A0A096M0G7_POEFO Loading...

Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein

GTPase-activating protein for the ADP ribosylation factor family.

AlphaFold DB , UniProt , Accession A0A096M0G7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 837 aa.

						>A0A096M0G7_POEFO|A0A096M0G7
MKITVDFEECLKDSPRFRATIEEVEGDVCELESKLDKLVKLCIGMIDAGKAYNAANKQFVNGIRELAQQSAKDEVIESSLTKFAESLQEMINYHTILFDQAQRSIKTQLQTFVKDDLRKFKEAKKQFDKVSEEKENALIKNAQAPRNKQHEVEEATNILTATRKCFRHIVLDYVLQINVLQSKRRSEILKSMLSFMYAHLTFFHQGYDLFSELQPLMKQLGGQLDQLVVDAAKEKRDMEQKHSTIQQKAALQDFSNDDTKLEYNVDADNGIAMEGYLFKRASNAFKTWNRRWFSIQNNQLVYQKKFKDNPTVVVEDLRLCTVKHCEDIERRFCFEVVSPTKSCMMQADSEKLRQAWIKAVQNSIATAFRDKGDSGEKLDRKSSTSTGSLDSGGEPKERSLKGESALQKVLAIPGNACCCDCGQPDPRWASINLGITLCIQCSGIHRSLGVHFSKVRSLTLDSWEPELLKLMCELGNRVINQIYEARREELGARKPQPGDPRHEVEAYIKAKYVDRRFVRRPSDEELRNKVVSLSKEEKRLSSSSDHLPPKAPPPTPKLRPGSHASGQSAAACGKEARRDSLFCPDELDSLFSYFDTSSKLRSMKSADSGIQNSADGSREMLATTPSSNSLADAEAAEAPPVPATLPTASPCKEVVFFEPKEYSPGLQLYWASFSRSLPDMAEALAHGAEVNWVNTEEDKRTPLIMAVHGGSLVTCEFLLQNAVNVNQLDAQGRGPLHHATMLGHTGQVCLFLKRGANQNAADIDEKTPLSIAVEAANADIVTLLRLAKMNEEMREAEGPYNPSGDETYQDIFQDFTHMASNDPDKLNRYQQYDPQRP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50	Low	76.7	Confident	172 Å²	172	85.8 Å²	85.8	85%	0.847	42%	0.419	S	S	*	.				0	128.1	0	-171.9	169.2	119.2	0	0	107	I3 S182	M1-I3 PolarHBondContact O-N 2.64Å; M1-S182 VanDerWaalsContact CE-CB 3.47Å
2	K	53.6	Low	77.8	Confident	196 Å²	196	89.3 Å²	89.3	85%	0.852	43%	0.43	S	S	*	.			trans	-76.9	109.5	-178.1	-163.3	178.3	-176.7	-173.4	0	107.9	T4	K2-T4 PolarHBondContact O-N 2.93Å
3	I	65.6	Low	78.8	Confident	102 Å²	102	85.5 Å²	85.5	52%	0.523	41%	0.413	S	S	.	.			trans	-57.8	125	173.2	-64.5	174	0	0	0	106.7	M1 V5	M1-I3 PolarHBondContact O-N 2.64Å; I3-V5 WeakPolarHBondContact CG2-O 3.26Å
4	T	72.6	Confident	79.7	Confident	61 Å²	61	81 Å²	81	37%	0.374	40%	0.395	S	S	.	.	S	Bend	trans	-89.5	-34.5	-174	-54.9	0	0	0	0	110.5	K2 V24 N178	K2-T4 PolarHBondContact O-N 2.93Å; T4-V24 HydrophobicContact CG2-CG2 3.98Å; T4-N178 PolarHBondContact N-OD1 3.02Å
5	V	83.4	Confident	80.5	Confident	3 Å²	3	83.4 Å²	83.4	2%	0.018	42%	0.419	C	S	.	.	S	Bend	trans	-128.1	122.9	172.6	-174.9	0	0	0	0	108.4	I3 F17 T20 I21 V24 V174 I177 N178	I3-V5 WeakPolarHBondContact CG2-O 3.26Å; V5-F17 HydrophobicContact CG1-CD2 3.93Å; V5-F17 HydrophobicContact CG1-CE2 3.59Å; V5-T20 HydrophobicContact CG2-CG2 4.18Å; V5-I21 HydrophobicContact CG1-CD1 3.98Å; V5-I21 HydrophobicContact CG2-CD1 4.35Å; V5-V24 HydrophobicContact CG2-CG2 4.26Å; V5-V174 HydrophobicContact CB-CG1 4.15Å; V5-V174 HydrophobicContact CG1-CG1 4.05Å; V5-V174 HydrophobicContact CG1-CG2 3.9Å; V5-V174 WeakPolarHBondContact O-CG1 3.45Å; V5-I177 HydrophobicContact CB-CG2 4.47Å; V5-I177 HydrophobicContact CG2-CG2 3.82Å; V5-N178 PolarHBondContact O-ND2 2.89Å
6	D	85.8	Confident	81	Confident	74 Å²	74	90.4 Å²	90.4	40%	0.396	44%	0.439	S	S	.	.			trans	-77.6	136.9	-176.1	-174.5	7.6	0	0	0	112.1	E8 E9 C10	D6-E8 VanDerWaalsContact C-N 3.34Å; D6-E8 PolarHBondContact OD1-N 3.47Å; D6-E9 HydrophobicContact CB-CB 4.46Å; D6-C10 PolarHBondContact O-N 3.46Å
7	F	87.3	Confident	81.7	Confident	74 Å²	74	85.4 Å²	85.4	33%	0.325	42%	0.415	S	S	.	.	H	α-helix	trans	-71	-26.9	176.6	-68.5	-78.5	0	0	0	112.3	C10 L171 V174 L175	F7-C10 PolarHBondContact O-SG 3.32Å; F7-L171 HydrophobicContact CB-CD2 4.36Å; F7-L171 HydrophobicContact CD1-CD2 3.77Å; F7-V174 HydrophobicContact CD1-CB 4.24Å; F7-V174 HydrophobicContact CD1-CG1 3.69Å; F7-V174 HydrophobicContact CE1-CB 4.1Å; F7-V174 HydrophobicContact CE1-CG1 3.65Å; F7-V174 HydrophobicContact CG-CG1 4.21Å; F7-V174 HydrophobicContact CZ-CG1 4.13Å; F7-L175 HydrophobicContact CE1-CB 4.29Å; F7-L175 HydrophobicContact CZ-CB 4.38Å; F7-L175 HydrophobicContact CZ-CD1 4.48Å
8	E	85.3	Confident	82.3	Confident	135 Å²	135	84.7 Å²	84.7	63%	0.631	41%	0.407	S	S	*	.	H	α-helix	trans	-73.6	-38.7	177.8	-67.6	-166.8	-175.3	0	0	112.7	D6	D6-E8 VanDerWaalsContact C-N 3.34Å; D6-E8 PolarHBondContact OD1-N 3.47Å
9	E	85.1	Confident	82.8	Confident	48 Å²	48	83.1 Å²	83.1	22%	0.224	41%	0.409	C	S	.	.	H	α-helix	trans	-69.8	-32.1	177.6	-77	-62.4	122.7	0	0	112.7	D6 L11 K12 D13 S14 F17	D6-E9 HydrophobicContact CB-CB 4.46Å; E9-L11 VanDerWaalsContact C-N 3.25Å; E9-L11 PolarHBondContact O-N 3.19Å; E9-K12 WeakPolarHBondContact O-CB 3.48Å; E9-K12 PolarHBondContact O-N 3.49Å; E9-K12 WeakPolarHBondContact OE1-CD 3.49Å; E9-K12 WeakPolarHBondContact OE1-CE 3.34Å; E9-K12 IonicContact OE1-NZ 3.36Å; E9-K12 PolarHBondContact OE1-NZ 3.32Å; E9-D13 PolarHBondContact O-N 3.23Å; E9-D13 VanDerWaalsContact O-N 3.16Å; E9-S14 PolarHBondContact OE2-OG 3.46Å; E9-F17 HydrophobicContact CB-CB 4.33Å
10	C	87.4	Confident	83.2	Confident	0 Å²	0	81 Å²	81	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-65.1	-28.5	-179.5	87.9	0	0	0	0	113.3	D6 F7 D13 F17 V170 V174	D6-C10 PolarHBondContact O-N 3.46Å; F7-C10 PolarHBondContact O-SG 3.32Å; C10-D13 PolarHBondContact O-N 2.69Å; C10-F17 HydrophobicContact CB-CD2 3.87Å; C10-F17 HydrophobicContact CB-CE1 4.25Å; C10-F17 HydrophobicContact CB-CE2 3.29Å; C10-F17 HydrophobicContact CB-CZ 3.52Å; C10-V170 HydrophobicContact CB-CG1 4.41Å; C10-V170 HydrophobicContact CB-CG2 3.84Å; C10-V174 HydrophobicContact CB-CG2 3.83Å
11	L	88	Confident	83.7	Confident	79 Å²	79	77.3 Å²	77.3	41%	0.414	38%	0.383	S	S	.	.	H	α-helix	trans	-77.4	-21.4	175.4	-64.2	178.7	0	0	0	113.2	E9 R167 L171	E9-L11 VanDerWaalsContact C-N 3.25Å; E9-L11 PolarHBondContact O-N 3.19Å; L11-R167 HydrophobicContact CD2-CB 4.12Å; L11-R167 HydrophobicContact CD2-CG 3.9Å; L11-L171 HydrophobicContact CD2-CD1 4.32Å; L11-L171 HydrophobicContact CD2-CD2 4.32Å; L11-L171 HydrophobicContact CD2-CG 4.24Å
12	K	89	Confident	85.7	Confident	127 Å²	127	75.9 Å²	75.9	55%	0.552	37%	0.374	S	S	*	.	H	α-helix	trans	-83.2	-22.6	174.6	-59.1	173.1	-159.7	166.1	0	112	E9 S14	E9-K12 WeakPolarHBondContact O-CB 3.48Å; E9-K12 PolarHBondContact O-N 3.49Å; E9-K12 WeakPolarHBondContact OE1-CD 3.49Å; E9-K12 WeakPolarHBondContact OE1-CE 3.34Å; E9-K12 IonicContact OE1-NZ 3.36Å; E9-K12 PolarHBondContact OE1-NZ 3.32Å; K12-S14 VanDerWaalsContact C-N 3.27Å; K12-S14 PolarHBondContact O-N 3.48Å
13	D	90.8	Very high	87.5	Confident	41 Å²	41	73.1 Å²	73.1	22%	0.219	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	45	-174.6	-161.8	32.2	0	0	0	113.1	E9 C10 R18 K134 F166	E9-D13 PolarHBondContact O-N 3.23Å; E9-D13 VanDerWaalsContact O-N 3.16Å; C10-D13 PolarHBondContact O-N 2.69Å; D13-R18 VanDerWaalsContact CG-NH2 3.33Å; D13-R18 IonicContact OD1-CZ 3.06Å; D13-R18 VanDerWaalsContact OD1-CZ 3.25Å; D13-R18 IonicContact OD1-NE 3.7Å; D13-R18 PolarHBondContact OD1-NE 3.12Å; D13-R18 IonicContact OD1-NH2 3.88Å; D13-R18 PolarHBondContact OD1-NH2 2.96Å; D13-R18 IonicContact OD2-CZ 3.91Å; D13-R18 IonicContact OD2-NE 2.68Å; D13-R18 IonicContact OD2-NH2 3.66Å; D13-R18 PolarHBondContact OD2-NH2 3.47Å; D13-K134 IonicContact OD2-NZ 2.93Å; D13-K134 PolarHBondContact OD2-NZ 2.73Å; D13-F166 HydrophobicContact CB-CE1 4.13Å; D13-F166 HydrophobicContact CB-CZ 4.24Å
14	S	92.4	Very high	88.7	Confident	22 Å²	22	68.6 Å²	68.6	15%	0.154	34%	0.341	C	S	.	.			trans	-69.6	152.1	-175.6	67.7	0	0	0	0	111.6	E9 K12 R16 F17 R18	E9-S14 PolarHBondContact OE2-OG 3.46Å; K12-S14 VanDerWaalsContact C-N 3.27Å; K12-S14 PolarHBondContact O-N 3.48Å; S14-R16 PolarHBondContact O-N 3.28Å; S14-R16 VanDerWaalsContact O-N 3.12Å; S14-F17 WeakPolarHBondContact O-CA 3.32Å; S14-F17 WeakPolarHBondContact O-CB 3.4Å; S14-F17 PolarHBondContact O-N 2.94Å; S14-F17 WeakPolarHBondContact OG-CB 3.46Å; S14-F17 PolarHBondContact OG-N 3.45Å; S14-F17 VanDerWaalsContact OG-N 3.08Å; S14-R18 PolarHBondContact O-N 3.04Å
15	P	91.4	Very high	89.6	Confident	117 Å²	117	67 Å²	67	76%	0.76	33%	0.329	S	S	*	.	H	α-helix	trans	-55.5	-30.1	171.4	-27.1	35.5	0	0	0	112.7	R18 A19	P15-R18 PolarHBondContact O-N 2.87Å; P15-A19 PolarHBondContact O-N 2.96Å
16	R	88.8	Confident	90	Very high	195 Å²	195	68.8 Å²	68.8	74%	0.736	35%	0.349	S	S	*	.	H	α-helix	trans	-64.8	-46.6	172.5	-175.2	-178.9	-178.2	179.6	1.3	112.1	S14 R18 A19 T20	S14-R16 PolarHBondContact O-N 3.28Å; S14-R16 VanDerWaalsContact O-N 3.12Å; R16-R18 VanDerWaalsContact C-N 3.33Å; R16-R18 PolarHBondContact O-N 3.11Å; R16-A19 PolarHBondContact O-N 3.28Å; R16-T20 PolarHBondContact O-N 3.39Å; R16-T20 VanDerWaalsContact O-N 3.08Å; R16-T20 PolarHBondContact O-OG1 3.34Å
17	F	92.6	Very high	90.2	Very high	5 Å²	5	68.4 Å²	68.4	2%	0.022	35%	0.347	C	S	.	.	H	α-helix	trans	-57.4	-46.4	173.7	166.6	-104.7	0	0	0	111.2	V5 E9 C10 S14 A19 T20 I21 F127 V170 V174	V5-F17 HydrophobicContact CG1-CD2 3.93Å; V5-F17 HydrophobicContact CG1-CE2 3.59Å; E9-F17 HydrophobicContact CB-CB 4.33Å; C10-F17 HydrophobicContact CB-CD2 3.87Å; C10-F17 HydrophobicContact CB-CE1 4.25Å; C10-F17 HydrophobicContact CB-CE2 3.29Å; C10-F17 HydrophobicContact CB-CZ 3.52Å; S14-F17 WeakPolarHBondContact O-CA 3.32Å; S14-F17 WeakPolarHBondContact O-CB 3.4Å; S14-F17 PolarHBondContact O-N 2.94Å; S14-F17 WeakPolarHBondContact OG-CB 3.46Å; S14-F17 PolarHBondContact OG-N 3.45Å; S14-F17 VanDerWaalsContact OG-N 3.08Å; F17-A19 PolarHBondContact O-N 2.98Å; F17-T20 PolarHBondContact O-N 3.49Å; F17-I21 HydrophobicContact CD2-CG1 4.23Å; F17-I21 HydrophobicContact CE1-CG1 4.06Å; F17-I21 HydrophobicContact CE2-CD1 3.79Å; F17-I21 HydrophobicContact CE2-CG1 3.72Å; F17-I21 HydrophobicContact CZ-CD1 3.82Å; F17-I21 HydrophobicContact CZ-CG1 3.62Å; F17-I21 WeakPolarHBondContact O-CG1 3.49Å; F17-I21 PolarHBondContact O-N 3Å; F17-F127 HydrophobicContact CE1-CZ 4.29Å; F17-V170 HydrophobicContact CE1-CG2 3.92Å; F17-V170 HydrophobicContact CZ-CG2 3.54Å; F17-V174 HydrophobicContact CE2-CG2 3.79Å; F17-V174 HydrophobicContact CZ-CG2 4.03Å
18	R	93	Very high	90.4	Very high	74 Å²	74	65.1 Å²	65.1	28%	0.279	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-46	177.9	-68.4	-67.1	179.6	144.8	8.2	112.9	D13 S14 P15 R16 T20 I21 E22 S131	D13-R18 VanDerWaalsContact CG-NH2 3.33Å; D13-R18 IonicContact OD1-CZ 3.06Å; D13-R18 VanDerWaalsContact OD1-CZ 3.25Å; D13-R18 IonicContact OD1-NE 3.7Å; D13-R18 PolarHBondContact OD1-NE 3.12Å; D13-R18 IonicContact OD1-NH2 3.88Å; D13-R18 PolarHBondContact OD1-NH2 2.96Å; D13-R18 IonicContact OD2-CZ 3.91Å; D13-R18 IonicContact OD2-NE 2.68Å; D13-R18 IonicContact OD2-NH2 3.66Å; D13-R18 PolarHBondContact OD2-NH2 3.47Å; S14-R18 PolarHBondContact O-N 3.04Å; P15-R18 PolarHBondContact O-N 2.87Å; R16-R18 VanDerWaalsContact C-N 3.33Å; R16-R18 PolarHBondContact O-N 3.11Å; R18-T20 VanDerWaalsContact C-N 3.34Å; R18-T20 PolarHBondContact O-N 3.13Å; R18-I21 PolarHBondContact O-N 3.4Å; R18-E22 PolarHBondContact O-N 3.28Å; R18-S131 PolarHBondContact NH1-OG 3.3Å; R18-S131 PolarHBondContact NH2-OG 3.34Å
19	A	91.8	Very high	90.6	Very high	54 Å²	54	61.8 Å²	61.8	45%	0.446	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-39.3	176.3	0	0	0	0	0	112.7	P15 R16 F17 E22 E23	P15-A19 PolarHBondContact O-N 2.96Å; R16-A19 PolarHBondContact O-N 3.28Å; F17-A19 PolarHBondContact O-N 2.98Å; A19-E22 PolarHBondContact O-N 3.41Å; A19-E23 PolarHBondContact O-N 3.35Å
20	T	90.9	Very high	91	Very high	40 Å²	40	64.4 Å²	64.4	25%	0.245	34%	0.336	C	S	.	.	H	α-helix	trans	-69.5	-32.7	176.1	-55.8	0	0	0	0	112.7	V5 R16 F17 R18 V24	V5-T20 HydrophobicContact CG2-CG2 4.18Å; R16-T20 PolarHBondContact O-N 3.39Å; R16-T20 VanDerWaalsContact O-N 3.08Å; R16-T20 PolarHBondContact O-OG1 3.34Å; F17-T20 PolarHBondContact O-N 3.49Å; R18-T20 VanDerWaalsContact C-N 3.34Å; R18-T20 PolarHBondContact O-N 3.13Å; T20-V24 VanDerWaalsContact O-CG2 3.3Å; T20-V24 WeakPolarHBondContact O-CG2 3.35Å; T20-V24 PolarHBondContact O-N 3.12Å
21	I	92.5	Very high	91.1	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-63.8	-49.8	170.9	-68.6	-67.5	0	0	0	110.1	V5 F17 R18 E23 V24 E25 F127 Y173 I177	V5-I21 HydrophobicContact CG1-CD1 3.98Å; V5-I21 HydrophobicContact CG2-CD1 4.35Å; F17-I21 HydrophobicContact CD2-CG1 4.23Å; F17-I21 HydrophobicContact CE1-CG1 4.06Å; F17-I21 HydrophobicContact CE2-CD1 3.79Å; F17-I21 HydrophobicContact CE2-CG1 3.72Å; F17-I21 HydrophobicContact CZ-CD1 3.82Å; F17-I21 HydrophobicContact CZ-CG1 3.62Å; F17-I21 WeakPolarHBondContact O-CG1 3.49Å; F17-I21 PolarHBondContact O-N 3Å; R18-I21 PolarHBondContact O-N 3.4Å; I21-E23 PolarHBondContact O-N 2.77Å; I21-V24 PolarHBondContact O-N 3.13Å; I21-V24 VanDerWaalsContact O-N 3.15Å; I21-E25 HydrophobicContact CG2-CG 4.16Å; I21-E25 VanDerWaalsContact O-CG 3.31Å; I21-E25 WeakPolarHBondContact O-CG 3.27Å; I21-E25 PolarHBondContact O-N 2.82Å; I21-F127 HydrophobicContact CG2-CE1 4.48Å; I21-Y173 HydrophobicContact CD1-CD1 4.48Å; I21-Y173 HydrophobicContact CD1-CE1 4.12Å; I21-Y173 HydrophobicContact CG2-CE1 3.92Å; I21-I177 HydrophobicContact CD1-CD1 3.44Å; I21-I177 VanDerWaalsContact CD1-CD1 3.44Å
22	E	92.3	Very high	91.2	Very high	141 Å²	141	63.7 Å²	63.7	66%	0.659	33%	0.331	S	S	*	.	H	α-helix	trans	-58.8	-43	-179.7	-173.7	175.5	-166.7	0	0	112.5	R18 A19 E25 G26	R18-E22 PolarHBondContact O-N 3.28Å; A19-E22 PolarHBondContact O-N 3.41Å; E22-E25 PolarHBondContact O-N 3.4Å; E22-G26 PolarHBondContact O-N 3.02Å
23	E	91.6	Very high	91.4	Very high	138 Å²	138	61.3 Å²	61.3	65%	0.645	33%	0.331	S	S	*	.	H	α-helix	trans	-57.3	-49.9	173.2	-176.3	-178.4	-174.1	0	0	111.5	A19 I21 E25 G26 D27	A19-E23 PolarHBondContact O-N 3.35Å; I21-E23 PolarHBondContact O-N 2.77Å; E23-E25 PolarHBondContact O-N 2.79Å; E23-G26 PolarHBondContact O-N 3.42Å; E23-D27 PolarHBondContact O-N 3.3Å
24	V	91	Very high	91.6	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-66.7	-36.1	-179.6	170.3	0	0	0	0	112.3	T4 V5 T20 I21 D27 V28 I177	T4-V24 HydrophobicContact CG2-CG2 3.98Å; V5-V24 HydrophobicContact CG2-CG2 4.26Å; T20-V24 VanDerWaalsContact O-CG2 3.3Å; T20-V24 WeakPolarHBondContact O-CG2 3.35Å; T20-V24 PolarHBondContact O-N 3.12Å; I21-V24 PolarHBondContact O-N 3.13Å; I21-V24 VanDerWaalsContact O-N 3.15Å; V24-D27 WeakPolarHBondContact O-CB 3.38Å; V24-D27 PolarHBondContact O-N 2.96Å; V24-V28 HydrophobicContact CG1-CG2 4.4Å; V24-V28 WeakPolarHBondContact O-CB 3.5Å; V24-V28 WeakPolarHBondContact O-CG2 3.43Å; V24-V28 PolarHBondContact O-N 2.78Å; V24-I177 HydrophobicContact CG1-CG1 4.41Å; V24-I177 HydrophobicContact CG1-CG2 3.79Å
25	E	91	Very high	91.5	Very high	27 Å²	27	64 Å²	64	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-63.9	-42.6	174.9	-73.4	180	161.6	0	0	112.2	I21 E22 E23 V28 C29 F120 K124 Y173	I21-E25 HydrophobicContact CG2-CG 4.16Å; I21-E25 VanDerWaalsContact O-CG 3.31Å; I21-E25 WeakPolarHBondContact O-CG 3.27Å; I21-E25 PolarHBondContact O-N 2.82Å; E22-E25 PolarHBondContact O-N 3.4Å; E23-E25 PolarHBondContact O-N 2.79Å; E25-V28 PolarHBondContact O-N 2.89Å; E25-C29 PolarHBondContact O-N 3.4Å; E25-C29 PolarHBondContact O-SG 3.07Å; E25-F120 HydrophobicContact CG-CZ 4.09Å; E25-K124 HydrophobicContact CG-CD 4.36Å; E25-K124 WeakPolarHBondContact OE1-CD 3.21Å; E25-K124 WeakPolarHBondContact OE1-CE 3.48Å; E25-K124 IonicContact OE1-NZ 2.76Å; E25-K124 PolarHBondContact OE1-NZ 3.37Å; E25-K124 IonicContact OE2-NZ 3.22Å; E25-K124 PolarHBondContact OE2-NZ 3.47Å; E25-Y173 WeakPolarHBondContact CG-OH 3.47Å; E25-Y173 PolarHBondContact OE1-OH 3.37Å
26	G	91.9	Very high	91.6	Very high	41 Å²	41	61.3 Å²	61.3	42%	0.423	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-48.8	173.5	0	0	0	0	0	111.9	E22 E23 V28 C29 E30	E22-G26 PolarHBondContact O-N 3.02Å; E23-G26 PolarHBondContact O-N 3.42Å; G26-V28 VanDerWaalsContact C-N 3.26Å; G26-V28 PolarHBondContact O-N 2.87Å; G26-C29 PolarHBondContact O-N 3.25Å; G26-E30 PolarHBondContact O-N 2.99Å
27	D	90.6	Very high	91.9	Very high	67 Å²	67	58.7 Å²	58.7	36%	0.358	31%	0.311	S	S	.	.	H	α-helix	trans	-53.1	-42.3	175.6	-130.8	45.1	0	0	0	111.9	E23 V24 L31 R184	E23-D27 PolarHBondContact O-N 3.3Å; V24-D27 WeakPolarHBondContact O-CB 3.38Å; V24-D27 PolarHBondContact O-N 2.96Å; D27-L31 VanDerWaalsContact O-CB 3.28Å; D27-L31 WeakPolarHBondContact O-CB 3.44Å; D27-L31 PolarHBondContact O-N 2.86Å; D27-R184 IonicContact OD2-CZ 3.62Å; D27-R184 IonicContact OD2-NH1 2.76Å; D27-R184 PolarHBondContact OD2-NH1 3.31Å; D27-R184 IonicContact OD2-NH2 2.92Å
28	V	90.3	Very high	91.9	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.03	33%	0.326	C	S	.	.	H	α-helix	trans	-74.7	-38.7	-178.8	172.6	0	0	0	0	112.2	V24 E25 G26 L31 E32 L117 F120 L180	V24-V28 HydrophobicContact CG1-CG2 4.4Å; V24-V28 WeakPolarHBondContact O-CB 3.5Å; V24-V28 WeakPolarHBondContact O-CG2 3.43Å; V24-V28 PolarHBondContact O-N 2.78Å; E25-V28 PolarHBondContact O-N 2.89Å; G26-V28 VanDerWaalsContact C-N 3.26Å; G26-V28 PolarHBondContact O-N 2.87Å; V28-L31 PolarHBondContact O-N 2.66Å; V28-E32 PolarHBondContact O-N 2.88Å; V28-L117 HydrophobicContact CG1-CD2 3.41Å; V28-L117 VanDerWaalsContact CG1-CD2 3.41Å; V28-F120 HydrophobicContact CB-CE1 4.05Å; V28-F120 HydrophobicContact CB-CZ 4.28Å; V28-F120 HydrophobicContact CG1-CD1 3.71Å; V28-F120 HydrophobicContact CG1-CE1 3.5Å; V28-F120 VanDerWaalsContact CG1-CE1 3.5Å; V28-F120 HydrophobicContact CG1-CZ 4.15Å; V28-F120 HydrophobicContact CG2-CZ 4.41Å; V28-L180 HydrophobicContact CG1-CD2 3.78Å; V28-L180 HydrophobicContact CG2-CD2 3.87Å
29	C	90.1	Very high	92	Very high	65 Å²	65	58 Å²	58	44%	0.439	31%	0.313	S	S	.	.	H	α-helix	trans	-68	-38.1	175.7	-66.6	0	0	0	0	112.2	E25 G26 S33	E25-C29 PolarHBondContact O-N 3.4Å; E25-C29 PolarHBondContact O-SG 3.07Å; G26-C29 PolarHBondContact O-N 3.25Å; C29-S33 PolarHBondContact O-N 3.07Å; C29-S33 PolarHBondContact O-OG 3.21Å
30	E	92.8	Very high	92.2	Very high	102 Å²	102	62.4 Å²	62.4	48%	0.477	32%	0.322	S	S	.	.	H	α-helix	trans	-67.7	-40.1	174.8	-154.8	-148.5	-170.6	0	0	111.3	G26 S33 K34	G26-E30 PolarHBondContact O-N 2.99Å; E30-S33 PolarHBondContact O-N 3.4Å; E30-K34 HydrophobicContact CG-CD 4.42Å; E30-K34 WeakPolarHBondContact O-CB 3.44Å; E30-K34 WeakPolarHBondContact O-CG 3.36Å; E30-K34 PolarHBondContact O-N 2.98Å; E30-K34 WeakPolarHBondContact OE1-CE 3.28Å; E30-K34 IonicContact OE1-NZ 2.6Å; E30-K34 PolarHBondContact OE1-NZ 3.02Å; E30-K34 WeakPolarHBondContact OE2-CE 3.41Å; E30-K34 IonicContact OE2-NZ 3.77Å; E30-K34 PolarHBondContact OE2-NZ 3.04Å
31	L	90.2	Very high	92.4	Very high	28 Å²	28	65.9 Å²	65.9	15%	0.147	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-47.4	175.6	179.3	62.1	0	0	0	112.3	D27 V28 S33 K34 L35 R184 I188	D27-L31 VanDerWaalsContact O-CB 3.28Å; D27-L31 WeakPolarHBondContact O-CB 3.44Å; D27-L31 PolarHBondContact O-N 2.86Å; V28-L31 PolarHBondContact O-N 2.66Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-S33 PolarHBondContact O-N 3.1Å; L31-K34 PolarHBondContact O-N 2.89Å; L31-L35 HydrophobicContact CD1-CD1 4.06Å; L31-L35 HydrophobicContact CD1-CG 4.07Å; L31-L35 HydrophobicContact CG-CD1 3.98Å; L31-L35 HydrophobicContact CG-CG 4.39Å; L31-L35 WeakPolarHBondContact O-CB 3.34Å; L31-L35 VanDerWaalsContact O-CG 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.33Å; L31-L35 PolarHBondContact O-N 3.43Å; L31-R184 HydrophobicContact CD2-CB 4.02Å; L31-I188 HydrophobicContact CD1-CD1 4.03Å
32	E	90.6	Very high	92.6	Very high	36 Å²	36	66 Å²	66	17%	0.168	34%	0.34	C	S	.	.	H	α-helix	trans	-55.6	-49.7	175.6	-179.2	177.9	-140.5	0	0	110.9	V28 K34 L35 D36 V113 L117 K121	V28-E32 PolarHBondContact O-N 2.88Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.01Å; E32-L35 PolarHBondContact O-N 3.29Å; E32-D36 PolarHBondContact O-N 3.12Å; E32-V113 HydrophobicContact CG-CG1 4.25Å; E32-L117 HydrophobicContact CB-CD1 4.09Å; E32-L117 HydrophobicContact CB-CD2 4.24Å; E32-L117 HydrophobicContact CG-CD1 4.31Å; E32-K121 IonicContact OE1-NZ 2.75Å; E32-K121 PolarHBondContact OE1-NZ 2.95Å; E32-K121 VanDerWaalsContact OE2-CE 3.32Å; E32-K121 WeakPolarHBondContact OE2-CE 3.21Å; E32-K121 IonicContact OE2-NZ 3.71Å; E32-K121 PolarHBondContact OE2-NZ 3.2Å
33	S	93.2	Very high	92.7	Very high	78 Å²	78	61.4 Å²	61.4	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-59.3	-39.9	179.3	-59	0	0	0	0	112.7	C29 E30 L31 K37	C29-S33 PolarHBondContact O-N 3.07Å; C29-S33 PolarHBondContact O-OG 3.21Å; E30-S33 PolarHBondContact O-N 3.4Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-S33 PolarHBondContact O-N 3.1Å; S33-K37 WeakPolarHBondContact O-CB 3.44Å; S33-K37 PolarHBondContact O-N 3.16Å; S33-K37 VanDerWaalsContact O-N 3.15Å
34	K	93.6	Very high	93	Very high	113 Å²	113	56.9 Å²	56.9	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-69.2	-41.3	176.4	-75.4	171.2	177.2	172	0	112.3	E30 L31 E32 K37 L38	E30-K34 HydrophobicContact CG-CD 4.42Å; E30-K34 WeakPolarHBondContact O-CB 3.44Å; E30-K34 WeakPolarHBondContact O-CG 3.36Å; E30-K34 PolarHBondContact O-N 2.98Å; E30-K34 WeakPolarHBondContact OE1-CE 3.28Å; E30-K34 IonicContact OE1-NZ 2.6Å; E30-K34 PolarHBondContact OE1-NZ 3.02Å; E30-K34 WeakPolarHBondContact OE2-CE 3.41Å; E30-K34 IonicContact OE2-NZ 3.77Å; E30-K34 PolarHBondContact OE2-NZ 3.04Å; L31-K34 PolarHBondContact O-N 2.89Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.01Å; K34-K37 PolarHBondContact O-N 2.82Å; K34-L38 PolarHBondContact O-N 3.45Å
35	L	92	Very high	93.3	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-67.7	-44.6	178.4	-70.1	175.6	0	0	0	112	L31 E32 K37 L38 V39 L109 F112 V113 I188	L31-L35 HydrophobicContact CD1-CD1 4.06Å; L31-L35 HydrophobicContact CD1-CG 4.07Å; L31-L35 HydrophobicContact CG-CD1 3.98Å; L31-L35 HydrophobicContact CG-CG 4.39Å; L31-L35 WeakPolarHBondContact O-CB 3.34Å; L31-L35 VanDerWaalsContact O-CG 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.33Å; L31-L35 PolarHBondContact O-N 3.43Å; E32-L35 PolarHBondContact O-N 3.29Å; L35-K37 VanDerWaalsContact C-N 3.3Å; L35-K37 PolarHBondContact O-N 3.2Å; L35-L38 PolarHBondContact O-N 3.27Å; L35-V39 WeakPolarHBondContact O-CG2 3.32Å; L35-V39 PolarHBondContact O-N 2.97Å; L35-L109 HydrophobicContact CD2-CD1 4.31Å; L35-L109 HydrophobicContact CD2-CD2 4.32Å; L35-F112 HydrophobicContact CD1-CD1 3.88Å; L35-F112 HydrophobicContact CD1-CE1 3.93Å; L35-V113 HydrophobicContact CB-CG2 3.99Å; L35-V113 HydrophobicContact CD1-CG2 4.09Å; L35-I188 HydrophobicContact CD2-CD1 4.09Å; L35-I188 HydrophobicContact CD2-CG1 4.08Å
36	D	92.1	Very high	93.5	Very high	60 Å²	60	59.2 Å²	59.2	32%	0.321	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-38.8	175.4	-94.8	-3	0	0	0	112	E32 V39 K40	E32-D36 PolarHBondContact O-N 3.12Å; D36-V39 PolarHBondContact O-N 2.9Å; D36-K40 VanDerWaalsContact O-CG 3.29Å; D36-K40 WeakPolarHBondContact O-CG 3.49Å; D36-K40 PolarHBondContact O-N 3.13Å
37	K	95.1	Very high	93.8	Very high	140 Å²	140	61 Å²	61	61%	0.609	32%	0.321	S	S	*	.	H	α-helix	trans	-62.7	-45.3	173.2	-175.1	176.9	179.7	178.9	0	111.5	S33 K34 L35 K40 L41	S33-K37 WeakPolarHBondContact O-CB 3.44Å; S33-K37 PolarHBondContact O-N 3.16Å; S33-K37 VanDerWaalsContact O-N 3.15Å; K34-K37 PolarHBondContact O-N 2.82Å; L35-K37 VanDerWaalsContact C-N 3.3Å; L35-K37 PolarHBondContact O-N 3.2Å; K37-K40 PolarHBondContact O-N 3.39Å; K37-L41 HydrophobicContact CG-CD1 4.18Å; K37-L41 WeakPolarHBondContact O-CG 3.42Å; K37-L41 PolarHBondContact O-N 2.85Å
38	L	94.1	Very high	94.1	Very high	63 Å²	63	61 Å²	61	33%	0.33	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-42.8	178.1	179.7	60.5	0	0	0	112	K34 L35 L41 C42 L109	K34-L38 PolarHBondContact O-N 3.45Å; L35-L38 PolarHBondContact O-N 3.27Å; L38-L41 PolarHBondContact O-N 2.92Å; L38-C42 WeakPolarHBondContact O-CB 3.4Å; L38-C42 PolarHBondContact O-N 3.38Å; L38-L109 HydrophobicContact CD2-CD1 3.91Å; L38-L109 HydrophobicContact CG-CD1 4.48Å
39	V	94.1	Very high	94.4	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.012	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-44.5	175.5	167.4	0	0	0	0	111.4	L35 D36 L41 C42 I43 K106 L109 Q110	L35-V39 WeakPolarHBondContact O-CG2 3.32Å; L35-V39 PolarHBondContact O-N 2.97Å; D36-V39 PolarHBondContact O-N 2.9Å; V39-L41 PolarHBondContact O-N 3.31Å; V39-C42 PolarHBondContact O-N 3.46Å; V39-I43 HydrophobicContact CG1-CD1 3.99Å; V39-I43 WeakPolarHBondContact O-CG1 3.29Å; V39-I43 PolarHBondContact O-N 3.45Å; V39-K106 HydrophobicContact CG1-CG 4.35Å; V39-L109 HydrophobicContact CG2-CB 3.81Å; V39-L109 HydrophobicContact CG2-CD1 4.34Å; V39-Q110 HydrophobicContact CG1-CG 3.7Å; V39-Q110 VanDerWaalsContact CG1-NE2 3.35Å; V39-Q110 HydrophobicContact CG2-CG 4.23Å
40	K	95.3	Very high	94.7	Very high	146 Å²	146	62.2 Å²	62.2	64%	0.635	33%	0.33	S	S	*	.	H	α-helix	trans	-61.2	-43.1	176.2	-74.1	169.2	-177.2	173.2	0	112.1	D36 K37 I43 G44	D36-K40 VanDerWaalsContact O-CG 3.29Å; D36-K40 WeakPolarHBondContact O-CG 3.49Å; D36-K40 PolarHBondContact O-N 3.13Å; K37-K40 PolarHBondContact O-N 3.39Å; K40-I43 PolarHBondContact O-N 3.19Å; K40-G44 PolarHBondContact O-N 3.25Å
41	L	96.4	Very high	94.9	Very high	112 Å²	112	60.4 Å²	60.4	59%	0.586	33%	0.333	S	S	*	.	H	α-helix	trans	-64	-40.9	176	-70	169.9	0	0	0	112.1	K37 L38 V39 G44 M45	K37-L41 HydrophobicContact CG-CD1 4.18Å; K37-L41 WeakPolarHBondContact O-CG 3.42Å; K37-L41 PolarHBondContact O-N 2.85Å; L38-L41 PolarHBondContact O-N 2.92Å; V39-L41 PolarHBondContact O-N 3.31Å; L41-G44 PolarHBondContact O-N 3.18Å; L41-M45 WeakPolarHBondContact O-CB 3.41Å; L41-M45 PolarHBondContact O-N 2.94Å
42	C	95.8	Very high	95.3	Very high	9 Å²	9	64.8 Å²	64.8	6%	0.061	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-40.3	175.5	-177.7	0	0	0	0	112.4	L38 V39 M45 I46 I105	L38-C42 WeakPolarHBondContact O-CB 3.4Å; L38-C42 PolarHBondContact O-N 3.38Å; V39-C42 PolarHBondContact O-N 3.46Å; C42-M45 PolarHBondContact O-N 3.49Å; C42-I46 WeakPolarHBondContact O-CB 3.47Å; C42-I46 WeakPolarHBondContact O-CD1 3.25Å; C42-I46 VanDerWaalsContact O-CG1 3.28Å; C42-I46 WeakPolarHBondContact O-CG1 3.18Å; C42-I46 PolarHBondContact O-N 3.48Å; C42-I105 HydrophobicContact CB-CB 4.27Å; C42-I105 HydrophobicContact CB-CG2 3.66Å; C42-I105 VanDerWaalsContact SG-CB 3.59Å
43	I	95.8	Very high	95.5	Very high	44 Å²	44	63.4 Å²	63.4	23%	0.226	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-49.7	173.8	-68.9	164.4	0	0	0	110.4	V39 K40 M45 I46 D47 K106	V39-I43 HydrophobicContact CG1-CD1 3.99Å; V39-I43 WeakPolarHBondContact O-CG1 3.29Å; V39-I43 PolarHBondContact O-N 3.45Å; K40-I43 PolarHBondContact O-N 3.19Å; I43-M45 VanDerWaalsContact C-N 3.32Å; I43-M45 PolarHBondContact O-N 3.06Å; I43-I46 PolarHBondContact O-N 2.87Å; I43-I46 VanDerWaalsContact O-N 3.11Å; I43-D47 VanDerWaalsContact CG2-OD2 3.31Å; I43-D47 WeakPolarHBondContact CG2-OD2 3.48Å; I43-D47 PolarHBondContact O-N 3.3Å; I43-K106 HydrophobicContact CD1-CD 4.12Å; I43-K106 HydrophobicContact CD1-CG 4.27Å; I43-K106 HydrophobicContact CG1-CD 3.91Å; I43-K106 HydrophobicContact CG1-CG 4.26Å
44	G	97.3	Very high	95.7	Very high	43 Å²	43	62.2 Å²	62.2	44%	0.443	34%	0.337	S	S	.	.	H	α-helix	trans	-59	-40	177.5	0	0	0	0	0	113.6	K40 L41 D47 A48	K40-G44 PolarHBondContact O-N 3.25Å; L41-G44 PolarHBondContact O-N 3.18Å; G44-D47 PolarHBondContact O-N 3.49Å; G44-A48 WeakPolarHBondContact O-CB 3.33Å; G44-A48 PolarHBondContact O-N 3.09Å
45	M	96.6	Very high	95.9	Very high	81 Å²	81	59.3 Å²	59.3	40%	0.399	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-44.3	173.4	179.4	-168.5	77.5	0	0	112.2	L41 C42 I43 G49 A101 F195	L41-M45 WeakPolarHBondContact O-CB 3.41Å; L41-M45 PolarHBondContact O-N 2.94Å; C42-M45 PolarHBondContact O-N 3.49Å; I43-M45 VanDerWaalsContact C-N 3.32Å; I43-M45 PolarHBondContact O-N 3.06Å; M45-G49 PolarHBondContact O-N 3.23Å; M45-A101 HydrophobicContact CE-CB 4.39Å; M45-F195 HydrophobicContact CE-CE2 3.85Å; M45-F195 HydrophobicContact CE-CZ 3.84Å; M45-F195 HydrophobicContact SD-CZ 4.32Å
46	I	96.4	Very high	96.2	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-64.8	-43.2	178.1	-74.2	162.7	0	0	0	111.1	C42 I43 G49 K50 F98 A101 Q102	C42-I46 WeakPolarHBondContact O-CB 3.47Å; C42-I46 WeakPolarHBondContact O-CD1 3.25Å; C42-I46 VanDerWaalsContact O-CG1 3.28Å; C42-I46 WeakPolarHBondContact O-CG1 3.18Å; C42-I46 PolarHBondContact O-N 3.48Å; I43-I46 PolarHBondContact O-N 2.87Å; I43-I46 VanDerWaalsContact O-N 3.11Å; I46-G49 PolarHBondContact O-N 2.88Å; I46-K50 HydrophobicContact CG2-CD 4.14Å; I46-K50 VanDerWaalsContact CG2-CE 3.44Å; I46-K50 WeakPolarHBondContact O-CG 3.38Å; I46-K50 PolarHBondContact O-N 3.1Å; I46-F98 HydrophobicContact CG2-CB 4.35Å; I46-A101 HydrophobicContact CD1-CB 4.15Å; I46-A101 HydrophobicContact CG1-CB 4.34Å; I46-Q102 HydrophobicContact CD1-CB 3.94Å; I46-Q102 HydrophobicContact CD1-CG 4.44Å
47	D	96.8	Very high	96.4	Very high	80 Å²	80	62.3 Å²	62.3	43%	0.428	35%	0.345	S	S	.	.	H	α-helix	trans	-73.5	-37.6	-176	-65.1	-26	0	0	0	111.6	I43 G44 G49 K50 A51	I43-D47 VanDerWaalsContact CG2-OD2 3.31Å; I43-D47 WeakPolarHBondContact CG2-OD2 3.48Å; I43-D47 PolarHBondContact O-N 3.3Å; G44-D47 PolarHBondContact O-N 3.49Å; D47-G49 VanDerWaalsContact C-N 3.35Å; D47-K50 PolarHBondContact O-N 3.34Å; D47-K50 IonicContact OD1-NZ 3.02Å; D47-K50 PolarHBondContact OD1-NZ 2.96Å; D47-A51 PolarHBondContact O-N 3.24Å
