact O-N 2.89Å; Q440-V443 PolarHBondContact O-N 3.2Å; D441-V443 VanDerWaalsContact C-N 3.35Å; D441-V443 PolarHBondContact O-N 3.11Å; V443-F445 VanDerWaalsContact C-N 3.32Å; V443-F445 PolarHBondContact O-N 3.24Å; V443-F446 PolarHBondContact O-N 2.67Å; V443-Q447 HydrophobicContact CG1-CG 4.19Å; V443-Q447 WeakPolarHBondContact O-CB 3.39Å; V443-Q447 WeakPolarHBondContact O-CG 3.38Å; V443-Q447 PolarHBondContact O-N 3.48Å; V443-F695 HydrophobicContact CG2-CE1 3.96Å; V443-F695 HydrophobicContact CG2-CZ 4.32Å; V443-L703 HydrophobicContact CG1-CD1 4.43Å; V443-L703 HydrophobicContact CG2-CD1 4.12Å
444	N	85.6	Confident	86	Confident	74 Å²	74	42.1 Å²	42.1	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-60.8	-42.5	179.8	-69.3	-22.2	0	0	0	111.8	Q440 D441 R448	Q440-N444 PolarHBondContact NE2-OD1 3.19Å; Q440-N444 WeakPolarHBondContact O-CB 3.39Å; Q440-N444 PolarHBondContact O-N 2.89Å; Q440-N444 PolarHBondContact O-ND2 3.18Å; Q440-N444 PolarHBondContact O-OD1 3.13Å; D441-N444 PolarHBondContact O-N 2.82Å; N444-R448 WeakPolarHBondContact O-CB 3.3Å; N444-R448 PolarHBondContact O-N 2.82Å
445	F	88.2	Confident	86.5	Confident	26 Å²	26	46.8 Å²	46.8	11%	0.114	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-57.4	173.7	176.4	-99.2	0	0	0	110.9	D441 K442 V443 Q447 R448 E449 L691 I694	D441-F445 VanDerWaalsContact O-CB 3.32Å; D441-F445 WeakPolarHBondContact O-CB 3.49Å; D441-F445 PolarHBondContact O-N 2.8Å; K442-F445 PolarHBondContact O-N 2.85Å; V443-F445 VanDerWaalsContact C-N 3.32Å; V443-F445 PolarHBondContact O-N 3.24Å; F445-Q447 VanDerWaalsContact C-N 3.31Å; F445-Q447 PolarHBondContact O-N 3.35Å; F445-R448 VanDerWaalsContact CE2-NH2 3.29Å; F445-R448 WeakPolarHBondContact O-CB 3.32Å; F445-R448 PolarHBondContact O-N 3.42Å; F445-E449 HydrophobicContact CD1-CG 4.23Å; F445-E449 HydrophobicContact CD2-CG 4.21Å; F445-E449 HydrophobicContact CE1-CG 3.83Å; F445-E449 HydrophobicContact CE2-CG 3.78Å; F445-E449 HydrophobicContact CG-CG 4.4Å; F445-E449 HydrophobicContact CZ-CG 3.57Å; F445-E449 WeakPolarHBondContact O-CG 3.44Å; F445-E449 PolarHBondContact O-N 3.43Å; F445-L691 HydrophobicContact CE1-CD2 4.42Å; F445-I694 HydrophobicContact CD1-CD1 3.9Å
446	F	91.3	Very high	86.9	Confident	1 Å²	1	55 Å²	55	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-50.4	-50.7	178.6	171.2	-98.9	0	0	0	111.9	K442 V443 R448 E449 L450 L563 V687 L691 L692 I694 F695 L703	K442-F446 VanDerWaalsContact O-CB 3.23Å; K442-F446 WeakPolarHBondContact O-CB 3.15Å; K442-F446 PolarHBondContact O-N 2.59Å; V443-F446 PolarHBondContact O-N 2.67Å; F446-R448 VanDerWaalsContact C-N 3.33Å; F446-R448 PolarHBondContact O-N 2.85Å; F446-E449 PolarHBondContact O-N 3.21Å; F446-L450 HydrophobicContact CE1-CD2 3.82Å; F446-L450 HydrophobicContact CZ-CD2 3.74Å; F446-L450 VanDerWaalsContact O-CB 3.25Å; F446-L450 WeakPolarHBondContact O-CB 3.33Å; F446-L450 PolarHBondContact O-N 3.12Å; F446-L563 HydrophobicContact CE1-CB 4.4Å; F446-L563 HydrophobicContact CE1-CD2 4.32Å; F446-L563 HydrophobicContact CZ-CB 4.25Å; F446-L563 HydrophobicContact CZ-CD2 4.38Å; F446-V687 HydrophobicContact CE2-CG1 3.75Å; F446-V687 HydrophobicContact CZ-CG1 3.93Å; F446-L691 HydrophobicContact CD2-CB 3.84Å; F446-L691 HydrophobicContact CE2-CB 3.9Å; F446-L692 HydrophobicContact CD2-CD2 4.4Å; F446-L692 HydrophobicContact CE2-CD2 3.55Å; F446-L692 HydrophobicContact CE2-CG 4.26Å; F446-L692 HydrophobicContact CZ-CD2 3.84Å; F446-I694 HydrophobicContact CB-CD1 4.04Å; F446-F695 HydrophobicContact CB-CE2 3.85Å; F446-F695 HydrophobicContact CB-CZ 3.72Å; F446-F695 AromaticContact CD2-CE2 3.85Å; F446-F695 HydrophobicContact CD2-CE2 3.85Å; F446-F695 AromaticContact CG-CE2 3.83Å; F446-F695 HydrophobicContact CG-CE2 3.83Å; F446-F695 HydrophobicContact CG-CZ 4.08Å; F446-L703 HydrophobicContact CD1-CD1 4.13Å; F446-L703 HydrophobicContact CD1-CD2 4.3Å; F446-L703 HydrophobicContact CE1-CD1 4.3Å; F446-L703 HydrophobicContact CE1-CD2 4.14Å; F446-L703 HydrophobicContact CZ-CD2 4.34Å
447	Q	91.7	Very high	87	Confident	42 Å²	42	57.6 Å²	57.6	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-38.5	-178.7	-68.1	177.8	-5.9	0	0	112	V443 F445 R451	V443-Q447 HydrophobicContact CG1-CG 4.19Å; V443-Q447 WeakPolarHBondContact O-CB 3.39Å; V443-Q447 WeakPolarHBondContact O-CG 3.38Å; V443-Q447 PolarHBondContact O-N 3.48Å; F445-Q447 VanDerWaalsContact C-N 3.31Å; F445-Q447 PolarHBondContact O-N 3.35Å; Q447-R451 WeakPolarHBondContact O-CB 3.42Å; Q447-R451 VanDerWaalsContact O-CG 3.28Å; Q447-R451 WeakPolarHBondContact O-CG 3.24Å; Q447-R451 PolarHBondContact O-N 3.3Å
448	R	92.1	Very high	86.9	Confident	107 Å²	107	59 Å²	59	40%	0.404	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-49.3	176	-177.6	-173.2	67.6	-142.6	4.5	111.5	N444 F445 F446 L450 R451 Q452	N444-R448 WeakPolarHBondContact O-CB 3.3Å; N444-R448 PolarHBondContact O-N 2.82Å; F445-R448 VanDerWaalsContact CE2-NH2 3.29Å; F445-R448 WeakPolarHBondContact O-CB 3.32Å; F445-R448 PolarHBondContact O-N 3.42Å; F446-R448 VanDerWaalsContact C-N 3.33Å; F446-R448 PolarHBondContact O-N 2.85Å; R448-L450 VanDerWaalsContact C-N 3.32Å; R448-L450 PolarHBondContact O-N 2.83Å; R448-R451 PolarHBondContact O-N 3.38Å; R448-Q452 WeakPolarHBondContact O-CG 3.3Å; R448-Q452 PolarHBondContact O-N 3.48Å
449	E	92.2	Very high	86.6	Confident	45 Å²	45	62.8 Å²	62.8	21%	0.21	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-40.8	179.5	-61.4	-49.3	121.6	0	0	110.9	F445 F446 Q452 V453 L691	F445-E449 HydrophobicContact CD1-CG 4.23Å; F445-E449 HydrophobicContact CD2-CG 4.21Å; F445-E449 HydrophobicContact CE1-CG 3.83Å; F445-E449 HydrophobicContact CE2-CG 3.78Å; F445-E449 HydrophobicContact CG-CG 4.4Å; F445-E449 HydrophobicContact CZ-CG 3.57Å; F445-E449 WeakPolarHBondContact O-CG 3.44Å; F445-E449 PolarHBondContact O-N 3.43Å; F446-E449 PolarHBondContact O-N 3.21Å; E449-Q452 WeakPolarHBondContact O-CB 3.5Å; E449-Q452 PolarHBondContact O-N 2.86Å; E449-Q452 VanDerWaalsContact O-N 3.16Å; E449-V453 WeakPolarHBondContact O-CG2 3.29Å; E449-V453 PolarHBondContact O-N 2.93Å; E449-L691 HydrophobicContact CB-CD1 3.86Å; E449-L691 HydrophobicContact CB-CD2 3.79Å; E449-L691 HydrophobicContact CG-CD2 4.19Å
450	L	93.5	Very high	86.9	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-45.2	176.3	-167	59.1	0	0	0	111.3	F446 R448 Q452 V453 H454 Y564 L686 V687	F446-L450 HydrophobicContact CE1-CD2 3.82Å; F446-L450 HydrophobicContact CZ-CD2 3.74Å; F446-L450 VanDerWaalsContact O-CB 3.25Å; F446-L450 WeakPolarHBondContact O-CB 3.33Å; F446-L450 PolarHBondContact O-N 3.12Å; R448-L450 VanDerWaalsContact C-N 3.32Å; R448-L450 PolarHBondContact O-N 2.83Å; L450-Q452 VanDerWaalsContact C-N 3.27Å; L450-Q452 PolarHBondContact O-N 3.39Å; L450-V453 WeakPolarHBondContact O-CB 3.38Å; L450-V453 PolarHBondContact O-N 2.78Å; L450-V453 VanDerWaalsContact O-N 3.16Å; L450-H454 PolarHBondContact O-CD2 3.17Å; L450-H454 PolarHBondContact O-N 2.95Å; L450-H454 VanDerWaalsContact O-N 3.14Å; L450-Y564 HydrophobicContact CD2-CD2 4.49Å; L450-Y564 HydrophobicContact CG-CD2 4.19Å; L450-L686 WeakPolarHBondContact CD1-O 3.36Å; L450-V687 HydrophobicContact CD1-CG1 4.49Å; L450-V687 HydrophobicContact CD1-CG2 4.27Å; L450-V687 HydrophobicContact CD2-CG2 4.37Å
451	R	92.4	Very high	87.5	Confident	100 Å²	100	66.2 Å²	66.2	38%	0.377	31%	0.314	S	S	.	.	H	α-helix	trans	-57.2	-39.8	172.8	-75.2	-171.4	-55.7	-91.8	0.6	112.3	Q447 R448 H454 M455 S567 L568	Q447-R451 WeakPolarHBondContact O-CB 3.42Å; Q447-R451 VanDerWaalsContact O-CG 3.28Å; Q447-R451 WeakPolarHBondContact O-CG 3.24Å; Q447-R451 PolarHBondContact O-N 3.3Å; R448-R451 PolarHBondContact O-N 3.38Å; R451-H454 CarbonylContact O-C 3.56Å; R451-H454 PolarHBondContact O-N 2.78Å; R451-M455 WeakPolarHBondContact O-CA 3.23Å; R451-M455 WeakPolarHBondContact O-CB 3.34Å; R451-M455 PolarHBondContact O-N 3.19Å; R451-S567 WeakPolarHBondContact CD-O 3.43Å; R451-S567 PolarHBondContact NH1-O 3.01Å; R451-L568 HydrophobicContact CG-CD2 4.15Å
452	Q	92.3	Very high	88	Confident	106 Å²	106	64.9 Å²	64.9	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-64.2	-42.6	176.8	-71.2	-179.4	28.6	0	0	112.3	R448 E449 L450 H454 M455	R448-Q452 WeakPolarHBondContact O-CG 3.3Å; R448-Q452 PolarHBondContact O-N 3.48Å; E449-Q452 WeakPolarHBondContact O-CB 3.5Å; E449-Q452 PolarHBondContact O-N 2.86Å; E449-Q452 VanDerWaalsContact O-N 3.16Å; L450-Q452 VanDerWaalsContact C-N 3.27Å; L450-Q452 PolarHBondContact O-N 3.39Å; Q452-H454 PolarHBondContact O-N 3.47Å; Q452-M455 WeakPolarHBondContact O-CB 3.32Å; Q452-M455 PolarHBondContact O-N 3.28Å
453	V	90.9	Very high	88.4	Confident	64 Å²	64	68 Å²	68	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-58.1	-37.3	176	170.5	0	0	0	0	111.6	E449 L450 P688	E449-V453 WeakPolarHBondContact O-CG2 3.29Å; E449-V453 PolarHBondContact O-N 2.93Å; L450-V453 WeakPolarHBondContact O-CB 3.38Å; L450-V453 PolarHBondContact O-N 2.78Å; L450-V453 VanDerWaalsContact O-N 3.16Å; V453-P688 HydrophobicContact CG1-CG 4.3Å; V453-P688 HydrophobicContact CG2-CG 3.83Å
454	H	91.5	Very high	88.7	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.009	32%	0.324	C	S	.	.	H	α-helix	trans	-95.6	-1.2	-179.9	-64.7	-86	0	0	0	114.5	L450 R451 Q452 K456 R457 S488 Y564 L686	L450-H454 PolarHBondContact O-CD2 3.17Å; L450-H454 PolarHBondContact O-N 2.95Å; L450-H454 VanDerWaalsContact O-N 3.14Å; R451-H454 CarbonylContact O-C 3.56Å; R451-H454 PolarHBondContact O-N 2.78Å; Q452-H454 PolarHBondContact O-N 3.47Å; H454-K456 PolarHBondContact O-N 3.48Å; H454-K456 VanDerWaalsContact O-N 3.09Å; H454-R457 PolarHBondContact CE1-NH1 2.85Å; H454-R457 WeakPolarHBondContact ND1-CD 3.46Å; H454-R457 VanDerWaalsContact ND1-CZ 3.31Å; H454-R457 PolarHBondContact ND1-NE 3.01Å; H454-R457 PolarHBondContact ND1-NH1 2.95Å; H454-R457 VanDerWaalsContact O-CB 3.31Å; H454-R457 WeakPolarHBondContact O-CB 3.22Å; H454-R457 PolarHBondContact O-N 2.8Å; H454-S488 PolarHBondContact ND1-OG 2.61Å; H454-Y564 HydrophobicContact CB-CD2 4.16Å; H454-Y564 HydrophobicContact CB-CE2 3.33Å; H454-Y564 AromaticContact CD2-CD2 3.27Å; H454-Y564 WeakPolarHBondContact CD2-CD2 3.23Å; H454-Y564 AromaticContact CD2-CE2 3.42Å; H454-Y564 VanDerWaalsContact CD2-CE2 3.42Å; H454-Y564 WeakPolarHBondContact CD2-CE2 3.4Å; H454-Y564 AromaticContact CG-CD2 3.68Å; H454-Y564 AromaticContact CG-CE2 3.34Å; H454-Y564 AromaticContact CG-CZ 3.78Å; H454-Y564 AromaticContact NE2-CD2 3.71Å; H454-L686 PolarHBondContact CE1-O 3.19Å; H454-L686 PolarHBondContact NE2-O 3.06Å
455	M	87.7	Confident	89.1	Confident	132 Å²	132	70.7 Å²	70.7	65%	0.65	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.7	-172.2	-174.1	179	71	0	0	113.7	R451 Q452 R457	R451-M455 WeakPolarHBondContact O-CA 3.23Å; R451-M455 WeakPolarHBondContact O-CB 3.34Å; R451-M455 PolarHBondContact O-N 3.19Å; Q452-M455 WeakPolarHBondContact O-CB 3.32Å; Q452-M455 PolarHBondContact O-N 3.28Å; M455-R457 VanDerWaalsContact C-N 3.34Å
456	K	85.7	Confident	89.4	Confident	201 Å²	201	69.4 Å²	69.4	87%	0.874	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-1.5	178.9	-63.1	-175.8	-179.2	179	0	113.6	H454	H454-K456 PolarHBondContact O-N 3.48Å; H454-K456 VanDerWaalsContact O-N 3.09Å
457	R	83.6	Confident	89.6	Confident	58 Å²	58	70.3 Å²	70.3	22%	0.219	34%	0.336	C	S	.	.	S	Bend	trans	-90.8	146.9	-176.3	-58.1	-171.7	-171.4	-177.5	-0.6	110.4	H454 M455 H459 I484 S488	H454-R457 PolarHBondContact CE1-NH1 2.85Å; H454-R457 WeakPolarHBondContact ND1-CD 3.46Å; H454-R457 VanDerWaalsContact ND1-CZ 3.31Å; H454-R457 PolarHBondContact ND1-NE 3.01Å; H454-R457 PolarHBondContact ND1-NH1 2.95Å; H454-R457 VanDerWaalsContact O-CB 3.31Å; H454-R457 WeakPolarHBondContact O-CB 3.22Å; H454-R457 PolarHBondContact O-N 2.8Å; M455-R457 VanDerWaalsContact C-N 3.34Å; R457-H459 PolarHBondContact O-N 3.35Å; R457-I484 VanDerWaalsContact CZ-CG2 3.42Å; R457-S488 WeakPolarHBondContact CD-OG 3.35Å; R457-S488 PolarHBondContact NH1-OG 2.97Å
458	P	75.8	Confident	89.6	Confident	57 Å²	57	72.6 Å²	72.6	37%	0.37	34%	0.342	S	S	.	.			trans	-68.2	133.4	-177.8	27.3	-33.9	0	0	0	111.6	S460	P458-S460 PolarHBondContact O-N 3.26Å
459	H	74.1	Confident	89.6	Confident	131 Å²	131	76.6 Å²	76.6	61%	0.606	37%	0.365	S	S	*	.			trans	-84.1	18.2	172.1	-65.2	-69.1	0	0	0	113.3	R457	R457-H459 PolarHBondContact O-N 3.35Å
460	S	87	Confident	89.6	Confident	57 Å²	57	76.3 Å²	76.3	40%	0.399	37%	0.37	S	S	.	.			trans	-66.2	163.1	178	56.6	0	0	0	0	111.3	P458 K489 N490	P458-S460 PolarHBondContact O-N 3.26Å; S460-K489 WeakPolarHBondContact O-CB 3.07Å; S460-K489 WeakPolarHBondContact O-CG 3.31Å; S460-K489 WeakPolarHBondContact OG-CE 3.36Å; S460-N490 PolarHBondContact O-N 3.5Å; S460-N490 VanDerWaalsContact O-N 3.16Å
461	K	88.5	Confident	89.6	Confident	120 Å²	120	77.2 Å²	77.2	52%	0.522	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	149.8	172.2	-66	-176.6	176.1	-171	0	110.5	N490 E492	K461-N490 CarbonylContact C-O 3.56Å; K461-N490 VanDerWaalsContact CA-O 3.25Å; K461-N490 WeakPolarHBondContact CA-O 3.31Å; K461-N490 HydrophobicContact CG-CB 4.42Å; K461-E492 HydrophobicContact CD-CB 4.48Å
462	V	92.8	Very high	89.5	Confident	23 Å²	23	73.9 Å²	73.9	14%	0.139	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.7	165.9	61.4	0	0	0	0	108.9	F482 K489 N490 F491 E492	V462-F482 HydrophobicContact CG1-CE2 4.25Å; V462-F482 HydrophobicContact CG2-CE1 4.36Å; V462-F482 HydrophobicContact CG2-CE2 4.29Å; V462-F482 HydrophobicContact CG2-CZ 3.79Å; V462-K489 HydrophobicContact CB-CB 4.27Å; V462-K489 HydrophobicContact CB-CD 4.04Å; V462-K489 HydrophobicContact CG1-CB 3.8Å; V462-K489 HydrophobicContact CG1-CD 4.37Å; V462-N490 PolarHBondContact N-O 3.32Å; V462-F491 HydrophobicContact CG1-CD1 3.39Å; V462-F491 HydrophobicContact CG1-CE1 3.61Å; V462-F491 HydrophobicContact CG1-CG 4.45Å; V462-F491 WeakPolarHBondContact O-CA 3.1Å; V462-E492 PolarHBondContact O-N 3.18Å
463	T	92.5	Very high	89.6	Confident	70 Å²	70	75.4 Å²	75.4	43%	0.429	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.2	-178.1	-47.9	0	0	0	0	110.6	K465 E492 V494	T463-K465 HydrophobicContact CG2-CG 4.31Å; T463-E492 CarbonylContact C-O 3.55Å; T463-E492 WeakPolarHBondContact CA-O 3.1Å; T463-E492 PolarHBondContact OG1-OE2 3.42Å; T463-E492 VanDerWaalsContact OG1-OE2 3.11Å; T463-V494 HydrophobicContact CG2-CG2 3.95Å
464	L	93.8	Very high	89.8	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	104.6	177.5	-171	78.5	0	0	0	109.3	V466 A478 T479 F482 F491 E492 V493 V494 W510	L464-V466 HydrophobicContact CD2-CG1 3.88Å; L464-V466 HydrophobicContact CG-CG1 3.81Å; L464-A478 HydrophobicContact CD1-CB 3.55Å; L464-A478 HydrophobicContact CG-CB 4.39Å; L464-T479 HydrophobicContact CD1-CG2 3.62Å; L464-F482 HydrophobicContact CD1-CE2 4.24Å; L464-F482 HydrophobicContact CD1-CZ 4.18Å; L464-F491 HydrophobicContact CD2-CD2 4.01Å; L464-F491 HydrophobicContact CD2-CE2 4.36Å; L464-E492 PolarHBondContact N-O 2.91Å; L464-V493 HydrophobicContact CB-CG2 4.43Å; L464-V493 HydrophobicContact CD2-CG2 4.29Å; L464-V493 WeakPolarHBondContact O-CA 3.36Å; L464-V494 PolarHBondContact O-N 2.67Å; L464-W510 HydrophobicContact CD2-CD2 3.99Å; L464-W510 VanDerWaalsContact CD2-CE2 3.48Å; L464-W510 HydrophobicContact CD2-CE3 4.37Å; L464-W510 HydrophobicContact CD2-CH2 3.84Å; L464-W510 HydrophobicContact CD2-CZ2 3.41Å; L464-W510 VanDerWaalsContact CD2-CZ2 3.41Å; L464-W510 HydrophobicContact CD2-CZ3 4.3Å
465	K	93.4	Very high	90	Very high	141 Å²	141	73 Å²	73	61%	0.613	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.4	176.8	-64.4	-172.4	178.5	-174.1	0	110.5	T463 V494	T463-K465 HydrophobicContact CG2-CG 4.31Å; K465-V494 WeakPolarHBondContact CA-O 3.32Å; K465-V494 HydrophobicContact CG-CB 4.32Å
466	V	95.2	Very high	90.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.8	-173.3	-64.9	0	0	0	0	112.1	L464 V493 V494 F495 Q496	L464-V466 HydrophobicContact CD2-CG1 3.88Å; L464-V466 HydrophobicContact CG-CG1 3.81Å; V466-V493 HydrophobicContact CG2-CG1 3.84Å; V466-V494 PolarHBondContact N-O 3.13Å; V466-F495 HydrophobicContact CG2-CD1 3.75Å; V466-F495 HydrophobicContact CG2-CE1 3.87Å; V466-F495 CarbonylContact O-C 3.53Å; V466-F495 WeakPolarHBondContact O-CA 3.43Å; V466-Q496 WeakPolarHBondContact O-CG 3.41Å; V466-Q496 PolarHBondContact O-N 3.27Å
467	S	94.9	Very high	90.7	Very high	20 Å²	20	66.9 Å²	66.9	14%	0.14	33%	0.329	C	S	.	.			trans	-98.8	131.9	175.7	-178.1	0	0	0	0	110	H469 A470 L471 S474	S467-H469 VanDerWaalsContact C-N 3.29Å; S467-H469 PolarHBondContact O-N 3.36Å; S467-H469 PolarHBondContact OG-N 2.79Å; S467-A470 CarbonylContact O-C 3.55Å; S467-A470 PolarHBondContact O-N 2.85Å; S467-L471 WeakPolarHBondContact O-CA 3.01Å; S467-L471 PolarHBondContact O-N 3.13Å; S467-L471 VanDerWaalsContact O-N 3.17Å; S467-S474 PolarHBondContact N-OG 3.42Å; S467-S474 PolarHBondContact O-OG 3.25Å
468	R	91.3	Very high	91.2	Very high	89 Å²	89	65.7 Å²	65.7	34%	0.336	33%	0.332	S	S	.	.	S	Bend	trans	-60.9	-39	172.1	-69.5	-171	-178.8	-97.6	-0.5	112	A470 F495 E498 E509	R468-A470 PolarHBondContact O-N 2.7Å; R468-F495 HydrophobicContact CG-CB 4.44Å; R468-F495 HydrophobicContact CG-CD1 3.46Å; R468-F495 VanDerWaalsContact CG-CD1 3.46Å; R468-F495 HydrophobicContact CG-CE1 3.91Å; R468-F495 HydrophobicContact CG-CG 4.09Å; R468-E498 WeakPolarHBondContact CD-OE1 3.4Å; R468-E498 IonicContact CZ-OE1 3.38Å; R468-E498 IonicContact CZ-OE2 3.06Å; R468-E498 VanDerWaalsContact NE-CD 3.34Å; R468-E498 IonicContact NE-OE1 3.22Å; R468-E498 PolarHBondContact NE-OE1 3.13Å; R468-E498 IonicContact NE-OE2 2.63Å; R468-E498 PolarHBondContact NE-OE2 2.71Å; R468-E498 IonicContact NH2-OE1 3.54Å; R468-E498 IonicContact NH2-OE2 2.65Å; R468-E498 PolarHBondContact NH2-OE2 3.16Å; R468-E509 IonicContact CZ-OE1 2.94Å; R468-E509 IonicContact CZ-OE2 2.65Å; R468-E509 VanDerWaalsContact NH1-CD 3.33Å; R468-E509 IonicContact NH1-OE1 2.76Å; R468-E509 PolarHBondContact NH1-OE1 3.39Å; R468-E509 IonicContact NH1-OE2 3.2Å; R468-E509 IonicContact NH2-OE1 3.6Å; R468-E509 PolarHBondContact NH2-OE1 3.24Å; R468-E509 IonicContact NH2-OE2 3.91Å; R468-E509 PolarHBondContact NH2-OE2 3.07Å
469	H	91.6	Very high	92.2	Very high	192 Å²	192	63.2 Å²	63.2	89%	0.889	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.5	-176.8	-61.4	-63.1	0	0	0	113.7	S467	S467-H469 VanDerWaalsContact C-N 3.29Å; S467-H469 PolarHBondContact O-N 3.36Å; S467-H469 PolarHBondContact OG-N 2.79Å
470	A	92.2	Very high	93.1	Very high	38 Å²	38	65.3 Å²	65.3	31%	0.314	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	50.4	178.5	0	0	0	0	0	110.4	S467 R468 L472 E473 S474	S467-A470 CarbonylContact O-C 3.55Å; S467-A470 PolarHBondContact O-N 2.85Å; R468-A470 PolarHBondContact O-N 2.7Å; A470-L472 PolarHBondContact O-N 3.5Å; A470-E473 PolarHBondContact O-N 3.22Å; A470-S474 WeakPolarHBondContact O-CB 3.33Å; A470-S474 PolarHBondContact O-N 2.76Å; A470-S474 PolarHBondContact O-OG 2.92Å
471	L	93.4	Very high	93.4	Very high	20 Å²	20	69.6 Å²	69.6	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-58.1	-50.9	-166.3	-173.1	68.2	0	0	0	113.5	S467 S474 S475 F495 L513 I514 A517	S467-L471 WeakPolarHBondContact O-CA 3.01Å; S467-L471 PolarHBondContact O-N 3.13Å; S467-L471 VanDerWaalsContact O-N 3.17Å; L471-S474 PolarHBondContact O-OG 3.34Å; L471-S475 WeakPolarHBondContact O-CB 3.43Å; L471-S475 PolarHBondContact O-N 3.39Å; L471-S475 PolarHBondContact O-OG 3.26Å; L471-F495 HydrophobicContact CD1-CE1 4.33Å; L471-L513 VanDerWaalsContact CD2-C 3.46Å; L471-L513 HydrophobicContact CD2-CB 3.48Å; L471-L513 VanDerWaalsContact CD2-CB 3.48Å; L471-I514 HydrophobicContact CD2-CB 4.42Å; L471-I514 HydrophobicContact CD2-CD1 4.33Å; L471-I514 HydrophobicContact CG-CD1 3.91Å; L471-A517 HydrophobicContact CD2-CB 4.42Å
472	L	92.2	Very high	93.7	Very high	29 Å²	29	66 Å²	66	15%	0.152	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-50.4	179.7	-75.2	168.7	0	0	0	112	A470 L476 I514 A517 L518 N523	A470-L472 PolarHBondContact O-N 3.5Å; L472-L476 WeakPolarHBondContact O-CB 3.31Å; L472-L476 PolarHBondContact O-N 2.83Å; L472-I514 HydrophobicContact CD2-CD1 3.73Å; L472-I514 HydrophobicContact CG-CD1 4.35Å; L472-A517 HydrophobicContact CD1-CB 4.11Å; L472-A517 HydrophobicContact CD2-CB 4.22Å; L472-A517 HydrophobicContact CG-CB 3.96Å; L472-L518 HydrophobicContact CD2-CB 4.03Å; L472-L518 HydrophobicContact CD2-CD1 3.91Å; L472-N523 HydrophobicContact CD1-CB 4.1Å; L472-N523 VanDerWaalsContact CD1-CG 3.49Å
473	E	92.6	Very high	93.7	Very high	139 Å²	139	67.5 Å²	67.5	65%	0.65	33%	0.333	S	S	*	.	H	α-helix	trans	-65	-47.8	-177.3	-173.7	-175.2	169.9	0	0	111.8	A470 L476 K477	A470-E473 PolarHBondContact O-N 3.22Å; E473-L476 PolarHBondContact O-N 3.2Å; E473-K477 VanDerWaalsContact O-CB 3.27Å; E473-K477 WeakPolarHBondContact O-CB 3.49Å; E473-K477 PolarHBondContact O-N 2.96Å
474	S	95.7	Very high	93.6	Very high	16 Å²	16	67.6 Å²	67.6	11%	0.112	33%	0.33	C	S	.	.	H	α-helix	trans	-66.1	-39.6	-179.3	65.5	0	0	0	0	111.8	S467 A470 L471 K477 A478	S467-S474 PolarHBondContact N-OG 3.42Å; S467-S474 PolarHBondContact O-OG 3.25Å; A470-S474 WeakPolarHBondContact O-CB 3.33Å; A470-S474 PolarHBondContact O-N 2.76Å; A470-S474 PolarHBondContact O-OG 2.92Å; L471-S474 PolarHBondContact O-OG 3.34Å; S474-K477 PolarHBondContact O-N 3.47Å; S474-A478 VanDerWaalsContact O-CB 3.26Å; S474-A478 WeakPolarHBondContact O-CB 3.33Å; S474-A478 PolarHBondContact O-N 3.01Å
475	S	96.1	Very high	93.5	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-48.3	175.9	-60.3	0	0	0	0	111.3	L471 K477 A478 T479 W510	L471-S475 WeakPolarHBondContact O-CB 3.43Å; L471-S475 PolarHBondContact O-N 3.39Å; L471-S475 PolarHBondContact O-OG 3.26Å; S475-K477 VanDerWaalsContact C-N 3.31Å; S475-K477 PolarHBondContact O-N 2.99Å; S475-A478 PolarHBondContact O-N 3.34Å; S475-T479 PolarHBondContact O-N 2.84Å; S475-T479 PolarHBondContact O-OG1 3.09Å; S475-T479 VanDerWaalsContact O-OG1 3.12Å; S475-W510 PolarHBondContact OG-NE1 2.98Å
476	L	93.4	Very high	93.5	Very high	39 Å²	39	64.6 Å²	64.6	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-44.2	176.8	178.7	71	0	0	0	111.4	L472 E473 T479 R480 M551 F554	L472-L476 WeakPolarHBondContact O-CB 3.31Å; L472-L476 PolarHBondContact O-N 2.83Å; E473-L476 PolarHBondContact O-N 3.2Å; L476-T479 PolarHBondContact O-N 3.26Å; L476-T479 PolarHBondContact O-OG1 2.95Å; L476-R480 WeakPolarHBondContact O-CA 3.4Å; L476-R480 WeakPolarHBondContact O-CB 3.14Å; L476-R480 PolarHBondContact O-N 3Å; L476-M551 HydrophobicContact CD2-CE 3.41Å; L476-M551 VanDerWaalsContact CD2-CE 3.41Å; L476-M551 HydrophobicContact CD2-SD 3.63Å; L476-F554 HydrophobicContact CD1-CB 3.78Å; L476-F554 HydrophobicContact CD1-CD1 4.31Å; L476-F554 HydrophobicContact CD1-CD2 3.96Å; L476-F554 HydrophobicContact CD1-CG 3.76Å
477	K	94.4	Very high	93.5	Very high	164 Å²	164	64.8 Å²	64.8	71%	0.713	33%	0.325	S	S	*	.	H	α-helix	trans	-61.8	-45.1	178.5	-177.4	179.6	178	-179.4	0	111.1	E473 S474 S475 T479 R480	E473-K477 VanDerWaalsContact O-CB 3.27Å; E473-K477 WeakPolarHBondContact O-CB 3.49Å; E473-K477 PolarHBondContact O-N 2.96Å; S474-K477 PolarHBondContact O-N 3.47Å; S475-K477 VanDerWaalsContact C-N 3.31Å; S475-K477 PolarHBondContact O-N 2.99Å; K477-T479 VanDerWaalsContact C-N 3.34Å; K477-T479 PolarHBondContact O-N 2.78Å; K477-R480 WeakPolarHBondContact O-CB 3.26Å; K477-R480 PolarHBondContact O-N 3.46Å
478	A	95.1	Very high	93.3	Very high	33 Å²	33	64 Å²	64	27%	0.273	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-36.3	-179.7	0	0	0	0	0	112.3	L464 S474 S475 F482	L464-A478 HydrophobicContact CD1-CB 3.55Å; L464-A478 HydrophobicContact CG-CB 4.39Å; S474-A478 VanDerWaalsContact O-CB 3.26Å; S474-A478 WeakPolarHBondContact O-CB 3.33Å; S474-A478 PolarHBondContact O-N 3.01Å; S475-A478 PolarHBondContact O-N 3.34Å; A478-F482 VanDerWaalsContact O-CE1 3.27Å; A478-F482 WeakPolarHBondContact O-CE1 3.33Å
479	T	95.9	Very high	93.3	Very high	6 Å²	6	61.5 Å²	61.5	4%	0.037	31%	0.311	C	S	.	.	H	α-helix	trans	-93.2	-0.9	179.7	64	0	0	0	0	114.3	L464 S475 L476 K477 N481 F482 W487 F554	L464-T479 HydrophobicContact CD1-CG2 3.62Å; S475-T479 PolarHBondContact O-N 2.84Å; S475-T479 PolarHBondContact O-OG1 3.09Å; S475-T479 VanDerWaalsContact O-OG1 3.12Å; L476-T479 PolarHBondContact O-N 3.26Å; L476-T479 PolarHBondContact O-OG1 2.95Å; K477-T479 VanDerWaalsContact C-N 3.34Å; K477-T479 PolarHBondContact O-N 2.78Å; T479-N481 PolarHBondContact O-N 3.38Å; T479-N481 VanDerWaalsContact O-N 3.1Å; T479-F482 HydrophobicContact CG2-CD2 3.97Å; T479-F482 HydrophobicContact CG2-CE2 3.97Å; T479-F482 WeakPolarHBondContact O-CB 3.49Å; T479-F482 PolarHBondContact O-N 2.75Å; T479-W487 HydrophobicContact CG2-CH2 3.98Å; T479-W487 HydrophobicContact CG2-CZ2 3.84Å; T479-F554 HydrophobicContact CG2-CE2 4.34Å; T479-F554 VanDerWaalsContact OG1-CE2 3.26Å; T479-F554 WeakPolarHBondContact OG1-CE2 3.37Å
480	R	92.5	Very high	93.2	Very high	175 Å²	175	53.9 Å²	53.9	66%	0.66	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-36	-169	178.6	177.4	169.9	173.7	-1.6	114.2	L476 K477	L476-R480 WeakPolarHBondContact O-CA 3.4Å; L476-R480 WeakPolarHBondContact O-CB 3.14Å; L476-R480 PolarHBondContact O-N 3Å; K477-R480 WeakPolarHBondContact O-CB 3.26Å; K477-R480 PolarHBondContact O-N 3.46Å
481	N	93.3	Very high	93.1	Very high	147 Å²	147	52.1 Å²	52.1	79%	0.786	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	8.2	-176.9	-62.3	-20.5	0	0	0	112.5	T479 S483	T479-N481 PolarHBondContact O-N 3.38Å; T479-N481 VanDerWaalsContact O-N 3.1Å; N481-S483 PolarHBondContact O-N 2.65Å
482	F	95	Very high	93	Very high	44 Å²	44	54 Å²	54	19%	0.193	27%	0.27	C	S	.	.			trans	-66.5	129.3	179.7	-81.1	15.9	0	0	0	109.8	V462 L464 A478 T479 D486 W487 F491	V462-F482 HydrophobicContact CG1-CE2 4.25Å; V462-F482 HydrophobicContact CG2-CE1 4.36Å; V462-F482 HydrophobicContact CG2-CE2 4.29Å; V462-F482 HydrophobicContact CG2-CZ 3.79Å; L464-F482 HydrophobicContact CD1-CE2 4.24Å; L464-F482 HydrophobicContact CD1-CZ 4.18Å; A478-F482 VanDerWaalsContact O-CE1 3.27Å; A478-F482 WeakPolarHBondContact O-CE1 3.33Å; T479-F482 HydrophobicContact CG2-CD2 3.97Å; T479-F482 HydrophobicContact CG2-CE2 3.97Å; T479-F482 WeakPolarHBondContact O-CB 3.49Å; T479-F482 PolarHBondContact O-N 2.75Å; F482-D486 HydrophobicContact CB-CB 3.82Å; F482-D486 HydrophobicContact CD1-CB 4.29Å; F482-D486 HydrophobicContact CD2-CB 3.95Å; F482-D486 HydrophobicContact CG-CB 3.77Å; F482-W487 HydrophobicContact CB-CG 4.5Å; F482-F491 HydrophobicContact CD2-CE1 4.28Å; F482-F491 AromaticContact CD2-CZ 3.99Å; F482-F491 HydrophobicContact CD2-CZ 3.99Å; F482-F491 AromaticContact CE2-CE1 3.92Å; F482-F491 HydrophobicContact CE2-CE1 3.92Å; F482-F491 AromaticContact CE2-CZ 3.79Å; F482-F491 HydrophobicContact CE2-CZ 3.79Å
483	S	93.2	Very high	92.9	Very high	54 Å²	54	52.7 Å²	52.7	38%	0.378	26%	0.263	S	S	.	.			trans	-73.7	167.7	167.7	69.5	0	0	0	0	110.5	N481 S485 D486 W487	N481-S483 PolarHBondContact O-N 2.65Å; S483-S485 PolarHBondContact O-N 2.95Å; S483-S485 WeakPolarHBondContact OG-CB 3.43Å; S483-S485 PolarHBondContact OG-N 2.95Å; S483-D486 WeakPolarHBondContact CB-OD2 3.4Å; S483-D486 PolarHBondContact N-OD2 3.32Å; S483-D486 PolarHBondContact O-N 2.82Å; S483-D486 PolarHBondContact OG-N 3.14Å; S483-D486 PolarHBondContact OG-OD2 2.58Å; S483-W487 PolarHBondContact O-N 2.93Å
484	I	90.5	Very high	92.8	Very high	73 Å²	73	48 Å²	48	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-54	-34.2	169.9	-65.2	175.9	0	0	0	111.3	R457 S488 E685	R457-I484 VanDerWaalsContact CZ-CG2 3.42Å; I484-S488 PolarHBondContact O-N 2.83Å; I484-S488 PolarHBondContact O-OG 3.08Å; I484-E685 HydrophobicContact CD1-CB 4.36Å; I484-E685 HydrophobicContact CD1-CG 4.31Å; I484-E685 HydrophobicContact CG1-CB 4.23Å; I484-E685 HydrophobicContact CG1-CG 4.37Å
485	S	91.1	Very high	92.6	Very high	44 Å²	44	47.3 Å²	47.3	31%	0.308	24%	0.239	S	C	.	.	H	α-helix	trans	-65.4	-42.3	175.2	-172.5	0	0	0	0	111.6	S483 S488 K489	S483-S485 PolarHBondContact O-N 2.95Å; S483-S485 WeakPolarHBondContact OG-CB 3.43Å; S483-S485 PolarHBondContact OG-N 2.95Å; S485-S488 WeakPolarHBondContact O-CB 3.43Å; S485-S488 PolarHBondContact O-N 2.77Å; S485-S488 VanDerWaalsContact O-N 3.17Å; S485-K489 PolarHBondContact O-N 3.33Å
486	D	94.1	Very high	92.3	Very high	34 Å²	34	51.8 Å²	51.8	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-41.1	178.4	-57.7	-54.1	0	0	0	111.8	F482 S483 S488 K489 F491	F482-D486 HydrophobicContact CB-CB 3.82Å; F482-D486 HydrophobicContact CD1-CB 4.29Å; F482-D486 HydrophobicContact CD2-CB 3.95Å; F482-D486 HydrophobicContact CG-CB 3.77Å; S483-D486 WeakPolarHBondContact CB-OD2 3.4Å; S483-D486 PolarHBondContact N-OD2 3.32Å; S483-D486 PolarHBondContact O-N 2.82Å; S483-D486 PolarHBondContact OG-N 3.14Å; S483-D486 PolarHBondContact OG-OD2 2.58Å; D486-S488 PolarHBondContact O-N 2.63Å; D486-K489 WeakPolarHBondContact O-CB 3.4Å; D486-K489 PolarHBondContact O-N 3.34Å; D486-K489 IonicContact OD1-NZ 2.66Å; D486-K489 PolarHBondContact OD1-NZ 2.65Å; D486-F491 WeakPolarHBondContact O-CE1 3.28Å
487	W	94.1	Very high	92	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-25.8	173.6	-80.6	99.9	0	0	0	113.6	T479 F482 S483 F491 F554 R557 L558 K561 L686	T479-W487 HydrophobicContact CG2-CH2 3.98Å; T479-W487 HydrophobicContact CG2-CZ2 3.84Å; F482-W487 HydrophobicContact CB-CG 4.5Å; S483-W487 PolarHBondContact O-N 2.93Å; W487-F491 HydrophobicContact CD2-CZ 4.31Å; W487-F491 HydrophobicContact CE3-CE2 4.38Å; W487-F491 AromaticContact CE3-CZ 3.87Å; W487-F491 HydrophobicContact CE3-CZ 3.87Å; W487-F491 HydrophobicContact CZ3-CE2 4.15Å; W487-F491 HydrophobicContact CZ3-CZ 4.09Å; W487-F554 AromaticContact CH2-CD2 3.96Å; W487-F554 HydrophobicContact CH2-CD2 3.96Å; W487-F554 AromaticContact CH2-CE2 3.71Å; W487-F554 HydrophobicContact CH2-CE2 3.71Å; W487-F554 HydrophobicContact CZ2-CD2 4.07Å; W487-F554 HydrophobicContact CZ2-CE2 4.1Å; W487-R557 HydrophobicContact CD2-CB 4.21Å; W487-R557 HydrophobicContact CE3-CB 4.14Å; W487-R557 HydrophobicContact CH2-CB 3.97Å; W487-R557 HydrophobicContact CZ2-CB 3.99Å; W487-R557 HydrophobicContact CZ3-CB 4.04Å; W487-L558 HydrophobicContact CH2-CD2 4.32Å; W487-L558 HydrophobicContact CZ3-CD2 4.23Å; W487-K561 HydrophobicContact CE3-CB 4.25Å; W487-K561 HydrophobicContact CE3-CD 3.79Å; W487-K561 HydrophobicContact CZ3-CB 4.46Å; W487-K561 HydrophobicContact CZ3-CD 3.99Å; W487-K561 PolarHBondContact O-NZ 3.47Å; W487-L686 HydrophobicContact CB-CD1 4.22Å; W487-L686 HydrophobicContact CB-CD2 3.93Å; W487-L686 HydrophobicContact CB-CG 4.49Å; W487-L686 HydrophobicContact CE3-CD1 4.5Å
488	S	91.8	Very high	91.4	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.021	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.2	176.9	-51.1	0	0	0	0	113.8	H454 R457 I484 S485 D486 Y564	H454-S488 PolarHBondContact ND1-OG 2.61Å; R457-S488 WeakPolarHBondContact CD-OG 3.35Å; R457-S488 PolarHBondContact NH1-OG 2.97Å; I484-S488 PolarHBondContact O-N 2.83Å; I484-S488 PolarHBondContact O-OG 3.08Å; S485-S488 WeakPolarHBondContact O-CB 3.43Å; S485-S488 PolarHBondContact O-N 2.77Å; S485-S488 VanDerWaalsContact O-N 3.17Å; D486-S488 PolarHBondContact O-N 2.63Å; S488-Y564 WeakPolarHBondContact O-CE1 3.25Å
489	K	91.8	Very high	90.3	Very high	38 Å²	38	62.3 Å²	62.3	17%	0.165	31%	0.311	C	S	.	.	S	Bend	trans	-75.9	157.4	174.2	-72.9	173.5	-168.6	162.7	0	110.6	S460 V462 S485 D486 K561	S460-K489 WeakPolarHBondContact O-CB 3.07Å; S460-K489 WeakPolarHBondContact O-CG 3.31Å; S460-K489 WeakPolarHBondContact OG-CE 3.36Å; V462-K489 HydrophobicContact CB-CB 4.27Å; V462-K489 HydrophobicContact CB-CD 4.04Å; V462-K489 HydrophobicContact CG1-CB 3.8Å; V462-K489 HydrophobicContact CG1-CD 4.37Å; S485-K489 PolarHBondContact O-N 3.33Å; D486-K489 WeakPolarHBondContact O-CB 3.4Å; D486-K489 PolarHBondContact O-N 3.34Å; D486-K489 IonicContact OD1-NZ 2.66Å; D486-K489 PolarHBondContact OD1-NZ 2.65Å; K489-K561 PolarHBondContact O-NZ 3.48Å
490	N	88.1	Confident	88.6	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.171	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.6	170.9	-171.9	19	0	0	0	109.3	S460 K461 V462 R507	S460-N490 PolarHBondContact O-N 3.5Å; S460-N490 VanDerWaalsContact O-N 3.16Å; K461-N490 CarbonylContact C-O 3.56Å; K461-N490 VanDerWaalsContact CA-O 3.25Å; K461-N490 WeakPolarHBondContact CA-O 3.31Å; K461-N490 HydrophobicContact CG-CB 4.42Å; V462-N490 PolarHBondContact N-O 3.32Å; N490-R507 WeakPolarHBondContact OD1-CD 3.42Å
491	F	91.2	Very high	87	Confident	1 Å²	1	62.8 Å²	62.8	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130	178.9	-74.1	6.8	0	0	0	109.8	V462 L464 F482 D486 W487 V493 R507 W510 K561	V462-F491 HydrophobicContact CG1-CD1 3.39Å; V462-F491 HydrophobicContact CG1-CE1 3.61Å; V462-F491 HydrophobicContact CG1-CG 4.45Å; V462-F491 WeakPolarHBondContact O-CA 3.1Å; L464-F491 HydrophobicContact CD2-CD2 4.01Å; L464-F491 HydrophobicContact CD2-CE2 4.36Å; F482-F491 HydrophobicContact CD2-CE1 4.28Å; F482-F491 AromaticContact CD2-CZ 3.99Å; F482-F491 HydrophobicContact CD2-CZ 3.99Å; F482-F491 AromaticContact CE2-CE1 3.92Å; F482-F491 HydrophobicContact CE2-CE1 3.92Å; F482-F491 AromaticContact CE2-CZ 3.79Å; F482-F491 HydrophobicContact CE2-CZ 3.79Å; D486-F491 WeakPolarHBondContact O-CE1 3.28Å; W487-F491 HydrophobicContact CD2-CZ 4.31Å; W487-F491 HydrophobicContact CE3-CE2 4.38Å; W487-F491 AromaticContact CE3-CZ 3.87Å; W487-F491 HydrophobicContact CE3-CZ 3.87Å; W487-F491 HydrophobicContact CZ3-CE2 4.15Å; W487-F491 HydrophobicContact CZ3-CZ 4.09Å; F491-V493 HydrophobicContact CB-CG2 4.31Å; F491-R507 VanDerWaalsContact O-CD 3.31Å; F491-R507 WeakPolarHBondContact O-CD 3.32Å; F491-W510 HydrophobicContact CD2-CH2 4.04Å; F491-W510 AromaticContact CD2-CZ3 3.8Å; F491-W510 HydrophobicContact CD2-CZ3 3.8Å; F491-W510 AromaticContact CE2-CH2 3.94Å; F491-W510 HydrophobicContact CE2-CH2 3.94Å; F491-W510 HydrophobicContact CE2-CZ3 4.1Å; F491-K561 VanDerWaalsContact CD1-CE 3.43Å; F491-K561 HydrophobicContact CD2-CD 4.15Å; F491-K561 HydrophobicContact CE1-CD 4.22Å; F491-K561 VanDerWaalsContact CE1-CE 3.44Å; F491-K561 HydrophobicContact CE2-CD 3.71Å; F491-K561 VanDerWaalsContact CG-CE 3.41Å; F491-K561 HydrophobicContact CZ-CD 3.75Å; F491-K561 VanDerWaalsContact CZ-CE 3.4Å
492	E	90.1	Very high	85.3	Confident	60 Å²	60	56.7 Å²	56.7	28%	0.28	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	102.1	165.9	177	176.1	-127.6	0	0	107.4	K461 V462 T463 L464 D502	K461-E492 HydrophobicContact CD-CB 4.48Å; V462-E492 PolarHBondContact O-N 3.18Å; T463-E492 CarbonylContact C-O 3.55Å; T463-E492 WeakPolarHBondContact CA-O 3.1Å; T463-E492 PolarHBondContact OG1-OE2 3.42Å; T463-E492 VanDerWaalsContact OG1-OE2 3.11Å; L464-E492 PolarHBondContact N-O 2.91Å; E492-D502 WeakPolarHBondContact CA-OD2 3.45Å; E492-D502 HydrophobicContact CG-CB 4.13Å
493	V	91.1	Very high	83.7	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128	-174	-179.6	0	0	0	0	110	L464 V466 F491 F495 D502 P506 R507 W510	L464-V493 HydrophobicContact CB-CG2 4.43Å; L464-V493 HydrophobicContact CD2-CG2 4.29Å; L464-V493 WeakPolarHBondContact O-CA 3.36Å; V466-V493 HydrophobicContact CG2-CG1 3.84Å; F491-V493 HydrophobicContact CB-CG2 4.31Å; V493-F495 HydrophobicContact CG1-CE2 4.32Å; V493-F495 HydrophobicContact CG1-CZ 4.41Å; V493-D502 PolarHBondContact N-OD2 3.06Å; V493-P506 HydrophobicContact CB-CB 4.31Å; V493-P506 WeakPolarHBondContact O-CB 3.46Å; V493-R507 HydrophobicContact CG2-CB 4.18Å; V493-R507 HydrophobicContact CG2-CG 4.44Å; V493-W510 HydrophobicContact CB-CB 4.36Å; V493-W510 HydrophobicContact CG1-CB 3.83Å; V493-W510 HydrophobicContact CG1-CG 4.04Å; V493-W510 HydrophobicContact CG2-CB 4.01Å; V493-W510 HydrophobicContact CG2-CD2 4.23Å; V493-W510 HydrophobicContact CG2-CE3 4.3Å; V493-W510 HydrophobicContact CG2-CG 4.11Å