48	A	97.8	Very high	96.6	Very high	65 Å²	65	62.7 Å²	62.7	54%	0.537	35%	0.349	S	S	.	.	H	α-helix	trans	-61.6	-41.6	167.8	0	0	0	0	0	112	G44 K50 A51 Y52	G44-A48 WeakPolarHBondContact O-CB 3.33Å; G44-A48 PolarHBondContact O-N 3.09Å; A48-K50 PolarHBondContact O-N 2.91Å; A48-A51 PolarHBondContact O-N 3.37Å; A48-Y52 PolarHBondContact O-N 3.41Å
49	G	96.6	Very high	96.7	Very high	9 Å²	9	66 Å²	66	9%	0.093	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-38.1	175	0	0	0	0	0	113.7	M45 I46 D47 Y52 N53 F98	M45-G49 PolarHBondContact O-N 3.23Å; I46-G49 PolarHBondContact O-N 2.88Å; D47-G49 VanDerWaalsContact C-N 3.35Å; G49-Y52 PolarHBondContact O-N 3.32Å; G49-N53 PolarHBondContact O-N 2.76Å; G49-F98 WeakPolarHBondContact O-CE2 3.33Å
50	K	96.3	Very high	96.9	Very high	88 Å²	88	66 Å²	66	38%	0.383	36%	0.361	S	S	.	.	H	α-helix	trans	-66.4	-40.7	173.3	-74	168.3	-174.7	162.7	0	112.1	I46 D47 A48 N53 A54	I46-K50 HydrophobicContact CG2-CD 4.14Å; I46-K50 VanDerWaalsContact CG2-CE 3.44Å; I46-K50 WeakPolarHBondContact O-CG 3.38Å; I46-K50 PolarHBondContact O-N 3.1Å; D47-K50 PolarHBondContact O-N 3.34Å; D47-K50 IonicContact OD1-NZ 3.02Å; D47-K50 PolarHBondContact OD1-NZ 2.96Å; A48-K50 PolarHBondContact O-N 2.91Å; K50-N53 PolarHBondContact O-N 3.45Å; K50-A54 PolarHBondContact O-N 3.02Å
51	A	97.3	Very high	97	Very high	64 Å²	64	62.3 Å²	62.3	53%	0.529	35%	0.349	S	S	.	.	H	α-helix	trans	-62.8	-43.7	175	0	0	0	0	0	111.6	D47 A48 A54 A55	D47-A51 PolarHBondContact O-N 3.24Å; A48-A51 PolarHBondContact O-N 3.37Å; A51-A54 WeakPolarHBondContact O-CB 3.05Å; A51-A54 PolarHBondContact O-N 3.15Å; A51-A55 PolarHBondContact O-N 3.35Å
52	Y	97.5	Very high	97.1	Very high	119 Å²	119	58.6 Å²	58.6	47%	0.467	34%	0.337	S	S	.	.	H	α-helix	trans	-58.3	-47.1	172.2	170.1	-106.1	0	0	0	112.4	A48 G49 A54 A55 N56 H94	A48-Y52 PolarHBondContact O-N 3.41Å; G49-Y52 PolarHBondContact O-N 3.32Å; Y52-A54 VanDerWaalsContact C-N 3.3Å; Y52-A54 PolarHBondContact O-N 3.15Å; Y52-A55 PolarHBondContact O-N 3.42Å; Y52-N56 VanDerWaalsContact CE1-ND2 3.32Å; Y52-N56 WeakPolarHBondContact CE1-ND2 3.11Å; Y52-N56 WeakPolarHBondContact CE2-ND2 3.3Å; Y52-N56 WeakPolarHBondContact O-CB 3.44Å; Y52-N56 PolarHBondContact O-N 3.38Å; Y52-N56 PolarHBondContact OH-ND2 3.12Å; Y52-H94 AromaticContact CE1-NE2 3.85Å
53	N	96.7	Very high	97.1	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.043	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-35.2	175.2	-86.5	9.5	0	0	0	113	G49 K50 K57 I91 H94 T95	G49-N53 PolarHBondContact O-N 2.76Å; K50-N53 PolarHBondContact O-N 3.45Å; N53-K57 WeakPolarHBondContact O-CG 3.42Å; N53-K57 PolarHBondContact O-N 3.03Å; N53-I91 HydrophobicContact CB-CG2 4.19Å; N53-I91 PolarHBondContact ND2-O 3.46Å; N53-H94 VanDerWaalsContact ND2-CB 3.33Å; N53-H94 WeakPolarHBondContact ND2-CB 3.44Å; N53-H94 WeakPolarHBondContact OD1-CB 3.23Å; N53-T95 PolarHBondContact ND2-OG1 3.5Å; N53-T95 VanDerWaalsContact ND2-OG1 3.13Å
54	A	97.1	Very high	97.1	Very high	53 Å²	53	62.2 Å²	62.2	44%	0.438	35%	0.349	S	S	.	.	H	α-helix	trans	-67.2	-45.2	176.9	0	0	0	0	0	111.8	K50 A51 Y52 K57 Q58	K50-A54 PolarHBondContact O-N 3.02Å; A51-A54 WeakPolarHBondContact O-CB 3.05Å; A51-A54 PolarHBondContact O-N 3.15Å; Y52-A54 VanDerWaalsContact C-N 3.3Å; Y52-A54 PolarHBondContact O-N 3.15Å; A54-K57 PolarHBondContact O-N 3.43Å; A54-Q58 PolarHBondContact O-N 2.62Å
55	A	97.8	Very high	97	Very high	51 Å²	51	65.5 Å²	65.5	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-43.6	174	0	0	0	0	0	111.7	A51 Y52 K57 Q58 F59	A51-A55 PolarHBondContact O-N 3.35Å; Y52-A55 PolarHBondContact O-N 3.42Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 2.84Å; A55-Q58 WeakPolarHBondContact O-CB 3.37Å; A55-Q58 PolarHBondContact O-N 3.18Å; A55-Q58 VanDerWaalsContact O-N 3.17Å; A55-F59 PolarHBondContact O-N 3.39Å
56	N	97.3	Very high	97	Very high	40 Å²	40	65.9 Å²	65.9	21%	0.214	36%	0.355	C	S	.	.	H	α-helix	trans	-62.1	-36.6	175.6	-80.5	-5.9	0	0	0	112.9	Y52 F59 V60 I91	Y52-N56 VanDerWaalsContact CE1-ND2 3.32Å; Y52-N56 WeakPolarHBondContact CE1-ND2 3.11Å; Y52-N56 WeakPolarHBondContact CE2-ND2 3.3Å; Y52-N56 WeakPolarHBondContact O-CB 3.44Å; Y52-N56 PolarHBondContact O-N 3.38Å; Y52-N56 PolarHBondContact OH-ND2 3.12Å; N56-F59 PolarHBondContact O-N 2.66Å; N56-V60 WeakPolarHBondContact O-CB 3.4Å; N56-V60 VanDerWaalsContact O-CG2 3.32Å; N56-V60 WeakPolarHBondContact O-CG2 3.08Å; N56-V60 PolarHBondContact O-N 2.73Å; N56-I91 HydrophobicContact CB-CD1 3.76Å; N56-I91 HydrophobicContact CB-CG1 3.97Å
57	K	97.6	Very high	96.8	Very high	90 Å²	90	65.9 Å²	65.9	39%	0.391	36%	0.356	S	S	.	.	H	α-helix	trans	-63.2	-41	173.4	-76.9	-174.1	177.2	-173.8	0	112.2	N53 A54 A55 V60 N61 I91	N53-K57 WeakPolarHBondContact O-CG 3.42Å; N53-K57 PolarHBondContact O-N 3.03Å; A54-K57 PolarHBondContact O-N 3.43Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 2.84Å; K57-V60 PolarHBondContact O-N 2.91Å; K57-N61 WeakPolarHBondContact O-CB 3.32Å; K57-N61 VanDerWaalsContact O-CG 3.23Å; K57-N61 PolarHBondContact O-N 3.07Å; K57-I91 HydrophobicContact CD-CG2 4.37Å; K57-I91 HydrophobicContact CG-CD1 3.95Å; K57-I91 HydrophobicContact CG-CG2 3.95Å
58	Q	97.5	Very high	96.6	Very high	148 Å²	148	68.3 Å²	68.3	69%	0.692	36%	0.364	S	S	*	.	H	α-helix	trans	-63.4	-42.7	175.7	-69.2	175.8	-30.1	0	0	111.4	A54 A55 N61 G62	A54-Q58 PolarHBondContact O-N 2.62Å; A55-Q58 WeakPolarHBondContact O-CB 3.37Å; A55-Q58 PolarHBondContact O-N 3.18Å; A55-Q58 VanDerWaalsContact O-N 3.17Å; Q58-N61 PolarHBondContact O-N 2.9Å; Q58-G62 PolarHBondContact O-N 3.18Å
59	F	98	Very high	96.3	Very high	132 Å²	132	72.8 Å²	72.8	58%	0.579	37%	0.374	S	S	*	.	H	α-helix	trans	-61.6	-45.6	175.2	179.3	-113.5	0	0	0	112.7	A55 N56 N61 G62 I63	A55-F59 PolarHBondContact O-N 3.39Å; N56-F59 PolarHBondContact O-N 2.66Å; F59-N61 VanDerWaalsContact C-N 3.33Å; F59-N61 PolarHBondContact O-N 3.15Å; F59-G62 PolarHBondContact O-N 3.49Å; F59-I63 HydrophobicContact CD1-CD1 4.06Å; F59-I63 HydrophobicContact CE1-CD1 3.63Å; F59-I63 HydrophobicContact CZ-CD1 3.91Å; F59-I63 HydrophobicContact CZ-CG1 4.45Å; F59-I63 PolarHBondContact O-N 3.46Å; F59-I63 VanDerWaalsContact O-N 3.07Å
60	V	98.1	Very high	95.9	Very high	2 Å²	2	73.7 Å²	73.7	1%	0.012	38%	0.379	C	S	.	.	H	α-helix	trans	-63.6	-36.8	176.5	169.5	0	0	0	0	112.3	N56 K57 I63 R64 A84 L87 Q88 I91	N56-V60 WeakPolarHBondContact O-CB 3.4Å; N56-V60 VanDerWaalsContact O-CG2 3.32Å; N56-V60 WeakPolarHBondContact O-CG2 3.08Å; N56-V60 PolarHBondContact O-N 2.73Å; K57-V60 PolarHBondContact O-N 2.91Å; V60-I63 PolarHBondContact O-N 2.71Å; V60-R64 PolarHBondContact O-N 3.02Å; V60-R64 VanDerWaalsContact O-N 3.09Å; V60-A84 HydrophobicContact CG1-CB 4.04Å; V60-A84 WeakPolarHBondContact CG1-O 3.33Å; V60-L87 HydrophobicContact CG2-CB 3.49Å; V60-L87 VanDerWaalsContact CG2-CB 3.49Å; V60-L87 HydrophobicContact CG2-CD1 4.18Å; V60-L87 HydrophobicContact CG2-CG 4.48Å; V60-Q88 HydrophobicContact CG1-CB 4.37Å; V60-I91 HydrophobicContact CG2-CD1 4Å
61	N	96.8	Very high	95.2	Very high	70 Å²	70	72.2 Å²	72.2	37%	0.374	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-43.4	172.7	-71.8	-12.1	0	0	0	111.5	K57 Q58 F59 I63 R64 E65	K57-N61 WeakPolarHBondContact O-CB 3.32Å; K57-N61 VanDerWaalsContact O-CG 3.23Å; K57-N61 PolarHBondContact O-N 3.07Å; Q58-N61 PolarHBondContact O-N 2.9Å; F59-N61 VanDerWaalsContact C-N 3.33Å; F59-N61 PolarHBondContact O-N 3.15Å; N61-I63 VanDerWaalsContact C-N 3.31Å; N61-I63 PolarHBondContact O-N 2.88Å; N61-R64 WeakPolarHBondContact O-CA 3.3Å; N61-R64 WeakPolarHBondContact O-CB 3.49Å; N61-R64 PolarHBondContact O-N 3.43Å; N61-E65 WeakPolarHBondContact O-CG 3.22Å; N61-E65 PolarHBondContact O-N 2.91Å
62	G	97.5	Very high	94.6	Very high	34 Å²	34	79.5 Å²	79.5	35%	0.351	40%	0.403	S	S	.	.	H	α-helix	trans	-60.1	-37.1	174.9	0	0	0	0	0	113.5	Q58 F59 R64 E65 L66	Q58-G62 PolarHBondContact O-N 3.18Å; F59-G62 PolarHBondContact O-N 3.49Å; G62-R64 VanDerWaalsContact C-N 3.34Å; G62-E65 PolarHBondContact O-N 2.91Å; G62-L66 WeakPolarHBondContact O-CB 3.41Å; G62-L66 PolarHBondContact O-N 3.37Å
63	I	96.9	Very high	94.2	Very high	26 Å²	26	76.8 Å²	76.8	13%	0.133	40%	0.397	C	S	.	.	H	α-helix	trans	-62.7	-41.9	172	-65.4	169.7	0	0	0	110.9	F59 V60 N61 L66 A67 L80 A84 L87	F59-I63 HydrophobicContact CD1-CD1 4.06Å; F59-I63 HydrophobicContact CE1-CD1 3.63Å; F59-I63 HydrophobicContact CZ-CD1 3.91Å; F59-I63 HydrophobicContact CZ-CG1 4.45Å; F59-I63 PolarHBondContact O-N 3.46Å; F59-I63 VanDerWaalsContact O-N 3.07Å; V60-I63 PolarHBondContact O-N 2.71Å; N61-I63 VanDerWaalsContact C-N 3.31Å; N61-I63 PolarHBondContact O-N 2.88Å; I63-L66 PolarHBondContact O-N 3.35Å; I63-A67 PolarHBondContact O-N 3.37Å; I63-L80 HydrophobicContact CG2-CB 4.05Å; I63-L80 HydrophobicContact CG2-CD2 4.23Å; I63-L80 WeakPolarHBondContact CG2-O 3.23Å; I63-A84 HydrophobicContact CB-CB 4.46Å; I63-A84 HydrophobicContact CG2-CB 4.01Å; I63-L87 HydrophobicContact CD1-CD1 3.87Å
64	R	96.1	Very high	93.8	Very high	103 Å²	103	84.2 Å²	84.2	39%	0.389	43%	0.431	S	S	.	.	H	α-helix	trans	-68	-39.9	178.8	-171.9	-178.8	-67.1	174.8	-1.1	112.3	V60 N61 G62 A67 Q68	V60-R64 PolarHBondContact O-N 3.02Å; V60-R64 VanDerWaalsContact O-N 3.09Å; N61-R64 WeakPolarHBondContact O-CA 3.3Å; N61-R64 WeakPolarHBondContact O-CB 3.49Å; N61-R64 PolarHBondContact O-N 3.43Å; G62-R64 VanDerWaalsContact C-N 3.34Å; R64-A67 WeakPolarHBondContact O-CB 3.48Å; R64-A67 PolarHBondContact O-N 3.07Å; R64-Q68 WeakPolarHBondContact O-CG 3.14Å; R64-Q68 PolarHBondContact O-N 2.83Å
65	E	95.5	Very high	93.4	Very high	111 Å²	111	83.9 Å²	83.9	52%	0.519	42%	0.423	S	S	.	.	H	α-helix	trans	-63.1	-41.7	173.9	-72.3	169.9	-158.7	0	0	111.4	N61 G62 Q68 Q69	N61-E65 WeakPolarHBondContact O-CG 3.22Å; N61-E65 PolarHBondContact O-N 2.91Å; G62-E65 PolarHBondContact O-N 2.91Å; E65-Q68 PolarHBondContact O-N 3.06Å; E65-Q69 WeakPolarHBondContact O-CG 3.19Å; E65-Q69 PolarHBondContact O-N 2.82Å
66	L	94.6	Very high	93.1	Very high	89 Å²	89	84.7 Å²	84.7	47%	0.466	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-42.9	174.7	-177.2	61.4	0	0	0	111.7	G62 I63 Q68 Q69 S70 L80	G62-L66 WeakPolarHBondContact O-CB 3.41Å; G62-L66 PolarHBondContact O-N 3.37Å; I63-L66 PolarHBondContact O-N 3.35Å; L66-Q68 VanDerWaalsContact C-N 3.32Å; L66-Q68 PolarHBondContact O-N 2.88Å; L66-Q69 PolarHBondContact O-N 2.85Å; L66-S70 WeakPolarHBondContact O-CB 3.2Å; L66-S70 PolarHBondContact O-N 2.79Å; L66-S70 PolarHBondContact O-OG 3.08Å; L66-S70 VanDerWaalsContact O-OG 3.12Å; L66-L80 HydrophobicContact CB-CD1 4.27Å; L66-L80 HydrophobicContact CD2-CD1 3.89Å; L66-L80 HydrophobicContact CG-CD1 3.81Å
67	A	93.8	Very high	92.8	Very high	1 Å²	1	86.3 Å²	86.3	1%	0.008	43%	0.426	C	S	.	.	H	α-helix	trans	-56.8	-45.2	174.2	0	0	0	0	0	111.9	I63 R64 S70 A71 L80	I63-A67 PolarHBondContact O-N 3.37Å; R64-A67 WeakPolarHBondContact O-CB 3.48Å; R64-A67 PolarHBondContact O-N 3.07Å; A67-S70 CarbonylContact O-C 3.58Å; A67-S70 WeakPolarHBondContact O-CA 3.39Å; A67-S70 PolarHBondContact O-N 3.28Å; A67-S70 VanDerWaalsContact O-N 3.15Å; A67-A71 PolarHBondContact O-N 2.86Å; A67-L80 HydrophobicContact CB-CB 3.77Å; A67-L80 HydrophobicContact CB-CD1 4.41Å
68	Q	91.3	Very high	92.6	Very high	131 Å²	131	84.3 Å²	84.3	61%	0.612	42%	0.423	S	S	*	.	H	α-helix	trans	-65.8	-39.1	178.7	-71.2	173.4	-3.4	0	0	113.3	R64 E65 L66 S70 A71	R64-Q68 WeakPolarHBondContact O-CG 3.14Å; R64-Q68 PolarHBondContact O-N 2.83Å; E65-Q68 PolarHBondContact O-N 3.06Å; L66-Q68 VanDerWaalsContact C-N 3.32Å; L66-Q68 PolarHBondContact O-N 2.88Å; Q68-S70 PolarHBondContact O-N 3.14Å; Q68-A71 WeakPolarHBondContact O-CB 3.44Å; Q68-A71 PolarHBondContact O-N 3.3Å
69	Q	91.4	Very high	92.3	Very high	159 Å²	159	77.6 Å²	77.6	74%	0.743	39%	0.393	S	S	*	.	H	α-helix	trans	-65.2	-30.1	173.5	-69.7	179.4	24.8	0	0	111.9	E65 L66	E65-Q69 WeakPolarHBondContact O-CG 3.19Å; E65-Q69 PolarHBondContact O-N 2.82Å; L66-Q69 PolarHBondContact O-N 2.85Å
70	S	88.2	Confident	92.2	Very high	29 Å²	29	73.1 Å²	73.1	20%	0.203	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	11.5	178.8	-63	0	0	0	0	115	L66 A67 Q68 K72 D73	L66-S70 WeakPolarHBondContact O-CB 3.2Å; L66-S70 PolarHBondContact O-N 2.79Å; L66-S70 PolarHBondContact O-OG 3.08Å; L66-S70 VanDerWaalsContact O-OG 3.12Å; A67-S70 CarbonylContact O-C 3.58Å; A67-S70 WeakPolarHBondContact O-CA 3.39Å; A67-S70 PolarHBondContact O-N 3.28Å; A67-S70 VanDerWaalsContact O-N 3.15Å; Q68-S70 PolarHBondContact O-N 3.14Å; S70-K72 PolarHBondContact O-N 2.84Å; S70-D73 PolarHBondContact O-N 2.72Å
71	A	81.4	Confident	92.1	Very high	56 Å²	56	75.2 Å²	75.2	46%	0.463	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	16.8	-177.9	0	0	0	0	0	116.8	A67 Q68 E77	A67-A71 PolarHBondContact O-N 2.86Å; Q68-A71 WeakPolarHBondContact O-CB 3.44Å; Q68-A71 PolarHBondContact O-N 3.3Å; A71-E77 WeakPolarHBondContact CA-OE2 3.45Å
72	K	86.4	Confident	92	Very high	217 Å²	217	76.3 Å²	76.3	94%	0.943	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-10.6	165.2	-64	-178.4	-178.1	175.2	0	112.7	S70	S70-K72 PolarHBondContact O-N 2.84Å
73	D	89.1	Confident	91.9	Very high	63 Å²	63	77 Å²	77	34%	0.337	38%	0.382	S	S	.	.			trans	-121.2	100.1	178.3	-174	-38.8	0	0	0	108.3	S70 V75 I76 E77	S70-D73 PolarHBondContact O-N 2.72Å; D73-V75 PolarHBondContact O-N 2.74Å; D73-V75 WeakPolarHBondContact OD1-CB 3.4Å; D73-V75 PolarHBondContact OD1-N 3.26Å; D73-I76 HydrophobicContact CB-CB 4.18Å; D73-I76 HydrophobicContact CB-CD1 4.08Å; D73-I76 HydrophobicContact CB-CG1 4.22Å; D73-I76 PolarHBondContact O-N 2.93Å; D73-I76 PolarHBondContact OD1-N 3.47Å; D73-I76 WeakPolarHBondContact OD2-CD1 3.34Å; D73-E77 WeakPolarHBondContact O-CB 3.39Å; D73-E77 PolarHBondContact O-N 2.94Å
74	E	88.4	Confident	91.9	Very high	163 Å²	163	75.8 Å²	75.8	76%	0.762	38%	0.376	S	S	*	.	H	α-helix	trans	-60.8	-28.9	-177.6	-172.3	-179.2	175.8	0	0	112.5	S78	E74-S78 WeakPolarHBondContact O-CB 3.18Å; E74-S78 PolarHBondContact O-N 3.48Å; E74-S78 PolarHBondContact O-OG 3.23Å
75	V	88.1	Confident	92	Very high	46 Å²	46	76 Å²	76	28%	0.279	38%	0.382	S	S	.	.	H	α-helix	trans	-73.9	-43.7	-179.7	-177.1	0	0	0	0	110.1	D73 S79 L220	D73-V75 PolarHBondContact O-N 2.74Å; D73-V75 WeakPolarHBondContact OD1-CB 3.4Å; D73-V75 PolarHBondContact OD1-N 3.26Å; V75-S79 WeakPolarHBondContact O-CB 3.09Å; V75-S79 PolarHBondContact O-N 3.34Å; V75-S79 PolarHBondContact O-OG 3.03Å; V75-L220 HydrophobicContact CG1-CD1 4.12Å
76	I	90.1	Very high	92	Very high	69 Å²	69	71.5 Å²	71.5	35%	0.354	36%	0.363	S	S	.	.	H	α-helix	trans	-67.2	-50.9	176.2	-63.4	176	0	0	0	110.5	D73 S78 S79 L80	D73-I76 HydrophobicContact CB-CB 4.18Å; D73-I76 HydrophobicContact CB-CD1 4.08Å; D73-I76 HydrophobicContact CB-CG1 4.22Å; D73-I76 PolarHBondContact O-N 2.93Å; D73-I76 PolarHBondContact OD1-N 3.47Å; D73-I76 WeakPolarHBondContact OD2-CD1 3.34Å; I76-S78 PolarHBondContact O-N 3.42Å; I76-S79 PolarHBondContact O-N 3.48Å; I76-L80 HydrophobicContact CG2-CD1 3.64Å; I76-L80 HydrophobicContact CG2-CG 4.19Å; I76-L80 WeakPolarHBondContact O-CB 3.43Å; I76-L80 WeakPolarHBondContact O-CG 3.22Å; I76-L80 PolarHBondContact O-N 3.32Å
77	E	92.8	Very high	92.1	Very high	74 Å²	74	69.9 Å²	69.9	35%	0.346	35%	0.354	S	S	.	.	H	α-helix	trans	-58.9	-51.2	-178	-178	178.8	-167.1	0	0	111.8	A71 D73 S79 T81	A71-E77 WeakPolarHBondContact CA-OE2 3.45Å; D73-E77 WeakPolarHBondContact O-CB 3.39Å; D73-E77 PolarHBondContact O-N 2.94Å; E77-S79 VanDerWaalsContact C-N 3.35Å; E77-S79 PolarHBondContact O-N 2.71Å; E77-T81 VanDerWaalsContact O-CB 3.27Å; E77-T81 WeakPolarHBondContact O-CB 3.23Å; E77-T81 PolarHBondContact O-N 3.38Å; E77-T81 PolarHBondContact O-OG1 2.67Å
78	S	91.6	Very high	92.3	Very high	47 Å²	47	71.5 Å²	71.5	33%	0.329	36%	0.362	S	S	.	.	H	α-helix	trans	-69.6	-30.4	-176.4	67.3	0	0	0	0	113.4	E74 I76 K82	E74-S78 WeakPolarHBondContact O-CB 3.18Å; E74-S78 PolarHBondContact O-N 3.48Å; E74-S78 PolarHBondContact O-OG 3.23Å; I76-S78 PolarHBondContact O-N 3.42Å; S78-K82 WeakPolarHBondContact O-CD 3.34Å; S78-K82 VanDerWaalsContact O-CG 3.31Å; S78-K82 WeakPolarHBondContact O-CG 3.36Å; S78-K82 PolarHBondContact O-N 2.92Å
79	S	93.3	Very high	92.6	Very high	7 Å²	7	69.1 Å²	69.1	5%	0.049	35%	0.35	C	S	.	.	H	α-helix	trans	-75.7	-48.9	177.8	-59.8	0	0	0	0	111.9	V75 I76 E77 T81 K82 F83	V75-S79 WeakPolarHBondContact O-CB 3.09Å; V75-S79 PolarHBondContact O-N 3.34Å; V75-S79 PolarHBondContact O-OG 3.03Å; I76-S79 PolarHBondContact O-N 3.48Å; E77-S79 VanDerWaalsContact C-N 3.35Å; E77-S79 PolarHBondContact O-N 2.71Å; S79-T81 VanDerWaalsContact C-N 3.31Å; S79-T81 PolarHBondContact O-N 3.32Å; S79-K82 PolarHBondContact O-N 2.8Å; S79-F83 WeakPolarHBondContact O-CD2 3.34Å; S79-F83 WeakPolarHBondContact O-CG 3.38Å; S79-F83 PolarHBondContact O-N 2.78Å
80	L	95.3	Very high	92.9	Very high	38 Å²	38	63.2 Å²	63.2	20%	0.199	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-36.6	178.9	-67.7	-177.7	0	0	0	111.8	I63 L66 A67 I76 F83 A84	I63-L80 HydrophobicContact CG2-CB 4.05Å; I63-L80 HydrophobicContact CG2-CD2 4.23Å; I63-L80 WeakPolarHBondContact CG2-O 3.23Å; L66-L80 HydrophobicContact CB-CD1 4.27Å; L66-L80 HydrophobicContact CD2-CD1 3.89Å; L66-L80 HydrophobicContact CG-CD1 3.81Å; A67-L80 HydrophobicContact CB-CB 3.77Å; A67-L80 HydrophobicContact CB-CD1 4.41Å; I76-L80 HydrophobicContact CG2-CD1 3.64Å; I76-L80 HydrophobicContact CG2-CG 4.19Å; I76-L80 WeakPolarHBondContact O-CB 3.43Å; I76-L80 WeakPolarHBondContact O-CG 3.22Å; I76-L80 PolarHBondContact O-N 3.32Å; L80-F83 PolarHBondContact O-N 3.4Å; L80-A84 WeakPolarHBondContact O-CB 3.46Å; L80-A84 PolarHBondContact O-N 3.23Å
81	T	95	Very high	93.4	Very high	46 Å²	46	62 Å²	62	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-50.2	175.7	-59.5	0	0	0	0	111.4	E77 S79 F83 A84 E85	E77-T81 VanDerWaalsContact O-CB 3.27Å; E77-T81 WeakPolarHBondContact O-CB 3.23Å; E77-T81 PolarHBondContact O-N 3.38Å; E77-T81 PolarHBondContact O-OG1 2.67Å; S79-T81 VanDerWaalsContact C-N 3.31Å; S79-T81 PolarHBondContact O-N 3.32Å; T81-F83 VanDerWaalsContact C-N 3.35Å; T81-F83 PolarHBondContact O-N 3.15Å; T81-A84 WeakPolarHBondContact O-CB 3.47Å; T81-A84 PolarHBondContact O-N 3.11Å; T81-A84 VanDerWaalsContact O-N 3.15Å; T81-E85 WeakPolarHBondContact O-CG 3.48Å; T81-E85 PolarHBondContact O-N 3.06Å
82	K	95.1	Very high	94.1	Very high	93 Å²	93	61.9 Å²	61.9	40%	0.404	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-39.9	177.9	-71.4	171.2	-173.1	169.3	0	112.5	S78 S79 E85 S86 L216	S78-K82 WeakPolarHBondContact O-CD 3.34Å; S78-K82 VanDerWaalsContact O-CG 3.31Å; S78-K82 WeakPolarHBondContact O-CG 3.36Å; S78-K82 PolarHBondContact O-N 2.92Å; S79-K82 PolarHBondContact O-N 2.8Å; K82-E85 PolarHBondContact O-N 2.72Å; K82-S86 PolarHBondContact O-N 2.7Å; K82-S86 PolarHBondContact O-OG 2.95Å; K82-L216 HydrophobicContact CB-CD2 3.7Å; K82-L216 HydrophobicContact CD-CD1 3.93Å; K82-L216 HydrophobicContact CD-CD2 3.56Å; K82-L216 HydrophobicContact CD-CG 4.41Å; K82-L216 HydrophobicContact CG-CD2 4.28Å
83	F	96.2	Very high	94.7	Very high	48 Å²	48	53.6 Å²	53.6	21%	0.211	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-40.3	174.2	-64.7	-26	0	0	0	112.4	S79 L80 T81 E85 L87 L213 L216 M217 L220	S79-F83 WeakPolarHBondContact O-CD2 3.34Å; S79-F83 WeakPolarHBondContact O-CG 3.38Å; S79-F83 PolarHBondContact O-N 2.78Å; L80-F83 PolarHBondContact O-N 3.4Å; T81-F83 VanDerWaalsContact C-N 3.35Å; T81-F83 PolarHBondContact O-N 3.15Å; F83-E85 VanDerWaalsContact C-N 3.35Å; F83-L87 WeakPolarHBondContact O-CB 3.47Å; F83-L87 VanDerWaalsContact O-CG 3.23Å; F83-L87 WeakPolarHBondContact O-CG 3.4Å; F83-L87 PolarHBondContact O-N 2.92Å; F83-L213 HydrophobicContact CD1-CD1 4.06Å; F83-L213 HydrophobicContact CD1-CD2 4.04Å; F83-L213 HydrophobicContact CD1-CG 4.44Å; F83-L213 HydrophobicContact CE1-CD1 4.15Å; F83-L213 HydrophobicContact CE1-CD2 4.3Å; F83-L213 HydrophobicContact CE1-CG 4.37Å; F83-L216 HydrophobicContact CD1-CD2 4.44Å; F83-L216 HydrophobicContact CE1-CD2 3.99Å; F83-M217 HydrophobicContact CE1-CG 3.95Å; F83-M217 HydrophobicContact CZ-CG 4.31Å; F83-L220 HydrophobicContact CE2-CD2 3.67Å; F83-L220 HydrophobicContact CZ-CD2 3.66Å
84	A	97.2	Very high	95.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-39.2	175	0	0	0	0	0	112.1	V60 I63 L80 T81 Q88	V60-A84 HydrophobicContact CG1-CB 4.04Å; V60-A84 WeakPolarHBondContact CG1-O 3.33Å; I63-A84 HydrophobicContact CB-CB 4.46Å; I63-A84 HydrophobicContact CG2-CB 4.01Å; L80-A84 WeakPolarHBondContact O-CB 3.46Å; L80-A84 PolarHBondContact O-N 3.23Å; T81-A84 WeakPolarHBondContact O-CB 3.47Å; T81-A84 PolarHBondContact O-N 3.11Å; T81-A84 VanDerWaalsContact O-N 3.15Å; A84-Q88 VanDerWaalsContact O-CB 3.28Å; A84-Q88 WeakPolarHBondContact O-CB 3.36Å; A84-Q88 PolarHBondContact O-N 3.36Å
85	E	96.6	Very high	95.5	Very high	108 Å²	108	47 Å²	47	51%	0.505	24%	0.24	S	C	.	.	H	α-helix	trans	-63.8	-51.5	175.4	-72	170.3	167	0	0	112	T81 K82 F83 L87 Q88 E89	T81-E85 WeakPolarHBondContact O-CG 3.48Å; T81-E85 PolarHBondContact O-N 3.06Å; K82-E85 PolarHBondContact O-N 2.72Å; F83-E85 VanDerWaalsContact C-N 3.35Å; E85-L87 PolarHBondContact O-N 3.49Å; E85-Q88 WeakPolarHBondContact O-CB 3.13Å; E85-Q88 PolarHBondContact O-N 3.28Å; E85-Q88 VanDerWaalsContact O-N 3.1Å; E85-E89 PolarHBondContact O-N 3.24Å
86	S	96.9	Very high	95.9	Very high	16 Å²	16	49.2 Å²	49.2	11%	0.112	25%	0.25	C	C	.	.	H	α-helix	trans	-62.1	-40.6	177.5	-56.1	0	0	0	0	112.5	K82 Q88 E89 M90 L209	K82-S86 PolarHBondContact O-N 2.7Å; K82-S86 PolarHBondContact O-OG 2.95Å; S86-Q88 VanDerWaalsContact C-N 3.3Å; S86-Q88 PolarHBondContact O-N 3.22Å; S86-E89 PolarHBondContact O-N 2.77Å; S86-M90 PolarHBondContact O-N 3.32Å; S86-L209 WeakPolarHBondContact O-CD2 3.36Å
87	L	96.9	Very high	96.2	Very high	56 Å²	56	46.4 Å²	46.4	29%	0.293	24%	0.236	S	C	.	.	H	α-helix	trans	-66	-33.8	175	-70	172.4	0	0	0	112	V60 I63 F83 E85 M90 I91 F210	V60-L87 HydrophobicContact CG2-CB 3.49Å; V60-L87 VanDerWaalsContact CG2-CB 3.49Å; V60-L87 HydrophobicContact CG2-CD1 4.18Å; V60-L87 HydrophobicContact CG2-CG 4.48Å; I63-L87 HydrophobicContact CD1-CD1 3.87Å; F83-L87 WeakPolarHBondContact O-CB 3.47Å; F83-L87 VanDerWaalsContact O-CG 3.23Å; F83-L87 WeakPolarHBondContact O-CG 3.4Å; F83-L87 PolarHBondContact O-N 2.92Å; E85-L87 PolarHBondContact O-N 3.49Å; L87-M90 PolarHBondContact O-N 3.05Å; L87-I91 WeakPolarHBondContact O-CD1 3.28Å; L87-I91 VanDerWaalsContact O-CG1 3.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.25Å; L87-I91 PolarHBondContact O-N 3.32Å; L87-I91 VanDerWaalsContact O-N 3.13Å; L87-F210 HydrophobicContact CD2-CZ 4.49Å
88	Q	97.8	Very high	96.4	Very high	35 Å²	35	44 Å²	44	16%	0.164	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-40.9	175.2	-173.4	54.3	84.3	0	0	112.2	V60 A84 E85 S86 I91 N92	V60-Q88 HydrophobicContact CG1-CB 4.37Å; A84-Q88 VanDerWaalsContact O-CB 3.28Å; A84-Q88 WeakPolarHBondContact O-CB 3.36Å; A84-Q88 PolarHBondContact O-N 3.36Å; E85-Q88 WeakPolarHBondContact O-CB 3.13Å; E85-Q88 PolarHBondContact O-N 3.28Å; E85-Q88 VanDerWaalsContact O-N 3.1Å; S86-Q88 VanDerWaalsContact C-N 3.3Å; S86-Q88 PolarHBondContact O-N 3.22Å; Q88-I91 WeakPolarHBondContact O-CB 3.44Å; Q88-I91 PolarHBondContact O-N 3.28Å; Q88-N92 PolarHBondContact NE2-OD1 2.93Å; Q88-N92 VanDerWaalsContact O-CG 3.26Å; Q88-N92 PolarHBondContact O-N 3.45Å; Q88-N92 VanDerWaalsContact O-N 3.09Å; Q88-N92 PolarHBondContact O-ND2 3.26Å; Q88-N92 PolarHBondContact O-OD1 3.23Å
89	E	97.6	Very high	96.6	Very high	80 Å²	80	45 Å²	45	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-66.8	-37.2	174.2	-70.2	-50.8	140	0	0	112.5	E85 S86 I91 N92 Y93 L209	E85-E89 PolarHBondContact O-N 3.24Å; S86-E89 PolarHBondContact O-N 2.77Å; E89-I91 PolarHBondContact O-N 3.48Å; E89-N92 WeakPolarHBondContact O-CA 3.39Å; E89-N92 VanDerWaalsContact O-CB 3.31Å; E89-N92 WeakPolarHBondContact O-CB 3.11Å; E89-N92 PolarHBondContact O-N 3.44Å; E89-N92 PolarHBondContact OE1-ND2 3.24Å; E89-N92 VanDerWaalsContact OE1-ND2 3.14Å; E89-N92 PolarHBondContact OE2-ND2 2.96Å; E89-Y93 PolarHBondContact O-N 3.3Å; E89-L209 HydrophobicContact CB-CD1 4.48Å; E89-L209 HydrophobicContact CB-CD2 3.79Å
90	M	97.5	Very high	96.7	Very high	36 Å²	36	47.2 Å²	47.2	18%	0.177	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-32.4	173.9	-168.5	59.1	-177.1	0	0	112.8	S86 L87 Y93 H94 F202 L209 F210	S86-M90 PolarHBondContact O-N 3.32Å; L87-M90 PolarHBondContact O-N 3.05Å; M90-Y93 HydrophobicContact SD-CD2 4.28Å; M90-H94 PolarHBondContact O-N 3.27Å; M90-H94 VanDerWaalsContact O-N 3.17Å; M90-H94 PolarHBondContact O-ND1 2.77Å; M90-F202 HydrophobicContact CE-CE1 4.34Å; M90-F202 HydrophobicContact CE-CE2 3.7Å; M90-F202 HydrophobicContact CE-CZ 3.45Å; M90-F202 VanDerWaalsContact CE-CZ 3.45Å; M90-F202 HydrophobicContact SD-CE2 4.41Å; M90-L209 HydrophobicContact CB-CD2 4.46Å; M90-F210 HydrophobicContact CG-CE2 4.24Å; M90-F210 HydrophobicContact SD-CE2 4.26Å
91	I	97.6	Very high	96.6	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-70.5	-35.8	171.9	-65.7	161.8	0	0	0	111.1	N53 N56 K57 V60 L87 Q88 E89 H94 T95	N53-I91 HydrophobicContact CB-CG2 4.19Å; N53-I91 PolarHBondContact ND2-O 3.46Å; N56-I91 HydrophobicContact CB-CD1 3.76Å; N56-I91 HydrophobicContact CB-CG1 3.97Å; K57-I91 HydrophobicContact CD-CG2 4.37Å; K57-I91 HydrophobicContact CG-CD1 3.95Å; K57-I91 HydrophobicContact CG-CG2 3.95Å; V60-I91 HydrophobicContact CG2-CD1 4Å; L87-I91 WeakPolarHBondContact O-CD1 3.28Å; L87-I91 VanDerWaalsContact O-CG1 3.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.25Å; L87-I91 PolarHBondContact O-N 3.32Å; L87-I91 VanDerWaalsContact O-N 3.13Å; Q88-I91 WeakPolarHBondContact O-CB 3.44Å; Q88-I91 PolarHBondContact O-N 3.28Å; E89-I91 PolarHBondContact O-N 3.48Å; I91-H94 PolarHBondContact O-N 3.26Å; I91-T95 PolarHBondContact O-N 3.15Å; I91-T95 PolarHBondContact O-OG1 3.03Å
92	N	97.4	Very high	96.6	Very high	52 Å²	52	46 Å²	46	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-63.2	-45.9	175.1	-61.8	-20.2	0	0	0	110.5	Q88 E89 H94 T95 I96	Q88-N92 PolarHBondContact NE2-OD1 2.93Å; Q88-N92 VanDerWaalsContact O-CG 3.26Å; Q88-N92 PolarHBondContact O-N 3.45Å; Q88-N92 VanDerWaalsContact O-N 3.09Å; Q88-N92 PolarHBondContact O-ND2 3.26Å; Q88-N92 PolarHBondContact O-OD1 3.23Å; E89-N92 WeakPolarHBondContact O-CA 3.39Å; E89-N92 VanDerWaalsContact O-CB 3.31Å; E89-N92 WeakPolarHBondContact O-CB 3.11Å; E89-N92 PolarHBondContact O-N 3.44Å; E89-N92 PolarHBondContact OE1-ND2 3.24Å; E89-N92 VanDerWaalsContact OE1-ND2 3.14Å; E89-N92 PolarHBondContact OE2-ND2 2.96Å; N92-H94 PolarHBondContact O-N 3.44Å; N92-T95 WeakPolarHBondContact O-CA 2.95Å; N92-T95 WeakPolarHBondContact O-CB 3.3Å; N92-T95 PolarHBondContact O-N 3.15Å; N92-T95 VanDerWaalsContact O-N 3.08Å; N92-I96 WeakPolarHBondContact O-CG1 3.38Å; N92-I96 PolarHBondContact O-N 2.94Å
93	Y	97.9	Very high	96.6	Very high	44 Å²	44	46.7 Å²	46.7	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-43.1	176.7	-57.6	-26.7	0	0	0	112.9	E89 M90 T95 I96 L97 Q205 L209	E89-Y93 PolarHBondContact O-N 3.3Å; M90-Y93 HydrophobicContact SD-CD2 4.28Å; Y93-T95 VanDerWaalsContact C-N 3.26Å; Y93-T95 PolarHBondContact O-N 3.33Å; Y93-I96 PolarHBondContact O-N 2.93Å; Y93-L97 PolarHBondContact O-N 2.86Å; Y93-Q205 HydrophobicContact CD1-CB 4.24Å; Y93-Q205 HydrophobicContact CD2-CB 3.75Å; Y93-Q205 HydrophobicContact CE1-CB 4.19Å; Y93-Q205 HydrophobicContact CE2-CB 3.67Å; Y93-Q205 WeakPolarHBondContact CE2-O 3.45Å; Y93-Q205 HydrophobicContact CG-CB 4.05Å; Y93-L209 HydrophobicContact CD2-CD2 4.48Å; Y93-L209 HydrophobicContact CE2-CB 4.29Å; Y93-L209 HydrophobicContact CE2-CD2 3.82Å
94	H	97.2	Very high	96.5	Very high	26 Å²	26	44.4 Å²	44.4	12%	0.12	22%	0.215	C	C	.	.	H	α-helix	trans	-58.2	-40.3	171.5	-81	97.8	0	0	0	111.9	Y52 N53 M90 I91 N92 L97 F98 F202	Y52-H94 AromaticContact CE1-NE2 3.85Å; N53-H94 VanDerWaalsContact ND2-CB 3.33Å; N53-H94 WeakPolarHBondContact ND2-CB 3.44Å; N53-H94 WeakPolarHBondContact OD1-CB 3.23Å; M90-H94 PolarHBondContact O-N 3.27Å; M90-H94 VanDerWaalsContact O-N 3.17Å; M90-H94 PolarHBondContact O-ND1 2.77Å; I91-H94 PolarHBondContact O-N 3.26Å; N92-H94 PolarHBondContact O-N 3.44Å; H94-L97 WeakPolarHBondContact O-CB 3.28Å; H94-L97 PolarHBondContact O-N 3.02Å; H94-F98 HydrophobicContact CB-CE2 3.97Å; H94-F98 HydrophobicContact CB-CZ 4.42Å; H94-F98 WeakPolarHBondContact O-CD2 3.45Å; H94-F98 VanDerWaalsContact O-CG 3.3Å; H94-F98 WeakPolarHBondContact O-CG 3.39Å; H94-F98 PolarHBondContact O-N 3.09Å; H94-F202 HydrophobicContact CB-CE2 4.27Å; H94-F202 AromaticContact CD2-CE2 3.71Å; H94-F202 AromaticContact CD2-CZ 3.69Å; H94-F202 AromaticContact CE1-CE2 3.73Å; H94-F202 AromaticContact CE1-CZ 3.57Å; H94-F202 AromaticContact CG-CE2 3.55Å; H94-F202 AromaticContact CG-CZ 3.98Å; H94-F202 AromaticContact ND1-CE2 3.56Å; H94-F202 AromaticContact ND1-CZ 3.9Å; H94-F202 AromaticContact NE2-CE2 3.83Å; H94-F202 AromaticContact NE2-CZ 3.42Å; H94-F202 WeakPolarHBondContact NE2-CZ 3.3Å
95	T	96.9	Very high	96.2	Very high	60 Å²	60	44.7 Å²	44.7	37%	0.368	22%	0.217	S	C	.	.	H	α-helix	trans	-63.7	-44.6	179.5	-55.8	0	0	0	0	110.7	N53 I91 N92 Y93 L97 F98 D99	N53-T95 PolarHBondContact ND2-OG1 3.5Å; N53-T95 VanDerWaalsContact ND2-OG1 3.13Å; I91-T95 PolarHBondContact O-N 3.15Å; I91-T95 PolarHBondContact O-OG1 3.03Å; N92-T95 WeakPolarHBondContact O-CA 2.95Å; N92-T95 WeakPolarHBondContact O-CB 3.3Å; N92-T95 PolarHBondContact O-N 3.15Å; N92-T95 VanDerWaalsContact O-N 3.08Å; Y93-T95 VanDerWaalsContact C-N 3.26Å; Y93-T95 PolarHBondContact O-N 3.33Å; T95-L97 VanDerWaalsContact C-N 3.34Å; T95-L97 PolarHBondContact O-N 3.07Å; T95-F98 PolarHBondContact O-N 2.97Å; T95-D99 WeakPolarHBondContact O-CB 3.35Å; T95-D99 PolarHBondContact O-N 3.05Å
96	I	96.9	Very high	95.9	Very high	93 Å²	93	42.3 Å²	42.3	48%	0.477	20%	0.204	S	C	.	.	H	α-helix	trans	-60.6	-42.2	174.8	-65	166.1	0	0	0	111.3	N92 Y93 D99 Q100	N92-I96 WeakPolarHBondContact O-CG1 3.38Å; N92-I96 PolarHBondContact O-N 2.94Å; Y93-I96 PolarHBondContact O-N 2.93Å; I96-D99 PolarHBondContact O-N 3.25Å; I96-Q100 WeakPolarHBondContact O-CB 3.31Å; I96-Q100 PolarHBondContact O-N 3.05Å
97	L	97.3	Very high	95.6	Very high	11 Å²	11	45 Å²	45	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-50	176	173.6	64.1	0	0	0	111.8	Y93 H94 T95 D99 Q100 A101 A198 F202	Y93-L97 PolarHBondContact O-N 2.86Å; H94-L97 WeakPolarHBondContact O-CB 3.28Å; H94-L97 PolarHBondContact O-N 3.02Å; T95-L97 VanDerWaalsContact C-N 3.34Å; T95-L97 PolarHBondContact O-N 3.07Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 3.47Å; L97-Q100 PolarHBondContact O-N 3.27Å; L97-A101 WeakPolarHBondContact O-CB 2.8Å; L97-A101 PolarHBondContact O-N 3.02Å; L97-A198 HydrophobicContact CD1-CB 3.86Å; L97-F202 HydrophobicContact CB-CB 4.25Å; L97-F202 HydrophobicContact CB-CD2 4.28Å; L97-F202 HydrophobicContact CB-CG 4.36Å; L97-F202 HydrophobicContact CD1-CB 4.36Å; L97-F202 HydrophobicContact CD2-CB 4.19Å; L97-F202 HydrophobicContact CD2-CD1 3.91Å; L97-F202 HydrophobicContact CD2-CD2 4.11Å; L97-F202 HydrophobicContact CD2-CE1 4.32Å; L97-F202 HydrophobicContact CD2-CG 3.79Å
98	F	96.7	Very high	95.3	Very high	23 Å²	23	44.9 Å²	44.9	10%	0.101	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-38.2	179.8	-60.6	-40.8	0	0	0	112.2	I46 G49 H94 T95 Q100 A101 Q102	I46-F98 HydrophobicContact CG2-CB 4.35Å; G49-F98 WeakPolarHBondContact O-CE2 3.33Å; H94-F98 HydrophobicContact CB-CE2 3.97Å; H94-F98 HydrophobicContact CB-CZ 4.42Å; H94-F98 WeakPolarHBondContact O-CD2 3.45Å; H94-F98 VanDerWaalsContact O-CG 3.3Å; H94-F98 WeakPolarHBondContact O-CG 3.39Å; H94-F98 PolarHBondContact O-N 3.09Å; T95-F98 PolarHBondContact O-N 2.97Å; F98-Q100 VanDerWaalsContact C-N 3.34Å; F98-A101 PolarHBondContact O-N 2.99Å; F98-Q102 WeakPolarHBondContact O-CB 3.46Å; F98-Q102 PolarHBondContact O-N 3.46Å
99	D	95.9	Very high	95	Very high	67 Å²	67	43.4 Å²	43.4	36%	0.358	21%	0.211	S	C	.	.	H	α-helix	trans	-62.8	-41.5	174.6	-121.1	41.6	0	0	0	112	T95 I96 L97 Q102 R103	T95-D99 WeakPolarHBondContact O-CB 3.35Å; T95-D99 PolarHBondContact O-N 3.05Å; I96-D99 PolarHBondContact O-N 3.25Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 3.47Å; D99-Q102 WeakPolarHBondContact O-CB 3.39Å; D99-Q102 PolarHBondContact O-N 3.16Å; D99-R103 PolarHBondContact O-N 3.06Å; D99-R103 IonicContact OD2-CZ 2.84Å; D99-R103 IonicContact OD2-NH1 3.2Å; D99-R103 PolarHBondContact OD2-NH1 3.45Å
100	Q	95.1	Very high	94.6	Very high	54 Å²	54	42.1 Å²	42.1	25%	0.252	21%	0.206	S	C	.	.	H	α-helix	trans	-72.6	-37.5	177.7	-169.5	57.5	21.8	0	0	112.1	I96 L97 F98 Q102 R103 S104 S194 A198	I96-Q100 WeakPolarHBondContact O-CB 3.31Å; I96-Q100 PolarHBondContact O-N 3.05Å; L97-Q100 PolarHBondContact O-N 3.27Å; F98-Q100 VanDerWaalsContact C-N 3.34Å; Q100-Q102 VanDerWaalsContact C-N 3.31Å; Q100-Q102 PolarHBondContact O-N 2.89Å; Q100-R103 PolarHBondContact O-N 3.1Å; Q100-S104 WeakPolarHBondContact O-CB 3.44Å; Q100-S104 PolarHBondContact O-N 3.45Å; Q100-S104 PolarHBondContact O-OG 3.19Å; Q100-S194 PolarHBondContact NE2-OG 3.14Å; Q100-A198 HydrophobicContact CB-CB 3.89Å; Q100-A198 HydrophobicContact CG-CB 3.6Å
101	A	93.8	Very high	94.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-39.3	170.9	0	0	0	0	0	112	M45 I46 L97 F98 R103 S104 I105 F195	M45-A101 HydrophobicContact CE-CB 4.39Å; I46-A101 HydrophobicContact CD1-CB 4.15Å; I46-A101 HydrophobicContact CG1-CB 4.34Å; L97-A101 WeakPolarHBondContact O-CB 2.8Å; L97-A101 PolarHBondContact O-N 3.02Å; F98-A101 PolarHBondContact O-N 2.99Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.42Å; A101-S104 PolarHBondContact O-N 3.01Å; A101-I105 WeakPolarHBondContact O-CB 3.45Å; A101-I105 PolarHBondContact O-N 3.43Å; A101-F195 HydrophobicContact CB-CD2 3.72Å; A101-F195 HydrophobicContact CB-CE2 3.61Å
102	Q	95.1	Very high	93.9	Very high	57 Å²	57	43.8 Å²	43.8	27%	0.266	22%	0.217	S	C	.	.	I	π-helix	trans	-62.9	-40.5	174.5	-162.7	175.4	-102.4	0	0	111.4	I46 F98 D99 Q100 K106 T107	I46-Q102 HydrophobicContact CD1-CB 3.94Å; I46-Q102 HydrophobicContact CD1-CG 4.44Å; F98-Q102 WeakPolarHBondContact O-CB 3.46Å; F98-Q102 PolarHBondContact O-N 3.46Å; D99-Q102 WeakPolarHBondContact O-CB 3.39Å; D99-Q102 PolarHBondContact O-N 3.16Å; Q100-Q102 VanDerWaalsContact C-N 3.31Å; Q100-Q102 PolarHBondContact O-N 2.89Å; Q102-K106 HydrophobicContact CG-CB 4.49Å; Q102-K106 HydrophobicContact CG-CD 3.79Å; Q102-K106 WeakPolarHBondContact O-CB 3.48Å; Q102-K106 PolarHBondContact O-N 2.95Å; Q102-T107 PolarHBondContact O-N 3.05Å; Q102-T107 PolarHBondContact O-OG1 3.13Å
103	R	94.3	Very high	93.5	Very high	109 Å²	109	42 Å²	42	41%	0.411	21%	0.209	S	C	.	.	I	π-helix	trans	-73.2	-42.6	176.2	-71.5	-176.6	-69.3	-91.8	0.4	113	D99 Q100 A101 T107 Q108	D99-R103 PolarHBondContact O-N 3.06Å; D99-R103 IonicContact OD2-CZ 2.84Å; D99-R103 IonicContact OD2-NH1 3.2Å; D99-R103 PolarHBondContact OD2-NH1 3.45Å; Q100-R103 PolarHBondContact O-N 3.1Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.42Å; R103-T107 WeakPolarHBondContact O-CB 2.87Å; R103-Q108 PolarHBondContact O-N 3.18Å
104	S	93	Very high	93	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-79.8	-42.7	-172.8	63.6	0	0	0	0	113.5	Q100 A101 Q108 S191	Q100-S104 WeakPolarHBondContact O-CB 3.44Å; Q100-S104 PolarHBondContact O-N 3.45Å; Q100-S104 PolarHBondContact O-OG 3.19Å; A101-S104 PolarHBondContact O-N 3.01Å; S104-Q108 WeakPolarHBondContact O-CB 3.43Å; S104-S191 WeakPolarHBondContact O-CB 3.41Å; S104-S191 PolarHBondContact O-OG 3.41Å
105	I	91.9	Very high	92.5	Very high	6 Å²	6	48 Å²	48	3%	0.031	24%	0.239	C	C	.	.	I	π-helix	trans	-93.2	-64.6	-179	-54.8	-55.7	0	0	0	110.4	C42 A101 L109 S191 F195	C42-I105 HydrophobicContact CB-CB 4.27Å; C42-I105 HydrophobicContact CB-CG2 3.66Å; C42-I105 VanDerWaalsContact SG-CB 3.59Å; A101-I105 WeakPolarHBondContact O-CB 3.45Å; A101-I105 PolarHBondContact O-N 3.43Å; I105-L109 HydrophobicContact CG2-CD1 3.95Å; I105-L109 VanDerWaalsContact O-CB 3.26Å; I105-L109 WeakPolarHBondContact O-CB 3.39Å; I105-L109 WeakPolarHBondContact O-CG 3.46Å; I105-L109 PolarHBondContact O-N 2.83Å; I105-L109 VanDerWaalsContact O-N 3.11Å; I105-S191 WeakPolarHBondContact CD1-OG 3.47Å; I105-F195 HydrophobicContact CD1-CB 3.67Å; I105-F195 HydrophobicContact CD1-CD1 4.46Å; I105-F195 HydrophobicContact CD1-CG 4.03Å; I105-F195 HydrophobicContact CG1-CB 4.01Å; I105-F195 HydrophobicContact CG1-CD2 4.09Å; I105-F195 HydrophobicContact CG1-CG 3.99Å
106	K	90.1	Very high	92	Very high	58 Å²	58	46.4 Å²	46.4	25%	0.252	23%	0.228	S	C	.	.	I	π-helix	trans	-60.9	-57.6	-173.5	175.1	-168.5	-174.5	176.1	0	111.1	V39 I43 Q102 Q110	V39-K106 HydrophobicContact CG1-CG 4.35Å; I43-K106 HydrophobicContact CD1-CD 4.12Å; I43-K106 HydrophobicContact CD1-CG 4.27Å; I43-K106 HydrophobicContact CG1-CD 3.91Å; I43-K106 HydrophobicContact CG1-CG 4.26Å; Q102-K106 HydrophobicContact CG-CB 4.49Å; Q102-K106 HydrophobicContact CG-CD 3.79Å; Q102-K106 WeakPolarHBondContact O-CB 3.48Å; Q102-K106 PolarHBondContact O-N 2.95Å; K106-Q110 WeakPolarHBondContact O-CB 3.36Å; K106-Q110 WeakPolarHBondContact O-CG 3.44Å; K106-Q110 PolarHBondContact O-N 3.1Å
107	T	91.3	Very high	91.6	Very high	72 Å²	72	42 Å²	42	44%	0.442	21%	0.206	S	C	.	.	I	π-helix	trans	-65.8	-51	-175.4	-54.8	0	0	0	0	112.7	Q102 R103 Q110 T111	Q102-T107 PolarHBondContact O-N 3.05Å; Q102-T107 PolarHBondContact O-OG1 3.13Å; R103-T107 WeakPolarHBondContact O-CB 2.87Å; T107-Q110 PolarHBondContact O-N 3.24Å; T107-T111 WeakPolarHBondContact O-CB 3.19Å; T107-T111 PolarHBondContact O-N 3.06Å; T107-T111 PolarHBondContact O-OG1 2.99Å
108	Q	90.4	Very high	91.1	Very high	55 Å²	55	48.6 Å²	48.6	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-46.1	-175.7	-64	174.2	24.1	0	0	112.7	R103 S104 T111 F112	R103-Q108 PolarHBondContact O-N 3.18Å; S104-Q108 WeakPolarHBondContact O-CB 3.43Å; Q108-T111 PolarHBondContact O-N 3.49Å; Q108-F112 PolarHBondContact O-N 3.32Å
109	L	90.3	Very high	90.8	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-70.7	-37.3	180	-58.3	-178.6	0	0	0	111.8	L35 L38 V39 I105 T111 F112 V113 S191	L35-L109 HydrophobicContact CD2-CD1 4.31Å; L35-L109 HydrophobicContact CD2-CD2 4.32Å; L38-L109 HydrophobicContact CD2-CD1 3.91Å; L38-L109 HydrophobicContact CG-CD1 4.48Å; V39-L109 HydrophobicContact CG2-CB 3.81Å; V39-L109 HydrophobicContact CG2-CD1 4.34Å; I105-L109 HydrophobicContact CG2-CD1 3.95Å; I105-L109 VanDerWaalsContact O-CB 3.26Å; I105-L109 WeakPolarHBondContact O-CB 3.39Å; I105-L109 WeakPolarHBondContact O-CG 3.46Å; I105-L109 PolarHBondContact O-N 2.83Å; I105-L109 VanDerWaalsContact O-N 3.11Å; L109-T111 VanDerWaalsContact C-N 3.34Å; L109-T111 PolarHBondContact O-N 2.84Å; L109-F112 PolarHBondContact O-N 2.94Å; L109-V113 WeakPolarHBondContact O-CG2 3.45Å; L109-V113 PolarHBondContact O-N 2.82Å; L109-S191 WeakPolarHBondContact CG-OG 3.5Å
110	Q	89.6	Confident	90.6	Very high	54 Å²	54	49.9 Å²	49.9	25%	0.252	23%	0.232	S	C	.	.	H	α-helix	trans	-64.2	-37.3	173.7	-74.2	-177.3	-22.9	0	0	112.3	V39 K106 T107 K114	V39-Q110 HydrophobicContact CG1-CG 3.7Å; V39-Q110 VanDerWaalsContact CG1-NE2 3.35Å; V39-Q110 HydrophobicContact CG2-CG 4.23Å; K106-Q110 WeakPolarHBondContact O-CB 3.36Å; K106-Q110 WeakPolarHBondContact O-CG 3.44Å; K106-Q110 PolarHBondContact O-N 3.1Å; T107-Q110 PolarHBondContact O-N 3.24Å; Q110-K114 WeakPolarHBondContact O-CB 3.36Å; Q110-K114 VanDerWaalsContact O-CG 3.27Å; Q110-K114 WeakPolarHBondContact O-CG 3.47Å; Q110-K114 PolarHBondContact O-N 2.78Å
111	T	90.8	Very high	90.4	Very high	69 Å²	69	51.8 Å²	51.8	42%	0.423	24%	0.239	S	C	.	.	H	α-helix	trans	-64.8	-44.8	174.5	-63.3	0	0	0	0	111	T107 Q108 L109 V113 K114 D115	T107-T111 WeakPolarHBondContact O-CB 3.19Å; T107-T111 PolarHBondContact O-N 3.06Å; T107-T111 PolarHBondContact O-OG1 2.99Å; Q108-T111 PolarHBondContact O-N 3.49Å; L109-T111 VanDerWaalsContact C-N 3.34Å; L109-T111 PolarHBondContact O-N 2.84Å; T111-V113 PolarHBondContact O-N 2.77Å; T111-K114 PolarHBondContact O-N 2.69Å; T111-D115 WeakPolarHBondContact O-CB 3.39Å; T111-D115 PolarHBondContact O-N 2.9Å
112	F	90.3	Very high	90.4	Very high	5 Å²	5	56 Å²	56	2%	0.022	26%	0.259	C	S	.	.	I	π-helix	trans	-59.1	-45.8	175.6	178.4	-108.3	0	0	0	112.4	L35 Q108 L109 D116 L117 L180 K183 R184 E187	L35-F112 HydrophobicContact CD1-CD1 3.88Å; L35-F112 HydrophobicContact CD1-CE1 3.93Å; Q108-F112 PolarHBondContact O-N 3.32Å; L109-F112 PolarHBondContact O-N 2.94Å; F112-D116 HydrophobicContact CD2-CB 3.95Å; F112-D116 HydrophobicContact CE2-CB 3.99Å; F112-D116 PolarHBondContact O-N 2.86Å; F112-L117 HydrophobicContact CE1-CD1 4.36Å; F112-L117 PolarHBondContact O-N 3.25Å; F112-L180 HydrophobicContact CE2-CD1 3.91Å; F112-L180 HydrophobicContact CZ-CD1 3.62Å; F112-K183 HydrophobicContact CE2-CB 4.03Å; F112-R184 HydrophobicContact CZ-CB 4.12Å; F112-E187 HydrophobicContact CD2-CB 4.23Å; F112-E187 HydrophobicContact CD2-CG 3.91Å; F112-E187 HydrophobicContact CE2-CG 4.37Å; F112-E187 HydrophobicContact CG-CB 4.37Å; F112-E187 HydrophobicContact CG-CG 4.46Å
113	V	88.3	Confident	90.3	Very high	16 Å²	16	53.9 Å²	53.9	10%	0.097	25%	0.251	C	S	.	.	I	π-helix	trans	-64.3	-41	175.3	172.9	0	0	0	0	111.9	E32 L35 L109 T111 L117	E32-V113 HydrophobicContact CG-CG1 4.25Å; L35-V113 HydrophobicContact CB-CG2 3.99Å; L35-V113 HydrophobicContact CD1-CG2 4.09Å; L109-V113 WeakPolarHBondContact O-CG2 3.45Å; L109-V113 PolarHBondContact O-N 2.82Å; T111-V113 PolarHBondContact O-N 2.77Å; V113-L117 HydrophobicContact CB-CD1 4.24Å; V113-L117 HydrophobicContact CG1-CD1 4.39Å; V113-L117 HydrophobicContact CG2-CD1 3.91Å; V113-L117 WeakPolarHBondContact O-CB 3.28Å
114	K	87.6	Confident	90.4	Very high	122 Å²	122	51.5 Å²	51.5	53%	0.53	24%	0.244	S	C	.	.	I	π-helix	trans	-76.3	-30	-178	-78.6	-179.5	175.4	-179.2	0	114.2	Q110 T111 R118	Q110-K114 WeakPolarHBondContact O-CB 3.36Å; Q110-K114 VanDerWaalsContact O-CG 3.27Å; Q110-K114 WeakPolarHBondContact O-CG 3.47Å; Q110-K114 PolarHBondContact O-N 2.78Å; T111-K114 PolarHBondContact O-N 2.69Å; K114-R118 WeakPolarHBondContact O-CB 3.14Å; K114-R118 PolarHBondContact O-NE 2.91Å; K114-R118 PolarHBondContact O-NH2 3.01Å
115	D	87.9	Confident	90.5	Very high	73 Å²	73	58 Å²	58	39%	0.39	27%	0.272	S	S	.	.	I	π-helix	trans	-115.2	-43.4	-166	-64.7	-12.9	0	0	0	113.7	T111 R118 K119	T111-D115 WeakPolarHBondContact O-CB 3.39Å; T111-D115 PolarHBondContact O-N 2.9Å; D115-R118 IonicContact OD1-NH2 3.46Å; D115-R118 PolarHBondContact OD1-NH2 3.36Å; D115-K119 WeakPolarHBondContact O-CD 3.47Å; D115-K119 WeakPolarHBondContact O-CE 3.36Å; D115-K119 VanDerWaalsContact O-CG 3.29Å; D115-K119 WeakPolarHBondContact O-CG 3.18Å
116	D	86.1	Confident	90.6	Very high	27 Å²	27	61.6 Å²	61.6	14%	0.144	29%	0.289	C	S	.	.	I	π-helix	trans	-85	-45	178.5	-77.3	-47.5	0	0	0	111.3	F112 R118 K119 F120 L180 K183	F112-D116 HydrophobicContact CD2-CB 3.95Å; F112-D116 HydrophobicContact CE2-CB 3.99Å; F112-D116 PolarHBondContact O-N 2.86Å; D116-R118 VanDerWaalsContact C-N 3.3Å; D116-R118 PolarHBondContact O-N 2.93Å; D116-K119 PolarHBondContact O-N 2.82Å; D116-F120 PolarHBondContact O-N 3.48Å; D116-L180 HydrophobicContact CB-CD1 4.23Å; D116-K183 IonicContact OD1-NZ 3.58Å; D116-K183 PolarHBondContact OD1-NZ 2.8Å; D116-K183 WeakPolarHBondContact OD2-CD 3.4Å; D116-K183 IonicContact OD2-NZ 3.59Å; D116-K183 PolarHBondContact OD2-NZ 3.44Å
117	L	87.4	Confident	90.9	Very high	1 Å²	1	59 Å²	59	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-32.2	174.6	-102.5	157.8	0	0	0	112.7	V28 E32 F112 V113 K121 L180	V28-L117 HydrophobicContact CG1-CD2 3.41Å; V28-L117 VanDerWaalsContact CG1-CD2 3.41Å; E32-L117 HydrophobicContact CB-CD1 4.09Å; E32-L117 HydrophobicContact CB-CD2 4.24Å; E32-L117 HydrophobicContact CG-CD1 4.31Å; F112-L117 HydrophobicContact CE1-CD1 4.36Å; F112-L117 PolarHBondContact O-N 3.25Å; V113-L117 HydrophobicContact CB-CD1 4.24Å; V113-L117 HydrophobicContact CG1-CD1 4.39Å; V113-L117 HydrophobicContact CG2-CD1 3.91Å; V113-L117 WeakPolarHBondContact O-CB 3.28Å; L117-K121 WeakPolarHBondContact O-CG 3.32Å; L117-K121 PolarHBondContact O-N 2.7Å; L117-K121 VanDerWaalsContact O-N 3.08Å; L117-L180 HydrophobicContact CD2-CD2 4.49Å; L117-L180 HydrophobicContact CG-CD1 4.47Å
118	R	88.1	Confident	91.1	Very high	149 Å²	149	58.9 Å²	58.9	56%	0.562	27%	0.274	S	S	*	.	H	α-helix	trans	-67.1	-40.3	174	-168.4	-167.6	-43.3	-173.8	16.4	112.8	K114 D115 D116 F120 K121 E122	K114-R118 WeakPolarHBondContact O-CB 3.14Å; K114-R118 PolarHBondContact O-NE 2.91Å; K114-R118 PolarHBondContact O-NH2 3.01Å; D115-R118 IonicContact OD1-NH2 3.46Å; D115-R118 PolarHBondContact OD1-NH2 3.36Å; D116-R118 VanDerWaalsContact C-N 3.3Å; D116-R118 PolarHBondContact O-N 2.93Å; R118-F120 VanDerWaalsContact C-N 3.33Å; R118-K121 PolarHBondContact O-N 2.87Å; R118-E122 PolarHBondContact O-N 3.27Å
119	K	89.4	Confident	91.4	Very high	110 Å²	110	62.2 Å²	62.2	48%	0.478	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-41.6	177	-72.1	165.5	-170.2	167.3	0	111.3	D115 D116 E122 A123	D115-K119 WeakPolarHBondContact O-CD 3.47Å; D115-K119 WeakPolarHBondContact O-CE 3.36Å; D115-K119 VanDerWaalsContact O-CG 3.29Å; D115-K119 WeakPolarHBondContact O-CG 3.18Å; D116-K119 PolarHBondContact O-N 2.82Å; K119-E122 PolarHBondContact O-N 3.18Å; K119-A123 WeakPolarHBondContact O-CB 3.2Å; K119-A123 PolarHBondContact O-N 3.07Å
120	F	91.6	Very high	91.7	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-46.4	172.1	167.3	-99.2	0	0	0	112.2	E25 V28 D116 R118 E122 A123 K124 Y173 I177 L180	E25-F120 HydrophobicContact CG-CZ 4.09Å; V28-F120 HydrophobicContact CB-CE1 4.05Å; V28-F120 HydrophobicContact CB-CZ 4.28Å; V28-F120 HydrophobicContact CG1-CD1 3.71Å; V28-F120 HydrophobicContact CG1-CE1 3.5Å; V28-F120 VanDerWaalsContact CG1-CE1 3.5Å; V28-F120 HydrophobicContact CG1-CZ 4.15Å; V28-F120 HydrophobicContact CG2-CZ 4.41Å; D116-F120 PolarHBondContact O-N 3.48Å; R118-F120 VanDerWaalsContact C-N 3.33Å; F120-E122 PolarHBondContact O-N 3.46Å; F120-A123 PolarHBondContact O-N 3.16Å; F120-K124 WeakPolarHBondContact O-CB 3.48Å; F120-K124 PolarHBondContact O-N 2.98Å; F120-Y173 AromaticContact CD2-CE2 3.83Å; F120-Y173 HydrophobicContact CD2-CE2 3.83Å; F120-Y173 AromaticContact CE2-CE2 3.56Å; F120-Y173 HydrophobicContact CE2-CE2 3.56Å; F120-Y173 AromaticContact CE2-CZ 3.82Å; F120-Y173 VanDerWaalsContact CE2-OH 3.3Å; F120-Y173 WeakPolarHBondContact CE2-OH 3.17Å; F120-Y173 HydrophobicContact CZ-CE2 4.36Å; F120-Y173 WeakPolarHBondContact CZ-OH 3.29Å; F120-I177 HydrophobicContact CD2-CG1 4.02Å; F120-I177 HydrophobicContact CE2-CD1 4.37Å; F120-I177 HydrophobicContact CE2-CG1 3.65Å; F120-L180 HydrophobicContact CB-CD2 3.92Å; F120-L180 HydrophobicContact CD1-CD2 4.33Å; F120-L180 HydrophobicContact CD2-CD2 4.26Å; F120-L180 HydrophobicContact CG-CD2 3.9Å
121	K	91.6	Very high	91.9	Very high	95 Å²	95	60.9 Å²	60.9	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-40.7	178.4	-75.8	179	173.1	-178.7	0	113.6	E32 L117 R118 K125	E32-K121 IonicContact OE1-NZ 2.75Å; E32-K121 PolarHBondContact OE1-NZ 2.95Å; E32-K121 VanDerWaalsContact OE2-CE 3.32Å; E32-K121 WeakPolarHBondContact OE2-CE 3.21Å; E32-K121 IonicContact OE2-NZ 3.71Å; E32-K121 PolarHBondContact OE2-NZ 3.2Å; L117-K121 WeakPolarHBondContact O-CG 3.32Å; L117-K121 PolarHBondContact O-N 2.7Å; L117-K121 VanDerWaalsContact O-N 3.08Å; R118-K121 PolarHBondContact O-N 2.87Å; K121-K125 WeakPolarHBondContact O-CB 3.46Å; K121-K125 PolarHBondContact O-N 2.96Å
122	E	93.6	Very high	92.2	Very high	88 Å²	88	63.7 Å²	63.7	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-69.5	-41.3	176.7	-177.1	56.2	-149.8	0	0	111.6	R118 K119 F120 K124 K125 Q126	R118-E122 PolarHBondContact O-N 3.27Å; K119-E122 PolarHBondContact O-N 3.18Å; F120-E122 PolarHBondContact O-N 3.46Å; E122-K124 PolarHBondContact O-N 2.99Å; E122-K125 PolarHBondContact O-N 3.34Å; E122-Q126 WeakPolarHBondContact O-CG 3.35Å; E122-Q126 PolarHBondContact O-N 2.95Å; E122-Q126 PolarHBondContact OE1-NE2 3.49Å
123	A	93.8	Very high	92.5	Very high	14 Å²	14	67.3 Å²	67.3	12%	0.116	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-39.9	174.5	0	0	0	0	0	112.3	K119 F120 Q126 F127 Y173 Q176	K119-A123 WeakPolarHBondContact O-CB 3.2Å; K119-A123 PolarHBondContact O-N 3.07Å; F120-A123 PolarHBondContact O-N 3.16Å; A123-Q126 PolarHBondContact O-N 3.11Å; A123-F127 WeakPolarHBondContact O-CB 3.42Å; A123-F127 PolarHBondContact O-N 2.9Å; A123-Y173 HydrophobicContact CB-CD2 3.8Å; A123-Q176 HydrophobicContact CB-CB 4.32Å; A123-Q176 HydrophobicContact CB-CG 3.88Å
124	K	94.5	Very high	92.8	Very high	59 Å²	59	67.2 Å²	67.2	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-57.2	-52.6	171.6	174.3	172.6	176.8	161.7	0	110.9	E25 F120 E122 Q126 F127 D128 Y173	E25-K124 HydrophobicContact CG-CD 4.36Å; E25-K124 WeakPolarHBondContact OE1-CD 3.21Å; E25-K124 WeakPolarHBondContact OE1-CE 3.48Å; E25-K124 IonicContact OE1-NZ 2.76Å; E25-K124 PolarHBondContact OE1-NZ 3.37Å; E25-K124 IonicContact OE2-NZ 3.22Å; E25-K124 PolarHBondContact OE2-NZ 3.47Å; F120-K124 WeakPolarHBondContact O-CB 3.48Å; F120-K124 PolarHBondContact O-N 2.98Å; E122-K124 PolarHBondContact O-N 2.99Å; K124-Q126 PolarHBondContact O-N 3.12Å; K124-F127 CarbonylContact O-C 3.59Å; K124-F127 WeakPolarHBondContact O-CA 3.38Å; K124-F127 WeakPolarHBondContact O-CB 3.09Å; K124-F127 PolarHBondContact O-N 3.41Å; K124-D128 WeakPolarHBondContact CE-OD2 3.46Å; K124-D128 WeakPolarHBondContact CG-OD2 3.49Å; K124-D128 PolarHBondContact O-N 3.49Å; K124-Y173 HydrophobicContact CB-CD2 4.47Å; K124-Y173 HydrophobicContact CB-CE2 3.64Å
125	K	95.8	Very high	93.2	Very high	135 Å²	135	66.2 Å²	66.2	59%	0.587	31%	0.305	S	S	*	.	H	α-helix	trans	-56.7	-37.8	-179.6	-176.2	-170.1	178.3	-167.3	0	112.7	K121 E122 K129	K121-K125 WeakPolarHBondContact O-CB 3.46Å; K121-K125 PolarHBondContact O-N 2.96Å; E122-K125 PolarHBondContact O-N 3.34Å; K125-K129 WeakPolarHBondContact O-CB 3.38Å; K125-K129 PolarHBondContact O-N 3.44Å
126	Q	95	Very high	93.6	Very high	83 Å²	83	67 Å²	67	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-71.4	-40.9	175.6	-68	175.6	15.8	0	0	111.9	E122 A123 K124 V130 I169	E122-Q126 WeakPolarHBondContact O-CG 3.35Å; E122-Q126 PolarHBondContact O-N 2.95Å; E122-Q126 PolarHBondContact OE1-NE2 3.49Å; A123-Q126 PolarHBondContact O-N 3.11Å; K124-Q126 PolarHBondContact O-N 3.12Å; Q126-V130 WeakPolarHBondContact O-CG2 3.43Å; Q126-V130 PolarHBondContact O-N 2.87Å; Q126-I169 HydrophobicContact CB-CG2 4.09Å
127	F	96	Very high	94	Very high	4 Å²	4	66 Å²	66	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-49	174.1	168.2	-105.1	0	0	0	112.4	F17 I21 A123 K124 K129 V130 S131 F166 I169 V170 Y173	F17-F127 HydrophobicContact CE1-CZ 4.29Å; I21-F127 HydrophobicContact CG2-CE1 4.48Å; A123-F127 WeakPolarHBondContact O-CB 3.42Å; A123-F127 PolarHBondContact O-N 2.9Å; K124-F127 CarbonylContact O-C 3.59Å; K124-F127 WeakPolarHBondContact O-CA 3.38Å; K124-F127 WeakPolarHBondContact O-CB 3.09Å; K124-F127 PolarHBondContact O-N 3.41Å; F127-K129 PolarHBondContact O-N 2.87Å; F127-V130 PolarHBondContact O-N 2.87Å; F127-S131 WeakPolarHBondContact O-CB 3.15Å; F127-S131 PolarHBondContact O-N 2.82Å; F127-F166 HydrophobicContact CD2-CE2 4.31Å; F127-F166 AromaticContact CE2-CE2 3.76Å; F127-F166 HydrophobicContact CE2-CE2 3.76Å; F127-F166 AromaticContact CE2-CZ 3.94Å; F127-F166 HydrophobicContact CE2-CZ 3.94Å; F127-I169 HydrophobicContact CB-CG2 4.22Å; F127-V170 HydrophobicContact CD2-CB 4.15Å; F127-V170 HydrophobicContact CD2-CG2 3.99Å; F127-V170 HydrophobicContact CE2-CB 4.12Å; F127-V170 HydrophobicContact CE2-CG2 3.59Å; F127-Y173 HydrophobicContact CB-CD1 3.81Å; F127-Y173 HydrophobicContact CB-CE1 4.44Å; F127-Y173 HydrophobicContact CB-CG 3.96Å; F127-Y173 AromaticContact CD1-CD1 3.67Å; F127-Y173 HydrophobicContact CD1-CD1 3.67Å; F127-Y173 AromaticContact CD1-CE1 3.69Å; F127-Y173 HydrophobicContact CD1-CE1 3.69Å; F127-Y173 HydrophobicContact CD2-CD1 4.09Å; F127-Y173 HydrophobicContact CE1-CD1 4.22Å; F127-Y173 HydrophobicContact CE1-CE1 4.12Å; F127-Y173 AromaticContact CG-CD1 3.57Å; F127-Y173 HydrophobicContact CG-CD1 3.57Å; F127-Y173 HydrophobicContact CG-CE1 4.09Å; F127-Y173 HydrophobicContact CG-CG 4.22Å
128	D	95.8	Very high	94.4	Very high	69 Å²	69	68.4 Å²	68.4	37%	0.369	32%	0.318	S	S	.	.	H	α-helix	trans	-57.1	-50.1	178.7	-68.6	-23.3	0	0	0	110.7	K124 V130 S131 E132	K124-D128 WeakPolarHBondContact CE-OD2 3.46Å; K124-D128 WeakPolarHBondContact CG-OD2 3.49Å; K124-D128 PolarHBondContact O-N 3.49Å; D128-V130 PolarHBondContact O-N 3.23Å; D128-S131 WeakPolarHBondContact O-CB 3.26Å; D128-S131 PolarHBondContact O-N 2.72Å; D128-E132 PolarHBondContact O-N 3.15Å
129	K	96.3	Very high	94.8	Very high	124 Å²	124	64.7 Å²	64.7	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-57.2	-51.9	177.5	177.4	-179.6	168.2	-178.5	0	112.3	K125 F127 S131 E132 E133	K125-K129 WeakPolarHBondContact O-CB 3.38Å; K125-K129 PolarHBondContact O-N 3.44Å; F127-K129 PolarHBondContact O-N 2.87Å; K129-S131 VanDerWaalsContact C-N 3.27Å; K129-S131 PolarHBondContact O-N 2.99Å; K129-E132 PolarHBondContact O-N 3.02Å; K129-E133 WeakPolarHBondContact CE-OE1 3.36Å; K129-E133 IonicContact NZ-OE1 3.99Å; K129-E133 WeakPolarHBondContact O-CG 3.48Å; K129-E133 PolarHBondContact O-N 3.43Å
130	V	95.8	Very high	95	Very high	11 Å²	11	63.9 Å²	63.9	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-72.7	-24.3	-177.1	177.7	0	0	0	0	111.4	Q126 F127 D128 K134 C165 F166 I169	Q126-V130 WeakPolarHBondContact O-CG2 3.43Å; Q126-V130 PolarHBondContact O-N 2.87Å; F127-V130 PolarHBondContact O-N 2.87Å; D128-V130 PolarHBondContact O-N 3.23Å; V130-K134 VanDerWaalsContact O-CB 3.29Å; V130-K134 WeakPolarHBondContact O-CB 3.26Å; V130-K134 PolarHBondContact O-N 3.49Å; V130-C165 HydrophobicContact CG1-CB 4.16Å; V130-F166 HydrophobicContact CG1-CB 3.92Å; V130-F166 HydrophobicContact CG1-CD2 4.46Å; V130-I169 HydrophobicContact CG2-CG1 4.28Å
131	S	95.3	Very high	95.2	Very high	19 Å²	19	65.8 Å²	65.8	13%	0.133	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-46	169	-174.4	0	0	0	0	111.5	R18 F127 D128 K129 K134 E135	R18-S131 PolarHBondContact NH1-OG 3.3Å; R18-S131 PolarHBondContact NH2-OG 3.34Å; F127-S131 WeakPolarHBondContact O-CB 3.15Å; F127-S131 PolarHBondContact O-N 2.82Å; D128-S131 WeakPolarHBondContact O-CB 3.26Å; D128-S131 PolarHBondContact O-N 2.72Å; K129-S131 VanDerWaalsContact C-N 3.27Å; K129-S131 PolarHBondContact O-N 2.99Å; S131-K134 PolarHBondContact O-N 3.22Å; S131-E135 PolarHBondContact O-N 2.94Å
132	E	96.1	Very high	95.3	Very high	128 Å²	128	65.5 Å²	65.5	60%	0.598	33%	0.33	S	S	*	.	H	α-helix	trans	-65	-46.1	176.4	-168.4	-169.4	162.9	0	0	111.6	D128 K129 K134 E135 N136	D128-E132 PolarHBondContact O-N 3.15Å; K129-E132 PolarHBondContact O-N 3.02Å; E132-K134 PolarHBondContact O-N 3.42Å; E132-E135 PolarHBondContact O-N 3.36Å; E132-E135 VanDerWaalsContact O-N 3.16Å; E132-N136 PolarHBondContact O-N 3.1Å; E132-N136 PolarHBondContact O-ND2 3.48Å
133	E	95.8	Very high	95.4	Very high	80 Å²	80	68.3 Å²	68.3	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-57.3	-38.2	174.7	-72.6	175.7	172.3	0	0	111.9	K129 A137 T162	K129-E133 WeakPolarHBondContact CE-OE1 3.36Å; K129-E133 IonicContact NZ-OE1 3.99Å; K129-E133 WeakPolarHBondContact O-CG 3.48Å; K129-E133 PolarHBondContact O-N 3.43Å; E133-A137 WeakPolarHBondContact O-CB 3.31Å; E133-A137 PolarHBondContact O-N 2.84Å; E133-T162 HydrophobicContact CB-CG2 3.89Å
134	K	95.3	Very high	95.4	Very high	14 Å²	14	68.6 Å²	68.6	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-68.4	-41.9	177	-173.9	-169.4	69.1	-175.1	0	111.8	D13 V130 S131 E132 A137 L138 T162 R163 F166	D13-K134 IonicContact OD2-NZ 2.93Å; D13-K134 PolarHBondContact OD2-NZ 2.73Å; V130-K134 VanDerWaalsContact O-CB 3.29Å; V130-K134 WeakPolarHBondContact O-CB 3.26Å; V130-K134 PolarHBondContact O-N 3.49Å; S131-K134 PolarHBondContact O-N 3.22Å; E132-K134 PolarHBondContact O-N 3.42Å; K134-A137 PolarHBondContact O-N 2.84Å; K134-L138 HydrophobicContact CG-CD1 4.33Å; K134-L138 WeakPolarHBondContact O-CG 3.46Å; K134-L138 PolarHBondContact O-N 3.28Å; K134-T162 HydrophobicContact CB-CG2 3.96Å; K134-R163 HydrophobicContact CG-CG 4.46Å; K134-F166 HydrophobicContact CD-CB 4Å; K134-F166 HydrophobicContact CD-CD1 4.04Å; K134-F166 HydrophobicContact CD-CD2 3.96Å; K134-F166 HydrophobicContact CD-CE2 4.49Å; K134-F166 HydrophobicContact CD-CG 3.72Å; K134-F166 VanDerWaalsContact NZ-CE1 3.28Å
135	E	95.6	Very high	95.2	Very high	101 Å²	101	68.1 Å²	68.1	47%	0.472	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-45.6	178	-166.3	58.1	-152.6	0	0	111	S131 E132 A137 L138 I139	S131-E135 PolarHBondContact O-N 2.94Å; E132-E135 PolarHBondContact O-N 3.36Å; E132-E135 VanDerWaalsContact O-N 3.16Å; E135-A137 VanDerWaalsContact C-N 3.3Å; E135-A137 PolarHBondContact O-N 2.79Å; E135-L138 WeakPolarHBondContact O-CB 3.47Å; E135-L138 PolarHBondContact O-N 2.92Å; E135-L138 VanDerWaalsContact O-N 3.1Å; E135-I139 HydrophobicContact CG-CD1 4.3Å; E135-I139 WeakPolarHBondContact O-CG1 3.35Å; E135-I139 PolarHBondContact O-N 3.21Å