494	V	90.7	Very high	82.2	Confident	41 Å²	41	64.1 Å²	64.1	25%	0.248	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	111.9	172.7	-179	0	0	0	0	108	T463 L464 K465 V466	T463-V494 HydrophobicContact CG2-CG2 3.95Å; L464-V494 PolarHBondContact O-N 2.67Å; K465-V494 WeakPolarHBondContact CA-O 3.32Å; K465-V494 HydrophobicContact CG-CB 4.32Å; V466-V494 PolarHBondContact N-O 3.13Å
495	F	90.8	Very high	81.4	Confident	2 Å²	2	62 Å²	62	1%	0.009	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	132.3	167.8	-69	-74.2	0	0	0	108.9	V466 R468 L471 V493 D497 E498 P506 W510 L513	V466-F495 HydrophobicContact CG2-CD1 3.75Å; V466-F495 HydrophobicContact CG2-CE1 3.87Å; V466-F495 CarbonylContact O-C 3.53Å; V466-F495 WeakPolarHBondContact O-CA 3.43Å; R468-F495 HydrophobicContact CG-CB 4.44Å; R468-F495 HydrophobicContact CG-CD1 3.46Å; R468-F495 VanDerWaalsContact CG-CD1 3.46Å; R468-F495 HydrophobicContact CG-CE1 3.91Å; R468-F495 HydrophobicContact CG-CG 4.09Å; L471-F495 HydrophobicContact CD1-CE1 4.33Å; V493-F495 HydrophobicContact CG1-CE2 4.32Å; V493-F495 HydrophobicContact CG1-CZ 4.41Å; F495-D497 PolarHBondContact O-N 3.34Å; F495-E498 HydrophobicContact CB-CB 4.16Å; F495-E498 HydrophobicContact CB-CG 4.29Å; F495-E498 PolarHBondContact O-N 2.8Å; F495-P506 HydrophobicContact CD2-CB 4.41Å; F495-P506 HydrophobicContact CE2-CB 4.24Å; F495-W510 HydrophobicContact CZ-CB 3.99Å; F495-L513 HydrophobicContact CZ-CD1 4.29Å
496	Q	90.8	Very high	80.9	Confident	94 Å²	94	60.9 Å²	60.9	44%	0.439	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	139.4	178.1	-72.3	173.8	1.5	0	0	109.8	V466 E498	V466-Q496 WeakPolarHBondContact O-CG 3.41Å; V466-Q496 PolarHBondContact O-N 3.27Å; Q496-E498 PolarHBondContact O-N 3.37Å
497	D	86.5	Confident	80.4	Confident	172 Å²	172	59.6 Å²	59.6	92%	0.92	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	15.6	178.5	-45.8	-47.2	0	0	0	115.2	F495	F495-D497 PolarHBondContact O-N 3.34Å
498	E	81.8	Confident	79.8	Confident	73 Å²	73	65.9 Å²	65.9	34%	0.341	33%	0.326	S	S	.	.			trans	-117.3	128.2	175.7	-73.2	170.3	-130.9	0	0	111.9	R468 F495 Q496 A500	R468-E498 WeakPolarHBondContact CD-OE1 3.4Å; R468-E498 IonicContact CZ-OE1 3.38Å; R468-E498 IonicContact CZ-OE2 3.06Å; R468-E498 VanDerWaalsContact NE-CD 3.34Å; R468-E498 IonicContact NE-OE1 3.22Å; R468-E498 PolarHBondContact NE-OE1 3.13Å; R468-E498 IonicContact NE-OE2 2.63Å; R468-E498 PolarHBondContact NE-OE2 2.71Å; R468-E498 IonicContact NH2-OE1 3.54Å; R468-E498 IonicContact NH2-OE2 2.65Å; R468-E498 PolarHBondContact NH2-OE2 3.16Å; F495-E498 HydrophobicContact CB-CB 4.16Å; F495-E498 HydrophobicContact CB-CG 4.29Å; F495-E498 PolarHBondContact O-N 2.8Å; Q496-E498 PolarHBondContact O-N 3.37Å; E498-A500 PolarHBondContact O-N 3.04Å
499	E	72.6	Confident	79.4	Confident	212 Å²	212	69.1 Å²	69.1	99%	0.991	34%	0.34	S	S	*	.			trans	-82.2	86	169.3	-69.7	-170.9	168.5	0	0	110
500	A	60.3	Low	79.4	Confident	43 Å²	43	67.3 Å²	67.3	36%	0.355	33%	0.333	S	S	.	.			trans	-123.1	124.7	173.1	0	0	0	0	0	111.3	E498 P506	E498-A500 PolarHBondContact O-N 3.04Å; A500-P506 HydrophobicContact CB-CG 3.9Å
501	L	58.5	Low	79.5	Confident	148 Å²	148	65.9 Å²	65.9	78%	0.775	33%	0.325	S	S	*	.			trans	-82.1	113.8	165.7	-73.5	165.6	0	0	0	108.4	W503	L501-W503 PolarHBondContact O-N 2.81Å
502	D	56.7	Low	79.3	Confident	18 Å²	18	70.5 Å²	70.5	10%	0.096	35%	0.346	C	S	.	.			trans	-76	85.7	-175.9	-169.4	10	0	0	0	112	E492 V493 G504 G505 P506 R507	E492-D502 WeakPolarHBondContact CA-OD2 3.45Å; E492-D502 HydrophobicContact CG-CB 4.13Å; V493-D502 PolarHBondContact N-OD2 3.06Å; D502-G504 PolarHBondContact O-N 2.86Å; D502-G504 WeakPolarHBondContact OD1-CA 3.32Å; D502-G504 PolarHBondContact OD1-N 3.06Å; D502-G505 PolarHBondContact OD1-N 3.05Å; D502-P506 HydrophobicContact CB-CB 4.35Å; D502-P506 HydrophobicContact CB-CG 4.19Å; D502-P506 WeakPolarHBondContact OD1-CD 3.41Å; D502-R507 PolarHBondContact OD1-N 3.42Å; D502-R507 WeakPolarHBondContact OD2-CB 3.49Å
503	W	62.3	Low	79.4	Confident	241 Å²	241	70.2 Å²	70.2	91%	0.913	35%	0.347	S	S	*	.	S	Bend	trans	-79	19.8	163.8	-66.8	100	0	0	0	112.4	L501	L501-W503 PolarHBondContact O-N 2.81Å
504	G	61.7	Low	79.5	Confident	13 Å²	13	70.2 Å²	70.2	13%	0.134	35%	0.347	C	S	.	.	S	Bend	trans	97	0.1	-177.5	0	0	0	0	0	114.5	D502 R508	D502-G504 PolarHBondContact O-N 2.86Å; D502-G504 WeakPolarHBondContact OD1-CA 3.32Å; D502-G504 PolarHBondContact OD1-N 3.06Å; G504-R508 VanDerWaalsContact O-CG 3.27Å; G504-R508 WeakPolarHBondContact O-CG 3.49Å; G504-R508 PolarHBondContact O-N 2.51Å; G504-R508 PolarHBondContact O-NE 2.91Å
505	G	73.2	Confident	79.6	Confident	30 Å²	30	68.3 Å²	68.3	31%	0.309	34%	0.335	S	S	.	.	H	α-helix	trans	-71.2	-67	174	0	0	0	0	0	111.5	D502 R507 R508 E509	D502-G505 PolarHBondContact OD1-N 3.05Å; G505-R507 VanDerWaalsContact C-N 3.25Å; G505-R507 PolarHBondContact O-N 3.18Å; G505-R508 PolarHBondContact O-N 2.95Å; G505-E509 PolarHBondContact O-N 3.32Å
506	P	80.4	Confident	79.5	Confident	19 Å²	19	74.2 Å²	74.2	12%	0.123	36%	0.36	C	S	.	.	H	α-helix	trans	-49.8	-40.8	176.7	-30.3	34.5	0	0	0	114.2	V493 F495 A500 D502 E509 W510	V493-P506 HydrophobicContact CB-CB 4.31Å; V493-P506 WeakPolarHBondContact O-CB 3.46Å; F495-P506 HydrophobicContact CD2-CB 4.41Å; F495-P506 HydrophobicContact CE2-CB 4.24Å; A500-P506 HydrophobicContact CB-CG 3.9Å; D502-P506 HydrophobicContact CB-CB 4.35Å; D502-P506 HydrophobicContact CB-CG 4.19Å; D502-P506 WeakPolarHBondContact OD1-CD 3.41Å; P506-E509 PolarHBondContact O-N 3.07Å; P506-W510 WeakPolarHBondContact O-CB 3.24Å; P506-W510 PolarHBondContact O-N 2.84Å
507	R	83.7	Confident	79.6	Confident	7 Å²	7	70.8 Å²	70.8	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-59.1	-50.5	175	-178.5	-172.9	60.5	87.1	11.1	113	N490 F491 V493 D502 G505 E509 W510 F511 E565 A571	N490-R507 WeakPolarHBondContact OD1-CD 3.42Å; F491-R507 VanDerWaalsContact O-CD 3.31Å; F491-R507 WeakPolarHBondContact O-CD 3.32Å; V493-R507 HydrophobicContact CG2-CB 4.18Å; V493-R507 HydrophobicContact CG2-CG 4.44Å; D502-R507 PolarHBondContact OD1-N 3.42Å; D502-R507 WeakPolarHBondContact OD2-CB 3.49Å; G505-R507 VanDerWaalsContact C-N 3.25Å; G505-R507 PolarHBondContact O-N 3.18Å; R507-E509 VanDerWaalsContact C-N 3.35Å; R507-W510 PolarHBondContact O-N 3.15Å; R507-F511 HydrophobicContact CG-CD2 4.07Å; R507-F511 HydrophobicContact CG-CE2 3.92Å; R507-F511 VanDerWaalsContact O-CD2 3.29Å; R507-F511 WeakPolarHBondContact O-CD2 3.14Å; R507-F511 PolarHBondContact O-N 3.04Å; R507-F511 VanDerWaalsContact O-N 3.09Å; R507-E565 IonicContact CZ-OE2 2.78Å; R507-E565 IonicContact NH1-OE2 3.6Å; R507-E565 PolarHBondContact NH1-OE2 2.81Å; R507-A571 PolarHBondContact NH2-O 3.3Å
508	R	81.3	Confident	80	Confident	137 Å²	137	62.6 Å²	62.6	52%	0.517	30%	0.304	S	S	.	.	H	α-helix	trans	-62.8	-43.8	179.9	-77.8	-176.3	-66.3	155.2	-1.5	111.2	G504 G505 W510 F511 E512	G504-R508 VanDerWaalsContact O-CG 3.27Å; G504-R508 WeakPolarHBondContact O-CG 3.49Å; G504-R508 PolarHBondContact O-N 2.51Å; G504-R508 PolarHBondContact O-NE 2.91Å; G505-R508 PolarHBondContact O-N 2.95Å; R508-W510 VanDerWaalsContact C-N 3.34Å; R508-W510 PolarHBondContact O-N 3.03Å; R508-F511 PolarHBondContact O-N 3.3Å; R508-E512 PolarHBondContact O-N 3.33Å
509	E	83.9	Confident	80.5	Confident	71 Å²	71	59.5 Å²	59.5	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-44.2	176.2	-175	-178.2	-165.5	0	0	111.2	R468 G505 P506 R507 F511 E512 L513	R468-E509 IonicContact CZ-OE1 2.94Å; R468-E509 IonicContact CZ-OE2 2.65Å; R468-E509 VanDerWaalsContact NH1-CD 3.33Å; R468-E509 IonicContact NH1-OE1 2.76Å; R468-E509 PolarHBondContact NH1-OE1 3.39Å; R468-E509 IonicContact NH1-OE2 3.2Å; R468-E509 IonicContact NH2-OE1 3.6Å; R468-E509 PolarHBondContact NH2-OE1 3.24Å; R468-E509 IonicContact NH2-OE2 3.91Å; R468-E509 PolarHBondContact NH2-OE2 3.07Å; G505-E509 PolarHBondContact O-N 3.32Å; P506-E509 PolarHBondContact O-N 3.07Å; R507-E509 VanDerWaalsContact C-N 3.35Å; E509-F511 PolarHBondContact O-N 3.45Å; E509-E512 WeakPolarHBondContact O-CB 3.39Å; E509-E512 PolarHBondContact O-N 3.27Å; E509-L513 HydrophobicContact CG-CD1 3.81Å; E509-L513 HydrophobicContact CG-CG 4.13Å; E509-L513 WeakPolarHBondContact O-CB 3.41Å; E509-L513 VanDerWaalsContact O-CG 3.31Å; E509-L513 WeakPolarHBondContact O-CG 3.42Å; E509-L513 PolarHBondContact O-N 2.95Å
510	W	92	Very high	81.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-44.3	177.6	174.2	79.3	0	0	0	112.7	L464 S475 F491 V493 F495 P506 R507 R508 E512 L513 I514 L558	L464-W510 HydrophobicContact CD2-CD2 3.99Å; L464-W510 VanDerWaalsContact CD2-CE2 3.48Å; L464-W510 HydrophobicContact CD2-CE3 4.37Å; L464-W510 HydrophobicContact CD2-CH2 3.84Å; L464-W510 HydrophobicContact CD2-CZ2 3.41Å; L464-W510 VanDerWaalsContact CD2-CZ2 3.41Å; L464-W510 HydrophobicContact CD2-CZ3 4.3Å; S475-W510 PolarHBondContact OG-NE1 2.98Å; F491-W510 HydrophobicContact CD2-CH2 4.04Å; F491-W510 AromaticContact CD2-CZ3 3.8Å; F491-W510 HydrophobicContact CD2-CZ3 3.8Å; F491-W510 AromaticContact CE2-CH2 3.94Å; F491-W510 HydrophobicContact CE2-CH2 3.94Å; F491-W510 HydrophobicContact CE2-CZ3 4.1Å; V493-W510 HydrophobicContact CB-CB 4.36Å; V493-W510 HydrophobicContact CG1-CB 3.83Å; V493-W510 HydrophobicContact CG1-CG 4.04Å; V493-W510 HydrophobicContact CG2-CB 4.01Å; V493-W510 HydrophobicContact CG2-CD2 4.23Å; V493-W510 HydrophobicContact CG2-CE3 4.3Å; V493-W510 HydrophobicContact CG2-CG 4.11Å; F495-W510 HydrophobicContact CZ-CB 3.99Å; P506-W510 WeakPolarHBondContact O-CB 3.24Å; P506-W510 PolarHBondContact O-N 2.84Å; R507-W510 PolarHBondContact O-N 3.15Å; R508-W510 VanDerWaalsContact C-N 3.34Å; R508-W510 PolarHBondContact O-N 3.03Å; W510-E512 VanDerWaalsContact C-N 3.31Å; W510-E512 PolarHBondContact O-N 3.25Å; W510-L513 PolarHBondContact O-N 3.48Å; W510-I514 HydrophobicContact CD2-CG2 4.31Å; W510-I514 HydrophobicContact CE3-CG2 4.44Å; W510-I514 HydrophobicContact CH2-CG2 4.43Å; W510-I514 HydrophobicContact CZ2-CG1 4.39Å; W510-I514 HydrophobicContact CZ2-CG2 4.26Å; W510-I514 VanDerWaalsContact O-CB 3.29Å; W510-I514 WeakPolarHBondContact O-CB 3.33Å; W510-I514 WeakPolarHBondContact O-CG2 3.39Å; W510-I514 PolarHBondContact O-N 2.92Å; W510-L558 HydrophobicContact CH2-CD2 3.48Å; W510-L558 VanDerWaalsContact CH2-CD2 3.48Å; W510-L558 HydrophobicContact CZ2-CD2 4.18Å; W510-L558 HydrophobicContact CZ3-CD2 4.09Å
511	F	90.7	Very high	82.8	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-59.1	-43	174.4	-85.8	-69.2	0	0	0	112.2	R507 R508 E509 I514 C515 K561 C562 E565 Q574	R507-F511 HydrophobicContact CG-CD2 4.07Å; R507-F511 HydrophobicContact CG-CE2 3.92Å; R507-F511 VanDerWaalsContact O-CD2 3.29Å; R507-F511 WeakPolarHBondContact O-CD2 3.14Å; R507-F511 PolarHBondContact O-N 3.04Å; R507-F511 VanDerWaalsContact O-N 3.09Å; R508-F511 PolarHBondContact O-N 3.3Å; E509-F511 PolarHBondContact O-N 3.45Å; F511-I514 WeakPolarHBondContact O-CG2 3.45Å; F511-C515 VanDerWaalsContact O-CB 3.27Å; F511-C515 WeakPolarHBondContact O-CB 3.48Å; F511-C515 PolarHBondContact O-N 3.49Å; F511-C515 PolarHBondContact O-SG 3.49Å; F511-K561 HydrophobicContact CE1-CB 4.44Å; F511-K561 HydrophobicContact CE1-CD 4.08Å; F511-K561 HydrophobicContact CE1-CG 4.18Å; F511-K561 HydrophobicContact CZ-CD 3.63Å; F511-K561 HydrophobicContact CZ-CG 3.82Å; F511-C562 VanDerWaalsContact CD1-SG 3.59Å; F511-E565 WeakPolarHBondContact CE2-OE2 3.1Å; F511-Q574 HydrophobicContact CD2-CG 3.65Å; F511-Q574 VanDerWaalsContact CD2-OE1 3.27Å; F511-Q574 HydrophobicContact CE2-CG 3.74Å; F511-Q574 HydrophobicContact CG-CB 4.48Å; F511-Q574 HydrophobicContact CG-CG 4.05Å; F511-Q574 HydrophobicContact CZ-CG 4.21Å
512	E	86.3	Confident	84.4	Confident	98 Å²	98	49.5 Å²	49.5	46%	0.458	24%	0.244	S	C	.	.	H	α-helix	trans	-61.7	-51.3	177	175.6	167.7	-176.7	0	0	111.6	R508 E509 W510 K516 R577	R508-E512 PolarHBondContact O-N 3.33Å; E509-E512 WeakPolarHBondContact O-CB 3.39Å; E509-E512 PolarHBondContact O-N 3.27Å; W510-E512 VanDerWaalsContact C-N 3.31Å; W510-E512 PolarHBondContact O-N 3.25Å; E512-K516 VanDerWaalsContact O-CB 3.3Å; E512-K516 WeakPolarHBondContact O-CB 3.43Å; E512-K516 PolarHBondContact O-N 3.22Å; E512-R577 HydrophobicContact CG-CG 4.27Å
513	L	91.4	Very high	86	Confident	55 Å²	55	51.4 Å²	51.4	29%	0.288	25%	0.254	S	S	.	.	H	α-helix	trans	-66.9	-42.3	-178.1	-66.1	177.1	0	0	0	112.1	L471 F495 E509 W510 K516 A517	L471-L513 VanDerWaalsContact CD2-C 3.46Å; L471-L513 HydrophobicContact CD2-CB 3.48Å; L471-L513 VanDerWaalsContact CD2-CB 3.48Å; F495-L513 HydrophobicContact CZ-CD1 4.29Å; E509-L513 HydrophobicContact CG-CD1 3.81Å; E509-L513 HydrophobicContact CG-CG 4.13Å; E509-L513 WeakPolarHBondContact O-CB 3.41Å; E509-L513 VanDerWaalsContact O-CG 3.31Å; E509-L513 WeakPolarHBondContact O-CG 3.42Å; E509-L513 PolarHBondContact O-N 2.95Å; W510-L513 PolarHBondContact O-N 3.48Å; L513-K516 PolarHBondContact O-N 3.24Å; L513-A517 WeakPolarHBondContact O-CB 2.93Å; L513-A517 PolarHBondContact O-N 2.71Å
514	I	94.7	Very high	87.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.9	-41.1	-177.7	-165.1	68.1	0	0	0	111.1	L471 L472 W510 F511 A517 L518 F554 L558	L471-I514 HydrophobicContact CD2-CB 4.42Å; L471-I514 HydrophobicContact CD2-CD1 4.33Å; L471-I514 HydrophobicContact CG-CD1 3.91Å; L472-I514 HydrophobicContact CD2-CD1 3.73Å; L472-I514 HydrophobicContact CG-CD1 4.35Å; W510-I514 HydrophobicContact CD2-CG2 4.31Å; W510-I514 HydrophobicContact CE3-CG2 4.44Å; W510-I514 HydrophobicContact CH2-CG2 4.43Å; W510-I514 HydrophobicContact CZ2-CG1 4.39Å; W510-I514 HydrophobicContact CZ2-CG2 4.26Å; W510-I514 VanDerWaalsContact O-CB 3.29Å; W510-I514 WeakPolarHBondContact O-CB 3.33Å; W510-I514 WeakPolarHBondContact O-CG2 3.39Å; W510-I514 PolarHBondContact O-N 2.92Å; F511-I514 WeakPolarHBondContact O-CG2 3.45Å; I514-A517 PolarHBondContact O-N 2.88Å; I514-L518 WeakPolarHBondContact O-CB 3.44Å; I514-L518 PolarHBondContact O-N 3.27Å; I514-F554 HydrophobicContact CD1-CE1 4.36Å; I514-F554 HydrophobicContact CG1-CE1 4.32Å; I514-F554 HydrophobicContact CG1-CZ 4.43Å; I514-L558 HydrophobicContact CG1-CD1 3.8Å; I514-L558 HydrophobicContact CG2-CD1 4.19Å; I514-L558 HydrophobicContact CG2-CD2 4.09Å
515	C	92.5	Very high	89.2	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-47.1	175.1	-70	0	0	0	0	110.1	F511 A517 L518 F519 R577	F511-C515 VanDerWaalsContact O-CB 3.27Å; F511-C515 WeakPolarHBondContact O-CB 3.48Å; F511-C515 PolarHBondContact O-N 3.49Å; F511-C515 PolarHBondContact O-SG 3.49Å; C515-A517 PolarHBondContact O-N 2.79Å; C515-L518 PolarHBondContact O-N 3.32Å; C515-F519 HydrophobicContact CB-CD2 4.25Å; C515-F519 HydrophobicContact CB-CE2 4.26Å; C515-F519 WeakPolarHBondContact O-CD2 3.38Å; C515-F519 PolarHBondContact O-N 3.14Å; C515-R577 HydrophobicContact CB-CB 4.14Å
516	K	89.1	Confident	90.3	Very high	126 Å²	126	42.7 Å²	42.7	55%	0.548	21%	0.212	S	C	.	.	H	α-helix	trans	-56	-51.5	176.7	-175.7	177.6	179.2	-179.9	0	110.8	E512 L513 L518 D520	E512-K516 VanDerWaalsContact O-CB 3.3Å; E512-K516 WeakPolarHBondContact O-CB 3.43Å; E512-K516 PolarHBondContact O-N 3.22Å; L513-K516 PolarHBondContact O-N 3.24Å; K516-L518 PolarHBondContact O-N 2.73Å; K516-D520 WeakPolarHBondContact O-CB 3.42Å; K516-D520 PolarHBondContact O-N 3.38Å
517	A	92.1	Very high	91	Very high	22 Å²	22	43.9 Å²	43.9	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-44.6	179.7	0	0	0	0	0	112.3	L471 L472 L513 I514 C515 F519 D520 N523	L471-A517 HydrophobicContact CD2-CB 4.42Å; L472-A517 HydrophobicContact CD1-CB 4.11Å; L472-A517 HydrophobicContact CD2-CB 4.22Å; L472-A517 HydrophobicContact CG-CB 3.96Å; L513-A517 WeakPolarHBondContact O-CB 2.93Å; L513-A517 PolarHBondContact O-N 2.71Å; I514-A517 PolarHBondContact O-N 2.88Å; C515-A517 PolarHBondContact O-N 2.79Å; A517-F519 PolarHBondContact O-N 2.7Å; A517-D520 PolarHBondContact O-N 3.48Å; A517-N523 PolarHBondContact O-ND2 3.09Å
518	L	93.8	Very high	91.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-39.7	-174.7	-174.5	67.6	0	0	0	113.4	L472 I514 C515 K516 L525 F526 A555 L558	L472-L518 HydrophobicContact CD2-CB 4.03Å; L472-L518 HydrophobicContact CD2-CD1 3.91Å; I514-L518 WeakPolarHBondContact O-CB 3.44Å; I514-L518 PolarHBondContact O-N 3.27Å; C515-L518 PolarHBondContact O-N 3.32Å; K516-L518 PolarHBondContact O-N 2.73Å; L518-L525 HydrophobicContact CD1-CD1 3.69Å; L518-F526 WeakPolarHBondContact O-CD2 3.42Å; L518-A555 HydrophobicContact CD1-CB 4.17Å; L518-A555 VanDerWaalsContact CD2-CA 3.4Å; L518-A555 HydrophobicContact CD2-CB 3.27Å; L518-A555 HydrophobicContact CG-CB 3.98Å; L518-L558 HydrophobicContact CD2-CD1 3.68Å
519	F	93.3	Very high	92	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.035	22%	0.216	C	C	.	.	H	α-helix	trans	-96.3	0.7	-177.9	-56.4	-60.7	0	0	0	112.9	C515 A517 F526 V537 A555 V559 V576 A578 F580 F679	C515-F519 HydrophobicContact CB-CD2 4.25Å; C515-F519 HydrophobicContact CB-CE2 4.26Å; C515-F519 WeakPolarHBondContact O-CD2 3.38Å; C515-F519 PolarHBondContact O-N 3.14Å; A517-F519 PolarHBondContact O-N 2.7Å; F519-F526 HydrophobicContact CD1-CD1 4.15Å; F519-F526 AromaticContact CD1-CD2 3.7Å; F519-F526 HydrophobicContact CD1-CD2 3.7Å; F519-F526 AromaticContact CD1-CE1 3.94Å; F519-F526 HydrophobicContact CD1-CE1 3.94Å; F519-F526 AromaticContact CD1-CE2 3.48Å; F519-F526 HydrophobicContact CD1-CE2 3.48Å; F519-F526 VanDerWaalsContact CD1-CE2 3.48Å; F519-F526 HydrophobicContact CD1-CG 4.06Å; F519-F526 AromaticContact CD1-CZ 3.62Å; F519-F526 HydrophobicContact CD1-CZ 3.62Å; F519-F526 HydrophobicContact CE1-CD2 4.32Å; F519-F526 HydrophobicContact CE1-CE1 4.1Å; F519-F526 AromaticContact CE1-CE2 3.62Å; F519-F526 HydrophobicContact CE1-CE2 3.62Å; F519-F526 AromaticContact CE1-CZ 3.5Å; F519-F526 HydrophobicContact CE1-CZ 3.5Å; F519-V537 HydrophobicContact CB-CG2 4.4Å; F519-A555 HydrophobicContact CE1-CB 4.41Å; F519-V559 HydrophobicContact CE2-CG2 4.49Å; F519-V559 HydrophobicContact CZ-CG2 3.95Å; F519-V576 HydrophobicContact CD2-CG1 4.2Å; F519-V576 HydrophobicContact CE2-CG1 3.6Å; F519-V576 HydrophobicContact CZ-CG1 4.29Å; F519-A578 HydrophobicContact CB-CB 3.85Å; F519-A578 HydrophobicContact CD2-CB 3.61Å; F519-A578 HydrophobicContact CE2-CB 4.33Å; F519-A578 HydrophobicContact CG-CB 3.74Å; F519-F580 AromaticContact CD1-CE1 3.54Å; F519-F580 HydrophobicContact CD1-CE1 3.54Å; F519-F580 AromaticContact CD1-CZ 3.94Å; F519-F580 HydrophobicContact CD1-CZ 3.94Å; F519-F580 HydrophobicContact CD2-CE1 4.47Å; F519-F580 HydrophobicContact CD2-CZ 4.16Å; F519-F580 AromaticContact CE1-CE1 3.55Å; F519-F580 HydrophobicContact CE1-CE1 3.55Å; F519-F580 AromaticContact CE1-CZ 3.65Å; F519-F580 HydrophobicContact CE1-CZ 3.65Å; F519-F580 HydrophobicContact CE2-CE1 4.49Å; F519-F580 AromaticContact CE2-CZ 3.91Å; F519-F580 HydrophobicContact CE2-CZ 3.91Å; F519-F580 HydrophobicContact CG-CE1 4.04Å; F519-F580 HydrophobicContact CG-CZ 4.2Å; F519-F580 HydrophobicContact CZ-CE1 4.06Å; F519-F580 AromaticContact CZ-CZ 3.65Å; F519-F580 HydrophobicContact CZ-CZ 3.65Å; F519-F679 HydrophobicContact CE1-CE2 4.41Å
520	D	90.1	Very high	92.1	Very high	47 Å²	47	40.8 Å²	40.8	25%	0.251	21%	0.211	S	C	.	.	S	Bend	trans	-72.9	134.3	171	-166.6	-75	0	0	0	110.7	K516 A517 T522 N523	K516-D520 WeakPolarHBondContact O-CB 3.42Å; K516-D520 PolarHBondContact O-N 3.38Å; A517-D520 PolarHBondContact O-N 3.48Å; D520-T522 PolarHBondContact O-N 3.23Å; D520-T522 WeakPolarHBondContact OD1-CB 3.37Å; D520-T522 WeakPolarHBondContact OD1-CG2 3.33Å; D520-T522 PolarHBondContact OD1-N 3.05Å; D520-T522 PolarHBondContact OD1-OG1 3.12Å; D520-N523 PolarHBondContact O-N 2.93Å
521	T	91.1	Very high	91.5	Very high	41 Å²	41	49 Å²	49	25%	0.252	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-67.3	-21.4	-176.1	56	0	0	0	0	113.3	N523 Q524 F526 R528 V537	T521-N523 PolarHBondContact O-N 2.94Å; T521-Q524 PolarHBondContact O-N 3.42Å; T521-F526 WeakPolarHBondContact CA-O 3.3Å; T521-R528 HydrophobicContact CG2-CG 3.85Å; T521-V537 HydrophobicContact CG2-CG1 4.35Å
522	T	91.1	Very high	90.9	Very high	106 Å²	106	51.8 Å²	51.8	65%	0.65	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-62.1	-27.6	176.4	59.1	0	0	0	0	112.6	D520 Q524	D520-T522 PolarHBondContact O-N 3.23Å; D520-T522 WeakPolarHBondContact OD1-CB 3.37Å; D520-T522 WeakPolarHBondContact OD1-CG2 3.33Å; D520-T522 PolarHBondContact OD1-N 3.05Å; D520-T522 PolarHBondContact OD1-OG1 3.12Å; T522-Q524 VanDerWaalsContact C-N 3.29Å; T522-Q524 PolarHBondContact O-N 3.47Å
523	N	92.2	Very high	90.3	Very high	57 Å²	57	53.3 Å²	53.3	31%	0.305	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-84	-1.4	177	-68.8	-61.4	0	0	0	113.5	L472 A517 D520 T521 L525 L547	L472-N523 HydrophobicContact CD1-CB 4.1Å; L472-N523 VanDerWaalsContact CD1-CG 3.49Å; A517-N523 PolarHBondContact O-ND2 3.09Å; D520-N523 PolarHBondContact O-N 2.93Å; T521-N523 PolarHBondContact O-N 2.94Å; N523-L525 PolarHBondContact O-N 3.49Å; N523-L547 WeakPolarHBondContact O-CD1 3.41Å
524	Q	94.8	Very high	89.4	Confident	95 Å²	95	51.6 Å²	51.6	44%	0.444	27%	0.271	S	S	.	.	S	Bend	trans	58.2	8.2	172.1	-55.7	176.6	45.7	0	0	116.1	T521 T522 N540 P544 L547	T521-Q524 PolarHBondContact O-N 3.42Å; T522-Q524 VanDerWaalsContact C-N 3.29Å; T522-Q524 PolarHBondContact O-N 3.47Å; Q524-N540 VanDerWaalsContact O-CB 3.32Å; Q524-N540 WeakPolarHBondContact O-CB 3.47Å; Q524-N540 PolarHBondContact O-ND2 2.93Å; Q524-P544 HydrophobicContact CB-CG 4.34Å; Q524-L547 HydrophobicContact CB-CD1 3.93Å
525	L	95.9	Very high	88.8	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.026	28%	0.277	C	S	.	.	S	Bend	trans	-77.2	-37.4	167.6	-68.1	172.3	0	0	0	110.7	L518 N523 N540 L547 M551 Y552	L518-L525 HydrophobicContact CD1-CD1 3.69Å; N523-L525 PolarHBondContact O-N 3.49Å; L525-N540 WeakPolarHBondContact O-CB 3.36Å; L525-N540 PolarHBondContact O-N 2.79Å; L525-L547 HydrophobicContact CD2-CB 4.04Å; L525-L547 HydrophobicContact CD2-CD1 4.07Å; L525-L547 HydrophobicContact CD2-CG 4.5Å; L525-L547 HydrophobicContact CG-CD1 4.26Å; L525-M551 HydrophobicContact CD1-CB 3.98Å; L525-M551 HydrophobicContact CD1-CG 4.47Å; L525-M551 HydrophobicContact CD2-CB 3.63Å; L525-M551 HydrophobicContact CD2-CG 4.16Å; L525-M551 HydrophobicContact CG-CB 4.49Å; L525-Y552 HydrophobicContact CD2-CE2 4.1Å; L525-Y552 WeakPolarHBondContact O-CE1 3.48Å; L525-Y552 PolarHBondContact O-OH 2.82Å
526	F	96.5	Very high	88.7	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	154.4	173.6	-69.7	-101.1	0	0	0	109	L518 F519 T521 V537 H538 P539 Y552 F580 F584	L518-F526 WeakPolarHBondContact O-CD2 3.42Å; F519-F526 HydrophobicContact CD1-CD1 4.15Å; F519-F526 AromaticContact CD1-CD2 3.7Å; F519-F526 HydrophobicContact CD1-CD2 3.7Å; F519-F526 AromaticContact CD1-CE1 3.94Å; F519-F526 HydrophobicContact CD1-CE1 3.94Å; F519-F526 AromaticContact CD1-CE2 3.48Å; F519-F526 HydrophobicContact CD1-CE2 3.48Å; F519-F526 VanDerWaalsContact CD1-CE2 3.48Å; F519-F526 HydrophobicContact CD1-CG 4.06Å; F519-F526 AromaticContact CD1-CZ 3.62Å; F519-F526 HydrophobicContact CD1-CZ 3.62Å; F519-F526 HydrophobicContact CE1-CD2 4.32Å; F519-F526 HydrophobicContact CE1-CE1 4.1Å; F519-F526 AromaticContact CE1-CE2 3.62Å; F519-F526 HydrophobicContact CE1-CE2 3.62Å; F519-F526 AromaticContact CE1-CZ 3.5Å; F519-F526 HydrophobicContact CE1-CZ 3.5Å; T521-F526 WeakPolarHBondContact CA-O 3.3Å; F526-V537 HydrophobicContact CB-CB 4.31Å; F526-H538 CarbonylContact C-O 3.42Å; F526-H538 WeakPolarHBondContact CA-O 3.28Å; F526-H538 WeakPolarHBondContact CB-O 3.23Å; F526-H538 VanDerWaalsContact CD1-C 3.48Å; F526-H538 WeakPolarHBondContact CD1-O 3.47Å; F526-P539 HydrophobicContact CD1-CG 4.43Å; F526-P539 HydrophobicContact CE1-CG 3.96Å; F526-Y552 HydrophobicContact CE2-CD1 4.27Å; F526-Y552 HydrophobicContact CE2-CE1 4.1Å; F526-Y552 HydrophobicContact CZ-CD1 4.18Å; F526-Y552 HydrophobicContact CZ-CE1 4.15Å; F526-F580 HydrophobicContact CE1-CE1 4.42Å; F526-F584 AromaticContact CE1-CE1 4Å; F526-F584 HydrophobicContact CE1-CE1 4Å; F526-F584 HydrophobicContact CE1-CZ 4.21Å
527	T	95.3	Very high	88.9	Confident	43 Å²	43	47.1 Å²	47.1	26%	0.264	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	171.6	177.8	-166.7	0	0	0	0	109.6	V537 H538 N540	T527-V537 CarbonylContact O-C 3.44Å; T527-V537 WeakPolarHBondContact O-CA 3.42Å; T527-H538 PolarHBondContact N-O 2.94Å; T527-H538 PolarHBondContact O-N 3.33Å; T527-N540 HydrophobicContact CG2-CB 4.31Å
528	R	93.4	Very high	89.2	Confident	60 Å²	60	46.1 Å²	46.1	23%	0.226	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	158.5	167.2	-69.1	159.7	179.1	157.3	6.8	109	T521 S530 N533 A535 V537	T521-R528 HydrophobicContact CG2-CG 3.85Å; R528-S530 WeakPolarHBondContact CB-O 3.47Å; R528-N533 PolarHBondContact NH1-OD1 3.02Å; R528-N533 PolarHBondContact NH2-O 2.94Å; R528-A535 HydrophobicContact CB-CB 3.78Å; R528-A535 HydrophobicContact CG-CB 3.82Å; R528-A535 PolarHBondContact NE-O 3.11Å; R528-V537 HydrophobicContact CG-CG1 4.26Å
529	F	92.2	Very high	89.4	Confident	58 Å²	58	46.1 Å²	46.1	25%	0.254	25%	0.247	S	C	.	.	S	Bend	trans	-81.5	-21	171.5	-70.1	-73.4	0	0	0	112.9	H538 T581 D601 D602 L668	F529-H538 HydrophobicContact CE2-CB 3.84Å; F529-H538 AromaticContact CE2-CG 3.81Å; F529-H538 HydrophobicContact CZ-CB 4.22Å; F529-H538 AromaticContact CZ-CD2 3.83Å; F529-H538 AromaticContact CZ-CG 3.88Å; F529-T581 HydrophobicContact CD2-CG2 4.15Å; F529-T581 HydrophobicContact CE2-CG2 3.95Å; F529-D601 WeakPolarHBondContact CB-O 3.36Å; F529-D601 HydrophobicContact CD2-CB 4.12Å; F529-D601 WeakPolarHBondContact CD2-O 3.13Å; F529-D601 HydrophobicContact CE2-CB 4.16Å; F529-D602 HydrophobicContact CB-CB 3.78Å; F529-D602 HydrophobicContact CG-CB 4.05Å; F529-L668 HydrophobicContact CE1-CD2 4.1Å; F529-L668 HydrophobicContact CE2-CD2 3.87Å; F529-L668 HydrophobicContact CZ-CD2 3.46Å; F529-L668 VanDerWaalsContact CZ-CD2 3.46Å
530	S	85.3	Confident	89.5	Confident	33 Å²	33	46.5 Å²	46.5	23%	0.231	25%	0.25	C	C	.	.	S	Bend	trans	-128.2	158.2	172.1	63.5	0	0	0	0	111.6	R528 N532 A535	R528-S530 WeakPolarHBondContact CB-O 3.47Å; S530-N532 PolarHBondContact O-N 2.96Å; S530-N532 VanDerWaalsContact O-N 3.15Å; S530-A535 VanDerWaalsContact OG-CB 3.31Å; S530-A535 WeakPolarHBondContact OG-CB 3.48Å
531	D	80.2	Confident	89.7	Confident	171 Å²	171	46.3 Å²	46.3	91%	0.914	25%	0.251	S	S	*	.	S	Bend	trans	-72.6	-0	178.4	-68.9	-31.3	0	0	0	113.3	N533	D531-N533 PolarHBondContact O-N 3.41Å
532	N	77.6	Confident	89.8	Confident	60 Å²	60	50.5 Å²	50.5	32%	0.321	27%	0.272	S	S	.	.			trans	-66	129.9	176.4	-171.8	-10.8	0	0	0	110.1	S530 Q534 A535 C770	S530-N532 PolarHBondContact O-N 2.96Å; S530-N532 VanDerWaalsContact O-N 3.15Å; N532-Q534 PolarHBondContact O-N 3.23Å; N532-Q534 WeakPolarHBondContact OD1-CB 3.5Å; N532-Q534 WeakPolarHBondContact OD1-CG 2.97Å; N532-Q534 PolarHBondContact OD1-N 3.25Å; N532-A535 HydrophobicContact CB-CB 4.44Å; N532-A535 WeakPolarHBondContact O-CB 3.43Å; N532-A535 PolarHBondContact O-N 3.42Å; N532-C770 PolarHBondContact ND2-O 2.99Å
533	N	72.7	Confident	89.9	Confident	130 Å²	130	48.2 Å²	48.2	70%	0.695	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-11.9	174.6	-80.3	-30.1	0	0	0	114.1	R528 D531	R528-N533 PolarHBondContact NH1-OD1 3.02Å; R528-N533 PolarHBondContact NH2-O 2.94Å; D531-N533 PolarHBondContact O-N 3.41Å
534	Q	73.2	Confident	90	Very high	19 Å²	19	46.8 Å²	46.8	9%	0.089	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-8.6	178.6	-54.8	-167.8	-28.8	0	0	114.3	N532 R579 P762 A768 L769 C770	N532-Q534 PolarHBondContact O-N 3.23Å; N532-Q534 WeakPolarHBondContact OD1-CB 3.5Å; N532-Q534 WeakPolarHBondContact OD1-CG 2.97Å; N532-Q534 PolarHBondContact OD1-N 3.25Å; Q534-R579 PolarHBondContact O-NH1 2.76Å; Q534-P762 HydrophobicContact CG-CB 4.5Å; Q534-P762 HydrophobicContact CG-CG 3.95Å; Q534-P762 VanDerWaalsContact NE2-CG 3.3Å; Q534-A768 PolarHBondContact NE2-O 2.7Å; Q534-L769 VanDerWaalsContact NE2-N 3.2Å; Q534-C770 PolarHBondContact OE1-O 3.48Å
535	A	81.6	Confident	89.9	Confident	15 Å²	15	46.9 Å²	46.9	12%	0.124	26%	0.262	C	S	.	.	S	Bend	trans	-63.2	144.5	-178.5	0	0	0	0	0	110.3	R528 S530 N532	R528-A535 HydrophobicContact CB-CB 3.78Å; R528-A535 HydrophobicContact CG-CB 3.82Å; R528-A535 PolarHBondContact NE-O 3.11Å; S530-A535 VanDerWaalsContact OG-CB 3.31Å; S530-A535 WeakPolarHBondContact OG-CB 3.48Å; N532-A535 HydrophobicContact CB-CB 4.44Å; N532-A535 WeakPolarHBondContact O-CB 3.43Å; N532-A535 PolarHBondContact O-N 3.42Å
536	L	90.9	Very high	89.7	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.047	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-65.9	147.8	178.3	-56.7	179.8	0	0	0	109.8	R579 T581	L536-R579 CarbonylContact C-O 3.49Å; L536-R579 WeakPolarHBondContact CA-O 3.5Å; L536-R579 HydrophobicContact CD2-CB 3.9Å; L536-T581 HydrophobicContact CB-CG2 3.58Å
537	V	94.2	Very high	89.5	Confident	8 Å²	8	54.4 Å²	54.4	5%	0.048	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.5	-178.7	-60.2	0	0	0	0	111.4	F519 T521 F526 T527 R528 A578 R579 F580 T581	F519-V537 HydrophobicContact CB-CG2 4.4Å; T521-V537 HydrophobicContact CG2-CG1 4.35Å; F526-V537 HydrophobicContact CB-CB 4.31Å; T527-V537 CarbonylContact O-C 3.44Å; T527-V537 WeakPolarHBondContact O-CA 3.42Å; R528-V537 HydrophobicContact CG-CG1 4.26Å; V537-A578 HydrophobicContact CG2-CB 4.49Å; V537-R579 WeakPolarHBondContact CG2-O 3.38Å; V537-R579 PolarHBondContact N-O 2.97Å; V537-F580 HydrophobicContact CG2-CD1 3.94Å; V537-F580 HydrophobicContact CG2-CE1 4.35Å; V537-T581 PolarHBondContact O-N 2.88Å; V537-T581 PolarHBondContact O-OG1 3.4Å
538	H	97	Very high	89.4	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.7	-179.3	-161.9	72.6	0	0	0	109.5	F526 T527 F529 N540 T581 S583 L668 V672	F526-H538 CarbonylContact C-O 3.42Å; F526-H538 WeakPolarHBondContact CA-O 3.28Å; F526-H538 WeakPolarHBondContact CB-O 3.23Å; F526-H538 VanDerWaalsContact CD1-C 3.48Å; F526-H538 WeakPolarHBondContact CD1-O 3.47Å; T527-H538 PolarHBondContact N-O 2.94Å; T527-H538 PolarHBondContact O-N 3.33Å; F529-H538 HydrophobicContact CE2-CB 3.84Å; F529-H538 AromaticContact CE2-CG 3.81Å; F529-H538 HydrophobicContact CZ-CB 4.22Å; F529-H538 AromaticContact CZ-CD2 3.83Å; F529-H538 AromaticContact CZ-CG 3.88Å; H538-N540 PolarHBondContact O-N 3.37Å; H538-T581 HydrophobicContact CB-CG2 3.89Å; H538-T581 PolarHBondContact ND1-OG1 2.86Å; H538-S583 PolarHBondContact CE1-OG 3.15Å; H538-L668 PolarHBondContact CE1-O 3.28Å; H538-L668 PolarHBondContact NE2-O 2.83Å; H538-V672 WeakPolarHBondContact NE2-CG2 3.26Å
539	P	97.8	Very high	89.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	142.6	169.9	-27.2	35.7	0	0	0	111.6	F526 P541 Y552 F584 V672 E675 V676	F526-P539 HydrophobicContact CD1-CG 4.43Å; F526-P539 HydrophobicContact CE1-CG 3.96Å; P539-P541 WeakPolarHBondContact O-CD 3.48Å; P539-Y552 HydrophobicContact CB-CE1 3.99Å; P539-F584 HydrophobicContact CG-CD2 3.71Å; P539-F584 HydrophobicContact CG-CE2 3.64Å; P539-F584 HydrophobicContact CG-CG 4.29Å; P539-F584 HydrophobicContact CG-CZ 4.16Å; P539-V672 HydrophobicContact CB-CB 4.01Å; P539-V672 HydrophobicContact CB-CG1 4.06Å; P539-V672 WeakPolarHBondContact O-CG1 3.29Å; P539-E675 HydrophobicContact CB-CB 3.93Å; P539-V676 HydrophobicContact CG-CG2 4.13Å
540	N	97.1	Very high	89.6	Confident	16 Å²	16	62.1 Å²	62.1	9%	0.086	33%	0.325	C	S	.	.			trans	-83.8	110.7	-174.7	-177.3	5.8	0	0	0	111.7	Q524 L525 T527 H538 N542 R543 Y552	Q524-N540 VanDerWaalsContact O-CB 3.32Å; Q524-N540 WeakPolarHBondContact O-CB 3.47Å; Q524-N540 PolarHBondContact O-ND2 2.93Å; L525-N540 WeakPolarHBondContact O-CB 3.36Å; L525-N540 PolarHBondContact O-N 2.79Å; T527-N540 HydrophobicContact CG2-CB 4.31Å; H538-N540 PolarHBondContact O-N 3.37Å; N540-N542 PolarHBondContact O-N 3.06Å; N540-N542 WeakPolarHBondContact OD1-CA 3.42Å; N540-N542 PolarHBondContact OD1-N 3.41Å; N540-R543 HydrophobicContact CB-CB 4.42Å; N540-R543 PolarHBondContact O-N 2.89Å; N540-Y552 PolarHBondContact N-OH 3.02Å
541	P	93.2	Very high	90.1	Very high	43 Å²	43	62.7 Å²	62.7	28%	0.279	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.2	177.1	29.5	-36.1	0	0	0	113	P539 Q671 V672	P539-P541 WeakPolarHBondContact O-CD 3.48Å; P541-Q671 HydrophobicContact CB-CB 3.81Å; P541-V672 HydrophobicContact CB-CG1 3.83Å; P541-V672 HydrophobicContact CG-CG1 4.35Å
542	N	93.3	Very high	90.9	Very high	129 Å²	129	54.6 Å²	54.6	69%	0.69	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	30	179.3	-60.9	-49.1	0	0	0	111.5	N540	N540-N542 PolarHBondContact O-N 3.06Å; N540-N542 WeakPolarHBondContact OD1-CA 3.42Å; N540-N542 PolarHBondContact OD1-N 3.41Å
543	R	94.1	Very high	91.8	Very high	59 Å²	59	52.5 Å²	52.5	22%	0.223	27%	0.269	C	S	.	.			trans	-55.4	136.7	-179.1	65.5	169.5	177.9	67.4	11.8	111.2	N540 L547 E674 E675	N540-R543 HydrophobicContact CB-CB 4.42Å; N540-R543 PolarHBondContact O-N 2.89Å; R543-L547 PolarHBondContact NH1-O 3.44Å; R543-E674 IonicContact NH2-OE2 2.67Å; R543-E675 WeakPolarHBondContact CD-OE1 3.18Å; R543-E675 IonicContact CZ-OE1 2.73Å; R543-E675 IonicContact NE-OE1 2.69Å; R543-E675 PolarHBondContact NE-OE1 3.07Å; R543-E675 IonicContact NH2-OE1 3.83Å
544	P	94.3	Very high	92.9	Very high	27 Å²	27	46.4 Å²	46.4	18%	0.175	24%	0.237	C	C	.	.			trans	-59.4	145.8	171.7	-25.4	32.4	0	0	0	112.9	Q524 H546 L547	Q524-P544 HydrophobicContact CB-CG 4.34Å; P544-H546 WeakPolarHBondContact CB-CE1 3.45Å; P544-H546 VanDerWaalsContact CB-ND1 3.31Å; P544-H546 WeakPolarHBondContact CB-ND1 3.38Å; P544-H546 PolarHBondContact O-N 3.49Å; P544-H546 VanDerWaalsContact O-N 3.12Å; P544-L547 HydrophobicContact CG-CD1 4.4Å; P544-L547 PolarHBondContact O-N 3.33Å
545	A	91.3	Very high	94.1	Very high	96 Å²	96	45.5 Å²	45.5	79%	0.793	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.7	-178.7	0	0	0	0	0	114.5	L547	A545-L547 VanDerWaalsContact C-N 3.31Å
546	H	91.7	Very high	94.9	Very high	140 Å²	140	44.8 Å²	44.8	65%	0.648	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.5	177.1	69.5	-91	0	0	0	112.8	P544 R548	P544-H546 WeakPolarHBondContact CB-CE1 3.45Å; P544-H546 VanDerWaalsContact CB-ND1 3.31Å; P544-H546 WeakPolarHBondContact CB-ND1 3.38Å; P544-H546 PolarHBondContact O-N 3.49Å; P544-H546 VanDerWaalsContact O-N 3.12Å; H546-R548 PolarHBondContact O-N 2.82Å
547	L	93.2	Very high	95.2	Very high	25 Å²	25	45.7 Å²	45.7	13%	0.131	23%	0.229	C	C	.	.	S	Bend	trans	-84.2	102	173.5	-61.7	-176.9	0	0	0	109.4	N523 Q524 L525 R543 P544 A545	N523-L547 WeakPolarHBondContact O-CD1 3.41Å; Q524-L547 HydrophobicContact CB-CD1 3.93Å; L525-L547 HydrophobicContact CD2-CB 4.04Å; L525-L547 HydrophobicContact CD2-CD1 4.07Å; L525-L547 HydrophobicContact CD2-CG 4.5Å; L525-L547 HydrophobicContact CG-CD1 4.26Å; R543-L547 PolarHBondContact NH1-O 3.44Å; P544-L547 HydrophobicContact CG-CD1 4.4Å; P544-L547 PolarHBondContact O-N 3.33Å; A545-L547 VanDerWaalsContact C-N 3.31Å