136	N	96	Very high	95	Very high	90 Å²	90	73.1 Å²	73.1	48%	0.481	36%	0.364	S	S	.	.	H	α-helix	trans	-58.7	-39.6	173.3	-72.8	-38.4	0	0	0	112.3	E132 I139 K140	E132-N136 PolarHBondContact O-N 3.1Å; E132-N136 PolarHBondContact O-ND2 3.48Å; N136-I139 PolarHBondContact O-N 2.83Å; N136-K140 WeakPolarHBondContact O-CB 3.46Å; N136-K140 PolarHBondContact O-N 2.71Å
137	A	95.8	Very high	94.8	Very high	7 Å²	7	75.9 Å²	75.9	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-69.2	-34.6	175	0	0	0	0	0	113.3	E133 K134 E135 N141 I158 L159	E133-A137 WeakPolarHBondContact O-CB 3.31Å; E133-A137 PolarHBondContact O-N 2.84Å; K134-A137 PolarHBondContact O-N 2.84Å; E135-A137 VanDerWaalsContact C-N 3.3Å; E135-A137 PolarHBondContact O-N 2.79Å; A137-N141 VanDerWaalsContact O-CB 3.29Å; A137-N141 WeakPolarHBondContact O-CB 3.35Å; A137-N141 PolarHBondContact O-N 3.41Å; A137-I158 HydrophobicContact CB-CG2 4.13Å; A137-L159 HydrophobicContact CB-CB 4.46Å; A137-L159 HydrophobicContact CB-CD1 4.15Å
138	L	95.6	Very high	94.6	Very high	51 Å²	51	80.4 Å²	80.4	27%	0.267	40%	0.401	S	S	.	.	H	α-helix	trans	-64	-46.9	173.1	-75.3	164.8	0	0	0	110.7	K134 E135 N141 A142 L159	K134-L138 HydrophobicContact CG-CD1 4.33Å; K134-L138 WeakPolarHBondContact O-CG 3.46Å; K134-L138 PolarHBondContact O-N 3.28Å; E135-L138 WeakPolarHBondContact O-CB 3.47Å; E135-L138 PolarHBondContact O-N 2.92Å; E135-L138 VanDerWaalsContact O-N 3.1Å; L138-N141 PolarHBondContact O-N 3.47Å; L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3.05Å; L138-L159 HydrophobicContact CD2-CD1 3.61Å; L138-L159 HydrophobicContact CD2-CD2 4.08Å; L138-L159 HydrophobicContact CG-CD1 3.77Å
139	I	96.1	Very high	94.3	Very high	70 Å²	70	82.7 Å²	82.7	36%	0.359	41%	0.409	S	S	.	.	H	α-helix	trans	-62.1	-49	177.6	-65	166.4	0	0	0	110.6	E135 N136 N141 A142 Q143	E135-I139 HydrophobicContact CG-CD1 4.3Å; E135-I139 WeakPolarHBondContact O-CG1 3.35Å; E135-I139 PolarHBondContact O-N 3.21Å; N136-I139 PolarHBondContact O-N 2.83Å; I139-N141 VanDerWaalsContact C-N 3.29Å; I139-N141 PolarHBondContact O-N 3.23Å; I139-A142 PolarHBondContact O-N 3.23Å; I139-Q143 HydrophobicContact CG2-CG 4.37Å; I139-Q143 WeakPolarHBondContact O-CB 3.38Å; I139-Q143 WeakPolarHBondContact O-CG 3.3Å; I139-Q143 PolarHBondContact O-N 2.91Å
140	K	94.3	Very high	94	Very high	94 Å²	94	83.5 Å²	83.5	41%	0.409	42%	0.415	S	S	.	.	H	α-helix	trans	-58.6	-39	177.2	-175.7	178.3	174.6	-177	0	112.1	N136 A144 E154 A155	N136-K140 WeakPolarHBondContact O-CB 3.46Å; N136-K140 PolarHBondContact O-N 2.71Å; K140-A144 PolarHBondContact O-N 3.08Å; K140-E154 IonicContact NZ-OE1 2.72Å; K140-E154 PolarHBondContact NZ-OE1 3.01Å; K140-A155 HydrophobicContact CG-CB 4.23Å
141	N	95.3	Very high	93.8	Very high	46 Å²	46	86.5 Å²	86.5	25%	0.246	43%	0.428	C	S	.	.	H	α-helix	trans	-71.6	-40.6	177.4	-173.9	-112	0	0	0	112.7	A137 L138 I139 Q143 A144 A155 T156 L159	A137-N141 VanDerWaalsContact O-CB 3.29Å; A137-N141 WeakPolarHBondContact O-CB 3.35Å; A137-N141 PolarHBondContact O-N 3.41Å; L138-N141 PolarHBondContact O-N 3.47Å; I139-N141 VanDerWaalsContact C-N 3.29Å; I139-N141 PolarHBondContact O-N 3.23Å; N141-Q143 VanDerWaalsContact C-N 3.35Å; N141-Q143 PolarHBondContact O-N 2.96Å; N141-A144 WeakPolarHBondContact O-CB 2.87Å; N141-A144 PolarHBondContact O-N 3.12Å; N141-A155 HydrophobicContact CB-CB 4.33Å; N141-T156 WeakPolarHBondContact ND2-CA 3.38Å; N141-T156 PolarHBondContact ND2-N 3.42Å; N141-T156 PolarHBondContact ND2-OG1 3.48Å; N141-L159 HydrophobicContact CB-CB 4.32Å; N141-L159 HydrophobicContact CB-CD2 3.77Å; N141-L159 WeakPolarHBondContact OD1-CD2 3.33Å
142	A	94.1	Very high	93.6	Very high	88 Å²	88	87.4 Å²	87.4	73%	0.727	43%	0.433	S	S	*	.	H	α-helix	trans	-68.4	-31.8	178.7	0	0	0	0	0	113.3	L138 I139	L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3.05Å; I139-A142 PolarHBondContact O-N 3.23Å
143	Q	94.6	Very high	93.4	Very high	148 Å²	148	86 Å²	86	69%	0.692	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.9	179	-66.9	178.7	-5.3	0	0	113.9	I139 N141	I139-Q143 HydrophobicContact CG2-CG 4.37Å; I139-Q143 WeakPolarHBondContact O-CB 3.38Å; I139-Q143 WeakPolarHBondContact O-CG 3.3Å; I139-Q143 PolarHBondContact O-N 2.91Å; N141-Q143 VanDerWaalsContact C-N 3.35Å; N141-Q143 PolarHBondContact O-N 2.96Å
144	A	93.5	Very high	93.3	Very high	19 Å²	19	86 Å²	86	16%	0.157	43%	0.426	C	S	.	.			trans	-62.6	124.2	-177.2	0	0	0	0	0	111.5	K140 N141 R146 V152 A155	K140-A144 PolarHBondContact O-N 3.08Å; N141-A144 WeakPolarHBondContact O-CB 2.87Å; N141-A144 PolarHBondContact O-N 3.12Å; A144-R146 PolarHBondContact O-N 2.87Å; A144-V152 HydrophobicContact CB-CG2 3.96Å; A144-A155 HydrophobicContact CB-CB 4.32Å
145	P	91.4	Very high	93.2	Very high	50 Å²	50	85.5 Å²	85.5	33%	0.325	42%	0.424	S	S	.	.			trans	-75.3	122.7	-171.6	30.5	-35.7	0	0	0	111.3	N147 K148	P145-N147 PolarHBondContact O-N 3.48Å; P145-K148 HydrophobicContact CG-CB 4.3Å; P145-K148 HydrophobicContact CG-CD 3.97Å; P145-K148 HydrophobicContact CG-CG 4.27Å; P145-K148 PolarHBondContact O-N 2.94Å
146	R	90.6	Very high	93.2	Very high	240 Å²	240	83.3 Å²	83.3	91%	0.906	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19	-172.8	-65.1	-176.6	-179.4	178.2	0.1	115.6	A144 K148	A144-R146 PolarHBondContact O-N 2.87Å; R146-K148 VanDerWaalsContact C-N 3.34Å
147	N	91.1	Very high	93.1	Very high	141 Å²	141	84.3 Å²	84.3	75%	0.754	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.2	177.9	62.5	-13.9	0	0	0	113.7	P145	P145-N147 PolarHBondContact O-N 3.48Å
148	K	92.6	Very high	93	Very high	98 Å²	98	86.9 Å²	86.9	43%	0.426	44%	0.436	S	S	.	.			trans	-119.5	81.5	178.5	-63.1	-173.9	-173.7	175	0	111.3	P145 R146 H150 E151 V152	P145-K148 HydrophobicContact CG-CB 4.3Å; P145-K148 HydrophobicContact CG-CD 3.97Å; P145-K148 HydrophobicContact CG-CG 4.27Å; P145-K148 PolarHBondContact O-N 2.94Å; R146-K148 VanDerWaalsContact C-N 3.34Å; K148-H150 VanDerWaalsContact C-N 3.27Å; K148-H150 PolarHBondContact O-N 2.96Å; K148-H150 VanDerWaalsContact O-N 3.15Å; K148-E151 HydrophobicContact CB-CB 4.21Å; K148-E151 HydrophobicContact CB-CG 4.34Å; K148-E151 HydrophobicContact CD-CG 4.17Å; K148-E151 WeakPolarHBondContact CD-OE1 3.1Å; K148-E151 WeakPolarHBondContact CD-OE2 3.23Å; K148-E151 WeakPolarHBondContact CE-OE1 3.37Å; K148-E151 IonicContact NZ-OE1 3.33Å; K148-E151 PolarHBondContact NZ-OE1 3.2Å; K148-E151 IonicContact NZ-OE2 3.48Å; K148-E151 PolarHBondContact NZ-OE2 2.93Å; K148-E151 PolarHBondContact O-N 3.3Å; K148-V152 PolarHBondContact O-N 3.15Å
149	Q	89.4	Confident	93	Very high	117 Å²	117	84.7 Å²	84.7	55%	0.547	42%	0.424	S	S	.	.	H	α-helix	trans	-51.3	-41.5	-174.8	-172.9	61.4	22.4	0	0	113.9	E151 V152 E153	Q149-E151 PolarHBondContact O-N 2.6Å; Q149-V152 PolarHBondContact O-N 3.15Å; Q149-E153 VanDerWaalsContact CG-OE1 3.31Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.49Å; Q149-E153 PolarHBondContact NE2-OE1 2.95Å; Q149-E153 WeakPolarHBondContact O-CG 3.18Å; Q149-E153 PolarHBondContact O-N 3.46Å
150	H	89.5	Confident	93	Very high	141 Å²	141	85.5 Å²	85.5	65%	0.653	43%	0.433	S	S	*	.	H	α-helix	trans	-61.6	-41	177.6	-178.5	-78.3	0	0	0	113.5	K148 V152 E153 E154	K148-H150 VanDerWaalsContact C-N 3.27Å; K148-H150 PolarHBondContact O-N 2.96Å; K148-H150 VanDerWaalsContact O-N 3.15Å; H150-V152 VanDerWaalsContact C-N 3.34Å; H150-E153 PolarHBondContact O-N 2.45Å; H150-E154 WeakPolarHBondContact O-CB 3.19Å; H150-E154 PolarHBondContact O-N 3.02Å
151	E	91	Very high	93	Very high	75 Å²	75	84 Å²	84	35%	0.35	44%	0.437	S	S	.	.	H	α-helix	trans	-69.9	-33.7	178.3	-70.2	179.7	-162.5	0	0	111.3	K148 Q149 A155	K148-E151 HydrophobicContact CB-CB 4.21Å; K148-E151 HydrophobicContact CB-CG 4.34Å; K148-E151 HydrophobicContact CD-CG 4.17Å; K148-E151 WeakPolarHBondContact CD-OE1 3.1Å; K148-E151 WeakPolarHBondContact CD-OE2 3.23Å; K148-E151 WeakPolarHBondContact CE-OE1 3.37Å; K148-E151 IonicContact NZ-OE1 3.33Å; K148-E151 PolarHBondContact NZ-OE1 3.2Å; K148-E151 IonicContact NZ-OE2 3.48Å; K148-E151 PolarHBondContact NZ-OE2 2.93Å; K148-E151 PolarHBondContact O-N 3.3Å; Q149-E151 PolarHBondContact O-N 2.6Å; E151-A155 WeakPolarHBondContact O-CB 3.28Å; E151-A155 PolarHBondContact O-N 2.75Å
152	V	92.1	Very high	93	Very high	38 Å²	38	82.8 Å²	82.8	23%	0.23	43%	0.432	C	S	.	.	H	α-helix	trans	-66.7	-43.2	173.7	177.4	0	0	0	0	111.1	A144 K148 Q149 H150 T156	A144-V152 HydrophobicContact CB-CG2 3.96Å; K148-V152 PolarHBondContact O-N 3.15Å; Q149-V152 PolarHBondContact O-N 3.15Å; H150-V152 VanDerWaalsContact C-N 3.34Å; V152-T156 VanDerWaalsContact O-CB 3.29Å; V152-T156 WeakPolarHBondContact O-CB 3.33Å; V152-T156 PolarHBondContact O-N 3.35Å; V152-T156 PolarHBondContact O-OG1 3.2Å
153	E	92.7	Very high	93	Very high	98 Å²	98	84.5 Å²	84.5	46%	0.458	42%	0.419	S	S	.	.	H	α-helix	trans	-66.3	-44.6	177.6	-75	170.2	-168.5	0	0	111.9	Q149 H150 T156 N157	Q149-E153 VanDerWaalsContact CG-OE1 3.31Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.49Å; Q149-E153 PolarHBondContact NE2-OE1 2.95Å; Q149-E153 WeakPolarHBondContact O-CG 3.18Å; Q149-E153 PolarHBondContact O-N 3.46Å; H150-E153 PolarHBondContact O-N 2.45Å; E153-T156 PolarHBondContact O-N 3.03Å; E153-N157 WeakPolarHBondContact O-CB 3.17Å; E153-N157 VanDerWaalsContact O-CG 3.27Å; E153-N157 PolarHBondContact O-N 3.27Å; E153-N157 PolarHBondContact O-ND2 3.17Å
154	E	92.8	Very high	93	Very high	81 Å²	81	84.1 Å²	84.1	38%	0.379	42%	0.415	S	S	.	.	H	α-helix	trans	-57.5	-51.1	173.8	-169.9	-154.5	120.4	0	0	111.5	K140 H150 T156 N157 I158	K140-E154 IonicContact NZ-OE1 2.72Å; K140-E154 PolarHBondContact NZ-OE1 3.01Å; H150-E154 WeakPolarHBondContact O-CB 3.19Å; H150-E154 PolarHBondContact O-N 3.02Å; E154-T156 VanDerWaalsContact C-N 3.29Å; E154-T156 PolarHBondContact O-N 3.13Å; E154-N157 PolarHBondContact O-N 3.23Å; E154-I158 HydrophobicContact CG-CD1 4.04Å; E154-I158 WeakPolarHBondContact O-CG1 3.19Å; E154-I158 PolarHBondContact O-N 2.84Å
155	A	93.6	Very high	93	Very high	2 Å²	2	85.8 Å²	85.8	2%	0.017	43%	0.425	C	S	.	.	H	α-helix	trans	-64	-33.7	179.9	0	0	0	0	0	112.6	K140 N141 A144 E151 L159	K140-A155 HydrophobicContact CG-CB 4.23Å; N141-A155 HydrophobicContact CB-CB 4.33Å; A144-A155 HydrophobicContact CB-CB 4.32Å; E151-A155 WeakPolarHBondContact O-CB 3.28Å; E151-A155 PolarHBondContact O-N 2.75Å; A155-L159 WeakPolarHBondContact O-CB 3.09Å; A155-L159 PolarHBondContact O-N 3.41Å
156	T	94.6	Very high	93.2	Very high	56 Å²	56	83.7 Å²	83.7	34%	0.344	41%	0.411	S	S	.	.	H	α-helix	trans	-71.4	-38.6	176.8	-58.6	0	0	0	0	111.8	N141 V152 E153 E154 L159 T160	N141-T156 WeakPolarHBondContact ND2-CA 3.38Å; N141-T156 PolarHBondContact ND2-N 3.42Å; N141-T156 PolarHBondContact ND2-OG1 3.48Å; V152-T156 VanDerWaalsContact O-CB 3.29Å; V152-T156 WeakPolarHBondContact O-CB 3.33Å; V152-T156 PolarHBondContact O-N 3.35Å; V152-T156 PolarHBondContact O-OG1 3.2Å; E153-T156 PolarHBondContact O-N 3.03Å; E154-T156 VanDerWaalsContact C-N 3.29Å; E154-T156 PolarHBondContact O-N 3.13Å; T156-L159 PolarHBondContact O-N 3.4Å; T156-T160 WeakPolarHBondContact O-CB 3.26Å; T156-T160 PolarHBondContact O-N 3Å; T156-T160 PolarHBondContact O-OG1 2.86Å
157	N	94.8	Very high	93.3	Very high	110 Å²	110	79.2 Å²	79.2	59%	0.588	39%	0.394	S	S	*	.	H	α-helix	trans	-65.6	-45.2	174.9	-73.6	-29.7	0	0	0	111.5	E153 E154 T160 A161	E153-N157 WeakPolarHBondContact O-CB 3.17Å; E153-N157 VanDerWaalsContact O-CG 3.27Å; E153-N157 PolarHBondContact O-N 3.27Å; E153-N157 PolarHBondContact O-ND2 3.17Å; E154-N157 PolarHBondContact O-N 3.23Å; N157-T160 PolarHBondContact O-N 2.75Å; N157-A161 PolarHBondContact O-N 2.86Å
158	I	94.4	Very high	93.5	Very high	62 Å²	62	77.6 Å²	77.6	32%	0.318	38%	0.382	S	S	.	.	H	α-helix	trans	-58.7	-51.3	174.2	-67.3	166.2	0	0	0	110.2	A137 E154 T160 A161 T162	A137-I158 HydrophobicContact CB-CG2 4.13Å; E154-I158 HydrophobicContact CG-CD1 4.04Å; E154-I158 WeakPolarHBondContact O-CG1 3.19Å; E154-I158 PolarHBondContact O-N 2.84Å; I158-T160 VanDerWaalsContact C-N 3.28Å; I158-T160 PolarHBondContact O-N 3.08Å; I158-A161 PolarHBondContact O-N 3.27Å; I158-T162 PolarHBondContact O-N 3.43Å; I158-T162 PolarHBondContact O-OG1 2.92Å; I158-T162 VanDerWaalsContact O-OG1 3.07Å
159	L	95.4	Very high	93.6	Very high	5 Å²	5	74.5 Å²	74.5	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-58.9	-38.9	178.7	176.8	60	0	0	0	112.7	A137 L138 N141 A155 T156 R163	A137-L159 HydrophobicContact CB-CB 4.46Å; A137-L159 HydrophobicContact CB-CD1 4.15Å; L138-L159 HydrophobicContact CD2-CD1 3.61Å; L138-L159 HydrophobicContact CD2-CD2 4.08Å; L138-L159 HydrophobicContact CG-CD1 3.77Å; N141-L159 HydrophobicContact CB-CB 4.32Å; N141-L159 HydrophobicContact CB-CD2 3.77Å; N141-L159 WeakPolarHBondContact OD1-CD2 3.33Å; A155-L159 WeakPolarHBondContact O-CB 3.09Å; A155-L159 PolarHBondContact O-N 3.41Å; T156-L159 PolarHBondContact O-N 3.4Å; L159-R163 HydrophobicContact CD1-CG 3.95Å; L159-R163 HydrophobicContact CG-CG 4.42Å; L159-R163 VanDerWaalsContact O-CB 3.25Å; L159-R163 WeakPolarHBondContact O-CB 3.2Å; L159-R163 VanDerWaalsContact O-CG 3.24Å; L159-R163 WeakPolarHBondContact O-CG 3.44Å; L159-R163 PolarHBondContact O-N 3.22Å
160	T	94.9	Very high	93.9	Very high	87 Å²	87	68.9 Å²	68.9	53%	0.534	34%	0.343	S	S	.	.	H	α-helix	trans	-67.4	-42.7	178.4	-59.2	0	0	0	0	111.5	T156 N157 I158 K164	T156-T160 WeakPolarHBondContact O-CB 3.26Å; T156-T160 PolarHBondContact O-N 3Å; T156-T160 PolarHBondContact O-OG1 2.86Å; N157-T160 PolarHBondContact O-N 2.75Å; I158-T160 VanDerWaalsContact C-N 3.28Å; I158-T160 PolarHBondContact O-N 3.08Å; T160-K164 PolarHBondContact O-N 3.02Å; T160-K164 VanDerWaalsContact O-N 3.1Å
161	A	94.5	Very high	94.1	Very high	61 Å²	61	65 Å²	65	50%	0.504	33%	0.327	S	S	.	.	H	α-helix	trans	-62.9	-49.7	175.2	0	0	0	0	0	111.8	N157 I158 R163 K164 C165	N157-A161 PolarHBondContact O-N 2.86Å; I158-A161 PolarHBondContact O-N 3.27Å; A161-R163 PolarHBondContact O-N 2.91Å; A161-K164 WeakPolarHBondContact O-CB 3.35Å; A161-K164 PolarHBondContact O-N 3.42Å; A161-K164 VanDerWaalsContact O-N 3.13Å; A161-C165 PolarHBondContact O-N 3.01Å
162	T	94.7	Very high	94.2	Very high	21 Å²	21	65.6 Å²	65.6	13%	0.129	33%	0.332	C	S	.	.	H	α-helix	trans	-67.9	-36.3	-178.9	-46.3	0	0	0	0	112.3	E133 K134 I158 K164 C165 F166	E133-T162 HydrophobicContact CB-CG2 3.89Å; K134-T162 HydrophobicContact CB-CG2 3.96Å; I158-T162 PolarHBondContact O-N 3.43Å; I158-T162 PolarHBondContact O-OG1 2.92Å; I158-T162 VanDerWaalsContact O-OG1 3.07Å; T162-K164 VanDerWaalsContact C-N 3.32Å; T162-K164 PolarHBondContact O-N 2.93Å; T162-C165 PolarHBondContact O-N 3.18Å; T162-F166 WeakPolarHBondContact O-CB 3.31Å; T162-F166 PolarHBondContact O-N 3.46Å
163	R	94.9	Very high	94.3	Very high	124 Å²	124	63.8 Å²	63.8	47%	0.468	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-38.3	170.5	-80.2	175.4	173.3	178.6	-0.1	112.4	K134 L159 A161 R167	K134-R163 HydrophobicContact CG-CG 4.46Å; L159-R163 HydrophobicContact CD1-CG 3.95Å; L159-R163 HydrophobicContact CG-CG 4.42Å; L159-R163 VanDerWaalsContact O-CB 3.25Å; L159-R163 WeakPolarHBondContact O-CB 3.2Å; L159-R163 VanDerWaalsContact O-CG 3.24Å; L159-R163 WeakPolarHBondContact O-CG 3.44Å; L159-R163 PolarHBondContact O-N 3.22Å; A161-R163 PolarHBondContact O-N 2.91Å; R163-R167 WeakPolarHBondContact O-CG 3.46Å; R163-R167 PolarHBondContact O-N 3.43Å; R163-R167 VanDerWaalsContact O-N 3.16Å
164	K	94.1	Very high	94.4	Very high	141 Å²	141	59.1 Å²	59.1	61%	0.613	30%	0.3	S	S	*	.	H	α-helix	trans	-67	-44.7	175.3	-170.5	-178.9	178.7	-175.2	0	111	T160 A161 T162 R167 H168	T160-K164 PolarHBondContact O-N 3.02Å; T160-K164 VanDerWaalsContact O-N 3.1Å; A161-K164 WeakPolarHBondContact O-CB 3.35Å; A161-K164 PolarHBondContact O-N 3.42Å; A161-K164 VanDerWaalsContact O-N 3.13Å; T162-K164 VanDerWaalsContact C-N 3.32Å; T162-K164 PolarHBondContact O-N 2.93Å; K164-R167 PolarHBondContact O-N 3.42Å; K164-H168 PolarHBondContact O-CD2 3.11Å; K164-H168 PolarHBondContact O-N 3.38Å
165	C	94.4	Very high	94.3	Very high	53 Å²	53	58.9 Å²	58.9	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-58.7	-50.7	175.5	-170.8	0	0	0	0	111.7	V130 A161 T162 R167 H168 I169	V130-C165 HydrophobicContact CG1-CB 4.16Å; A161-C165 PolarHBondContact O-N 3.01Å; T162-C165 PolarHBondContact O-N 3.18Å; C165-R167 VanDerWaalsContact C-N 3.3Å; C165-R167 PolarHBondContact O-N 2.88Å; C165-H168 PolarHBondContact O-N 3.13Å; C165-I169 PolarHBondContact O-N 3.01Å
166	F	95.6	Very high	94.2	Very high	7 Å²	7	61.6 Å²	61.6	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-53.4	-44.9	177.2	179.5	-92.1	0	0	0	112.3	D13 F127 V130 K134 T162 H168 I169 V170	D13-F166 HydrophobicContact CB-CE1 4.13Å; D13-F166 HydrophobicContact CB-CZ 4.24Å; F127-F166 HydrophobicContact CD2-CE2 4.31Å; F127-F166 AromaticContact CE2-CE2 3.76Å; F127-F166 HydrophobicContact CE2-CE2 3.76Å; F127-F166 AromaticContact CE2-CZ 3.94Å; F127-F166 HydrophobicContact CE2-CZ 3.94Å; V130-F166 HydrophobicContact CG1-CB 3.92Å; V130-F166 HydrophobicContact CG1-CD2 4.46Å; K134-F166 HydrophobicContact CD-CB 4Å; K134-F166 HydrophobicContact CD-CD1 4.04Å; K134-F166 HydrophobicContact CD-CD2 3.96Å; K134-F166 HydrophobicContact CD-CE2 4.49Å; K134-F166 HydrophobicContact CD-CG 3.72Å; K134-F166 VanDerWaalsContact NZ-CE1 3.28Å; T162-F166 WeakPolarHBondContact O-CB 3.31Å; T162-F166 PolarHBondContact O-N 3.46Å; F166-H168 VanDerWaalsContact C-N 3.31Å; F166-H168 PolarHBondContact O-N 3.26Å; F166-I169 PolarHBondContact O-N 3.43Å; F166-V170 HydrophobicContact CD1-CG1 4.35Å; F166-V170 HydrophobicContact CE1-CB 4.25Å; F166-V170 HydrophobicContact CE1-CG1 4.13Å; F166-V170 HydrophobicContact CZ-CB 4.33Å; F166-V170 HydrophobicContact CZ-CG2 4.36Å; F166-V170 WeakPolarHBondContact O-CB 3.09Å; F166-V170 VanDerWaalsContact O-CG1 3.25Å; F166-V170 WeakPolarHBondContact O-CG1 3.19Å; F166-V170 PolarHBondContact O-N 3.3Å
167	R	93.4	Very high	94	Very high	146 Å²	146	59 Å²	59	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-61.5	-34.8	178.7	-76.8	177.9	173.8	-179.4	-1.6	113.6	L11 R163 K164 C165 L171	L11-R167 HydrophobicContact CD2-CB 4.12Å; L11-R167 HydrophobicContact CD2-CG 3.9Å; R163-R167 WeakPolarHBondContact O-CG 3.46Å; R163-R167 PolarHBondContact O-N 3.43Å; R163-R167 VanDerWaalsContact O-N 3.16Å; K164-R167 PolarHBondContact O-N 3.42Å; C165-R167 VanDerWaalsContact C-N 3.3Å; C165-R167 PolarHBondContact O-N 2.88Å; R167-L171 VanDerWaalsContact O-CD1 3.29Å; R167-L171 WeakPolarHBondContact O-CD1 3.31Å; R167-L171 WeakPolarHBondContact O-CG 3.22Å
168	H	93.4	Very high	93.8	Very high	107 Å²	107	54.2 Å²	54.2	50%	0.495	27%	0.271	S	S	.	.	H	α-helix	trans	-73.2	-51.5	175.3	-70.2	-67	0	0	0	111	K164 C165 F166 V170 L171 D172	K164-H168 PolarHBondContact O-CD2 3.11Å; K164-H168 PolarHBondContact O-N 3.38Å; C165-H168 PolarHBondContact O-N 3.13Å; F166-H168 VanDerWaalsContact C-N 3.31Å; F166-H168 PolarHBondContact O-N 3.26Å; H168-V170 PolarHBondContact O-N 2.74Å; H168-L171 PolarHBondContact O-N 2.78Å; H168-D172 PolarHBondContact O-N 3.33Å; H168-D172 VanDerWaalsContact O-N 3.11Å
169	I	95.7	Very high	93.6	Very high	32 Å²	32	53.7 Å²	53.7	16%	0.164	27%	0.271	C	S	.	.	H	α-helix	trans	-64.7	-36.6	-176.1	-59.8	-59.5	0	0	0	112.6	Q126 F127 V130 C165 F166 D172 Y173	Q126-I169 HydrophobicContact CB-CG2 4.09Å; F127-I169 HydrophobicContact CB-CG2 4.22Å; V130-I169 HydrophobicContact CG2-CG1 4.28Å; C165-I169 PolarHBondContact O-N 3.01Å; F166-I169 PolarHBondContact O-N 3.43Å; I169-D172 PolarHBondContact O-N 3Å; I169-Y173 WeakPolarHBondContact O-CB 3.28Å; I169-Y173 PolarHBondContact O-N 3.09Å
170	V	94.9	Very high	93.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.8	-36.3	177.2	75.1	0	0	0	0	112.2	C10 F17 F127 F166 H168 Y173 V174	C10-V170 HydrophobicContact CB-CG1 4.41Å; C10-V170 HydrophobicContact CB-CG2 3.84Å; F17-V170 HydrophobicContact CE1-CG2 3.92Å; F17-V170 HydrophobicContact CZ-CG2 3.54Å; F127-V170 HydrophobicContact CD2-CB 4.15Å; F127-V170 HydrophobicContact CD2-CG2 3.99Å; F127-V170 HydrophobicContact CE2-CB 4.12Å; F127-V170 HydrophobicContact CE2-CG2 3.59Å; F166-V170 HydrophobicContact CD1-CG1 4.35Å; F166-V170 HydrophobicContact CE1-CB 4.25Å; F166-V170 HydrophobicContact CE1-CG1 4.13Å; F166-V170 HydrophobicContact CZ-CB 4.33Å; F166-V170 HydrophobicContact CZ-CG2 4.36Å; F166-V170 WeakPolarHBondContact O-CB 3.09Å; F166-V170 VanDerWaalsContact O-CG1 3.25Å; F166-V170 WeakPolarHBondContact O-CG1 3.19Å; F166-V170 PolarHBondContact O-N 3.3Å; H168-V170 PolarHBondContact O-N 2.74Å; V170-Y173 PolarHBondContact O-N 3.29Å; V170-V174 HydrophobicContact CG2-CG2 4.43Å; V170-V174 WeakPolarHBondContact O-CB 3.44Å; V170-V174 VanDerWaalsContact O-CG2 3.27Å; V170-V174 WeakPolarHBondContact O-CG2 3.32Å; V170-V174 PolarHBondContact O-N 2.98Å
171	L	94.3	Very high	92.9	Very high	58 Å²	58	50.8 Å²	50.8	30%	0.304	25%	0.252	S	S	.	.	H	α-helix	trans	-65.5	-43.8	174.8	-71.8	170.8	0	0	0	111	F7 L11 R167 H168 Y173 V174 L175	F7-L171 HydrophobicContact CB-CD2 4.36Å; F7-L171 HydrophobicContact CD1-CD2 3.77Å; L11-L171 HydrophobicContact CD2-CD1 4.32Å; L11-L171 HydrophobicContact CD2-CD2 4.32Å; L11-L171 HydrophobicContact CD2-CG 4.24Å; R167-L171 VanDerWaalsContact O-CD1 3.29Å; R167-L171 WeakPolarHBondContact O-CD1 3.31Å; R167-L171 WeakPolarHBondContact O-CG 3.22Å; H168-L171 PolarHBondContact O-N 2.78Å; L171-Y173 VanDerWaalsContact C-N 3.35Å; L171-Y173 PolarHBondContact O-N 3.29Å; L171-V174 PolarHBondContact O-N 3.25Å; L171-L175 WeakPolarHBondContact O-CB 3.25Å; L171-L175 PolarHBondContact O-N 2.81Å
172	D	93	Very high	92.5	Very high	88 Å²	88	50.4 Å²	50.4	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-40.6	175.8	-71.5	-32.6	0	0	0	111.7	H168 I169 L175 Q176	H168-D172 PolarHBondContact O-N 3.33Å; H168-D172 VanDerWaalsContact O-N 3.11Å; I169-D172 PolarHBondContact O-N 3Å; D172-L175 WeakPolarHBondContact O-CB 3.47Å; D172-L175 PolarHBondContact O-N 3.26Å; D172-Q176 WeakPolarHBondContact O-CG 3.42Å; D172-Q176 PolarHBondContact O-N 3.26Å
173	Y	94.7	Very high	92.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67	-45.2	177.7	-177	-131.4	0	0	0	112.6	I21 E25 F120 A123 K124 F127 I169 V170 L171 L175 Q176 I177	I21-Y173 HydrophobicContact CD1-CD1 4.48Å; I21-Y173 HydrophobicContact CD1-CE1 4.12Å; I21-Y173 HydrophobicContact CG2-CE1 3.92Å; E25-Y173 WeakPolarHBondContact CG-OH 3.47Å; E25-Y173 PolarHBondContact OE1-OH 3.37Å; F120-Y173 AromaticContact CD2-CE2 3.83Å; F120-Y173 HydrophobicContact CD2-CE2 3.83Å; F120-Y173 AromaticContact CE2-CE2 3.56Å; F120-Y173 HydrophobicContact CE2-CE2 3.56Å; F120-Y173 AromaticContact CE2-CZ 3.82Å; F120-Y173 VanDerWaalsContact CE2-OH 3.3Å; F120-Y173 WeakPolarHBondContact CE2-OH 3.17Å; F120-Y173 HydrophobicContact CZ-CE2 4.36Å; F120-Y173 WeakPolarHBondContact CZ-OH 3.29Å; A123-Y173 HydrophobicContact CB-CD2 3.8Å; K124-Y173 HydrophobicContact CB-CD2 4.47Å; K124-Y173 HydrophobicContact CB-CE2 3.64Å; F127-Y173 HydrophobicContact CB-CD1 3.81Å; F127-Y173 HydrophobicContact CB-CE1 4.44Å; F127-Y173 HydrophobicContact CB-CG 3.96Å; F127-Y173 AromaticContact CD1-CD1 3.67Å; F127-Y173 HydrophobicContact CD1-CD1 3.67Å; F127-Y173 AromaticContact CD1-CE1 3.69Å; F127-Y173 HydrophobicContact CD1-CE1 3.69Å; F127-Y173 HydrophobicContact CD2-CD1 4.09Å; F127-Y173 HydrophobicContact CE1-CD1 4.22Å; F127-Y173 HydrophobicContact CE1-CE1 4.12Å; F127-Y173 AromaticContact CG-CD1 3.57Å; F127-Y173 HydrophobicContact CG-CD1 3.57Å; F127-Y173 HydrophobicContact CG-CE1 4.09Å; F127-Y173 HydrophobicContact CG-CG 4.22Å; I169-Y173 WeakPolarHBondContact O-CB 3.28Å; I169-Y173 PolarHBondContact O-N 3.09Å; V170-Y173 PolarHBondContact O-N 3.29Å; L171-Y173 VanDerWaalsContact C-N 3.35Å; L171-Y173 PolarHBondContact O-N 3.29Å; Y173-L175 VanDerWaalsContact C-N 3.27Å; Y173-L175 PolarHBondContact O-N 2.9Å; Y173-Q176 PolarHBondContact O-N 3.45Å; Y173-Q176 VanDerWaalsContact O-N 3.16Å; Y173-I177 HydrophobicContact CD1-CD1 4.08Å; Y173-I177 HydrophobicContact CD2-CD1 4.4Å; Y173-I177 HydrophobicContact CE1-CD1 3.69Å; Y173-I177 HydrophobicContact CE2-CD1 4.05Å; Y173-I177 HydrophobicContact CE2-CG1 4.19Å; Y173-I177 HydrophobicContact CG-CD1 4.4Å; Y173-I177 PolarHBondContact O-N 3.34Å
174	V	93.6	Very high	91.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-33.6	174.1	171.1	0	0	0	0	111.7	V5 F7 C10 F17 V170 L171 N178	V5-V174 HydrophobicContact CB-CG1 4.15Å; V5-V174 HydrophobicContact CG1-CG1 4.05Å; V5-V174 HydrophobicContact CG1-CG2 3.9Å; V5-V174 WeakPolarHBondContact O-CG1 3.45Å; F7-V174 HydrophobicContact CD1-CB 4.24Å; F7-V174 HydrophobicContact CD1-CG1 3.69Å; F7-V174 HydrophobicContact CE1-CB 4.1Å; F7-V174 HydrophobicContact CE1-CG1 3.65Å; F7-V174 HydrophobicContact CG-CG1 4.21Å; F7-V174 HydrophobicContact CZ-CG1 4.13Å; C10-V174 HydrophobicContact CB-CG2 3.83Å; F17-V174 HydrophobicContact CE2-CG2 3.79Å; F17-V174 HydrophobicContact CZ-CG2 4.03Å; V170-V174 HydrophobicContact CG2-CG2 4.43Å; V170-V174 WeakPolarHBondContact O-CB 3.44Å; V170-V174 VanDerWaalsContact O-CG2 3.27Å; V170-V174 WeakPolarHBondContact O-CG2 3.32Å; V170-V174 PolarHBondContact O-N 2.98Å; L171-V174 PolarHBondContact O-N 3.25Å; V174-N178 WeakPolarHBondContact CG1-ND2 3.34Å; V174-N178 PolarHBondContact O-N 2.97Å; V174-N178 VanDerWaalsContact O-N 3.07Å; V174-N178 PolarHBondContact O-ND2 3.19Å
175	L	91.6	Very high	91.6	Very high	77 Å²	77	52.9 Å²	52.9	40%	0.403	25%	0.25	S	S	.	.	H	α-helix	trans	-64.3	-49.3	171	177.2	62.9	0	0	0	111.4	F7 L171 D172 Y173 I177 N178 V179	F7-L175 HydrophobicContact CE1-CB 4.29Å; F7-L175 HydrophobicContact CZ-CB 4.38Å; F7-L175 HydrophobicContact CZ-CD1 4.48Å; L171-L175 WeakPolarHBondContact O-CB 3.25Å; L171-L175 PolarHBondContact O-N 2.81Å; D172-L175 WeakPolarHBondContact O-CB 3.47Å; D172-L175 PolarHBondContact O-N 3.26Å; Y173-L175 VanDerWaalsContact C-N 3.27Å; Y173-L175 PolarHBondContact O-N 2.9Å; L175-I177 VanDerWaalsContact C-N 3.32Å; L175-I177 PolarHBondContact O-N 3.06Å; L175-N178 PolarHBondContact O-N 3.05Å; L175-V179 HydrophobicContact CD1-CG2 4.06Å; L175-V179 HydrophobicContact CG-CG2 4.48Å; L175-V179 WeakPolarHBondContact O-CB 3.35Å; L175-V179 VanDerWaalsContact O-CG2 3.31Å; L175-V179 WeakPolarHBondContact O-CG2 3.28Å; L175-V179 PolarHBondContact O-N 3.11Å
176	Q	91.6	Very high	91.4	Very high	58 Å²	58	53.2 Å²	53.2	27%	0.271	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-40.6	177.6	-65.6	-49	-49.8	0	0	112	A123 D172 Y173 V179 L180	A123-Q176 HydrophobicContact CB-CB 4.32Å; A123-Q176 HydrophobicContact CB-CG 3.88Å; D172-Q176 WeakPolarHBondContact O-CG 3.42Å; D172-Q176 PolarHBondContact O-N 3.26Å; Y173-Q176 PolarHBondContact O-N 3.45Å; Y173-Q176 VanDerWaalsContact O-N 3.16Å; Q176-V179 PolarHBondContact O-N 3.45Å; Q176-L180 WeakPolarHBondContact O-CB 3.5Å; Q176-L180 PolarHBondContact O-N 2.95Å
177	I	91.1	Very high	91.1	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-56.2	-56.1	173.4	-77.4	163.9	0	0	0	111.1	V5 I21 V24 F120 Y173 L175 V179 L180 Q181	V5-I177 HydrophobicContact CB-CG2 4.47Å; V5-I177 HydrophobicContact CG2-CG2 3.82Å; I21-I177 HydrophobicContact CD1-CD1 3.44Å; I21-I177 VanDerWaalsContact CD1-CD1 3.44Å; V24-I177 HydrophobicContact CG1-CG1 4.41Å; V24-I177 HydrophobicContact CG1-CG2 3.79Å; F120-I177 HydrophobicContact CD2-CG1 4.02Å; F120-I177 HydrophobicContact CE2-CD1 4.37Å; F120-I177 HydrophobicContact CE2-CG1 3.65Å; Y173-I177 HydrophobicContact CD1-CD1 4.08Å; Y173-I177 HydrophobicContact CD2-CD1 4.4Å; Y173-I177 HydrophobicContact CE1-CD1 3.69Å; Y173-I177 HydrophobicContact CE2-CD1 4.05Å; Y173-I177 HydrophobicContact CE2-CG1 4.19Å; Y173-I177 HydrophobicContact CG-CD1 4.4Å; Y173-I177 PolarHBondContact O-N 3.34Å; L175-I177 VanDerWaalsContact C-N 3.32Å; L175-I177 PolarHBondContact O-N 3.06Å; I177-V179 VanDerWaalsContact C-N 3.27Å; I177-V179 PolarHBondContact O-N 2.69Å; I177-L180 PolarHBondContact O-N 3.23Å; I177-Q181 HydrophobicContact CG2-CG 4.36Å; I177-Q181 WeakPolarHBondContact O-CB 3.27Å; I177-Q181 VanDerWaalsContact O-CG 3.24Å; I177-Q181 WeakPolarHBondContact O-CG 3.21Å; I177-Q181 PolarHBondContact O-N 3.47Å
178	N	89.8	Confident	91	Very high	10 Å²	10	51 Å²	51	5%	0.053	25%	0.25	C	C	.	.	H	α-helix	trans	-66.4	-30.3	-175.5	-77.6	-70	0	0	0	112	T4 V5 V174 L175 S182	T4-N178 PolarHBondContact N-OD1 3.02Å; V5-N178 PolarHBondContact O-ND2 2.89Å; V174-N178 WeakPolarHBondContact CG1-ND2 3.34Å; V174-N178 PolarHBondContact O-N 2.97Å; V174-N178 VanDerWaalsContact O-N 3.07Å; V174-N178 PolarHBondContact O-ND2 3.19Å; L175-N178 PolarHBondContact O-N 3.05Å; N178-S182 PolarHBondContact O-N 3Å; N178-S182 VanDerWaalsContact O-N 3.15Å
179	V	90.1	Very high	91	Very high	51 Å²	51	50.7 Å²	50.7	31%	0.309	25%	0.251	S	S	.	.	H	α-helix	trans	-70.6	-44.4	172.7	171.2	0	0	0	0	111.9	L175 Q176 I177 Q181 S182 K183	L175-V179 HydrophobicContact CD1-CG2 4.06Å; L175-V179 HydrophobicContact CG-CG2 4.48Å; L175-V179 WeakPolarHBondContact O-CB 3.35Å; L175-V179 VanDerWaalsContact O-CG2 3.31Å; L175-V179 WeakPolarHBondContact O-CG2 3.28Å; L175-V179 PolarHBondContact O-N 3.11Å; Q176-V179 PolarHBondContact O-N 3.45Å; I177-V179 VanDerWaalsContact C-N 3.27Å; I177-V179 PolarHBondContact O-N 2.69Å; V179-Q181 VanDerWaalsContact C-N 3.35Å; V179-Q181 PolarHBondContact O-N 3.19Å; V179-S182 PolarHBondContact O-N 2.89Å; V179-S182 PolarHBondContact O-OG 3.49Å; V179-K183 HydrophobicContact CG1-CD 4.39Å; V179-K183 PolarHBondContact O-N 3.08Å; V179-K183 VanDerWaalsContact O-N 3.1Å
180	L	89.2	Confident	90.9	Very high	9 Å²	9	55 Å²	55	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-43.6	176.9	-177.4	65	0	0	0	111.3	V28 F112 D116 L117 F120 Q176 I177 S182 K183 R184	V28-L180 HydrophobicContact CG1-CD2 3.78Å; V28-L180 HydrophobicContact CG2-CD2 3.87Å; F112-L180 HydrophobicContact CE2-CD1 3.91Å; F112-L180 HydrophobicContact CZ-CD1 3.62Å; D116-L180 HydrophobicContact CB-CD1 4.23Å; L117-L180 HydrophobicContact CD2-CD2 4.49Å; L117-L180 HydrophobicContact CG-CD1 4.47Å; F120-L180 HydrophobicContact CB-CD2 3.92Å; F120-L180 HydrophobicContact CD1-CD2 4.33Å; F120-L180 HydrophobicContact CD2-CD2 4.26Å; F120-L180 HydrophobicContact CG-CD2 3.9Å; Q176-L180 WeakPolarHBondContact O-CB 3.5Å; Q176-L180 PolarHBondContact O-N 2.95Å; I177-L180 PolarHBondContact O-N 3.23Å; L180-S182 VanDerWaalsContact C-N 3.26Å; L180-S182 PolarHBondContact O-N 3.42Å; L180-K183 PolarHBondContact O-N 2.81Å; L180-R184 PolarHBondContact O-N 2.76Å
181	Q	86.3	Confident	90.9	Very high	23 Å²	23	55 Å²	55	11%	0.107	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-30.8	175.4	-74.3	-72.1	-15.1	0	0	113	I177 V179	I177-Q181 HydrophobicContact CG2-CG 4.36Å; I177-Q181 WeakPolarHBondContact O-CB 3.27Å; I177-Q181 VanDerWaalsContact O-CG 3.24Å; I177-Q181 WeakPolarHBondContact O-CG 3.21Å; I177-Q181 PolarHBondContact O-N 3.47Å; V179-Q181 VanDerWaalsContact C-N 3.35Å; V179-Q181 PolarHBondContact O-N 3.19Å
182	S	85.9	Confident	90.9	Very high	52 Å²	52	55.9 Å²	55.9	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-75.1	-43.3	175.3	84.3	0	0	0	0	112.3	M1 N178 V179 L180	M1-S182 VanDerWaalsContact CE-CB 3.47Å; N178-S182 PolarHBondContact O-N 3Å; N178-S182 VanDerWaalsContact O-N 3.15Å; V179-S182 PolarHBondContact O-N 2.89Å; V179-S182 PolarHBondContact O-OG 3.49Å; L180-S182 VanDerWaalsContact C-N 3.26Å; L180-S182 PolarHBondContact O-N 3.42Å
183	K	87.8	Confident	91	Very high	65 Å²	65	56.2 Å²	56.2	28%	0.283	27%	0.274	S	S	.	.	H	α-helix	trans	-73.6	-34.1	-177.2	-73	-176.4	168.6	-165.5	0	114.2	F112 D116 V179 L180 R185 S186 E187	F112-K183 HydrophobicContact CE2-CB 4.03Å; D116-K183 IonicContact OD1-NZ 3.58Å; D116-K183 PolarHBondContact OD1-NZ 2.8Å; D116-K183 WeakPolarHBondContact OD2-CD 3.4Å; D116-K183 IonicContact OD2-NZ 3.59Å; D116-K183 PolarHBondContact OD2-NZ 3.44Å; V179-K183 HydrophobicContact CG1-CD 4.39Å; V179-K183 PolarHBondContact O-N 3.08Å; V179-K183 VanDerWaalsContact O-N 3.1Å; L180-K183 PolarHBondContact O-N 2.81Å; K183-R185 PolarHBondContact O-N 3.35Å; K183-S186 PolarHBondContact O-N 3.33Å; K183-S186 PolarHBondContact O-OG 2.85Å; K183-E187 PolarHBondContact O-N 2.85Å; K183-E187 VanDerWaalsContact O-N 3.1Å
184	R	87.6	Confident	91	Very high	79 Å²	79	57.7 Å²	57.7	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-51.7	-39.1	-172.4	70.2	175.4	178	169	-5.3	112.9	D27 L31 F112 L180 I188	D27-R184 IonicContact OD2-CZ 3.62Å; D27-R184 IonicContact OD2-NH1 2.76Å; D27-R184 PolarHBondContact OD2-NH1 3.31Å; D27-R184 IonicContact OD2-NH2 2.92Å; L31-R184 HydrophobicContact CD2-CB 4.02Å; F112-R184 HydrophobicContact CZ-CB 4.12Å; L180-R184 PolarHBondContact O-N 2.76Å; R184-I188 WeakPolarHBondContact O-CB 3.44Å; R184-I188 VanDerWaalsContact O-CD1 3.29Å; R184-I188 WeakPolarHBondContact O-CD1 3.32Å; R184-I188 WeakPolarHBondContact O-CG1 3.47Å; R184-I188 PolarHBondContact O-N 2.86Å
185	R	88.9	Confident	91.1	Very high	195 Å²	195	59.1 Å²	59.1	74%	0.736	29%	0.291	S	S	*	.	H	α-helix	trans	-73.3	-39.5	-179.6	-174.8	173.5	179.1	166.2	1.2	112.8	K183 L189	K183-R185 PolarHBondContact O-N 3.35Å; R185-L189 HydrophobicContact CG-CD1 3.82Å; R185-L189 WeakPolarHBondContact O-CB 3.45Å; R185-L189 WeakPolarHBondContact O-CD1 3.49Å; R185-L189 VanDerWaalsContact O-CG 3.24Å; R185-L189 WeakPolarHBondContact O-CG 3.13Å; R185-L189 PolarHBondContact O-N 3.5Å
186	S	90.2	Very high	91.4	Very high	59 Å²	59	60.7 Å²	60.7	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-71.8	-44.5	-177.8	55.5	0	0	0	0	111.9	K183 K190	K183-S186 PolarHBondContact O-N 3.33Å; K183-S186 PolarHBondContact O-OG 2.85Å; S186-K190 WeakPolarHBondContact O-CB 3.44Å; S186-K190 PolarHBondContact O-N 2.87Å
187	E	90.9	Very high	91.6	Very high	50 Å²	50	64.7 Å²	64.7	23%	0.234	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-43.3	-176.8	-62.3	-47.1	125.5	0	0	112.3	F112 K183 K190 S191	F112-E187 HydrophobicContact CD2-CB 4.23Å; F112-E187 HydrophobicContact CD2-CG 3.91Å; F112-E187 HydrophobicContact CE2-CG 4.37Å; F112-E187 HydrophobicContact CG-CB 4.37Å; F112-E187 HydrophobicContact CG-CG 4.46Å; K183-E187 PolarHBondContact O-N 2.85Å; K183-E187 VanDerWaalsContact O-N 3.1Å; E187-K190 PolarHBondContact O-N 2.93Å; E187-S191 VanDerWaalsContact O-CB 3.22Å; E187-S191 WeakPolarHBondContact O-CB 3.38Å; E187-S191 PolarHBondContact O-N 2.81Å
188	I	91.2	Very high	91.9	Very high	56 Å²	56	65.2 Å²	65.2	29%	0.287	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-45.6	177.7	-65	171.7	0	0	0	111.1	L31 L35 R184 M192	L31-I188 HydrophobicContact CD1-CD1 4.03Å; L35-I188 HydrophobicContact CD2-CD1 4.09Å; L35-I188 HydrophobicContact CD2-CG1 4.08Å; R184-I188 WeakPolarHBondContact O-CB 3.44Å; R184-I188 VanDerWaalsContact O-CD1 3.29Å; R184-I188 WeakPolarHBondContact O-CD1 3.32Å; R184-I188 WeakPolarHBondContact O-CG1 3.47Å; R184-I188 PolarHBondContact O-N 2.86Å; I188-M192 WeakPolarHBondContact O-CB 3.36Å; I188-M192 PolarHBondContact O-N 3.25Å
189	L	93.6	Very high	92.2	Very high	101 Å²	101	67.1 Å²	67.1	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-67.7	-40.1	179.6	-70.7	175.3	0	0	0	112.1	R185 L193	R185-L189 HydrophobicContact CG-CD1 3.82Å; R185-L189 WeakPolarHBondContact O-CB 3.45Å; R185-L189 WeakPolarHBondContact O-CD1 3.49Å; R185-L189 VanDerWaalsContact O-CG 3.24Å; R185-L189 WeakPolarHBondContact O-CG 3.13Å; R185-L189 PolarHBondContact O-N 3.5Å; L189-L193 WeakPolarHBondContact O-CB 3.5Å; L189-L193 PolarHBondContact O-N 3.34Å
190	K	92.7	Very high	92.6	Very high	122 Å²	122	69.8 Å²	69.8	53%	0.53	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-44.1	177.6	-178.9	-178.5	175.5	-171.4	0	112	S186 E187 S194	S186-K190 WeakPolarHBondContact O-CB 3.44Å; S186-K190 PolarHBondContact O-N 2.87Å; E187-K190 PolarHBondContact O-N 2.93Å; K190-S194 WeakPolarHBondContact O-CB 3.24Å; K190-S194 PolarHBondContact O-N 2.58Å
191	S	94.4	Very high	93	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.007	36%	0.355	C	S	.	.	H	α-helix	trans	-58.7	-53.3	175.4	175	0	0	0	0	111.3	S104 I105 L109 E187 S194 F195	S104-S191 WeakPolarHBondContact O-CB 3.41Å; S104-S191 PolarHBondContact O-OG 3.41Å; I105-S191 WeakPolarHBondContact CD1-OG 3.47Å; L109-S191 WeakPolarHBondContact CG-OG 3.5Å; E187-S191 VanDerWaalsContact O-CB 3.22Å; E187-S191 WeakPolarHBondContact O-CB 3.38Å; E187-S191 PolarHBondContact O-N 2.81Å; S191-S194 PolarHBondContact O-N 3.01Å; S191-F195 PolarHBondContact O-N 3.35Å; S191-F195 VanDerWaalsContact O-N 3.13Å
192	M	93.9	Very high	93.5	Very high	76 Å²	76	72.4 Å²	72.4	37%	0.374	35%	0.353	S	S	.	.	H	α-helix	trans	-66.2	-40.8	-179.7	-170.4	58.4	65.5	0	0	112.7	I188 S194 F195 M196	I188-M192 WeakPolarHBondContact O-CB 3.36Å; I188-M192 PolarHBondContact O-N 3.25Å; M192-S194 PolarHBondContact O-N 3.28Å; M192-F195 WeakPolarHBondContact O-CB 3.33Å; M192-F195 PolarHBondContact O-N 3.36Å; M192-F195 HydrophobicContact SD-CD1 4Å; M192-M196 WeakPolarHBondContact O-CG 3.4Å; M192-M196 PolarHBondContact O-N 2.89Å
193	L	95.1	Very high	94.1	Very high	95 Å²	95	76.3 Å²	76.3	50%	0.497	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-41.6	177.8	-177.3	62.2	0	0	0	111.5	L189 F195 M196 Y197	L189-L193 WeakPolarHBondContact O-CB 3.5Å; L189-L193 PolarHBondContact O-N 3.34Å; L193-F195 VanDerWaalsContact C-N 3.31Å; L193-F195 PolarHBondContact O-N 3.12Å; L193-M196 PolarHBondContact O-N 3.3Å; L193-Y197 HydrophobicContact CD1-CD2 4Å; L193-Y197 HydrophobicContact CD1-CE2 3.55Å; L193-Y197 HydrophobicContact CD2-CE2 4.16Å; L193-Y197 HydrophobicContact CG-CD2 3.9Å; L193-Y197 HydrophobicContact CG-CE2 3.63Å; L193-Y197 VanDerWaalsContact O-CD2 3.24Å; L193-Y197 WeakPolarHBondContact O-CD2 3.23Å; L193-Y197 PolarHBondContact O-N 2.63Å
194	S	95.9	Very high	94.6	Very high	32 Å²	32	78.6 Å²	78.6	22%	0.224	38%	0.375	C	S	.	.	H	α-helix	trans	-65.3	-33.9	175.5	-177.5	0	0	0	0	112.7	Q100 K190 S191 M192 A198	Q100-S194 PolarHBondContact NE2-OG 3.14Å; K190-S194 WeakPolarHBondContact O-CB 3.24Å; K190-S194 PolarHBondContact O-N 2.58Å; S191-S194 PolarHBondContact O-N 3.01Å; M192-S194 PolarHBondContact O-N 3.28Å; S194-A198 PolarHBondContact O-N 3.32Å
195	F	95.6	Very high	95	Very high	30 Å²	30	77.7 Å²	77.7	13%	0.132	37%	0.374	C	S	.	.	H	α-helix	trans	-67.9	-43.1	172.5	178.7	-114.4	0	0	0	112.6	M45 A101 I105 S191 M192 L193 Y197 A198 H199	M45-F195 HydrophobicContact CE-CE2 3.85Å; M45-F195 HydrophobicContact CE-CZ 3.84Å; M45-F195 HydrophobicContact SD-CZ 4.32Å; A101-F195 HydrophobicContact CB-CD2 3.72Å; A101-F195 HydrophobicContact CB-CE2 3.61Å; I105-F195 HydrophobicContact CD1-CB 3.67Å; I105-F195 HydrophobicContact CD1-CD1 4.46Å; I105-F195 HydrophobicContact CD1-CG 4.03Å; I105-F195 HydrophobicContact CG1-CB 4.01Å; I105-F195 HydrophobicContact CG1-CD2 4.09Å; I105-F195 HydrophobicContact CG1-CG 3.99Å; S191-F195 PolarHBondContact O-N 3.35Å; S191-F195 VanDerWaalsContact O-N 3.13Å; M192-F195 WeakPolarHBondContact O-CB 3.33Å; M192-F195 PolarHBondContact O-N 3.36Å; M192-F195 HydrophobicContact SD-CD1 4Å; L193-F195 VanDerWaalsContact C-N 3.31Å; L193-F195 PolarHBondContact O-N 3.12Å; F195-Y197 PolarHBondContact O-N 3Å; F195-A198 WeakPolarHBondContact O-CB 3.48Å; F195-A198 PolarHBondContact O-N 3.07Å; F195-H199 AromaticContact CE1-CD2 3.82Å; F195-H199 AromaticContact CE1-NE2 3.79Å; F195-H199 AromaticContact CE2-CD2 3.73Å; F195-H199 AromaticContact CE2-NE2 3.49Å; F195-H199 WeakPolarHBondContact CE2-NE2 3.13Å; F195-H199 AromaticContact CZ-CD2 3.52Å; F195-H199 AromaticContact CZ-NE2 3.12Å; F195-H199 WeakPolarHBondContact CZ-NE2 3.42Å; F195-H199 PolarHBondContact O-N 3.3Å; F195-H199 VanDerWaalsContact O-N 3.15Å
196	M	96.8	Very high	95.5	Very high	109 Å²	109	68.7 Å²	68.7	54%	0.537	34%	0.342	S	S	.	.	H	α-helix	trans	-64.1	-39.2	176.3	-68.6	-54.8	-57.5	0	0	112.7	M192 L193 A198 H199 L200	M192-M196 WeakPolarHBondContact O-CG 3.4Å; M192-M196 PolarHBondContact O-N 2.89Å; L193-M196 PolarHBondContact O-N 3.3Å; M196-A198 VanDerWaalsContact C-N 3.33Å; M196-A198 PolarHBondContact O-N 2.93Å; M196-H199 PolarHBondContact O-N 3.4Å; M196-L200 PolarHBondContact O-N 3.17Å
197	Y	97.3	Very high	95.8	Very high	142 Å²	142	73.6 Å²	73.6	56%	0.557	35%	0.352	S	S	*	.	H	α-helix	trans	-63.9	-36.9	173	-81.3	-60.3	0	0	0	112.6	L193 F195 H199 L200 T201	L193-Y197 HydrophobicContact CD1-CD2 4Å; L193-Y197 HydrophobicContact CD1-CE2 3.55Å; L193-Y197 HydrophobicContact CD2-CE2 4.16Å; L193-Y197 HydrophobicContact CG-CD2 3.9Å; L193-Y197 HydrophobicContact CG-CE2 3.63Å; L193-Y197 VanDerWaalsContact O-CD2 3.24Å; L193-Y197 WeakPolarHBondContact O-CD2 3.23Å; L193-Y197 PolarHBondContact O-N 2.63Å; F195-Y197 PolarHBondContact O-N 3Å; Y197-H199 VanDerWaalsContact C-N 3.34Å; Y197-H199 PolarHBondContact O-N 2.92Å; Y197-L200 HydrophobicContact CD1-CD2 4.26Å; Y197-L200 PolarHBondContact O-N 3.25Å; Y197-T201 PolarHBondContact O-N 3.42Å; Y197-T201 PolarHBondContact O-OG1 2.94Å
198	A	96.6	Very high	96.1	Very high	13 Å²	13	74.2 Å²	74.2	11%	0.107	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-42.8	175.4	0	0	0	0	0	112	L97 Q100 S194 F195 M196 T201 F202	L97-A198 HydrophobicContact CD1-CB 3.86Å; Q100-A198 HydrophobicContact CB-CB 3.89Å; Q100-A198 HydrophobicContact CG-CB 3.6Å; S194-A198 PolarHBondContact O-N 3.32Å; F195-A198 WeakPolarHBondContact O-CB 3.48Å; F195-A198 PolarHBondContact O-N 3.07Å; M196-A198 VanDerWaalsContact C-N 3.33Å; M196-A198 PolarHBondContact O-N 2.93Å; A198-T201 PolarHBondContact O-N 3.48Å; A198-F202 WeakPolarHBondContact O-CB 3.46Å; A198-F202 PolarHBondContact O-N 2.97Å
199	H	96.7	Very high	96.4	Very high	49 Å²	49	72.5 Å²	72.5	23%	0.227	35%	0.349	C	S	.	.	H	α-helix	trans	-62.3	-43.6	173	-88.9	-76.2	0	0	0	112.5	F195 M196 Y197 T201 F202 F203	F195-H199 AromaticContact CE1-CD2 3.82Å; F195-H199 AromaticContact CE1-NE2 3.79Å; F195-H199 AromaticContact CE2-CD2 3.73Å; F195-H199 AromaticContact CE2-NE2 3.49Å; F195-H199 WeakPolarHBondContact CE2-NE2 3.13Å; F195-H199 AromaticContact CZ-CD2 3.52Å; F195-H199 AromaticContact CZ-NE2 3.12Å; F195-H199 WeakPolarHBondContact CZ-NE2 3.42Å; F195-H199 PolarHBondContact O-N 3.3Å; F195-H199 VanDerWaalsContact O-N 3.15Å; M196-H199 PolarHBondContact O-N 3.4Å; Y197-H199 VanDerWaalsContact C-N 3.34Å; Y197-H199 PolarHBondContact O-N 2.92Å; H199-T201 PolarHBondContact O-N 2.88Å; H199-F202 PolarHBondContact O-N 3.35Å; H199-F203 AromaticContact ND1-CE2 3.96Å; H199-F203 WeakPolarHBondContact O-CD2 3.23Å; H199-F203 PolarHBondContact O-N 2.9Å
200	L	97.7	Very high	96.5	Very high	108 Å²	108	71.8 Å²	71.8	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-59.3	-47.5	177.7	180	63.2	0	0	0	111.6	M196 Y197 F203 H204	M196-L200 PolarHBondContact O-N 3.17Å; Y197-L200 HydrophobicContact CD1-CD2 4.26Å; Y197-L200 PolarHBondContact O-N 3.25Å; L200-F203 PolarHBondContact O-N 2.9Å; L200-H204 WeakPolarHBondContact O-CB 3.41Å; L200-H204 PolarHBondContact O-N 3.41Å
201	T	97.5	Very high	96.7	Very high	73 Å²	73	68 Å²	68	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-46.2	176.4	-60.7	0	0	0	0	111.6	Y197 A198 H199 F203 H204 Q205	Y197-T201 PolarHBondContact O-N 3.42Å; Y197-T201 PolarHBondContact O-OG1 2.94Å; A198-T201 PolarHBondContact O-N 3.48Å; H199-T201 PolarHBondContact O-N 2.88Å; T201-F203 PolarHBondContact O-N 3.26Å; T201-H204 PolarHBondContact O-N 3.34Å; T201-Q205 HydrophobicContact CG2-CG 4.28Å; T201-Q205 WeakPolarHBondContact O-CB 3.29Å; T201-Q205 VanDerWaalsContact O-CG 3.32Å; T201-Q205 WeakPolarHBondContact O-CG 3.43Å; T201-Q205 PolarHBondContact O-N 3.41Å
202	F	97.9	Very high	96.7	Very high	14 Å²	14	75.4 Å²	75.4	6%	0.061	36%	0.364	C	S	.	.	H	α-helix	trans	-57.2	-48.4	177.6	163.4	-98.9	0	0	0	112.9	M90 H94 L97 A198 H199 G206	M90-F202 HydrophobicContact CE-CE1 4.34Å; M90-F202 HydrophobicContact CE-CE2 3.7Å; M90-F202 HydrophobicContact CE-CZ 3.45Å; M90-F202 VanDerWaalsContact CE-CZ 3.45Å; M90-F202 HydrophobicContact SD-CE2 4.41Å; H94-F202 HydrophobicContact CB-CE2 4.27Å; H94-F202 AromaticContact CD2-CE2 3.71Å; H94-F202 AromaticContact CD2-CZ 3.69Å; H94-F202 AromaticContact CE1-CE2 3.73Å; H94-F202 AromaticContact CE1-CZ 3.57Å; H94-F202 AromaticContact CG-CE2 3.55Å; H94-F202 AromaticContact CG-CZ 3.98Å; H94-F202 AromaticContact ND1-CE2 3.56Å; H94-F202 AromaticContact ND1-CZ 3.9Å; H94-F202 AromaticContact NE2-CE2 3.83Å; H94-F202 AromaticContact NE2-CZ 3.42Å; H94-F202 WeakPolarHBondContact NE2-CZ 3.3Å; L97-F202 HydrophobicContact CB-CB 4.25Å; L97-F202 HydrophobicContact CB-CD2 4.28Å; L97-F202 HydrophobicContact CB-CG 4.36Å; L97-F202 HydrophobicContact CD1-CB 4.36Å; L97-F202 HydrophobicContact CD2-CB 4.19Å; L97-F202 HydrophobicContact CD2-CD1 3.91Å; L97-F202 HydrophobicContact CD2-CD2 4.11Å; L97-F202 HydrophobicContact CD2-CE1 4.32Å; L97-F202 HydrophobicContact CD2-CG 3.79Å; A198-F202 WeakPolarHBondContact O-CB 3.46Å; A198-F202 PolarHBondContact O-N 2.97Å; H199-F202 PolarHBondContact O-N 3.35Å; F202-G206 PolarHBondContact O-N 3.44Å
203	F	97.8	Very high	96.8	Very high	133 Å²	133	72.5 Å²	72.5	58%	0.583	35%	0.351	S	S	*	.	H	α-helix	trans	-68.3	-35.5	179.5	-76.9	-64.2	0	0	0	112.7	H199 L200 T201 Y207	H199-F203 AromaticContact ND1-CE2 3.96Å; H199-F203 WeakPolarHBondContact O-CD2 3.23Å; H199-F203 PolarHBondContact O-N 2.9Å; L200-F203 PolarHBondContact O-N 2.9Å; T201-F203 PolarHBondContact O-N 3.26Å; F203-Y207 WeakPolarHBondContact O-CB 3.21Å; F203-Y207 PolarHBondContact O-N 3.41Å
204	H	97.9	Very high	96.8	Very high	113 Å²	113	72.8 Å²	72.8	52%	0.523	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-51.4	175.7	-164.4	-57.3	0	0	0	111.2	L200 T201 G206 Y207 D208	L200-H204 WeakPolarHBondContact O-CB 3.41Å; L200-H204 PolarHBondContact O-N 3.41Å; T201-H204 PolarHBondContact O-N 3.34Å; H204-G206 VanDerWaalsContact C-N 3.32Å; H204-G206 PolarHBondContact O-N 3.5Å; H204-Y207 PolarHBondContact O-N 3.12Å; H204-Y207 VanDerWaalsContact O-N 3.12Å; H204-D208 IonicContact CE1-OD1 3.28Å; H204-D208 IonicContact CE1-OD2 2.7Å; H204-D208 PolarHBondContact CE1-OD2 2.95Å; H204-D208 IonicContact CG-OD2 3.82Å; H204-D208 IonicContact ND1-OD1 3.14Å; H204-D208 IonicContact ND1-OD2 3.84Å; H204-D208 PolarHBondContact ND1-OD2 3.42Å; H204-D208 VanDerWaalsContact O-CG 3.24Å; H204-D208 PolarHBondContact O-N 2.9Å
205	Q	97.7	Very high	96.8	Very high	61 Å²	61	75.3 Å²	75.3	29%	0.285	37%	0.365	S	S	.	.	H	α-helix	trans	-60.7	-40.2	178.9	-69.9	179.4	-52.5	0	0	112.4	Y93 T201 L209	Y93-Q205 HydrophobicContact CD1-CB 4.24Å; Y93-Q205 HydrophobicContact CD2-CB 3.75Å; Y93-Q205 HydrophobicContact CE1-CB 4.19Å; Y93-Q205 HydrophobicContact CE2-CB 3.67Å; Y93-Q205 WeakPolarHBondContact CE2-O 3.45Å; Y93-Q205 HydrophobicContact CG-CB 4.05Å; T201-Q205 HydrophobicContact CG2-CG 4.28Å; T201-Q205 WeakPolarHBondContact O-CB 3.29Å; T201-Q205 VanDerWaalsContact O-CG 3.32Å; T201-Q205 WeakPolarHBondContact O-CG 3.43Å; T201-Q205 PolarHBondContact O-N 3.41Å; Q205-L209 WeakPolarHBondContact O-CB 3.5Å; Q205-L209 PolarHBondContact O-N 2.88Å
206	G	97.4	Very high	96.6	Very high	5 Å²	5	75.2 Å²	75.2	5%	0.052	37%	0.366	C	S	.	.	H	α-helix	trans	-64.5	-41.8	173.7	0	0	0	0	0	113	F202 H204 F210	F202-G206 PolarHBondContact O-N 3.44Å; H204-G206 VanDerWaalsContact C-N 3.32Å; H204-G206 PolarHBondContact O-N 3.5Å; G206-F210 VanDerWaalsContact O-CD2 3.28Å; G206-F210 WeakPolarHBondContact O-CD2 3Å; G206-F210 PolarHBondContact O-N 2.98Å; G206-F210 VanDerWaalsContact O-N 3.13Å
207	Y	97.5	Very high	96.5	Very high	163 Å²	163	74.8 Å²	74.8	64%	0.639	36%	0.364	S	S	*	.	H	α-helix	trans	-63.3	-45.5	177.4	173.8	-92	0	0	0	112.3	F203 H204 F210 S211	F203-Y207 WeakPolarHBondContact O-CB 3.21Å; F203-Y207 PolarHBondContact O-N 3.41Å; H204-Y207 PolarHBondContact O-N 3.12Å; H204-Y207 VanDerWaalsContact O-N 3.12Å; Y207-F210 PolarHBondContact O-N 3.41Å; Y207-S211 WeakPolarHBondContact CE1-OG 3.24Å; Y207-S211 VanDerWaalsContact O-CB 3.32Å; Y207-S211 WeakPolarHBondContact O-CB 3.45Å; Y207-S211 PolarHBondContact O-N 3.37Å; Y207-S211 PolarHBondContact O-OG 3.12Å
208	D	97.5	Very high	96.4	Very high	62 Å²	62	74.8 Å²	74.8	33%	0.332	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-49.6	179.5	-60.9	-32.5	0	0	0	110.3	H204 F210 S211 E212	H204-D208 IonicContact CE1-OD1 3.28Å; H204-D208 IonicContact CE1-OD2 2.7Å; H204-D208 PolarHBondContact CE1-OD2 2.95Å; H204-D208 IonicContact CG-OD2 3.82Å; H204-D208 IonicContact ND1-OD1 3.14Å; H204-D208 IonicContact ND1-OD2 3.84Å; H204-D208 PolarHBondContact ND1-OD2 3.42Å; H204-D208 VanDerWaalsContact O-CG 3.24Å; H204-D208 PolarHBondContact O-N 2.9Å; D208-F210 PolarHBondContact O-N 2.92Å; D208-S211 WeakPolarHBondContact O-CB 3.5Å; D208-S211 PolarHBondContact O-N 3.48Å; D208-S211 VanDerWaalsContact O-N 3.1Å; D208-E212 PolarHBondContact O-N 3.32Å
209	L	97.2	Very high	96.2	Very high	21 Å²	21	80 Å²	80	11%	0.11	39%	0.389	C	S	.	.	H	α-helix	trans	-56.9	-46	179.1	178.9	64.6	0	0	0	113.3	S86 E89 M90 Y93 Q205 E212 L213	S86-L209 WeakPolarHBondContact O-CD2 3.36Å; E89-L209 HydrophobicContact CB-CD1 4.48Å; E89-L209 HydrophobicContact CB-CD2 3.79Å; M90-L209 HydrophobicContact CB-CD2 4.46Å; Y93-L209 HydrophobicContact CD2-CD2 4.48Å; Y93-L209 HydrophobicContact CE2-CB 4.29Å; Y93-L209 HydrophobicContact CE2-CD2 3.82Å; Q205-L209 WeakPolarHBondContact O-CB 3.5Å; Q205-L209 PolarHBondContact O-N 2.88Å; L209-E212 PolarHBondContact O-N 3.33Å; L209-L213 PolarHBondContact O-N 3.45Å; L209-L213 VanDerWaalsContact O-N 3.17Å
210	F	96.2	Very high	96.1	Very high	86 Å²	86	79.7 Å²	79.7	38%	0.377	39%	0.388	S	S	.	.	H	α-helix	trans	-75.8	-23.8	177.9	-77.9	-69.2	0	0	0	113.2	L87 M90 G206 Y207 D208 L213 Q214	L87-F210 HydrophobicContact CD2-CZ 4.49Å; M90-F210 HydrophobicContact CG-CE2 4.24Å; M90-F210 HydrophobicContact SD-CE2 4.26Å; G206-F210 VanDerWaalsContact O-CD2 3.28Å; G206-F210 WeakPolarHBondContact O-CD2 3Å; G206-F210 PolarHBondContact O-N 2.98Å; G206-F210 VanDerWaalsContact O-N 3.13Å; Y207-F210 PolarHBondContact O-N 3.41Å; D208-F210 PolarHBondContact O-N 2.92Å; F210-L213 HydrophobicContact CD1-CD2 4.01Å; F210-L213 HydrophobicContact CE1-CD2 4.14Å; F210-L213 PolarHBondContact O-N 3.3Å; F210-Q214 PolarHBondContact O-N 3.35Å; F210-Q214 VanDerWaalsContact O-N 3.13Å
211	S	96.7	Very high	95.8	Very high	42 Å²	42	76 Å²	76	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-69	-40.3	171.8	-60.6	0	0	0	0	111.4	Y207 D208 L213 Q214	Y207-S211 WeakPolarHBondContact CE1-OG 3.24Å; Y207-S211 VanDerWaalsContact O-CB 3.32Å; Y207-S211 WeakPolarHBondContact O-CB 3.45Å; Y207-S211 PolarHBondContact O-N 3.37Å; Y207-S211 PolarHBondContact O-OG 3.12Å; D208-S211 WeakPolarHBondContact O-CB 3.5Å; D208-S211 PolarHBondContact O-N 3.48Å; D208-S211 VanDerWaalsContact O-N 3.1Å; S211-L213 VanDerWaalsContact C-N 3.33Å; S211-Q214 WeakPolarHBondContact O-CB 3.49Å; S211-Q214 PolarHBondContact O-N 3.13Å
212	E	94.9	Very high	95.6	Very high	156 Å²	156	74.7 Å²	74.7	73%	0.729	38%	0.377	S	S	*	.	H	α-helix	trans	-66.3	-32.4	173	-70.2	-178.6	177.5	0	0	112.8	D208 L209 P215	D208-E212 PolarHBondContact O-N 3.32Å; L209-E212 PolarHBondContact O-N 3.33Å; E212-P215 VanDerWaalsContact O-CD 3.28Å; E212-P215 WeakPolarHBondContact O-CD 3.36Å
213	L	94.6	Very high	95.4	Very high	16 Å²	16	77.3 Å²	77.3	8%	0.084	39%	0.39	C	S	.	.	H	α-helix	trans	-75.7	-23.8	176.5	-169.7	64.1	0	0	0	113.5	F83 L209 F210 S211 P215 L216 M217	F83-L213 HydrophobicContact CD1-CD1 4.06Å; F83-L213 HydrophobicContact CD1-CD2 4.04Å; F83-L213 HydrophobicContact CD1-CG 4.44Å; F83-L213 HydrophobicContact CE1-CD1 4.15Å; F83-L213 HydrophobicContact CE1-CD2 4.3Å; F83-L213 HydrophobicContact CE1-CG 4.37Å; L209-L213 PolarHBondContact O-N 3.45Å; L209-L213 VanDerWaalsContact O-N 3.17Å; F210-L213 HydrophobicContact CD1-CD2 4.01Å; F210-L213 HydrophobicContact CE1-CD2 4.14Å; F210-L213 PolarHBondContact O-N 3.3Å; S211-L213 VanDerWaalsContact C-N 3.33Å; L213-P215 VanDerWaalsContact C-CD 3.44Å; L213-L216 HydrophobicContact CD1-CB 4.38Å; L213-L216 HydrophobicContact CD1-CD2 3.72Å; L213-L216 WeakPolarHBondContact O-CB 3.48Å; L213-L216 PolarHBondContact O-N 3.15Å; L213-L216 VanDerWaalsContact O-N 3.1Å; L213-M217 HydrophobicContact CD2-SD 4.26Å; L213-M217 HydrophobicContact CG-CG 4.22Å; L213-M217 HydrophobicContact CG-SD 4.25Å; L213-M217 PolarHBondContact O-N 3.47Å
214	Q	95.3	Very high	95.1	Very high	101 Å²	101	76 Å²	76	47%	0.472	39%	0.388	S	S	.	.	H	α-helix	trans	-55.1	-39.3	-172.7	-162.8	-171.7	23.5	0	0	115.2	F210 S211 M217 K218	F210-Q214 PolarHBondContact O-N 3.35Å; F210-Q214 VanDerWaalsContact O-N 3.13Å; S211-Q214 WeakPolarHBondContact O-CB 3.49Å; S211-Q214 PolarHBondContact O-N 3.13Å; Q214-M217 PolarHBondContact O-N 3.31Å; Q214-K218 PolarHBondContact O-N 3.34Å
215	P	95.3	Very high	94.9	Very high	84 Å²	84	76 Å²	76	55%	0.545	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-39.9	176.7	-22.2	35.2	0	0	0	112.9	E212 L213 K218 Q219	E212-P215 VanDerWaalsContact O-CD 3.28Å; E212-P215 WeakPolarHBondContact O-CD 3.36Å; L213-P215 VanDerWaalsContact C-CD 3.44Å; P215-K218 PolarHBondContact O-N 3.21Å; P215-Q219 PolarHBondContact O-N 2.96Å
216	L	93.3	Very high	94.7	Very high	29 Å²	29	78 Å²	78	15%	0.152	40%	0.401	C	S	.	.	H	α-helix	trans	-61.6	-45.6	176.9	-177.6	76	0	0	0	110.7	K82 F83 L213 K218 Q219 L220	K82-L216 HydrophobicContact CB-CD2 3.7Å; K82-L216 HydrophobicContact CD-CD1 3.93Å; K82-L216 HydrophobicContact CD-CD2 3.56Å; K82-L216 HydrophobicContact CD-CG 4.41Å; K82-L216 HydrophobicContact CG-CD2 4.28Å; F83-L216 HydrophobicContact CD1-CD2 4.44Å; F83-L216 HydrophobicContact CE1-CD2 3.99Å; L213-L216 HydrophobicContact CD1-CB 4.38Å; L213-L216 HydrophobicContact CD1-CD2 3.72Å; L213-L216 WeakPolarHBondContact O-CB 3.48Å; L213-L216 PolarHBondContact O-N 3.15Å; L213-L216 VanDerWaalsContact O-N 3.1Å; L216-K218 VanDerWaalsContact C-N 3.3Å; L216-K218 PolarHBondContact O-N 3.16Å; L216-Q219 PolarHBondContact O-N 3.43Å; L216-L220 WeakPolarHBondContact O-CB 3.47Å; L216-L220 PolarHBondContact O-N 3.19Å
217	M	93.9	Very high	94.5	Very high	100 Å²	100	82.4 Å²	82.4	49%	0.493	42%	0.423	S	S	.	.	H	α-helix	trans	-61.3	-38.4	179	-64.2	175.6	68.7	0	0	112.2	F83 L213 Q214 G221	F83-M217 HydrophobicContact CE1-CG 3.95Å; F83-M217 HydrophobicContact CZ-CG 4.31Å; L213-M217 HydrophobicContact CD2-SD 4.26Å; L213-M217 HydrophobicContact CG-CG 4.22Å; L213-M217 HydrophobicContact CG-SD 4.25Å; L213-M217 PolarHBondContact O-N 3.47Å; Q214-M217 PolarHBondContact O-N 3.31Å; M217-G221 PolarHBondContact O-N 2.82Å
218	K	94.6	Very high	94.4	Very high	142 Å²	142	79 Å²	79	62%	0.617	42%	0.419	S	S	*	.	H	α-helix	trans	-67.1	-42.8	175	-72.5	175.9	179.6	171.7	0	112.2	Q214 P215 L216 G221 G222	Q214-K218 PolarHBondContact O-N 3.34Å; P215-K218 PolarHBondContact O-N 3.21Å; L216-K218 VanDerWaalsContact C-N 3.3Å; L216-K218 PolarHBondContact O-N 3.16Å; K218-G221 PolarHBondContact O-N 2.92Å; K218-G222 PolarHBondContact O-N 2.84Å
219	Q	93.3	Very high	94.4	Very high	123 Å²	123	80.1 Å²	80.1	58%	0.575	43%	0.428	S	S	*	.	H	α-helix	trans	-61.9	-47.5	176.1	179.5	179.4	-24.3	0	0	111.3	P215 L216 G221 G222 Q223	P215-Q219 PolarHBondContact O-N 2.96Å; L216-Q219 PolarHBondContact O-N 3.43Å; Q219-G221 VanDerWaalsContact C-N 3.31Å; Q219-G221 PolarHBondContact O-N 3.13Å; Q219-G222 PolarHBondContact O-N 3.21Å; Q219-Q223 WeakPolarHBondContact O-CG 3.27Å; Q219-Q223 PolarHBondContact O-N 3.21Å
220	L	93.7	Very high	94.2	Very high	41 Å²	41	82.2 Å²	82.2	22%	0.215	44%	0.44	C	S	.	.	H	α-helix	trans	-63.3	-36.7	179.5	-175.6	62.2	0	0	0	112.2	V75 F83 L216 G222 Q223 L224	V75-L220 HydrophobicContact CG1-CD1 4.12Å; F83-L220 HydrophobicContact CE2-CD2 3.67Å; F83-L220 HydrophobicContact CZ-CD2 3.66Å; L216-L220 WeakPolarHBondContact O-CB 3.47Å; L216-L220 PolarHBondContact O-N 3.19Å; L220-G222 PolarHBondContact O-N 3Å; L220-Q223 PolarHBondContact O-N 3.46Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 PolarHBondContact O-N 3.26Å
221	G	92.4	Very high	94.1	Very high	31 Å²	31	80.8 Å²	80.8	32%	0.32	44%	0.444	S	S	.	.	H	α-helix	trans	-56.9	-48.8	173.2	0	0	0	0	0	112.4	M217 K218 Q219 Q223 L224 D225	M217-G221 PolarHBondContact O-N 2.82Å; K218-G221 PolarHBondContact O-N 2.92Å; Q219-G221 VanDerWaalsContact C-N 3.31Å; Q219-G221 PolarHBondContact O-N 3.13Å; G221-Q223 VanDerWaalsContact C-N 3.34Å; G221-Q223 PolarHBondContact O-N 3.48Å; G221-L224 PolarHBondContact O-N 2.88Å; G221-D225 PolarHBondContact O-N 3.49Å; G221-D225 VanDerWaalsContact O-N 3.08Å
222	G	93.1	Very high	94.1	Very high	45 Å²	45	81 Å²	81	46%	0.464	45%	0.447	S	S	.	.	H	α-helix	trans	-65.4	-33.4	176.4	0	0	0	0	0	113.8	K218 Q219 L220 Q226	K218-G222 PolarHBondContact O-N 2.84Å; Q219-G222 PolarHBondContact O-N 3.21Å; L220-G222 PolarHBondContact O-N 3Å; G222-Q226 PolarHBondContact O-N 3.15Å
223	Q	92.6	Very high	94.1	Very high	70 Å²	70	79 Å²	79	33%	0.327	44%	0.437	S	S	.	.	H	α-helix	trans	-67.7	-39.7	173.2	-70	177.1	-65.1	0	0	111.7	Q219 L220 G221 Q226 L227	Q219-Q223 WeakPolarHBondContact O-CG 3.27Å; Q219-Q223 PolarHBondContact O-N 3.21Å; L220-Q223 PolarHBondContact O-N 3.46Å; G221-Q223 VanDerWaalsContact C-N 3.34Å; G221-Q223 PolarHBondContact O-N 3.48Å; Q223-Q226 PolarHBondContact O-N 3.03Å; Q223-L227 WeakPolarHBondContact O-CG 3.46Å; Q223-L227 PolarHBondContact O-N 3.38Å
224	L	92.7	Very high	94.1	Very high	104 Å²	104	84.9 Å²	84.9	55%	0.545	46%	0.463	S	S	.	.	H	α-helix	trans	-64.8	-44	178.6	-177.7	62.4	0	0	0	111.8	L220 G221 Q226 L227 V228	L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 PolarHBondContact O-N 3.26Å; G221-L224 PolarHBondContact O-N 2.88Å; L224-Q226 VanDerWaalsContact C-N 3.29Å; L224-Q226 PolarHBondContact O-N 3.48Å; L224-L227 PolarHBondContact O-N 3.04Å; L224-V228 WeakPolarHBondContact O-CG2 3.39Å; L224-V228 PolarHBondContact O-N 2.76Å