548	R	93.7	Very high	95.3	Very high	195 Å²	195	45.3 Å²	45.3	74%	0.736	23%	0.227	S	C	*	.			trans	-77	150.4	-174.8	-59.9	-177.3	-176.9	-177.1	0.3	111.8	H546 K550 M551	H546-R548 PolarHBondContact O-N 2.82Å; R548-K550 PolarHBondContact O-N 2.87Å; R548-M551 VanDerWaalsContact O-CB 3.3Å; R548-M551 WeakPolarHBondContact O-CB 3.25Å; R548-M551 WeakPolarHBondContact O-CG 3.37Å; R548-M551 PolarHBondContact O-N 3.37Å
549	L	95.4	Very high	95.3	Very high	32 Å²	32	45.2 Å²	45.2	17%	0.168	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.2	175.3	-68.4	170.1	0	0	0	114	M551 Y552 E553 E674 E675 H678	L549-M551 PolarHBondContact O-N 3.42Å; L549-M551 VanDerWaalsContact O-N 3.15Å; L549-Y552 HydrophobicContact CD2-CD2 4.44Å; L549-Y552 WeakPolarHBondContact O-CB 3.49Å; L549-Y552 PolarHBondContact O-N 3.05Å; L549-E553 PolarHBondContact O-N 3.29Å; L549-E674 HydrophobicContact CD1-CB 4.09Å; L549-E674 HydrophobicContact CD2-CB 3.9Å; L549-E675 HydrophobicContact CD2-CG 4.23Å; L549-H678 HydrophobicContact CB-CB 4.38Å
550	K	93.7	Very high	95.2	Very high	97 Å²	97	45.2 Å²	45.2	42%	0.422	23%	0.227	S	C	.	.	H	α-helix	trans	-60.6	-21.7	174.2	-167.7	165.9	-176	172.6	0	113.9	R548 Y552 E553 F554	R548-K550 PolarHBondContact O-N 2.87Å; K550-Y552 VanDerWaalsContact C-N 3.31Å; K550-E553 PolarHBondContact O-N 3.06Å; K550-F554 PolarHBondContact O-N 2.86Å
551	M	95.2	Very high	95.1	Very high	44 Å²	44	44.5 Å²	44.5	22%	0.217	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-36.8	171	-69	-67.8	-174.5	0	0	111.7	L476 L525 R548 L549 F554 A555	L476-M551 HydrophobicContact CD2-CE 3.41Å; L476-M551 VanDerWaalsContact CD2-CE 3.41Å; L476-M551 HydrophobicContact CD2-SD 3.63Å; L525-M551 HydrophobicContact CD1-CB 3.98Å; L525-M551 HydrophobicContact CD1-CG 4.47Å; L525-M551 HydrophobicContact CD2-CB 3.63Å; L525-M551 HydrophobicContact CD2-CG 4.16Å; L525-M551 HydrophobicContact CG-CB 4.49Å; R548-M551 VanDerWaalsContact O-CB 3.3Å; R548-M551 WeakPolarHBondContact O-CB 3.25Å; R548-M551 WeakPolarHBondContact O-CG 3.37Å; R548-M551 PolarHBondContact O-N 3.37Å; L549-M551 PolarHBondContact O-N 3.42Å; L549-M551 VanDerWaalsContact O-N 3.15Å; M551-F554 WeakPolarHBondContact O-CB 3.43Å; M551-F554 PolarHBondContact O-N 3.46Å; M551-A555 PolarHBondContact O-N 2.9Å
552	Y	97.3	Very high	95.2	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-70.8	-37.5	174.2	-66.2	-86.8	0	0	0	111.4	L525 F526 P539 N540 L549 K550 F554 A555 G556 E675 F679	L525-Y552 HydrophobicContact CD2-CE2 4.1Å; L525-Y552 WeakPolarHBondContact O-CE1 3.48Å; L525-Y552 PolarHBondContact O-OH 2.82Å; F526-Y552 HydrophobicContact CE2-CD1 4.27Å; F526-Y552 HydrophobicContact CE2-CE1 4.1Å; F526-Y552 HydrophobicContact CZ-CD1 4.18Å; F526-Y552 HydrophobicContact CZ-CE1 4.15Å; P539-Y552 HydrophobicContact CB-CE1 3.99Å; N540-Y552 PolarHBondContact N-OH 3.02Å; L549-Y552 HydrophobicContact CD2-CD2 4.44Å; L549-Y552 WeakPolarHBondContact O-CB 3.49Å; L549-Y552 PolarHBondContact O-N 3.05Å; K550-Y552 VanDerWaalsContact C-N 3.31Å; Y552-F554 VanDerWaalsContact C-N 3.26Å; Y552-F554 PolarHBondContact O-N 2.78Å; Y552-A555 WeakPolarHBondContact O-CB 3.43Å; Y552-A555 PolarHBondContact O-N 2.86Å; Y552-A555 VanDerWaalsContact O-N 3.15Å; Y552-G556 PolarHBondContact O-N 2.81Å; Y552-E675 WeakPolarHBondContact CB-O 3.33Å; Y552-E675 HydrophobicContact CD1-CB 4Å; Y552-E675 HydrophobicContact CD2-CB 4.17Å; Y552-E675 HydrophobicContact CD2-CG 4.07Å; Y552-E675 HydrophobicContact CE1-CB 3.79Å; Y552-E675 HydrophobicContact CE1-CG 3.99Å; Y552-E675 HydrophobicContact CE2-CB 3.95Å; Y552-E675 HydrophobicContact CE2-CG 3.46Å; Y552-E675 VanDerWaalsContact CE2-CG 3.46Å; Y552-E675 HydrophobicContact CG-CB 4.16Å; Y552-E675 WeakPolarHBondContact OH-CG 3.4Å; Y552-F679 WeakPolarHBondContact O-CA 3.48Å
553	E	97.1	Very high	95.2	Very high	16 Å²	16	36.5 Å²	36.5	8%	0.075	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-38.1	170.6	-56	-175.2	-179.2	0	0	111.9	L549 K550 G556 R557 H678 K681 G682	L549-E553 PolarHBondContact O-N 3.29Å; K550-E553 PolarHBondContact O-N 3.06Å; E553-G556 PolarHBondContact O-N 3.17Å; E553-R557 VanDerWaalsContact C-NH1 3.33Å; E553-R557 WeakPolarHBondContact O-CG 3.5Å; E553-R557 PolarHBondContact O-N 3.15Å; E553-R557 PolarHBondContact O-NH1 2.9Å; E553-R557 IonicContact OE2-CZ 3.7Å; E553-R557 IonicContact OE2-NH1 3.52Å; E553-R557 PolarHBondContact OE2-NH1 2.93Å; E553-R557 IonicContact OE2-NH2 2.7Å; E553-R557 PolarHBondContact OE2-NH2 3.06Å; E553-H678 WeakPolarHBondContact CA-O 3.27Å; E553-H678 HydrophobicContact CG-CB 3.88Å; E553-H678 WeakPolarHBondContact CG-O 3.42Å; E553-H678 PolarHBondContact N-O 2.9Å; E553-H678 IonicContact OE1-CD2 3.27Å; E553-H678 PolarHBondContact OE1-CD2 3.49Å; E553-K681 HydrophobicContact CG-CD 4.41Å; E553-K681 WeakPolarHBondContact OE1-CD 3.34Å; E553-K681 WeakPolarHBondContact OE1-CE 3.45Å; E553-K681 IonicContact OE1-NZ 2.79Å; E553-K681 PolarHBondContact OE1-NZ 3.36Å; E553-G682 WeakPolarHBondContact O-CA 3.26Å
554	F	96.8	Very high	95.2	Very high	3 Å²	3	34 Å²	34	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-42.1	174.3	175.9	-111.1	0	0	0	111.5	L476 T479 W487 I514 K550 M551 Y552 G556 R557 L558	L476-F554 HydrophobicContact CD1-CB 3.78Å; L476-F554 HydrophobicContact CD1-CD1 4.31Å; L476-F554 HydrophobicContact CD1-CD2 3.96Å; L476-F554 HydrophobicContact CD1-CG 3.76Å; T479-F554 HydrophobicContact CG2-CE2 4.34Å; T479-F554 VanDerWaalsContact OG1-CE2 3.26Å; T479-F554 WeakPolarHBondContact OG1-CE2 3.37Å; W487-F554 AromaticContact CH2-CD2 3.96Å; W487-F554 HydrophobicContact CH2-CD2 3.96Å; W487-F554 AromaticContact CH2-CE2 3.71Å; W487-F554 HydrophobicContact CH2-CE2 3.71Å; W487-F554 HydrophobicContact CZ2-CD2 4.07Å; W487-F554 HydrophobicContact CZ2-CE2 4.1Å; I514-F554 HydrophobicContact CD1-CE1 4.36Å; I514-F554 HydrophobicContact CG1-CE1 4.32Å; I514-F554 HydrophobicContact CG1-CZ 4.43Å; K550-F554 PolarHBondContact O-N 2.86Å; M551-F554 WeakPolarHBondContact O-CB 3.43Å; M551-F554 PolarHBondContact O-N 3.46Å; Y552-F554 VanDerWaalsContact C-N 3.26Å; Y552-F554 PolarHBondContact O-N 2.78Å; F554-G556 PolarHBondContact O-N 3.35Å; F554-R557 PolarHBondContact O-N 3.36Å; F554-L558 HydrophobicContact CD1-CD1 3.93Å; F554-L558 HydrophobicContact CE1-CD1 3.44Å; F554-L558 VanDerWaalsContact CE1-CD1 3.44Å; F554-L558 HydrophobicContact CE1-CG 4.23Å; F554-L558 HydrophobicContact CE2-CD1 4.33Å; F554-L558 HydrophobicContact CE2-CD2 4.46Å; F554-L558 HydrophobicContact CE2-CG 4.25Å; F554-L558 HydrophobicContact CZ-CD1 3.67Å; F554-L558 HydrophobicContact CZ-CD2 4.21Å; F554-L558 HydrophobicContact CZ-CG 4.04Å; F554-L558 WeakPolarHBondContact O-CG 3.36Å; F554-L558 PolarHBondContact O-N 3.06Å
555	A	97.3	Very high	94.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-45.7	172.9	0	0	0	0	0	112.9	L518 F519 M551 Y552 R557 L558 V559 F679	L518-A555 HydrophobicContact CD1-CB 4.17Å; L518-A555 VanDerWaalsContact CD2-CA 3.4Å; L518-A555 HydrophobicContact CD2-CB 3.27Å; L518-A555 HydrophobicContact CG-CB 3.98Å; F519-A555 HydrophobicContact CE1-CB 4.41Å; M551-A555 PolarHBondContact O-N 2.9Å; Y552-A555 WeakPolarHBondContact O-CB 3.43Å; Y552-A555 PolarHBondContact O-N 2.86Å; Y552-A555 VanDerWaalsContact O-N 3.15Å; A555-R557 PolarHBondContact O-N 2.78Å; A555-L558 PolarHBondContact O-N 2.77Å; A555-V559 PolarHBondContact O-N 3.2Å; A555-F679 HydrophobicContact CB-CD2 3.81Å; A555-F679 HydrophobicContact CB-CE2 3.89Å
556	G	97.6	Very high	94.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.9	-45.9	174.3	0	0	0	0	0	112.4	Y552 E553 F554 L558 V559 G560 F679 L683	Y552-G556 PolarHBondContact O-N 2.81Å; E553-G556 PolarHBondContact O-N 3.17Å; F554-G556 PolarHBondContact O-N 3.35Å; G556-L558 PolarHBondContact O-N 2.96Å; G556-V559 PolarHBondContact O-N 3.15Å; G556-G560 PolarHBondContact O-N 2.58Å; G556-F679 VanDerWaalsContact CA-O 3.32Å; G556-F679 WeakPolarHBondContact CA-O 3.31Å; G556-L683 VanDerWaalsContact C-N 3.34Å; G556-L683 VanDerWaalsContact O-CA 3.29Å; G556-L683 WeakPolarHBondContact O-CA 3.28Å
557	R	97.3	Very high	94.6	Very high	27 Å²	27	22.5 Å²	22.5	10%	0.102	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-39.7	177	-71.5	178.9	-165.7	94.5	4.7	112.5	W487 E553 F554 A555 G560 K561 G682 E685 L686	W487-R557 HydrophobicContact CD2-CB 4.21Å; W487-R557 HydrophobicContact CE3-CB 4.14Å; W487-R557 HydrophobicContact CH2-CB 3.97Å; W487-R557 HydrophobicContact CZ2-CB 3.99Å; W487-R557 HydrophobicContact CZ3-CB 4.04Å; E553-R557 VanDerWaalsContact C-NH1 3.33Å; E553-R557 WeakPolarHBondContact O-CG 3.5Å; E553-R557 PolarHBondContact O-N 3.15Å; E553-R557 PolarHBondContact O-NH1 2.9Å; E553-R557 IonicContact OE2-CZ 3.7Å; E553-R557 IonicContact OE2-NH1 3.52Å; E553-R557 PolarHBondContact OE2-NH1 2.93Å; E553-R557 IonicContact OE2-NH2 2.7Å; E553-R557 PolarHBondContact OE2-NH2 3.06Å; F554-R557 PolarHBondContact O-N 3.36Å; A555-R557 PolarHBondContact O-N 2.78Å; R557-G560 PolarHBondContact O-N 3.04Å; R557-K561 VanDerWaalsContact O-CB 3.3Å; R557-K561 WeakPolarHBondContact O-CB 3.44Å; R557-K561 PolarHBondContact O-N 2.96Å; R557-G682 WeakPolarHBondContact CG-O 3.4Å; R557-E685 WeakPolarHBondContact CD-OE2 3.33Å; R557-E685 IonicContact CZ-OE1 3.13Å; R557-E685 IonicContact CZ-OE2 3.17Å; R557-E685 IonicContact NE-OE1 2.71Å; R557-E685 PolarHBondContact NE-OE1 2.99Å; R557-E685 IonicContact NE-OE2 2.7Å; R557-E685 PolarHBondContact NE-OE2 3.26Å; R557-E685 IonicContact NH2-OE1 3.91Å; R557-E685 PolarHBondContact NH2-OE1 3.04Å; R557-E685 IonicContact NH2-OE2 3.7Å; R557-L686 WeakPolarHBondContact O-CD1 3.4Å
558	L	96.5	Very high	94.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.2	-46	176.1	-76.5	172	0	0	0	111.6	W487 W510 I514 L518 F554 A555 G556 K561 C562	W487-L558 HydrophobicContact CH2-CD2 4.32Å; W487-L558 HydrophobicContact CZ3-CD2 4.23Å; W510-L558 HydrophobicContact CH2-CD2 3.48Å; W510-L558 VanDerWaalsContact CH2-CD2 3.48Å; W510-L558 HydrophobicContact CZ2-CD2 4.18Å; W510-L558 HydrophobicContact CZ3-CD2 4.09Å; I514-L558 HydrophobicContact CG1-CD1 3.8Å; I514-L558 HydrophobicContact CG2-CD1 4.19Å; I514-L558 HydrophobicContact CG2-CD2 4.09Å; L518-L558 HydrophobicContact CD2-CD1 3.68Å; F554-L558 HydrophobicContact CD1-CD1 3.93Å; F554-L558 HydrophobicContact CE1-CD1 3.44Å; F554-L558 VanDerWaalsContact CE1-CD1 3.44Å; F554-L558 HydrophobicContact CE1-CG 4.23Å; F554-L558 HydrophobicContact CE2-CD1 4.33Å; F554-L558 HydrophobicContact CE2-CD2 4.46Å; F554-L558 HydrophobicContact CE2-CG 4.25Å; F554-L558 HydrophobicContact CZ-CD1 3.67Å; F554-L558 HydrophobicContact CZ-CD2 4.21Å; F554-L558 HydrophobicContact CZ-CG 4.04Å; F554-L558 WeakPolarHBondContact O-CG 3.36Å; F554-L558 PolarHBondContact O-N 3.06Å; A555-L558 PolarHBondContact O-N 2.77Å; G556-L558 PolarHBondContact O-N 2.96Å; L558-K561 PolarHBondContact O-N 2.89Å; L558-C562 PolarHBondContact O-N 3.5Å; L558-C562 PolarHBondContact O-SG 2.77Å
559	V	96.8	Very high	93.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.3	-46.9	175.9	171.1	0	0	0	0	111	F519 A555 G556 K561 C562 L563 V576 F679 L683 M704	F519-V559 HydrophobicContact CE2-CG2 4.49Å; F519-V559 HydrophobicContact CZ-CG2 3.95Å; A555-V559 PolarHBondContact O-N 3.2Å; G556-V559 PolarHBondContact O-N 3.15Å; V559-K561 VanDerWaalsContact C-N 3.26Å; V559-K561 PolarHBondContact O-N 3.34Å; V559-C562 WeakPolarHBondContact O-CB 3.49Å; V559-C562 PolarHBondContact O-N 3.31Å; V559-C562 VanDerWaalsContact O-N 3.12Å; V559-L563 HydrophobicContact CG1-CD1 4.09Å; V559-L563 WeakPolarHBondContact O-CG 3.4Å; V559-L563 PolarHBondContact O-N 3.26Å; V559-V576 HydrophobicContact CB-CG2 4.43Å; V559-V576 HydrophobicContact CG1-CG2 4.31Å; V559-V576 HydrophobicContact CG2-CG1 4.13Å; V559-V576 HydrophobicContact CG2-CG2 4Å; V559-F679 HydrophobicContact CB-CZ 4.15Å; V559-F679 HydrophobicContact CG1-CZ 4.45Å; V559-F679 HydrophobicContact CG2-CE2 4.2Å; V559-F679 HydrophobicContact CG2-CZ 3.84Å; V559-L683 HydrophobicContact CB-CD1 4.27Å; V559-L683 HydrophobicContact CG1-CD1 3.86Å; V559-M704 HydrophobicContact CG1-CE 3.48Å; V559-M704 VanDerWaalsContact CG1-CE 3.48Å; V559-M704 HydrophobicContact CG1-CG 4.45Å; V559-M704 HydrophobicContact CG1-SD 4.15Å; V559-M704 HydrophobicContact CG2-CE 4.35Å
560	G	96.5	Very high	92.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-37.5	176.3	0	0	0	0	0	112.7	G556 R557 L563 Y564	G556-G560 PolarHBondContact O-N 2.58Å; R557-G560 PolarHBondContact O-N 3.04Å; G560-L563 PolarHBondContact O-N 3.41Å; G560-Y564 WeakPolarHBondContact O-CB 3.43Å; G560-Y564 PolarHBondContact O-N 3.38Å
561	K	95.2	Very high	90.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.2	-41.5	174.9	-171.7	173.4	179.1	53.5	0	111.7	W487 K489 F491 F511 R557 L558 V559 L563 Y564 E565 L686	W487-K561 HydrophobicContact CE3-CB 4.25Å; W487-K561 HydrophobicContact CE3-CD 3.79Å; W487-K561 HydrophobicContact CZ3-CB 4.46Å; W487-K561 HydrophobicContact CZ3-CD 3.99Å; W487-K561 PolarHBondContact O-NZ 3.47Å; K489-K561 PolarHBondContact O-NZ 3.48Å; F491-K561 VanDerWaalsContact CD1-CE 3.43Å; F491-K561 HydrophobicContact CD2-CD 4.15Å; F491-K561 HydrophobicContact CE1-CD 4.22Å; F491-K561 VanDerWaalsContact CE1-CE 3.44Å; F491-K561 HydrophobicContact CE2-CD 3.71Å; F491-K561 VanDerWaalsContact CG-CE 3.41Å; F491-K561 HydrophobicContact CZ-CD 3.75Å; F491-K561 VanDerWaalsContact CZ-CE 3.4Å; F511-K561 HydrophobicContact CE1-CB 4.44Å; F511-K561 HydrophobicContact CE1-CD 4.08Å; F511-K561 HydrophobicContact CE1-CG 4.18Å; F511-K561 HydrophobicContact CZ-CD 3.63Å; F511-K561 HydrophobicContact CZ-CG 3.82Å; R557-K561 VanDerWaalsContact O-CB 3.3Å; R557-K561 WeakPolarHBondContact O-CB 3.44Å; R557-K561 PolarHBondContact O-N 2.96Å; L558-K561 PolarHBondContact O-N 2.89Å; V559-K561 VanDerWaalsContact C-N 3.26Å; V559-K561 PolarHBondContact O-N 3.34Å; K561-L563 VanDerWaalsContact C-N 3.33Å; K561-L563 PolarHBondContact O-N 2.77Å; K561-Y564 PolarHBondContact O-N 2.93Å; K561-E565 WeakPolarHBondContact CE-OE1 3.3Å; K561-E565 HydrophobicContact CG-CG 4.32Å; K561-E565 IonicContact NZ-OE1 2.96Å; K561-E565 PolarHBondContact NZ-OE1 2.79Å; K561-E565 WeakPolarHBondContact O-CB 3.39Å; K561-E565 WeakPolarHBondContact O-CG 3.43Å; K561-E565 PolarHBondContact O-N 2.87Å; K561-L686 HydrophobicContact CB-CD1 3.88Å; K561-L686 VanDerWaalsContact N-CD1 3.3Å
562	C	94.1	Very high	89.9	Confident	2 Å²	2	20 Å²	20	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-44.1	175.6	-66.9	0	0	0	0	111.6	F511 L558 V559 S566 Q574 V576	F511-C562 VanDerWaalsContact CD1-SG 3.59Å; L558-C562 PolarHBondContact O-N 3.5Å; L558-C562 PolarHBondContact O-SG 2.77Å; V559-C562 WeakPolarHBondContact O-CB 3.49Å; V559-C562 PolarHBondContact O-N 3.31Å; V559-C562 VanDerWaalsContact O-N 3.12Å; C562-S566 WeakPolarHBondContact O-CB 3.19Å; C562-S566 PolarHBondContact O-N 3.05Å; C562-S566 PolarHBondContact O-OG 3.2Å; C562-Q574 HydrophobicContact CB-CB 3.98Å; C562-V576 HydrophobicContact CB-CG2 3.89Å
563	L	94.4	Very high	89.1	Confident	3 Å²	3	25.6 Å²	25.6	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-45.3	176.7	-71.5	168.8	0	0	0	111.9	F446 V559 G560 K561 S566 S567 L683 V687 L692 L703 M704	F446-L563 HydrophobicContact CE1-CB 4.4Å; F446-L563 HydrophobicContact CE1-CD2 4.32Å; F446-L563 HydrophobicContact CZ-CB 4.25Å; F446-L563 HydrophobicContact CZ-CD2 4.38Å; V559-L563 HydrophobicContact CG1-CD1 4.09Å; V559-L563 WeakPolarHBondContact O-CG 3.4Å; V559-L563 PolarHBondContact O-N 3.26Å; G560-L563 PolarHBondContact O-N 3.41Å; K561-L563 VanDerWaalsContact C-N 3.33Å; K561-L563 PolarHBondContact O-N 2.77Å; L563-S566 PolarHBondContact O-N 3.36Å; L563-S567 PolarHBondContact O-N 2.92Å; L563-L683 HydrophobicContact CD1-CD1 4.13Å; L563-V687 HydrophobicContact CB-CG2 4.07Å; L563-V687 HydrophobicContact CD1-CG2 4.05Å; L563-L692 HydrophobicContact CD1-CD1 4.4Å; L563-L692 HydrophobicContact CD1-CD2 4.05Å; L563-L703 HydrophobicContact CD2-CD1 4.44Å; L563-L703 HydrophobicContact CD2-CD2 3.81Å; L563-L703 HydrophobicContact CD2-CG 3.68Å; L563-M704 HydrophobicContact CD1-CG 4.34Å; L563-M704 HydrophobicContact CD2-CG 3.93Å; L563-M704 HydrophobicContact CG-CG 4.4Å
564	Y	93.3	Very high	88.5	Confident	6 Å²	6	25.2 Å²	25.2	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-50.1	177.1	171.1	-119.4	0	0	0	112.5	L450 H454 S488 G560 K561 S566 S567 L568	L450-Y564 HydrophobicContact CD2-CD2 4.49Å; L450-Y564 HydrophobicContact CG-CD2 4.19Å; H454-Y564 HydrophobicContact CB-CD2 4.16Å; H454-Y564 HydrophobicContact CB-CE2 3.33Å; H454-Y564 AromaticContact CD2-CD2 3.27Å; H454-Y564 WeakPolarHBondContact CD2-CD2 3.23Å; H454-Y564 AromaticContact CD2-CE2 3.42Å; H454-Y564 VanDerWaalsContact CD2-CE2 3.42Å; H454-Y564 WeakPolarHBondContact CD2-CE2 3.4Å; H454-Y564 AromaticContact CG-CD2 3.68Å; H454-Y564 AromaticContact CG-CE2 3.34Å; H454-Y564 AromaticContact CG-CZ 3.78Å; H454-Y564 AromaticContact NE2-CD2 3.71Å; S488-Y564 WeakPolarHBondContact O-CE1 3.25Å; G560-Y564 WeakPolarHBondContact O-CB 3.43Å; G560-Y564 PolarHBondContact O-N 3.38Å; K561-Y564 PolarHBondContact O-N 2.93Å; Y564-S566 VanDerWaalsContact C-N 3.29Å; Y564-S566 PolarHBondContact O-N 2.98Å; Y564-S567 VanDerWaalsContact O-CB 3.31Å; Y564-S567 WeakPolarHBondContact O-CB 3.45Å; Y564-S567 PolarHBondContact O-N 3.48Å; Y564-S567 PolarHBondContact O-OG 3.06Å; Y564-L568 HydrophobicContact CE2-CD2 4.29Å
565	E	89.3	Confident	87.9	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.019	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-36.3	178.9	-70.8	-169	-174	0	0	111.8	R507 F511 K561 S567 L568 Y572 Q574	R507-E565 IonicContact CZ-OE2 2.78Å; R507-E565 IonicContact NH1-OE2 3.6Å; R507-E565 PolarHBondContact NH1-OE2 2.81Å; F511-E565 WeakPolarHBondContact CE2-OE2 3.1Å; K561-E565 WeakPolarHBondContact CE-OE1 3.3Å; K561-E565 HydrophobicContact CG-CG 4.32Å; K561-E565 IonicContact NZ-OE1 2.96Å; K561-E565 PolarHBondContact NZ-OE1 2.79Å; K561-E565 WeakPolarHBondContact O-CB 3.39Å; K561-E565 WeakPolarHBondContact O-CG 3.43Å; K561-E565 PolarHBondContact O-N 2.87Å; E565-S567 PolarHBondContact O-N 3.18Å; E565-L568 WeakPolarHBondContact O-CB 3.46Å; E565-L568 PolarHBondContact O-N 3.27Å; E565-Y572 VanDerWaalsContact O-CB 3.31Å; E565-Y572 WeakPolarHBondContact O-CB 3.36Å; E565-Q574 HydrophobicContact CB-CG 4.2Å
566	S	87.3	Confident	87.6	Confident	16 Å²	16	26.8 Å²	26.8	11%	0.112	16%	0.164	C	C	.	.	H	α-helix	trans	-62.4	-29.8	172.1	-70	0	0	0	0	113.2	C562 L563 Y564 L568 G569 Q574	C562-S566 WeakPolarHBondContact O-CB 3.19Å; C562-S566 PolarHBondContact O-N 3.05Å; C562-S566 PolarHBondContact O-OG 3.2Å; L563-S566 PolarHBondContact O-N 3.36Å; Y564-S566 VanDerWaalsContact C-N 3.29Å; Y564-S566 PolarHBondContact O-N 2.98Å; S566-L568 PolarHBondContact O-N 3.47Å; S566-G569 PolarHBondContact O-N 2.91Å; S566-G569 VanDerWaalsContact O-N 3.16Å; S566-Q574 PolarHBondContact OG-N 2.85Å; S566-Q574 PolarHBondContact OG-O 3.43Å
567	S	89.1	Confident	87	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-67.9	-17.5	173.5	82.7	0	0	0	0	114.5	R451 L563 Y564 E565 G569	R451-S567 WeakPolarHBondContact CD-O 3.43Å; R451-S567 PolarHBondContact NH1-O 3.01Å; L563-S567 PolarHBondContact O-N 2.92Å; Y564-S567 VanDerWaalsContact O-CB 3.31Å; Y564-S567 WeakPolarHBondContact O-CB 3.45Å; Y564-S567 PolarHBondContact O-N 3.48Å; Y564-S567 PolarHBondContact O-OG 3.06Å; E565-S567 PolarHBondContact O-N 3.18Å; S567-G569 VanDerWaalsContact C-N 3.32Å
568	L	85.9	Confident	86.6	Confident	62 Å²	62	30.9 Å²	30.9	33%	0.325	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.4	175.1	-54.7	178.9	0	0	0	112.3	R451 Y564 E565 S566 Y572	R451-L568 HydrophobicContact CG-CD2 4.15Å; Y564-L568 HydrophobicContact CE2-CD2 4.29Å; E565-L568 WeakPolarHBondContact O-CB 3.46Å; E565-L568 PolarHBondContact O-N 3.27Å; S566-L568 PolarHBondContact O-N 3.47Å; L568-Y572 HydrophobicContact CB-CD2 4.21Å; L568-Y572 HydrophobicContact CB-CG 4.3Å
569	G	74.6	Confident	86.2	Confident	27 Å²	27	32.3 Å²	32.3	28%	0.278	19%	0.186	S	C	.	.			trans	69.9	-177.2	177	0	0	0	0	0	114.7	S566 S567 A571 Y572	S566-G569 PolarHBondContact O-N 2.91Å; S566-G569 VanDerWaalsContact O-N 3.16Å; S567-G569 VanDerWaalsContact C-N 3.32Å; G569-A571 PolarHBondContact O-N 2.94Å; G569-Y572 WeakPolarHBondContact O-CB 3.22Å; G569-Y572 PolarHBondContact O-N 2.95Å
570	G	68.6	Low	86	Confident	72 Å²	72	32.3 Å²	32.3	74%	0.742	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	56.4	-134.8	176.9	0	0	0	0	0	113.5	Y572 K573	G570-Y572 PolarHBondContact O-N 2.95Å; G570-Y572 VanDerWaalsContact O-N 3.12Å; G570-K573 PolarHBondContact O-N 3.21Å
571	A	68.4	Low	85.9	Confident	80 Å²	80	32.3 Å²	32.3	66%	0.661	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-67.5	-7.4	-177.9	0	0	0	0	0	114.6	R507 G569	R507-A571 PolarHBondContact NH2-O 3.3Å; G569-A571 PolarHBondContact O-N 2.94Å
572	Y	74.8	Confident	85.8	Confident	99 Å²	99	32.9 Å²	32.9	39%	0.388	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-84.2	-16.1	177.7	-65	-76.7	0	0	0	113.4	E565 L568 G569 G570 Q574	E565-Y572 VanDerWaalsContact O-CB 3.31Å; E565-Y572 WeakPolarHBondContact O-CB 3.36Å; L568-Y572 HydrophobicContact CB-CD2 4.21Å; L568-Y572 HydrophobicContact CB-CG 4.3Å; G569-Y572 WeakPolarHBondContact O-CB 3.22Å; G569-Y572 PolarHBondContact O-N 2.95Å; G570-Y572 PolarHBondContact O-N 2.95Å; G570-Y572 VanDerWaalsContact O-N 3.12Å; Y572-Q574 WeakPolarHBondContact O-CG 3.22Å; Y572-Q574 PolarHBondContact O-N 3.27Å; Y572-Q574 VanDerWaalsContact O-N 3.08Å; Y572-Q574 PolarHBondContact O-NE2 3.16Å
573	K	80.3	Confident	85.8	Confident	119 Å²	119	32.8 Å²	32.8	52%	0.517	19%	0.188	S	C	.	.			trans	-51.2	117.7	-179.7	-170.6	174.7	-178.2	178.4	0	111.7	G570 L575	G570-K573 PolarHBondContact O-N 3.21Å; K573-L575 HydrophobicContact CG-CD2 4.47Å
574	Q	85	Confident	85.9	Confident	9 Å²	9	32.7 Å²	32.7	4%	0.042	19%	0.187	C	C	.	.			trans	-118.2	132.1	176.4	-62.4	-43.8	-62.1	0	0	109.2	F511 C562 E565 S566 Y572	F511-Q574 HydrophobicContact CD2-CG 3.65Å; F511-Q574 VanDerWaalsContact CD2-OE1 3.27Å; F511-Q574 HydrophobicContact CE2-CG 3.74Å; F511-Q574 HydrophobicContact CG-CB 4.48Å; F511-Q574 HydrophobicContact CG-CG 4.05Å; F511-Q574 HydrophobicContact CZ-CG 4.21Å; C562-Q574 HydrophobicContact CB-CB 3.98Å; E565-Q574 HydrophobicContact CB-CG 4.2Å; S566-Q574 PolarHBondContact OG-N 2.85Å; S566-Q574 PolarHBondContact OG-O 3.43Å; Y572-Q574 WeakPolarHBondContact O-CG 3.22Å; Y572-Q574 PolarHBondContact O-N 3.27Å; Y572-Q574 VanDerWaalsContact O-N 3.08Å; Y572-Q574 PolarHBondContact O-NE2 3.16Å
575	L	84.3	Confident	85.9	Confident	36 Å²	36	32.4 Å²	32.4	19%	0.188	19%	0.186	C	C	.	.			trans	-107.2	137.9	178.3	-60.6	-177.7	0	0	0	109.9	K573 R577	K573-L575 HydrophobicContact CG-CD2 4.47Å; L575-R577 PolarHBondContact O-N 3.17Å
576	V	90.6	Very high	86	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.			trans	-76.3	114.2	170.3	-175.5	0	0	0	0	108.1	F519 V559 C562 A578 F580 M704 C705	F519-V576 HydrophobicContact CD2-CG1 4.2Å; F519-V576 HydrophobicContact CE2-CG1 3.6Å; F519-V576 HydrophobicContact CZ-CG1 4.29Å; V559-V576 HydrophobicContact CB-CG2 4.43Å; V559-V576 HydrophobicContact CG1-CG2 4.31Å; V559-V576 HydrophobicContact CG2-CG1 4.13Å; V559-V576 HydrophobicContact CG2-CG2 4Å; C562-V576 HydrophobicContact CB-CG2 3.89Å; V576-A578 VanDerWaalsContact C-N 3.31Å; V576-A578 HydrophobicContact CG1-CB 4.14Å; V576-A578 PolarHBondContact O-N 2.81Å; V576-F580 HydrophobicContact CG1-CE2 3.77Å; V576-F580 HydrophobicContact CG1-CZ 3.85Å; V576-M704 HydrophobicContact CG2-CB 4.42Å; V576-M704 PolarHBondContact N-O 3.16Å; V576-C705 WeakPolarHBondContact O-CA 3.5Å; V576-C705 PolarHBondContact O-SG 2.78Å
577	R	85.4	Confident	86.2	Confident	104 Å²	104	32.4 Å²	32.4	39%	0.392	18%	0.184	S	C	.	.			trans	-82.2	78.5	177.1	-64.3	-65	-177.9	165.2	2	110.2	E512 C515 L575	E512-R577 HydrophobicContact CG-CG 4.27Å; C515-R577 HydrophobicContact CB-CB 4.14Å; L575-R577 PolarHBondContact O-N 3.17Å
578	A	87.2	Confident	86.4	Confident	8 Å²	8	32.9 Å²	32.9	7%	0.066	19%	0.186	C	C	.	.			trans	-154.2	150.8	176.7	0	0	0	0	0	111.4	F519 V537 V576 F580 C705	F519-A578 HydrophobicContact CB-CB 3.85Å; F519-A578 HydrophobicContact CD2-CB 3.61Å; F519-A578 HydrophobicContact CE2-CB 4.33Å; F519-A578 HydrophobicContact CG-CB 3.74Å; V537-A578 HydrophobicContact CG2-CB 4.49Å; V576-A578 VanDerWaalsContact C-N 3.31Å; V576-A578 HydrophobicContact CG1-CB 4.14Å; V576-A578 PolarHBondContact O-N 2.81Å; A578-F580 HydrophobicContact CB-CD1 4.17Å; A578-F580 HydrophobicContact CB-CD2 4.15Å; A578-F580 HydrophobicContact CB-CE1 3.67Å; A578-F580 HydrophobicContact CB-CE2 3.65Å; A578-F580 HydrophobicContact CB-CG 4.39Å; A578-F580 HydrophobicContact CB-CZ 3.39Å; A578-C705 PolarHBondContact O-SG 3.19Å
579	R	88.4	Confident	86.4	Confident	31 Å²	31	30.2 Å²	30.2	12%	0.117	17%	0.172	C	C	.	.			trans	-110.4	80	173.3	-64.3	-178.3	72.5	-149.4	1.5	108.6	Q534 L536 V537 S758 Q760	Q534-R579 PolarHBondContact O-NH1 2.76Å; L536-R579 CarbonylContact C-O 3.49Å; L536-R579 WeakPolarHBondContact CA-O 3.5Å; L536-R579 HydrophobicContact CD2-CB 3.9Å; V537-R579 WeakPolarHBondContact CG2-O 3.38Å; V537-R579 PolarHBondContact N-O 2.97Å; R579-S758 PolarHBondContact NE-OG 2.83Å; R579-Q760 HydrophobicContact CG-CB 4.12Å; R579-Q760 PolarHBondContact NE-O 3.45Å
580	F	93.2	Very high	86.7	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-69.5	144.9	-174.4	-64.6	-60.9	0	0	0	112	F519 F526 V537 V576 A578 F584 L585 M704	F519-F580 AromaticContact CD1-CE1 3.54Å; F519-F580 HydrophobicContact CD1-CE1 3.54Å; F519-F580 AromaticContact CD1-CZ 3.94Å; F519-F580 HydrophobicContact CD1-CZ 3.94Å; F519-F580 HydrophobicContact CD2-CE1 4.47Å; F519-F580 HydrophobicContact CD2-CZ 4.16Å; F519-F580 AromaticContact CE1-CE1 3.55Å; F519-F580 HydrophobicContact CE1-CE1 3.55Å; F519-F580 AromaticContact CE1-CZ 3.65Å; F519-F580 HydrophobicContact CE1-CZ 3.65Å; F519-F580 HydrophobicContact CE2-CE1 4.49Å; F519-F580 AromaticContact CE2-CZ 3.91Å; F519-F580 HydrophobicContact CE2-CZ 3.91Å; F519-F580 HydrophobicContact CG-CE1 4.04Å; F519-F580 HydrophobicContact CG-CZ 4.2Å; F519-F580 HydrophobicContact CZ-CE1 4.06Å; F519-F580 AromaticContact CZ-CZ 3.65Å; F519-F580 HydrophobicContact CZ-CZ 3.65Å; F526-F580 HydrophobicContact CE1-CE1 4.42Å; V537-F580 HydrophobicContact CG2-CD1 3.94Å; V537-F580 HydrophobicContact CG2-CE1 4.35Å; V576-F580 HydrophobicContact CG1-CE2 3.77Å; V576-F580 HydrophobicContact CG1-CZ 3.85Å; A578-F580 HydrophobicContact CB-CD1 4.17Å; A578-F580 HydrophobicContact CB-CD2 4.15Å; A578-F580 HydrophobicContact CB-CE1 3.67Å; A578-F580 HydrophobicContact CB-CE2 3.65Å; A578-F580 HydrophobicContact CB-CG 4.39Å; A578-F580 HydrophobicContact CB-CZ 3.39Å; F580-F584 HydrophobicContact CB-CD1 4.12Å; F580-F584 AromaticContact CD1-CD1 3.58Å; F580-F584 HydrophobicContact CD1-CD1 3.58Å; F580-F584 AromaticContact CD1-CE1 3.66Å; F580-F584 HydrophobicContact CD1-CE1 3.66Å; F580-F584 HydrophobicContact CE1-CD1 4.23Å; F580-F584 AromaticContact CE1-CE1 3.83Å; F580-F584 HydrophobicContact CE1-CE1 3.83Å; F580-F584 AromaticContact CG-CD1 3.99Å; F580-F584 HydrophobicContact CG-CD1 3.99Å; F580-F584 HydrophobicContact CG-CE1 4.3Å; F580-L585 HydrophobicContact CB-CD1 4.18Å; F580-L585 HydrophobicContact CB-CD2 3.89Å; F580-L585 HydrophobicContact CB-CG 3.85Å; F580-L585 HydrophobicContact CD2-CD2 3.99Å; F580-L585 HydrophobicContact CG-CD2 4.24Å; F580-M704 HydrophobicContact CD2-CE 3.97Å; F580-M704 HydrophobicContact CE2-CE 3.5Å; F580-M704 HydrophobicContact CZ-CE 4.34Å
581	T	95.1	Very high	87.3	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.			trans	-59.1	144.9	167.3	48.3	0	0	0	0	111.2	F529 L536 V537 H538 S583 F584 L585 D601	F529-T581 HydrophobicContact CD2-CG2 4.15Å; F529-T581 HydrophobicContact CE2-CG2 3.95Å; L536-T581 HydrophobicContact CB-CG2 3.58Å; V537-T581 PolarHBondContact O-N 2.88Å; V537-T581 PolarHBondContact O-OG1 3.4Å; H538-T581 HydrophobicContact CB-CG2 3.89Å; H538-T581 PolarHBondContact ND1-OG1 2.86Å; T581-S583 VanDerWaalsContact C-N 3.28Å; T581-S583 PolarHBondContact O-N 3.33Å; T581-F584 PolarHBondContact O-N 2.84Å; T581-F584 WeakPolarHBondContact OG1-CB 3.47Å; T581-F584 PolarHBondContact OG1-N 2.91Å; T581-L585 PolarHBondContact O-N 3.28Å; T581-L585 VanDerWaalsContact O-N 3.15Å; T581-D601 WeakPolarHBondContact CA-OD1 3.31Å; T581-D601 VanDerWaalsContact CB-CG 3.48Å; T581-D601 WeakPolarHBondContact CB-OD1 3.45Å; T581-D601 WeakPolarHBondContact CB-OD2 2.85Å; T581-D601 HydrophobicContact CG2-CB 4Å
582	R	91.9	Very high	87.7	Confident	12 Å²	12	34.5 Å²	34.5	5%	0.045	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-39.1	177.6	-68.3	-66.9	178	-145.5	-7.9	111.2	F584 L585 A586 Y597 T600 D601 E697 N698 E701 G757	R582-F584 VanDerWaalsContact C-N 3.29Å; R582-F584 PolarHBondContact O-N 2.76Å; R582-L585 PolarHBondContact O-N 3.48Å; R582-A586 VanDerWaalsContact O-CB 3.28Å; R582-A586 WeakPolarHBondContact O-CB 3.34Å; R582-A586 PolarHBondContact O-N 3.26Å; R582-Y597 HydrophobicContact CB-CD1 3.68Å; R582-Y597 HydrophobicContact CB-CE1 4.1Å; R582-T600 HydrophobicContact CG-CG2 4.22Å; R582-T600 WeakPolarHBondContact CG-OG1 3.49Å; R582-D601 PolarHBondContact N-OD1 2.6Å; R582-E697 PolarHBondContact NH1-O 3Å; R582-E697 VanDerWaalsContact NH1-O 3.09Å; R582-N698 PolarHBondContact NE-OD1 2.69Å; R582-N698 VanDerWaalsContact NE-OD1 3.12Å; R582-N698 PolarHBondContact NH1-OD1 2.67Å; R582-N698 PolarHBondContact NH2-OD1 2.96Å; R582-E701 IonicContact CZ-OE2 3.47Å; R582-E701 IonicContact NH1-OE2 3.41Å; R582-E701 PolarHBondContact NH1-OE2 3.04Å; R582-E701 IonicContact NH2-OE2 3.6Å; R582-E701 PolarHBondContact NH2-OE2 3.47Å; R582-G757 PolarHBondContact NE-O 2.91Å; R582-G757 PolarHBondContact NH2-O 3.42Å
583	S	93.8	Very high	88.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.9	-37.8	173.2	58.3	0	0	0	0	113.5	H538 T581 Q587 M593 D601	H538-S583 PolarHBondContact CE1-OG 3.15Å; T581-S583 VanDerWaalsContact C-N 3.28Å; T581-S583 PolarHBondContact O-N 3.33Å; S583-Q587 WeakPolarHBondContact O-CB 3.35Å; S583-Q587 VanDerWaalsContact O-CG 3.23Å; S583-Q587 WeakPolarHBondContact O-CG 3.45Å; S583-Q587 PolarHBondContact O-N 2.77Å; S583-Q587 PolarHBondContact O-NE2 3.02Å; S583-M593 WeakPolarHBondContact CB-SD 3.31Å; S583-M593 WeakPolarHBondContact O-CE 3.2Å; S583-D601 WeakPolarHBondContact CB-OD2 3.26Å; S583-D601 PolarHBondContact N-OD2 2.84Å; S583-D601 PolarHBondContact OG-OD2 2.64Å
584	F	96.8	Very high	88.5	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.6	-41.7	178.1	179.4	-129.3	0	0	0	111.7	F526 P539 F580 T581 R582 Q587 I588 V676 F679	F526-F584 AromaticContact CE1-CE1 4Å; F526-F584 HydrophobicContact CE1-CE1 4Å; F526-F584 HydrophobicContact CE1-CZ 4.21Å; P539-F584 HydrophobicContact CG-CD2 3.71Å; P539-F584 HydrophobicContact CG-CE2 3.64Å; P539-F584 HydrophobicContact CG-CG 4.29Å; P539-F584 HydrophobicContact CG-CZ 4.16Å; F580-F584 HydrophobicContact CB-CD1 4.12Å; F580-F584 AromaticContact CD1-CD1 3.58Å; F580-F584 HydrophobicContact CD1-CD1 3.58Å; F580-F584 AromaticContact CD1-CE1 3.66Å; F580-F584 HydrophobicContact CD1-CE1 3.66Å; F580-F584 HydrophobicContact CE1-CD1 4.23Å; F580-F584 AromaticContact CE1-CE1 3.83Å; F580-F584 HydrophobicContact CE1-CE1 3.83Å; F580-F584 AromaticContact CG-CD1 3.99Å; F580-F584 HydrophobicContact CG-CD1 3.99Å; F580-F584 HydrophobicContact CG-CE1 4.3Å; T581-F584 PolarHBondContact O-N 2.84Å; T581-F584 WeakPolarHBondContact OG1-CB 3.47Å; T581-F584 PolarHBondContact OG1-N 2.91Å; R582-F584 VanDerWaalsContact C-N 3.29Å; R582-F584 PolarHBondContact O-N 2.76Å; F584-Q587 WeakPolarHBondContact O-CB 3.3Å; F584-Q587 PolarHBondContact O-N 2.95Å; F584-I588 HydrophobicContact CD1-CD1 4.17Å; F584-I588 HydrophobicContact CD2-CG1 4.49Å; F584-I588 HydrophobicContact CE1-CD1 3.81Å; F584-I588 HydrophobicContact CE2-CD1 4.21Å; F584-I588 HydrophobicContact CE2-CG1 4.16Å; F584-I588 HydrophobicContact CZ-CD1 3.83Å; F584-I588 HydrophobicContact CZ-CG1 4.23Å; F584-I588 WeakPolarHBondContact O-CG1 3.3Å; F584-I588 PolarHBondContact O-N 3.16Å; F584-V676 HydrophobicContact CD2-CG2 4.14Å; F584-V676 HydrophobicContact CE2-CG2 4.08Å; F584-F679 HydrophobicContact CE1-CZ 4.35Å; F584-F679 HydrophobicContact CE2-CD1 4.33Å; F584-F679 HydrophobicContact CE2-CG 4.48Å; F584-F679 AromaticContact CZ-CD1 3.84Å; F584-F679 HydrophobicContact CZ-CD1 3.84Å; F584-F679 HydrophobicContact CZ-CD2 4.06Å; F584-F679 AromaticContact CZ-CE1 3.86Å; F584-F679 HydrophobicContact CZ-CE1 3.86Å; F584-F679 HydrophobicContact CZ-CE2 4.08Å; F584-F679 AromaticContact CZ-CG 3.94Å; F584-F679 HydrophobicContact CZ-CG 3.94Å; F584-F679 AromaticContact CZ-CZ 3.97Å; F584-F679 HydrophobicContact CZ-CZ 3.97Å
585	L	94.3	Very high	88.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-43.3	174.7	-64.6	173	0	0	0	111.4	F580 T581 R582 Q587 I588 I589 E697 L700 E701 M704	F580-L585 HydrophobicContact CB-CD1 4.18Å; F580-L585 HydrophobicContact CB-CD2 3.89Å; F580-L585 HydrophobicContact CB-CG 3.85Å; F580-L585 HydrophobicContact CD2-CD2 3.99Å; F580-L585 HydrophobicContact CG-CD2 4.24Å; T581-L585 PolarHBondContact O-N 3.28Å; T581-L585 VanDerWaalsContact O-N 3.15Å; R582-L585 PolarHBondContact O-N 3.48Å; L585-Q587 VanDerWaalsContact C-N 3.32Å; L585-Q587 PolarHBondContact O-N 3.48Å; L585-I588 HydrophobicContact CD2-CD1 4.36Å; L585-I588 WeakPolarHBondContact O-CB 3.38Å; L585-I588 PolarHBondContact O-N 2.98Å; L585-I588 VanDerWaalsContact O-N 3.12Å; L585-I589 WeakPolarHBondContact O-CG1 3.43Å; L585-I589 PolarHBondContact O-N 3.3Å; L585-I589 VanDerWaalsContact O-N 3.14Å; L585-E697 HydrophobicContact CB-CB 4.04Å; L585-E697 HydrophobicContact CB-CG 4.27Å; L585-E697 WeakPolarHBondContact CD1-O 3.42Å; L585-L700 HydrophobicContact CB-CD2 4.15Å; L585-L700 HydrophobicContact CD2-CD2 3.94Å; L585-L700 HydrophobicContact CD2-CG 4.19Å; L585-E701 HydrophobicContact CD1-CB 3.69Å; L585-E701 HydrophobicContact CD1-CG 4.22Å; L585-M704 HydrophobicContact CD2-CE 4.46Å; L585-M704 HydrophobicContact CD2-SD 4.3Å
586	A	90.1	Very high	89.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.7	-45.8	172.3	0	0	0	0	0	111.5	R582 I588 I589 G590 L591 M593 Y597 E697	R582-A586 VanDerWaalsContact O-CB 3.28Å; R582-A586 WeakPolarHBondContact O-CB 3.34Å; R582-A586 PolarHBondContact O-N 3.26Å; A586-I588 PolarHBondContact O-N 3.19Å; A586-I589 CarbonylContact O-C 3.46Å; A586-I589 VanDerWaalsContact O-CG1 3.25Å; A586-I589 WeakPolarHBondContact O-CG1 3.29Å; A586-I589 PolarHBondContact O-N 3.3Å; A586-G590 PolarHBondContact O-N 3.33Å; A586-L591 HydrophobicContact CB-CB 4.04Å; A586-L591 HydrophobicContact CB-CD1 4.46Å; A586-L591 WeakPolarHBondContact O-CB 3.39Å; A586-L591 PolarHBondContact O-N 3.04Å; A586-M593 HydrophobicContact CB-CE 3.5Å; A586-Y597 HydrophobicContact CB-CE1 3.98Å; A586-Y597 HydrophobicContact CB-CE2 4.18Å; A586-Y597 VanDerWaalsContact CB-OH 3.24Å; A586-Y597 WeakPolarHBondContact CB-OH 3.21Å; A586-E697 HydrophobicContact CB-CG 3.67Å; A586-E697 WeakPolarHBondContact CB-OE1 3.2Å