225	D	94.2	Very high	94	Very high	114 Å²	114	86.2 Å²	86.2	61%	0.61	47%	0.468	S	S	*	.	H	α-helix	trans	-57.9	-43.1	175.6	-72.8	-26.2	0	0	0	111.4	G221 V228 V229	G221-D225 PolarHBondContact O-N 3.49Å; G221-D225 VanDerWaalsContact O-N 3.08Å; D225-V228 PolarHBondContact O-N 3.15Å; D225-V229 WeakPolarHBondContact O-CG2 3.44Å; D225-V229 PolarHBondContact O-N 2.86Å
226	Q	93.5	Very high	94.1	Very high	103 Å²	103	89.6 Å²	89.6	48%	0.481	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-46.2	176.8	-176.7	57.4	52.2	0	0	112	G222 Q223 L224 V228 V229 D230	G222-Q226 PolarHBondContact O-N 3.15Å; Q223-Q226 PolarHBondContact O-N 3.03Å; L224-Q226 VanDerWaalsContact C-N 3.29Å; L224-Q226 PolarHBondContact O-N 3.48Å; Q226-V228 VanDerWaalsContact C-N 3.28Å; Q226-V228 PolarHBondContact O-N 3.18Å; Q226-V229 WeakPolarHBondContact O-CB 3.44Å; Q226-V229 PolarHBondContact O-N 3.03Å; Q226-V229 VanDerWaalsContact O-N 3.11Å; Q226-D230 VanDerWaalsContact NE2-CG 3.26Å; Q226-D230 PolarHBondContact NE2-OD1 3.44Å; Q226-D230 PolarHBondContact NE2-OD2 2.98Å; Q226-D230 PolarHBondContact O-N 3.17Å
227	L	92.6	Very high	94.1	Very high	97 Å²	97	91.4 Å²	91.4	51%	0.508	48%	0.48	S	S	.	.	H	α-helix	trans	-60.1	-36.4	177.5	-72.8	170.2	0	0	0	112.5	Q223 L224 D230 A231	Q223-L227 WeakPolarHBondContact O-CG 3.46Å; Q223-L227 PolarHBondContact O-N 3.38Å; L224-L227 PolarHBondContact O-N 3.04Å; L227-D230 PolarHBondContact O-N 3.27Å; L227-A231 VanDerWaalsContact O-CB 3.31Å; L227-A231 WeakPolarHBondContact O-CB 3.32Å; L227-A231 PolarHBondContact O-N 3.34Å
228	V	95.1	Very high	94.1	Very high	91 Å²	91	92.3 Å²	92.3	55%	0.552	48%	0.484	S	S	*	.	H	α-helix	trans	-65.9	-40.8	174.9	170.1	0	0	0	0	111.5	L224 D225 Q226 A232	L224-V228 WeakPolarHBondContact O-CG2 3.39Å; L224-V228 PolarHBondContact O-N 2.76Å; D225-V228 PolarHBondContact O-N 3.15Å; Q226-V228 VanDerWaalsContact C-N 3.28Å; Q226-V228 PolarHBondContact O-N 3.18Å; V228-A232 VanDerWaalsContact O-CB 3.29Å; V228-A232 WeakPolarHBondContact O-CB 3.47Å; V228-A232 PolarHBondContact O-N 3.47Å
229	V	96.6	Very high	94	Very high	86 Å²	86	90.1 Å²	90.1	52%	0.521	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-44.1	175.7	171.4	0	0	0	0	111.3	D225 Q226 A232 K233	D225-V229 WeakPolarHBondContact O-CG2 3.44Å; D225-V229 PolarHBondContact O-N 2.86Å; Q226-V229 WeakPolarHBondContact O-CB 3.44Å; Q226-V229 PolarHBondContact O-N 3.03Å; Q226-V229 VanDerWaalsContact O-N 3.11Å; V229-A232 PolarHBondContact O-N 3.46Å; V229-K233 PolarHBondContact O-N 2.75Å
230	D	94.4	Very high	94.1	Very high	66 Å²	66	90.6 Å²	90.6	35%	0.353	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-45	-179.7	-70	-36.8	0	0	0	111.6	Q226 L227 A232 K233 E234	Q226-D230 VanDerWaalsContact NE2-CG 3.26Å; Q226-D230 PolarHBondContact NE2-OD1 3.44Å; Q226-D230 PolarHBondContact NE2-OD2 2.98Å; Q226-D230 PolarHBondContact O-N 3.17Å; L227-D230 PolarHBondContact O-N 3.27Å; D230-A232 VanDerWaalsContact C-N 3.3Å; D230-A232 PolarHBondContact O-N 2.87Å; D230-K233 WeakPolarHBondContact O-CA 3.18Å; D230-K233 WeakPolarHBondContact O-CB 3.26Å; D230-K233 PolarHBondContact O-N 2.76Å; D230-E234 PolarHBondContact O-N 3.06Å
231	A	93.6	Very high	94	Very high	56 Å²	56	94.4 Å²	94.4	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-59.9	-38.3	173.6	0	0	0	0	0	112.5	L227 K233 K235	L227-A231 VanDerWaalsContact O-CB 3.31Å; L227-A231 WeakPolarHBondContact O-CB 3.32Å; L227-A231 PolarHBondContact O-N 3.34Å; A231-K233 VanDerWaalsContact C-N 3.28Å; A231-K233 PolarHBondContact O-N 3.17Å; A231-K235 VanDerWaalsContact O-CB 3.29Å; A231-K235 WeakPolarHBondContact O-CB 3.35Å; A231-K235 PolarHBondContact O-N 3.09Å
232	A	95.9	Very high	93.8	Very high	45 Å²	45	98.7 Å²	98.7	37%	0.372	51%	0.505	S	S	.	.	H	α-helix	trans	-70.8	-21.4	175.4	0	0	0	0	0	113.5	V228 V229 D230 R236	V228-A232 VanDerWaalsContact O-CB 3.29Å; V228-A232 WeakPolarHBondContact O-CB 3.47Å; V228-A232 PolarHBondContact O-N 3.47Å; V229-A232 PolarHBondContact O-N 3.46Å; D230-A232 VanDerWaalsContact C-N 3.3Å; D230-A232 PolarHBondContact O-N 2.87Å; A232-R236 PolarHBondContact O-NE 3.41Å
233	K	96.7	Very high	93.6	Very high	116 Å²	116	99.7 Å²	99.7	50%	0.504	50%	0.504	S	S	.	.	H	α-helix	trans	-79.7	-51.9	170.5	-179.6	-171.1	170.5	-166.2	0	110.6	V229 D230 A231 K235 R236 D237	V229-K233 PolarHBondContact O-N 2.75Å; D230-K233 WeakPolarHBondContact O-CA 3.18Å; D230-K233 WeakPolarHBondContact O-CB 3.26Å; D230-K233 PolarHBondContact O-N 2.76Å; A231-K233 VanDerWaalsContact C-N 3.28Å; A231-K233 PolarHBondContact O-N 3.17Å; K233-K235 VanDerWaalsContact C-N 3.28Å; K233-K235 PolarHBondContact O-N 2.85Å; K233-R236 PolarHBondContact O-N 3.28Å; K233-D237 PolarHBondContact O-N 2.95Å
234	E	94.1	Very high	93.4	Very high	138 Å²	138	99.2 Å²	99.2	65%	0.645	51%	0.506	S	S	*	.	H	α-helix	trans	-56.7	-41.5	178.4	-70.8	-167.3	154.9	0	0	112.3	D230 R236 D237 M238	D230-E234 PolarHBondContact O-N 3.06Å; E234-R236 PolarHBondContact O-N 3.48Å; E234-D237 PolarHBondContact O-N 3.04Å; E234-M238 WeakPolarHBondContact O-CB 3.39Å; E234-M238 VanDerWaalsContact O-CG 3.25Å; E234-M238 WeakPolarHBondContact O-CG 3.45Å; E234-M238 PolarHBondContact O-N 3.09Å
235	K	93.3	Very high	93	Very high	130 Å²	130	99.8 Å²	99.8	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-55.9	-48.2	174.1	178	177.7	169.5	-180	0	112	A231 K233 M238 E239	A231-K235 VanDerWaalsContact O-CB 3.29Å; A231-K235 WeakPolarHBondContact O-CB 3.35Å; A231-K235 PolarHBondContact O-N 3.09Å; K233-K235 VanDerWaalsContact C-N 3.28Å; K233-K235 PolarHBondContact O-N 2.85Å; K235-M238 PolarHBondContact O-N 2.98Å; K235-E239 WeakPolarHBondContact CE-OE1 3.44Å; K235-E239 HydrophobicContact CG-CG 4.47Å; K235-E239 IonicContact NZ-OE1 2.78Å; K235-E239 WeakPolarHBondContact O-CG 3.3Å; K235-E239 PolarHBondContact O-N 3.14Å
236	R	95.9	Very high	92.4	Very high	155 Å²	155	100.2 Å²	100.2	59%	0.585	51%	0.507	S	S	*	.	H	α-helix	trans	-64.2	-43	179	-78.7	179.6	-75.6	164.1	-4.5	111.7	A232 K233 E234 M238 E239 Q240	A232-R236 PolarHBondContact O-NE 3.41Å; K233-R236 PolarHBondContact O-N 3.28Å; E234-R236 PolarHBondContact O-N 3.48Å; R236-M238 VanDerWaalsContact C-N 3.28Å; R236-M238 PolarHBondContact O-N 3.05Å; R236-E239 PolarHBondContact O-N 3.49Å; R236-Q240 WeakPolarHBondContact O-CB 3.32Å; R236-Q240 PolarHBondContact O-N 3.42Å
237	D	94.6	Very high	91.9	Very high	67 Å²	67	101.3 Å²	101.3	36%	0.358	51%	0.512	S	S	.	.	H	α-helix	trans	-62.6	-36.7	176.9	-67.9	-9.4	0	0	0	111.3	K233 E234 K241	K233-D237 PolarHBondContact O-N 2.95Å; E234-D237 PolarHBondContact O-N 3.04Å; D237-K241 VanDerWaalsContact O-CG 3.24Å; D237-K241 WeakPolarHBondContact O-CG 3.37Å; D237-K241 PolarHBondContact O-N 2.98Å
238	M	92.7	Very high	91.2	Very high	119 Å²	119	103.1 Å²	103.1	59%	0.586	52%	0.516	S	S	*	.	H	α-helix	trans	-72	-41.4	175.6	-72.2	-67.4	-76	0	0	112.9	E234 K235 R236 Q240 K241 H242	E234-M238 WeakPolarHBondContact O-CB 3.39Å; E234-M238 VanDerWaalsContact O-CG 3.25Å; E234-M238 WeakPolarHBondContact O-CG 3.45Å; E234-M238 PolarHBondContact O-N 3.09Å; K235-M238 PolarHBondContact O-N 2.98Å; R236-M238 VanDerWaalsContact C-N 3.28Å; R236-M238 PolarHBondContact O-N 3.05Å; M238-Q240 VanDerWaalsContact C-N 3.32Å; M238-Q240 PolarHBondContact O-N 2.84Å; M238-K241 PolarHBondContact O-N 3.46Å; M238-K241 HydrophobicContact SD-CD 4.16Å; M238-H242 WeakPolarHBondContact O-CB 3.45Å; M238-H242 PolarHBondContact O-N 2.91Å
239	E	93.4	Very high	89.9	Confident	96 Å²	96	100.4 Å²	100.4	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-39.1	173.6	-74.2	170.6	162.6	0	0	111.6	K235 R236 S243	K235-E239 WeakPolarHBondContact CE-OE1 3.44Å; K235-E239 HydrophobicContact CG-CG 4.47Å; K235-E239 IonicContact NZ-OE1 2.78Å; K235-E239 WeakPolarHBondContact O-CG 3.3Å; K235-E239 PolarHBondContact O-N 3.14Å; R236-E239 PolarHBondContact O-N 3.49Å; E239-S243 WeakPolarHBondContact O-CB 3.34Å; E239-S243 PolarHBondContact O-N 3.47Å; E239-S243 PolarHBondContact O-OG 2.91Å
240	Q	94.7	Very high	88.5	Confident	132 Å²	132	100.3 Å²	100.3	62%	0.617	51%	0.511	S	S	*	.	H	α-helix	trans	-67	-44.1	174.3	-171.9	178	3.1	0	0	112.1	R236 M238 S243 T244	R236-Q240 WeakPolarHBondContact O-CB 3.32Å; R236-Q240 PolarHBondContact O-N 3.42Å; M238-Q240 VanDerWaalsContact C-N 3.32Å; M238-Q240 PolarHBondContact O-N 2.84Å; Q240-S243 PolarHBondContact O-N 3.02Å; Q240-T244 WeakPolarHBondContact O-CB 3.33Å; Q240-T244 PolarHBondContact O-N 3.29Å; Q240-T244 PolarHBondContact O-OG1 3.09Å
241	K	92.3	Very high	87.1	Confident	122 Å²	122	103.7 Å²	103.7	53%	0.53	53%	0.529	S	S	.	.	H	α-helix	trans	-59.8	-46.7	174	-75.2	166	-173.5	168.8	0	111.6	D237 M238 S243 T244 I245	D237-K241 VanDerWaalsContact O-CG 3.24Å; D237-K241 WeakPolarHBondContact O-CG 3.37Å; D237-K241 PolarHBondContact O-N 2.98Å; M238-K241 PolarHBondContact O-N 3.46Å; M238-K241 HydrophobicContact SD-CD 4.16Å; K241-S243 PolarHBondContact O-N 2.94Å; K241-T244 PolarHBondContact O-N 3.09Å; K241-I245 WeakPolarHBondContact O-CG1 3.37Å; K241-I245 PolarHBondContact O-N 3.05Å
242	H	88.3	Confident	85.3	Confident	121 Å²	121	107.8 Å²	107.8	56%	0.56	54%	0.538	S	S	*	.	H	α-helix	trans	-55.9	-52.1	176.1	176.9	-85.4	0	0	0	111.1	M238 T244 I245 Q246	M238-H242 WeakPolarHBondContact O-CB 3.45Å; M238-H242 PolarHBondContact O-N 2.91Å; H242-T244 VanDerWaalsContact C-N 3.3Å; H242-T244 PolarHBondContact O-N 3.44Å; H242-I245 PolarHBondContact O-N 3.23Å; H242-Q246 WeakPolarHBondContact O-CB 3.2Å; H242-Q246 PolarHBondContact O-N 3.08Å
243	S	89.3	Confident	82.9	Confident	66 Å²	66	112.1 Å²	112.1	46%	0.462	56%	0.555	S	S	.	*	H	α-helix	trans	-58.9	-40.1	178.6	-54.5	0	0	0	0	112.4	E239 Q240 K241 Q246 Q247	E239-S243 WeakPolarHBondContact O-CB 3.34Å; E239-S243 PolarHBondContact O-N 3.47Å; E239-S243 PolarHBondContact O-OG 2.91Å; Q240-S243 PolarHBondContact O-N 3.02Å; K241-S243 PolarHBondContact O-N 2.94Å; S243-Q246 PolarHBondContact O-N 3.38Å; S243-Q247 WeakPolarHBondContact O-CB 3.47Å; S243-Q247 PolarHBondContact O-N 3.14Å
244	T	87.4	Confident	80.6	Confident	59 Å²	59	113.6 Å²	113.6	36%	0.362	56%	0.562	S	S	.	*	H	α-helix	trans	-66.8	-41	178	-54.4	0	0	0	0	112.1	Q240 K241 H242 K248	Q240-T244 WeakPolarHBondContact O-CB 3.33Å; Q240-T244 PolarHBondContact O-N 3.29Å; Q240-T244 PolarHBondContact O-OG1 3.09Å; K241-T244 PolarHBondContact O-N 3.09Å; H242-T244 VanDerWaalsContact C-N 3.3Å; H242-T244 PolarHBondContact O-N 3.44Å; T244-K248 WeakPolarHBondContact O-CG 3.35Å; T244-K248 PolarHBondContact O-N 3.28Å
245	I	84.9	Confident	78.4	Confident	117 Å²	117	111.2 Å²	111.2	60%	0.6	56%	0.56	S	S	*	*	H	α-helix	trans	-68.7	-43.2	176.9	-68.1	167.3	0	0	0	110.2	K241 H242 Q247 K248 A249	K241-I245 WeakPolarHBondContact O-CG1 3.37Å; K241-I245 PolarHBondContact O-N 3.05Å; H242-I245 PolarHBondContact O-N 3.23Å; I245-Q247 VanDerWaalsContact C-N 3.33Å; I245-Q247 PolarHBondContact O-N 2.86Å; I245-K248 PolarHBondContact O-N 3.43Å; I245-A249 WeakPolarHBondContact O-CB 3.45Å; I245-A249 PolarHBondContact O-N 3.29Å
246	Q	81.8	Confident	76.2	Confident	122 Å²	122	109.9 Å²	109.9	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-59.9	-42.1	176.1	-172	176.7	14.4	0	0	111.8	H242 S243 A249 A250	H242-Q246 WeakPolarHBondContact O-CB 3.2Å; H242-Q246 PolarHBondContact O-N 3.08Å; S243-Q246 PolarHBondContact O-N 3.38Å; Q246-A249 PolarHBondContact O-N 2.85Å; Q246-A250 WeakPolarHBondContact O-CB 3.3Å; Q246-A250 PolarHBondContact O-N 3.28Å
247	Q	82.1	Confident	73.9	Confident	127 Å²	127	108.5 Å²	108.5	59%	0.593	56%	0.563	S	S	*	*	H	α-helix	trans	-66.8	-39.2	175.6	-169.4	179.6	13.3	0	0	112.3	S243 I245 A250 L251	S243-Q247 WeakPolarHBondContact O-CB 3.47Å; S243-Q247 PolarHBondContact O-N 3.14Å; I245-Q247 VanDerWaalsContact C-N 3.33Å; I245-Q247 PolarHBondContact O-N 2.86Å; Q247-A250 PolarHBondContact O-N 2.97Å; Q247-L251 HydrophobicContact CG-CD1 4.06Å; Q247-L251 WeakPolarHBondContact O-CB 3.3Å; Q247-L251 WeakPolarHBondContact O-CG 3.46Å; Q247-L251 PolarHBondContact O-N 3.36Å
248	K	78.6	Confident	71.7	Confident	134 Å²	134	107 Å²	107	58%	0.583	56%	0.555	S	S	*	*	H	α-helix	trans	-62.9	-44.4	173.7	-76.3	177.1	177.5	-177.4	0	111.8	T244 I245 A250 L251 Q252	T244-K248 WeakPolarHBondContact O-CG 3.35Å; T244-K248 PolarHBondContact O-N 3.28Å; I245-K248 PolarHBondContact O-N 3.43Å; K248-A250 VanDerWaalsContact C-N 3.3Å; K248-A250 PolarHBondContact O-N 3.1Å; K248-L251 PolarHBondContact O-N 3.35Å; K248-Q252 WeakPolarHBondContact O-CB 3.42Å; K248-Q252 PolarHBondContact O-N 3.23Å
249	A	67.7	Low	69.6	Low	35 Å²	35	106.4 Å²	106.4	29%	0.289	56%	0.559	S	S	.	*	H	α-helix	trans	-64.8	-31.7	175.9	0	0	0	0	0	112.6	I245 Q246 F254	I245-A249 WeakPolarHBondContact O-CB 3.45Å; I245-A249 PolarHBondContact O-N 3.29Å; Q246-A249 PolarHBondContact O-N 2.85Å; A249-F254 HydrophobicContact CB-CE2 4.13Å; A249-F254 HydrophobicContact CB-CZ 4.32Å; A249-F254 VanDerWaalsContact O-CE2 3.23Å; A249-F254 WeakPolarHBondContact O-CE2 3.48Å
250	A	67.4	Low	67.6	Low	84 Å²	84	109.3 Å²	109.3	69%	0.694	57%	0.57	S	S	*	*	H	α-helix	trans	-78.4	-25.8	175.6	0	0	0	0	0	113.9	Q246 Q247 K248	Q246-A250 WeakPolarHBondContact O-CB 3.3Å; Q246-A250 PolarHBondContact O-N 3.28Å; Q247-A250 PolarHBondContact O-N 2.97Å; K248-A250 VanDerWaalsContact C-N 3.3Å; K248-A250 PolarHBondContact O-N 3.1Å
251	L	65.5	Low	65.6	Low	137 Å²	137	106.9 Å²	106.9	72%	0.717	56%	0.561	S	S	*	*	H	α-helix	trans	-87.6	-23.3	176.5	-72.6	169.7	0	0	0	113.1	Q247 K248 D253	Q247-L251 HydrophobicContact CG-CD1 4.06Å; Q247-L251 WeakPolarHBondContact O-CB 3.3Å; Q247-L251 WeakPolarHBondContact O-CG 3.46Å; Q247-L251 PolarHBondContact O-N 3.36Å; K248-L251 PolarHBondContact O-N 3.35Å; L251-D253 PolarHBondContact O-N 2.95Å
252	Q	55.7	Low	63.6	Low	142 Å²	142	107.7 Å²	107.7	66%	0.664	57%	0.567	S	S	*	*	S	Bend	trans	-84.8	97	169.3	-72.8	-179.4	-39.4	0	0	109	K248 F254	K248-Q252 WeakPolarHBondContact O-CB 3.42Å; K248-Q252 PolarHBondContact O-N 3.23Å; Q252-F254 PolarHBondContact O-N 3Å
253	D	44.7	Very low	62.1	Low	135 Å²	135	105.5 Å²	105.5	72%	0.722	55%	0.554	S	S	*	*			trans	-57.9	109.6	177.2	-149.4	-7.7	0	0	0	109.7	L251 S255 N256	L251-D253 PolarHBondContact O-N 2.95Å; D253-S255 PolarHBondContact O-N 3.28Å; D253-N256 PolarHBondContact O-N 3.48Å
254	F	48.7	Very low	60.6	Low	148 Å²	148	106 Å²	106	65%	0.649	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-64.7	7.3	-169.5	-89.7	-84.2	0	0	0	114.8	A249 Q252 N256	A249-F254 HydrophobicContact CB-CE2 4.13Å; A249-F254 HydrophobicContact CB-CZ 4.32Å; A249-F254 VanDerWaalsContact O-CE2 3.23Å; A249-F254 WeakPolarHBondContact O-CE2 3.48Å; Q252-F254 PolarHBondContact O-N 3Å; F254-N256 PolarHBondContact O-N 3.3Å
255	S	46.6	Very low	59.1	Low	87 Å²	87	106.4 Å²	106.4	61%	0.608	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-69.1	-15.1	169.8	64.9	0	0	0	0	113.9	D253	D253-S255 PolarHBondContact O-N 3.28Å
256	N	47.4	Very low	57.6	Low	103 Å²	103	107.4 Å²	107.4	55%	0.551	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-138.6	49.1	-175.3	-76.2	-81.4	0	0	0	114.2	D253 F254 D258 T259	D253-N256 PolarHBondContact O-N 3.48Å; F254-N256 PolarHBondContact O-N 3.3Å; N256-D258 PolarHBondContact O-N 2.75Å; N256-T259 PolarHBondContact O-OG1 2.92Å
257	D	47.3	Very low	56.5	Low	125 Å²	125	102.7 Å²	102.7	67%	0.668	54%	0.542	S	S	*	.			trans	-74.2	57.6	166.5	-168.2	26.2	0	0	0	112.3
258	D	48.8	Very low	55.2	Low	35 Å²	35	105.2 Å²	105.2	19%	0.187	56%	0.56	C	S	.	*			trans	-127	30.2	174.2	-75.4	-67.1	0	0	0	110.1	N256 S349 K351	N256-D258 PolarHBondContact O-N 2.75Å; D258-S349 PolarHBondContact OD1-OG 2.91Å; D258-K351 HydrophobicContact CB-CB 4.43Å; D258-K351 HydrophobicContact CB-CD 3.45Å; D258-K351 VanDerWaalsContact CB-CD 3.45Å; D258-K351 VanDerWaalsContact CB-CE 3.4Å; D258-K351 HydrophobicContact CB-CG 3.93Å; D258-K351 WeakPolarHBondContact O-CE 3.42Å; D258-K351 PolarHBondContact O-NZ 2.92Å
259	T	48.5	Very low	54.2	Low	108 Å²	108	103.8 Å²	103.8	66%	0.663	56%	0.559	S	S	*	*	S	Bend	trans	-128.3	37.5	-167.7	-34.2	0	0	0	0	113.9	N256	N256-T259 PolarHBondContact O-OG1 2.92Å
260	K	52.4	Low	54	Low	156 Å²	156	104 Å²	104	68%	0.678	56%	0.563	S	S	*	*			trans	-166.3	35.5	147.3	-116.9	171.2	-175.1	-72.1	0	116.4	E262	K260-E262 WeakPolarHBondContact CE-OE1 3.4Å; K260-E262 HydrophobicContact CG-CG 4.37Å; K260-E262 IonicContact NZ-OE1 3.74Å; K260-E262 PolarHBondContact NZ-OE1 3.05Å; K260-E262 IonicContact NZ-OE2 3.25Å; K260-E262 PolarHBondContact NZ-OE2 3.42Å; K260-E262 PolarHBondContact O-N 2.76Å
261	L	52.6	Low	54.3	Low	82 Å²	82	101.9 Å²	101.9	43%	0.429	54%	0.54	S	S	.	.			trans	-75.9	73.1	158.6	-83.7	162.2	0	0	0	109.4	Y263 M273 L352	L261-Y263 VanDerWaalsContact C-N 3.31Å; L261-Y263 PolarHBondContact O-N 3.36Å; L261-M273 HydrophobicContact CD1-CE 3.99Å; L261-M273 HydrophobicContact CD2-CE 3.95Å; L261-M273 HydrophobicContact CD2-CG 4.45Å; L261-M273 HydrophobicContact CG-CE 4.41Å; L261-L352 HydrophobicContact CD1-CD2 3.2Å
262	E	50.8	Low	54.9	Low	139 Å²	139	96.1 Å²	96.1	65%	0.65	51%	0.512	S	S	*	.			trans	-71.1	89.9	170.4	-77.5	171.1	-164.5	0	0	108.5	K260 N264	K260-E262 WeakPolarHBondContact CE-OE1 3.4Å; K260-E262 HydrophobicContact CG-CG 4.37Å; K260-E262 IonicContact NZ-OE1 3.74Å; K260-E262 PolarHBondContact NZ-OE1 3.05Å; K260-E262 IonicContact NZ-OE2 3.25Å; K260-E262 PolarHBondContact NZ-OE2 3.42Å; K260-E262 PolarHBondContact O-N 2.76Å; E262-N264 PolarHBondContact O-N 2.96Å
263	Y	55.9	Low	56.3	Low	75 Å²	75	90 Å²	90	29%	0.294	48%	0.484	S	S	.	.			trans	-55.6	106.7	165.4	170.7	-100.4	0	0	0	108.9	L261 V265 A272 A359 N362	L261-Y263 VanDerWaalsContact C-N 3.31Å; L261-Y263 PolarHBondContact O-N 3.36Å; Y263-V265 HydrophobicContact CD1-CG2 4.33Å; Y263-V265 HydrophobicContact CE1-CG2 3.43Å; Y263-V265 VanDerWaalsContact CE1-CG2 3.43Å; Y263-V265 HydrophobicContact CE2-CG2 4.49Å; Y263-V265 VanDerWaalsContact OH-CG2 3.3Å; Y263-V265 WeakPolarHBondContact OH-CG2 3.45Å; Y263-A272 HydrophobicContact CE2-CB 4.42Å; Y263-A359 HydrophobicContact CD2-CB 3.62Å; Y263-A359 HydrophobicContact CE2-CB 3.75Å; Y263-N362 HydrophobicContact CE1-CB 4.24Å; Y263-N362 WeakPolarHBondContact OH-CB 3.31Å
264	N	58.7	Low	58.4	Low	77 Å²	77	87.6 Å²	87.6	41%	0.412	47%	0.468	S	S	.	.			trans	-122.5	110.8	179.8	-174.4	6.7	0	0	0	109.4	E262 D266 A267	E262-N264 PolarHBondContact O-N 2.96Å; N264-D266 PolarHBondContact O-N 2.96Å; N264-D266 PolarHBondContact OD1-N 2.9Å; N264-A267 HydrophobicContact CB-CB 4.2Å
265	V	54.1	Low	60.3	Low	67 Å²	67	81 Å²	81	41%	0.406	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.9	178.2	-161.9	0	0	0	0	111.2	Y263 T366	Y263-V265 HydrophobicContact CD1-CG2 4.33Å; Y263-V265 HydrophobicContact CE1-CG2 3.43Å; Y263-V265 VanDerWaalsContact CE1-CG2 3.43Å; Y263-V265 HydrophobicContact CE2-CG2 4.49Å; Y263-V265 VanDerWaalsContact OH-CG2 3.3Å; Y263-V265 WeakPolarHBondContact OH-CG2 3.45Å; V265-T366 HydrophobicContact CG1-CG2 4.48Å
266	D	54	Low	62.4	Low	138 Å²	138	82.8 Å²	82.8	74%	0.738	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	29.3	-172.4	-50	-50.2	0	0	0	111.1	N264	N264-D266 PolarHBondContact O-N 2.96Å; N264-D266 PolarHBondContact OD1-N 2.9Å
267	A	60	Low	64.6	Low	23 Å²	23	77.9 Å²	77.9	19%	0.19	41%	0.411	C	S	.	.			trans	-69.2	131	177	0	0	0	0	0	111.1	N264 N269 G270	N264-A267 HydrophobicContact CB-CB 4.2Å; A267-N269 VanDerWaalsContact CB-OD1 3.32Å; A267-N269 WeakPolarHBondContact CB-OD1 3.37Å; A267-N269 PolarHBondContact O-N 3.18Å; A267-G270 PolarHBondContact O-N 3.46Å
268	D	53.3	Low	66.7	Low	179 Å²	179	74.6 Å²	74.6	96%	0.957	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-17.6	-176.8	-64	-43.3	0	0	0	114.7
269	N	58.6	Low	68.8	Low	105 Å²	105	74.3 Å²	74.3	56%	0.561	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-4.5	178.4	66.2	1.1	0	0	0	114.4	A267 I271	A267-N269 VanDerWaalsContact CB-OD1 3.32Å; A267-N269 WeakPolarHBondContact CB-OD1 3.37Å; A267-N269 PolarHBondContact O-N 3.18Å; N269-I271 VanDerWaalsContact C-N 3.27Å; N269-I271 PolarHBondContact O-N 3.08Å; N269-I271 PolarHBondContact OD1-N 3.4Å
270	G	63.7	Low	70.7	Confident	38 Å²	38	72.7 Å²	72.7	39%	0.392	37%	0.369	S	S	.	.	S	Bend	trans	71	13.6	-177.4	0	0	0	0	0	115.5	A267 Q296	A267-G270 PolarHBondContact O-N 3.46Å; G270-Q296 WeakPolarHBondContact O-CA 3.37Å
271	I	72.3	Confident	72	Confident	41 Å²	41	66.2 Å²	66.2	21%	0.21	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.7	179.5	-58	175.3	0	0	0	109.2	N269 E274 I295 Q296	N269-I271 VanDerWaalsContact C-N 3.27Å; N269-I271 PolarHBondContact O-N 3.08Å; N269-I271 PolarHBondContact OD1-N 3.4Å; I271-E274 HydrophobicContact CG2-CB 4.12Å; I271-E274 HydrophobicContact CG2-CG 4.38Å; I271-I295 CarbonylContact C-O 3.47Å; I271-I295 WeakPolarHBondContact CA-O 3.38Å; I271-Q296 HydrophobicContact CG1-CB 4.34Å
272	A	77.9	Confident	72.9	Confident	16 Å²	16	68.3 Å²	68.3	13%	0.132	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-26.7	-176.3	0	0	0	0	0	113.7	Y263 I295	Y263-A272 HydrophobicContact CE2-CB 4.42Å; A272-I295 HydrophobicContact CB-CB 4.4Å; A272-I295 HydrophobicContact CB-CG2 4.29Å; A272-I295 PolarHBondContact N-O 2.89Å
273	M	85.6	Confident	73.3	Confident	13 Å²	13	65.2 Å²	65.2	6%	0.064	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	144.2	174.2	-167	175.3	-172.8	0	0	109.6	L261 S294 I295 A355 W356 A359	L261-M273 HydrophobicContact CD1-CE 3.99Å; L261-M273 HydrophobicContact CD2-CE 3.95Å; L261-M273 HydrophobicContact CD2-CG 4.45Å; L261-M273 HydrophobicContact CG-CE 4.41Å; M273-S294 CarbonylContact O-C 3.5Å; M273-S294 WeakPolarHBondContact O-CA 3.47Å; M273-I295 HydrophobicContact CB-CD1 4.15Å; M273-I295 PolarHBondContact O-N 3.49Å; M273-A355 HydrophobicContact CE-CB 3.94Å; M273-W356 HydrophobicContact CB-CZ3 4.46Å; M273-W356 HydrophobicContact CE-CD2 3.74Å; M273-W356 HydrophobicContact CE-CE3 4.45Å; M273-W356 HydrophobicContact CE-CG 3.75Å; M273-W356 HydrophobicContact CE-CZ2 4.38Å; M273-W356 HydrophobicContact CG-CD2 4.49Å; M273-W356 HydrophobicContact CG-CE3 4.39Å; M273-W356 HydrophobicContact CG-CH2 4.2Å; M273-W356 HydrophobicContact CG-CZ2 4.3Å; M273-W356 HydrophobicContact CG-CZ3 4.25Å; M273-W356 HydrophobicContact SD-CD2 3.62Å; M273-W356 HydrophobicContact SD-CE3 3.72Å; M273-W356 HydrophobicContact SD-CG 4.02Å; M273-W356 HydrophobicContact SD-CZ2 4.43Å; M273-W356 HydrophobicContact SD-CZ3 4.17Å; M273-A359 HydrophobicContact CB-CB 4.22Å; M273-A359 HydrophobicContact CG-CB 4.47Å; M273-A359 HydrophobicContact SD-CB 3.41Å; M273-A359 WeakPolarHBondContact SD-CB 3.36Å
274	E	89.3	Confident	72.7	Confident	84 Å²	84	66.1 Å²	66.1	39%	0.393	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.9	168.8	62.2	171.8	176.1	0	0	112.5	I271 W292 F293	I271-E274 HydrophobicContact CG2-CB 4.12Å; I271-E274 HydrophobicContact CG2-CG 4.38Å; E274-W292 HydrophobicContact CB-CZ2 4.12Å; E274-W292 HydrophobicContact CG-CZ2 3.79Å; E274-W292 PolarHBondContact OE2-NE1 2.89Å; E274-F293 CarbonylContact C-O 3.5Å; E274-F293 WeakPolarHBondContact CA-O 3.49Å; E274-F293 WeakPolarHBondContact CB-O 3.41Å
275	G	89.4	Confident	72.3	Confident	11 Å²	11	68.3 Å²	68.3	11%	0.113	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.3	178.1	178.6	0	0	0	0	0	114	F293	G275-F293 PolarHBondContact N-O 2.9Å; G275-F293 PolarHBondContact O-N 3.28Å
276	Y	90.4	Very high	73.3	Confident	123 Å²	123	70.8 Å²	70.8	48%	0.482	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.5	175.8	-74.5	-71.8	0	0	0	112.4	R290 R291 W292	Y276-R290 HydrophobicContact CD1-CG 4.13Å; Y276-R291 WeakPolarHBondContact CA-O 3.49Å; Y276-W292 HydrophobicContact CD1-CE3 4.06Å; Y276-W292 AromaticContact CD2-CE3 3.57Å; Y276-W292 HydrophobicContact CD2-CE3 3.57Å; Y276-W292 AromaticContact CD2-CZ3 3.58Å; Y276-W292 HydrophobicContact CD2-CZ3 3.58Å; Y276-W292 HydrophobicContact CE1-CB 4.27Å; Y276-W292 AromaticContact CE1-CE3 3.98Å; Y276-W292 HydrophobicContact CE1-CE3 3.98Å; Y276-W292 AromaticContact CE2-CE3 3.47Å; Y276-W292 HydrophobicContact CE2-CE3 3.47Å; Y276-W292 VanDerWaalsContact CE2-CE3 3.47Å; Y276-W292 AromaticContact CE2-CZ3 3.54Å; Y276-W292 HydrophobicContact CE2-CZ3 3.54Å; Y276-W292 AromaticContact CG-CE3 3.86Å; Y276-W292 HydrophobicContact CG-CE3 3.86Å; Y276-W292 HydrophobicContact CG-CZ3 4.26Å; Y276-W292 AromaticContact CZ-CE3 3.68Å
277	L	92.6	Very high	74.6	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.1	164.2	-67.4	173.2	0	0	0	109.7	R290 R291 F293 F334 M345 A347 W356	L277-R290 CarbonylContact O-C 3.06Å; L277-R290 WeakPolarHBondContact O-CA 3.28Å; L277-R291 PolarHBondContact N-O 2.56Å; L277-R291 VanDerWaalsContact N-O 3.07Å; L277-R291 PolarHBondContact O-N 3.42Å; L277-F293 HydrophobicContact CB-CD2 3.66Å; L277-F293 HydrophobicContact CB-CE2 3.87Å; L277-F293 HydrophobicContact CB-CG 4.38Å; L277-F293 HydrophobicContact CD1-CB 4.35Å; L277-F293 HydrophobicContact CD1-CD2 4.25Å; L277-F293 HydrophobicContact CD1-CG 4.16Å; L277-F293 HydrophobicContact CG-CD2 4.32Å; L277-F334 HydrophobicContact CD1-CE1 4.45Å; L277-F334 HydrophobicContact CD1-CZ 3.93Å; L277-F334 HydrophobicContact CD2-CE1 4.28Å; L277-M345 HydrophobicContact CD1-SD 4.14Å; L277-A347 HydrophobicContact CD2-CB 3.78Å; L277-W356 HydrophobicContact CD1-CD2 3.75Å; L277-W356 HydrophobicContact CD1-CE3 3.91Å; L277-W356 HydrophobicContact CD1-CG 4.21Å; L277-W356 HydrophobicContact CD1-CH2 4.33Å; L277-W356 HydrophobicContact CD1-CZ2 4.19Å; L277-W356 HydrophobicContact CD1-CZ3 4.19Å; L277-W356 HydrophobicContact CD2-CD2 4.26Å; L277-W356 HydrophobicContact CD2-CG 4.07Å; L277-W356 HydrophobicContact CG-CD2 4.22Å; L277-W356 HydrophobicContact CG-CZ2 4.17Å
278	F	92.3	Very high	75.9	Confident	56 Å²	56	68.4 Å²	68.4	25%	0.246	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.3	163.4	-73.2	-97.3	0	0	0	109.3	W288 R290 M345 Q346 D348	F278-W288 HydrophobicContact CB-CE3 3.98Å; F278-R290 HydrophobicContact CD1-CB 3.86Å; F278-R290 HydrophobicContact CD1-CG 4.37Å; F278-R290 HydrophobicContact CD2-CB 4.43Å; F278-R290 HydrophobicContact CD2-CG 4.03Å; F278-R290 HydrophobicContact CE1-CB 3.68Å; F278-R290 HydrophobicContact CE1-CG 4.17Å; F278-R290 HydrophobicContact CE2-CB 4.26Å; F278-R290 HydrophobicContact CE2-CG 3.81Å; F278-R290 HydrophobicContact CG-CB 4.24Å; F278-R290 HydrophobicContact CG-CG 4.31Å; F278-R290 HydrophobicContact CZ-CB 3.88Å; F278-R290 HydrophobicContact CZ-CG 3.88Å; F278-M345 CarbonylContact O-C 3.28Å; F278-M345 VanDerWaalsContact O-CA 3.23Å; F278-M345 WeakPolarHBondContact O-CA 3.42Å; F278-Q346 HydrophobicContact CB-CB 4.11Å; F278-Q346 PolarHBondContact N-O 3.44Å; F278-Q346 PolarHBondContact O-N 3.32Å; F278-D348 WeakPolarHBondContact CE2-OD1 3.31Å
279	K	91.4	Very high	77.6	Confident	29 Å²	29	61.9 Å²	61.9	13%	0.126	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.2	169.9	81.3	173.1	-165.9	-73.9	0	111.7	W288 N289 F293 Y302 M344 M345	K279-W288 WeakPolarHBondContact O-CA 3.36Å; K279-N289 HydrophobicContact CG-CB 4.38Å; K279-N289 PolarHBondContact N-O 3.3Å; K279-N289 PolarHBondContact O-N 2.84Å; K279-F293 HydrophobicContact CB-CE2 4.33Å; K279-F293 HydrophobicContact CB-CZ 3.89Å; K279-F293 HydrophobicContact CD-CZ 4.11Å; K279-F293 HydrophobicContact CG-CZ 4.45Å; K279-Y302 HydrophobicContact CD-CD1 3.94Å; K279-Y302 HydrophobicContact CD-CE1 3.69Å; K279-Y302 PolarHBondContact NZ-OH 3.03Å; K279-M344 WeakPolarHBondContact CA-O 3.23Å; K279-M345 HydrophobicContact CB-CG 4.28Å
280	R	88.8	Confident	79.2	Confident	73 Å²	73	62.5 Å²	62.5	28%	0.275	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.9	170.1	-151.6	174.3	84.6	-175.3	-0	109.2	K286 W288 M344	R280-K286 HydrophobicContact CG-CB 4.06Å; R280-K286 WeakPolarHBondContact CG-O 3.15Å; R280-W288 HydrophobicContact CB-CD2 4.01Å; R280-W288 HydrophobicContact CB-CE3 4.04Å; R280-W288 HydrophobicContact CB-CH2 4.06Å; R280-W288 HydrophobicContact CB-CZ2 3.97Å; R280-W288 HydrophobicContact CB-CZ3 4.06Å; R280-W288 HydrophobicContact CG-CD2 4.05Å; R280-W288 HydrophobicContact CG-CG 4.46Å; R280-W288 HydrophobicContact CG-CZ2 3.99Å; R280-M344 HydrophobicContact CB-CB 3.99Å; R280-M344 HydrophobicContact CB-CG 4.45Å; R280-M344 PolarHBondContact N-O 2.95Å; R280-M344 PolarHBondContact NH1-SD 3.47Å
281	A	80.7	Confident	80.5	Confident	21 Å²	21	63.3 Å²	63.3	17%	0.174	32%	0.323	C	S	.	.			trans	-66.7	148	171.5	0	0	0	0	0	110.7	N283 T287	A281-N283 WeakPolarHBondContact CB-OD1 3.41Å; A281-N283 PolarHBondContact O-N 3.45Å; A281-T287 WeakPolarHBondContact CB-O 3.41Å; A281-T287 PolarHBondContact N-O 3.1Å
282	S	70.4	Confident	81.4	Confident	125 Å²	125	65 Å²	65	87%	0.874	33%	0.327	S	S	*	.	S	Bend	trans	-83.9	6.3	175.5	-46.8	0	0	0	0	113
283	N	60.4	Low	82.1	Confident	74 Å²	74	64.3 Å²	64.3	40%	0.396	32%	0.32	S	S	.	.	S	Bend	trans	-79.9	168.1	175.7	66	-1.9	0	0	0	111.5	A281 F285 K286	A281-N283 WeakPolarHBondContact CB-OD1 3.41Å; A281-N283 PolarHBondContact O-N 3.45Å; N283-F285 PolarHBondContact O-N 2.93Å; N283-K286 PolarHBondContact O-N 3.47Å; N283-K286 PolarHBondContact OD1-N 2.84Å