587	Q	92.1	Very high	89.1	Confident	20 Å²	20	29.4 Å²	29.4	9%	0.093	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-37.6	175.6	-75.7	172	87.9	0	0	113.1	S583 F584 L585 I589 G590 M593 L668 A669 V676	S583-Q587 WeakPolarHBondContact O-CB 3.35Å; S583-Q587 VanDerWaalsContact O-CG 3.23Å; S583-Q587 WeakPolarHBondContact O-CG 3.45Å; S583-Q587 PolarHBondContact O-N 2.77Å; S583-Q587 PolarHBondContact O-NE2 3.02Å; F584-Q587 WeakPolarHBondContact O-CB 3.3Å; F584-Q587 PolarHBondContact O-N 2.95Å; L585-Q587 VanDerWaalsContact C-N 3.32Å; L585-Q587 PolarHBondContact O-N 3.48Å; Q587-I589 VanDerWaalsContact C-N 3.26Å; Q587-I589 PolarHBondContact O-N 3.16Å; Q587-G590 PolarHBondContact O-N 2.88Å; Q587-M593 HydrophobicContact CG-CE 3.63Å; Q587-M593 HydrophobicContact CG-CG 4.45Å; Q587-M593 HydrophobicContact CG-SD 3.77Å; Q587-L668 PolarHBondContact NE2-O 2.83Å; Q587-A669 HydrophobicContact CG-CB 4.38Å; Q587-A669 VanDerWaalsContact OE1-CB 3.25Å; Q587-V676 HydrophobicContact CB-CG1 4.11Å
588	I	92.8	Very high	89.5	Confident	11 Å²	11	24.5 Å²	24.5	6%	0.056	12%	0.122	C	C	.	.	H	α-helix	trans	-59.7	-40.8	176.1	-72.4	167.6	0	0	0	110.6	F584 L585 A586 G590 F679 L680 L683 L692 L700	F584-I588 HydrophobicContact CD1-CD1 4.17Å; F584-I588 HydrophobicContact CD2-CG1 4.49Å; F584-I588 HydrophobicContact CE1-CD1 3.81Å; F584-I588 HydrophobicContact CE2-CD1 4.21Å; F584-I588 HydrophobicContact CE2-CG1 4.16Å; F584-I588 HydrophobicContact CZ-CD1 3.83Å; F584-I588 HydrophobicContact CZ-CG1 4.23Å; F584-I588 WeakPolarHBondContact O-CG1 3.3Å; F584-I588 PolarHBondContact O-N 3.16Å; L585-I588 HydrophobicContact CD2-CD1 4.36Å; L585-I588 WeakPolarHBondContact O-CB 3.38Å; L585-I588 PolarHBondContact O-N 2.98Å; L585-I588 VanDerWaalsContact O-N 3.12Å; A586-I588 PolarHBondContact O-N 3.19Å; I588-G590 VanDerWaalsContact C-N 3.27Å; I588-G590 PolarHBondContact O-N 3.29Å; I588-F679 HydrophobicContact CD1-CD1 4.38Å; I588-F679 HydrophobicContact CD1-CE1 3.62Å; I588-F679 HydrophobicContact CD1-CZ 4.25Å; I588-F679 HydrophobicContact CG1-CD1 4.28Å; I588-F679 HydrophobicContact CG1-CE1 3.94Å; I588-L680 HydrophobicContact CB-CD2 4.43Å; I588-L680 HydrophobicContact CG1-CD2 4.48Å; I588-L680 HydrophobicContact CG2-CD2 4.27Å; I588-L683 HydrophobicContact CG2-CD2 3.76Å; I588-L692 HydrophobicContact CG2-CD1 4.16Å; I588-L700 HydrophobicContact CB-CD2 4.08Å; I588-L700 HydrophobicContact CG2-CD2 3.85Å
589	I	86.9	Confident	89.7	Confident	6 Å²	6	27.4 Å²	27.4	3%	0.031	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	12.1	174.4	64.6	-179.8	0	0	0	112.5	R380 L585 A586 Q587 L591 L692 F695 E697 L700	R380-I589 PolarHBondContact NH1-O 3.19Å; R380-I589 PolarHBondContact NH2-O 3.14Å; L585-I589 WeakPolarHBondContact O-CG1 3.43Å; L585-I589 PolarHBondContact O-N 3.3Å; L585-I589 VanDerWaalsContact O-N 3.14Å; A586-I589 CarbonylContact O-C 3.46Å; A586-I589 VanDerWaalsContact O-CG1 3.25Å; A586-I589 WeakPolarHBondContact O-CG1 3.29Å; A586-I589 PolarHBondContact O-N 3.3Å; Q587-I589 VanDerWaalsContact C-N 3.26Å; Q587-I589 PolarHBondContact O-N 3.16Å; I589-L591 HydrophobicContact CD1-CD1 3.58Å; I589-L591 HydrophobicContact CD1-CG 4.24Å; I589-L591 HydrophobicContact CG1-CD1 3.85Å; I589-L591 HydrophobicContact CG1-CG 4Å; I589-L591 PolarHBondContact O-N 3.24Å; I589-L692 HydrophobicContact CG2-CB 4.22Å; I589-L692 WeakPolarHBondContact CG2-O 3.5Å; I589-F695 VanDerWaalsContact CD1-O 3.26Å; I589-F695 WeakPolarHBondContact CD1-O 3.41Å; I589-E697 HydrophobicContact CD1-CG 4.25Å; I589-L700 HydrophobicContact CG2-CD2 3.61Å
590	G	81.1	Confident	89.7	Confident	64 Å²	64	27.6 Å²	27.6	66%	0.66	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	24.4	172.3	0	0	0	0	0	115.5	A586 Q587 I588	A586-G590 PolarHBondContact O-N 3.33Å; Q587-G590 PolarHBondContact O-N 2.88Å; I588-G590 VanDerWaalsContact C-N 3.27Å; I588-G590 PolarHBondContact O-N 3.29Å
591	L	80.7	Confident	89.7	Confident	31 Å²	31	27.7 Å²	27.7	16%	0.162	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-83.2	152.9	171.2	-67.2	172.3	0	0	0	111.3	R380 A586 I589 M593 E697	R380-L591 HydrophobicContact CB-CD2 4.25Å; A586-L591 HydrophobicContact CB-CB 4.04Å; A586-L591 HydrophobicContact CB-CD1 4.46Å; A586-L591 WeakPolarHBondContact O-CB 3.39Å; A586-L591 PolarHBondContact O-N 3.04Å; I589-L591 HydrophobicContact CD1-CD1 3.58Å; I589-L591 HydrophobicContact CD1-CG 4.24Å; I589-L591 HydrophobicContact CG1-CD1 3.85Å; I589-L591 HydrophobicContact CG1-CG 4Å; I589-L591 PolarHBondContact O-N 3.24Å; L591-M593 WeakPolarHBondContact O-CE 3.46Å; L591-E697 WeakPolarHBondContact CD1-OE1 3.2Å
592	R	77.9	Confident	89.6	Confident	174 Å²	174	28.5 Å²	28.5	66%	0.657	14%	0.144	S	C	*	.	P	Polyproline II helix	trans	-82.7	152.7	174.9	-78.5	-175.3	161.2	-173.8	-7.5	110.6
593	M	87.2	Confident	89.5	Confident	7 Å²	7	30 Å²	30	3%	0.034	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-82.9	134.1	-178.6	-58	-60.3	86	0	0	111.3	S583 A586 Q587 L591 Y597 A664 L668 A669	S583-M593 WeakPolarHBondContact CB-SD 3.31Å; S583-M593 WeakPolarHBondContact O-CE 3.2Å; A586-M593 HydrophobicContact CB-CE 3.5Å; Q587-M593 HydrophobicContact CG-CE 3.63Å; Q587-M593 HydrophobicContact CG-CG 4.45Å; Q587-M593 HydrophobicContact CG-SD 3.77Å; L591-M593 WeakPolarHBondContact O-CE 3.46Å; M593-Y597 HydrophobicContact CE-CD2 4.42Å; M593-Y597 HydrophobicContact CE-CE2 3.95Å; M593-Y597 HydrophobicContact SD-CD2 4.23Å; M593-Y597 HydrophobicContact SD-CE2 4.35Å; M593-A664 HydrophobicContact CB-CB 4.41Å; M593-L668 HydrophobicContact CB-CB 4.39Å; M593-L668 HydrophobicContact CG-CB 4.03Å; M593-L668 HydrophobicContact SD-CB 4.24Å; M593-A669 HydrophobicContact CG-CB 3.5Å
594	H	84.7	Confident	89.3	Confident	10 Å²	10	36.8 Å²	36.8	5%	0.046	19%	0.187	C	C	.	.			trans	-114.8	153.3	176.3	-169.2	-106.6	0	0	0	111	I407 K596 Y597 N661 A664	I407-H594 HydrophobicContact CG2-CB 3.97Å; I407-H594 PolarHBondContact O-CD2 2.79Å; I407-H594 PolarHBondContact O-NE2 2.83Å; H594-K596 VanDerWaalsContact ND1-CB 3.32Å; H594-K596 WeakPolarHBondContact ND1-CB 3.33Å; H594-K596 VanDerWaalsContact ND1-CG 3.34Å; H594-K596 WeakPolarHBondContact ND1-CG 3.45Å; H594-K596 PolarHBondContact ND1-N 3.23Å; H594-K596 PolarHBondContact O-N 2.84Å; H594-Y597 HydrophobicContact CB-CD2 4.11Å; H594-Y597 HydrophobicContact CB-CE2 4.14Å; H594-Y597 WeakPolarHBondContact O-CD2 3.38Å; H594-Y597 PolarHBondContact O-N 3.06Å; H594-Y597 VanDerWaalsContact O-N 3.13Å; H594-N661 PolarHBondContact CD2-ND2 2.9Å; H594-N661 PolarHBondContact CD2-OD1 3.16Å; H594-N661 PolarHBondContact NE2-ND2 2.72Å; H594-N661 PolarHBondContact NE2-OD1 3.4Å; H594-A664 WeakPolarHBondContact O-CB 3.36Å
595	Y	91.2	Very high	89.2	Confident	25 Å²	25	37.9 Å²	37.9	10%	0.098	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.7	178.1	74.2	-104.4	0	0	0	113.5	Y597 F598 Y606 V610 L614 I657 L660 N661	Y595-Y597 PolarHBondContact O-N 2.9Å; Y595-F598 WeakPolarHBondContact O-CB 3.48Å; Y595-F598 WeakPolarHBondContact O-CD2 3.41Å; Y595-F598 PolarHBondContact O-N 2.77Å; Y595-Y606 HydrophobicContact CD2-CE2 4.16Å; Y595-Y606 HydrophobicContact CE2-CE2 4.43Å; Y595-V610 HydrophobicContact CD2-CG1 3.4Å; Y595-V610 HydrophobicContact CE2-CG1 4.1Å; Y595-V610 HydrophobicContact CG-CG1 4.05Å; Y595-L614 HydrophobicContact CD2-CD1 4.43Å; Y595-L614 HydrophobicContact CE2-CD1 3.71Å; Y595-L614 HydrophobicContact CE2-CD2 4.29Å; Y595-I657 HydrophobicContact CE1-CD1 4.06Å; Y595-I657 HydrophobicContact CE1-CG2 4.15Å; Y595-L660 HydrophobicContact CD1-CB 3.71Å; Y595-L660 HydrophobicContact CD1-CD1 4.25Å; Y595-L660 HydrophobicContact CG-CB 3.87Å; Y595-L660 HydrophobicContact CG-CD1 4.3Å; Y595-N661 VanDerWaalsContact CD1-OD1 3.22Å; Y595-N661 WeakPolarHBondContact CD1-OD1 3.4Å; Y595-N661 PolarHBondContact N-OD1 2.97Å; Y595-N661 VanDerWaalsContact N-OD1 3.08Å
596	K	88.9	Confident	89.1	Confident	89 Å²	89	39.6 Å²	39.6	39%	0.387	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.2	177.5	-73.5	172.8	-178.9	177.1	0	112.6	G406 H594 F598 E599	G406-K596 PolarHBondContact O-NZ 3.5Å; G406-K596 VanDerWaalsContact O-NZ 3.13Å; H594-K596 VanDerWaalsContact ND1-CB 3.32Å; H594-K596 WeakPolarHBondContact ND1-CB 3.33Å; H594-K596 VanDerWaalsContact ND1-CG 3.34Å; H594-K596 WeakPolarHBondContact ND1-CG 3.45Å; H594-K596 PolarHBondContact ND1-N 3.23Å; H594-K596 PolarHBondContact O-N 2.84Å; K596-F598 PolarHBondContact O-N 2.92Å; K596-E599 WeakPolarHBondContact O-CB 3.22Å; K596-E599 PolarHBondContact O-N 2.84Å
597	Y	91.8	Very high	89.2	Confident	25 Å²	25	46.6 Å²	46.6	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-24	175	-68.8	-62.5	0	0	0	112.7	R582 A586 M593 H594 Y595 E599 T600 D601 E697	R582-Y597 HydrophobicContact CB-CD1 3.68Å; R582-Y597 HydrophobicContact CB-CE1 4.1Å; A586-Y597 HydrophobicContact CB-CE1 3.98Å; A586-Y597 HydrophobicContact CB-CE2 4.18Å; A586-Y597 VanDerWaalsContact CB-OH 3.24Å; A586-Y597 WeakPolarHBondContact CB-OH 3.21Å; M593-Y597 HydrophobicContact CE-CD2 4.42Å; M593-Y597 HydrophobicContact CE-CE2 3.95Å; M593-Y597 HydrophobicContact SD-CD2 4.23Å; M593-Y597 HydrophobicContact SD-CE2 4.35Å; H594-Y597 HydrophobicContact CB-CD2 4.11Å; H594-Y597 HydrophobicContact CB-CE2 4.14Å; H594-Y597 WeakPolarHBondContact O-CD2 3.38Å; H594-Y597 PolarHBondContact O-N 3.06Å; H594-Y597 VanDerWaalsContact O-N 3.13Å; Y595-Y597 PolarHBondContact O-N 2.9Å; Y597-E599 PolarHBondContact O-N 2.85Å; Y597-T600 PolarHBondContact O-N 3.49Å; Y597-T600 PolarHBondContact O-OG1 2.78Å; Y597-D601 VanDerWaalsContact O-CB 3.23Å; Y597-D601 WeakPolarHBondContact O-CB 3.34Å; Y597-D601 VanDerWaalsContact O-CG 3.22Å; Y597-D601 PolarHBondContact O-N 2.77Å; Y597-E697 HydrophobicContact CE1-CG 4.5Å; Y597-E697 PolarHBondContact OH-OE1 3.47Å
598	F	94.1	Very high	89.2	Confident	1 Å²	1	49.4 Å²	49.4	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-60.7	-28.9	172.2	-67	-61.8	0	0	0	111.6	Y595 K596 T600 D601 D602 F605 Y606 V610 A664 R667 L668	Y595-F598 WeakPolarHBondContact O-CB 3.48Å; Y595-F598 WeakPolarHBondContact O-CD2 3.41Å; Y595-F598 PolarHBondContact O-N 2.77Å; K596-F598 PolarHBondContact O-N 2.92Å; F598-T600 PolarHBondContact O-N 2.96Å; F598-D601 PolarHBondContact O-N 2.78Å; F598-D602 HydrophobicContact CD1-CB 4.19Å; F598-D602 CarbonylContact O-C 3.6Å; F598-D602 WeakPolarHBondContact O-CA 3.36Å; F598-D602 PolarHBondContact O-N 2.98Å; F598-F605 HydrophobicContact CB-CD1 4.42Å; F598-F605 AromaticContact CD1-CD1 3.69Å; F598-F605 HydrophobicContact CD1-CD1 3.69Å; F598-F605 HydrophobicContact CD1-CE1 4.13Å; F598-F605 HydrophobicContact CD2-CD1 4.09Å; F598-F605 HydrophobicContact CD2-CE1 4.07Å; F598-F605 AromaticContact CE1-CD1 3.81Å; F598-F605 HydrophobicContact CE1-CD1 3.81Å; F598-F605 AromaticContact CE1-CE1 3.83Å; F598-F605 HydrophobicContact CE1-CE1 3.83Å; F598-F605 HydrophobicContact CE2-CD1 4.21Å; F598-F605 AromaticContact CE2-CE1 3.77Å; F598-F605 HydrophobicContact CE2-CE1 3.77Å; F598-F605 AromaticContact CG-CD1 3.84Å; F598-F605 HydrophobicContact CG-CD1 3.84Å; F598-F605 HydrophobicContact CG-CE1 4.25Å; F598-F605 HydrophobicContact CZ-CD1 4.06Å; F598-F605 AromaticContact CZ-CE1 3.63Å; F598-F605 HydrophobicContact CZ-CE1 3.63Å; F598-Y606 HydrophobicContact CB-CD2 3.98Å; F598-Y606 HydrophobicContact CB-CG 4.4Å; F598-V610 HydrophobicContact CB-CG2 4.43Å; F598-V610 HydrophobicContact CD2-CG2 3.81Å; F598-V610 HydrophobicContact CE2-CG2 4.47Å; F598-V610 HydrophobicContact CG-CG2 4.4Å; F598-A664 HydrophobicContact CD2-CB 4.41Å; F598-A664 HydrophobicContact CE2-CB 3.66Å; F598-A664 HydrophobicContact CZ-CB 4.13Å; F598-R667 HydrophobicContact CE1-CB 4.06Å; F598-R667 HydrophobicContact CZ-CB 3.92Å; F598-L668 HydrophobicContact CD1-CD1 4.03Å; F598-L668 HydrophobicContact CD1-CD2 3.99Å; F598-L668 HydrophobicContact CD1-CG 4.25Å; F598-L668 HydrophobicContact CE1-CD1 3.88Å; F598-L668 HydrophobicContact CE1-CD2 3.64Å; F598-L668 HydrophobicContact CE1-CG 3.69Å; F598-L668 HydrophobicContact CG-CD1 4.44Å; F598-L668 HydrophobicContact CZ-CD1 4.14Å; F598-L668 HydrophobicContact CZ-CD2 4.49Å; F598-L668 HydrophobicContact CZ-CG 4.07Å
599	E	90.4	Very high	89.3	Confident	69 Å²	69	51.1 Å²	51.1	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-57.9	-37.3	178.4	-173.2	169.8	-168.2	0	0	112.5	K596 Y597 Y606 C790	K596-E599 WeakPolarHBondContact O-CB 3.22Å; K596-E599 PolarHBondContact O-N 2.84Å; Y597-E599 PolarHBondContact O-N 2.85Å; E599-Y606 HydrophobicContact CB-CD1 3.83Å; E599-Y606 HydrophobicContact CB-CD2 4.09Å; E599-Y606 HydrophobicContact CB-CE1 3.79Å; E599-Y606 HydrophobicContact CB-CE2 4.07Å; E599-Y606 HydrophobicContact CB-CG 3.97Å; E599-Y606 HydrophobicContact CG-CD1 3.92Å; E599-Y606 HydrophobicContact CG-CE1 3.72Å; E599-C790 PolarHBondContact O-SG 3.14Å; E599-C790 VanDerWaalsContact O-SG 3.33Å
600	T	88.9	Confident	89.7	Confident	36 Å²	36	50.8 Å²	50.8	22%	0.221	26%	0.256	C	S	.	.	H	α-helix	trans	-93.7	-37.9	176.3	55.4	0	0	0	0	113	R582 Y597 F598	R582-T600 HydrophobicContact CG-CG2 4.22Å; R582-T600 WeakPolarHBondContact CG-OG1 3.49Å; Y597-T600 PolarHBondContact O-N 3.49Å; Y597-T600 PolarHBondContact O-OG1 2.78Å; F598-T600 PolarHBondContact O-N 2.96Å
601	D	92.5	Very high	90.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.011	23%	0.234	C	C	.	.	H	α-helix	trans	-87.4	-37.6	-167.9	-63.4	-6	0	0	0	112.4	F529 T581 R582 S583 Y597 F598	F529-D601 WeakPolarHBondContact CB-O 3.36Å; F529-D601 HydrophobicContact CD2-CB 4.12Å; F529-D601 WeakPolarHBondContact CD2-O 3.13Å; F529-D601 HydrophobicContact CE2-CB 4.16Å; T581-D601 WeakPolarHBondContact CA-OD1 3.31Å; T581-D601 VanDerWaalsContact CB-CG 3.48Å; T581-D601 WeakPolarHBondContact CB-OD1 3.45Å; T581-D601 WeakPolarHBondContact CB-OD2 2.85Å; T581-D601 HydrophobicContact CG2-CB 4Å; R582-D601 PolarHBondContact N-OD1 2.6Å; S583-D601 WeakPolarHBondContact CB-OD2 3.26Å; S583-D601 PolarHBondContact N-OD2 2.84Å; S583-D601 PolarHBondContact OG-OD2 2.64Å; Y597-D601 VanDerWaalsContact O-CB 3.23Å; Y597-D601 WeakPolarHBondContact O-CB 3.34Å; Y597-D601 VanDerWaalsContact O-CG 3.22Å; Y597-D601 PolarHBondContact O-N 2.77Å; F598-D601 PolarHBondContact O-N 2.78Å
602	D	92.9	Very high	90.9	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.091	25%	0.247	C	C	.	.			trans	-141.2	72.1	178.3	-167.8	-15.6	0	0	0	110.9	F529 F598 E604 F605 Y606	F529-D602 HydrophobicContact CB-CB 3.78Å; F529-D602 HydrophobicContact CG-CB 4.05Å; F598-D602 HydrophobicContact CD1-CB 4.19Å; F598-D602 CarbonylContact O-C 3.6Å; F598-D602 WeakPolarHBondContact O-CA 3.36Å; F598-D602 PolarHBondContact O-N 2.98Å; D602-E604 PolarHBondContact O-N 3.17Å; D602-E604 VanDerWaalsContact O-N 3.14Å; D602-F605 HydrophobicContact CB-CB 3.96Å; D602-F605 PolarHBondContact O-N 3.08Å; D602-F605 VanDerWaalsContact O-N 3.14Å; D602-F605 VanDerWaalsContact OD1-CB 3.3Å; D602-F605 WeakPolarHBondContact OD1-CB 3.37Å; D602-F605 PolarHBondContact OD1-N 2.81Å; D602-F605 VanDerWaalsContact OD1-N 3.1Å; D602-F605 VanDerWaalsContact OD2-CB 3.22Å; D602-F605 WeakPolarHBondContact OD2-CB 3.38Å; D602-Y606 PolarHBondContact O-N 3.34Å
603	P	89.6	Confident	91.7	Very high	42 Å²	42	44.4 Å²	44.4	27%	0.273	22%	0.217	S	C	.	.	H	α-helix	trans	-51.6	-35.9	-177.9	-33.7	38.8	0	0	0	114.9	K607 C790	P603-K607 WeakPolarHBondContact O-CB 3.5Å; P603-K607 PolarHBondContact O-N 2.94Å; P603-C790 HydrophobicContact CB-CB 4.1Å; P603-C790 VanDerWaalsContact CB-SG 3.57Å
604	E	90.9	Very high	91.9	Very high	144 Å²	144	46 Å²	46	67%	0.673	23%	0.225	S	C	*	.	H	α-helix	trans	-70.9	-45.2	-178.7	-175	175.8	-179.3	0	0	110.8	D602 Y606 K607 S608	D602-E604 PolarHBondContact O-N 3.17Å; D602-E604 VanDerWaalsContact O-N 3.14Å; E604-Y606 VanDerWaalsContact C-N 3.35Å; E604-K607 PolarHBondContact O-N 3.15Å; E604-S608 VanDerWaalsContact O-CB 3.3Å; E604-S608 WeakPolarHBondContact O-CB 3.21Å; E604-S608 PolarHBondContact O-N 3.4Å; E604-S608 PolarHBondContact O-OG 2.9Å
605	F	93.7	Very high	92.3	Very high	23 Å²	23	51 Å²	51	10%	0.101	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-39.5	173.8	-173.6	-97.4	0	0	0	112.3	F598 D602 K609 V610 L663	F598-F605 HydrophobicContact CB-CD1 4.42Å; F598-F605 AromaticContact CD1-CD1 3.69Å; F598-F605 HydrophobicContact CD1-CD1 3.69Å; F598-F605 HydrophobicContact CD1-CE1 4.13Å; F598-F605 HydrophobicContact CD2-CD1 4.09Å; F598-F605 HydrophobicContact CD2-CE1 4.07Å; F598-F605 AromaticContact CE1-CD1 3.81Å; F598-F605 HydrophobicContact CE1-CD1 3.81Å; F598-F605 AromaticContact CE1-CE1 3.83Å; F598-F605 HydrophobicContact CE1-CE1 3.83Å; F598-F605 HydrophobicContact CE2-CD1 4.21Å; F598-F605 AromaticContact CE2-CE1 3.77Å; F598-F605 HydrophobicContact CE2-CE1 3.77Å; F598-F605 AromaticContact CG-CD1 3.84Å; F598-F605 HydrophobicContact CG-CD1 3.84Å; F598-F605 HydrophobicContact CG-CE1 4.25Å; F598-F605 HydrophobicContact CZ-CD1 4.06Å; F598-F605 AromaticContact CZ-CE1 3.63Å; F598-F605 HydrophobicContact CZ-CE1 3.63Å; D602-F605 HydrophobicContact CB-CB 3.96Å; D602-F605 PolarHBondContact O-N 3.08Å; D602-F605 VanDerWaalsContact O-N 3.14Å; D602-F605 VanDerWaalsContact OD1-CB 3.3Å; D602-F605 WeakPolarHBondContact OD1-CB 3.37Å; D602-F605 PolarHBondContact OD1-N 2.81Å; D602-F605 VanDerWaalsContact OD1-N 3.1Å; D602-F605 VanDerWaalsContact OD2-CB 3.22Å; D602-F605 WeakPolarHBondContact OD2-CB 3.38Å; F605-K609 HydrophobicContact CE2-CB 4.3Å; F605-K609 HydrophobicContact CE2-CD 3.73Å; F605-K609 HydrophobicContact CZ-CB 4.39Å; F605-K609 HydrophobicContact CZ-CD 3.68Å; F605-K609 HydrophobicContact CZ-CG 4.41Å; F605-K609 PolarHBondContact O-N 3.26Å; F605-V610 HydrophobicContact CD1-CG2 4.09Å; F605-V610 HydrophobicContact CE1-CG2 4.11Å; F605-V610 PolarHBondContact O-N 3.46Å; F605-L663 HydrophobicContact CE1-CD2 4.18Å; F605-L663 HydrophobicContact CZ-CD2 3.9Å; F605-L663 HydrophobicContact CZ-CG 4.36Å
606	Y	93.7	Very high	92.4	Very high	35 Å²	35	53 Å²	53	14%	0.137	27%	0.265	C	S	.	.	I	π-helix	trans	-57.6	-52	174.5	-174	-110.1	0	0	0	110.7	Y595 F598 E599 D602 E604 V610 C611	Y595-Y606 HydrophobicContact CD2-CE2 4.16Å; Y595-Y606 HydrophobicContact CE2-CE2 4.43Å; F598-Y606 HydrophobicContact CB-CD2 3.98Å; F598-Y606 HydrophobicContact CB-CG 4.4Å; E599-Y606 HydrophobicContact CB-CD1 3.83Å; E599-Y606 HydrophobicContact CB-CD2 4.09Å; E599-Y606 HydrophobicContact CB-CE1 3.79Å; E599-Y606 HydrophobicContact CB-CE2 4.07Å; E599-Y606 HydrophobicContact CB-CG 3.97Å; E599-Y606 HydrophobicContact CG-CD1 3.92Å; E599-Y606 HydrophobicContact CG-CE1 3.72Å; D602-Y606 PolarHBondContact O-N 3.34Å; E604-Y606 VanDerWaalsContact C-N 3.35Å; Y606-V610 HydrophobicContact CD2-CB 3.69Å; Y606-V610 HydrophobicContact CD2-CG1 3.63Å; Y606-V610 HydrophobicContact CD2-CG2 4.11Å; Y606-V610 HydrophobicContact CE2-CB 4.18Å; Y606-V610 HydrophobicContact CE2-CG1 3.63Å; Y606-V610 HydrophobicContact CG-CB 4.37Å; Y606-V610 CarbonylContact O-C 3.59Å; Y606-V610 WeakPolarHBondContact O-CA 3.39Å; Y606-V610 VanDerWaalsContact O-CB 3.28Å; Y606-V610 WeakPolarHBondContact O-CB 3.4Å; Y606-V610 PolarHBondContact O-N 2.79Å; Y606-V610 VanDerWaalsContact O-N 3.12Å; Y606-C611 WeakPolarHBondContact CE1-SG 3.42Å; Y606-C611 PolarHBondContact O-N 3.49Å; Y606-C611 PolarHBondContact O-SG 2.68Å
607	K	91.4	Very high	92.5	Very high	148 Å²	148	53.4 Å²	53.4	64%	0.643	27%	0.271	S	S	*	.	I	π-helix	trans	-64	-46.2	-179.9	-173.9	-179.2	179.4	-176.1	0	113	P603 E604	P603-K607 WeakPolarHBondContact O-CB 3.5Å; P603-K607 PolarHBondContact O-N 2.94Å; E604-K607 PolarHBondContact O-N 3.15Å
608	S	92.8	Very high	92.4	Very high	78 Å²	78	52.3 Å²	52.3	55%	0.545	27%	0.267	S	S	.	.	I	π-helix	trans	-78.9	-38.2	-170.2	57.9	0	0	0	0	114	E604 F612	E604-S608 VanDerWaalsContact O-CB 3.3Å; E604-S608 WeakPolarHBondContact O-CB 3.21Å; E604-S608 PolarHBondContact O-N 3.4Å; E604-S608 PolarHBondContact O-OG 2.9Å; S608-F612 WeakPolarHBondContact O-CB 3.16Å
609	K	94.4	Very high	92	Very high	47 Å²	47	56.6 Å²	56.6	20%	0.204	30%	0.297	C	S	.	.	I	π-helix	trans	-110.6	-49.5	-177.2	-171	166.5	176.2	177.1	0	112.2	F605 I613 E627 Y659 L663	F605-K609 HydrophobicContact CE2-CB 4.3Å; F605-K609 HydrophobicContact CE2-CD 3.73Å; F605-K609 HydrophobicContact CZ-CB 4.39Å; F605-K609 HydrophobicContact CZ-CD 3.68Å; F605-K609 HydrophobicContact CZ-CG 4.41Å; F605-K609 PolarHBondContact O-N 3.26Å; K609-I613 HydrophobicContact CG-CD1 3.94Å; K609-I613 WeakPolarHBondContact O-CD1 3.31Å; K609-I613 VanDerWaalsContact O-CG1 3.28Å; K609-I613 WeakPolarHBondContact O-CG1 3.45Å; K609-I613 PolarHBondContact O-N 2.9Å; K609-E627 IonicContact NZ-OE1 3.89Å; K609-E627 PolarHBondContact NZ-OE1 3.35Å; K609-E627 IonicContact NZ-OE2 3.16Å; K609-E627 PolarHBondContact NZ-OE2 3.35Å; K609-Y659 WeakPolarHBondContact CE-OH 3.44Å; K609-Y659 PolarHBondContact NZ-OH 2.87Å; K609-L663 HydrophobicContact CD-CD2 4.32Å
610	V	94.8	Very high	91.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.326	C	S	.	.	I	π-helix	trans	-69.2	-56.5	-172.9	-177.2	0	0	0	0	111.4	Y595 F598 F605 Y606 F612 I613 L614 L660	Y595-V610 HydrophobicContact CD2-CG1 3.4Å; Y595-V610 HydrophobicContact CE2-CG1 4.1Å; Y595-V610 HydrophobicContact CG-CG1 4.05Å; F598-V610 HydrophobicContact CB-CG2 4.43Å; F598-V610 HydrophobicContact CD2-CG2 3.81Å; F598-V610 HydrophobicContact CE2-CG2 4.47Å; F598-V610 HydrophobicContact CG-CG2 4.4Å; F605-V610 HydrophobicContact CD1-CG2 4.09Å; F605-V610 HydrophobicContact CE1-CG2 4.11Å; F605-V610 PolarHBondContact O-N 3.46Å; Y606-V610 HydrophobicContact CD2-CB 3.69Å; Y606-V610 HydrophobicContact CD2-CG1 3.63Å; Y606-V610 HydrophobicContact CD2-CG2 4.11Å; Y606-V610 HydrophobicContact CE2-CB 4.18Å; Y606-V610 HydrophobicContact CE2-CG1 3.63Å; Y606-V610 HydrophobicContact CG-CB 4.37Å; Y606-V610 CarbonylContact O-C 3.59Å; Y606-V610 WeakPolarHBondContact O-CA 3.39Å; Y606-V610 VanDerWaalsContact O-CB 3.28Å; Y606-V610 WeakPolarHBondContact O-CB 3.4Å; Y606-V610 PolarHBondContact O-N 2.79Å; Y606-V610 VanDerWaalsContact O-N 3.12Å; V610-F612 PolarHBondContact O-N 2.96Å; V610-I613 PolarHBondContact O-N 2.9Å; V610-L614 HydrophobicContact CG1-CD1 4Å; V610-L614 HydrophobicContact CG1-CG 4.42Å; V610-L614 VanDerWaalsContact O-CG 3.31Å; V610-L614 WeakPolarHBondContact O-CG 3.45Å; V610-L614 PolarHBondContact O-N 3.45Å; V610-L660 HydrophobicContact CB-CD2 4.38Å; V610-L660 HydrophobicContact CG1-CD1 4.11Å; V610-L660 HydrophobicContact CG1-CD2 4.16Å; V610-L660 HydrophobicContact CG2-CD2 4.26Å
611	C	93.7	Very high	91.4	Very high	31 Å²	31	63.6 Å²	63.6	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-36	177	-65.9	0	0	0	0	112	Y606 L614 N615	Y606-C611 WeakPolarHBondContact CE1-SG 3.42Å; Y606-C611 PolarHBondContact O-N 3.49Å; Y606-C611 PolarHBondContact O-SG 2.68Å; C611-L614 PolarHBondContact O-N 2.83Å; C611-N615 VanDerWaalsContact O-CB 3.32Å; C611-N615 WeakPolarHBondContact O-CB 3.36Å; C611-N615 VanDerWaalsContact O-CG 3.3Å; C611-N615 PolarHBondContact O-N 2.78Å; C611-N615 PolarHBondContact O-ND2 3.43Å
612	F	93.3	Very high	91.2	Very high	99 Å²	99	73 Å²	73	43%	0.434	37%	0.372	S	S	.	.	H	α-helix	trans	-60.3	-51.1	175.1	-177.5	-96.7	0	0	0	111.2	S608 V610 L614 N615 N616 M621	S608-F612 WeakPolarHBondContact O-CB 3.16Å; V610-F612 PolarHBondContact O-N 2.96Å; F612-L614 VanDerWaalsContact C-N 3.32Å; F612-L614 PolarHBondContact O-N 2.7Å; F612-N615 PolarHBondContact O-N 3Å; F612-N616 WeakPolarHBondContact CD2-ND2 3.43Å; F612-N616 WeakPolarHBondContact CE2-ND2 3.39Å; F612-N616 WeakPolarHBondContact O-CB 3.46Å; F612-N616 PolarHBondContact O-N 3.04Å; F612-N616 PolarHBondContact O-ND2 3.5Å; F612-M621 HydrophobicContact CD1-CE 4.12Å; F612-M621 HydrophobicContact CD1-SD 4.39Å; F612-M621 HydrophobicContact CE1-CE 3.41Å; F612-M621 VanDerWaalsContact CE1-CE 3.41Å; F612-M621 HydrophobicContact CE1-SD 3.65Å; F612-M621 HydrophobicContact CZ-CE 4.14Å
613	I	94.8	Very high	91.3	Very high	4 Å²	4	74 Å²	74	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-62.2	-40.4	177.1	-69.7	166.7	0	0	0	111.2	K609 V610 N615 M618 L623 K656 Y659 L660	K609-I613 HydrophobicContact CG-CD1 3.94Å; K609-I613 WeakPolarHBondContact O-CD1 3.31Å; K609-I613 VanDerWaalsContact O-CG1 3.28Å; K609-I613 WeakPolarHBondContact O-CG1 3.45Å; K609-I613 PolarHBondContact O-N 2.9Å; V610-I613 PolarHBondContact O-N 2.9Å; I613-N615 PolarHBondContact O-N 2.92Å; I613-M618 HydrophobicContact CB-SD 4.22Å; I613-M618 HydrophobicContact CG1-CE 4.2Å; I613-M618 HydrophobicContact CG1-SD 4.23Å; I613-M618 HydrophobicContact CG2-CE 4.4Å; I613-M618 HydrophobicContact CG2-SD 3.86Å; I613-L623 HydrophobicContact CD1-CD2 3.71Å; I613-L623 HydrophobicContact CG1-CD2 4.25Å; I613-K656 HydrophobicContact CG2-CB 3.82Å; I613-K656 HydrophobicContact CG2-CD 4.25Å; I613-K656 HydrophobicContact CG2-CG 4.4Å; I613-K656 VanDerWaalsContact O-CD 3.32Å; I613-K656 WeakPolarHBondContact O-CD 3.1Å; I613-K656 WeakPolarHBondContact O-CE 3.46Å; I613-K656 PolarHBondContact O-NZ 3.16Å; I613-Y659 HydrophobicContact CD1-CD1 4.17Å; I613-Y659 HydrophobicContact CD1-CE1 3.72Å; I613-L660 HydrophobicContact CB-CD1 4.33Å; I613-L660 HydrophobicContact CB-CD2 4.2Å; I613-L660 HydrophobicContact CD1-CD2 3.75Å; I613-L660 HydrophobicContact CG2-CD1 3.85Å; I613-L660 HydrophobicContact CG2-CD2 4.13Å; I613-L660 HydrophobicContact CG2-CG 3.97Å
614	L	91.9	Very high	91.6	Very high	40 Å²	40	74.4 Å²	74.4	21%	0.209	38%	0.379	C	S	.	.	H	α-helix	trans	-62.6	-41.7	179.2	-70.2	173.5	0	0	0	112.4	Y595 V610 C611 F612 K656 I657 L660	Y595-L614 HydrophobicContact CD2-CD1 4.43Å; Y595-L614 HydrophobicContact CE2-CD1 3.71Å; Y595-L614 HydrophobicContact CE2-CD2 4.29Å; V610-L614 HydrophobicContact CG1-CD1 4Å; V610-L614 HydrophobicContact CG1-CG 4.42Å; V610-L614 VanDerWaalsContact O-CG 3.31Å; V610-L614 WeakPolarHBondContact O-CG 3.45Å; V610-L614 PolarHBondContact O-N 3.45Å; C611-L614 PolarHBondContact O-N 2.83Å; F612-L614 VanDerWaalsContact C-N 3.32Å; F612-L614 PolarHBondContact O-N 2.7Å; L614-K656 PolarHBondContact O-NZ 3.12Å; L614-I657 HydrophobicContact CD2-CD1 3.32Å; L614-L660 HydrophobicContact CD2-CD1 3.66Å; L614-L660 HydrophobicContact CG-CD1 3.89Å
615	N	92.9	Very high	91.9	Very high	115 Å²	115	67.6 Å²	67.6	62%	0.615	35%	0.347	S	S	*	.	H	α-helix	trans	-97.3	-9.7	-169.5	-63.3	-23.1	0	0	0	114.7	C611 F612 I613	C611-N615 VanDerWaalsContact O-CB 3.32Å; C611-N615 WeakPolarHBondContact O-CB 3.36Å; C611-N615 VanDerWaalsContact O-CG 3.3Å; C611-N615 PolarHBondContact O-N 2.78Å; C611-N615 PolarHBondContact O-ND2 3.43Å; F612-N615 PolarHBondContact O-N 3Å; I613-N615 PolarHBondContact O-N 2.92Å
616	N	92.8	Very high	92	Very high	67 Å²	67	66.9 Å²	66.9	36%	0.358	35%	0.345	S	S	.	.	S	Bend	trans	-110	159.6	-179.9	-65.6	-85.4	0	0	0	112.3	F612 M621 K656	F612-N616 WeakPolarHBondContact CD2-ND2 3.43Å; F612-N616 WeakPolarHBondContact CE2-ND2 3.39Å; F612-N616 WeakPolarHBondContact O-CB 3.46Å; F612-N616 PolarHBondContact O-N 3.04Å; F612-N616 PolarHBondContact O-ND2 3.5Å; N616-M621 HydrophobicContact CB-CE 4.28Å; N616-K656 PolarHBondContact O-NZ 3.22Å
617	D	91	Very high	92	Very high	99 Å²	99	65.7 Å²	65.7	53%	0.529	34%	0.341	S	S	.	.			trans	-75.2	129.6	170.2	-167.8	-28.3	0	0	0	109.7	S619 N653	D617-S619 VanDerWaalsContact OD1-CB 3.26Å; D617-S619 WeakPolarHBondContact OD1-CB 3.42Å; D617-S619 PolarHBondContact OD1-N 2.84Å; D617-S619 PolarHBondContact OD1-OG 3.46Å; D617-N653 WeakPolarHBondContact CA-OD1 3.26Å; D617-N653 VanDerWaalsContact CG-ND2 3.28Å; D617-N653 PolarHBondContact OD1-ND2 3.39Å
618	M	89.7	Confident	92	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	33%	0.332	C	S	.	.			trans	-89.4	-3.3	-179	-55.1	-58	-52.8	0	0	114.1	I613 E620 M621 L623 V651 N653 K656	I613-M618 HydrophobicContact CB-SD 4.22Å; I613-M618 HydrophobicContact CG1-CE 4.2Å; I613-M618 HydrophobicContact CG1-SD 4.23Å; I613-M618 HydrophobicContact CG2-CE 4.4Å; I613-M618 HydrophobicContact CG2-SD 3.86Å; M618-E620 VanDerWaalsContact C-N 3.28Å; M618-E620 PolarHBondContact O-N 2.91Å; M618-M621 HydrophobicContact CE-CB 3.96Å; M618-M621 HydrophobicContact CE-CE 3.41Å; M618-M621 VanDerWaalsContact CE-CE 3.41Å; M618-M621 HydrophobicContact CE-CG 4.28Å; M618-M621 HydrophobicContact CE-SD 3.36Å; M618-M621 WeakPolarHBondContact CE-SD 3.28Å; M618-M621 PolarHBondContact O-N 2.93Å; M618-M621 HydrophobicContact SD-CE 3.24Å; M618-M621 WeakPolarHBondContact SD-CE 3.45Å; M618-M621 HydrophobicContact SD-SD 4.06Å; M618-L623 HydrophobicContact CE-CB 4.23Å; M618-L623 HydrophobicContact CE-CD2 3.76Å; M618-V651 HydrophobicContact CE-CB 4.29Å; M618-V651 HydrophobicContact CE-CG1 3.9Å; M618-V651 HydrophobicContact CG-CG1 4.28Å; M618-N653 PolarHBondContact N-OD1 3.36Å; M618-K656 HydrophobicContact CG-CB 4.1Å; M618-K656 HydrophobicContact CG-CD 3.85Å
619	S	86.1	Confident	91.9	Very high	92 Å²	92	62.5 Å²	62.5	64%	0.643	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.6	-171.7	-54.1	0	0	0	0	113.7	D617	D617-S619 VanDerWaalsContact OD1-CB 3.26Å; D617-S619 WeakPolarHBondContact OD1-CB 3.42Å; D617-S619 PolarHBondContact OD1-N 2.84Å; D617-S619 PolarHBondContact OD1-OG 3.46Å
620	E	83.2	Confident	91.6	Very high	197 Å²	197	66.7 Å²	66.7	92%	0.921	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	4.6	179.2	-62	-175.3	172.3	0	0	113.3	M618	M618-E620 VanDerWaalsContact C-N 3.28Å; M618-E620 PolarHBondContact O-N 2.91Å
621	M	84.3	Confident	91.2	Very high	54 Å²	54	69.2 Å²	69.2	27%	0.266	35%	0.348	S	S	.	.			trans	-92.7	131.9	179.9	-95.2	-169	-100.9	0	0	112.2	F612 N616 M618 L623	F612-M621 HydrophobicContact CD1-CE 4.12Å; F612-M621 HydrophobicContact CD1-SD 4.39Å; F612-M621 HydrophobicContact CE1-CE 3.41Å; F612-M621 VanDerWaalsContact CE1-CE 3.41Å; F612-M621 HydrophobicContact CE1-SD 3.65Å; F612-M621 HydrophobicContact CZ-CE 4.14Å; N616-M621 HydrophobicContact CB-CE 4.28Å; M618-M621 HydrophobicContact CE-CB 3.96Å; M618-M621 HydrophobicContact CE-CE 3.41Å; M618-M621 VanDerWaalsContact CE-CE 3.41Å; M618-M621 HydrophobicContact CE-CG 4.28Å; M618-M621 HydrophobicContact CE-SD 3.36Å; M618-M621 WeakPolarHBondContact CE-SD 3.28Å; M618-M621 PolarHBondContact O-N 2.93Å; M618-M621 HydrophobicContact SD-CE 3.24Å; M618-M621 WeakPolarHBondContact SD-CE 3.45Å; M618-M621 HydrophobicContact SD-SD 4.06Å; M621-L623 HydrophobicContact CB-CB 4.45Å; M621-L623 PolarHBondContact O-N 3.15Å
622	E	88.1	Confident	90.8	Very high	201 Å²	201	78.6 Å²	78.6	94%	0.939	39%	0.385	S	S	*	.			trans	-79.7	38.1	171.9	-60.5	-174.8	165.2	0	0	112.4
623	L	94.1	Very high	90.7	Very high	38 Å²	38	77.9 Å²	77.9	20%	0.199	39%	0.392	C	S	.	.			trans	-88.9	130.3	178.4	-169.3	67.4	0	0	0	109.8	I613 M618 M621 V651 Y659	I613-L623 HydrophobicContact CD1-CD2 3.71Å; I613-L623 HydrophobicContact CG1-CD2 4.25Å; M618-L623 HydrophobicContact CE-CB 4.23Å; M618-L623 HydrophobicContact CE-CD2 3.76Å; M621-L623 HydrophobicContact CB-CB 4.45Å; M621-L623 PolarHBondContact O-N 3.15Å; L623-V651 HydrophobicContact CB-CB 4.14Å; L623-V651 HydrophobicContact CB-CG2 4.14Å; L623-V651 HydrophobicContact CD2-CB 4.13Å; L623-V651 HydrophobicContact CD2-CG1 4.31Å; L623-V651 HydrophobicContact CD2-CG2 3.9Å; L623-V651 HydrophobicContact CG-CB 4.21Å; L623-V651 HydrophobicContact CG-CG2 3.76Å; L623-V651 PolarHBondContact O-N 3.16Å; L623-Y659 HydrophobicContact CD2-CD1 4.18Å; L623-Y659 HydrophobicContact CD2-CE1 3.65Å; L623-Y659 HydrophobicContact CD2-CE2 4.49Å; L623-Y659 HydrophobicContact CG-CE1 4.41Å; L623-Y659 HydrophobicContact CG-CE2 4.45Å
624	V	96.2	Very high	90.4	Very high	49 Å²	49	80.2 Å²	80.2	30%	0.297	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-118.2	167.7	177.1	-64	0	0	0	0	111.3	A626 T649 Y659	V624-A626 HydrophobicContact CG2-CB 4.11Å; V624-A626 PolarHBondContact O-N 3.48Å; V624-T649 CarbonylContact C-O 3.52Å; V624-T649 VanDerWaalsContact CA-O 3.26Å; V624-T649 WeakPolarHBondContact CA-O 3.2Å; V624-T649 WeakPolarHBondContact CB-O 3.43Å; V624-Y659 VanDerWaalsContact O-CE2 3.23Å; V624-Y659 WeakPolarHBondContact O-CE2 3.41Å
625	F	96.2	Very high	90.4	Very high	2 Å²	2	84.4 Å²	84.4	1%	0.009	44%	0.436	C	S	.	.	S	Bend	trans	-74.5	47.8	176	-79	-112.3	0	0	0	112.6	L642 M643 G646 T649 V651 N655 F658 Y659 L662	F625-L642 WeakPolarHBondContact O-CB 3.48Å; F625-L642 PolarHBondContact O-N 2.84Å; F625-M643 HydrophobicContact CB-CG 3.91Å; F625-M643 HydrophobicContact CB-SD 4.16Å; F625-M643 HydrophobicContact CD1-CG 4.03Å; F625-M643 HydrophobicContact CD1-SD 3.48Å; F625-M643 WeakPolarHBondContact CD1-SD 3.34Å; F625-M643 HydrophobicContact CE1-SD 4.01Å; F625-M643 HydrophobicContact CG-CG 4.29Å; F625-M643 HydrophobicContact CG-SD 3.92Å; F625-G646 CarbonylContact C-O 3.58Å; F625-G646 WeakPolarHBondContact CA-O 3.33Å; F625-G646 WeakPolarHBondContact CB-O 3.49Å; F625-G646 PolarHBondContact N-O 3.14Å; F625-G646 CarbonylContact O-C 3.57Å; F625-G646 VanDerWaalsContact O-CA 3.29Å; F625-G646 WeakPolarHBondContact O-CA 3.4Å; F625-T649 HydrophobicContact CD2-CG2 3.7Å; F625-T649 WeakPolarHBondContact CD2-O 3.47Å; F625-T649 HydrophobicContact CE2-CG2 4.01Å; F625-T649 HydrophobicContact CG-CG2 4.26Å; F625-T649 PolarHBondContact N-O 3.02Å; F625-V651 HydrophobicContact CD2-CG2 3.84Å; F625-V651 HydrophobicContact CE2-CB 4.45Å; F625-V651 HydrophobicContact CE2-CG2 3.83Å; F625-N655 HydrophobicContact CE2-CB 4.44Å; F625-N655 WeakPolarHBondContact CE2-ND2 3.18Å; F625-N655 HydrophobicContact CZ-CB 4.01Å; F625-F658 AromaticContact CE1-CD1 3.49Å; F625-F658 HydrophobicContact CE1-CD1 3.49Å; F625-F658 VanDerWaalsContact CE1-CD1 3.49Å; F625-F658 AromaticContact CE1-CE1 3.99Å; F625-F658 HydrophobicContact CE1-CE1 3.99Å; F625-F658 HydrophobicContact CE1-CG 4.34Å; F625-F658 HydrophobicContact CZ-CD1 4.02Å; F625-Y659 HydrophobicContact CD1-CD2 4.19Å; F625-Y659 HydrophobicContact CD2-CD2 4.31Å; F625-Y659 VanDerWaalsContact CE1-CA 3.45Å; F625-Y659 HydrophobicContact CE1-CD2 4.48Å; F625-Y659 HydrophobicContact CG-CD2 4.11Å; F625-L662 HydrophobicContact CD1-CD1 3.72Å; F625-L662 HydrophobicContact CE1-CD1 3.93Å
626	A	95.9	Very high	90.4	Very high	8 Å²	8	83.2 Å²	83.2	7%	0.066	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151	173.3	0	0	0	0	0	110.1	V624 V639 V640 A647	V624-A626 HydrophobicContact CG2-CB 4.11Å; V624-A626 PolarHBondContact O-N 3.48Å; A626-V639 HydrophobicContact CB-CG1 3.7Å; A626-V640 CarbonylContact C-O 3.59Å; A626-V640 VanDerWaalsContact CA-O 3.29Å; A626-V640 WeakPolarHBondContact CA-O 3.43Å; A626-A647 HydrophobicContact CB-CB 4.37Å
627	E	94.2	Very high	90.3	Very high	10 Å²	10	85.4 Å²	85.4	5%	0.047	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127	175.3	-170.8	70.4	169.9	0	0	110.1	K609 V640 L642 L663 Y666 R667	K609-E627 IonicContact NZ-OE1 3.89Å; K609-E627 PolarHBondContact NZ-OE1 3.35Å; K609-E627 IonicContact NZ-OE2 3.16Å; K609-E627 PolarHBondContact NZ-OE2 3.35Å; E627-V640 PolarHBondContact N-O 3.12Å; E627-V640 PolarHBondContact O-N 2.93Å; E627-L642 HydrophobicContact CB-CD2 4.23Å; E627-L663 HydrophobicContact CB-CD1 4.41Å; E627-L663 HydrophobicContact CG-CD1 4.16Å; E627-L663 WeakPolarHBondContact OE2-CD1 3.47Å; E627-Y666 HydrophobicContact CB-CD1 4.31Å; E627-Y666 HydrophobicContact CB-CE1 4.22Å; E627-Y666 HydrophobicContact CG-CD1 4.45Å; E627-Y666 HydrophobicContact CG-CE1 4.24Å; E627-R667 IonicContact OE1-CZ 3.28Å; E627-R667 IonicContact OE1-NE 2.75Å; E627-R667 PolarHBondContact OE1-NE 3.28Å; E627-R667 IonicContact OE1-NH2 3.56Å; E627-R667 PolarHBondContact OE1-NH2 3.21Å
628	E	92.1	Very high	90.4	Very high	96 Å²	96	86.7 Å²	86.7	45%	0.449	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.6	175.5	-65.3	-177.4	164.9	0	0	110.5	Y630 L636 V639	E628-Y630 HydrophobicContact CB-CD2 4.4Å; E628-Y630 HydrophobicContact CB-CE2 3.62Å; E628-Y630 PolarHBondContact OE2-OH 2.85Å; E628-L636 HydrophobicContact CB-CD1 3.65Å; E628-L636 HydrophobicContact CG-CD1 3.96Å; E628-V639 HydrophobicContact CG-CG2 4.38Å
629	K	89.3	Confident	90.6	Very high	63 Å²	63	89.9 Å²	89.9	27%	0.274	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.9	172.7	-76.6	-169.5	149	-178.5	0	109.7	D637 K638 V640 Y666	K629-D637 WeakPolarHBondContact O-CA 3.47Å; K629-D637 WeakPolarHBondContact O-CB 3.31Å; K629-D637 PolarHBondContact O-N 2.98Å; K629-K638 HydrophobicContact CB-CB 4.47Å; K629-K638 WeakPolarHBondContact CB-O 3.22Å; K629-K638 PolarHBondContact N-O 2.94Å; K629-K638 PolarHBondContact O-N 3.49Å; K629-V640 HydrophobicContact CD-CG2 4.42Å; K629-Y666 WeakPolarHBondContact CD-OH 3.32Å; K629-Y666 WeakPolarHBondContact CE-OH 3.35Å; K629-Y666 PolarHBondContact NZ-OH 3.41Å; K629-Y666 VanDerWaalsContact NZ-OH 3.08Å
630	Y	88.7	Confident	91	Very high	134 Å²	134	86.7 Å²	86.7	53%	0.525	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.7	177	-65.1	-95.4	0	0	0	109.8	E628 G634 Q635 L636	E628-Y630 HydrophobicContact CB-CD2 4.4Å; E628-Y630 HydrophobicContact CB-CE2 3.62Å; E628-Y630 PolarHBondContact OE2-OH 2.85Å; Y630-G634 WeakPolarHBondContact CD1-O 3.28Å; Y630-Q635 CarbonylContact C-O 3.59Å; Y630-Q635 VanDerWaalsContact CA-O 3.3Å; Y630-Q635 WeakPolarHBondContact CA-O 3.42Å; Y630-L636 HydrophobicContact CE1-CB 4.29Å; Y630-L636 HydrophobicContact CE1-CD1 4.44Å
631	N	87.1	Confident	91.6	Very high	54 Å²	54	81.6 Å²	81.6	29%	0.289	41%	0.414	S	S	.	.			trans	-80.1	178.7	175.1	66.3	16.8	0	0	0	111.5	S633 G634 Q635 D637	N631-S633 PolarHBondContact ND2-OG 3.04Å; N631-S633 PolarHBondContact O-N 3.43Å; N631-S633 VanDerWaalsContact O-N 3.15Å; N631-S633 PolarHBondContact OD1-N 3.32Å; N631-S633 VanDerWaalsContact OD1-N 3.08Å; N631-S633 PolarHBondContact OD1-OG 3.46Å; N631-G634 PolarHBondContact O-N 3.25Å; N631-G634 PolarHBondContact OD1-N 3.45Å; N631-G634 VanDerWaalsContact OD1-N 3.17Å; N631-Q635 PolarHBondContact N-O 3.38Å; N631-Q635 PolarHBondContact OD1-N 2.81Å; N631-Q635 PolarHBondContact OD1-O 2.88Å; N631-D637 HydrophobicContact CB-CB 4.16Å
632	K	84.9	Confident	92	Very high	228 Å²	228	80.1 Å²	80.1	99%	0.991	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.3	179.8	-64.8	-174.1	179.3	-176.6	0	114.4	G634	K632-G634 VanDerWaalsContact C-N 3.35Å
633	S	90.5	Very high	92	Very high	84 Å²	84	73.7 Å²	73.7	59%	0.587	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	3.7	173.8	53.1	0	0	0	0	113.2	N631 Q635	N631-S633 PolarHBondContact ND2-OG 3.04Å; N631-S633 PolarHBondContact O-N 3.43Å; N631-S633 VanDerWaalsContact O-N 3.15Å; N631-S633 PolarHBondContact OD1-N 3.32Å; N631-S633 VanDerWaalsContact OD1-N 3.08Å; N631-S633 PolarHBondContact OD1-OG 3.46Å; S633-Q635 VanDerWaalsContact C-N 3.3Å; S633-Q635 PolarHBondContact O-N 3.28Å
634	G	89.6	Confident	91.6	Very high	53 Å²	53	78.5 Å²	78.5	55%	0.546	41%	0.409	S	S	.	.	S	Bend	trans	77.4	11.4	-179.7	0	0	0	0	0	114.2	Y630 N631 K632	Y630-G634 WeakPolarHBondContact CD1-O 3.28Å; N631-G634 PolarHBondContact O-N 3.25Å; N631-G634 PolarHBondContact OD1-N 3.45Å; N631-G634 VanDerWaalsContact OD1-N 3.17Å; K632-G634 VanDerWaalsContact C-N 3.35Å
635	Q	91.9	Very high	91.4	Very high	127 Å²	127	77.7 Å²	77.7	59%	0.593	41%	0.41	S	S	*	.			trans	-86.8	144.2	175.2	-62.1	171.6	-18.9	0	0	110.2	Y630 N631 S633 D637	Y630-Q635 CarbonylContact C-O 3.59Å; Y630-Q635 VanDerWaalsContact CA-O 3.3Å; Y630-Q635 WeakPolarHBondContact CA-O 3.42Å; N631-Q635 PolarHBondContact N-O 3.38Å; N631-Q635 PolarHBondContact OD1-N 2.81Å; N631-Q635 PolarHBondContact OD1-O 2.88Å; S633-Q635 VanDerWaalsContact C-N 3.3Å; S633-Q635 PolarHBondContact O-N 3.28Å; Q635-D637 PolarHBondContact O-N 3.47Å
636	L	91.9	Very high	91.3	Very high	91 Å²	91	77.6 Å²	77.6	48%	0.476	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	111.2	172.9	-177.9	67.8	0	0	0	109.3	E628 Y630 V639	E628-L636 HydrophobicContact CB-CD1 3.65Å; E628-L636 HydrophobicContact CG-CD1 3.96Å; Y630-L636 HydrophobicContact CE1-CB 4.29Å; Y630-L636 HydrophobicContact CE1-CD1 4.44Å; L636-V639 HydrophobicContact CD1-CG2 4.27Å; L636-V639 HydrophobicContact CD2-CG2 4.03Å
637	D	91.7	Very high	91.2	Very high	113 Å²	113	78.6 Å²	78.6	60%	0.604	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	-46.7	179.9	-175.5	47.7	0	0	0	110.5	K629 N631 Q635	K629-D637 WeakPolarHBondContact O-CA 3.47Å; K629-D637 WeakPolarHBondContact O-CB 3.31Å; K629-D637 PolarHBondContact O-N 2.98Å; N631-D637 HydrophobicContact CB-CB 4.16Å; Q635-D637 PolarHBondContact O-N 3.47Å
638	K	92.4	Very high	91.2	Very high	126 Å²	126	86 Å²	86	55%	0.548	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	142.2	-175.8	-172.6	174.3	-178.4	178.2	0	112.1	K629 V640	K629-K638 HydrophobicContact CB-CB 4.47Å; K629-K638 WeakPolarHBondContact CB-O 3.22Å; K629-K638 PolarHBondContact N-O 2.94Å; K629-K638 PolarHBondContact O-N 3.49Å; K638-V640 HydrophobicContact CD-CG2 4.01Å; K638-V640 HydrophobicContact CG-CG2 4.04Å
639	V	93.7	Very high	91.3	Very high	67 Å²	67	83.4 Å²	83.4	41%	0.406	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.1	164	-176.7	0	0	0	0	108.5	A626 E628 L636	A626-V639 HydrophobicContact CB-CG1 3.7Å; E628-V639 HydrophobicContact CG-CG2 4.38Å; L636-V639 HydrophobicContact CD1-CG2 4.27Å; L636-V639 HydrophobicContact CD2-CG2 4.03Å
640	V	94.5	Very high	91.6	Very high	25 Å²	25	84 Å²	84	15%	0.152	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	108.7	178.4	-177	0	0	0	0	109.2	A626 E627 K629 K638 L642 Y666	A626-V640 CarbonylContact C-O 3.59Å; A626-V640 VanDerWaalsContact CA-O 3.29Å; A626-V640 WeakPolarHBondContact CA-O 3.43Å; E627-V640 PolarHBondContact N-O 3.12Å; E627-V640 PolarHBondContact O-N 2.93Å; K629-V640 HydrophobicContact CD-CG2 4.42Å; K638-V640 HydrophobicContact CD-CG2 4.01Å; K638-V640 HydrophobicContact CG-CG2 4.04Å; V640-L642 PolarHBondContact O-N 2.86Å; V640-Y666 HydrophobicContact CB-CE2 4.34Å; V640-Y666 HydrophobicContact CG1-CD2 4.21Å; V640-Y666 HydrophobicContact CG1-CE2 3.61Å; V640-Y666 WeakPolarHBondContact CG2-OH 3.19Å
641	E	96.7	Very high	91.9	Very high	90 Å²	90	77.7 Å²	77.7	42%	0.421	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	127.7	172.8	-57.3	-165	167	0	0	110.3	M643 G645 G646 A647	E641-M643 VanDerWaalsContact C-N 3.3Å; E641-M643 WeakPolarHBondContact CB-O 3.44Å; E641-G645 WeakPolarHBondContact OE2-CA 3.15Å; E641-G645 PolarHBondContact OE2-N 3.34Å; E641-G646 PolarHBondContact OE2-N 3.32Å; E641-A647 HydrophobicContact CG-CB 4.09Å; E641-A647 VanDerWaalsContact OE1-CB 3.26Å; E641-A647 WeakPolarHBondContact OE1-CB 3.24Å
642	L	92.6	Very high	92.2	Very high	24 Å²	24	77.8 Å²	77.8	13%	0.126	43%	0.432	C	S	.	.	S	Bend	trans	-79	-19.1	-179.4	-61.7	178.1	0	0	0	112.3	F625 E627 V640 Y659 L662 L663 Y666	F625-L642 WeakPolarHBondContact O-CB 3.48Å; F625-L642 PolarHBondContact O-N 2.84Å; E627-L642 HydrophobicContact CB-CD2 4.23Å; V640-L642 PolarHBondContact O-N 2.86Å; L642-Y659 HydrophobicContact CD1-CD2 3.97Å; L642-Y659 HydrophobicContact CD1-CE2 3.61Å; L642-L662 HydrophobicContact CB-CB 4.02Å; L642-L662 HydrophobicContact CB-CD1 4.49Å; L642-L662 HydrophobicContact CD1-CB 4.46Å; L642-L663 HydrophobicContact CD1-CB 4.14Å; L642-L663 HydrophobicContact CD1-CD1 4.38Å; L642-Y666 HydrophobicContact CD2-CD1 4.01Å; L642-Y666 HydrophobicContact CD2-CG 3.8Å
643	M	88.1	Confident	92.5	Very high	66 Å²	66	70.1 Å²	70.1	33%	0.325	40%	0.402	S	S	.	.	S	Bend	trans	-148.1	163.8	173	59.6	178.4	-78.2	0	0	109.2	F625 E641 G645 G646 F658 L662	F625-M643 HydrophobicContact CB-CG 3.91Å; F625-M643 HydrophobicContact CB-SD 4.16Å; F625-M643 HydrophobicContact CD1-CG 4.03Å; F625-M643 HydrophobicContact CD1-SD 3.48Å; F625-M643 WeakPolarHBondContact CD1-SD 3.34Å; F625-M643 HydrophobicContact CE1-SD 4.01Å; F625-M643 HydrophobicContact CG-CG 4.29Å; F625-M643 HydrophobicContact CG-SD 3.92Å; E641-M643 VanDerWaalsContact C-N 3.3Å; E641-M643 WeakPolarHBondContact CB-O 3.44Å; M643-G645 PolarHBondContact O-N 2.94Å; M643-G646 WeakPolarHBondContact O-CA 3.22Å; M643-G646 PolarHBondContact O-N 2.97Å; M643-F658 HydrophobicContact SD-CE1 3.99Å; M643-L662 HydrophobicContact CB-CD1 4.07Å; M643-L662 HydrophobicContact CG-CD1 4.31Å; M643-L662 HydrophobicContact SD-CD1 4.23Å
644	T	85.5	Confident	92.3	Very high	139 Å²	139	71 Å²	71	85%	0.853	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	123.5	176	-52.1	0	0	0	0	111.2	G646	T644-G646 PolarHBondContact O-N 3.13Å
645	G	92.2	Very high	92.2	Very high	31 Å²	31	70.3 Å²	70.3	32%	0.32	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	18.1	-177	0	0	0	0	0	112.7	E641 M643 A647 Q648 T649	E641-G645 WeakPolarHBondContact OE2-CA 3.15Å; E641-G645 PolarHBondContact OE2-N 3.34Å; M643-G645 PolarHBondContact O-N 2.94Å; G645-A647 VanDerWaalsContact C-N 3.28Å; G645-A647 PolarHBondContact O-N 3.22Å; G645-Q648 PolarHBondContact O-N 2.98Å; G645-T649 PolarHBondContact O-N 3.31Å; G645-T649 PolarHBondContact O-OG1 3.05Å
646	G	93.3	Very high	92.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-63	-33.1	-174.2	0	0	0	0	0	112.9	F625 E641 M643 T644 Q648 T649	F625-G646 CarbonylContact C-O 3.58Å; F625-G646 WeakPolarHBondContact CA-O 3.33Å; F625-G646 WeakPolarHBondContact CB-O 3.49Å; F625-G646 PolarHBondContact N-O 3.14Å; F625-G646 CarbonylContact O-C 3.57Å; F625-G646 VanDerWaalsContact O-CA 3.29Å; F625-G646 WeakPolarHBondContact O-CA 3.4Å; E641-G646 PolarHBondContact OE2-N 3.32Å; M643-G646 WeakPolarHBondContact O-CA 3.22Å; M643-G646 PolarHBondContact O-N 2.97Å; T644-G646 PolarHBondContact O-N 3.13Å; G646-Q648 PolarHBondContact O-N 3.08Å; G646-T649 PolarHBondContact O-N 3.32Å; G646-T649 VanDerWaalsContact O-N 3.12Å
647	A	93.8	Very high	92.1	Very high	30 Å²	30	63.9 Å²	63.9	25%	0.248	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-65.1	-18.2	175.8	0	0	0	0	0	113.6	A626 E641 G645	A626-A647 HydrophobicContact CB-CB 4.37Å; E641-A647 HydrophobicContact CG-CB 4.09Å; E641-A647 VanDerWaalsContact OE1-CB 3.26Å; E641-A647 WeakPolarHBondContact OE1-CB 3.24Å; G645-A647 VanDerWaalsContact C-N 3.28Å; G645-A647 PolarHBondContact O-N 3.22Å
648	Q	94.8	Very high	91.8	Very high	165 Å²	165	64 Å²	64	77%	0.771	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-106.6	2.6	177.5	-56.8	-58	-24.8	0	0	112.8	G645 G646 P650	G645-Q648 PolarHBondContact O-N 2.98Å; G646-Q648 PolarHBondContact O-N 3.08Å; Q648-P650 WeakPolarHBondContact O-CD 3.44Å
649	T	94.3	Very high	91.9	Very high	42 Å²	42	58 Å²	58	26%	0.258	34%	0.335	S	S	.	.			trans	-104.1	110.4	-179.2	-56.2	0	0	0	0	108.4	V624 F625 G645 G646	V624-T649 CarbonylContact C-O 3.52Å; V624-T649 VanDerWaalsContact CA-O 3.26Å; V624-T649 WeakPolarHBondContact CA-O 3.2Å; V624-T649 WeakPolarHBondContact CB-O 3.43Å; F625-T649 HydrophobicContact CD2-CG2 3.7Å; F625-T649 WeakPolarHBondContact CD2-O 3.47Å; F625-T649 HydrophobicContact CE2-CG2 4.01Å; F625-T649 HydrophobicContact CG-CG2 4.26Å; F625-T649 PolarHBondContact N-O 3.02Å; G645-T649 PolarHBondContact O-N 3.31Å; G645-T649 PolarHBondContact O-OG1 3.05Å; G646-T649 PolarHBondContact O-N 3.32Å; G646-T649 VanDerWaalsContact O-N 3.12Å
650	P	95.6	Very high	91.9	Very high	75 Å²	75	54.8 Å²	54.8	49%	0.487	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-72.7	147.3	177.3	28.7	-33.6	0	0	0	111.6	Q648 N655	Q648-P650 WeakPolarHBondContact O-CD 3.44Å; P650-N655 PolarHBondContact O-ND2 3.31Å
651	V	94.9	Very high	91.7	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	32%	0.316	C	S	.	.			trans	-79.3	123.1	170	-176	0	0	0	0	108.5	M618 L623 F625 N655 K656 Y659	M618-V651 HydrophobicContact CE-CB 4.29Å; M618-V651 HydrophobicContact CE-CG1 3.9Å; M618-V651 HydrophobicContact CG-CG1 4.28Å; L623-V651 HydrophobicContact CB-CB 4.14Å; L623-V651 HydrophobicContact CB-CG2 4.14Å; L623-V651 HydrophobicContact CD2-CB 4.13Å; L623-V651 HydrophobicContact CD2-CG1 4.31Å; L623-V651 HydrophobicContact CD2-CG2 3.9Å; L623-V651 HydrophobicContact CG-CB 4.21Å; L623-V651 HydrophobicContact CG-CG2 3.76Å; L623-V651 PolarHBondContact O-N 3.16Å; F625-V651 HydrophobicContact CD2-CG2 3.84Å; F625-V651 HydrophobicContact CE2-CB 4.45Å; F625-V651 HydrophobicContact CE2-CG2 3.83Å; V651-N655 WeakPolarHBondContact CA-OD1 3.25Å; V651-K656 HydrophobicContact CG1-CB 3.88Å; V651-Y659 HydrophobicContact CG1-CD1 4.44Å; V651-Y659 HydrophobicContact CG1-CG 4.27Å; V651-Y659 HydrophobicContact CG2-CD1 4.18Å; V651-Y659 HydrophobicContact CG2-CD2 3.49Å; V651-Y659 VanDerWaalsContact CG2-CD2 3.49Å; V651-Y659 HydrophobicContact CG2-CE2 4.02Å; V651-Y659 HydrophobicContact CG2-CG 3.58Å
652	T	93.1	Very high	91.5	Very high	55 Å²	55	52.3 Å²	52.3	34%	0.337	31%	0.305	S	S	.	.			trans	-121.3	164.8	-179.7	65.3	0	0	0	0	109.4	A654 N655 K656	T652-A654 PolarHBondContact O-N 3.44Å; T652-A654 VanDerWaalsContact O-N 3.12Å; T652-N655 PolarHBondContact N-OD1 3.39Å; T652-N655 PolarHBondContact O-N 3.48Å; T652-N655 PolarHBondContact O-OD1 3.05Å; T652-N655 VanDerWaalsContact O-OD1 3.12Å; T652-N655 VanDerWaalsContact OG1-CG 3.24Å; T652-N655 PolarHBondContact OG1-N 2.99Å; T652-N655 PolarHBondContact OG1-ND2 2.88Å; T652-N655 PolarHBondContact OG1-OD1 3.46Å; T652-K656 WeakPolarHBondContact O-CB 3.45Å; T652-K656 PolarHBondContact O-N 2.59Å
653	N	90.7	Very high	91.6	Very high	68 Å²	68	51.2 Å²	51.2	36%	0.364	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.8	176	-68.5	-37.5	0	0	0	113.3	D617 M618	D617-N653 WeakPolarHBondContact CA-OD1 3.26Å; D617-N653 VanDerWaalsContact CG-ND2 3.28Å; D617-N653 PolarHBondContact OD1-ND2 3.39Å; M618-N653 PolarHBondContact N-OD1 3.36Å
654	A	86.4	Confident	91.9	Very high	103 Å²	103	48 Å²	48	85%	0.851	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-26.5	179.8	0	0	0	0	0	113.5	T652	T652-A654 PolarHBondContact O-N 3.44Å; T652-A654 VanDerWaalsContact O-N 3.12Å
655	N	88.5	Confident	92.2	Very high	38 Å²	38	44.5 Å²	44.5	20%	0.203	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-1.7	-174.4	74.8	17.9	0	0	0	114.1	F625 P650 V651 T652 I657 F658 Y659	F625-N655 HydrophobicContact CE2-CB 4.44Å; F625-N655 WeakPolarHBondContact CE2-ND2 3.18Å; F625-N655 HydrophobicContact CZ-CB 4.01Å; P650-N655 PolarHBondContact O-ND2 3.31Å; V651-N655 WeakPolarHBondContact CA-OD1 3.25Å; T652-N655 PolarHBondContact N-OD1 3.39Å; T652-N655 PolarHBondContact O-N 3.48Å; T652-N655 PolarHBondContact O-OD1 3.05Å; T652-N655 VanDerWaalsContact O-OD1 3.12Å; T652-N655 VanDerWaalsContact OG1-CG 3.24Å; T652-N655 PolarHBondContact OG1-N 2.99Å; T652-N655 PolarHBondContact OG1-ND2 2.88Å; T652-N655 PolarHBondContact OG1-OD1 3.46Å; N655-I657 VanDerWaalsContact C-N 3.32Å; N655-I657 PolarHBondContact O-N 3.47Å; N655-F658 WeakPolarHBondContact O-CA 3.44Å; N655-F658 WeakPolarHBondContact O-CB 3.33Å; N655-F658 PolarHBondContact O-N 3.09Å; N655-Y659 PolarHBondContact O-N 3.32Å
656	K	92.2	Very high	92.3	Very high	30 Å²	30	44.4 Å²	44.4	13%	0.13	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-35.9	-174.7	68.9	-176.6	-171.6	172.5	0	115	I613 L614 N616 M618 V651 T652 F658 Y659 L660	I613-K656 HydrophobicContact CG2-CB 3.82Å; I613-K656 HydrophobicContact CG2-CD 4.25Å; I613-K656 HydrophobicContact CG2-CG 4.4Å; I613-K656 VanDerWaalsContact O-CD 3.32Å; I613-K656 WeakPolarHBondContact O-CD 3.1Å; I613-K656 WeakPolarHBondContact O-CE 3.46Å; I613-K656 PolarHBondContact O-NZ 3.16Å; L614-K656 PolarHBondContact O-NZ 3.12Å; N616-K656 PolarHBondContact O-NZ 3.22Å; M618-K656 HydrophobicContact CG-CB 4.1Å; M618-K656 HydrophobicContact CG-CD 3.85Å; V651-K656 HydrophobicContact CG1-CB 3.88Å; T652-K656 WeakPolarHBondContact O-CB 3.45Å; T652-K656 PolarHBondContact O-N 2.59Å; K656-F658 VanDerWaalsContact C-N 3.33Å; K656-Y659 WeakPolarHBondContact O-CB 3.41Å; K656-Y659 PolarHBondContact O-N 3.37Å; K656-L660 WeakPolarHBondContact O-CG 3.2Å; K656-L660 PolarHBondContact O-N 3.04Å
657	I	89	Confident	92.4	Very high	53 Å²	53	48.1 Å²	48.1	27%	0.272	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-40.6	174.5	-61.2	-57.9	0	0	0	111.2	Y595 L614 N655 L660 N661	Y595-I657 HydrophobicContact CE1-CD1 4.06Å; Y595-I657 HydrophobicContact CE1-CG2 4.15Å; L614-I657 HydrophobicContact CD2-CD1 3.32Å; N655-I657 VanDerWaalsContact C-N 3.32Å; N655-I657 PolarHBondContact O-N 3.47Å; I657-L660 PolarHBondContact O-N 2.88Å; I657-N661 PolarHBondContact O-N 2.88Å
658	F	86.5	Confident	92.5	Very high	114 Å²	114	46.7 Å²	46.7	50%	0.5	25%	0.249	S	C	.	.	H	α-helix	trans	-65.9	-41.8	177	-178.2	-121	0	0	0	111.5	F625 M643 N655 K656 N661 L662	F625-F658 AromaticContact CE1-CD1 3.49Å; F625-F658 HydrophobicContact CE1-CD1 3.49Å; F625-F658 VanDerWaalsContact CE1-CD1 3.49Å; F625-F658 AromaticContact CE1-CE1 3.99Å; F625-F658 HydrophobicContact CE1-CE1 3.99Å; F625-F658 HydrophobicContact CE1-CG 4.34Å; F625-F658 HydrophobicContact CZ-CD1 4.02Å; M643-F658 HydrophobicContact SD-CE1 3.99Å; N655-F658 WeakPolarHBondContact O-CA 3.44Å; N655-F658 WeakPolarHBondContact O-CB 3.33Å; N655-F658 PolarHBondContact O-N 3.09Å; K656-F658 VanDerWaalsContact C-N 3.33Å; F658-N661 PolarHBondContact O-N 3.17Å; F658-L662 HydrophobicContact CD1-CD1 4.12Å; F658-L662 HydrophobicContact CE1-CD1 3.62Å; F658-L662 HydrophobicContact CE1-CG 4.46Å; F658-L662 HydrophobicContact CE2-CD1 4.17Å; F658-L662 HydrophobicContact CE2-CD2 4.36Å; F658-L662 HydrophobicContact CE2-CG 4.16Å; F658-L662 HydrophobicContact CZ-CD1 3.65Å; F658-L662 HydrophobicContact CZ-CD2 4.33Å; F658-L662 HydrophobicContact CZ-CG 4.12Å; F658-L662 WeakPolarHBondContact O-CG 3.4Å; F658-L662 PolarHBondContact O-N 2.81Å
659	Y	93.4	Very high	92.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-55.8	-52.6	171.3	168.5	-97.7	0	0	0	111.8	K609 I613 L623 V624 F625 L642 V651 N655 K656 N661 L662 L663	K609-Y659 WeakPolarHBondContact CE-OH 3.44Å; K609-Y659 PolarHBondContact NZ-OH 2.87Å; I613-Y659 HydrophobicContact CD1-CD1 4.17Å; I613-Y659 HydrophobicContact CD1-CE1 3.72Å; L623-Y659 HydrophobicContact CD2-CD1 4.18Å; L623-Y659 HydrophobicContact CD2-CE1 3.65Å; L623-Y659 HydrophobicContact CD2-CE2 4.49Å; L623-Y659 HydrophobicContact CG-CE1 4.41Å; L623-Y659 HydrophobicContact CG-CE2 4.45Å; V624-Y659 VanDerWaalsContact O-CE2 3.23Å; V624-Y659 WeakPolarHBondContact O-CE2 3.41Å; F625-Y659 HydrophobicContact CD1-CD2 4.19Å; F625-Y659 HydrophobicContact CD2-CD2 4.31Å; F625-Y659 VanDerWaalsContact CE1-CA 3.45Å; F625-Y659 HydrophobicContact CE1-CD2 4.48Å; F625-Y659 HydrophobicContact CG-CD2 4.11Å; L642-Y659 HydrophobicContact CD1-CD2 3.97Å; L642-Y659 HydrophobicContact CD1-CE2 3.61Å; V651-Y659 HydrophobicContact CG1-CD1 4.44Å; V651-Y659 HydrophobicContact CG1-CG 4.27Å; V651-Y659 HydrophobicContact CG2-CD1 4.18Å; V651-Y659 HydrophobicContact CG2-CD2 3.49Å; V651-Y659 VanDerWaalsContact CG2-CD2 3.49Å; V651-Y659 HydrophobicContact CG2-CE2 4.02Å; V651-Y659 HydrophobicContact CG2-CG 3.58Å; N655-Y659 PolarHBondContact O-N 3.32Å; K656-Y659 WeakPolarHBondContact O-CB 3.41Å; K656-Y659 PolarHBondContact O-N 3.37Å; Y659-N661 VanDerWaalsContact C-N 3.25Å; Y659-N661 PolarHBondContact O-N 3.28Å; Y659-L662 PolarHBondContact O-N 3.48Å; Y659-L662 VanDerWaalsContact O-N 3.17Å; Y659-L663 HydrophobicContact CE1-CD2 3.86Å; Y659-L663 WeakPolarHBondContact O-CB 3.35Å; Y659-L663 PolarHBondContact O-N 3.07Å
660	L	94.3	Very high	92.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-37.4	-178.8	-73.7	174.9	0	0	0	112.2	Y595 V610 I613 L614 K656 I657 L663 A664	Y595-L660 HydrophobicContact CD1-CB 3.71Å; Y595-L660 HydrophobicContact CD1-CD1 4.25Å; Y595-L660 HydrophobicContact CG-CB 3.87Å; Y595-L660 HydrophobicContact CG-CD1 4.3Å; V610-L660 HydrophobicContact CB-CD2 4.38Å; V610-L660 HydrophobicContact CG1-CD1 4.11Å; V610-L660 HydrophobicContact CG1-CD2 4.16Å; V610-L660 HydrophobicContact CG2-CD2 4.26Å; I613-L660 HydrophobicContact CB-CD1 4.33Å; I613-L660 HydrophobicContact CB-CD2 4.2Å; I613-L660 HydrophobicContact CD1-CD2 3.75Å; I613-L660 HydrophobicContact CG2-CD1 3.85Å; I613-L660 HydrophobicContact CG2-CD2 4.13Å; I613-L660 HydrophobicContact CG2-CG 3.97Å; L614-L660 HydrophobicContact CD2-CD1 3.66Å; L614-L660 HydrophobicContact CG-CD1 3.89Å; K656-L660 WeakPolarHBondContact O-CG 3.2Å; K656-L660 PolarHBondContact O-N 3.04Å; I657-L660 PolarHBondContact O-N 2.88Å; L660-L663 WeakPolarHBondContact O-CB 3.42Å; L660-L663 PolarHBondContact O-N 3.3Å; L660-A664 WeakPolarHBondContact O-CB 3.32Å; L660-A664 PolarHBondContact O-N 3.24Å
661	N	90.3	Very high	92.4	Very high	28 Å²	28	38.5 Å²	38.5	15%	0.15	21%	0.209	C	C	.	.	H	α-helix	trans	-71.8	-38.7	177	-76.7	-21.2	0	0	0	113.7	H594 Y595 I657 F658 Y659 L663 A664 Q665	H594-N661 PolarHBondContact CD2-ND2 2.9Å; H594-N661 PolarHBondContact CD2-OD1 3.16Å; H594-N661 PolarHBondContact NE2-ND2 2.72Å; H594-N661 PolarHBondContact NE2-OD1 3.4Å; Y595-N661 VanDerWaalsContact CD1-OD1 3.22Å; Y595-N661 WeakPolarHBondContact CD1-OD1 3.4Å; Y595-N661 PolarHBondContact N-OD1 2.97Å; Y595-N661 VanDerWaalsContact N-OD1 3.08Å; I657-N661 PolarHBondContact O-N 2.88Å; F658-N661 PolarHBondContact O-N 3.17Å; Y659-N661 VanDerWaalsContact C-N 3.25Å; Y659-N661 PolarHBondContact O-N 3.28Å; N661-L663 VanDerWaalsContact C-N 3.3Å; N661-A664 PolarHBondContact O-N 3.02Å; N661-Q665 WeakPolarHBondContact O-CB 3.07Å; N661-Q665 PolarHBondContact O-N 3.4Å
662	L	91	Very high	92.5	Very high	36 Å²	36	38.5 Å²	38.5	19%	0.188	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-37.3	171.7	-69.9	174.8	0	0	0	111.7	F625 L642 M643 F658 Y659 Q665 Y666	F625-L662 HydrophobicContact CD1-CD1 3.72Å; F625-L662 HydrophobicContact CE1-CD1 3.93Å; L642-L662 HydrophobicContact CB-CB 4.02Å; L642-L662 HydrophobicContact CB-CD1 4.49Å; L642-L662 HydrophobicContact CD1-CB 4.46Å; M643-L662 HydrophobicContact CB-CD1 4.07Å; M643-L662 HydrophobicContact CG-CD1 4.31Å; M643-L662 HydrophobicContact SD-CD1 4.23Å; F658-L662 HydrophobicContact CD1-CD1 4.12Å; F658-L662 HydrophobicContact CE1-CD1 3.62Å; F658-L662 HydrophobicContact CE1-CG 4.46Å; F658-L662 HydrophobicContact CE2-CD1 4.17Å; F658-L662 HydrophobicContact CE2-CD2 4.36Å; F658-L662 HydrophobicContact CE2-CG 4.16Å; F658-L662 HydrophobicContact CZ-CD1 3.65Å; F658-L662 HydrophobicContact CZ-CD2 4.33Å; F658-L662 HydrophobicContact CZ-CG 4.12Å; F658-L662 WeakPolarHBondContact O-CG 3.4Å; F658-L662 PolarHBondContact O-N 2.81Å; Y659-L662 PolarHBondContact O-N 3.48Å; Y659-L662 VanDerWaalsContact O-N 3.17Å; L662-Q665 PolarHBondContact O-N 2.9Å; L662-Y666 WeakPolarHBondContact O-CB 3.35Å; L662-Y666 PolarHBondContact O-N 3.42Å
663	L	95.4	Very high	92.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-43	174.8	-178.8	61.1	0	0	0	111.6	F605 K609 E627 L642 Y659 L660 N661 Y666 R667	F605-L663 HydrophobicContact CE1-CD2 4.18Å; F605-L663 HydrophobicContact CZ-CD2 3.9Å; F605-L663 HydrophobicContact CZ-CG 4.36Å; K609-L663 HydrophobicContact CD-CD2 4.32Å; E627-L663 HydrophobicContact CB-CD1 4.41Å; E627-L663 HydrophobicContact CG-CD1 4.16Å; E627-L663 WeakPolarHBondContact OE2-CD1 3.47Å; L642-L663 HydrophobicContact CD1-CB 4.14Å; L642-L663 HydrophobicContact CD1-CD1 4.38Å; Y659-L663 HydrophobicContact CE1-CD2 3.86Å; Y659-L663 WeakPolarHBondContact O-CB 3.35Å; Y659-L663 PolarHBondContact O-N 3.07Å; L660-L663 WeakPolarHBondContact O-CB 3.42Å; L660-L663 PolarHBondContact O-N 3.3Å; N661-L663 VanDerWaalsContact C-N 3.3Å; L663-Y666 PolarHBondContact O-N 2.79Å; L663-R667 HydrophobicContact CD1-CG 4.15Å; L663-R667 WeakPolarHBondContact O-CB 3.49Å; L663-R667 PolarHBondContact O-N 2.85Å
664	A	94.5	Very high	92.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-48.7	173.4	0	0	0	0	0	112.1	M593 H594 F598 L660 N661 Y666 R667 L668	M593-A664 HydrophobicContact CB-CB 4.41Å; H594-A664 WeakPolarHBondContact O-CB 3.36Å; F598-A664 HydrophobicContact CD2-CB 4.41Å; F598-A664 HydrophobicContact CE2-CB 3.66Å; F598-A664 HydrophobicContact CZ-CB 4.13Å; L660-A664 WeakPolarHBondContact O-CB 3.32Å; L660-A664 PolarHBondContact O-N 3.24Å; N661-A664 PolarHBondContact O-N 3.02Å; A664-Y666 PolarHBondContact O-N 3.07Å; A664-R667 PolarHBondContact O-N 3.21Å; A664-L668 HydrophobicContact CB-CD1 4.31Å; A664-L668 VanDerWaalsContact O-CB 3.29Å; A664-L668 WeakPolarHBondContact O-CB 3.43Å; A664-L668 PolarHBondContact O-N 3.42Å
665	Q	92.2	Very high	93.5	Very high	64 Å²	64	39 Å²	39	30%	0.299	19%	0.186	S	C	.	.	H	α-helix	trans	-55.6	-39.5	174.9	-174.9	60.7	46.7	0	0	111.8	N661 L662 A669 S670	N661-Q665 WeakPolarHBondContact O-CB 3.07Å; N661-Q665 PolarHBondContact O-N 3.4Å; L662-Q665 PolarHBondContact O-N 2.9Å; Q665-A669 WeakPolarHBondContact O-CB 3.38Å; Q665-A669 PolarHBondContact O-N 3.24Å; Q665-S670 PolarHBondContact O-N 2.9Å; Q665-S670 PolarHBondContact O-OG 3.49Å; Q665-S670 VanDerWaalsContact O-OG 3.06Å
666	Y	94.2	Very high	93.9	Very high	30 Å²	30	37.6 Å²	37.6	12%	0.118	18%	0.179	C	C	.	.	H	α-helix	trans	-69.3	-55.8	176.2	176.9	-112.2	0	0	0	113	E627 K629 V640 L642 L662 L663 A664 S670 Q671	E627-Y666 HydrophobicContact CB-CD1 4.31Å; E627-Y666 HydrophobicContact CB-CE1 4.22Å; E627-Y666 HydrophobicContact CG-CD1 4.45Å; E627-Y666 HydrophobicContact CG-CE1 4.24Å; K629-Y666 WeakPolarHBondContact CD-OH 3.32Å; K629-Y666 WeakPolarHBondContact CE-OH 3.35Å; K629-Y666 PolarHBondContact NZ-OH 3.41Å; K629-Y666 VanDerWaalsContact NZ-OH 3.08Å; V640-Y666 HydrophobicContact CB-CE2 4.34Å; V640-Y666 HydrophobicContact CG1-CD2 4.21Å; V640-Y666 HydrophobicContact CG1-CE2 3.61Å; V640-Y666 WeakPolarHBondContact CG2-OH 3.19Å; L642-Y666 HydrophobicContact CD2-CD1 4.01Å; L642-Y666 HydrophobicContact CD2-CG 3.8Å; L662-Y666 WeakPolarHBondContact O-CB 3.35Å; L662-Y666 PolarHBondContact O-N 3.42Å; L663-Y666 PolarHBondContact O-N 2.79Å; A664-Y666 PolarHBondContact O-N 3.07Å; Y666-S670 PolarHBondContact O-N 3.27Å; Y666-Q671 HydrophobicContact CD2-CG 4.41Å; Y666-Q671 HydrophobicContact CE1-CG 4.44Å; Y666-Q671 VanDerWaalsContact CE1-NE2 3.3Å; Y666-Q671 HydrophobicContact CE2-CG 3.92Å; Y666-Q671 WeakPolarHBondContact O-CG 3.49Å; Y666-Q671 PolarHBondContact O-N 2.98Å
667	R	95.4	Very high	94.1	Very high	77 Å²	77	40.9 Å²	40.9	29%	0.291	19%	0.194	S	C	.	.	H	α-helix	trans	-71.3	-35	-172.2	-75	-177.1	161.4	-96	-0.4	113.8	F598 E627 L663 A664	F598-R667 HydrophobicContact CE1-CB 4.06Å; F598-R667 HydrophobicContact CZ-CB 3.92Å; E627-R667 IonicContact OE1-CZ 3.28Å; E627-R667 IonicContact OE1-NE 2.75Å; E627-R667 PolarHBondContact OE1-NE 3.28Å; E627-R667 IonicContact OE1-NH2 3.56Å; E627-R667 PolarHBondContact OE1-NH2 3.21Å; L663-R667 HydrophobicContact CD1-CG 4.15Å; L663-R667 WeakPolarHBondContact O-CB 3.49Å; L663-R667 PolarHBondContact O-N 2.85Å; A664-R667 PolarHBondContact O-N 3.21Å
668	L	95.9	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-101.5	-17.3	-172.4	-55.6	176	0	0	0	113.8	F529 H538 Q587 M593 F598 A664	F529-L668 HydrophobicContact CE1-CD2 4.1Å; F529-L668 HydrophobicContact CE2-CD2 3.87Å; F529-L668 HydrophobicContact CZ-CD2 3.46Å; F529-L668 VanDerWaalsContact CZ-CD2 3.46Å; H538-L668 PolarHBondContact CE1-O 3.28Å; H538-L668 PolarHBondContact NE2-O 2.83Å; Q587-L668 PolarHBondContact NE2-O 2.83Å; M593-L668 HydrophobicContact CB-CB 4.39Å; M593-L668 HydrophobicContact CG-CB 4.03Å; M593-L668 HydrophobicContact SD-CB 4.24Å; F598-L668 HydrophobicContact CD1-CD1 4.03Å; F598-L668 HydrophobicContact CD1-CD2 3.99Å; F598-L668 HydrophobicContact CD1-CG 4.25Å; F598-L668 HydrophobicContact CE1-CD1 3.88Å; F598-L668 HydrophobicContact CE1-CD2 3.64Å; F598-L668 HydrophobicContact CE1-CG 3.69Å; F598-L668 HydrophobicContact CG-CD1 4.44Å; F598-L668 HydrophobicContact CZ-CD1 4.14Å; F598-L668 HydrophobicContact CZ-CD2 4.49Å; F598-L668 HydrophobicContact CZ-CG 4.07Å; A664-L668 HydrophobicContact CB-CD1 4.31Å; A664-L668 VanDerWaalsContact O-CB 3.29Å; A664-L668 WeakPolarHBondContact O-CB 3.43Å; A664-L668 PolarHBondContact O-N 3.42Å
669	A	93.9	Very high	95.1	Very high	6 Å²	6	35.2 Å²	35.2	5%	0.05	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-54.3	-176.4	0	0	0	0	0	114.1	Q587 M593 Q665 Q671 V672 K673	Q587-A669 HydrophobicContact CG-CB 4.38Å; Q587-A669 VanDerWaalsContact OE1-CB 3.25Å; M593-A669 HydrophobicContact CG-CB 3.5Å; Q665-A669 WeakPolarHBondContact O-CB 3.38Å; Q665-A669 PolarHBondContact O-N 3.24Å; A669-Q671 PolarHBondContact O-N 3.26Å; A669-V672 CarbonylContact O-C 3.58Å; A669-V672 WeakPolarHBondContact O-CG2 3.5Å; A669-V672 PolarHBondContact O-N 3.03Å; A669-K673 PolarHBondContact O-N 2.55Å
670	S	93.5	Very high	95.3	Very high	61 Å²	61	36.9 Å²	36.9	43%	0.427	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-61.1	-33.6	-172.7	-61	0	0	0	0	113.1	Q665 Y666 V672	Q665-S670 PolarHBondContact O-N 2.9Å; Q665-S670 PolarHBondContact O-OG 3.49Å; Q665-S670 VanDerWaalsContact O-OG 3.06Å; Y666-S670 PolarHBondContact O-N 3.27Å; S670-V672 VanDerWaalsContact C-N 3.29Å; S670-V672 PolarHBondContact O-N 3.36Å
671	Q	94.9	Very high	95.5	Very high	44 Å²	44	42.3 Å²	42.3	21%	0.206	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-73.6	-18.9	179	-71.3	-174.6	69.5	0	0	114.3	P541 Y666 A669	P541-Q671 HydrophobicContact CB-CB 3.81Å; Y666-Q671 HydrophobicContact CD2-CG 4.41Å; Y666-Q671 HydrophobicContact CE1-CG 4.44Å; Y666-Q671 VanDerWaalsContact CE1-NE2 3.3Å; Y666-Q671 HydrophobicContact CE2-CG 3.92Å; Y666-Q671 WeakPolarHBondContact O-CG 3.49Å; Y666-Q671 PolarHBondContact O-N 2.98Å; A669-Q671 PolarHBondContact O-N 3.26Å
672	V	96.6	Very high	95.8	Very high	1 Å²	1	41 Å²	41	1%	0.006	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-119.1	16.6	-178	-63.7	0	0	0	0	112.1	H538 P539 P541 A669 S670 E674 E675 V676	H538-V672 WeakPolarHBondContact NE2-CG2 3.26Å; P539-V672 HydrophobicContact CB-CB 4.01Å; P539-V672 HydrophobicContact CB-CG1 4.06Å; P539-V672 WeakPolarHBondContact O-CG1 3.29Å; P541-V672 HydrophobicContact CB-CG1 3.83Å; P541-V672 HydrophobicContact CG-CG1 4.35Å; A669-V672 CarbonylContact O-C 3.58Å; A669-V672 WeakPolarHBondContact O-CG2 3.5Å; A669-V672 PolarHBondContact O-N 3.03Å; S670-V672 VanDerWaalsContact C-N 3.29Å; S670-V672 PolarHBondContact O-N 3.36Å; V672-E674 VanDerWaalsContact C-N 3.32Å; V672-E674 PolarHBondContact O-N 3.01Å; V672-E675 WeakPolarHBondContact CA-OE2 3.44Å; V672-E675 HydrophobicContact CB-CB 4.5Å; V672-E675 WeakPolarHBondContact O-CB 3.35Å; V672-E675 PolarHBondContact O-N 3.37Å; V672-V676 HydrophobicContact CB-CG2 4.36Å; V672-V676 HydrophobicContact CG2-CG2 3.85Å; V672-V676 VanDerWaalsContact O-CG2 3.31Å; V672-V676 WeakPolarHBondContact O-CG2 3.49Å; V672-V676 PolarHBondContact O-N 2.95Å
673	K	95.7	Very high	96.1	Very high	122 Å²	122	39.3 Å²	39.3	53%	0.53	19%	0.185	S	C	.	.	H	α-helix	trans	-57.6	-45.3	-170.6	179.9	-177.9	169.8	-174.5	0	111.7	A669 V676 E677	A669-K673 PolarHBondContact O-N 2.55Å; K673-V676 PolarHBondContact O-N 3.15Å; K673-E677 WeakPolarHBondContact CE-OE1 3.38Å; K673-E677 HydrophobicContact CG-CG 4.44Å; K673-E677 IonicContact NZ-OE1 2.97Å; K673-E677 WeakPolarHBondContact O-CB 3.48Å; K673-E677 VanDerWaalsContact O-CG 3.26Å; K673-E677 WeakPolarHBondContact O-CG 3.39Å; K673-E677 PolarHBondContact O-N 3.46Å
674	E	97.6	Very high	96.1	Very high	106 Å²	106	41.9 Å²	41.9	50%	0.495	20%	0.199	S	C	.	.	H	α-helix	trans	-66.3	-39.9	-179	-63.2	-169.4	138.4	0	0	111.5	R543 L549 V672 E677 H678	R543-E674 IonicContact NH2-OE2 2.67Å; L549-E674 HydrophobicContact CD1-CB 4.09Å; L549-E674 HydrophobicContact CD2-CB 3.9Å; V672-E674 VanDerWaalsContact C-N 3.32Å; V672-E674 PolarHBondContact O-N 3.01Å; E674-E677 PolarHBondContact O-N 3.42Å; E674-H678 WeakPolarHBondContact O-CB 3.31Å; E674-H678 PolarHBondContact O-N 2.69Å; E674-H678 PolarHBondContact O-ND1 3.03Å
675	E	98	Very high	96.1	Very high	9 Å²	9	44.1 Å²	44.1	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-47.2	178.5	-66.3	66.2	-150.8	0	0	110.7	P539 R543 L549 Y552 V672 H678 F679	P539-E675 HydrophobicContact CB-CB 3.93Å; R543-E675 WeakPolarHBondContact CD-OE1 3.18Å; R543-E675 IonicContact CZ-OE1 2.73Å; R543-E675 IonicContact NE-OE1 2.69Å; R543-E675 PolarHBondContact NE-OE1 3.07Å; R543-E675 IonicContact NH2-OE1 3.83Å; L549-E675 HydrophobicContact CD2-CG 4.23Å; Y552-E675 WeakPolarHBondContact CB-O 3.33Å; Y552-E675 HydrophobicContact CD1-CB 4Å; Y552-E675 HydrophobicContact CD2-CB 4.17Å; Y552-E675 HydrophobicContact CD2-CG 4.07Å; Y552-E675 HydrophobicContact CE1-CB 3.79Å; Y552-E675 HydrophobicContact CE1-CG 3.99Å; Y552-E675 HydrophobicContact CE2-CB 3.95Å; Y552-E675 HydrophobicContact CE2-CG 3.46Å; Y552-E675 VanDerWaalsContact CE2-CG 3.46Å; Y552-E675 HydrophobicContact CG-CB 4.16Å; Y552-E675 WeakPolarHBondContact OH-CG 3.4Å; V672-E675 WeakPolarHBondContact CA-OE2 3.44Å; V672-E675 HydrophobicContact CB-CB 4.5Å; V672-E675 WeakPolarHBondContact O-CB 3.35Å; V672-E675 PolarHBondContact O-N 3.37Å; E675-H678 PolarHBondContact O-N 3.43Å; E675-F679 WeakPolarHBondContact O-CB 3.38Å; E675-F679 PolarHBondContact O-N 3.46Å
676	V	97.5	Very high	96.3	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.048	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-44.1	177.3	174.4	0	0	0	0	111	P539 F584 Q587 V672 K673 H678 F679 L680	P539-V676 HydrophobicContact CG-CG2 4.13Å; F584-V676 HydrophobicContact CD2-CG2 4.14Å; F584-V676 HydrophobicContact CE2-CG2 4.08Å; Q587-V676 HydrophobicContact CB-CG1 4.11Å; V672-V676 HydrophobicContact CB-CG2 4.36Å; V672-V676 HydrophobicContact CG2-CG2 3.85Å; V672-V676 VanDerWaalsContact O-CG2 3.31Å; V672-V676 WeakPolarHBondContact O-CG2 3.49Å; V672-V676 PolarHBondContact O-N 2.95Å; K673-V676 PolarHBondContact O-N 3.15Å; V676-H678 VanDerWaalsContact C-N 3.34Å; V676-H678 PolarHBondContact O-N 2.91Å; V676-F679 WeakPolarHBondContact O-CB 3.47Å; V676-F679 PolarHBondContact O-N 3.02Å; V676-L680 HydrophobicContact CG1-CD1 4.07Å; V676-L680 HydrophobicContact CG1-CG 4.41Å; V676-L680 WeakPolarHBondContact O-CB 3.44Å; V676-L680 WeakPolarHBondContact O-CG 3.22Å; V676-L680 PolarHBondContact O-N 3.36Å
677	E	96.9	Very high	96.4	Very high	99 Å²	99	39.8 Å²	39.8	46%	0.463	19%	0.19	S	C	.	.	H	α-helix	trans	-61.2	-41.2	177.4	-77.9	176.4	172.5	0	0	112.1	K673 E674 K681	K673-E677 WeakPolarHBondContact CE-OE1 3.38Å; K673-E677 HydrophobicContact CG-CG 4.44Å; K673-E677 IonicContact NZ-OE1 2.97Å; K673-E677 WeakPolarHBondContact O-CB 3.48Å; K673-E677 VanDerWaalsContact O-CG 3.26Å; K673-E677 WeakPolarHBondContact O-CG 3.39Å; K673-E677 PolarHBondContact O-N 3.46Å; E674-E677 PolarHBondContact O-N 3.42Å; E677-K681 WeakPolarHBondContact O-CB 3.34Å; E677-K681 PolarHBondContact O-N 2.92Å
678	H	98.4	Very high	96.2	Very high	48 Å²	48	37.6 Å²	37.6	22%	0.222	19%	0.186	C	C	.	.	H	α-helix	trans	-71.5	-38	176.3	-76.2	78.4	0	0	0	112.2	L549 E553 E674 E675 V676 K681 G682	L549-H678 HydrophobicContact CB-CB 4.38Å; E553-H678 WeakPolarHBondContact CA-O 3.27Å; E553-H678 HydrophobicContact CG-CB 3.88Å; E553-H678 WeakPolarHBondContact CG-O 3.42Å; E553-H678 PolarHBondContact N-O 2.9Å; E553-H678 IonicContact OE1-CD2 3.27Å; E553-H678 PolarHBondContact OE1-CD2 3.49Å; E674-H678 WeakPolarHBondContact O-CB 3.31Å; E674-H678 PolarHBondContact O-N 2.69Å; E674-H678 PolarHBondContact O-ND1 3.03Å; E675-H678 PolarHBondContact O-N 3.43Å; V676-H678 VanDerWaalsContact C-N 3.34Å; V676-H678 PolarHBondContact O-N 2.91Å; H678-K681 WeakPolarHBondContact O-CB 3.42Å; H678-K681 PolarHBondContact O-N 3.15Å; H678-G682 PolarHBondContact O-N 3.42Å; H678-G682 VanDerWaalsContact O-N 3.14Å