284	A	43.4	Very low	82.4	Confident	95 Å²	95	64 Å²	64	79%	0.785	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-39.3	-177.3	0	0	0	0	0	113	K286	A284-K286 VanDerWaalsContact C-N 3.27Å; A284-K286 PolarHBondContact O-N 3.38Å
285	F	50.3	Low	82.3	Confident	123 Å²	123	60.2 Å²	60.2	54%	0.539	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-12.1	178.6	-60.9	-72.5	0	0	0	115.3	N283 T287 E806	N283-F285 PolarHBondContact O-N 2.93Å; F285-T287 HydrophobicContact CB-CG2 3.73Å; F285-T287 PolarHBondContact O-N 3.08Å; F285-E806 WeakPolarHBondContact CE2-OE2 3.3Å; F285-E806 WeakPolarHBondContact CZ-OE2 3.27Å
286	K	75.4	Confident	82.2	Confident	119 Å²	119	61.9 Å²	61.9	52%	0.517	31%	0.307	S	S	.	.			trans	50.2	35.9	177.4	-63.4	168.5	-175.9	167.3	0	113.5	R280 N283 A284	R280-K286 HydrophobicContact CG-CB 4.06Å; R280-K286 WeakPolarHBondContact CG-O 3.15Å; N283-K286 PolarHBondContact O-N 3.47Å; N283-K286 PolarHBondContact OD1-N 2.84Å; A284-K286 VanDerWaalsContact C-N 3.27Å; A284-K286 PolarHBondContact O-N 3.38Å
287	T	81.3	Confident	81.6	Confident	63 Å²	63	62.3 Å²	62.3	39%	0.387	32%	0.318	S	S	.	.			trans	-69.1	140.6	-170.7	58.3	0	0	0	0	112.8	A281 F285 N289	A281-T287 WeakPolarHBondContact CB-O 3.41Å; A281-T287 PolarHBondContact N-O 3.1Å; F285-T287 HydrophobicContact CB-CG2 3.73Å; F285-T287 PolarHBondContact O-N 3.08Å; T287-N289 PolarHBondContact O-ND2 3.46Å; T287-N289 PolarHBondContact OG1-ND2 2.87Å
288	W	86.5	Confident	81.1	Confident	47 Å²	47	64.7 Å²	64.7	18%	0.178	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.3	-177.7	-72.8	89.4	0	0	0	111.8	F278 K279 R280 R330 C333 M344 Q346	F278-W288 HydrophobicContact CB-CE3 3.98Å; K279-W288 WeakPolarHBondContact O-CA 3.36Å; R280-W288 HydrophobicContact CB-CD2 4.01Å; R280-W288 HydrophobicContact CB-CE3 4.04Å; R280-W288 HydrophobicContact CB-CH2 4.06Å; R280-W288 HydrophobicContact CB-CZ2 3.97Å; R280-W288 HydrophobicContact CB-CZ3 4.06Å; R280-W288 HydrophobicContact CG-CD2 4.05Å; R280-W288 HydrophobicContact CG-CG 4.46Å; R280-W288 HydrophobicContact CG-CZ2 3.99Å; W288-R330 VanDerWaalsContact CB-NH1 3.33Å; W288-C333 VanDerWaalsContact CH2-SG 3.58Å; W288-M344 HydrophobicContact CH2-CG 3.81Å; W288-M344 HydrophobicContact CH2-SD 4.41Å; W288-M344 HydrophobicContact CZ2-CG 4.35Å; W288-M344 HydrophobicContact CZ2-SD 4.4Å; W288-Q346 HydrophobicContact CE3-CB 4.12Å; W288-Q346 HydrophobicContact CH2-CB 4Å; W288-Q346 HydrophobicContact CZ3-CB 3.51Å
289	N	88.3	Confident	80.8	Confident	43 Å²	43	64.8 Å²	64.8	23%	0.23	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	111.4	-166.5	-88	-88.4	0	0	0	110.9	K279 T287 R291	K279-N289 HydrophobicContact CG-CB 4.38Å; K279-N289 PolarHBondContact N-O 3.3Å; K279-N289 PolarHBondContact O-N 2.84Å; T287-N289 PolarHBondContact O-ND2 3.46Å; T287-N289 PolarHBondContact OG1-ND2 2.87Å; N289-R291 PolarHBondContact O-N 3.42Å; N289-R291 PolarHBondContact OD1-NH1 3.32Å; N289-R291 PolarHBondContact OD1-NH2 3.49Å
290	R	92.3	Very high	80.7	Confident	117 Å²	117	63.5 Å²	63.5	44%	0.442	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.6	174.5	-151.5	179.7	-166.7	-158.8	2.3	110.5	Y276 L277 F278 D348	Y276-R290 HydrophobicContact CD1-CG 4.13Å; L277-R290 CarbonylContact O-C 3.06Å; L277-R290 WeakPolarHBondContact O-CA 3.28Å; F278-R290 HydrophobicContact CD1-CB 3.86Å; F278-R290 HydrophobicContact CD1-CG 4.37Å; F278-R290 HydrophobicContact CD2-CB 4.43Å; F278-R290 HydrophobicContact CD2-CG 4.03Å; F278-R290 HydrophobicContact CE1-CB 3.68Å; F278-R290 HydrophobicContact CE1-CG 4.17Å; F278-R290 HydrophobicContact CE2-CB 4.26Å; F278-R290 HydrophobicContact CE2-CG 3.81Å; F278-R290 HydrophobicContact CG-CB 4.24Å; F278-R290 HydrophobicContact CG-CG 4.31Å; F278-R290 HydrophobicContact CZ-CB 3.88Å; F278-R290 HydrophobicContact CZ-CG 3.88Å; R290-D348 IonicContact CZ-OD2 3.3Å; R290-D348 IonicContact NE-OD2 3.38Å; R290-D348 IonicContact NH2-OD2 2.74Å; R290-D348 PolarHBondContact NH2-OD2 2.95Å
291	R	91.6	Very high	80.8	Confident	56 Å²	56	60.1 Å²	60.1	21%	0.211	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.2	178.4	-61.6	-64.4	-179.7	-87.4	0	109.6	Y276 L277 N289 F293 Y302	Y276-R291 WeakPolarHBondContact CA-O 3.49Å; L277-R291 PolarHBondContact N-O 2.56Å; L277-R291 VanDerWaalsContact N-O 3.07Å; L277-R291 PolarHBondContact O-N 3.42Å; N289-R291 PolarHBondContact O-N 3.42Å; N289-R291 PolarHBondContact OD1-NH1 3.32Å; N289-R291 PolarHBondContact OD1-NH2 3.49Å; R291-F293 HydrophobicContact CB-CD2 4.23Å; R291-F293 HydrophobicContact CB-CE2 3.9Å; R291-F293 WeakPolarHBondContact O-CD2 3.49Å; R291-Y302 HydrophobicContact CB-CD2 3.95Å; R291-Y302 HydrophobicContact CB-CG 4.04Å; R291-Y302 HydrophobicContact CG-CD2 3.86Å; R291-Y302 HydrophobicContact CG-CE2 4.29Å; R291-Y302 HydrophobicContact CG-CG 4.26Å
292	W	92.1	Very high	81.3	Confident	77 Å²	77	60.7 Å²	60.7	29%	0.292	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.7	169.9	-170.8	-101	0	0	0	108.2	E274 Y276 Y302 Q303	E274-W292 HydrophobicContact CB-CZ2 4.12Å; E274-W292 HydrophobicContact CG-CZ2 3.79Å; E274-W292 PolarHBondContact OE2-NE1 2.89Å; Y276-W292 HydrophobicContact CD1-CE3 4.06Å; Y276-W292 AromaticContact CD2-CE3 3.57Å; Y276-W292 HydrophobicContact CD2-CE3 3.57Å; Y276-W292 AromaticContact CD2-CZ3 3.58Å; Y276-W292 HydrophobicContact CD2-CZ3 3.58Å; Y276-W292 HydrophobicContact CE1-CB 4.27Å; Y276-W292 AromaticContact CE1-CE3 3.98Å; Y276-W292 HydrophobicContact CE1-CE3 3.98Å; Y276-W292 AromaticContact CE2-CE3 3.47Å; Y276-W292 HydrophobicContact CE2-CE3 3.47Å; Y276-W292 VanDerWaalsContact CE2-CE3 3.47Å; Y276-W292 AromaticContact CE2-CZ3 3.54Å; Y276-W292 HydrophobicContact CE2-CZ3 3.54Å; Y276-W292 AromaticContact CG-CE3 3.86Å; Y276-W292 HydrophobicContact CG-CE3 3.86Å; Y276-W292 HydrophobicContact CG-CZ3 4.26Å; Y276-W292 AromaticContact CZ-CE3 3.68Å; W292-Y302 CarbonylContact O-C 3.55Å; W292-Y302 WeakPolarHBondContact O-CA 3.34Å; W292-Y302 VanDerWaalsContact O-CB 3.29Å; W292-Y302 WeakPolarHBondContact O-CB 3.42Å; W292-Q303 PolarHBondContact N-O 3.07Å; W292-Q303 PolarHBondContact O-N 3.4Å
293	F	92.1	Very high	82.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	147	177.6	-81.9	-101.7	0	0	0	110.4	E274 G275 L277 K279 R291 L300 V301 Y302 V313 M345 W356	E274-F293 CarbonylContact C-O 3.5Å; E274-F293 WeakPolarHBondContact CA-O 3.49Å; E274-F293 WeakPolarHBondContact CB-O 3.41Å; G275-F293 PolarHBondContact N-O 2.9Å; G275-F293 PolarHBondContact O-N 3.28Å; L277-F293 HydrophobicContact CB-CD2 3.66Å; L277-F293 HydrophobicContact CB-CE2 3.87Å; L277-F293 HydrophobicContact CB-CG 4.38Å; L277-F293 HydrophobicContact CD1-CB 4.35Å; L277-F293 HydrophobicContact CD1-CD2 4.25Å; L277-F293 HydrophobicContact CD1-CG 4.16Å; L277-F293 HydrophobicContact CG-CD2 4.32Å; K279-F293 HydrophobicContact CB-CE2 4.33Å; K279-F293 HydrophobicContact CB-CZ 3.89Å; K279-F293 HydrophobicContact CD-CZ 4.11Å; K279-F293 HydrophobicContact CG-CZ 4.45Å; R291-F293 HydrophobicContact CB-CD2 4.23Å; R291-F293 HydrophobicContact CB-CE2 3.9Å; R291-F293 WeakPolarHBondContact O-CD2 3.49Å; F293-L300 HydrophobicContact CD1-CD1 3.99Å; F293-L300 HydrophobicContact CD1-CG 4.18Å; F293-L300 HydrophobicContact CE1-CG 4.48Å; F293-V301 WeakPolarHBondContact CA-O 3.32Å; F293-V301 WeakPolarHBondContact CD1-O 3.18Å; F293-Y302 HydrophobicContact CE1-CD1 4.22Å; F293-Y302 HydrophobicContact CZ-CD1 4.08Å; F293-Y302 HydrophobicContact CZ-CG 4.4Å; F293-V313 HydrophobicContact CE1-CG2 3.99Å; F293-M345 HydrophobicContact CD1-SD 4.25Å; F293-M345 HydrophobicContact CE1-SD 3.63Å; F293-M345 HydrophobicContact CZ-CG 4.39Å; F293-M345 HydrophobicContact CZ-SD 3.94Å; F293-W356 HydrophobicContact CB-CH2 3.75Å; F293-W356 HydrophobicContact CB-CZ2 4.44Å; F293-W356 HydrophobicContact CB-CZ3 4.26Å
294	S	90.6	Very high	83.4	Confident	8 Å²	8	60.1 Å²	60.1	6%	0.056	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.5	165.6	61.9	0	0	0	0	111	M273 Q296 V301	M273-S294 CarbonylContact O-C 3.5Å; M273-S294 WeakPolarHBondContact O-CA 3.47Å; S294-Q296 PolarHBondContact OG-OE1 3.36Å; S294-V301 PolarHBondContact N-O 3.4Å; S294-V301 PolarHBondContact O-N 2.95Å; S294-V301 WeakPolarHBondContact OG-CG2 3.49Å
295	I	88.9	Confident	84.9	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	112.1	168.7	-55.2	176.1	0	0	0	106.8	I271 A272 M273 Q299 L300 L317 W356 A359 V360	I271-I295 CarbonylContact C-O 3.47Å; I271-I295 WeakPolarHBondContact CA-O 3.38Å; A272-I295 HydrophobicContact CB-CB 4.4Å; A272-I295 HydrophobicContact CB-CG2 4.29Å; A272-I295 PolarHBondContact N-O 2.89Å; M273-I295 HydrophobicContact CB-CD1 4.15Å; M273-I295 PolarHBondContact O-N 3.49Å; I295-Q299 WeakPolarHBondContact CA-O 3.33Å; I295-L300 HydrophobicContact CG1-CD1 3.89Å; I295-L317 HydrophobicContact CG2-CD1 4.02Å; I295-W356 HydrophobicContact CD1-CE3 4.27Å; I295-W356 HydrophobicContact CD1-CZ3 4.06Å; I295-W356 HydrophobicContact CG1-CZ3 4.03Å; I295-A359 HydrophobicContact CD1-CB 4.04Å; I295-V360 HydrophobicContact CD1-CG2 3.68Å
296	Q	85.8	Confident	85.3	Confident	47 Å²	47	66.2 Å²	66.2	22%	0.22	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	137.5	-174.1	59.6	-174.8	49.4	0	0	109.9	G270 I271 S294 N298 Q299 V301	G270-Q296 WeakPolarHBondContact O-CA 3.37Å; I271-Q296 HydrophobicContact CG1-CB 4.34Å; S294-Q296 PolarHBondContact OG-OE1 3.36Å; Q296-N298 VanDerWaalsContact C-N 3.32Å; Q296-N298 PolarHBondContact O-N 3.46Å; Q296-Q299 PolarHBondContact N-O 3.28Å; Q296-Q299 VanDerWaalsContact N-O 3.1Å; Q296-Q299 WeakPolarHBondContact O-CA 3.49Å; Q296-Q299 WeakPolarHBondContact O-CB 3.39Å; Q296-Q299 PolarHBondContact O-N 3.31Å; Q296-V301 HydrophobicContact CG-CG1 4.49Å; Q296-V301 HydrophobicContact CG-CG2 4.01Å
297	N	78.1	Confident	84.9	Confident	132 Å²	132	68.9 Å²	68.9	71%	0.706	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	44.1	175.8	-58	-30.4	0	0	0	114.9	Q299	N297-Q299 PolarHBondContact O-N 2.88Å
298	N	82.1	Confident	84.8	Confident	50 Å²	50	68.8 Å²	68.8	27%	0.267	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	16	-175.1	-57.7	-34.3	0	0	0	115.5	Q296 L317 A367	Q296-N298 VanDerWaalsContact C-N 3.32Å; Q296-N298 PolarHBondContact O-N 3.46Å; N298-L317 WeakPolarHBondContact O-CB 3.49Å; N298-L317 WeakPolarHBondContact O-CG 3.42Å; N298-L317 PolarHBondContact O-N 3.07Å; N298-A367 HydrophobicContact CB-CB 4.1Å
299	Q	86.6	Confident	84.4	Confident	59 Å²	59	73.6 Å²	73.6	28%	0.276	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	151.4	175	-55.2	-165	-36.1	0	0	111.6	I295 Q296 N297 V301 V314 E315	I295-Q299 WeakPolarHBondContact CA-O 3.33Å; Q296-Q299 PolarHBondContact N-O 3.28Å; Q296-Q299 VanDerWaalsContact N-O 3.1Å; Q296-Q299 WeakPolarHBondContact O-CA 3.49Å; Q296-Q299 WeakPolarHBondContact O-CB 3.39Å; Q296-Q299 PolarHBondContact O-N 3.31Å; N297-Q299 PolarHBondContact O-N 2.88Å; Q299-V301 HydrophobicContact CB-CG1 4.05Å; Q299-V314 WeakPolarHBondContact CA-O 3.39Å; Q299-E315 WeakPolarHBondContact CG-O 3.39Å; Q299-E315 PolarHBondContact NE2-O 3.48Å; Q299-E315 VanDerWaalsContact NE2-O 3.15Å
300	L	89.4	Confident	84.2	Confident	1 Å²	1	74 Å²	74	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120	164.9	-177.9	68.8	0	0	0	108.2	F293 I295 V313 V314 L317 M345	F293-L300 HydrophobicContact CD1-CD1 3.99Å; F293-L300 HydrophobicContact CD1-CG 4.18Å; F293-L300 HydrophobicContact CE1-CG 4.48Å; I295-L300 HydrophobicContact CG1-CD1 3.89Å; L300-V313 HydrophobicContact CD2-CB 4.43Å; L300-V313 HydrophobicContact CD2-CG1 4.39Å; L300-V313 HydrophobicContact CG-CB 4.37Å; L300-V313 WeakPolarHBondContact O-CA 3.41Å; L300-V313 WeakPolarHBondContact O-CB 3.5Å; L300-V313 PolarHBondContact O-N 2.96Å; L300-V314 HydrophobicContact CB-CB 4.06Å; L300-V314 HydrophobicContact CB-CG2 4.31Å; L300-V314 HydrophobicContact CD2-CG2 4.45Å; L300-V314 PolarHBondContact N-O 3.28Å; L300-V314 PolarHBondContact O-N 3.3Å; L300-V314 VanDerWaalsContact O-N 3.16Å; L300-L317 HydrophobicContact CB-CD2 4.42Å; L300-M345 HydrophobicContact CD2-CE 3.78Å; L300-M345 HydrophobicContact CD2-SD 4.02Å
301	V	90.3	Very high	83.9	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.6	-176.6	-50.3	0	0	0	0	111.2	F293 S294 Q296 Q299 P310 T311 V312	F293-V301 WeakPolarHBondContact CA-O 3.32Å; F293-V301 WeakPolarHBondContact CD1-O 3.18Å; S294-V301 PolarHBondContact N-O 3.4Å; S294-V301 PolarHBondContact O-N 2.95Å; S294-V301 WeakPolarHBondContact OG-CG2 3.49Å; Q296-V301 HydrophobicContact CG-CG1 4.49Å; Q296-V301 HydrophobicContact CG-CG2 4.01Å; Q299-V301 HydrophobicContact CB-CG1 4.05Å; V301-P310 HydrophobicContact CB-CB 3.85Å; V301-P310 HydrophobicContact CG1-CB 4.42Å; V301-P310 HydrophobicContact CG2-CB 3.73Å; V301-T311 CarbonylContact C-O 3.58Å; V301-T311 VanDerWaalsContact CA-O 3.3Å; V301-T311 WeakPolarHBondContact CA-O 3.5Å; V301-V312 HydrophobicContact CG1-CB 4.49Å; V301-V312 HydrophobicContact CG1-CG2 4.08Å
302	Y	90.9	Very high	83.7	Confident	33 Å²	33	71 Å²	71	13%	0.129	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	156.9	167.7	75.4	-107.1	0	0	0	113.5	K279 R291 W292 F293 K304 T311 V313	K279-Y302 HydrophobicContact CD-CD1 3.94Å; K279-Y302 HydrophobicContact CD-CE1 3.69Å; K279-Y302 PolarHBondContact NZ-OH 3.03Å; R291-Y302 HydrophobicContact CB-CD2 3.95Å; R291-Y302 HydrophobicContact CB-CG 4.04Å; R291-Y302 HydrophobicContact CG-CD2 3.86Å; R291-Y302 HydrophobicContact CG-CE2 4.29Å; R291-Y302 HydrophobicContact CG-CG 4.26Å; W292-Y302 CarbonylContact O-C 3.55Å; W292-Y302 WeakPolarHBondContact O-CA 3.34Å; W292-Y302 VanDerWaalsContact O-CB 3.29Å; W292-Y302 WeakPolarHBondContact O-CB 3.42Å; F293-Y302 HydrophobicContact CE1-CD1 4.22Å; F293-Y302 HydrophobicContact CZ-CD1 4.08Å; F293-Y302 HydrophobicContact CZ-CG 4.4Å; Y302-K304 HydrophobicContact CE2-CG 4.29Å; Y302-T311 HydrophobicContact CE1-CG2 4.06Å; Y302-T311 HydrophobicContact CE2-CG2 4.31Å; Y302-T311 PolarHBondContact N-O 3.4Å; Y302-T311 PolarHBondContact O-N 3.33Å; Y302-V313 HydrophobicContact CD1-CG2 3.41Å; Y302-V313 VanDerWaalsContact CD1-CG2 3.41Å; Y302-V313 HydrophobicContact CE1-CG2 3.88Å; Y302-V313 HydrophobicContact CG-CG2 4.47Å
303	Q	89.3	Confident	83.2	Confident	45 Å²	45	68.1 Å²	68.1	21%	0.21	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.1	169.2	-69.7	172.1	-37.8	0	0	110.8	W292 D308 P310	W292-Q303 PolarHBondContact N-O 3.07Å; W292-Q303 PolarHBondContact O-N 3.4Å; Q303-D308 HydrophobicContact CB-CB 4.36Å; Q303-D308 HydrophobicContact CG-CB 4.45Å; Q303-D308 PolarHBondContact NE2-O 2.82Å; Q303-P310 HydrophobicContact CG-CB 4.44Å; Q303-P310 HydrophobicContact CG-CG 4.37Å
304	K	85.2	Confident	82.7	Confident	142 Å²	142	68.5 Å²	68.5	62%	0.617	34%	0.336	S	S	*	.	S	Bend	trans	-92.5	-40.5	173	-46.6	179	-177.1	174.5	0	111	Y302 D308	Y302-K304 HydrophobicContact CE2-CG 4.29Å; K304-D308 WeakPolarHBondContact CA-OD2 3.44Å; K304-D308 VanDerWaalsContact CB-OD2 3.23Å; K304-D308 WeakPolarHBondContact CB-OD2 3.44Å; K304-D308 PolarHBondContact N-OD2 3.48Å
305	K	77	Confident	82	Confident	158 Å²	158	74.7 Å²	74.7	69%	0.687	36%	0.364	S	S	*	.	S	Bend	trans	-132.5	157.4	175.8	-64	-175.7	178.6	-177	0	110.3	K307 D308	K305-K307 PolarHBondContact O-N 3.43Å; K305-D308 PolarHBondContact N-OD2 3.44Å; K305-D308 WeakPolarHBondContact O-CB 3.35Å; K305-D308 PolarHBondContact O-N 3.28Å
306	F	58.7	Low	81.7	Confident	189 Å²	189	76.6 Å²	76.6	83%	0.829	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	128.6	173.4	-175	-114.8	0	0	0	110.2
307	K	66.3	Low	81.5	Confident	175 Å²	175	74.4 Å²	74.4	76%	0.761	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	7.2	-170.9	-50.6	-179.4	178.8	180	0	117.6	K305	K305-K307 PolarHBondContact O-N 3.43Å
308	D	78.6	Confident	81.7	Confident	60 Å²	60	72.7 Å²	72.7	32%	0.321	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-65.2	147	165	-75.2	-15.5	0	0	0	110.8	Q303 K304 K305	Q303-D308 HydrophobicContact CB-CB 4.36Å; Q303-D308 HydrophobicContact CG-CB 4.45Å; Q303-D308 PolarHBondContact NE2-O 2.82Å; K304-D308 WeakPolarHBondContact CA-OD2 3.44Å; K304-D308 VanDerWaalsContact CB-OD2 3.23Å; K304-D308 WeakPolarHBondContact CB-OD2 3.44Å; K304-D308 PolarHBondContact N-OD2 3.48Å; K305-D308 PolarHBondContact N-OD2 3.44Å; K305-D308 WeakPolarHBondContact O-CB 3.35Å; K305-D308 PolarHBondContact O-N 3.28Å
309	N	78.8	Confident	81.5	Confident	148 Å²	148	75.7 Å²	75.7	79%	0.791	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-60	128.1	167.1	-74.2	-21.4	0	0	0	109.6	T311	N309-T311 PolarHBondContact O-N 3.19Å
310	P	84.3	Confident	81.4	Confident	53 Å²	53	73.1 Å²	73.1	34%	0.344	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-58.7	123.7	-179.7	-23	32.4	0	0	0	111.6	V301 Q303 V312	V301-P310 HydrophobicContact CB-CB 3.85Å; V301-P310 HydrophobicContact CG1-CB 4.42Å; V301-P310 HydrophobicContact CG2-CB 3.73Å; Q303-P310 HydrophobicContact CG-CB 4.44Å; Q303-P310 HydrophobicContact CG-CG 4.37Å; P310-V312 PolarHBondContact O-N 3.18Å
311	T	86.3	Confident	81.2	Confident	59 Å²	59	77 Å²	77	36%	0.362	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	116.3	173.8	-55	0	0	0	0	108.8	V301 Y302 N309 V313	V301-T311 CarbonylContact C-O 3.58Å; V301-T311 VanDerWaalsContact CA-O 3.3Å; V301-T311 WeakPolarHBondContact CA-O 3.5Å; Y302-T311 HydrophobicContact CE1-CG2 4.06Å; Y302-T311 HydrophobicContact CE2-CG2 4.31Å; Y302-T311 PolarHBondContact N-O 3.4Å; Y302-T311 PolarHBondContact O-N 3.33Å; N309-T311 PolarHBondContact O-N 3.19Å; T311-V313 PolarHBondContact O-N 3.47Å
312	V	85.7	Confident	81.2	Confident	50 Å²	50	77.9 Å²	77.9	30%	0.303	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	118.4	177.7	-174.9	0	0	0	0	110.2	V301 P310 V314 E315	V301-V312 HydrophobicContact CG1-CB 4.49Å; V301-V312 HydrophobicContact CG1-CG2 4.08Å; P310-V312 PolarHBondContact O-N 3.18Å; V312-V314 VanDerWaalsContact CG1-C 3.47Å; V312-V314 WeakPolarHBondContact CG1-O 3.5Å; V312-E315 HydrophobicContact CG1-CB 4.29Å; V312-E315 HydrophobicContact CG1-CG 3.68Å
313	V	82.1	Confident	81	Confident	17 Å²	17	81.2 Å²	81.2	10%	0.103	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-44.5	174.4	-173.6	0	0	0	0	109.6	F293 L300 Y302 T311 C343	F293-V313 HydrophobicContact CE1-CG2 3.99Å; L300-V313 HydrophobicContact CD2-CB 4.43Å; L300-V313 HydrophobicContact CD2-CG1 4.39Å; L300-V313 HydrophobicContact CG-CB 4.37Å; L300-V313 WeakPolarHBondContact O-CA 3.41Å; L300-V313 WeakPolarHBondContact O-CB 3.5Å; L300-V313 PolarHBondContact O-N 2.96Å; Y302-V313 HydrophobicContact CD1-CG2 3.41Å; Y302-V313 VanDerWaalsContact CD1-CG2 3.41Å; Y302-V313 HydrophobicContact CE1-CG2 3.88Å; Y302-V313 HydrophobicContact CG-CG2 4.47Å; T311-V313 PolarHBondContact O-N 3.47Å; V313-C343 HydrophobicContact CG1-CB 3.74Å; V313-C343 VanDerWaalsContact CG1-SG 3.5Å
314	V	82.7	Confident	80.7	Confident	7 Å²	7	83.8 Å²	83.8	4%	0.042	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	118.7	178.7	177.8	0	0	0	0	108.3	Q299 L300 V312 D316 L317 C320 V336	Q299-V314 WeakPolarHBondContact CA-O 3.39Å; L300-V314 HydrophobicContact CB-CB 4.06Å; L300-V314 HydrophobicContact CB-CG2 4.31Å; L300-V314 HydrophobicContact CD2-CG2 4.45Å; L300-V314 PolarHBondContact N-O 3.28Å; L300-V314 PolarHBondContact O-N 3.3Å; L300-V314 VanDerWaalsContact O-N 3.16Å; V312-V314 VanDerWaalsContact CG1-C 3.47Å; V312-V314 WeakPolarHBondContact CG1-O 3.5Å; V314-D316 WeakPolarHBondContact CG1-O 3.5Å; V314-L317 HydrophobicContact CB-CD2 4.46Å; V314-L317 HydrophobicContact CG1-CD2 4.06Å; V314-L317 HydrophobicContact CG1-CG 4.3Å; V314-C320 WeakPolarHBondContact CG1-SG 3.44Å; V314-V336 HydrophobicContact CG2-CG1 4.22Å
315	E	75.8	Confident	80.3	Confident	138 Å²	138	78 Å²	78	65%	0.645	39%	0.385	S	S	*	.	S	Bend	trans	-75.8	-27.3	-178.9	-70.8	165.9	-157.8	0	0	113.3	Q299 V312	Q299-E315 WeakPolarHBondContact CG-O 3.39Å; Q299-E315 PolarHBondContact NE2-O 3.48Å; Q299-E315 VanDerWaalsContact NE2-O 3.15Å; V312-E315 HydrophobicContact CG1-CB 4.29Å; V312-E315 HydrophobicContact CG1-CG 3.68Å
316	D	80.9	Confident	79.8	Confident	44 Å²	44	77.8 Å²	77.8	24%	0.235	39%	0.387	C	S	.	.			trans	-148.1	109.8	177.8	-171.2	-12.2	0	0	0	110.4	V314 R318 C320	V314-D316 WeakPolarHBondContact CG1-O 3.5Å; D316-R318 VanDerWaalsContact CG-NE 3.33Å; D316-R318 PolarHBondContact O-N 3.36Å; D316-R318 WeakPolarHBondContact OD1-CB 3.19Å; D316-R318 WeakPolarHBondContact OD1-CG 3.31Å; D316-R318 IonicContact OD1-CZ 2.85Å; D316-R318 PolarHBondContact OD1-N 3.29Å; D316-R318 IonicContact OD1-NE 3.41Å; D316-R318 PolarHBondContact OD1-NE 3.37Å; D316-R318 IonicContact OD1-NH2 3.56Å; D316-R318 IonicContact OD2-CZ 3.79Å; D316-R318 IonicContact OD2-NE 2.69Å; D316-R318 PolarHBondContact OD2-NE 2.88Å; D316-R318 IonicContact OD2-NH2 2.7Å; D316-R318 PolarHBondContact OD2-NH2 3.35Å; D316-C320 PolarHBondContact O-SG 3.38Å
317	L	82.9	Confident	79.8	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-65.4	-21.9	176.8	-77.4	168.7	0	0	0	112.9	I295 N298 L300 V314 L319 C320 V360 I364	I295-L317 HydrophobicContact CG2-CD1 4.02Å; N298-L317 WeakPolarHBondContact O-CB 3.49Å; N298-L317 WeakPolarHBondContact O-CG 3.42Å; N298-L317 PolarHBondContact O-N 3.07Å; L300-L317 HydrophobicContact CB-CD2 4.42Å; V314-L317 HydrophobicContact CB-CD2 4.46Å; V314-L317 HydrophobicContact CG1-CD2 4.06Å; V314-L317 HydrophobicContact CG1-CG 4.3Å; L317-L319 PolarHBondContact O-N 2.98Å; L317-L319 VanDerWaalsContact O-N 3.11Å; L317-C320 HydrophobicContact CD2-CB 4.46Å; L317-C320 VanDerWaalsContact O-CB 3.3Å; L317-C320 WeakPolarHBondContact O-CB 3.28Å; L317-C320 PolarHBondContact O-N 3.4Å; L317-V360 HydrophobicContact CD2-CG1 4.04Å; L317-I364 HydrophobicContact CB-CG1 4.08Å; L317-I364 HydrophobicContact CD2-CG1 4.37Å; L317-I364 WeakPolarHBondContact O-CG1 3.49Å
318	R	81.5	Confident	79.9	Confident	97 Å²	97	71 Å²	71	37%	0.366	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-55	-36.2	-178.7	-66.5	177	-68.9	-156.5	-1.3	113.1	D316 C320 A367 F368	D316-R318 VanDerWaalsContact CG-NE 3.33Å; D316-R318 PolarHBondContact O-N 3.36Å; D316-R318 WeakPolarHBondContact OD1-CB 3.19Å; D316-R318 WeakPolarHBondContact OD1-CG 3.31Å; D316-R318 IonicContact OD1-CZ 2.85Å; D316-R318 PolarHBondContact OD1-N 3.29Å; D316-R318 IonicContact OD1-NE 3.41Å; D316-R318 PolarHBondContact OD1-NE 3.37Å; D316-R318 IonicContact OD1-NH2 3.56Å; D316-R318 IonicContact OD2-CZ 3.79Å; D316-R318 IonicContact OD2-NE 2.69Å; D316-R318 PolarHBondContact OD2-NE 2.88Å; D316-R318 IonicContact OD2-NH2 2.7Å; D316-R318 PolarHBondContact OD2-NH2 3.35Å; R318-C320 VanDerWaalsContact C-N 3.27Å; R318-C320 PolarHBondContact O-N 3.49Å; R318-A367 WeakPolarHBondContact CD-O 3.39Å; R318-A367 HydrophobicContact CG-CB 3.28Å; R318-A367 WeakPolarHBondContact CG-O 3.5Å; R318-F368 WeakPolarHBondContact O-CE2 3.25Å; R318-F368 WeakPolarHBondContact O-CZ 3.37Å
319	L	77.5	Confident	79.4	Confident	113 Å²	113	78 Å²	78	59%	0.592	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-90.8	11.6	-177.3	-55.3	-177.8	0	0	0	113.1	L317 P339	L317-L319 PolarHBondContact O-N 2.98Å; L317-L319 VanDerWaalsContact O-N 3.11Å; L319-P339 HydrophobicContact CB-CG 3.73Å; L319-P339 HydrophobicContact CD1-CG 4.23Å; L319-P339 WeakPolarHBondContact O-CD 3.33Å
320	C	85.3	Confident	79.7	Confident	5 Å²	5	76.1 Å²	76.1	3%	0.034	38%	0.379	C	S	.	.			trans	-103.4	154.8	-173.5	-62.9	0	0	0	0	113.7	V314 D316 L317 R318 V336 V337 S338 I364	V314-C320 WeakPolarHBondContact CG1-SG 3.44Å; D316-C320 PolarHBondContact O-SG 3.38Å; L317-C320 HydrophobicContact CD2-CB 4.46Å; L317-C320 VanDerWaalsContact O-CB 3.3Å; L317-C320 WeakPolarHBondContact O-CB 3.28Å; L317-C320 PolarHBondContact O-N 3.4Å; R318-C320 VanDerWaalsContact C-N 3.27Å; R318-C320 PolarHBondContact O-N 3.49Å; C320-V336 HydrophobicContact CB-CG1 4.13Å; C320-V337 CarbonylContact C-O 3.58Å; C320-V337 WeakPolarHBondContact CA-O 3.42Å; C320-S338 WeakPolarHBondContact SG-CB 3.44Å; C320-I364 HydrophobicContact CB-CD1 4.25Å
321	T	85.9	Confident	79.9	Confident	83 Å²	83	82.7 Å²	82.7	51%	0.509	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.2	169.2	56.4	0	0	0	0	110	V337	T321-V337 PolarHBondContact N-O 2.87Å; T321-V337 PolarHBondContact O-N 2.98Å
322	V	89.6	Confident	80.1	Confident	19 Å²	19	82.3 Å²	82.3	12%	0.115	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.2	177.2	-166.7	0	0	0	0	109.1	F334 E335 V336 I357 V360 Q361 I364	V322-F334 HydrophobicContact CG1-CD2 4.04Å; V322-E335 CarbonylContact C-O 3.56Å; V322-E335 WeakPolarHBondContact CA-O 3.36Å; V322-V336 HydrophobicContact CG1-CG2 4.36Å; V322-V336 HydrophobicContact CG2-CG2 4.32Å; V322-I357 HydrophobicContact CG1-CB 4.4Å; V322-I357 HydrophobicContact CG1-CG1 4.08Å; V322-I357 HydrophobicContact CG1-CG2 4.04Å; V322-V360 HydrophobicContact CG2-CB 4.01Å; V322-V360 HydrophobicContact CG2-CG1 3.47Å; V322-V360 VanDerWaalsContact CG2-CG1 3.47Å; V322-Q361 HydrophobicContact CB-CG 4.13Å; V322-Q361 HydrophobicContact CG2-CG 3.91Å; V322-I364 HydrophobicContact CG2-CD1 3.78Å
323	K	86.1	Confident	80.4	Confident	104 Å²	104	80 Å²	80	45%	0.452	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.1	178	-65.1	-178.7	-177.4	171.6	0	111	F334 E335 V337	K323-F334 WeakPolarHBondContact O-CA 3.49Å; K323-E335 HydrophobicContact CB-CB 4.4Å; K323-E335 PolarHBondContact N-O 3.11Å; K323-E335 PolarHBondContact O-N 2.95Å; K323-V337 HydrophobicContact CD-CG2 3.84Å; K323-V337 HydrophobicContact CG-CG2 4.2Å
324	H	83.3	Confident	80.8	Confident	98 Å²	98	79.3 Å²	79.3	45%	0.454	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.4	166.4	-62	72.4	0	0	0	107.6
325	C	77.7	Confident	81.2	Confident	20 Å²	20	80.7 Å²	80.7	14%	0.135	38%	0.378	C	S	.	.			trans	-114.3	93	-178.8	-68.3	0	0	0	0	108.9	I328 C333 E335	C325-I328 HydrophobicContact CB-CD1 3.79Å; C325-I328 HydrophobicContact CB-CG1 4.22Å; C325-C333 HydrophobicContact CB-CB 4.13Å; C325-E335 VanDerWaalsContact SG-CB 3.54Å
326	E	65.6	Low	81.9	Confident	155 Å²	155	74.1 Å²	74.1	72%	0.724	35%	0.347	S	S	*	.			trans	-92.1	-29.7	-179	-61.8	-177.2	178.7	0	0	111.5	I328	E326-I328 PolarHBondContact O-N 2.84Å
327	D	59.2	Low	82.2	Confident	170 Å²	170	73.5 Å²	73.5	91%	0.909	35%	0.345	S	S	*	.	S	Bend	trans	-80.5	24.9	-177.9	-51.4	-56.9	0	0	0	114.8
328	I	68.9	Low	82.2	Confident	50 Å²	50	74.4 Å²	74.4	26%	0.256	35%	0.352	S	S	.	.	S	Bend	trans	-125.1	134.1	-174.7	-54.2	-171.4	0	0	0	110.1	C325 E326 R330 M344	C325-I328 HydrophobicContact CB-CD1 3.79Å; C325-I328 HydrophobicContact CB-CG1 4.22Å; E326-I328 PolarHBondContact O-N 2.84Å; I328-R330 PolarHBondContact O-N 3.44Å; I328-M344 HydrophobicContact CD1-CE 3.3Å; I328-M344 HydrophobicContact CD1-SD 3.37Å; I328-M344 WeakPolarHBondContact CD1-SD 3.43Å
329	E	67.5	Low	82.1	Confident	207 Å²	207	74.5 Å²	74.5	97%	0.967	37%	0.365	S	S	*	.	S	Bend	trans	-52.7	-18.8	-174.2	-60.7	177.1	158.4	0	0	115.8
330	R	84.7	Confident	82	Confident	110 Å²	110	75 Å²	75	42%	0.415	37%	0.373	S	S	.	.	S	Bend	trans	-100.9	125.4	-178.5	-70.5	-166	177.9	-150	-0.9	112	W288 I328 C333	W288-R330 VanDerWaalsContact CB-NH1 3.33Å; I328-R330 PolarHBondContact O-N 3.44Å; R330-C333 PolarHBondContact O-SG 3.44Å
331	R	88.9	Confident	81.6	Confident	190 Å²	190	80 Å²	80	72%	0.717	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	151.1	172.5	-59.6	-171.9	-61.5	161.1	2.7	112	C333 Q346	R331-C333 VanDerWaalsContact C-N 3.33Å; R331-C333 PolarHBondContact O-N 3.19Å; R331-Q346 WeakPolarHBondContact O-CG 3.32Å; R331-Q346 PolarHBondContact O-NE2 2.9Å
332	F	90.5	Very high	81.5	Confident	52 Å²	52	78.5 Å²	78.5	23%	0.228	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	25.8	174	-40.1	-45.5	0	0	0	116	A347 E350 R353	F332-A347 WeakPolarHBondContact CB-O 3.18Å; F332-A347 PolarHBondContact O-N 2.89Å; F332-E350 HydrophobicContact CD1-CB 3.94Å; F332-E350 HydrophobicContact CE1-CB 3.77Å; F332-R353 VanDerWaalsContact C-CD 3.5Å; F332-R353 HydrophobicContact CB-CB 4.39Å; F332-R353 WeakPolarHBondContact O-CD 3.49Å
333	C	91.1	Very high	81.4	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.014	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	150.3	176.6	-67.6	0	0	0	0	113.5	W288 C325 R330 R331 M345	W288-C333 VanDerWaalsContact CH2-SG 3.58Å; C325-C333 HydrophobicContact CB-CB 4.13Å; R330-C333 PolarHBondContact O-SG 3.44Å; R331-C333 VanDerWaalsContact C-N 3.33Å; R331-C333 PolarHBondContact O-N 3.19Å; C333-M345 CarbonylContact C-O 3.55Å; C333-M345 VanDerWaalsContact CA-O 3.29Å; C333-M345 WeakPolarHBondContact CA-O 3.48Å