679	F	98.4	Very high	95.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.8	-51.3	171.5	-177.6	-86.7	0	0	0	111.3	F519 Y552 A555 G556 V559 F584 I588 E675 V676 K681 G682 L683	F519-F679 HydrophobicContact CE1-CE2 4.41Å; Y552-F679 WeakPolarHBondContact O-CA 3.48Å; A555-F679 HydrophobicContact CB-CD2 3.81Å; A555-F679 HydrophobicContact CB-CE2 3.89Å; G556-F679 VanDerWaalsContact CA-O 3.32Å; G556-F679 WeakPolarHBondContact CA-O 3.31Å; V559-F679 HydrophobicContact CB-CZ 4.15Å; V559-F679 HydrophobicContact CG1-CZ 4.45Å; V559-F679 HydrophobicContact CG2-CE2 4.2Å; V559-F679 HydrophobicContact CG2-CZ 3.84Å; F584-F679 HydrophobicContact CE1-CZ 4.35Å; F584-F679 HydrophobicContact CE2-CD1 4.33Å; F584-F679 HydrophobicContact CE2-CG 4.48Å; F584-F679 AromaticContact CZ-CD1 3.84Å; F584-F679 HydrophobicContact CZ-CD1 3.84Å; F584-F679 HydrophobicContact CZ-CD2 4.06Å; F584-F679 AromaticContact CZ-CE1 3.86Å; F584-F679 HydrophobicContact CZ-CE1 3.86Å; F584-F679 HydrophobicContact CZ-CE2 4.08Å; F584-F679 AromaticContact CZ-CG 3.94Å; F584-F679 HydrophobicContact CZ-CG 3.94Å; F584-F679 AromaticContact CZ-CZ 3.97Å; F584-F679 HydrophobicContact CZ-CZ 3.97Å; I588-F679 HydrophobicContact CD1-CD1 4.38Å; I588-F679 HydrophobicContact CD1-CE1 3.62Å; I588-F679 HydrophobicContact CD1-CZ 4.25Å; I588-F679 HydrophobicContact CG1-CD1 4.28Å; I588-F679 HydrophobicContact CG1-CE1 3.94Å; E675-F679 WeakPolarHBondContact O-CB 3.38Å; E675-F679 PolarHBondContact O-N 3.46Å; V676-F679 WeakPolarHBondContact O-CB 3.47Å; V676-F679 PolarHBondContact O-N 3.02Å; F679-K681 VanDerWaalsContact C-N 3.32Å; F679-K681 PolarHBondContact O-N 3.28Å; F679-G682 PolarHBondContact O-N 3.28Å; F679-G682 VanDerWaalsContact O-N 3.15Å; F679-L683 HydrophobicContact CE1-CD2 4.08Å; F679-L683 WeakPolarHBondContact O-CB 3.47Å; F679-L683 PolarHBondContact O-N 2.87Å
680	L	97.2	Very high	94.9	Very high	36 Å²	36	47.6 Å²	47.6	19%	0.188	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-40.2	177.6	-77.4	177.1	0	0	0	112.2	I588 V676 G682 L683 N684	I588-L680 HydrophobicContact CB-CD2 4.43Å; I588-L680 HydrophobicContact CG1-CD2 4.48Å; I588-L680 HydrophobicContact CG2-CD2 4.27Å; V676-L680 HydrophobicContact CG1-CD1 4.07Å; V676-L680 HydrophobicContact CG1-CG 4.41Å; V676-L680 WeakPolarHBondContact O-CB 3.44Å; V676-L680 WeakPolarHBondContact O-CG 3.22Å; V676-L680 PolarHBondContact O-N 3.36Å; L680-G682 VanDerWaalsContact C-N 3.31Å; L680-G682 PolarHBondContact O-N 3Å; L680-L683 HydrophobicContact CD2-CD2 4.18Å; L680-L683 PolarHBondContact O-N 3.36Å; L680-N684 WeakPolarHBondContact O-CB 3.4Å; L680-N684 PolarHBondContact O-N 2.75Å; L680-N684 PolarHBondContact O-ND2 2.92Å
681	K	97.2	Very high	94.7	Very high	114 Å²	114	45.3 Å²	45.3	50%	0.496	22%	0.218	S	C	.	.	H	α-helix	trans	-57	-44.7	175	-179.3	-179.3	172	-163.1	0	111.9	E553 E677 H678 F679	E553-K681 HydrophobicContact CG-CD 4.41Å; E553-K681 WeakPolarHBondContact OE1-CD 3.34Å; E553-K681 WeakPolarHBondContact OE1-CE 3.45Å; E553-K681 IonicContact OE1-NZ 2.79Å; E553-K681 PolarHBondContact OE1-NZ 3.36Å; E677-K681 WeakPolarHBondContact O-CB 3.34Å; E677-K681 PolarHBondContact O-N 2.92Å; H678-K681 WeakPolarHBondContact O-CB 3.42Å; H678-K681 PolarHBondContact O-N 3.15Å; F679-K681 VanDerWaalsContact C-N 3.32Å; F679-K681 PolarHBondContact O-N 3.28Å
682	G	97.3	Very high	94.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.5	-41.5	176.7	0	0	0	0	0	113.6	E553 R557 H678 F679 L680	E553-G682 WeakPolarHBondContact O-CA 3.26Å; R557-G682 WeakPolarHBondContact CG-O 3.4Å; H678-G682 PolarHBondContact O-N 3.42Å; H678-G682 VanDerWaalsContact O-N 3.14Å; F679-G682 PolarHBondContact O-N 3.28Å; F679-G682 VanDerWaalsContact O-N 3.15Å; L680-G682 VanDerWaalsContact C-N 3.31Å; L680-G682 PolarHBondContact O-N 3Å
683	L	97.6	Very high	93.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-46	177.4	178	61.5	0	0	0	111.5	G556 V559 L563 I588 F679 L680 E685 L686 V687 L692	G556-L683 VanDerWaalsContact C-N 3.34Å; G556-L683 VanDerWaalsContact O-CA 3.29Å; G556-L683 WeakPolarHBondContact O-CA 3.28Å; V559-L683 HydrophobicContact CB-CD1 4.27Å; V559-L683 HydrophobicContact CG1-CD1 3.86Å; L563-L683 HydrophobicContact CD1-CD1 4.13Å; I588-L683 HydrophobicContact CG2-CD2 3.76Å; F679-L683 HydrophobicContact CE1-CD2 4.08Å; F679-L683 WeakPolarHBondContact O-CB 3.47Å; F679-L683 PolarHBondContact O-N 2.87Å; L680-L683 HydrophobicContact CD2-CD2 4.18Å; L680-L683 PolarHBondContact O-N 3.36Å; L683-E685 PolarHBondContact O-N 3.16Å; L683-L686 PolarHBondContact O-N 3.44Å; L683-L686 VanDerWaalsContact O-N 3.13Å; L683-V687 HydrophobicContact CD1-CB 4.47Å; L683-V687 HydrophobicContact CD1-CG2 4.33Å; L683-V687 PolarHBondContact O-N 3.2Å; L683-L692 HydrophobicContact CD1-CD1 4.49Å; L683-L692 HydrophobicContact CD2-CD1 3.76Å; L683-L692 HydrophobicContact CG-CD1 4.32Å
684	N	95.8	Very high	93.2	Very high	54 Å²	54	38.6 Å²	38.6	29%	0.289	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.3	-173.1	-66.3	-18.1	0	0	0	113.9	L680 L686 V687	L680-N684 WeakPolarHBondContact O-CB 3.4Å; L680-N684 PolarHBondContact O-N 2.75Å; L680-N684 PolarHBondContact O-ND2 2.92Å; N684-L686 VanDerWaalsContact C-N 3.28Å; N684-V687 VanDerWaalsContact CA-O 3.26Å; N684-V687 WeakPolarHBondContact CA-O 3.5Å; N684-V687 PolarHBondContact OD1-O 3.47Å
685	E	95	Very high	92.7	Very high	48 Å²	48	33.7 Å²	33.7	22%	0.224	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-29.1	169.2	-76.2	176.9	-163.4	0	0	112.6	I484 R557 L683	I484-E685 HydrophobicContact CD1-CB 4.36Å; I484-E685 HydrophobicContact CD1-CG 4.31Å; I484-E685 HydrophobicContact CG1-CB 4.23Å; I484-E685 HydrophobicContact CG1-CG 4.37Å; R557-E685 WeakPolarHBondContact CD-OE2 3.33Å; R557-E685 IonicContact CZ-OE1 3.13Å; R557-E685 IonicContact CZ-OE2 3.17Å; R557-E685 IonicContact NE-OE1 2.71Å; R557-E685 PolarHBondContact NE-OE1 2.99Å; R557-E685 IonicContact NE-OE2 2.7Å; R557-E685 PolarHBondContact NE-OE2 3.26Å; R557-E685 IonicContact NH2-OE1 3.91Å; R557-E685 PolarHBondContact NH2-OE1 3.04Å; R557-E685 IonicContact NH2-OE2 3.7Å; L683-E685 PolarHBondContact O-N 3.16Å
686	L	95.6	Very high	92	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-39	-178.7	-68.3	173.9	0	0	0	111.7	L450 H454 W487 R557 K561 L683 N684	L450-L686 WeakPolarHBondContact CD1-O 3.36Å; H454-L686 PolarHBondContact CE1-O 3.19Å; H454-L686 PolarHBondContact NE2-O 3.06Å; W487-L686 HydrophobicContact CB-CD1 4.22Å; W487-L686 HydrophobicContact CB-CD2 3.93Å; W487-L686 HydrophobicContact CB-CG 4.49Å; W487-L686 HydrophobicContact CE3-CD1 4.5Å; R557-L686 WeakPolarHBondContact O-CD1 3.4Å; K561-L686 HydrophobicContact CB-CD1 3.88Å; K561-L686 VanDerWaalsContact N-CD1 3.3Å; L683-L686 PolarHBondContact O-N 3.44Å; L683-L686 VanDerWaalsContact O-N 3.13Å; N684-L686 VanDerWaalsContact C-N 3.28Å
687	V	95.6	Very high	91.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-114.8	117.3	-175.8	-175.9	0	0	0	0	109.7	F446 L450 L563 L683 N684 E689 L692	F446-V687 HydrophobicContact CE2-CG1 3.75Å; F446-V687 HydrophobicContact CZ-CG1 3.93Å; L450-V687 HydrophobicContact CD1-CG1 4.49Å; L450-V687 HydrophobicContact CD1-CG2 4.27Å; L450-V687 HydrophobicContact CD2-CG2 4.37Å; L563-V687 HydrophobicContact CB-CG2 4.07Å; L563-V687 HydrophobicContact CD1-CG2 4.05Å; L683-V687 HydrophobicContact CD1-CB 4.47Å; L683-V687 HydrophobicContact CD1-CG2 4.33Å; L683-V687 PolarHBondContact O-N 3.2Å; N684-V687 VanDerWaalsContact CA-O 3.26Å; N684-V687 WeakPolarHBondContact CA-O 3.5Å; N684-V687 PolarHBondContact OD1-O 3.47Å; V687-E689 PolarHBondContact O-N 2.94Å; V687-L692 HydrophobicContact CG1-CD1 4.05Å; V687-L692 HydrophobicContact CG1-CD2 4.15Å; V687-L692 HydrophobicContact CG1-CG 3.79Å
688	P	91	Very high	90.9	Very high	31 Å²	31	32.4 Å²	32.4	20%	0.201	16%	0.164	C	C	.	.			trans	-54.1	132.7	175.1	-21.6	27.1	0	0	0	112.4	V453 N690 L691	V453-P688 HydrophobicContact CG1-CG 4.3Å; V453-P688 HydrophobicContact CG2-CG 3.83Å; P688-N690 WeakPolarHBondContact CB-OD1 3.35Å; P688-N690 PolarHBondContact O-N 2.96Å; P688-L691 HydrophobicContact CB-CD1 4.26Å; P688-L691 HydrophobicContact CB-CG 4.07Å; P688-L691 HydrophobicContact CG-CD1 3.82Å; P688-L691 HydrophobicContact CG-CG 4.19Å; P688-L691 PolarHBondContact O-N 3.25Å
689	E	83.1	Confident	90.4	Very high	114 Å²	114	31 Å²	31	53%	0.533	16%	0.158	S	C	.	.	H	α-helix	trans	-50	-37.9	-175.7	-174.6	-162.6	126.6	0	0	113	K360 V687	K360-E689 IonicContact NZ-OE1 2.73Å; K360-E689 PolarHBondContact NZ-OE1 3.31Å; V687-E689 PolarHBondContact O-N 2.94Å
690	N	80.8	Confident	90.1	Very high	103 Å²	103	31 Å²	31	55%	0.551	16%	0.158	S	C	*	.	H	α-helix	trans	-78.9	-14.3	-177.4	65.9	-64.5	0	0	0	114.3	P688 A693	P688-N690 WeakPolarHBondContact CB-OD1 3.35Å; P688-N690 PolarHBondContact O-N 2.96Å; N690-A693 WeakPolarHBondContact O-CB 3.36Å
691	L	87.9	Confident	89.8	Confident	12 Å²	12	29.3 Å²	29.3	6%	0.063	15%	0.149	C	C	.	.	H	α-helix	trans	-79.1	-33.3	-178	-73.9	-172	0	0	0	112.5	F445 F446 E449 P688 A693 I694	F445-L691 HydrophobicContact CE1-CD2 4.42Å; F446-L691 HydrophobicContact CD2-CB 3.84Å; F446-L691 HydrophobicContact CE2-CB 3.9Å; E449-L691 HydrophobicContact CB-CD1 3.86Å; E449-L691 HydrophobicContact CB-CD2 3.79Å; E449-L691 HydrophobicContact CG-CD2 4.19Å; P688-L691 HydrophobicContact CB-CD1 4.26Å; P688-L691 HydrophobicContact CB-CG 4.07Å; P688-L691 HydrophobicContact CG-CD1 3.82Å; P688-L691 HydrophobicContact CG-CG 4.19Å; P688-L691 PolarHBondContact O-N 3.25Å; L691-A693 VanDerWaalsContact C-N 3.26Å; L691-I694 WeakPolarHBondContact O-CG1 3.37Å
692	L	89.6	Confident	89.4	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-75.1	-20.7	176	-65.7	176.1	0	0	0	112.5	F446 L563 I588 I589 L683 V687 I694 F695 L700 L703	F446-L692 HydrophobicContact CD2-CD2 4.4Å; F446-L692 HydrophobicContact CE2-CD2 3.55Å; F446-L692 HydrophobicContact CE2-CG 4.26Å; F446-L692 HydrophobicContact CZ-CD2 3.84Å; L563-L692 HydrophobicContact CD1-CD1 4.4Å; L563-L692 HydrophobicContact CD1-CD2 4.05Å; I588-L692 HydrophobicContact CG2-CD1 4.16Å; I589-L692 HydrophobicContact CG2-CB 4.22Å; I589-L692 WeakPolarHBondContact CG2-O 3.5Å; L683-L692 HydrophobicContact CD1-CD1 4.49Å; L683-L692 HydrophobicContact CD2-CD1 3.76Å; L683-L692 HydrophobicContact CG-CD1 4.32Å; V687-L692 HydrophobicContact CG1-CD1 4.05Å; V687-L692 HydrophobicContact CG1-CD2 4.15Å; V687-L692 HydrophobicContact CG1-CG 3.79Å; L692-I694 PolarHBondContact O-N 3.02Å; L692-I694 VanDerWaalsContact O-N 3.07Å; L692-F695 PolarHBondContact O-N 3.28Å; L692-F695 VanDerWaalsContact O-N 3.16Å; L692-L700 HydrophobicContact CD2-CD1 3.88Å; L692-L703 HydrophobicContact CD2-CD2 3.94Å
693	A	82.5	Confident	89.1	Confident	22 Å²	22	25.3 Å²	25.3	18%	0.182	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.5	179.4	0	0	0	0	0	115.5	N690 L691 F695	N690-A693 WeakPolarHBondContact O-CB 3.36Å; L691-A693 VanDerWaalsContact C-N 3.26Å; A693-F695 VanDerWaalsContact C-N 3.28Å
694	I	84.4	Confident	88.7	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.015	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.9	-179.2	74.1	-176.8	0	0	0	112.1	N432 I433 K442 F445 F446 L691 L692	N432-I694 WeakPolarHBondContact O-CG2 3.24Å; I433-I694 HydrophobicContact CG2-CB 4.17Å; I433-I694 HydrophobicContact CG2-CG2 4.4Å; K442-I694 HydrophobicContact CB-CD1 4.01Å; K442-I694 HydrophobicContact CB-CG1 4.33Å; K442-I694 HydrophobicContact CD-CG1 4.5Å; K442-I694 VanDerWaalsContact CD-O 3.28Å; K442-I694 WeakPolarHBondContact CD-O 3.29Å; K442-I694 HydrophobicContact CG-CD1 4.45Å; K442-I694 WeakPolarHBondContact O-CD1 3.45Å; F445-I694 HydrophobicContact CD1-CD1 3.9Å; F446-I694 HydrophobicContact CB-CD1 4.04Å; L691-I694 WeakPolarHBondContact O-CG1 3.37Å; L692-I694 PolarHBondContact O-N 3.02Å; L692-I694 VanDerWaalsContact O-N 3.07Å
695	F	86.3	Confident	88.2	Confident	3 Å²	3	22.9 Å²	22.9	1%	0.013	12%	0.12	C	C	.	.	S	Bend	trans	-95.1	145	-179.4	-56.6	-74.7	0	0	0	110.4	F439 K442 V443 F446 I589 L692 A693 E699 L700 L703	F439-F695 HydrophobicContact CD2-CD1 4.18Å; F439-F695 HydrophobicContact CD2-CE1 4.22Å; F439-F695 HydrophobicContact CE2-CD1 4.11Å; F439-F695 HydrophobicContact CE2-CE1 4.08Å; K442-F695 HydrophobicContact CB-CD1 4.17Å; K442-F695 HydrophobicContact CB-CE1 3.58Å; K442-F695 HydrophobicContact CB-CZ 4.16Å; V443-F695 HydrophobicContact CG2-CE1 3.96Å; V443-F695 HydrophobicContact CG2-CZ 4.32Å; F446-F695 HydrophobicContact CB-CE2 3.85Å; F446-F695 HydrophobicContact CB-CZ 3.72Å; F446-F695 AromaticContact CD2-CE2 3.85Å; F446-F695 HydrophobicContact CD2-CE2 3.85Å; F446-F695 AromaticContact CG-CE2 3.83Å; F446-F695 HydrophobicContact CG-CE2 3.83Å; F446-F695 HydrophobicContact CG-CZ 4.08Å; I589-F695 VanDerWaalsContact CD1-O 3.26Å; I589-F695 WeakPolarHBondContact CD1-O 3.41Å; L692-F695 PolarHBondContact O-N 3.28Å; L692-F695 VanDerWaalsContact O-N 3.16Å; A693-F695 VanDerWaalsContact C-N 3.28Å; F695-E699 WeakPolarHBondContact CA-OE2 3.4Å; F695-E699 HydrophobicContact CB-CB 3.89Å; F695-E699 HydrophobicContact CD1-CB 3.95Å; F695-E699 HydrophobicContact CG-CB 4.38Å; F695-L700 HydrophobicContact CB-CB 4.32Å; F695-L703 HydrophobicContact CD2-CD2 3.75Å; F695-L703 HydrophobicContact CE2-CD2 3.45Å; F695-L703 VanDerWaalsContact CE2-CD2 3.45Å; F695-L703 HydrophobicContact CG-CD2 4.43Å; F695-L703 HydrophobicContact CZ-CD1 4.27Å; F695-L703 HydrophobicContact CZ-CD2 3.86Å
696	D	84.1	Confident	87.3	Confident	38 Å²	38	20.8 Å²	20.8	20%	0.203	11%	0.111	C	C	.	.			trans	-76.5	-179.6	160.5	68.5	46.5	0	0	0	111.1	N698 E699 L700	D696-N698 VanDerWaalsContact C-N 3.35Å; D696-N698 PolarHBondContact O-N 2.73Å; D696-N698 WeakPolarHBondContact OD1-CA 3.21Å; D696-N698 VanDerWaalsContact OD1-CB 3.31Å; D696-N698 WeakPolarHBondContact OD1-CB 3.3Å; D696-N698 PolarHBondContact OD1-N 2.91Å; D696-E699 PolarHBondContact N-OE2 2.73Å; D696-E699 WeakPolarHBondContact OD1-CB 3.25Å; D696-E699 WeakPolarHBondContact OD1-CG 3.48Å; D696-E699 PolarHBondContact OD1-N 2.81Å; D696-L700 WeakPolarHBondContact O-CB 3.4Å; D696-L700 PolarHBondContact O-N 3.35Å
697	E	86.6	Confident	86	Confident	25 Å²	25	22.5 Å²	22.5	12%	0.117	12%	0.122	C	C	.	.	H	α-helix	trans	-67	-32.6	-178.7	-58	87.5	162.9	0	0	113.6	R582 L585 A586 I589 L591 Y597 E701	R582-E697 PolarHBondContact NH1-O 3Å; R582-E697 VanDerWaalsContact NH1-O 3.09Å; L585-E697 HydrophobicContact CB-CB 4.04Å; L585-E697 HydrophobicContact CB-CG 4.27Å; L585-E697 WeakPolarHBondContact CD1-O 3.42Å; A586-E697 HydrophobicContact CB-CG 3.67Å; A586-E697 WeakPolarHBondContact CB-OE1 3.2Å; I589-E697 HydrophobicContact CD1-CG 4.25Å; L591-E697 WeakPolarHBondContact CD1-OE1 3.2Å; Y597-E697 HydrophobicContact CE1-CG 4.5Å; Y597-E697 PolarHBondContact OH-OE1 3.47Å; E697-E701 PolarHBondContact O-N 3.2Å; E697-E701 VanDerWaalsContact O-N 3.11Å
698	N	85.1	Confident	84.6	Confident	25 Å²	25	23.2 Å²	23.2	13%	0.134	13%	0.13	C	C	.	.	H	α-helix	trans	-72.5	-45.8	179.1	-59.8	-56.3	0	0	0	110.2	R582 D696 E701 L702 Q753 C817	R582-N698 PolarHBondContact NE-OD1 2.69Å; R582-N698 VanDerWaalsContact NE-OD1 3.12Å; R582-N698 PolarHBondContact NH1-OD1 2.67Å; R582-N698 PolarHBondContact NH2-OD1 2.96Å; D696-N698 VanDerWaalsContact C-N 3.35Å; D696-N698 PolarHBondContact O-N 2.73Å; D696-N698 WeakPolarHBondContact OD1-CA 3.21Å; D696-N698 VanDerWaalsContact OD1-CB 3.31Å; D696-N698 WeakPolarHBondContact OD1-CB 3.3Å; D696-N698 PolarHBondContact OD1-N 2.91Å; N698-E701 PolarHBondContact O-N 2.99Å; N698-L702 WeakPolarHBondContact O-CB 3.45Å; N698-L702 PolarHBondContact O-N 3.41Å; N698-Q753 PolarHBondContact O-NE2 3.12Å; N698-C817 HydrophobicContact CB-CB 4.33Å; N698-C817 PolarHBondContact ND2-O 2.97Å
699	E	87.9	Confident	83.7	Confident	19 Å²	19	29 Å²	29	9%	0.089	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-39.2	174.4	-67.7	-176	137.4	0	0	112.2	F439 K442 F695 D696 L702 L703	F439-E699 HydrophobicContact CD2-CB 3.68Å; F439-E699 HydrophobicContact CD2-CG 3.62Å; F439-E699 HydrophobicContact CE2-CB 3.81Å; F439-E699 HydrophobicContact CE2-CG 4.23Å; F439-E699 WeakPolarHBondContact CE2-O 3.3Å; F439-E699 HydrophobicContact CG-CG 4.43Å; K442-E699 WeakPolarHBondContact CE-OE1 3.39Å; K442-E699 VanDerWaalsContact CE-OE2 3.31Å; K442-E699 WeakPolarHBondContact CE-OE2 3.44Å; K442-E699 IonicContact NZ-OE1 3.4Å; K442-E699 PolarHBondContact NZ-OE1 2.66Å; K442-E699 IonicContact NZ-OE2 2.94Å; K442-E699 PolarHBondContact NZ-OE2 3.33Å; F695-E699 WeakPolarHBondContact CA-OE2 3.4Å; F695-E699 HydrophobicContact CB-CB 3.89Å; F695-E699 HydrophobicContact CD1-CB 3.95Å; F695-E699 HydrophobicContact CG-CB 4.38Å; D696-E699 PolarHBondContact N-OE2 2.73Å; D696-E699 WeakPolarHBondContact OD1-CB 3.25Å; D696-E699 WeakPolarHBondContact OD1-CG 3.48Å; D696-E699 PolarHBondContact OD1-N 2.81Å; E699-L702 PolarHBondContact O-N 2.93Å; E699-L703 VanDerWaalsContact O-CB 3.3Å; E699-L703 WeakPolarHBondContact O-CB 3.15Å; E699-L703 PolarHBondContact O-N 3.49Å
700	L	91.5	Very high	83.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64	-42.6	176.6	-179.5	63.8	0	0	0	110.8	L585 I588 I589 L692 F695 D696 L702 L703 M704	L585-L700 HydrophobicContact CB-CD2 4.15Å; L585-L700 HydrophobicContact CD2-CD2 3.94Å; L585-L700 HydrophobicContact CD2-CG 4.19Å; I588-L700 HydrophobicContact CB-CD2 4.08Å; I588-L700 HydrophobicContact CG2-CD2 3.85Å; I589-L700 HydrophobicContact CG2-CD2 3.61Å; L692-L700 HydrophobicContact CD2-CD1 3.88Å; F695-L700 HydrophobicContact CB-CB 4.32Å; D696-L700 WeakPolarHBondContact O-CB 3.4Å; D696-L700 PolarHBondContact O-N 3.35Å; L700-L702 VanDerWaalsContact C-N 3.33Å; L700-L703 HydrophobicContact CD1-CD2 4.29Å; L700-L703 PolarHBondContact O-N 2.74Å; L700-M704 HydrophobicContact CD1-CG 4.03Å; L700-M704 HydrophobicContact CD1-SD 3.64Å; L700-M704 HydrophobicContact CD2-SD 4.13Å; L700-M704 HydrophobicContact CG-CG 4.41Å; L700-M704 HydrophobicContact CG-SD 3.69Å; L700-M704 WeakPolarHBondContact O-CB 3.46Å; L700-M704 WeakPolarHBondContact O-CG 3.27Å; L700-M704 PolarHBondContact O-N 2.79Å
701	E	91.5	Very high	83.8	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.4	-47	172.7	-168.4	-168.3	-163.9	0	0	110.6	R582 L585 E697 N698 L703 M704 C705 Q753 S758 S759	R582-E701 IonicContact CZ-OE2 3.47Å; R582-E701 IonicContact NH1-OE2 3.41Å; R582-E701 PolarHBondContact NH1-OE2 3.04Å; R582-E701 IonicContact NH2-OE2 3.6Å; R582-E701 PolarHBondContact NH2-OE2 3.47Å; L585-E701 HydrophobicContact CD1-CB 3.69Å; L585-E701 HydrophobicContact CD1-CG 4.22Å; E697-E701 PolarHBondContact O-N 3.2Å; E697-E701 VanDerWaalsContact O-N 3.11Å; N698-E701 PolarHBondContact O-N 2.99Å; E701-L703 VanDerWaalsContact C-N 3.31Å; E701-L703 PolarHBondContact O-N 3.22Å; E701-M704 PolarHBondContact O-N 3.17Å; E701-C705 HydrophobicContact CG-CB 4.31Å; E701-C705 WeakPolarHBondContact O-CA 3.48Å; E701-C705 WeakPolarHBondContact O-CB 3.48Å; E701-C705 PolarHBondContact O-N 3.12Å; E701-Q753 PolarHBondContact OE2-NE2 2.8Å; E701-S758 WeakPolarHBondContact OE1-CA 3.35Å; E701-S758 WeakPolarHBondContact OE1-CB 3.4Å; E701-S758 PolarHBondContact OE1-OG 3.32Å; E701-S759 PolarHBondContact OE1-N 2.67Å; E701-S759 PolarHBondContact OE2-N 3.02Å
702	L	88	Confident	83.7	Confident	9 Å²	9	21.8 Å²	21.8	5%	0.047	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-37.5	-179.4	-170.7	61.7	0	0	0	112	F439 N698 E699 L700 G706 T707 E746 A749	F439-L702 HydrophobicContact CD1-CD2 3.93Å; F439-L702 HydrophobicContact CE1-CD2 3.41Å; F439-L702 VanDerWaalsContact CE1-CD2 3.41Å; F439-L702 HydrophobicContact CE1-CG 3.86Å; F439-L702 HydrophobicContact CE2-CB 4.36Å; F439-L702 HydrophobicContact CE2-CD2 4.29Å; F439-L702 HydrophobicContact CZ-CB 3.92Å; F439-L702 HydrophobicContact CZ-CD2 3.61Å; F439-L702 HydrophobicContact CZ-CG 3.69Å; N698-L702 WeakPolarHBondContact O-CB 3.45Å; N698-L702 PolarHBondContact O-N 3.41Å; E699-L702 PolarHBondContact O-N 2.93Å; L700-L702 VanDerWaalsContact C-N 3.33Å; L702-G706 WeakPolarHBondContact O-CA 3.35Å; L702-G706 PolarHBondContact O-N 2.85Å; L702-T707 HydrophobicContact CD1-CG2 3.67Å; L702-E746 HydrophobicContact CD2-CG 3.93Å; L702-A749 HydrophobicContact CD1-CB 4Å
703	L	90.1	Very high	83.2	Confident	22 Å²	22	26 Å²	26	12%	0.115	16%	0.158	C	C	.	.	H	α-helix	trans	-65.1	-46.2	174.6	177.4	72.6	0	0	0	111.9	V443 F446 L563 L692 F695 E699 L700 E701	V443-L703 HydrophobicContact CG1-CD1 4.43Å; V443-L703 HydrophobicContact CG2-CD1 4.12Å; F446-L703 HydrophobicContact CD1-CD1 4.13Å; F446-L703 HydrophobicContact CD1-CD2 4.3Å; F446-L703 HydrophobicContact CE1-CD1 4.3Å; F446-L703 HydrophobicContact CE1-CD2 4.14Å; F446-L703 HydrophobicContact CZ-CD2 4.34Å; L563-L703 HydrophobicContact CD2-CD1 4.44Å; L563-L703 HydrophobicContact CD2-CD2 3.81Å; L563-L703 HydrophobicContact CD2-CG 3.68Å; L692-L703 HydrophobicContact CD2-CD2 3.94Å; F695-L703 HydrophobicContact CD2-CD2 3.75Å; F695-L703 HydrophobicContact CE2-CD2 3.45Å; F695-L703 VanDerWaalsContact CE2-CD2 3.45Å; F695-L703 HydrophobicContact CG-CD2 4.43Å; F695-L703 HydrophobicContact CZ-CD1 4.27Å; F695-L703 HydrophobicContact CZ-CD2 3.86Å; E699-L703 VanDerWaalsContact O-CB 3.3Å; E699-L703 WeakPolarHBondContact O-CB 3.15Å; E699-L703 PolarHBondContact O-N 3.49Å; L700-L703 HydrophobicContact CD1-CD2 4.29Å; L700-L703 PolarHBondContact O-N 2.74Å; E701-L703 VanDerWaalsContact C-N 3.31Å; E701-L703 PolarHBondContact O-N 3.22Å
704	M	90.7	Very high	83.4	Confident	2 Å²	2	27 Å²	27	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-79.7	-47.4	-174	-73.5	176.2	46.2	0	0	112.8	V559 L563 V576 F580 L585 L700 E701	V559-M704 HydrophobicContact CG1-CE 3.48Å; V559-M704 VanDerWaalsContact CG1-CE 3.48Å; V559-M704 HydrophobicContact CG1-CG 4.45Å; V559-M704 HydrophobicContact CG1-SD 4.15Å; V559-M704 HydrophobicContact CG2-CE 4.35Å; L563-M704 HydrophobicContact CD1-CG 4.34Å; L563-M704 HydrophobicContact CD2-CG 3.93Å; L563-M704 HydrophobicContact CG-CG 4.4Å; V576-M704 HydrophobicContact CG2-CB 4.42Å; V576-M704 PolarHBondContact N-O 3.16Å; F580-M704 HydrophobicContact CD2-CE 3.97Å; F580-M704 HydrophobicContact CE2-CE 3.5Å; F580-M704 HydrophobicContact CZ-CE 4.34Å; L585-M704 HydrophobicContact CD2-CE 4.46Å; L585-M704 HydrophobicContact CD2-SD 4.3Å; L700-M704 HydrophobicContact CD1-CG 4.03Å; L700-M704 HydrophobicContact CD1-SD 3.64Å; L700-M704 HydrophobicContact CD2-SD 4.13Å; L700-M704 HydrophobicContact CG-CG 4.41Å; L700-M704 HydrophobicContact CG-SD 3.69Å; L700-M704 WeakPolarHBondContact O-CB 3.46Å; L700-M704 WeakPolarHBondContact O-CG 3.27Å; L700-M704 PolarHBondContact O-N 2.79Å; E701-M704 PolarHBondContact O-N 3.17Å
705	C	85.7	Confident	83.7	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-98.2	-16	-170.1	-58.9	0	0	0	0	111.8	V576 A578 E701 Q760	V576-C705 WeakPolarHBondContact O-CA 3.5Å; V576-C705 PolarHBondContact O-SG 2.78Å; A578-C705 PolarHBondContact O-SG 3.19Å; E701-C705 HydrophobicContact CG-CB 4.31Å; E701-C705 WeakPolarHBondContact O-CA 3.48Å; E701-C705 WeakPolarHBondContact O-CB 3.48Å; E701-C705 PolarHBondContact O-N 3.12Å; C705-Q760 HydrophobicContact CB-CG 4.34Å; C705-Q760 PolarHBondContact O-NE2 2.9Å
706	G	75.9	Confident	83.9	Confident	4 Å²	4	32.7 Å²	32.7	4%	0.041	19%	0.185	C	C	.	.			trans	71.2	-173.7	179.6	0	0	0	0	0	113.6	L702	L702-G706 WeakPolarHBondContact O-CA 3.35Å; L702-G706 PolarHBondContact O-N 2.85Å
707	T	68	Low	84.1	Confident	38 Å²	38	34.4 Å²	34.4	23%	0.233	20%	0.204	C	C	.	.			trans	-87.8	126.2	168.9	57.6	0	0	0	0	108	L702 Q745 E746 A749	L702-T707 HydrophobicContact CD1-CG2 3.67Å; T707-Q745 HydrophobicContact CG2-CB 4.4Å; T707-Q745 WeakPolarHBondContact CG2-O 3.31Å; T707-E746 VanDerWaalsContact CG2-CA 3.49Å; T707-E746 HydrophobicContact CG2-CB 4.16Å; T707-E746 HydrophobicContact CG2-CG 4.46Å; T707-A749 HydrophobicContact CG2-CB 3.83Å
708	G	65	Low	84.2	Confident	16 Å²	16	36.5 Å²	36.5	17%	0.165	21%	0.214	C	C	.	.			trans	-59	163.8	165.8	0	0	0	0	0	111.4	I710 Q745	G708-I710 PolarHBondContact O-N 3.28Å; G708-Q745 PolarHBondContact O-NE2 3.4Å
709	D	72.8	Confident	84.6	Confident	153 Å²	153	36.1 Å²	36.1	82%	0.818	21%	0.214	S	C	*	.			trans	-78	75.9	163.6	-168.8	14.2	0	0	0	108.6	S711	D709-S711 PolarHBondContact O-N 3.01Å
710	I	82.8	Confident	84.8	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.021	23%	0.23	C	C	.	.			trans	-72.1	106.2	-179.1	-59.5	171.6	0	0	0	108.4	G708 V712 L748 A749 L752 F766	G708-I710 PolarHBondContact O-N 3.28Å; I710-V712 PolarHBondContact O-N 3.22Å; I710-L748 HydrophobicContact CB-CB 4.19Å; I710-L748 HydrophobicContact CB-CD1 4.33Å; I710-L748 HydrophobicContact CD1-CB 3.87Å; I710-L748 HydrophobicContact CG2-CB 4.18Å; I710-L748 HydrophobicContact CG2-CD1 4.35Å; I710-A749 HydrophobicContact CD1-CB 4.11Å; I710-L752 HydrophobicContact CD1-CB 4.41Å; I710-L752 HydrophobicContact CD1-CD2 4.2Å; I710-F766 HydrophobicContact CG2-CE2 3.76Å; I710-F766 HydrophobicContact CG2-CZ 3.92Å
711	S	82.6	Confident	84.9	Confident	45 Å²	45	41 Å²	41	32%	0.315	25%	0.245	S	C	.	.			trans	-77.1	115.9	173.7	172.7	0	0	0	0	110.6	D709 S713 D714 F715	D709-S711 PolarHBondContact O-N 3.01Å; S711-S713 PolarHBondContact O-N 3Å; S711-S713 PolarHBondContact OG-N 3.17Å; S711-S713 PolarHBondContact OG-OG 2.87Å; S711-D714 PolarHBondContact O-N 3.38Å; S711-D714 PolarHBondContact OG-N 3.12Å; S711-D714 VanDerWaalsContact OG-N 3.16Å; S711-F715 PolarHBondContact O-N 3.03Å
712	V	86.5	Confident	84.8	Confident	28 Å²	28	43.7 Å²	43.7	17%	0.17	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-30.3	175	-180	0	0	0	0	111.6	I710 F715 K716 V740 S741 L748	I710-V712 PolarHBondContact O-N 3.22Å; V712-F715 PolarHBondContact O-N 2.97Å; V712-K716 WeakPolarHBondContact O-CB 3.44Å; V712-K716 PolarHBondContact O-N 2.91Å; V712-V740 HydrophobicContact CG1-CG1 3.83Å; V712-V740 HydrophobicContact CG2-CG1 4.25Å; V712-S741 WeakPolarHBondContact CG1-OG 3.38Å; V712-L748 HydrophobicContact CG2-CD1 3.78Å; V712-L748 HydrophobicContact CG2-CD2 4.03Å
713	S	79.4	Confident	84.9	Confident	90 Å²	90	44.9 Å²	44.9	63%	0.629	28%	0.275	S	S	*	.	H	α-helix	trans	-68.6	-40.7	174	54.6	0	0	0	0	112.2	S711 F715 K716 A717	S711-S713 PolarHBondContact O-N 3Å; S711-S713 PolarHBondContact OG-N 3.17Å; S711-S713 PolarHBondContact OG-OG 2.87Å; S713-F715 VanDerWaalsContact C-N 3.34Å; S713-K716 PolarHBondContact O-N 3.46Å; S713-A717 WeakPolarHBondContact O-CB 3.39Å; S713-A717 PolarHBondContact O-N 2.64Å
714	D	86.4	Confident	84.7	Confident	42 Å²	42	45.3 Å²	45.3	23%	0.225	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-41.6	174.2	-174.3	51.1	0	0	0	111.1	S711 A717 H718 F766	S711-D714 PolarHBondContact O-N 3.38Å; S711-D714 PolarHBondContact OG-N 3.12Å; S711-D714 VanDerWaalsContact OG-N 3.16Å; D714-A717 PolarHBondContact O-N 3.12Å; D714-H718 PolarHBondContact O-N 3.23Å; D714-H718 PolarHBondContact O-ND1 2.82Å; D714-H718 IonicContact OD1-CE1 3.11Å; D714-H718 PolarHBondContact OD1-CE1 2.85Å; D714-H718 IonicContact OD1-ND1 2.64Å; D714-H718 PolarHBondContact OD1-ND1 3.38Å; D714-F766 HydrophobicContact CB-CD2 4.35Å; D714-F766 WeakPolarHBondContact OD2-CD2 3.29Å; D714-F766 PolarHBondContact OD2-N 3.01Å
715	F	91.8	Very high	84.7	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-52.5	175.6	-170.7	-172.6	0	0	0	111.4	S711 V712 S713 A717 H718 A719 W737 V740 L751 F766 F773	S711-F715 PolarHBondContact O-N 3.03Å; V712-F715 PolarHBondContact O-N 2.97Å; S713-F715 VanDerWaalsContact C-N 3.34Å; F715-A717 VanDerWaalsContact C-N 3.27Å; F715-A717 PolarHBondContact O-N 3.02Å; F715-H718 PolarHBondContact O-N 3.34Å; F715-A719 HydrophobicContact CD2-CB 4.15Å; F715-A719 HydrophobicContact CE2-CB 4.1Å; F715-A719 VanDerWaalsContact O-CB 3.29Å; F715-A719 WeakPolarHBondContact O-CB 2.99Å; F715-A719 PolarHBondContact O-N 3.44Å; F715-W737 HydrophobicContact CB-CZ3 4.27Å; F715-W737 HydrophobicContact CD1-CH2 4.23Å; F715-W737 AromaticContact CD1-CZ3 3.78Å; F715-W737 HydrophobicContact CD1-CZ3 3.78Å; F715-W737 AromaticContact CD2-CH2 3.93Å; F715-W737 HydrophobicContact CD2-CH2 3.93Å; F715-W737 HydrophobicContact CD2-CZ3 4.27Å; F715-W737 HydrophobicContact CE1-CH2 4.38Å; F715-W737 HydrophobicContact CE1-CZ3 4.12Å; F715-W737 HydrophobicContact CE2-CH2 4.09Å; F715-W737 AromaticContact CG-CH2 3.98Å; F715-W737 HydrophobicContact CG-CH2 3.98Å; F715-W737 AromaticContact CG-CZ3 3.85Å; F715-W737 HydrophobicContact CG-CZ3 3.85Å; F715-W737 HydrophobicContact CZ-CH2 4.32Å; F715-V740 HydrophobicContact CD1-CG1 3.81Å; F715-V740 HydrophobicContact CE1-CG1 3.95Å; F715-L751 HydrophobicContact CE1-CD2 3.83Å; F715-L751 HydrophobicContact CZ-CD2 4.4Å; F715-F766 VanDerWaalsContact CA-CD2 3.4Å; F715-F766 HydrophobicContact CB-CD1 4.39Å; F715-F766 HydrophobicContact CB-CD2 3.77Å; F715-F766 HydrophobicContact CB-CE1 4.07Å; F715-F766 HydrophobicContact CB-CE2 3.36Å; F715-F766 HydrophobicContact CB-CG 4.27Å; F715-F766 HydrophobicContact CB-CZ 3.54Å; F715-F766 HydrophobicContact CD1-CE1 4.2Å; F715-F766 HydrophobicContact CD1-CE2 4.44Å; F715-F766 AromaticContact CD1-CZ 3.8Å; F715-F766 HydrophobicContact CD1-CZ 3.8Å; F715-F766 AromaticContact CD2-CD1 3.48Å; F715-F766 HydrophobicContact CD2-CD1 3.48Å; F715-F766 VanDerWaalsContact CD2-CD1 3.48Å; F715-F766 HydrophobicContact CD2-CD2 4.41Å; F715-F766 AromaticContact CD2-CE1 3.14Å; F715-F766 HydrophobicContact CD2-CE1 3.14Å; F715-F766 HydrophobicContact CD2-CE2 4.12Å; F715-F766 HydrophobicContact CD2-CG 4.13Å; F715-F766 AromaticContact CD2-CZ 3.5Å; F715-F766 HydrophobicContact CD2-CZ 3.5Å; F715-F766 HydrophobicContact CE1-CZ 4.39Å; F715-F766 HydrophobicContact CE2-CD1 4.06Å; F715-F766 AromaticContact CE2-CE1 3.53Å; F715-F766 HydrophobicContact CE2-CE1 3.53Å; F715-F766 HydrophobicContact CE2-CZ 4.13Å; F715-F766 HydrophobicContact CG-CD1 4.12Å; F715-F766 HydrophobicContact CG-CD2 4.32Å; F715-F766 AromaticContact CG-CE1 3.55Å; F715-F766 HydrophobicContact CG-CE1 3.55Å; F715-F766 AromaticContact CG-CE2 3.74Å; F715-F766 HydrophobicContact CG-CE2 3.74Å; F715-F766 HydrophobicContact CG-CG 4.49Å; F715-F766 AromaticContact CG-CZ 3.32Å; F715-F766 HydrophobicContact CG-CZ 3.32Å; F715-F766 HydrophobicContact CZ-CE1 4.21Å; F715-F773 AromaticContact CE2-CD1 3.58Å; F715-F773 HydrophobicContact CE2-CD1 3.58Å; F715-F773 AromaticContact CE2-CD2 3.78Å; F715-F773 HydrophobicContact CE2-CD2 3.78Å; F715-F773 AromaticContact CE2-CE1 3.57Å; F715-F773 HydrophobicContact CE2-CE1 3.57Å; F715-F773 AromaticContact CE2-CE2 3.73Å; F715-F773 HydrophobicContact CE2-CE2 3.73Å; F715-F773 AromaticContact CE2-CG 3.7Å; F715-F773 HydrophobicContact CE2-CG 3.7Å; F715-F773 AromaticContact CE2-CZ 3.64Å; F715-F773 HydrophobicContact CE2-CZ 3.64Å; F715-F773 HydrophobicContact CZ-CD1 4.19Å; F715-F773 HydrophobicContact CZ-CD2 4.33Å; F715-F773 AromaticContact CZ-CE1 3.68Å; F715-F773 HydrophobicContact CZ-CE1 3.68Å; F715-F773 AromaticContact CZ-CE2 3.8Å; F715-F773 HydrophobicContact CZ-CE2 3.8Å; F715-F773 HydrophobicContact CZ-CG 4.5Å; F715-F773 AromaticContact CZ-CZ 3.46Å; F715-F773 HydrophobicContact CZ-CZ 3.46Å; F715-F773 VanDerWaalsContact CZ-CZ 3.46Å
716	K	88.8	Confident	84.9	Confident	123 Å²	123	56.9 Å²	56.9	54%	0.535	34%	0.339	S	S	.	.	H	α-helix	trans	-64.2	-31.3	-179.4	-171.4	171.7	-176.6	179.5	0	113.2	V712 S713 W737	V712-K716 WeakPolarHBondContact O-CB 3.44Å; V712-K716 PolarHBondContact O-N 2.91Å; S713-K716 PolarHBondContact O-N 3.46Å; K716-W737 VanDerWaalsContact CA-CH2 3.45Å; K716-W737 HydrophobicContact CB-CD2 4.19Å; K716-W737 HydrophobicContact CB-CE3 3.9Å; K716-W737 HydrophobicContact CB-CH2 3.96Å; K716-W737 HydrophobicContact CB-CZ2 4.22Å; K716-W737 HydrophobicContact CB-CZ3 3.78Å; K716-W737 HydrophobicContact CD-CB 4.48Å; K716-W737 HydrophobicContact CD-CD2 3.91Å; K716-W737 HydrophobicContact CD-CE3 4.23Å; K716-W737 HydrophobicContact CD-CG 3.99Å; K716-W737 HydrophobicContact CG-CD2 3.84Å; K716-W737 HydrophobicContact CG-CE3 4.08Å; K716-W737 HydrophobicContact CG-CG 4.36Å; K716-W737 HydrophobicContact CG-CH2 4.31Å; K716-W737 HydrophobicContact CG-CZ2 4.06Å; K716-W737 HydrophobicContact CG-CZ3 4.31Å
717	A	88.8	Confident	85.6	Confident	74 Å²	74	59.1 Å²	59.1	61%	0.612	35%	0.348	S	S	*	.	H	α-helix	trans	-71.3	-29.7	179.1	0	0	0	0	0	113.3	S713 D714 F715	S713-A717 WeakPolarHBondContact O-CB 3.39Å; S713-A717 PolarHBondContact O-N 2.64Å; D714-A717 PolarHBondContact O-N 3.12Å; F715-A717 VanDerWaalsContact C-N 3.27Å; F715-A717 PolarHBondContact O-N 3.02Å
718	H	89.4	Confident	86.8	Confident	69 Å²	69	57.3 Å²	57.3	32%	0.319	34%	0.337	S	S	.	.	H	α-helix	trans	-113.6	-4.8	-172.6	-60.8	103.5	0	0	0	114.3	D714 F715 F766 A767	D714-H718 PolarHBondContact O-N 3.23Å; D714-H718 PolarHBondContact O-ND1 2.82Å; D714-H718 IonicContact OD1-CE1 3.11Å; D714-H718 PolarHBondContact OD1-CE1 2.85Å; D714-H718 IonicContact OD1-ND1 2.64Å; D714-H718 PolarHBondContact OD1-ND1 3.38Å; F715-H718 PolarHBondContact O-N 3.34Å; H718-F766 HydrophobicContact CB-CB 3.72Å; H718-A767 WeakPolarHBondContact NE2-CB 3.43Å
719	A	92.3	Very high	88	Confident	17 Å²	17	63.1 Å²	63.1	14%	0.14	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-77.2	132.1	171.5	0	0	0	0	0	111.5	F715 W737 F773 I775	F715-A719 HydrophobicContact CD2-CB 4.15Å; F715-A719 HydrophobicContact CE2-CB 4.1Å; F715-A719 VanDerWaalsContact O-CB 3.29Å; F715-A719 WeakPolarHBondContact O-CB 2.99Å; F715-A719 PolarHBondContact O-N 3.44Å; A719-W737 HydrophobicContact CB-CH2 3.75Å; A719-W737 HydrophobicContact CB-CZ2 3.79Å; A719-F773 CarbonylContact C-O 3.48Å; A719-F773 WeakPolarHBondContact CA-O 3.45Å; A719-F773 HydrophobicContact CB-CD1 4.1Å; A719-I775 HydrophobicContact CB-CD1 4.28Å
720	V	92.6	Very high	88.8	Confident	69 Å²	69	59.7 Å²	59.7	42%	0.418	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.1	178.6	-178.7	0	0	0	0	109.5	V722 F773 Q774 I775	V720-V722 HydrophobicContact CG1-CG2 4.05Å; V720-F773 PolarHBondContact N-O 3.39Å; V720-Q774 HydrophobicContact CB-CG 4.36Å; V720-Q774 CarbonylContact O-C 3.6Å; V720-Q774 VanDerWaalsContact O-CA 3.3Å; V720-Q774 WeakPolarHBondContact O-CA 3.21Å; V720-I775 PolarHBondContact O-N 2.97Å
721	V	93.8	Very high	89.1	Confident	53 Å²	53	63.7 Å²	63.7	32%	0.321	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122	174.2	-176.1	0	0	0	0	109.5	F728 M733 I775	V721-F728 HydrophobicContact CG1-CE1 3.92Å; V721-M733 HydrophobicContact CG1-CG 4.13Å; V721-M733 HydrophobicContact CG1-SD 3.84Å; V721-M733 HydrophobicContact CG2-CG 4.36Å; V721-M733 HydrophobicContact CG2-SD 3.79Å; V721-I775 CarbonylContact C-O 3.57Å; V721-I775 WeakPolarHBondContact CA-O 3.19Å; V721-I775 HydrophobicContact CG2-CB 4.46Å
722	V	90.3	Very high	89.6	Confident	56 Å²	56	61.5 Å²	61.5	34%	0.339	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.1	-176.5	-172	0	0	0	0	110.4	V720 Q774 I775 I776 A777	V720-V722 HydrophobicContact CG1-CG2 4.05Å; V722-Q774 HydrophobicContact CG2-CB 4.46Å; V722-Q774 HydrophobicContact CG2-CG 4.23Å; V722-I775 PolarHBondContact N-O 2.91Å; V722-I776 HydrophobicContact CB-CD1 4.12Å; V722-I776 HydrophobicContact CB-CG1 4.01Å; V722-I776 HydrophobicContact CG1-CD1 4.31Å; V722-I776 HydrophobicContact CG2-CG1 4.44Å; V722-A777 PolarHBondContact O-N 2.96Å
723	G	89.2	Confident	89.9	Confident	33 Å²	33	60.7 Å²	60.7	34%	0.34	33%	0.329	S	S	.	.	S	Bend	trans	71.7	-157.4	177	0	0	0	0	0	114	R729	G723-R729 PolarHBondContact O-NE 2.85Å; G723-R729 PolarHBondContact O-NH2 3.45Å
724	G	86.7	Confident	90.3	Very high	31 Å²	31	62.8 Å²	62.8	32%	0.32	32%	0.324	S	S	.	.			trans	87.3	148.4	177.8	0	0	0	0	0	115.3	R729	G724-R729 PolarHBondContact O-NE 3.12Å
725	S	89.4	Confident	90.4	Very high	63 Å²	63	63.2 Å²	63.2	44%	0.441	32%	0.322	S	S	.	.			trans	-66.1	169.8	173.8	66.9	0	0	0	0	111.7	H727 F728 R729	S725-H727 PolarHBondContact O-N 3.44Å; S725-H727 PolarHBondContact OG-N 3.01Å; S725-F728 WeakPolarHBondContact O-CB 3.3Å; S725-F728 PolarHBondContact O-N 3.1Å; S725-F728 VanDerWaalsContact O-N 3.13Å; S725-F728 PolarHBondContact OG-N 3.48Å; S725-R729 PolarHBondContact O-N 3.03Å
726	W	91.1	Very high	90.5	Very high	183 Å²	183	63 Å²	63	69%	0.693	32%	0.321	S	S	*	.	H	α-helix	trans	-55	-42.4	171	-177.8	90	0	0	0	111.8	F728 R729 E730	W726-F728 VanDerWaalsContact C-N 3.33Å; W726-F728 PolarHBondContact O-N 3.04Å; W726-R729 PolarHBondContact O-N 3.2Å; W726-E730 HydrophobicContact CD2-CB 4.39Å; W726-E730 HydrophobicContact CD2-CG 4.22Å; W726-E730 HydrophobicContact CG-CG 4.45Å; W726-E730 HydrophobicContact CH2-CB 4.47Å; W726-E730 HydrophobicContact CZ2-CB 4.16Å; W726-E730 HydrophobicContact CZ2-CG 4.02Å; W726-E730 WeakPolarHBondContact O-CB 3.2Å; W726-E730 PolarHBondContact O-N 3.41Å
727	H	89.5	Confident	90.5	Very high	51 Å²	51	58.1 Å²	58.1	24%	0.236	30%	0.299	C	S	.	.	H	α-helix	trans	-57.8	-44.8	175.7	178.9	75	0	0	0	111.9	S725 K731 V732 Y799	S725-H727 PolarHBondContact O-N 3.44Å; S725-H727 PolarHBondContact OG-N 3.01Å; H727-K731 WeakPolarHBondContact O-CA 3.27Å; H727-K731 WeakPolarHBondContact O-CB 3.38Å; H727-K731 PolarHBondContact O-N 3.18Å; H727-V732 PolarHBondContact O-N 3.36Å; H727-Y799 PolarHBondContact NE2-O 3.09Å
728	F	93.7	Very high	90.1	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-62.4	-54.4	176.7	-178.9	-94	0	0	0	111.9	V721 S725 W726 E730 V732 M733 I775 A777 L796 T798	V721-F728 HydrophobicContact CG1-CE1 3.92Å; S725-F728 WeakPolarHBondContact O-CB 3.3Å; S725-F728 PolarHBondContact O-N 3.1Å; S725-F728 VanDerWaalsContact O-N 3.13Å; S725-F728 PolarHBondContact OG-N 3.48Å; W726-F728 VanDerWaalsContact C-N 3.33Å; W726-F728 PolarHBondContact O-N 3.04Å; F728-E730 PolarHBondContact O-N 3.04Å; F728-V732 HydrophobicContact CD2-CB 4.04Å; F728-V732 HydrophobicContact CD2-CG1 4.07Å; F728-V732 HydrophobicContact CD2-CG2 4.39Å; F728-V732 HydrophobicContact CE2-CG1 4.14Å; F728-V732 WeakPolarHBondContact O-CB 3.19Å; F728-V732 PolarHBondContact O-N 3.5Å; F728-M733 HydrophobicContact CD1-CE 4.37Å; F728-M733 HydrophobicContact CD1-CG 4.43Å; F728-M733 HydrophobicContact CD2-CE 4.44Å; F728-M733 HydrophobicContact CE1-CE 3.66Å; F728-M733 HydrophobicContact CE1-CG 4.25Å; F728-M733 HydrophobicContact CE1-SD 3.96Å; F728-M733 HydrophobicContact CE2-CE 3.73Å; F728-M733 HydrophobicContact CZ-CE 3.3Å; F728-M733 HydrophobicContact CZ-SD 4.15Å; F728-M733 WeakPolarHBondContact O-CG 3.12Å; F728-M733 PolarHBondContact O-N 3.31Å; F728-I775 HydrophobicContact CZ-CG2 4.35Å; F728-A777 HydrophobicContact CD1-CB 3.73Å; F728-A777 HydrophobicContact CD2-CB 3.91Å; F728-A777 HydrophobicContact CE1-CB 3.64Å; F728-A777 HydrophobicContact CE2-CB 3.84Å; F728-A777 HydrophobicContact CG-CB 3.85Å; F728-A777 VanDerWaalsContact CZ-CA 3.48Å; F728-A777 HydrophobicContact CZ-CB 3.69Å; F728-L796 HydrophobicContact CE2-CB 4.03Å; F728-L796 HydrophobicContact CE2-CD2 4.25Å; F728-L796 HydrophobicContact CE2-CG 4.39Å; F728-L796 VanDerWaalsContact CE2-O 3.23Å; F728-L796 WeakPolarHBondContact CE2-O 3.27Å; F728-L796 HydrophobicContact CZ-CB 4.17Å; F728-T798 HydrophobicContact CB-CG2 4.31Å; F728-T798 HydrophobicContact CD2-CG2 4.19Å
729	R	90.6	Very high	89.8	Confident	137 Å²	137	54.7 Å²	54.7	52%	0.517	28%	0.276	S	S	.	.	I	π-helix	trans	-65.6	-36.6	-174.3	-67.2	-172.2	-168.5	-144.6	4	113.3	G723 G724 S725 W726 M733	G723-R729 PolarHBondContact O-NE 2.85Å; G723-R729 PolarHBondContact O-NH2 3.45Å; G724-R729 PolarHBondContact O-NE 3.12Å; S725-R729 PolarHBondContact O-N 3.03Å; W726-R729 PolarHBondContact O-N 3.2Å; R729-M733 WeakPolarHBondContact O-CB 3.45Å
730	E	88.4	Confident	89.6	Confident	82 Å²	82	53.9 Å²	53.9	38%	0.383	27%	0.269	S	S	.	.	I	π-helix	trans	-93.4	-44.9	-176.7	-72.5	-60.5	150.8	0	0	113	W726 F728 R734	W726-E730 HydrophobicContact CD2-CB 4.39Å; W726-E730 HydrophobicContact CD2-CG 4.22Å; W726-E730 HydrophobicContact CG-CG 4.45Å; W726-E730 HydrophobicContact CH2-CB 4.47Å; W726-E730 HydrophobicContact CZ2-CB 4.16Å; W726-E730 HydrophobicContact CZ2-CG 4.02Å; W726-E730 WeakPolarHBondContact O-CB 3.2Å; W726-E730 PolarHBondContact O-N 3.41Å; F728-E730 PolarHBondContact O-N 3.04Å; E730-R734 WeakPolarHBondContact O-CB 3.2Å; E730-R734 PolarHBondContact O-NH1 2.65Å; E730-R734 PolarHBondContact O-NH2 3.16Å; E730-R734 IonicContact OE2-NH2 2.72Å; E730-R734 PolarHBondContact OE2-NH2 2.97Å; E730-R734 VanDerWaalsContact OE2-NH2 3.11Å
731	K	90.7	Very high	89.1	Confident	87 Å²	87	54.5 Å²	54.5	38%	0.378	28%	0.276	S	S	.	.	I	π-helix	trans	-93.8	-58.1	-174.7	-67.8	-171.7	177.8	177.3	0	112.2	H727 M733 R734 W735	H727-K731 WeakPolarHBondContact O-CA 3.27Å; H727-K731 WeakPolarHBondContact O-CB 3.38Å; H727-K731 PolarHBondContact O-N 3.18Å; K731-M733 VanDerWaalsContact C-N 3.32Å; K731-M733 PolarHBondContact O-N 3.4Å; K731-R734 WeakPolarHBondContact O-CB 3.42Å; K731-R734 PolarHBondContact O-N 3.36Å; K731-R734 VanDerWaalsContact O-N 3.08Å; K731-W735 HydrophobicContact CB-CH2 4.08Å; K731-W735 HydrophobicContact CB-CZ2 4.1Å; K731-W735 HydrophobicContact CB-CZ3 4.32Å; K731-W735 HydrophobicContact CD-CH2 4.34Å; K731-W735 HydrophobicContact CD-CZ2 4.33Å; K731-W735 PolarHBondContact O-N 2.89Å
732	V	92.1	Very high	88.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-60.8	-41.9	-175.7	-177.6	0	0	0	0	111.1	H727 F728 R734 W735 F736 L796 Y799 V805	H727-V732 PolarHBondContact O-N 3.36Å; F728-V732 HydrophobicContact CD2-CB 4.04Å; F728-V732 HydrophobicContact CD2-CG1 4.07Å; F728-V732 HydrophobicContact CD2-CG2 4.39Å; F728-V732 HydrophobicContact CE2-CG1 4.14Å; F728-V732 WeakPolarHBondContact O-CB 3.19Å; F728-V732 PolarHBondContact O-N 3.5Å; V732-R734 PolarHBondContact O-N 2.89Å; V732-W735 HydrophobicContact CG2-CE3 4.35Å; V732-W735 HydrophobicContact CG2-CZ3 4.33Å; V732-W735 PolarHBondContact O-N 3.31Å; V732-F736 WeakPolarHBondContact O-CB 3.2Å; V732-F736 PolarHBondContact O-N 2.99Å; V732-L796 HydrophobicContact CG1-CD2 3.7Å; V732-L796 HydrophobicContact CG1-CG 4.45Å; V732-Y799 HydrophobicContact CG1-CD2 4.12Å; V732-V805 HydrophobicContact CG1-CG2 4.22Å
733	M	92.6	Very high	88	Confident	11 Å²	11	53.1 Å²	53.1	5%	0.054	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-37.5	175.4	-66.5	-61.5	89.7	0	0	113.6	V721 F728 R729 K731 W735 F736 W737 I775 L796	V721-M733 HydrophobicContact CG1-CG 4.13Å; V721-M733 HydrophobicContact CG1-SD 3.84Å; V721-M733 HydrophobicContact CG2-CG 4.36Å; V721-M733 HydrophobicContact CG2-SD 3.79Å; F728-M733 HydrophobicContact CD1-CE 4.37Å; F728-M733 HydrophobicContact CD1-CG 4.43Å; F728-M733 HydrophobicContact CD2-CE 4.44Å; F728-M733 HydrophobicContact CE1-CE 3.66Å; F728-M733 HydrophobicContact CE1-CG 4.25Å; F728-M733 HydrophobicContact CE1-SD 3.96Å; F728-M733 HydrophobicContact CE2-CE 3.73Å; F728-M733 HydrophobicContact CZ-CE 3.3Å; F728-M733 HydrophobicContact CZ-SD 4.15Å; F728-M733 WeakPolarHBondContact O-CG 3.12Å; F728-M733 PolarHBondContact O-N 3.31Å; R729-M733 WeakPolarHBondContact O-CB 3.45Å; K731-M733 VanDerWaalsContact C-N 3.32Å; K731-M733 PolarHBondContact O-N 3.4Å; M733-W735 VanDerWaalsContact C-N 3.34Å; M733-F736 HydrophobicContact CE-CB 4.32Å; M733-F736 PolarHBondContact O-N 2.82Å; M733-W737 PolarHBondContact O-N 3.29Å; M733-I775 HydrophobicContact CE-CG2 3.86Å; M733-I775 HydrophobicContact SD-CG2 3.86Å; M733-L796 HydrophobicContact CE-CD2 3.34Å
734	R	87.8	Confident	87.5	Confident	134 Å²	134	55.2 Å²	55.2	51%	0.506	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-46	175.7	-172.9	-179.6	-61.6	96.6	11	110.1	E730 K731 V732 W737 T738	E730-R734 WeakPolarHBondContact O-CB 3.2Å; E730-R734 PolarHBondContact O-NH1 2.65Å; E730-R734 PolarHBondContact O-NH2 3.16Å; E730-R734 IonicContact OE2-NH2 2.72Å; E730-R734 PolarHBondContact OE2-NH2 2.97Å; E730-R734 VanDerWaalsContact OE2-NH2 3.11Å; K731-R734 WeakPolarHBondContact O-CB 3.42Å; K731-R734 PolarHBondContact O-N 3.36Å; K731-R734 VanDerWaalsContact O-N 3.08Å; V732-R734 PolarHBondContact O-N 2.89Å; R734-W737 PolarHBondContact O-N 3.06Å; R734-T738 PolarHBondContact O-N 3.27Å; R734-T738 PolarHBondContact O-OG1 3.22Å
735	W	89	Confident	87.2	Confident	51 Å²	51	57 Å²	57	19%	0.193	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-48.9	176	-61.3	-29	0	0	0	111.9	K731 V732 M733 W737 T738 V739 Y799 D800 Y802 V805	K731-W735 HydrophobicContact CB-CH2 4.08Å; K731-W735 HydrophobicContact CB-CZ2 4.1Å; K731-W735 HydrophobicContact CB-CZ3 4.32Å; K731-W735 HydrophobicContact CD-CH2 4.34Å; K731-W735 HydrophobicContact CD-CZ2 4.33Å; K731-W735 PolarHBondContact O-N 2.89Å; V732-W735 HydrophobicContact CG2-CE3 4.35Å; V732-W735 HydrophobicContact CG2-CZ3 4.33Å; V732-W735 PolarHBondContact O-N 3.31Å; M733-W735 VanDerWaalsContact C-N 3.34Å; W735-W737 PolarHBondContact O-N 3.42Å; W735-T738 WeakPolarHBondContact O-CB 3.49Å; W735-T738 PolarHBondContact O-N 2.64Å; W735-T738 VanDerWaalsContact O-N 3.07Å; W735-V739 WeakPolarHBondContact O-CG2 3.33Å; W735-V739 PolarHBondContact O-N 3.22Å; W735-Y799 WeakPolarHBondContact CZ3-O 3.39Å; W735-D800 VanDerWaalsContact CH2-O 3.29Å; W735-D800 WeakPolarHBondContact CH2-O 3.22Å; W735-Y802 HydrophobicContact CB-CD2 3.98Å; W735-Y802 HydrophobicContact CG-CD2 4.28Å; W735-V805 HydrophobicContact CB-CB 4.3Å; W735-V805 HydrophobicContact CB-CG1 4.48Å; W735-V805 HydrophobicContact CB-CG2 3.97Å; W735-V805 HydrophobicContact CE3-CG2 3.89Å
736	F	93.2	Very high	86.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-52.2	-51.3	176.3	173.9	-97.5	0	0	0	111.7	V732 M733 T738 V739 V740 I775 L794 L796 V805 L809	V732-F736 WeakPolarHBondContact O-CB 3.2Å; V732-F736 PolarHBondContact O-N 2.99Å; M733-F736 HydrophobicContact CE-CB 4.32Å; M733-F736 PolarHBondContact O-N 2.82Å; F736-T738 VanDerWaalsContact C-N 3.33Å; F736-T738 PolarHBondContact O-N 2.69Å; F736-V739 WeakPolarHBondContact O-CB 3.02Å; F736-V739 PolarHBondContact O-N 2.78Å; F736-V740 HydrophobicContact CD1-CG2 4.2Å; F736-V740 HydrophobicContact CD2-CG2 4.28Å; F736-V740 HydrophobicContact CE1-CG2 3.75Å; F736-V740 HydrophobicContact CE2-CG2 3.84Å; F736-V740 HydrophobicContact CG-CG2 4.45Å; F736-V740 HydrophobicContact CZ-CG2 3.56Å; F736-V740 VanDerWaalsContact O-CG2 3.32Å; F736-V740 WeakPolarHBondContact O-CG2 3.16Å; F736-V740 PolarHBondContact O-N 3.01Å; F736-I775 HydrophobicContact CD1-CD1 3.97Å; F736-I775 HydrophobicContact CE1-CD1 3.42Å; F736-I775 VanDerWaalsContact CE1-CD1 3.42Å; F736-I775 HydrophobicContact CE1-CG1 4.48Å; F736-I775 HydrophobicContact CZ-CD1 4.04Å; F736-L794 HydrophobicContact CD2-CD2 4.38Å; F736-L794 HydrophobicContact CE2-CD2 3.42Å; F736-L794 VanDerWaalsContact CE2-CD2 3.42Å; F736-L794 HydrophobicContact CZ-CD2 3.68Å; F736-L796 HydrophobicContact CB-CD2 4.11Å; F736-L796 HydrophobicContact CD2-CD1 4.4Å; F736-L796 HydrophobicContact CD2-CD2 3.95Å; F736-L796 HydrophobicContact CG-CD2 4.19Å; F736-V805 HydrophobicContact CB-CG1 4.34Å; F736-L809 HydrophobicContact CD2-CD2 3.94Å; F736-L809 HydrophobicContact CE2-CD1 4.26Å; F736-L809 HydrophobicContact CE2-CD2 3.76Å
737	W	88.7	Confident	86.5	Confident	20 Å²	20	49.7 Å²	49.7	8%	0.076	24%	0.243	C	C	.	.	H	α-helix	trans	-67.1	-32.7	179.1	-71.9	117.1	0	0	0	113.2	F715 K716 A719 M733 R734 W735 V740 S741 I775	F715-W737 HydrophobicContact CB-CZ3 4.27Å; F715-W737 HydrophobicContact CD1-CH2 4.23Å; F715-W737 AromaticContact CD1-CZ3 3.78Å; F715-W737 HydrophobicContact CD1-CZ3 3.78Å; F715-W737 AromaticContact CD2-CH2 3.93Å; F715-W737 HydrophobicContact CD2-CH2 3.93Å; F715-W737 HydrophobicContact CD2-CZ3 4.27Å; F715-W737 HydrophobicContact CE1-CH2 4.38Å; F715-W737 HydrophobicContact CE1-CZ3 4.12Å; F715-W737 HydrophobicContact CE2-CH2 4.09Å; F715-W737 AromaticContact CG-CH2 3.98Å; F715-W737 HydrophobicContact CG-CH2 3.98Å; F715-W737 AromaticContact CG-CZ3 3.85Å; F715-W737 HydrophobicContact CG-CZ3 3.85Å; F715-W737 HydrophobicContact CZ-CH2 4.32Å; K716-W737 VanDerWaalsContact CA-CH2 3.45Å; K716-W737 HydrophobicContact CB-CD2 4.19Å; K716-W737 HydrophobicContact CB-CE3 3.9Å; K716-W737 HydrophobicContact CB-CH2 3.96Å; K716-W737 HydrophobicContact CB-CZ2 4.22Å; K716-W737 HydrophobicContact CB-CZ3 3.78Å; K716-W737 HydrophobicContact CD-CB 4.48Å; K716-W737 HydrophobicContact CD-CD2 3.91Å; K716-W737 HydrophobicContact CD-CE3 4.23Å; K716-W737 HydrophobicContact CD-CG 3.99Å; K716-W737 HydrophobicContact CG-CD2 3.84Å; K716-W737 HydrophobicContact CG-CE3 4.08Å; K716-W737 HydrophobicContact CG-CG 4.36Å; K716-W737 HydrophobicContact CG-CH2 4.31Å; K716-W737 HydrophobicContact CG-CZ2 4.06Å; K716-W737 HydrophobicContact CG-CZ3 4.31Å; A719-W737 HydrophobicContact CB-CH2 3.75Å; A719-W737 HydrophobicContact CB-CZ2 3.79Å; M733-W737 PolarHBondContact O-N 3.29Å; R734-W737 PolarHBondContact O-N 3.06Å; W735-W737 PolarHBondContact O-N 3.42Å; W737-V740 HydrophobicContact CE3-CB 4.27Å; W737-V740 HydrophobicContact CE3-CG1 4.25Å; W737-V740 HydrophobicContact CZ3-CG1 4.22Å; W737-S741 WeakPolarHBondContact O-CB 3.28Å; W737-S741 PolarHBondContact O-N 2.92Å; W737-S741 PolarHBondContact O-OG 3.39Å; W737-I775 HydrophobicContact CH2-CD1 4.23Å; W737-I775 HydrophobicContact CZ2-CD1 3.69Å
738	T	81.4	Confident	86.5	Confident	71 Å²	71	47.4 Å²	47.4	44%	0.436	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-43.8	172	-59.9	0	0	0	0	111.3	R734 W735 F736 S741 S742 Y802	R734-T738 PolarHBondContact O-N 3.27Å; R734-T738 PolarHBondContact O-OG1 3.22Å; W735-T738 WeakPolarHBondContact O-CB 3.49Å; W735-T738 PolarHBondContact O-N 2.64Å; W735-T738 VanDerWaalsContact O-N 3.07Å; F736-T738 VanDerWaalsContact C-N 3.33Å; F736-T738 PolarHBondContact O-N 2.69Å; T738-S741 PolarHBondContact O-N 3.34Å; T738-S742 PolarHBondContact O-N 2.89Å; T738-Y802 HydrophobicContact CG2-CD2 4.36Å; T738-Y802 HydrophobicContact CG2-CE2 3.61Å
739	V	83.8	Confident	86.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-53.8	174.6	174.5	0	0	0	0	110	W735 F736 S741 S742 L743 Y802 V805 H806 L809	W735-V739 WeakPolarHBondContact O-CG2 3.33Å; W735-V739 PolarHBondContact O-N 3.22Å; F736-V739 WeakPolarHBondContact O-CB 3.02Å; F736-V739 PolarHBondContact O-N 2.78Å; V739-S741 VanDerWaalsContact C-N 3.27Å; V739-S741 PolarHBondContact O-N 2.83Å; V739-S742 WeakPolarHBondContact O-CA 3.4Å; V739-S742 WeakPolarHBondContact O-CB 3.42Å; V739-S742 PolarHBondContact O-N 3.42Å; V739-S742 PolarHBondContact O-OG 2.76Å; V739-L743 HydrophobicContact CG1-CD2 4.23Å; V739-L743 WeakPolarHBondContact O-CG 3.14Å; V739-L743 PolarHBondContact O-N 2.92Å; V739-L743 VanDerWaalsContact O-N 3.13Å; V739-Y802 HydrophobicContact CG2-CD2 4.04Å; V739-Y802 HydrophobicContact CG2-CE2 3.41Å; V739-Y802 VanDerWaalsContact CG2-CE2 3.41Å; V739-V805 HydrophobicContact CG2-CG1 4.24Å; V739-H806 HydrophobicContact CG1-CB 4.36Å; V739-H806 HydrophobicContact CG2-CB 3.56Å; V739-L809 HydrophobicContact CG1-CD2 3.85Å
740	V	87.4	Confident	86.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.4	-38.7	-179.8	174	0	0	0	0	111.7	V712 F715 F736 W737 S742 L743 L748 L751 L809	V712-V740 HydrophobicContact CG1-CG1 3.83Å; V712-V740 HydrophobicContact CG2-CG1 4.25Å; F715-V740 HydrophobicContact CD1-CG1 3.81Å; F715-V740 HydrophobicContact CE1-CG1 3.95Å; F736-V740 HydrophobicContact CD1-CG2 4.2Å; F736-V740 HydrophobicContact CD2-CG2 4.28Å; F736-V740 HydrophobicContact CE1-CG2 3.75Å; F736-V740 HydrophobicContact CE2-CG2 3.84Å; F736-V740 HydrophobicContact CG-CG2 4.45Å; F736-V740 HydrophobicContact CZ-CG2 3.56Å; F736-V740 VanDerWaalsContact O-CG2 3.32Å; F736-V740 WeakPolarHBondContact O-CG2 3.16Å; F736-V740 PolarHBondContact O-N 3.01Å; W737-V740 HydrophobicContact CE3-CB 4.27Å; W737-V740 HydrophobicContact CE3-CG1 4.25Å; W737-V740 HydrophobicContact CZ3-CG1 4.22Å; V740-S742 PolarHBondContact O-N 3.46Å; V740-L743 PolarHBondContact O-N 3.47Å; V740-L748 HydrophobicContact CG1-CD2 3.71Å; V740-L751 HydrophobicContact CG2-CD2 3.94Å; V740-L809 HydrophobicContact CG2-CD2 4.35Å
741	S	82.5	Confident	86.2	Confident	82 Å²	82	39 Å²	39	57%	0.573	20%	0.198	S	C	*	.	H	α-helix	trans	-68.2	-19.3	174.4	-67.5	0	0	0	0	114.4	V712 W737 T738 V739	V712-S741 WeakPolarHBondContact CG1-OG 3.38Å; W737-S741 WeakPolarHBondContact O-CB 3.28Å; W737-S741 PolarHBondContact O-N 2.92Å; W737-S741 PolarHBondContact O-OG 3.39Å; T738-S741 PolarHBondContact O-N 3.34Å; V739-S741 VanDerWaalsContact C-N 3.27Å; V739-S741 PolarHBondContact O-N 2.83Å
742	S	78.7	Confident	86.2	Confident	65 Å²	65	35 Å²	35	46%	0.455	18%	0.181	S	C	.	.	H	α-helix	trans	-93	-14.5	176.9	76.1	0	0	0	0	113.9	T738 V739 V740	T738-S742 PolarHBondContact O-N 2.89Å; V739-S742 WeakPolarHBondContact O-CA 3.4Å; V739-S742 WeakPolarHBondContact O-CB 3.42Å; V739-S742 PolarHBondContact O-N 3.42Å; V739-S742 PolarHBondContact O-OG 2.76Å; V740-S742 PolarHBondContact O-N 3.46Å
743	L	81.6	Confident	85.9	Confident	15 Å²	15	35.4 Å²	35.4	8%	0.079	18%	0.182	C	C	.	.	S	Bend	trans	-66.5	144.2	-179.9	-65.7	-174.4	0	0	0	111.3	V739 V740 E747 L748 L751 I813	V739-L743 HydrophobicContact CG1-CD2 4.23Å; V739-L743 WeakPolarHBondContact O-CG 3.14Å; V739-L743 PolarHBondContact O-N 2.92Å; V739-L743 VanDerWaalsContact O-N 3.13Å; V740-L743 PolarHBondContact O-N 3.47Å; L743-E747 HydrophobicContact CB-CB 3.87Å; L743-E747 HydrophobicContact CD1-CB 4.24Å; L743-E747 HydrophobicContact CD2-CB 3.96Å; L743-E747 HydrophobicContact CD2-CG 4.47Å; L743-E747 HydrophobicContact CG-CB 4.21Å; L743-L748 HydrophobicContact CB-CD2 4.11Å; L743-L748 HydrophobicContact CB-CG 3.92Å; L743-L748 HydrophobicContact CD1-CD2 4.24Å; L743-L751 HydrophobicContact CD1-CD2 4.33Å; L743-I813 HydrophobicContact CD1-CD1 4.31Å
744	T	78.7	Confident	85.7	Confident	77 Å²	77	35.9 Å²	35.9	47%	0.472	18%	0.184	S	C	.	.			trans	-68.4	162.6	167.7	61.3	0	0	0	0	111.1	E746 E747 L748	T744-E746 PolarHBondContact O-N 2.87Å; T744-E746 VanDerWaalsContact O-N 3.15Å; T744-E747 WeakPolarHBondContact CB-OE2 3.37Å; T744-E747 WeakPolarHBondContact CG2-OE2 3.31Å; T744-E747 PolarHBondContact N-OE2 2.85Å; T744-E747 PolarHBondContact O-N 2.78Å; T744-E747 VanDerWaalsContact O-N 3.13Å; T744-E747 WeakPolarHBondContact OG1-CG 3.2Å; T744-E747 PolarHBondContact OG1-N 3.44Å; T744-E747 PolarHBondContact OG1-OE2 2.84Å; T744-L748 WeakPolarHBondContact O-CG 3.47Å; T744-L748 PolarHBondContact O-N 3.37Å
745	Q	80.4	Confident	85.7	Confident	68 Å²	68	29.5 Å²	29.5	32%	0.318	16%	0.16	S	C	.	.	H	α-helix	trans	-56.9	-30.2	173.6	-68.7	-53	116.1	0	0	113	T707 G708 A749	T707-Q745 HydrophobicContact CG2-CB 4.4Å; T707-Q745 WeakPolarHBondContact CG2-O 3.31Å; G708-Q745 PolarHBondContact O-NE2 3.4Å; Q745-A749 VanDerWaalsContact O-CB 3.28Å; Q745-A749 WeakPolarHBondContact O-CB 3.13Å; Q745-A749 PolarHBondContact O-N 2.81Å
746	E	80.6	Confident	85.4	Confident	50 Å²	50	27.8 Å²	27.8	23%	0.234	16%	0.155	C	C	.	.	H	α-helix	trans	-69.4	-46.9	176.4	-164.5	-173.6	134.6	0	0	111.6	F439 L702 T707 T744 A749 R750	F439-E746 WeakPolarHBondContact CD1-OE1 3.44Å; L702-E746 HydrophobicContact CD2-CG 3.93Å; T707-E746 VanDerWaalsContact CG2-CA 3.49Å; T707-E746 HydrophobicContact CG2-CB 4.16Å; T707-E746 HydrophobicContact CG2-CG 4.46Å; T744-E746 PolarHBondContact O-N 2.87Å; T744-E746 VanDerWaalsContact O-N 3.15Å; E746-A749 PolarHBondContact O-N 3.28Å; E746-R750 PolarHBondContact O-N 3.21Å; E746-R750 IonicContact OE1-CZ 3.91Å; E746-R750 IonicContact OE1-NH1 2.91Å; E746-R750 PolarHBondContact OE1-NH1 2.88Å; E746-R750 IonicContact OE1-NH2 3.95Å; E746-R750 PolarHBondContact OE1-NH2 3.37Å
747	E	85.7	Confident	84.6	Confident	42 Å²	42	28 Å²	28	20%	0.196	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-38.2	175.7	-69.6	164.3	128.3	0	0	111.7	L743 T744 A749 R750 L751 Q810 I813	L743-E747 HydrophobicContact CB-CB 3.87Å; L743-E747 HydrophobicContact CD1-CB 4.24Å; L743-E747 HydrophobicContact CD2-CB 3.96Å; L743-E747 HydrophobicContact CD2-CG 4.47Å; L743-E747 HydrophobicContact CG-CB 4.21Å; T744-E747 WeakPolarHBondContact CB-OE2 3.37Å; T744-E747 WeakPolarHBondContact CG2-OE2 3.31Å; T744-E747 PolarHBondContact N-OE2 2.85Å; T744-E747 PolarHBondContact O-N 2.78Å; T744-E747 VanDerWaalsContact O-N 3.13Å; T744-E747 WeakPolarHBondContact OG1-CG 3.2Å; T744-E747 PolarHBondContact OG1-N 3.44Å; T744-E747 PolarHBondContact OG1-OE2 2.84Å; E747-A749 VanDerWaalsContact C-N 3.32Å; E747-A749 PolarHBondContact O-N 3.47Å; E747-R750 PolarHBondContact O-N 3.22Å; E747-L751 WeakPolarHBondContact O-CB 3.29Å; E747-L751 PolarHBondContact O-N 3.36Å; E747-Q810 PolarHBondContact OE1-NE2 2.81Å; E747-I813 HydrophobicContact CB-CD1 4.17Å
748	L	89.3	Confident	84.2	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-40.4	172.3	-74.2	171.3	0	0	0	111.7	I710 V712 V740 L743 T744 L751 L752	I710-L748 HydrophobicContact CB-CB 4.19Å; I710-L748 HydrophobicContact CB-CD1 4.33Å; I710-L748 HydrophobicContact CD1-CB 3.87Å; I710-L748 HydrophobicContact CG2-CB 4.18Å; I710-L748 HydrophobicContact CG2-CD1 4.35Å; V712-L748 HydrophobicContact CG2-CD1 3.78Å; V712-L748 HydrophobicContact CG2-CD2 4.03Å; V740-L748 HydrophobicContact CG1-CD2 3.71Å; L743-L748 HydrophobicContact CB-CD2 4.11Å; L743-L748 HydrophobicContact CB-CG 3.92Å; L743-L748 HydrophobicContact CD1-CD2 4.24Å; T744-L748 WeakPolarHBondContact O-CG 3.47Å; T744-L748 PolarHBondContact O-N 3.37Å; L748-L751 PolarHBondContact O-N 2.8Å; L748-L752 WeakPolarHBondContact O-CB 3.26Å; L748-L752 PolarHBondContact O-N 2.9Å
749	A	87.5	Confident	84.1	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.1	-38	176.2	0	0	0	0	0	111.9	L702 T707 I710 Q745 E746 E747 L752 Q753	L702-A749 HydrophobicContact CD1-CB 4Å; T707-A749 HydrophobicContact CG2-CB 3.83Å; I710-A749 HydrophobicContact CD1-CB 4.11Å; Q745-A749 VanDerWaalsContact O-CB 3.28Å; Q745-A749 WeakPolarHBondContact O-CB 3.13Å; Q745-A749 PolarHBondContact O-N 2.81Å; E746-A749 PolarHBondContact O-N 3.28Å; E747-A749 VanDerWaalsContact C-N 3.32Å; E747-A749 PolarHBondContact O-N 3.47Å; A749-L752 PolarHBondContact O-N 3.47Å; A749-Q753 WeakPolarHBondContact O-CG 3.47Å; A749-Q753 PolarHBondContact O-N 2.99Å
750	R	88.2	Confident	83.9	Confident	42 Å²	42	24.5 Å²	24.5	16%	0.158	14%	0.137	C	C	.	.	H	α-helix	trans	-65.7	-41.4	172.3	-72.8	-163.4	-177.5	88	8.3	112.3	F439 E746 E747 L752 Q753 F754 I813	F439-R750 VanDerWaalsContact CB-NH2 3.33Å; F439-R750 VanDerWaalsContact CD1-NH2 3.3Å; E746-R750 PolarHBondContact O-N 3.21Å; E746-R750 IonicContact OE1-CZ 3.91Å; E746-R750 IonicContact OE1-NH1 2.91Å; E746-R750 PolarHBondContact OE1-NH1 2.88Å; E746-R750 IonicContact OE1-NH2 3.95Å; E746-R750 PolarHBondContact OE1-NH2 3.37Å; E747-R750 PolarHBondContact O-N 3.22Å; R750-L752 VanDerWaalsContact C-N 3.26Å; R750-L752 PolarHBondContact O-N 2.86Å; R750-Q753 PolarHBondContact O-N 2.99Å; R750-F754 VanDerWaalsContact O-CB 3.31Å; R750-F754 WeakPolarHBondContact O-CB 3.31Å; R750-F754 PolarHBondContact O-N 3.2Å; R750-I813 HydrophobicContact CB-CB 4.2Å; R750-I813 WeakPolarHBondContact CD-O 3.45Å
751	L	91.3	Very high	83.5	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-41.4	172.8	177.3	59.4	0	0	0	111.1	F715 V740 L743 E747 L748 F754 T755 L809 I813	F715-L751 HydrophobicContact CE1-CD2 3.83Å; F715-L751 HydrophobicContact CZ-CD2 4.4Å; V740-L751 HydrophobicContact CG2-CD2 3.94Å; L743-L751 HydrophobicContact CD1-CD2 4.33Å; E747-L751 WeakPolarHBondContact O-CB 3.29Å; E747-L751 PolarHBondContact O-N 3.36Å; L748-L751 PolarHBondContact O-N 2.8Å; L751-F754 PolarHBondContact O-N 3.35Å; L751-T755 HydrophobicContact CD1-CG2 4.14Å; L751-T755 WeakPolarHBondContact O-CB 3.33Å; L751-T755 WeakPolarHBondContact O-CG2 3.13Å; L751-T755 PolarHBondContact O-N 3.34Å; L751-T755 VanDerWaalsContact O-N 3.11Å; L751-T755 PolarHBondContact O-OG1 3.44Å; L751-L809 HydrophobicContact CD1-CD1 4.06Å; L751-I813 HydrophobicContact CB-CG2 4.08Å; L751-I813 HydrophobicContact CD1-CG2 3.85Å
752	L	89.8	Confident	83.1	Confident	3 Å²	3	22.8 Å²	22.8	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-67	-41.6	175.8	-167.4	68.8	0	0	0	112	I710 L748 A749 R750 T755 T756 S758 L761 F766	I710-L752 HydrophobicContact CD1-CB 4.41Å; I710-L752 HydrophobicContact CD1-CD2 4.2Å; L748-L752 WeakPolarHBondContact O-CB 3.26Å; L748-L752 PolarHBondContact O-N 2.9Å; A749-L752 PolarHBondContact O-N 3.47Å; R750-L752 VanDerWaalsContact C-N 3.26Å; R750-L752 PolarHBondContact O-N 2.86Å; L752-T755 PolarHBondContact O-N 3.49Å; L752-T755 PolarHBondContact O-OG1 3.42Å; L752-T756 HydrophobicContact CD1-CG2 3.59Å; L752-T756 HydrophobicContact CG-CG2 4.27Å; L752-T756 WeakPolarHBondContact O-CA 3.47Å; L752-T756 WeakPolarHBondContact O-CB 3.25Å; L752-T756 PolarHBondContact O-N 3.17Å; L752-T756 PolarHBondContact O-OG1 3.35Å; L752-S758 CarbonylContact C-O 3.51Å; L752-S758 VanDerWaalsContact C-O 3.23Å; L752-S758 WeakPolarHBondContact CG-O 3.35Å; L752-L761 HydrophobicContact CD1-CD2 3.68Å; L752-L761 HydrophobicContact CD2-CD2 3.76Å; L752-L761 HydrophobicContact CD2-CG 3.73Å; L752-L761 HydrophobicContact CG-CD2 4.39Å; L752-F766 HydrophobicContact CD1-CE1 3.92Å; L752-F766 HydrophobicContact CD1-CZ 4.2Å
753	Q	86.4	Confident	82.6	Confident	8 Å²	8	26.1 Å²	26.1	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-49.1	173.2	-77.8	179.1	-29.5	0	0	111.3	N698 E701 A749 R750 T755 G757 S758	N698-Q753 PolarHBondContact O-NE2 3.12Å; E701-Q753 PolarHBondContact OE2-NE2 2.8Å; A749-Q753 WeakPolarHBondContact O-CG 3.47Å; A749-Q753 PolarHBondContact O-N 2.99Å; R750-Q753 PolarHBondContact O-N 2.99Å; Q753-T755 PolarHBondContact O-N 3.43Å; Q753-G757 VanDerWaalsContact O-CA 3.23Å; Q753-G757 WeakPolarHBondContact O-CA 3.18Å; Q753-G757 PolarHBondContact O-N 3.42Å; Q753-S758 WeakPolarHBondContact CA-O 3.34Å; Q753-S758 VanDerWaalsContact CG-C 3.44Å; Q753-S758 PolarHBondContact N-O 3.38Å
754	F	87.7	Confident	81.9	Confident	21 Å²	21	27.6 Å²	27.6	9%	0.092	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-36.6	179.7	-178	-112.5	0	0	0	112.2	R750 L751 A787 T789 L794 A812 I813	R750-F754 VanDerWaalsContact O-CB 3.31Å; R750-F754 WeakPolarHBondContact O-CB 3.31Å; R750-F754 PolarHBondContact O-N 3.2Å; L751-F754 PolarHBondContact O-N 3.35Å; F754-A787 HydrophobicContact CD1-CB 3.81Å; F754-A787 HydrophobicContact CE1-CB 3.59Å; F754-A787 HydrophobicContact CE2-CB 4.42Å; F754-A787 HydrophobicContact CG-CB 4.31Å; F754-A787 HydrophobicContact CZ-CB 3.93Å; F754-A787 WeakPolarHBondContact O-CB 3.29Å; F754-T789 WeakPolarHBondContact O-CG2 3.42Å; F754-L794 HydrophobicContact CD1-CD1 4.21Å; F754-L794 HydrophobicContact CE1-CD1 3.84Å; F754-A812 HydrophobicContact CE1-CB 4.35Å; F754-A812 HydrophobicContact CZ-CB 4.1Å; F754-I813 HydrophobicContact CB-CG2 4.37Å; F754-I813 HydrophobicContact CD1-CG2 4.4Å; F754-I813 HydrophobicContact CG-CG2 4.47Å
755	T	87.5	Confident	82	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-102.6	-19.5	-171.9	53.1	0	0	0	0	115.1	L751 L752 Q753 F773 A787 T789 N792 L794	L751-T755 HydrophobicContact CD1-CG2 4.14Å; L751-T755 WeakPolarHBondContact O-CB 3.33Å; L751-T755 WeakPolarHBondContact O-CG2 3.13Å; L751-T755 PolarHBondContact O-N 3.34Å; L751-T755 VanDerWaalsContact O-N 3.11Å; L751-T755 PolarHBondContact O-OG1 3.44Å; L752-T755 PolarHBondContact O-N 3.49Å; L752-T755 PolarHBondContact O-OG1 3.42Å; Q753-T755 PolarHBondContact O-N 3.43Å; T755-F773 HydrophobicContact CG2-CE2 4.19Å; T755-F773 HydrophobicContact CG2-CZ 3.85Å; T755-F773 WeakPolarHBondContact OG1-CE2 2.98Å; T755-A787 HydrophobicContact CG2-CB 4.22Å; T755-T789 WeakPolarHBondContact O-CA 3.48Å; T755-N792 VanDerWaalsContact O-CA 3.3Å; T755-N792 WeakPolarHBondContact O-CA 3.2Å; T755-L794 HydrophobicContact CG2-CB 3.95Å; T755-L794 HydrophobicContact CG2-CD1 3.99Å; T755-L794 HydrophobicContact CG2-CG 4.47Å
756	T	83.3	Confident	82.3	Confident	15 Å²	15	21.4 Å²	21.4	9%	0.092	13%	0.13	C	C	.	.	H	α-helix	trans	-130.7	-5	-174.8	75	0	0	0	0	113.6	L752 S758 F773 N792	L752-T756 HydrophobicContact CD1-CG2 3.59Å; L752-T756 HydrophobicContact CG-CG2 4.27Å; L752-T756 WeakPolarHBondContact O-CA 3.47Å; L752-T756 WeakPolarHBondContact O-CB 3.25Å; L752-T756 PolarHBondContact O-N 3.17Å; L752-T756 PolarHBondContact O-OG1 3.35Å; T756-S758 VanDerWaalsContact C-N 3.3Å; T756-S758 PolarHBondContact O-N 3.38Å; T756-S758 PolarHBondContact OG1-N 2.7Å; T756-S758 PolarHBondContact OG1-O 2.97Å; T756-F773 HydrophobicContact CG2-CD2 4.36Å; T756-F773 HydrophobicContact CG2-CE2 4.39Å; T756-N792 WeakPolarHBondContact CB-OD1 3.18Å; T756-N792 HydrophobicContact CG2-CB 4.32Å; T756-N792 WeakPolarHBondContact CG2-OD1 3.35Å
757	G	76.2	Confident	82.5	Confident	5 Å²	5	21.8 Å²	21.8	5%	0.052	14%	0.142	C	C	.	.	S	Bend	trans	78.2	2.7	-177.1	0	0	0	0	0	115.1	R582 Q753	R582-G757 PolarHBondContact NE-O 2.91Å; R582-G757 PolarHBondContact NH2-O 3.42Å; Q753-G757 VanDerWaalsContact O-CA 3.23Å; Q753-G757 WeakPolarHBondContact O-CA 3.18Å; Q753-G757 PolarHBondContact O-N 3.42Å
758	S	79.2	Confident	82.3	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.148	C	C	.	.			trans	-143.2	149.6	178.3	-177.8	0	0	0	0	113	R579 E701 L752 Q753 T756 Q760	R579-S758 PolarHBondContact NE-OG 2.83Å; E701-S758 WeakPolarHBondContact OE1-CA 3.35Å; E701-S758 WeakPolarHBondContact OE1-CB 3.4Å; E701-S758 PolarHBondContact OE1-OG 3.32Å; L752-S758 CarbonylContact C-O 3.51Å; L752-S758 VanDerWaalsContact C-O 3.23Å; L752-S758 WeakPolarHBondContact CG-O 3.35Å; Q753-S758 WeakPolarHBondContact CA-O 3.34Å; Q753-S758 VanDerWaalsContact CG-C 3.44Å; Q753-S758 PolarHBondContact N-O 3.38Å; T756-S758 VanDerWaalsContact C-N 3.3Å; T756-S758 PolarHBondContact O-N 3.38Å; T756-S758 PolarHBondContact OG1-N 2.7Å; T756-S758 PolarHBondContact OG1-O 2.97Å; S758-Q760 VanDerWaalsContact C-N 3.27Å; S758-Q760 PolarHBondContact OG-N 2.83Å
759	S	80.6	Confident	82	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-79.8	-8.3	174.5	57.5	0	0	0	0	113.9	E701	E701-S759 PolarHBondContact OE1-N 2.67Å; E701-S759 PolarHBondContact OE2-N 3.02Å
760	Q	78.8	Confident	81.4	Confident	17 Å²	17	25.5 Å²	25.5	8%	0.079	17%	0.174	C	C	.	.	S	Bend	trans	-114.2	137.4	-179.5	-65.8	-168	-12.1	0	0	111.7	R579 C705 S758	R579-Q760 HydrophobicContact CG-CB 4.12Å; R579-Q760 PolarHBondContact NE-O 3.45Å; C705-Q760 HydrophobicContact CB-CG 4.34Å; C705-Q760 PolarHBondContact O-NE2 2.9Å; S758-Q760 VanDerWaalsContact C-N 3.27Å; S758-Q760 PolarHBondContact OG-N 2.83Å
761	L	79.3	Confident	81.1	Confident	35 Å²	35	25.6 Å²	25.6	18%	0.183	18%	0.18	C	C	.	.			trans	-72.6	154.4	167.5	-69.4	168.3	0	0	0	110.7	L752 F766 L769	L752-L761 HydrophobicContact CD1-CD2 3.68Å; L752-L761 HydrophobicContact CD2-CD2 3.76Å; L752-L761 HydrophobicContact CD2-CG 3.73Å; L752-L761 HydrophobicContact CG-CD2 4.39Å; L761-F766 HydrophobicContact CD1-CD2 3.64Å; L761-F766 HydrophobicContact CD1-CE2 3.53Å; L761-F766 HydrophobicContact CD1-CG 4.39Å; L761-F766 HydrophobicContact CD1-CZ 4.18Å; L761-F766 HydrophobicContact CD2-CD1 3.96Å; L761-F766 HydrophobicContact CD2-CD2 4.04Å; L761-F766 HydrophobicContact CD2-CE1 3.92Å; L761-F766 HydrophobicContact CD2-CE2 4.03Å; L761-F766 HydrophobicContact CD2-CG 4.01Å; L761-F766 HydrophobicContact CD2-CZ 3.96Å; L761-F766 HydrophobicContact CG-CE2 4.35Å; L761-L769 HydrophobicContact CD2-CD1 4.41Å
762	P	74.2	Confident	80.8	Confident	10 Å²	10	28.3 Å²	28.3	7%	0.065	20%	0.199	C	C	.	.			trans	-57	160.7	163.6	-13.9	25	0	0	0	111.2	Q534 G764 G765 A768 L769	Q534-P762 HydrophobicContact CG-CB 4.5Å; Q534-P762 HydrophobicContact CG-CG 3.95Å; Q534-P762 VanDerWaalsContact NE2-CG 3.3Å; P762-G764 PolarHBondContact O-N 3.38Å; P762-G765 PolarHBondContact O-N 3.43Å; P762-A768 HydrophobicContact CB-CB 3.88Å; P762-A768 HydrophobicContact CG-CB 4.17Å; P762-L769 HydrophobicContact CG-CD2 4.02Å
763	P	68.1	Low	80.9	Confident	135 Å²	135	28.2 Å²	28.2	88%	0.877	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-18.4	-179.9	-28.6	35.9	0	0	0	116.3
764	G	67.2	Low	81.2	Confident	46 Å²	46	30.1 Å²	30.1	47%	0.474	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	15	175.6	0	0	0	0	0	115.3	P762	P762-G764 PolarHBondContact O-N 3.38Å
765	G	81.3	Confident	81.6	Confident	14 Å²	14	29.1 Å²	29.1	14%	0.144	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	69.2	-154	179.1	0	0	0	0	0	113.4	P762 A767 A768	P762-G765 PolarHBondContact O-N 3.43Å; G765-A767 VanDerWaalsContact C-N 3.26Å; G765-A767 PolarHBondContact O-N 3.44Å; G765-A768 PolarHBondContact O-N 2.96Å
766	F	85.2	Confident	81.8	Confident	2 Å²	2	31 Å²	31	1%	0.009	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-66.6	-29.3	178.6	-74.5	-89.4	0	0	0	112.5	I710 D714 F715 H718 L752 L761 A768 L769 F773	I710-F766 HydrophobicContact CG2-CE2 3.76Å; I710-F766 HydrophobicContact CG2-CZ 3.92Å; D714-F766 HydrophobicContact CB-CD2 4.35Å; D714-F766 WeakPolarHBondContact OD2-CD2 3.29Å; D714-F766 PolarHBondContact OD2-N 3.01Å; F715-F766 VanDerWaalsContact CA-CD2 3.4Å; F715-F766 HydrophobicContact CB-CD1 4.39Å; F715-F766 HydrophobicContact CB-CD2 3.77Å; F715-F766 HydrophobicContact CB-CE1 4.07Å; F715-F766 HydrophobicContact CB-CE2 3.36Å; F715-F766 HydrophobicContact CB-CG 4.27Å; F715-F766 HydrophobicContact CB-CZ 3.54Å; F715-F766 HydrophobicContact CD1-CE1 4.2Å; F715-F766 HydrophobicContact CD1-CE2 4.44Å; F715-F766 AromaticContact CD1-CZ 3.8Å; F715-F766 HydrophobicContact CD1-CZ 3.8Å; F715-F766 AromaticContact CD2-CD1 3.48Å; F715-F766 HydrophobicContact CD2-CD1 3.48Å; F715-F766 VanDerWaalsContact CD2-CD1 3.48Å; F715-F766 HydrophobicContact CD2-CD2 4.41Å; F715-F766 AromaticContact CD2-CE1 3.14Å; F715-F766 HydrophobicContact CD2-CE1 3.14Å; F715-F766 HydrophobicContact CD2-CE2 4.12Å; F715-F766 HydrophobicContact CD2-CG 4.13Å; F715-F766 AromaticContact CD2-CZ 3.5Å; F715-F766 HydrophobicContact CD2-CZ 3.5Å; F715-F766 HydrophobicContact CE1-CZ 4.39Å; F715-F766 HydrophobicContact CE2-CD1 4.06Å; F715-F766 AromaticContact CE2-CE1 3.53Å; F715-F766 HydrophobicContact CE2-CE1 3.53Å; F715-F766 HydrophobicContact CE2-CZ 4.13Å; F715-F766 HydrophobicContact CG-CD1 4.12Å; F715-F766 HydrophobicContact CG-CD2 4.32Å; F715-F766 AromaticContact CG-CE1 3.55Å; F715-F766 HydrophobicContact CG-CE1 3.55Å; F715-F766 AromaticContact CG-CE2 3.74Å; F715-F766 HydrophobicContact CG-CE2 3.74Å; F715-F766 HydrophobicContact CG-CG 4.49Å; F715-F766 AromaticContact CG-CZ 3.32Å; F715-F766 HydrophobicContact CG-CZ 3.32Å; F715-F766 HydrophobicContact CZ-CE1 4.21Å; H718-F766 HydrophobicContact CB-CB 3.72Å; L752-F766 HydrophobicContact CD1-CE1 3.92Å; L752-F766 HydrophobicContact CD1-CZ 4.2Å; L761-F766 HydrophobicContact CD1-CD2 3.64Å; L761-F766 HydrophobicContact CD1-CE2 3.53Å; L761-F766 HydrophobicContact CD1-CG 4.39Å; L761-F766 HydrophobicContact CD1-CZ 4.18Å; L761-F766 HydrophobicContact CD2-CD1 3.96Å; L761-F766 HydrophobicContact CD2-CD2 4.04Å; L761-F766 HydrophobicContact CD2-CE1 3.92Å; L761-F766 HydrophobicContact CD2-CE2 4.03Å; L761-F766 HydrophobicContact CD2-CG 4.01Å; L761-F766 HydrophobicContact CD2-CZ 3.96Å; L761-F766 HydrophobicContact CG-CE2 4.35Å; F766-A768 PolarHBondContact O-N 3.4Å; F766-L769 HydrophobicContact CB-CD1 4.44Å; F766-L769 HydrophobicContact CD1-CD1 3.59Å; F766-L769 HydrophobicContact CE1-CD1 4.3Å; F766-L769 HydrophobicContact CG-CD1 4.37Å; F766-L769 VanDerWaalsContact O-CB 3.3Å; F766-L769 WeakPolarHBondContact O-CB 3.45Å; F766-L769 PolarHBondContact O-N 2.96Å; F766-F773 HydrophobicContact CD1-CD2 4.43Å; F766-F773 HydrophobicContact CE1-CD2 4.24Å
767	A	85.4	Confident	82.3	Confident	57 Å²	57	31.3 Å²	31.3	47%	0.471	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-58.1	-30.2	175.6	0	0	0	0	0	113	H718 G765 L769	H718-A767 WeakPolarHBondContact NE2-CB 3.43Å; G765-A767 VanDerWaalsContact C-N 3.26Å; G765-A767 PolarHBondContact O-N 3.44Å; A767-L769 VanDerWaalsContact C-N 3.35Å
768	A	82.2	Confident	83	Confident	41 Å²	41	31.8 Å²	31.8	34%	0.339	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-75.4	-24.1	179.4	0	0	0	0	0	112.4	Q534 P762 G765 F766 C770	Q534-A768 PolarHBondContact NE2-O 2.7Å; P762-A768 HydrophobicContact CB-CB 3.88Å; P762-A768 HydrophobicContact CG-CB 4.17Å; G765-A768 PolarHBondContact O-N 2.96Å; F766-A768 PolarHBondContact O-N 3.4Å; A768-C770 PolarHBondContact O-N 2.94Å
769	L	81.9	Confident	83.4	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.031	26%	0.263	C	S	.	.			trans	-49.8	125.1	-175.3	-69.3	177.7	0	0	0	112.1	Q534 L761 P762 F766 A767 P771 S772 F773	Q534-L769 VanDerWaalsContact NE2-N 3.2Å; L761-L769 HydrophobicContact CD2-CD1 4.41Å; P762-L769 HydrophobicContact CG-CD2 4.02Å; F766-L769 HydrophobicContact CB-CD1 4.44Å; F766-L769 HydrophobicContact CD1-CD1 3.59Å; F766-L769 HydrophobicContact CE1-CD1 4.3Å; F766-L769 HydrophobicContact CG-CD1 4.37Å; F766-L769 VanDerWaalsContact O-CB 3.3Å; F766-L769 WeakPolarHBondContact O-CB 3.45Å; F766-L769 PolarHBondContact O-N 2.96Å; A767-L769 VanDerWaalsContact C-N 3.35Å; L769-P771 VanDerWaalsContact C-C 3.46Å; L769-P771 CarbonylContact C-O 3.59Å; L769-P771 CarbonylContact O-C 3.45Å; L769-P771 VanDerWaalsContact O-C 3.23Å; L769-S772 WeakPolarHBondContact O-CA 3.46Å; L769-S772 PolarHBondContact O-N 3.24Å; L769-F773 HydrophobicContact CD1-CB 3.98Å; L769-F773 HydrophobicContact CD1-CD2 4.14Å
770	C	74.7	Confident	83.7	Confident	77 Å²	77	41.1 Å²	41.1	52%	0.52	28%	0.28	S	S	.	.	S	Bend	trans	-131.9	106.8	-179.8	-170.3	0	0	0	0	109.6	N532 Q534 A768	N532-C770 PolarHBondContact ND2-O 2.99Å; Q534-C770 PolarHBondContact OE1-O 3.48Å; A768-C770 PolarHBondContact O-N 2.94Å
771	P	81.7	Confident	84.3	Confident	45 Å²	45	44.7 Å²	44.7	29%	0.292	30%	0.296	S	S	.	.	S	Bend	cis	-66.8	161.7	-1.8	31.3	-36.9	0	0	0	112.3	L769 F791 N792	L769-P771 VanDerWaalsContact C-C 3.46Å; L769-P771 CarbonylContact C-O 3.59Å; L769-P771 CarbonylContact O-C 3.45Å; L769-P771 VanDerWaalsContact O-C 3.23Å; P771-F791 HydrophobicContact CG-CB 4.4Å; P771-F791 WeakPolarHBondContact CG-O 3.33Å; P771-N792 PolarHBondContact O-ND2 3.42Å
772	S	86.4	Confident	84.6	Confident	58 Å²	58	44.9 Å²	44.9	41%	0.406	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-56.5	149.1	174	-54	0	0	0	0	110.5	L769 Q774	L769-S772 WeakPolarHBondContact O-CA 3.46Å; L769-S772 PolarHBondContact O-N 3.24Å; S772-Q774 WeakPolarHBondContact O-CG 3.45Å; S772-Q774 PolarHBondContact O-N 2.9Å
773	F	90.9	Very high	85.3	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-58	129.7	179.9	-167.1	-74.9	0	0	0	110.6	F715 A719 V720 T755 T756 F766 L769 I775 N792 L794	F715-F773 AromaticContact CE2-CD1 3.58Å; F715-F773 HydrophobicContact CE2-CD1 3.58Å; F715-F773 AromaticContact CE2-CD2 3.78Å; F715-F773 HydrophobicContact CE2-CD2 3.78Å; F715-F773 AromaticContact CE2-CE1 3.57Å; F715-F773 HydrophobicContact CE2-CE1 3.57Å; F715-F773 AromaticContact CE2-CE2 3.73Å; F715-F773 HydrophobicContact CE2-CE2 3.73Å; F715-F773 AromaticContact CE2-CG 3.7Å; F715-F773 HydrophobicContact CE2-CG 3.7Å; F715-F773 AromaticContact CE2-CZ 3.64Å; F715-F773 HydrophobicContact CE2-CZ 3.64Å; F715-F773 HydrophobicContact CZ-CD1 4.19Å; F715-F773 HydrophobicContact CZ-CD2 4.33Å; F715-F773 AromaticContact CZ-CE1 3.68Å; F715-F773 HydrophobicContact CZ-CE1 3.68Å; F715-F773 AromaticContact CZ-CE2 3.8Å; F715-F773 HydrophobicContact CZ-CE2 3.8Å; F715-F773 HydrophobicContact CZ-CG 4.5Å; F715-F773 AromaticContact CZ-CZ 3.46Å; F715-F773 HydrophobicContact CZ-CZ 3.46Å; F715-F773 VanDerWaalsContact CZ-CZ 3.46Å; A719-F773 CarbonylContact C-O 3.48Å; A719-F773 WeakPolarHBondContact CA-O 3.45Å; A719-F773 HydrophobicContact CB-CD1 4.1Å; V720-F773 PolarHBondContact N-O 3.39Å; T755-F773 HydrophobicContact CG2-CE2 4.19Å; T755-F773 HydrophobicContact CG2-CZ 3.85Å; T755-F773 WeakPolarHBondContact OG1-CE2 2.98Å; T756-F773 HydrophobicContact CG2-CD2 4.36Å; T756-F773 HydrophobicContact CG2-CE2 4.39Å; F766-F773 HydrophobicContact CD1-CD2 4.43Å; F766-F773 HydrophobicContact CE1-CD2 4.24Å; L769-F773 HydrophobicContact CD1-CB 3.98Å; L769-F773 HydrophobicContact CD1-CD2 4.14Å; F773-I775 HydrophobicContact CD1-CG1 4.15Å; F773-I775 HydrophobicContact CE1-CD1 4.5Å; F773-I775 HydrophobicContact CE1-CG1 3.78Å; F773-N792 CarbonylContact C-O 3.58Å; F773-N792 WeakPolarHBondContact CA-O 3.12Å; F773-L794 HydrophobicContact CE1-CB 4.21Å; F773-L794 HydrophobicContact CZ-CB 4.29Å
774	Q	92.3	Very high	86.4	Confident	47 Å²	47	42.8 Å²	42.8	22%	0.22	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134	-178.1	-73.4	170.2	43.5	0	0	111.8	V720 V722 S772 I776 N792 Q793 L794	V720-Q774 HydrophobicContact CB-CG 4.36Å; V720-Q774 CarbonylContact O-C 3.6Å; V720-Q774 VanDerWaalsContact O-CA 3.3Å; V720-Q774 WeakPolarHBondContact O-CA 3.21Å; V722-Q774 HydrophobicContact CG2-CB 4.46Å; V722-Q774 HydrophobicContact CG2-CG 4.23Å; S772-Q774 WeakPolarHBondContact O-CG 3.45Å; S772-Q774 PolarHBondContact O-N 2.9Å; Q774-I776 HydrophobicContact CB-CG1 4.45Å; Q774-N792 PolarHBondContact N-O 3.46Å; Q774-Q793 HydrophobicContact CB-CB 4.37Å; Q774-Q793 HydrophobicContact CB-CG 4.1Å; Q774-Q793 CarbonylContact O-C 3.58Å; Q774-Q793 WeakPolarHBondContact O-CA 3.27Å; Q774-Q793 VanDerWaalsContact OE1-NE2 3.15Å; Q774-L794 PolarHBondContact O-N 3.46Å
775	I	96.3	Very high	87.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	108.9	168.5	-55.9	168.8	0	0	0	107.3	A719 V720 V721 V722 F728 M733 F736 W737 F773 L794 L796	A719-I775 HydrophobicContact CB-CD1 4.28Å; V720-I775 PolarHBondContact O-N 2.97Å; V721-I775 CarbonylContact C-O 3.57Å; V721-I775 WeakPolarHBondContact CA-O 3.19Å; V721-I775 HydrophobicContact CG2-CB 4.46Å; V722-I775 PolarHBondContact N-O 2.91Å; F728-I775 HydrophobicContact CZ-CG2 4.35Å; M733-I775 HydrophobicContact CE-CG2 3.86Å; M733-I775 HydrophobicContact SD-CG2 3.86Å; F736-I775 HydrophobicContact CD1-CD1 3.97Å; F736-I775 HydrophobicContact CE1-CD1 3.42Å; F736-I775 VanDerWaalsContact CE1-CD1 3.42Å; F736-I775 HydrophobicContact CE1-CG1 4.48Å; F736-I775 HydrophobicContact CZ-CD1 4.04Å; W737-I775 HydrophobicContact CH2-CD1 4.23Å; W737-I775 HydrophobicContact CZ2-CD1 3.69Å; F773-I775 HydrophobicContact CD1-CG1 4.15Å; F773-I775 HydrophobicContact CE1-CD1 4.5Å; F773-I775 HydrophobicContact CE1-CG1 3.78Å; I775-L794 CarbonylContact C-O 3.47Å; I775-L794 WeakPolarHBondContact CA-O 3.45Å; I775-L796 HydrophobicContact CG2-CB 4.22Å
776	I	93.4	Very high	88	Confident	40 Å²	40	43.6 Å²	43.6	21%	0.205	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.3	-179	-58.3	-146	0	0	0	109.9	V722 Q774 A778 Q793 L794 C795 L796	V722-I776 HydrophobicContact CB-CD1 4.12Å; V722-I776 HydrophobicContact CB-CG1 4.01Å; V722-I776 HydrophobicContact CG1-CD1 4.31Å; V722-I776 HydrophobicContact CG2-CG1 4.44Å; Q774-I776 HydrophobicContact CB-CG1 4.45Å; I776-A778 PolarHBondContact O-N 2.88Å; I776-Q793 HydrophobicContact CD1-CG 4.1Å; I776-Q793 HydrophobicContact CG1-CG 3.76Å; I776-L794 PolarHBondContact N-O 2.8Å; I776-C795 CarbonylContact O-C 3.57Å; I776-C795 WeakPolarHBondContact O-CA 3.2Å; I776-L796 PolarHBondContact O-N 2.91Å
777	A	93.4	Very high	88.1	Confident	22 Å²	22	44.7 Å²	44.7	18%	0.182	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	110.4	167.5	0	0	0	0	0	110.3	V722 F728 L796	V722-A777 PolarHBondContact O-N 2.96Å; F728-A777 HydrophobicContact CD1-CB 3.73Å; F728-A777 HydrophobicContact CD2-CB 3.91Å; F728-A777 HydrophobicContact CE1-CB 3.64Å; F728-A777 HydrophobicContact CE2-CB 3.84Å; F728-A777 HydrophobicContact CG-CB 3.85Å; F728-A777 VanDerWaalsContact CZ-CA 3.48Å; F728-A777 HydrophobicContact CZ-CB 3.69Å; A777-L796 WeakPolarHBondContact CA-O 3.33Å
778	A	90.3	Very high	87.7	Confident	15 Å²	15	45.9 Å²	45.9	12%	0.124	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	143.7	171.8	0	0	0	0	0	109.9	I776 T780 C795 L796 P797	I776-A778 PolarHBondContact O-N 2.88Å; A778-T780 PolarHBondContact O-N 2.89Å; A778-C795 HydrophobicContact CB-CB 4.33Å; A778-L796 PolarHBondContact N-O 2.99Å; A778-P797 HydrophobicContact CB-CG 4.34Å
779	P	87.2	Confident	87.5	Confident	138 Å²	138	45.3 Å²	45.3	90%	0.896	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	36.4	178.3	35.6	-37.1	0	0	0	112.1
780	T	88.5	Confident	86.9	Confident	58 Å²	58	47.1 Å²	47.1	36%	0.356	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.5	-178.4	59.3	0	0	0	0	110.2	A778 T783 P797 T798	A778-T780 PolarHBondContact O-N 2.89Å; T780-T783 WeakPolarHBondContact CB-OG1 3.17Å; T780-T783 PolarHBondContact OG1-OG1 2.86Å; T780-P797 WeakPolarHBondContact O-CA 3.25Å; T780-P797 WeakPolarHBondContact O-CB 3.1Å; T780-T798 PolarHBondContact O-N 2.76Å; T780-T798 PolarHBondContact O-OG1 2.67Å
781	H	90.5	Very high	87	Confident	92 Å²	92	48.1 Å²	48.1	43%	0.426	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.7	-179.4	175.3	-88.8	0	0	0	109.2	T783 T798 D800	H781-T783 PolarHBondContact O-N 3.48Å; H781-T798 WeakPolarHBondContact CA-O 3.47Å; H781-D800 IonicContact CD2-OD1 3.92Å; H781-D800 IonicContact CE1-OD1 3.89Å; H781-D800 IonicContact CE1-OD2 3.86Å; H781-D800 PolarHBondContact CE1-OD2 3.48Å; H781-D800 VanDerWaalsContact NE2-CG 3.31Å; H781-D800 IonicContact NE2-OD1 2.79Å; H781-D800 PolarHBondContact NE2-OD1 3.1Å; H781-D800 IonicContact NE2-OD2 2.65Å; H781-D800 PolarHBondContact NE2-OD2 2.94Å
782	S	86.2	Confident	87.1	Confident	38 Å²	38	46.5 Å²	46.5	27%	0.266	27%	0.271	S	S	.	.	S	Bend	trans	55.3	24.4	176.8	-65.3	0	0	0	0	116	T798 E804	S782-T798 PolarHBondContact N-O 2.88Å; S782-E804 WeakPolarHBondContact CB-OE1 3.26Å; S782-E804 PolarHBondContact OG-OE1 2.85Å
783	T	89.1	Confident	87.2	Confident	57 Å²	57	45 Å²	45	35%	0.35	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-97.1	172.8	174.4	64.9	0	0	0	0	112	T780 H781 P797 Y799	T780-T783 WeakPolarHBondContact CB-OG1 3.17Å; T780-T783 PolarHBondContact OG1-OG1 2.86Å; H781-T783 PolarHBondContact O-N 3.48Å; T783-P797 WeakPolarHBondContact O-CG 3.5Å; T783-P797 WeakPolarHBondContact OG1-CG 3.41Å; T783-Y799 WeakPolarHBondContact O-CE1 3.44Å; T783-Y799 PolarHBondContact O-OH 2.85Å
784	L	89.8	Confident	87.4	Confident	45 Å²	45	44.9 Å²	44.9	24%	0.236	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-63.7	142.1	169.6	-78.2	172.9	0	0	0	111.4	M808 L811 A812 F820	L784-M808 HydrophobicContact CD2-SD 4.29Å; L784-L811 HydrophobicContact CD2-CB 3.98Å; L784-L811 HydrophobicContact CD2-CD2 3.83Å; L784-L811 HydrophobicContact CD2-CG 4Å; L784-A812 HydrophobicContact CD2-CB 4.32Å; L784-F820 HydrophobicContact CD1-CE1 3.99Å; L784-F820 HydrophobicContact CD1-CZ 3.95Å
785	P	92.3	Very high	87.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-60.1	145	164	-18.8	29.9	0	0	0	110.8	L794 C795 L796 Y799 M808 L809 A812	P785-L794 HydrophobicContact CB-CD1 4.04Å; P785-C795 WeakPolarHBondContact CA-O 3.45Å; P785-L796 HydrophobicContact CB-CD1 4.12Å; P785-L796 HydrophobicContact CG-CD1 3.9Å; P785-Y799 VanDerWaalsContact CD-OH 3.31Å; P785-Y799 WeakPolarHBondContact CD-OH 3.49Å; P785-Y799 WeakPolarHBondContact CG-OH 3.43Å; P785-M808 WeakPolarHBondContact CD-O 3.17Å; P785-L809 HydrophobicContact CG-CD1 4.37Å; P785-A812 HydrophobicContact CB-CB 4.3Å; P785-A812 HydrophobicContact CG-CB 4.18Å
786	T	89.6	Confident	87.3	Confident	75 Å²	75	43.3 Å²	43.3	46%	0.46	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	163.3	172.2	58.6	0	0	0	0	109.9	C795	T786-C795 PolarHBondContact N-O 3.26Å; T786-C795 VanDerWaalsContact N-O 3.07Å; T786-C795 WeakPolarHBondContact O-CB 3.41Å; T786-C795 PolarHBondContact O-N 3.35Å; T786-C795 VanDerWaalsContact OG1-CB 3.26Å; T786-C795 WeakPolarHBondContact OG1-CB 3.44Å
787	A	87.2	Confident	87.4	Confident	25 Å²	25	41.4 Å²	41.4	21%	0.207	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.1	179	0	0	0	0	0	111.9	F754 T755 Q793	F754-A787 HydrophobicContact CD1-CB 3.81Å; F754-A787 HydrophobicContact CE1-CB 3.59Å; F754-A787 HydrophobicContact CE2-CB 4.42Å; F754-A787 HydrophobicContact CG-CB 4.31Å; F754-A787 HydrophobicContact CZ-CB 3.93Å; F754-A787 WeakPolarHBondContact O-CB 3.29Å; T755-A787 HydrophobicContact CG2-CB 4.22Å; A787-Q793 CarbonylContact C-O 3.52Å; A787-Q793 WeakPolarHBondContact CA-O 3.26Å; A787-Q793 WeakPolarHBondContact CB-O 3.44Å
788	H	78.9	Confident	87.3	Confident	83 Å²	83	41.9 Å²	41.9	38%	0.384	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	94.1	166.6	-57.5	-72.6	0	0	0	108.1	C790 F791 N792 Q793	H788-C790 PolarHBondContact O-N 3.09Å; H788-F791 HydrophobicContact CB-CB 4.48Å; H788-F791 HydrophobicContact CB-CD2 3.91Å; H788-F791 PolarHBondContact O-N 3.4Å; H788-N792 PolarHBondContact O-N 3.37Å; H788-Q793 HydrophobicContact CB-CB 4.26Å; H788-Q793 PolarHBondContact CD2-OE1 3Å; H788-Q793 VanDerWaalsContact CD2-OE1 3.27Å; H788-Q793 PolarHBondContact N-O 3.19Å; H788-Q793 PolarHBondContact O-N 3.5Å
789	T	77	Confident	87.4	Confident	28 Å²	28	41.1 Å²	41.1	17%	0.172	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-54.4	-38.7	-176.9	52.8	0	0	0	0	112.5	F754 T755 F791 N792	F754-T789 WeakPolarHBondContact O-CG2 3.42Å; T755-T789 WeakPolarHBondContact O-CA 3.48Å; T789-F791 PolarHBondContact O-N 3.03Å; T789-F791 VanDerWaalsContact O-N 3.14Å; T789-N792 PolarHBondContact O-N 2.95Å; T789-N792 VanDerWaalsContact O-N 3.12Å
790	C	68.9	Low	87.5	Confident	44 Å²	44	39.6 Å²	39.6	30%	0.297	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57.4	-27.7	177.1	-58.1	0	0	0	0	113.8	E599 P603 H788	E599-C790 PolarHBondContact O-SG 3.14Å; E599-C790 VanDerWaalsContact O-SG 3.33Å; P603-C790 HydrophobicContact CB-CB 4.1Å; P603-C790 VanDerWaalsContact CB-SG 3.57Å; H788-C790 PolarHBondContact O-N 3.09Å
791	F	77.6	Confident	87.3	Confident	99 Å²	99	38.6 Å²	38.6	43%	0.434	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-110.4	9.7	-178	-61.6	-72.4	0	0	0	113	P771 H788 T789 Q793	P771-F791 HydrophobicContact CG-CB 4.4Å; P771-F791 WeakPolarHBondContact CG-O 3.33Å; H788-F791 HydrophobicContact CB-CB 4.48Å; H788-F791 HydrophobicContact CB-CD2 3.91Å; H788-F791 PolarHBondContact O-N 3.4Å; T789-F791 PolarHBondContact O-N 3.03Å; T789-F791 VanDerWaalsContact O-N 3.14Å; F791-Q793 HydrophobicContact CB-CB 3.84Å; F791-Q793 PolarHBondContact O-N 3.37Å
792	N	83.2	Confident	87	Confident	11 Å²	11	36.3 Å²	36.3	6%	0.059	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	43.3	-171.4	-60.5	-44.7	0	0	0	111.5	T755 T756 P771 F773 Q774 H788 T789	T755-N792 VanDerWaalsContact O-CA 3.3Å; T755-N792 WeakPolarHBondContact O-CA 3.2Å; T756-N792 WeakPolarHBondContact CB-OD1 3.18Å; T756-N792 HydrophobicContact CG2-CB 4.32Å; T756-N792 WeakPolarHBondContact CG2-OD1 3.35Å; P771-N792 PolarHBondContact O-ND2 3.42Å; F773-N792 CarbonylContact C-O 3.58Å; F773-N792 WeakPolarHBondContact CA-O 3.12Å; Q774-N792 PolarHBondContact N-O 3.46Å; H788-N792 PolarHBondContact O-N 3.37Å; T789-N792 PolarHBondContact O-N 2.95Å; T789-N792 VanDerWaalsContact O-N 3.12Å
793	Q	89.2	Confident	86.7	Confident	25 Å²	25	39.8 Å²	39.8	12%	0.117	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.5	-163.5	-174.5	173.8	92.4	0	0	112	Q774 I776 A787 H788 F791	Q774-Q793 HydrophobicContact CB-CB 4.37Å; Q774-Q793 HydrophobicContact CB-CG 4.1Å; Q774-Q793 CarbonylContact O-C 3.58Å; Q774-Q793 WeakPolarHBondContact O-CA 3.27Å; Q774-Q793 VanDerWaalsContact OE1-NE2 3.15Å; I776-Q793 HydrophobicContact CD1-CG 4.1Å; I776-Q793 HydrophobicContact CG1-CG 3.76Å; A787-Q793 CarbonylContact C-O 3.52Å; A787-Q793 WeakPolarHBondContact CA-O 3.26Å; A787-Q793 WeakPolarHBondContact CB-O 3.44Å; H788-Q793 HydrophobicContact CB-CB 4.26Å; H788-Q793 PolarHBondContact CD2-OE1 3Å; H788-Q793 VanDerWaalsContact CD2-OE1 3.27Å; H788-Q793 PolarHBondContact N-O 3.19Å; H788-Q793 PolarHBondContact O-N 3.5Å; F791-Q793 HydrophobicContact CB-CB 3.84Å; F791-Q793 PolarHBondContact O-N 3.37Å
794	L	94.2	Very high	86.5	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.2	170	-179.9	67.6	0	0	0	109.4	F736 F754 T755 F773 Q774 I775 I776 P785 L796	F736-L794 HydrophobicContact CD2-CD2 4.38Å; F736-L794 HydrophobicContact CE2-CD2 3.42Å; F736-L794 VanDerWaalsContact CE2-CD2 3.42Å; F736-L794 HydrophobicContact CZ-CD2 3.68Å; F754-L794 HydrophobicContact CD1-CD1 4.21Å; F754-L794 HydrophobicContact CE1-CD1 3.84Å; T755-L794 HydrophobicContact CG2-CB 3.95Å; T755-L794 HydrophobicContact CG2-CD1 3.99Å; T755-L794 HydrophobicContact CG2-CG 4.47Å; F773-L794 HydrophobicContact CE1-CB 4.21Å; F773-L794 HydrophobicContact CZ-CB 4.29Å; Q774-L794 PolarHBondContact O-N 3.46Å; I775-L794 CarbonylContact C-O 3.47Å; I775-L794 WeakPolarHBondContact CA-O 3.45Å; I776-L794 PolarHBondContact N-O 2.8Å; P785-L794 HydrophobicContact CB-CD1 4.04Å; L794-L796 HydrophobicContact CD2-CD1 4.44Å
795	C	93.4	Very high	86.3	Confident	13 Å²	13	36.8 Å²	36.8	9%	0.088	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	102.8	171.9	-67.8	0	0	0	0	108.3	I776 A778 P785 T786 P797	I776-C795 CarbonylContact O-C 3.57Å; I776-C795 WeakPolarHBondContact O-CA 3.2Å; A778-C795 HydrophobicContact CB-CB 4.33Å; P785-C795 WeakPolarHBondContact CA-O 3.45Å; T786-C795 PolarHBondContact N-O 3.26Å; T786-C795 VanDerWaalsContact N-O 3.07Å; T786-C795 WeakPolarHBondContact O-CB 3.41Å; T786-C795 PolarHBondContact O-N 3.35Å; T786-C795 VanDerWaalsContact OG1-CB 3.26Å; T786-C795 WeakPolarHBondContact OG1-CB 3.44Å; C795-P797 WeakPolarHBondContact O-CD 3.49Å
796	L	94.7	Very high	85.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.8	-176.5	-163.2	73.1	0	0	0	110.3	F728 V732 M733 F736 I775 I776 A777 A778 P785 L794 Y799	F728-L796 HydrophobicContact CE2-CB 4.03Å; F728-L796 HydrophobicContact CE2-CD2 4.25Å; F728-L796 HydrophobicContact CE2-CG 4.39Å; F728-L796 VanDerWaalsContact CE2-O 3.23Å; F728-L796 WeakPolarHBondContact CE2-O 3.27Å; F728-L796 HydrophobicContact CZ-CB 4.17Å; V732-L796 HydrophobicContact CG1-CD2 3.7Å; V732-L796 HydrophobicContact CG1-CG 4.45Å; M733-L796 HydrophobicContact CE-CD2 3.34Å; F736-L796 HydrophobicContact CB-CD2 4.11Å; F736-L796 HydrophobicContact CD2-CD1 4.4Å; F736-L796 HydrophobicContact CD2-CD2 3.95Å; F736-L796 HydrophobicContact CG-CD2 4.19Å; I775-L796 HydrophobicContact CG2-CB 4.22Å; I776-L796 PolarHBondContact O-N 2.91Å; A777-L796 WeakPolarHBondContact CA-O 3.33Å; A778-L796 PolarHBondContact N-O 2.99Å; P785-L796 HydrophobicContact CB-CD1 4.12Å; P785-L796 HydrophobicContact CG-CD1 3.9Å; L794-L796 HydrophobicContact CD2-CD1 4.44Å; L796-Y799 HydrophobicContact CD1-CE2 4.03Å; L796-Y799 HydrophobicContact CG-CE2 4.12Å
797	P	93.7	Very high	85.6	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	167.1	171.2	-25.6	36.2	0	0	0	113	A778 T780 T783 C795 Y799	A778-P797 HydrophobicContact CB-CG 4.34Å; T780-P797 WeakPolarHBondContact O-CA 3.25Å; T780-P797 WeakPolarHBondContact O-CB 3.1Å; T783-P797 WeakPolarHBondContact O-CG 3.5Å; T783-P797 WeakPolarHBondContact OG1-CG 3.41Å; C795-P797 WeakPolarHBondContact O-CD 3.49Å; P797-Y799 HydrophobicContact CB-CE1 4.23Å; P797-Y799 HydrophobicContact CB-CE2 4.13Å; P797-Y799 WeakPolarHBondContact CD-OH 3.44Å; P797-Y799 WeakPolarHBondContact CG-OH 3.5Å; P797-Y799 WeakPolarHBondContact O-CD2 3.43Å; P797-Y799 WeakPolarHBondContact O-CE2 3.32Å
798	T	92.7	Very high	85.7	Confident	31 Å²	31	39.4 Å²	39.4	19%	0.19	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	142.8	163.4	51.8	0	0	0	0	110.6	F728 T780 H781 S782	F728-T798 HydrophobicContact CB-CG2 4.31Å; F728-T798 HydrophobicContact CD2-CG2 4.19Å; T780-T798 PolarHBondContact O-N 2.76Å; T780-T798 PolarHBondContact O-OG1 2.67Å; H781-T798 WeakPolarHBondContact CA-O 3.47Å; S782-T798 PolarHBondContact N-O 2.88Å
799	Y	92.3	Very high	86.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.			trans	-131	159.5	178.3	-60.9	-71.7	0	0	0	109.9	H727 V732 W735 T783 P785 L796 P797 E804 V805 M808	H727-Y799 PolarHBondContact NE2-O 3.09Å; V732-Y799 HydrophobicContact CG1-CD2 4.12Å; W735-Y799 WeakPolarHBondContact CZ3-O 3.39Å; T783-Y799 WeakPolarHBondContact O-CE1 3.44Å; T783-Y799 PolarHBondContact O-OH 2.85Å; P785-Y799 VanDerWaalsContact CD-OH 3.31Å; P785-Y799 WeakPolarHBondContact CD-OH 3.49Å; P785-Y799 WeakPolarHBondContact CG-OH 3.43Å; L796-Y799 HydrophobicContact CD1-CE2 4.03Å; L796-Y799 HydrophobicContact CG-CE2 4.12Å; P797-Y799 HydrophobicContact CB-CE1 4.23Å; P797-Y799 HydrophobicContact CB-CE2 4.13Å; P797-Y799 WeakPolarHBondContact CD-OH 3.44Å; P797-Y799 WeakPolarHBondContact CG-OH 3.5Å; P797-Y799 WeakPolarHBondContact O-CD2 3.43Å; P797-Y799 WeakPolarHBondContact O-CE2 3.32Å; Y799-E804 WeakPolarHBondContact CA-OE2 3.27Å; Y799-E804 WeakPolarHBondContact CB-OE2 3.26Å; Y799-E804 HydrophobicContact CD1-CB 4.32Å; Y799-E804 HydrophobicContact CD1-CG 3.59Å; Y799-E804 HydrophobicContact CE1-CG 4.33Å; Y799-E804 HydrophobicContact CG-CG 4.3Å; Y799-V805 HydrophobicContact CD2-CB 4.33Å; Y799-V805 HydrophobicContact CD2-CG2 3.52Å; Y799-V805 HydrophobicContact CE2-CG2 4.37Å; Y799-V805 HydrophobicContact CG-CG2 3.86Å; Y799-M808 HydrophobicContact CD1-CG 4.45Å; Y799-M808 HydrophobicContact CE1-CB 3.89Å; Y799-M808 HydrophobicContact CE1-CG 3.69Å
800	D	88.9	Confident	86.6	Confident	106 Å²	106	35.6 Å²	35.6	57%	0.567	18%	0.175	S	C	*	.	S	Bend	trans	-94.1	-18.2	-177.2	-68.3	-22.7	0	0	0	112.7	W735 H781 E804	W735-D800 VanDerWaalsContact CH2-O 3.29Å; W735-D800 WeakPolarHBondContact CH2-O 3.22Å; H781-D800 IonicContact CD2-OD1 3.92Å; H781-D800 IonicContact CE1-OD1 3.89Å; H781-D800 IonicContact CE1-OD2 3.86Å; H781-D800 PolarHBondContact CE1-OD2 3.48Å; H781-D800 VanDerWaalsContact NE2-CG 3.31Å; H781-D800 IonicContact NE2-OD1 2.79Å; H781-D800 PolarHBondContact NE2-OD1 3.1Å; H781-D800 IonicContact NE2-OD2 2.65Å; H781-D800 PolarHBondContact NE2-OD2 2.94Å; D800-E804 PolarHBondContact N-OE2 2.89Å
801	S	84.4	Confident	87.3	Confident	36 Å²	36	36 Å²	36	25%	0.252	17%	0.173	S	C	.	.	S	Bend	trans	-146.6	164.9	-178.5	93.9	0	0	0	0	113.9	E803 E804 V805	S801-E803 VanDerWaalsContact C-N 3.32Å; S801-E803 WeakPolarHBondContact CB-OE2 3.39Å; S801-E803 PolarHBondContact OG-N 3.24Å; S801-E803 PolarHBondContact OG-OE2 3.44Å; S801-E804 PolarHBondContact O-N 3.44Å; S801-E804 PolarHBondContact OG-N 3.17Å; S801-V805 PolarHBondContact O-N 3.09Å
802	Y	84.7	Confident	87.7	Confident	44 Å²	44	31.2 Å²	31.2	17%	0.173	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-42.3	173.7	163.9	-96.9	0	0	0	111.6	W735 T738 V739 E804 V805 H806	W735-Y802 HydrophobicContact CB-CD2 3.98Å; W735-Y802 HydrophobicContact CG-CD2 4.28Å; T738-Y802 HydrophobicContact CG2-CD2 4.36Å; T738-Y802 HydrophobicContact CG2-CE2 3.61Å; V739-Y802 HydrophobicContact CG2-CD2 4.04Å; V739-Y802 HydrophobicContact CG2-CE2 3.41Å; V739-Y802 VanDerWaalsContact CG2-CE2 3.41Å; Y802-E804 PolarHBondContact O-N 3.45Å; Y802-V805 WeakPolarHBondContact O-CB 3.42Å; Y802-V805 PolarHBondContact O-N 2.91Å; Y802-H806 WeakPolarHBondContact O-CB 3.24Å; Y802-H806 PolarHBondContact O-N 2.95Å
803	E	80.1	Confident	87.8	Confident	111 Å²	111	30.9 Å²	30.9	52%	0.519	15%	0.151	S	C	.	.	H	α-helix	trans	-61.8	-37	-177.6	-59.1	72.1	-155.7	0	0	110.9	S801 H806 R807	S801-E803 VanDerWaalsContact C-N 3.32Å; S801-E803 WeakPolarHBondContact CB-OE2 3.39Å; S801-E803 PolarHBondContact OG-N 3.24Å; S801-E803 PolarHBondContact OG-OE2 3.44Å; E803-H806 PolarHBondContact O-N 3.39Å; E803-R807 VanDerWaalsContact O-CB 3.29Å; E803-R807 WeakPolarHBondContact O-CB 3.24Å; E803-R807 PolarHBondContact O-N 2.87Å
804	E	83.1	Confident	87.2	Confident	40 Å²	40	32.8 Å²	32.8	19%	0.187	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-45.5	176.8	-164.9	180	-157.2	0	0	111.9	S782 Y799 D800 S801 Y802 H806 R807 M808	S782-E804 WeakPolarHBondContact CB-OE1 3.26Å; S782-E804 PolarHBondContact OG-OE1 2.85Å; Y799-E804 WeakPolarHBondContact CA-OE2 3.27Å; Y799-E804 WeakPolarHBondContact CB-OE2 3.26Å; Y799-E804 HydrophobicContact CD1-CB 4.32Å; Y799-E804 HydrophobicContact CD1-CG 3.59Å; Y799-E804 HydrophobicContact CE1-CG 4.33Å; Y799-E804 HydrophobicContact CG-CG 4.3Å; D800-E804 PolarHBondContact N-OE2 2.89Å; S801-E804 PolarHBondContact O-N 3.44Å; S801-E804 PolarHBondContact OG-N 3.17Å; Y802-E804 PolarHBondContact O-N 3.45Å; E804-H806 VanDerWaalsContact C-N 3.29Å; E804-H806 PolarHBondContact O-N 2.8Å; E804-R807 PolarHBondContact O-N 2.79Å; E804-M808 HydrophobicContact CG-CG 4.32Å; E804-M808 WeakPolarHBondContact O-CB 3.29Å; E804-M808 VanDerWaalsContact O-CG 3.28Å; E804-M808 WeakPolarHBondContact O-CG 3.34Å; E804-M808 PolarHBondContact O-N 3.33Å
805	V	86.6	Confident	85.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-48	172.7	176.6	0	0	0	0	110.3	V732 W735 F736 V739 Y799 S801 Y802 L809	V732-V805 HydrophobicContact CG1-CG2 4.22Å; W735-V805 HydrophobicContact CB-CB 4.3Å; W735-V805 HydrophobicContact CB-CG1 4.48Å; W735-V805 HydrophobicContact CB-CG2 3.97Å; W735-V805 HydrophobicContact CE3-CG2 3.89Å; F736-V805 HydrophobicContact CB-CG1 4.34Å; V739-V805 HydrophobicContact CG2-CG1 4.24Å; Y799-V805 HydrophobicContact CD2-CB 4.33Å; Y799-V805 HydrophobicContact CD2-CG2 3.52Å; Y799-V805 HydrophobicContact CE2-CG2 4.37Å; Y799-V805 HydrophobicContact CG-CG2 3.86Å; S801-V805 PolarHBondContact O-N 3.09Å; Y802-V805 WeakPolarHBondContact O-CB 3.42Å; Y802-V805 PolarHBondContact O-N 2.91Å; V805-L809 WeakPolarHBondContact O-CB 3.23Å; V805-L809 PolarHBondContact O-N 2.84Å
806	H	83.8	Confident	84.2	Confident	8 Å²	8	36.8 Å²	36.8	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-50.7	-179.2	175.4	-82.9	0	0	0	111.2	K167 V739 Y802 E803 E804 Q810	K167-H806 WeakPolarHBondContact CE-CE1 3.48Å; K167-H806 PolarHBondContact NZ-CE1 3.39Å; K167-H806 PolarHBondContact NZ-NE2 3.42Å; V739-H806 HydrophobicContact CG1-CB 4.36Å; V739-H806 HydrophobicContact CG2-CB 3.56Å; Y802-H806 WeakPolarHBondContact O-CB 3.24Å; Y802-H806 PolarHBondContact O-N 2.95Å; E803-H806 PolarHBondContact O-N 3.39Å; E804-H806 VanDerWaalsContact C-N 3.29Å; E804-H806 PolarHBondContact O-N 2.8Å; H806-Q810 PolarHBondContact CE1-OE1 2.78Å; H806-Q810 WeakPolarHBondContact O-CB 3.21Å; H806-Q810 WeakPolarHBondContact O-CG 3.35Å; H806-Q810 PolarHBondContact O-N 3.43Å
807	R	82.9	Confident	82	Confident	115 Å²	115	38.1 Å²	38.1	43%	0.434	20%	0.197	S	C	.	.	H	α-helix	trans	-59.7	-51	179.5	-178.9	-177.9	178.5	-178	-1.2	111.9	E803 E804 Q810 L811	E803-R807 VanDerWaalsContact O-CB 3.29Å; E803-R807 WeakPolarHBondContact O-CB 3.24Å; E803-R807 PolarHBondContact O-N 2.87Å; E804-R807 PolarHBondContact O-N 2.79Å; R807-Q810 PolarHBondContact O-N 3.19Å; R807-L811 WeakPolarHBondContact O-CB 3.17Å; R807-L811 PolarHBondContact O-N 2.81Å
808	M	89.1	Confident	79.6	Confident	33 Å²	33	42.3 Å²	42.3	16%	0.163	22%	0.217	C	C	.	.	H	α-helix	trans	-70.3	-36.7	-175	-65	-63.2	-175.4	0	0	112	L784 P785 Y799 E804 A812	L784-M808 HydrophobicContact CD2-SD 4.29Å; P785-M808 WeakPolarHBondContact CD-O 3.17Å; Y799-M808 HydrophobicContact CD1-CG 4.45Å; Y799-M808 HydrophobicContact CE1-CB 3.89Å; Y799-M808 HydrophobicContact CE1-CG 3.69Å; E804-M808 HydrophobicContact CG-CG 4.32Å; E804-M808 WeakPolarHBondContact O-CB 3.29Å; E804-M808 VanDerWaalsContact O-CG 3.28Å; E804-M808 WeakPolarHBondContact O-CG 3.34Å; E804-M808 PolarHBondContact O-N 3.33Å; M808-A812 WeakPolarHBondContact O-CB 3.15Å; M808-A812 PolarHBondContact O-N 2.66Å
809	L	90.5	Very high	76.8	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-44.3	173.9	-173.2	64.6	0	0	0	111.6	F736 V739 V740 L751 P785 V805 L811 A812 I813	F736-L809 HydrophobicContact CD2-CD2 3.94Å; F736-L809 HydrophobicContact CE2-CD1 4.26Å; F736-L809 HydrophobicContact CE2-CD2 3.76Å; V739-L809 HydrophobicContact CG1-CD2 3.85Å; V740-L809 HydrophobicContact CG2-CD2 4.35Å; L751-L809 HydrophobicContact CD1-CD1 4.06Å; P785-L809 HydrophobicContact CG-CD1 4.37Å; V805-L809 WeakPolarHBondContact O-CB 3.23Å; V805-L809 PolarHBondContact O-N 2.84Å; L809-L811 VanDerWaalsContact C-N 3.33Å; L809-L811 PolarHBondContact O-N 2.65Å; L809-A812 PolarHBondContact O-N 3.22Å; L809-I813 HydrophobicContact CD1-CG2 4.36Å; L809-I813 WeakPolarHBondContact O-CG1 3.35Å; L809-I813 WeakPolarHBondContact O-CG2 3.32Å; L809-I813 PolarHBondContact O-N 2.81Å; L809-I813 VanDerWaalsContact O-N 3.07Å
810	Q	84.5	Confident	74.1	Confident	30 Å²	30	48.3 Å²	48.3	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-45.9	175.8	-79	-158.1	-44.9	0	0	111.2	K167 E747 H806 R807 I813 S814	K167-Q810 VanDerWaalsContact NZ-NE2 3.11Å; K167-Q810 VanDerWaalsContact NZ-OE1 3.17Å; E747-Q810 PolarHBondContact OE1-NE2 2.81Å; H806-Q810 PolarHBondContact CE1-OE1 2.78Å; H806-Q810 WeakPolarHBondContact O-CB 3.21Å; H806-Q810 WeakPolarHBondContact O-CG 3.35Å; H806-Q810 PolarHBondContact O-N 3.43Å; R807-Q810 PolarHBondContact O-N 3.19Å; Q810-I813 WeakPolarHBondContact O-CG1 3.35Å; Q810-I813 PolarHBondContact O-N 3Å; Q810-S814 WeakPolarHBondContact O-CB 3.31Å; Q810-S814 PolarHBondContact O-N 3.29Å; Q810-S814 PolarHBondContact O-OG 3.11Å
811	L	83.1	Confident	71.2	Confident	51 Å²	51	45.2 Å²	45.2	27%	0.267	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-47.5	178.6	-166.5	63.4	0	0	0	111.7	L784 R807 L809 I813 S814 E815	L784-L811 HydrophobicContact CD2-CB 3.98Å; L784-L811 HydrophobicContact CD2-CD2 3.83Å; L784-L811 HydrophobicContact CD2-CG 4Å; R807-L811 WeakPolarHBondContact O-CB 3.17Å; R807-L811 PolarHBondContact O-N 2.81Å; L809-L811 VanDerWaalsContact C-N 3.33Å; L809-L811 PolarHBondContact O-N 2.65Å; L811-I813 PolarHBondContact O-N 3.08Å; L811-S814 PolarHBondContact O-N 3.33Å; L811-S814 PolarHBondContact O-OG 2.78Å; L811-E815 HydrophobicContact CD1-CG 4.03Å; L811-E815 WeakPolarHBondContact CD1-OE1 3.46Å; L811-E815 VanDerWaalsContact CD1-OE2 3.27Å; L811-E815 WeakPolarHBondContact CD1-OE2 3.39Å; L811-E815 WeakPolarHBondContact O-CB 3.28Å; L811-E815 PolarHBondContact O-N 3.41Å
812	A	86.5	Confident	68.4	Low	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-40.6	178.3	0	0	0	0	0	113.4	F754 L784 P785 M808 L809 G816	F754-A812 HydrophobicContact CE1-CB 4.35Å; F754-A812 HydrophobicContact CZ-CB 4.1Å; L784-A812 HydrophobicContact CD2-CB 4.32Å; P785-A812 HydrophobicContact CB-CB 4.3Å; P785-A812 HydrophobicContact CG-CB 4.18Å; M808-A812 WeakPolarHBondContact O-CB 3.15Å; M808-A812 PolarHBondContact O-N 2.66Å; L809-A812 PolarHBondContact O-N 3.22Å; A812-G816 WeakPolarHBondContact O-CA 3.37Å; A812-G816 PolarHBondContact O-N 3.18Å
813	I	86.1	Confident	65.7	Low	4 Å²	4	56.4 Å²	56.4	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-82.2	-22.2	-179.5	70	-180	0	0	0	113.2	L743 E747 R750 L751 F754 L809 Q810 L811	L743-I813 HydrophobicContact CD1-CD1 4.31Å; E747-I813 HydrophobicContact CB-CD1 4.17Å; R750-I813 HydrophobicContact CB-CB 4.2Å; R750-I813 WeakPolarHBondContact CD-O 3.45Å; L751-I813 HydrophobicContact CB-CG2 4.08Å; L751-I813 HydrophobicContact CD1-CG2 3.85Å; F754-I813 HydrophobicContact CB-CG2 4.37Å; F754-I813 HydrophobicContact CD1-CG2 4.4Å; F754-I813 HydrophobicContact CG-CG2 4.47Å; L809-I813 HydrophobicContact CD1-CG2 4.36Å; L809-I813 WeakPolarHBondContact O-CG1 3.35Å; L809-I813 WeakPolarHBondContact O-CG2 3.32Å; L809-I813 PolarHBondContact O-N 2.81Å; L809-I813 VanDerWaalsContact O-N 3.07Å; Q810-I813 WeakPolarHBondContact O-CG1 3.35Å; Q810-I813 PolarHBondContact O-N 3Å; L811-I813 PolarHBondContact O-N 3.08Å
814	S	75.2	Confident	65	Low	65 Å²	65	53.7 Å²	53.7	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-85.5	-38	176.5	61.2	0	0	0	0	112.6	Q810 L811	Q810-S814 WeakPolarHBondContact O-CB 3.31Å; Q810-S814 PolarHBondContact O-N 3.29Å; Q810-S814 PolarHBondContact O-OG 3.11Å; L811-S814 PolarHBondContact O-N 3.33Å; L811-S814 PolarHBondContact O-OG 2.78Å
815	E	68.3	Low	64	Low	82 Å²	82	54.4 Å²	54.4	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-108.8	-29.4	-173.9	-62.2	-176.9	-176.7	0	0	113	L811 C817 E818	L811-E815 HydrophobicContact CD1-CG 4.03Å; L811-E815 WeakPolarHBondContact CD1-OE1 3.46Å; L811-E815 VanDerWaalsContact CD1-OE2 3.27Å; L811-E815 WeakPolarHBondContact CD1-OE2 3.39Å; L811-E815 WeakPolarHBondContact O-CB 3.28Å; L811-E815 PolarHBondContact O-N 3.41Å; E815-C817 PolarHBondContact O-N 3.01Å; E815-C817 VanDerWaalsContact O-N 3.1Å; E815-E818 WeakPolarHBondContact O-CB 3.36Å; E815-E818 PolarHBondContact O-N 2.79Å
816	G	56.7	Low	62.8	Low	14 Å²	14	57.4 Å²	57.4	14%	0.144	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-6.3	-177	0	0	0	0	0	115.6	A812 E818	A812-G816 WeakPolarHBondContact O-CA 3.37Å; A812-G816 PolarHBondContact O-N 3.18Å; G816-E818 VanDerWaalsContact C-N 3.32Å
817	C	48.2	Very low	61.5	Low	29 Å²	29	60.3 Å²	60.3	20%	0.196	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-23.2	167.5	-68.6	0	0	0	0	112.2	N698 E815 G819	N698-C817 HydrophobicContact CB-CB 4.33Å; N698-C817 PolarHBondContact ND2-O 2.97Å; E815-C817 PolarHBondContact O-N 3.01Å; E815-C817 VanDerWaalsContact O-N 3.1Å; C817-G819 PolarHBondContact O-N 3.48Å
818	E	43.1	Very low	60.2	Low	89 Å²	89	56.9 Å²	56.9	42%	0.416	33%	0.33	S	S	.	.	S	Bend	trans	-83.6	100.2	167.6	-58.5	-170.2	-175.2	0	0	106.5	K386 E815 G816 F820	K386-E818 IonicContact NZ-OE2 3.76Å; K386-E818 PolarHBondContact NZ-OE2 2.79Å; E815-E818 WeakPolarHBondContact O-CB 3.36Å; E815-E818 PolarHBondContact O-N 2.79Å; G816-E818 VanDerWaalsContact C-N 3.32Å; E818-F820 PolarHBondContact O-N 3.22Å; E818-F820 VanDerWaalsContact O-N 3.07Å
819	G	35	Very low	58.3	Low	65 Å²	65	58.5 Å²	58.5	67%	0.67	34%	0.342	S	S	*	.			trans	-44.9	119.1	-170.9	0	0	0	0	0	113.1	C817 G821	C817-G819 PolarHBondContact O-N 3.48Å; G819-G821 PolarHBondContact O-N 3.19Å
820	F	35.6	Very low	55.9	Low	92 Å²	92	62.6 Å²	62.6	40%	0.404	37%	0.366	S	S	.	.			trans	-56.2	102.3	-177.8	-71	-81.3	0	0	0	111.3	L784 E818 L823	L784-F820 HydrophobicContact CD1-CE1 3.99Å; L784-F820 HydrophobicContact CD1-CZ 3.95Å; E818-F820 PolarHBondContact O-N 3.22Å; E818-F820 VanDerWaalsContact O-N 3.07Å; F820-L823 HydrophobicContact CD1-CB 3.94Å; F820-L823 HydrophobicContact CD1-CD1 4.44Å; F820-L823 HydrophobicContact CE1-CB 4.06Å; F820-L823 HydrophobicContact CE1-CD1 3.91Å
821	G	28.6	Very low	53.8	Low	41 Å²	41	65.1 Å²	65.1	42%	0.423	38%	0.383	S	S	.	.	S	Bend	trans	-96	-26.3	161.6	0	0	0	0	0	112.9	G819	G819-G821 PolarHBondContact O-N 3.19Å
822	M	24.9	Very low	51.3	Low	140 Å²	140	66.3 Å²	66.3	69%	0.69	39%	0.393	S	S	*	.			trans	-157.6	83.8	177.5	-76.9	-154.4	-85.2	0	0	112.1	S388	S388-M822 WeakPolarHBondContact OG-CE 3.29Å
823	L	27.4	Very low	48.1	Very low	174 Å²	174	72.3 Å²	72.3	91%	0.911	43%	0.428	S	S	*	.			trans	-145.2	0	141.3	-80.5	172.9	0	0	0	105.6	F820	F820-L823 HydrophobicContact CD1-CB 3.94Å; F820-L823 HydrophobicContact CD1-CD1 4.44Å; F820-L823 HydrophobicContact CE1-CB 4.06Å; F820-L823 HydrophobicContact CE1-CD1 3.91Å

Retrieved 823 of 823 residues in 1508.8 ms (Link to these results)

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