334	F	92.2	Very high	81.5	Confident	1 Å²	1	74 Å²	74	0%	0.004	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	158.5	168.5	67.5	-79.9	0	0	0	110	L277 V322 K323 V336 M345 R353 W356 I357	L277-F334 HydrophobicContact CD1-CE1 4.45Å; L277-F334 HydrophobicContact CD1-CZ 3.93Å; L277-F334 HydrophobicContact CD2-CE1 4.28Å; V322-F334 HydrophobicContact CG1-CD2 4.04Å; K323-F334 WeakPolarHBondContact O-CA 3.49Å; F334-V336 HydrophobicContact CD2-CG2 4.31Å; F334-V336 HydrophobicContact CE2-CG2 4.2Å; F334-M345 HydrophobicContact CD1-CB 4.36Å; F334-M345 HydrophobicContact CD2-CE 4.4Å; F334-M345 HydrophobicContact CE1-CB 3.9Å; F334-M345 HydrophobicContact CE2-CB 4.2Å; F334-M345 HydrophobicContact CE2-CE 3.72Å; F334-M345 HydrophobicContact CZ-CB 3.81Å; F334-M345 HydrophobicContact CZ-CE 4.22Å; F334-M345 HydrophobicContact CZ-SD 4.47Å; F334-M345 PolarHBondContact N-O 3.03Å; F334-M345 PolarHBondContact O-N 3.45Å; F334-R353 HydrophobicContact CD1-CG 4.11Å; F334-W356 HydrophobicContact CE1-CB 4.25Å; F334-W356 HydrophobicContact CZ-CB 3.89Å; F334-I357 HydrophobicContact CB-CD1 3.79Å; F334-I357 HydrophobicContact CB-CG1 3.85Å; F334-I357 HydrophobicContact CD1-CG1 4.42Å; F334-I357 HydrophobicContact CD2-CG1 3.97Å; F334-I357 HydrophobicContact CG-CD1 4.29Å; F334-I357 HydrophobicContact CG-CG1 3.85Å
335	E	90.3	Very high	81.9	Confident	36 Å²	36	69.4 Å²	69.4	17%	0.168	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.6	-178	-177.4	-178.6	-130.5	0	0	110.3	V322 K323 C325 V337 S342 C343 M344	V322-E335 CarbonylContact C-O 3.56Å; V322-E335 WeakPolarHBondContact CA-O 3.36Å; K323-E335 HydrophobicContact CB-CB 4.4Å; K323-E335 PolarHBondContact N-O 3.11Å; K323-E335 PolarHBondContact O-N 2.95Å; C325-E335 VanDerWaalsContact SG-CB 3.54Å; E335-V337 HydrophobicContact CG-CG2 3.86Å; E335-S342 VanDerWaalsContact CG-OG 3.3Å; E335-S342 WeakPolarHBondContact CG-OG 3.49Å; E335-S342 PolarHBondContact OE1-OG 3.13Å; E335-C343 WeakPolarHBondContact CA-O 3.3Å; E335-M344 HydrophobicContact CB-CE 4.36Å; E335-M344 HydrophobicContact CG-CE 4.42Å
336	V	90.6	Very high	82.6	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112	171.2	178.6	0	0	0	0	107.8	V314 C320 V322 F334 C343 M345 V360	V314-V336 HydrophobicContact CG2-CG1 4.22Å; C320-V336 HydrophobicContact CB-CG1 4.13Å; V322-V336 HydrophobicContact CG1-CG2 4.36Å; V322-V336 HydrophobicContact CG2-CG2 4.32Å; F334-V336 HydrophobicContact CD2-CG2 4.31Å; F334-V336 HydrophobicContact CE2-CG2 4.2Å; V336-C343 PolarHBondContact N-O 2.79Å; V336-C343 PolarHBondContact O-N 2.84Å; V336-M345 HydrophobicContact CB-CE 3.85Å; V336-M345 HydrophobicContact CG2-CE 3.37Å; V336-V360 HydrophobicContact CG2-CG1 4.11Å
337	V	86.7	Confident	83.9	Confident	31 Å²	31	62.5 Å²	62.5	19%	0.188	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.9	-175.7	-168.4	0	0	0	0	109.2	C320 T321 K323 E335	C320-V337 CarbonylContact C-O 3.58Å; C320-V337 WeakPolarHBondContact CA-O 3.42Å; T321-V337 PolarHBondContact N-O 2.87Å; T321-V337 PolarHBondContact O-N 2.98Å; K323-V337 HydrophobicContact CD-CG2 3.84Å; K323-V337 HydrophobicContact CG-CG2 4.2Å; E335-V337 HydrophobicContact CG-CG2 3.86Å
338	S	83.8	Confident	85.2	Confident	20 Å²	20	57.9 Å²	57.9	14%	0.14	29%	0.288	C	S	.	.			trans	-106	171.9	168	90.7	0	0	0	0	110.5	C320 T340 K341	C320-S338 WeakPolarHBondContact SG-CB 3.44Å; S338-T340 PolarHBondContact O-N 2.93Å; S338-T340 PolarHBondContact OG-N 3.46Å; S338-K341 PolarHBondContact N-O 3.4Å; S338-K341 PolarHBondContact OG-N 3.3Å; S338-K341 VanDerWaalsContact OG-N 3.07Å; S338-K341 PolarHBondContact OG-O 2.65Å; S338-K341 VanDerWaalsContact OG-O 3.12Å
339	P	79	Confident	86.1	Confident	99 Å²	99	56.8 Å²	56.8	64%	0.643	29%	0.285	S	S	*	.	S	Bend	trans	-63.8	-21.1	179.5	-22.3	34.8	0	0	0	114.4	L319	L319-P339 HydrophobicContact CB-CG 3.73Å; L319-P339 HydrophobicContact CD1-CG 4.23Å; L319-P339 WeakPolarHBondContact O-CD 3.33Å
340	T	74.8	Confident	87	Confident	124 Å²	124	49.8 Å²	49.8	76%	0.761	25%	0.252	S	S	*	.	S	Bend	trans	-118.2	-18	-174.5	56.7	0	0	0	0	113.9	S338	S338-T340 PolarHBondContact O-N 2.93Å; S338-T340 PolarHBondContact OG-N 3.46Å
341	K	77.9	Confident	86.9	Confident	108 Å²	108	49.4 Å²	49.4	47%	0.47	25%	0.253	S	S	.	.			trans	-145.6	140.2	-176.1	-65.8	177.5	-176.2	163.2	0	110.6	S338	S338-K341 PolarHBondContact N-O 3.4Å; S338-K341 PolarHBondContact OG-N 3.3Å; S338-K341 VanDerWaalsContact OG-N 3.07Å; S338-K341 PolarHBondContact OG-O 2.65Å; S338-K341 VanDerWaalsContact OG-O 3.12Å
342	S	83.2	Confident	86.9	Confident	52 Å²	52	41.8 Å²	41.8	36%	0.364	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.1	164.3	-151.6	0	0	0	0	109.3	E335	E335-S342 VanDerWaalsContact CG-OG 3.3Å; E335-S342 WeakPolarHBondContact CG-OG 3.49Å; E335-S342 PolarHBondContact OE1-OG 3.13Å
343	C	86.6	Confident	86.8	Confident	15 Å²	15	40.7 Å²	40.7	10%	0.101	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117	179.3	-172.1	0	0	0	0	110.4	V313 E335 V336	V313-C343 HydrophobicContact CG1-CB 3.74Å; V313-C343 VanDerWaalsContact CG1-SG 3.5Å; E335-C343 WeakPolarHBondContact CA-O 3.3Å; V336-C343 PolarHBondContact N-O 2.79Å; V336-C343 PolarHBondContact O-N 2.84Å
344	M	89.4	Confident	86.7	Confident	15 Å²	15	45.8 Å²	45.8	7%	0.074	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129	179.4	-170.9	168.1	-76.3	0	0	110.4	K279 R280 W288 I328 E335	K279-M344 WeakPolarHBondContact CA-O 3.23Å; R280-M344 HydrophobicContact CB-CB 3.99Å; R280-M344 HydrophobicContact CB-CG 4.45Å; R280-M344 PolarHBondContact N-O 2.95Å; R280-M344 PolarHBondContact NH1-SD 3.47Å; W288-M344 HydrophobicContact CH2-CG 3.81Å; W288-M344 HydrophobicContact CH2-SD 4.41Å; W288-M344 HydrophobicContact CZ2-CG 4.35Å; W288-M344 HydrophobicContact CZ2-SD 4.4Å; I328-M344 HydrophobicContact CD1-CE 3.3Å; I328-M344 HydrophobicContact CD1-SD 3.37Å; I328-M344 WeakPolarHBondContact CD1-SD 3.43Å; E335-M344 HydrophobicContact CB-CE 4.36Å; E335-M344 HydrophobicContact CG-CE 4.42Å
345	M	92.1	Very high	86.4	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.4	-171.9	-69.3	173.8	-73.2	0	0	111.2	L277 F278 K279 F293 L300 C333 F334 V336	L277-M345 HydrophobicContact CD1-SD 4.14Å; F278-M345 CarbonylContact O-C 3.28Å; F278-M345 VanDerWaalsContact O-CA 3.23Å; F278-M345 WeakPolarHBondContact O-CA 3.42Å; K279-M345 HydrophobicContact CB-CG 4.28Å; F293-M345 HydrophobicContact CD1-SD 4.25Å; F293-M345 HydrophobicContact CE1-SD 3.63Å; F293-M345 HydrophobicContact CZ-CG 4.39Å; F293-M345 HydrophobicContact CZ-SD 3.94Å; L300-M345 HydrophobicContact CD2-CE 3.78Å; L300-M345 HydrophobicContact CD2-SD 4.02Å; C333-M345 CarbonylContact C-O 3.55Å; C333-M345 VanDerWaalsContact CA-O 3.29Å; C333-M345 WeakPolarHBondContact CA-O 3.48Å; F334-M345 HydrophobicContact CD1-CB 4.36Å; F334-M345 HydrophobicContact CD2-CE 4.4Å; F334-M345 HydrophobicContact CE1-CB 3.9Å; F334-M345 HydrophobicContact CE2-CB 4.2Å; F334-M345 HydrophobicContact CE2-CE 3.72Å; F334-M345 HydrophobicContact CZ-CB 3.81Å; F334-M345 HydrophobicContact CZ-CE 4.22Å; F334-M345 HydrophobicContact CZ-SD 4.47Å; F334-M345 PolarHBondContact N-O 3.03Å; F334-M345 PolarHBondContact O-N 3.45Å; V336-M345 HydrophobicContact CB-CE 3.85Å; V336-M345 HydrophobicContact CG2-CE 3.37Å
346	Q	92.4	Very high	86.4	Confident	29 Å²	29	45.8 Å²	45.8	14%	0.136	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129.7	-178.1	171.7	-178.5	25.6	0	0	108.5	F278 W288 R331	F278-Q346 HydrophobicContact CB-CB 4.11Å; F278-Q346 PolarHBondContact N-O 3.44Å; F278-Q346 PolarHBondContact O-N 3.32Å; W288-Q346 HydrophobicContact CE3-CB 4.12Å; W288-Q346 HydrophobicContact CH2-CB 4Å; W288-Q346 HydrophobicContact CZ3-CB 3.51Å; R331-Q346 WeakPolarHBondContact O-CG 3.32Å; R331-Q346 PolarHBondContact O-NE2 2.9Å
347	A	92.4	Very high	86.3	Confident	1 Å²	1	46 Å²	46	1%	0.008	25%	0.251	C	S	.	.			trans	-95.7	163.5	174	0	0	0	0	0	111.5	L277 F332 L352 R353	L277-A347 HydrophobicContact CD2-CB 3.78Å; F332-A347 WeakPolarHBondContact CB-O 3.18Å; F332-A347 PolarHBondContact O-N 2.89Å; A347-L352 HydrophobicContact CB-CB 4.01Å; A347-R353 HydrophobicContact CB-CB 4.04Å
348	D	87.3	Confident	86.4	Confident	72 Å²	72	50.8 Å²	50.8	39%	0.385	27%	0.27	S	S	.	.	S	Bend	trans	-81.9	-17.7	-176.1	-64.5	-26.3	0	0	0	113.1	F278 R290 L352	F278-D348 WeakPolarHBondContact CE2-OD1 3.31Å; R290-D348 IonicContact CZ-OD2 3.3Å; R290-D348 IonicContact NE-OD2 3.38Å; R290-D348 IonicContact NH2-OD2 2.74Å; R290-D348 PolarHBondContact NH2-OD2 2.95Å; D348-L352 HydrophobicContact CB-CD1 4.01Å
349	S	86.3	Confident	86.5	Confident	27 Å²	27	49.9 Å²	49.9	19%	0.189	26%	0.263	C	S	.	.	S	Bend	trans	-141.1	164	174.8	93	0	0	0	0	112	D258 K351 L352 R353	D258-S349 PolarHBondContact OD1-OG 2.91Å; S349-K351 PolarHBondContact OG-N 2.9Å; S349-L352 PolarHBondContact O-N 3.15Å; S349-L352 WeakPolarHBondContact OG-CB 3.48Å; S349-L352 WeakPolarHBondContact OG-CG 3.5Å; S349-L352 PolarHBondContact OG-N 3.36Å; S349-R353 WeakPolarHBondContact O-CB 3.3Å; S349-R353 PolarHBondContact O-N 3.42Å
350	E	86.1	Confident	86.9	Confident	60 Å²	60	45.2 Å²	45.2	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-66.1	-36.5	174.3	177.7	53.4	-156.3	0	0	112.3	F332 R353 Q354	F332-E350 HydrophobicContact CD1-CB 3.94Å; F332-E350 HydrophobicContact CE1-CB 3.77Å; E350-R353 WeakPolarHBondContact O-CB 3.12Å; E350-R353 PolarHBondContact O-N 3.16Å; E350-R353 IonicContact OE1-CZ 3.86Å; E350-R353 IonicContact OE1-NE 2.83Å; E350-R353 PolarHBondContact OE1-NE 2.96Å; E350-R353 IonicContact OE1-NH2 3.66Å; E350-R353 PolarHBondContact OE1-NH2 3.21Å; E350-R353 IonicContact OE2-CZ 3.46Å; E350-R353 IonicContact OE2-NE 3.5Å; E350-R353 PolarHBondContact OE2-NE 3.39Å; E350-R353 IonicContact OE2-NH2 3.9Å; E350-R353 PolarHBondContact OE2-NH2 3.05Å; E350-Q354 WeakPolarHBondContact O-CG 3.33Å; E350-Q354 PolarHBondContact O-N 3.1Å; E350-Q354 PolarHBondContact OE1-NE2 3.4Å
351	K	84.3	Confident	87.5	Confident	102 Å²	102	43.4 Å²	43.4	44%	0.443	22%	0.216	S	C	.	.	H	α-helix	trans	-72	-37.7	178	-178.1	166.5	165.1	-151.4	0	111.2	D258 S349 Q354 A355	D258-K351 HydrophobicContact CB-CB 4.43Å; D258-K351 HydrophobicContact CB-CD 3.45Å; D258-K351 VanDerWaalsContact CB-CD 3.45Å; D258-K351 VanDerWaalsContact CB-CE 3.4Å; D258-K351 HydrophobicContact CB-CG 3.93Å; D258-K351 WeakPolarHBondContact O-CE 3.42Å; D258-K351 PolarHBondContact O-NZ 2.92Å; S349-K351 PolarHBondContact OG-N 2.9Å; K351-Q354 PolarHBondContact O-N 3.11Å; K351-A355 WeakPolarHBondContact O-CB 3.17Å; K351-A355 PolarHBondContact O-N 3.36Å
352	L	87.4	Confident	87.8	Confident	31 Å²	31	40.9 Å²	40.9	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-44.2	167.5	-70.9	177.7	0	0	0	111.7	L261 A347 D348 S349 Q354 A355 W356	L261-L352 HydrophobicContact CD1-CD2 3.2Å; A347-L352 HydrophobicContact CB-CB 4.01Å; D348-L352 HydrophobicContact CB-CD1 4.01Å; S349-L352 PolarHBondContact O-N 3.15Å; S349-L352 WeakPolarHBondContact OG-CB 3.48Å; S349-L352 WeakPolarHBondContact OG-CG 3.5Å; S349-L352 PolarHBondContact OG-N 3.36Å; L352-Q354 PolarHBondContact O-N 2.93Å; L352-A355 PolarHBondContact O-N 3.42Å; L352-W356 WeakPolarHBondContact O-CB 3.33Å; L352-W356 VanDerWaalsContact O-CD1 3.24Å; L352-W356 PolarHBondContact O-N 2.63Å
353	R	89.6	Confident	87.9	Confident	28 Å²	28	38.7 Å²	38.7	11%	0.106	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-49.8	175.9	-176.2	-176.9	78.1	120.4	2.7	111.3	F332 F334 A347 S349 E350 A355 W356 I357	F332-R353 VanDerWaalsContact C-CD 3.5Å; F332-R353 HydrophobicContact CB-CB 4.39Å; F332-R353 WeakPolarHBondContact O-CD 3.49Å; F334-R353 HydrophobicContact CD1-CG 4.11Å; A347-R353 HydrophobicContact CB-CB 4.04Å; S349-R353 WeakPolarHBondContact O-CB 3.3Å; S349-R353 PolarHBondContact O-N 3.42Å; E350-R353 WeakPolarHBondContact O-CB 3.12Å; E350-R353 PolarHBondContact O-N 3.16Å; E350-R353 IonicContact OE1-CZ 3.86Å; E350-R353 IonicContact OE1-NE 2.83Å; E350-R353 PolarHBondContact OE1-NE 2.96Å; E350-R353 IonicContact OE1-NH2 3.66Å; E350-R353 PolarHBondContact OE1-NH2 3.21Å; E350-R353 IonicContact OE2-CZ 3.46Å; E350-R353 IonicContact OE2-NE 3.5Å; E350-R353 PolarHBondContact OE2-NE 3.39Å; E350-R353 IonicContact OE2-NH2 3.9Å; E350-R353 PolarHBondContact OE2-NH2 3.05Å; R353-A355 VanDerWaalsContact C-N 3.33Å; R353-A355 PolarHBondContact O-N 3.29Å; R353-W356 PolarHBondContact O-N 2.94Å; R353-I357 HydrophobicContact CG-CD1 3.76Å; R353-I357 HydrophobicContact CG-CG1 4.35Å; R353-I357 WeakPolarHBondContact O-CB 3.29Å; R353-I357 VanDerWaalsContact O-CG1 3.28Å; R353-I357 WeakPolarHBondContact O-CG1 3.1Å; R353-I357 PolarHBondContact O-N 2.88Å
354	Q	87.6	Confident	87.7	Confident	109 Å²	109	38.8 Å²	38.8	51%	0.509	19%	0.191	S	C	.	.	H	α-helix	trans	-62.4	-40.3	178.5	-70.3	176.4	17	0	0	111.8	E350 K351 L352 K358	E350-Q354 WeakPolarHBondContact O-CG 3.33Å; E350-Q354 PolarHBondContact O-N 3.1Å; E350-Q354 PolarHBondContact OE1-NE2 3.4Å; K351-Q354 PolarHBondContact O-N 3.11Å; L352-Q354 PolarHBondContact O-N 2.93Å; Q354-K358 WeakPolarHBondContact O-CB 3.3Å; Q354-K358 PolarHBondContact O-N 2.88Å
355	A	87.3	Confident	87.3	Confident	33 Å²	33	39.6 Å²	39.6	27%	0.273	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-48.8	175.1	0	0	0	0	0	112	M273 K351 L352 R353 K358 A359	M273-A355 HydrophobicContact CE-CB 3.94Å; K351-A355 WeakPolarHBondContact O-CB 3.17Å; K351-A355 PolarHBondContact O-N 3.36Å; L352-A355 PolarHBondContact O-N 3.42Å; R353-A355 VanDerWaalsContact C-N 3.33Å; R353-A355 PolarHBondContact O-N 3.29Å; A355-K358 PolarHBondContact O-N 3.49Å; A355-A359 VanDerWaalsContact O-CB 3.3Å; A355-A359 WeakPolarHBondContact O-CB 3.41Å; A355-A359 PolarHBondContact O-N 3.11Å
356	W	89.6	Confident	86.8	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.019	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-44.3	177.8	-84.7	104.4	0	0	0	112.9	M273 L277 F293 I295 F334 L352 R353 K358 A359 V360	M273-W356 HydrophobicContact CB-CZ3 4.46Å; M273-W356 HydrophobicContact CE-CD2 3.74Å; M273-W356 HydrophobicContact CE-CE3 4.45Å; M273-W356 HydrophobicContact CE-CG 3.75Å; M273-W356 HydrophobicContact CE-CZ2 4.38Å; M273-W356 HydrophobicContact CG-CD2 4.49Å; M273-W356 HydrophobicContact CG-CE3 4.39Å; M273-W356 HydrophobicContact CG-CH2 4.2Å; M273-W356 HydrophobicContact CG-CZ2 4.3Å; M273-W356 HydrophobicContact CG-CZ3 4.25Å; M273-W356 HydrophobicContact SD-CD2 3.62Å; M273-W356 HydrophobicContact SD-CE3 3.72Å; M273-W356 HydrophobicContact SD-CG 4.02Å; M273-W356 HydrophobicContact SD-CZ2 4.43Å; M273-W356 HydrophobicContact SD-CZ3 4.17Å; L277-W356 HydrophobicContact CD1-CD2 3.75Å; L277-W356 HydrophobicContact CD1-CE3 3.91Å; L277-W356 HydrophobicContact CD1-CG 4.21Å; L277-W356 HydrophobicContact CD1-CH2 4.33Å; L277-W356 HydrophobicContact CD1-CZ2 4.19Å; L277-W356 HydrophobicContact CD1-CZ3 4.19Å; L277-W356 HydrophobicContact CD2-CD2 4.26Å; L277-W356 HydrophobicContact CD2-CG 4.07Å; L277-W356 HydrophobicContact CG-CD2 4.22Å; L277-W356 HydrophobicContact CG-CZ2 4.17Å; F293-W356 HydrophobicContact CB-CH2 3.75Å; F293-W356 HydrophobicContact CB-CZ2 4.44Å; F293-W356 HydrophobicContact CB-CZ3 4.26Å; I295-W356 HydrophobicContact CD1-CE3 4.27Å; I295-W356 HydrophobicContact CD1-CZ3 4.06Å; I295-W356 HydrophobicContact CG1-CZ3 4.03Å; F334-W356 HydrophobicContact CE1-CB 4.25Å; F334-W356 HydrophobicContact CZ-CB 3.89Å; L352-W356 WeakPolarHBondContact O-CB 3.33Å; L352-W356 VanDerWaalsContact O-CD1 3.24Å; L352-W356 PolarHBondContact O-N 2.63Å; R353-W356 PolarHBondContact O-N 2.94Å; W356-K358 PolarHBondContact O-N 2.63Å; W356-A359 PolarHBondContact O-N 3.2Å; W356-V360 VanDerWaalsContact O-CG2 3.32Å; W356-V360 WeakPolarHBondContact O-CG2 3.47Å; W356-V360 PolarHBondContact O-N 3.03Å
357	I	89.1	Confident	86	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-48.8	175	-70.6	173	0	0	0	110.1	V322 F334 R353 V360 Q361	V322-I357 HydrophobicContact CG1-CB 4.4Å; V322-I357 HydrophobicContact CG1-CG1 4.08Å; V322-I357 HydrophobicContact CG1-CG2 4.04Å; F334-I357 HydrophobicContact CB-CD1 3.79Å; F334-I357 HydrophobicContact CB-CG1 3.85Å; F334-I357 HydrophobicContact CD1-CG1 4.42Å; F334-I357 HydrophobicContact CD2-CG1 3.97Å; F334-I357 HydrophobicContact CG-CD1 4.29Å; F334-I357 HydrophobicContact CG-CG1 3.85Å; R353-I357 HydrophobicContact CG-CD1 3.76Å; R353-I357 HydrophobicContact CG-CG1 4.35Å; R353-I357 WeakPolarHBondContact O-CB 3.29Å; R353-I357 VanDerWaalsContact O-CG1 3.28Å; R353-I357 WeakPolarHBondContact O-CG1 3.1Å; R353-I357 PolarHBondContact O-N 2.88Å; I357-V360 PolarHBondContact O-N 2.68Å; I357-Q361 HydrophobicContact CG2-CG 4.3Å; I357-Q361 WeakPolarHBondContact O-CB 3.38Å; I357-Q361 VanDerWaalsContact O-CG 3.26Å; I357-Q361 WeakPolarHBondContact O-CG 3.41Å; I357-Q361 PolarHBondContact O-N 3.36Å
358	K	87.9	Confident	85.1	Confident	131 Å²	131	46.4 Å²	46.4	57%	0.57	23%	0.234	S	C	*	.	H	α-helix	trans	-64.5	-40.6	-179.5	-174.3	177.2	-179.4	-178.2	0	112.1	Q354 A355 W356 Q361 N362	Q354-K358 WeakPolarHBondContact O-CB 3.3Å; Q354-K358 PolarHBondContact O-N 2.88Å; A355-K358 PolarHBondContact O-N 3.49Å; W356-K358 PolarHBondContact O-N 2.63Å; K358-Q361 PolarHBondContact O-N 3.11Å; K358-N362 VanDerWaalsContact O-CB 3.3Å; K358-N362 WeakPolarHBondContact O-CB 3.23Å; K358-N362 PolarHBondContact O-N 3.41Å; K358-N362 PolarHBondContact O-ND2 3.35Å
359	A	87.3	Confident	84.1	Confident	1 Å²	1	51 Å²	51	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-49.8	176.1	0	0	0	0	0	111.3	Y263 M273 I295 A355 W356 N362 S363	Y263-A359 HydrophobicContact CD2-CB 3.62Å; Y263-A359 HydrophobicContact CE2-CB 3.75Å; M273-A359 HydrophobicContact CB-CB 4.22Å; M273-A359 HydrophobicContact CG-CB 4.47Å; M273-A359 HydrophobicContact SD-CB 3.41Å; M273-A359 WeakPolarHBondContact SD-CB 3.36Å; I295-A359 HydrophobicContact CD1-CB 4.04Å; A355-A359 VanDerWaalsContact O-CB 3.3Å; A355-A359 WeakPolarHBondContact O-CB 3.41Å; A355-A359 PolarHBondContact O-N 3.11Å; W356-A359 PolarHBondContact O-N 3.2Å; A359-N362 PolarHBondContact O-N 3.4Å; A359-S363 WeakPolarHBondContact O-CB 3.48Å; A359-S363 PolarHBondContact O-N 3.42Å; A359-S363 PolarHBondContact O-OG 3.06Å
360	V	87.4	Confident	83	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-46.4	177.3	178.3	0	0	0	0	111	I295 L317 V322 V336 W356 I357 N362 S363 I364	I295-V360 HydrophobicContact CD1-CG2 3.68Å; L317-V360 HydrophobicContact CD2-CG1 4.04Å; V322-V360 HydrophobicContact CG2-CB 4.01Å; V322-V360 HydrophobicContact CG2-CG1 3.47Å; V322-V360 VanDerWaalsContact CG2-CG1 3.47Å; V336-V360 HydrophobicContact CG2-CG1 4.11Å; W356-V360 VanDerWaalsContact O-CG2 3.32Å; W356-V360 WeakPolarHBondContact O-CG2 3.47Å; W356-V360 PolarHBondContact O-N 3.03Å; I357-V360 PolarHBondContact O-N 2.68Å; V360-N362 VanDerWaalsContact C-N 3.35Å; V360-N362 PolarHBondContact O-N 3.17Å; V360-S363 PolarHBondContact O-N 3.01Å; V360-I364 HydrophobicContact CG1-CD1 3.87Å; V360-I364 HydrophobicContact CG1-CG1 4.39Å; V360-I364 WeakPolarHBondContact O-CD1 3.27Å; V360-I364 WeakPolarHBondContact O-CG1 3.3Å; V360-I364 PolarHBondContact O-N 3.2Å
361	Q	87.6	Confident	80.9	Confident	85 Å²	85	61.3 Å²	61.3	40%	0.397	29%	0.292	S	S	.	.	H	α-helix	trans	-58.5	-42.8	176.6	-76.3	175.8	-15.3	0	0	112.9	V322 I357 K358 I364 A365	V322-Q361 HydrophobicContact CB-CG 4.13Å; V322-Q361 HydrophobicContact CG2-CG 3.91Å; I357-Q361 HydrophobicContact CG2-CG 4.3Å; I357-Q361 WeakPolarHBondContact O-CB 3.38Å; I357-Q361 VanDerWaalsContact O-CG 3.26Å; I357-Q361 WeakPolarHBondContact O-CG 3.41Å; I357-Q361 PolarHBondContact O-N 3.36Å; K358-Q361 PolarHBondContact O-N 3.11Å; Q361-I364 PolarHBondContact O-N 3.37Å; Q361-A365 PolarHBondContact O-N 3.36Å
362	N	83.6	Confident	78.9	Confident	55 Å²	55	60.1 Å²	60.1	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-69.8	-38.9	177.7	-72.6	-16.4	0	0	0	112	Y263 K358 A359 V360 A365 T366	Y263-N362 HydrophobicContact CE1-CB 4.24Å; Y263-N362 WeakPolarHBondContact OH-CB 3.31Å; K358-N362 VanDerWaalsContact O-CB 3.3Å; K358-N362 WeakPolarHBondContact O-CB 3.23Å; K358-N362 PolarHBondContact O-N 3.41Å; K358-N362 PolarHBondContact O-ND2 3.35Å; A359-N362 PolarHBondContact O-N 3.4Å; V360-N362 VanDerWaalsContact C-N 3.35Å; V360-N362 PolarHBondContact O-N 3.17Å; N362-A365 PolarHBondContact O-N 3.46Å; N362-T366 PolarHBondContact O-N 3.3Å; N362-T366 PolarHBondContact O-OG1 3.18Å
363	S	84.3	Confident	76.2	Confident	7 Å²	7	66.1 Å²	66.1	5%	0.049	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-39.6	173.8	-66.6	0	0	0	0	112.1	A359 V360 T366 A367	A359-S363 WeakPolarHBondContact O-CB 3.48Å; A359-S363 PolarHBondContact O-N 3.42Å; A359-S363 PolarHBondContact O-OG 3.06Å; V360-S363 PolarHBondContact O-N 3.01Å; S363-T366 PolarHBondContact O-N 3.15Å; S363-A367 WeakPolarHBondContact O-CB 3.35Å; S363-A367 PolarHBondContact O-N 3.47Å
364	I	83.4	Confident	73.3	Confident	16 Å²	16	70 Å²	70	8%	0.082	37%	0.372	C	S	.	.	H	α-helix	trans	-57.4	-49.8	170	-64.6	162.2	0	0	0	109.9	L317 C320 V322 V360 Q361 T366 A367 F368	L317-I364 HydrophobicContact CB-CG1 4.08Å; L317-I364 HydrophobicContact CD2-CG1 4.37Å; L317-I364 WeakPolarHBondContact O-CG1 3.49Å; C320-I364 HydrophobicContact CB-CD1 4.25Å; V322-I364 HydrophobicContact CG2-CD1 3.78Å; V360-I364 HydrophobicContact CG1-CD1 3.87Å; V360-I364 HydrophobicContact CG1-CG1 4.39Å; V360-I364 WeakPolarHBondContact O-CD1 3.27Å; V360-I364 WeakPolarHBondContact O-CG1 3.3Å; V360-I364 PolarHBondContact O-N 3.2Å; Q361-I364 PolarHBondContact O-N 3.37Å; I364-T366 PolarHBondContact O-N 2.94Å; I364-A367 PolarHBondContact O-N 3.29Å; I364-F368 HydrophobicContact CG2-CD2 3.74Å; I364-F368 HydrophobicContact CG2-CE2 3.59Å; I364-F368 VanDerWaalsContact O-CD2 3.26Å; I364-F368 WeakPolarHBondContact O-CD2 3.45Å; I364-F368 PolarHBondContact O-N 2.89Å
365	A	81.1	Confident	70.6	Confident	32 Å²	32	68.5 Å²	68.5	26%	0.264	39%	0.385	S	S	.	.	H	α-helix	trans	-65.2	-36.4	-179.2	0	0	0	0	0	113.7	Q361 N362 F368 R369	Q361-A365 PolarHBondContact O-N 3.36Å; N362-A365 PolarHBondContact O-N 3.46Å; A365-F368 PolarHBondContact O-N 3.42Å; A365-R369 WeakPolarHBondContact O-CG 3.4Å; A365-R369 PolarHBondContact O-N 3.27Å; A365-R369 VanDerWaalsContact O-N 3.17Å; A365-R369 PolarHBondContact O-NE 2.92Å
366	T	80.5	Confident	68	Low	46 Å²	46	74.3 Å²	74.3	28%	0.282	41%	0.407	S	S	.	.	H	α-helix	trans	-67.5	-45.3	174.4	-67.9	0	0	0	0	110.8	V265 N362 S363 I364 F368 R369 D370	V265-T366 HydrophobicContact CG1-CG2 4.48Å; N362-T366 PolarHBondContact O-N 3.3Å; N362-T366 PolarHBondContact O-OG1 3.18Å; S363-T366 PolarHBondContact O-N 3.15Å; I364-T366 PolarHBondContact O-N 2.94Å; T366-F368 PolarHBondContact O-N 3.34Å; T366-R369 PolarHBondContact O-N 2.7Å; T366-R369 PolarHBondContact OG1-NH2 2.9Å; T366-D370 PolarHBondContact O-N 3.29Å; T366-D370 VanDerWaalsContact O-N 3.17Å
367	A	75.2	Confident	65.3	Low	1 Å²	1	82 Å²	82	1%	0.008	44%	0.44	C	S	.	.	H	α-helix	trans	-64.5	-27.5	176.9	0	0	0	0	0	112.7	N298 R318 S363 I364	N298-A367 HydrophobicContact CB-CB 4.1Å; R318-A367 WeakPolarHBondContact CD-O 3.39Å; R318-A367 HydrophobicContact CG-CB 3.28Å; R318-A367 WeakPolarHBondContact CG-O 3.5Å; S363-A367 WeakPolarHBondContact O-CB 3.35Å; S363-A367 PolarHBondContact O-N 3.47Å; I364-A367 PolarHBondContact O-N 3.29Å
368	F	73.8	Confident	62.6	Low	127 Å²	127	89.6 Å²	89.6	56%	0.557	48%	0.48	S	S	*	.	H	α-helix	trans	-71.9	-33.1	170	-89.1	-62.4	0	0	0	114.4	R318 I364 A365 T366 D370	R318-F368 WeakPolarHBondContact O-CE2 3.25Å; R318-F368 WeakPolarHBondContact O-CZ 3.37Å; I364-F368 HydrophobicContact CG2-CD2 3.74Å; I364-F368 HydrophobicContact CG2-CE2 3.59Å; I364-F368 VanDerWaalsContact O-CD2 3.26Å; I364-F368 WeakPolarHBondContact O-CD2 3.45Å; I364-F368 PolarHBondContact O-N 2.89Å; A365-F368 PolarHBondContact O-N 3.42Å; T366-F368 PolarHBondContact O-N 3.34Å; F368-D370 VanDerWaalsContact C-N 3.27Å
369	R	67.9	Low	59.7	Low	170 Å²	170	90.5 Å²	90.5	64%	0.642	49%	0.491	S	S	*	.	H	α-helix	trans	-72.6	-22.6	176.8	-75.2	-179.5	-72.2	-105	0.4	112.5	A365 T366 K371	A365-R369 WeakPolarHBondContact O-CG 3.4Å; A365-R369 PolarHBondContact O-N 3.27Å; A365-R369 VanDerWaalsContact O-N 3.17Å; A365-R369 PolarHBondContact O-NE 2.92Å; T366-R369 PolarHBondContact O-N 2.7Å; T366-R369 PolarHBondContact OG1-NH2 2.9Å; R369-K371 PolarHBondContact O-N 2.7Å
370	D	62.4	Low	57.1	Low	107 Å²	107	101.4 Å²	101.4	57%	0.572	53%	0.532	S	S	*	.			trans	-75.5	62.2	179.9	-163.7	23.8	0	0	0	112.2	T366 F368	T366-D370 PolarHBondContact O-N 3.29Å; T366-D370 VanDerWaalsContact O-N 3.17Å; F368-D370 VanDerWaalsContact C-N 3.27Å
371	K	42.3	Very low	54.3	Low	196 Å²	196	111.2 Å²	111.2	85%	0.852	58%	0.575	S	S	*	*			trans	-129.2	70.3	-175.6	-134.6	-172.7	-170.9	-173.2	0	112.1	R369	R369-K371 PolarHBondContact O-N 2.7Å
372	G	41.7	Very low	51.4	Low	77 Å²	77	112 Å²	112	79%	0.794	59%	0.59	S	S	*	*			trans	113.1	79.9	152.8	0	0	0	0	0	117.1
373	D	29.8	Very low	48.8	Very low	157 Å²	157	114.2 Å²	114.2	84%	0.84	61%	0.609	S	S	*	*				-159	113.2	127.2	-150	8.9	0	0	0	106.6
374	S	28.8	Very low	46	Very low	110 Å²	110	120.1 Å²	120.1	77%	0.769	65%	0.645	S	S	*	*				-164.3	139.1	62.2	41.2	0	0	0	0	111.4
375	G	32.3	Very low	43.4	Very low	76 Å²	76	124.4 Å²	124.4	78%	0.784	68%	0.677	S	S	*	*			trans	-115.5	96.4	162.9	0	0	0	0	0	109.7
376	E	32.6	Very low	41.1	Very low	156 Å²	156	129.8 Å²	129.8	73%	0.729	71%	0.706	S	S	*	*			trans	-163	135	143.9	-114.4	-168.2	-161.8	0	0	113.4
377	K	33.3	Very low	38.6	Very low	165 Å²	165	131.1 Å²	131.1	72%	0.717	73%	0.729	S	S	*	*			trans	61.2	106.5	159.5	-63.5	166	-178.6	138.1	0	118.6
378	L	32.3	Very low	36.3	Very low	166 Å²	166	136.4 Å²	136.4	87%	0.869	77%	0.766	S	S	*	*				-158.8	163.4	93.9	-100	161.9	0	0	0	111.5
379	D	26.4	Very low	34.3	Very low	149 Å²	149	138.5 Å²	138.5	80%	0.797	78%	0.782	S	S	*	*			trans	-79.5	143.9	-144	-81.6	-74.2	0	0	0	119
380	R	32.4	Very low	32.2	Very low	230 Å²	230	137.6 Å²	137.6	87%	0.868	79%	0.79	S	S	*	*			trans	-62	123.6	157	163.3	-171.9	169.1	-171.5	-2.3	110.6
381	K	27.6	Very low	30.6	Very low	208 Å²	208	138.2 Å²	138.2	90%	0.904	80%	0.803	S	S	*	*			trans	-162.5	135.8	140.7	-110.3	157.5	-168.3	175.6	0	114
382	S	27.2	Very low	30.5	Very low	102 Å²	102	133 Å²	133	71%	0.713	81%	0.805	S	S	*	*			trans	-97.4	149.8	171.5	51.1	0	0	0	0	111.2
383	S	28.6	Very low	29.8	Very low	101 Å²	101	133 Å²	133	71%	0.706	81%	0.805	S	S	*	*			trans	83.8	124	153.1	-49.9	0	0	0	0	120.5
384	T	27.3	Very low	29.7	Very low	131 Å²	131	134.4 Å²	134.4	80%	0.804	81%	0.806	S	S	*	*			trans	55.1	114.5	138	57	0	0	0	0	121.1
385	S	27.7	Very low	29.7	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	81%	0.81	S	S	*	*				175.3	130.4	103.3	58.9	0	0	0	0	115.2
386	T	32.6	Very low	29.6	Very low	144 Å²	144	141.3 Å²	141.3	88%	0.883	82%	0.815	S	S	*	*			trans	49.8	130.4	141.8	57.8	0	0	0	0	123.6
387	G	27.5	Very low	29.4	Very low	74 Å²	74	143.4 Å²	143.4	76%	0.763	82%	0.824	S	S	*	*			trans	130.7	81.4	160.2	0	0	0	0	0	113.6
388	S	28.4	Very low	29.3	Very low	112 Å²	112	146.2 Å²	146.2	78%	0.783	83%	0.83	S	S	*	*				69.8	99.3	87.3	-178	0	0	0	0	115.7
389	L	30.8	Very low	29.1	Very low	171 Å²	171	144.1 Å²	144.1	90%	0.895	83%	0.83	S	S	*	*				-176.3	154.1	117.6	-96.4	166	0	0	0	111.8
390	D	24.7	Very low	29.6	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	82%	0.819	S	S	*	*			trans	-72.2	149.9	-171.5	-95.2	-49.6	0	0	0	115.7
391	S	29.3	Very low	29.7	Very low	120 Å²	120	139.3 Å²	139.3	84%	0.839	81%	0.812	S	S	*	*				-171.4	137	117.8	-79.5	0	0	0	0	111.2
392	G	38.4	Very low	30.5	Very low	87 Å²	87	133 Å²	133	90%	0.897	81%	0.807	S	S	*	*			trans	-74	149.1	-169.3	0	0	0	0	0	115.4
393	G	27.5	Very low	32	Very low	77 Å²	77	131.8 Å²	131.8	79%	0.794	79%	0.789	S	S	*	*			trans	-149.1	130.7	165.9	0	0	0	0	0	109.5
394	E	28.9	Very low	34.6	Very low	186 Å²	186	129.5 Å²	129.5	87%	0.869	77%	0.773	S	S	*	*			trans	-64	151.6	-177	-63.5	-173.4	125.3	0	0	112.6	K396	E394-K396 PolarHBondContact O-N 3.29Å
395	P	28.6	Very low	37.3	Very low	131 Å²	131	124 Å²	124	85%	0.851	74%	0.742	S	S	*	*			trans	-73.6	95	179.9	30.7	-34.3	0	0	0	111	E397	P395-E397 PolarHBondContact O-N 3.1Å
396	K	28.8	Very low	40.2	Very low	201 Å²	201	120.2 Å²	120.2	87%	0.874	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-55.2	125.6	164.8	-99.6	178	174.5	170.8	0	110.4	E394 R398	E394-K396 PolarHBondContact O-N 3.29Å; K396-R398 PolarHBondContact O-N 2.77Å; K396-R398 VanDerWaalsContact O-N 3.14Å
397	E	29.1	Very low	42.9	Very low	199 Å²	199	118.2 Å²	118.2	93%	0.93	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-51.9	117	175.2	-68.7	-178.7	114.5	0	0	111.4	P395	P395-E397 PolarHBondContact O-N 3.1Å
398	R	30.4	Very low	45.9	Very low	225 Å²	225	117.8 Å²	117.8	85%	0.849	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-87.7	122.8	166.6	-79.5	179.2	162.2	175.9	-5.1	108.4	K396 L400	K396-R398 PolarHBondContact O-N 2.77Å; K396-R398 VanDerWaalsContact O-N 3.14Å; R398-L400 WeakPolarHBondContact O-CG 3.09Å; R398-L400 PolarHBondContact O-N 3.4Å; R398-L400 VanDerWaalsContact O-N 3.12Å
399	S	28.5	Very low	48.9	Very low	122 Å²	122	112.4 Å²	112.4	85%	0.853	63%	0.633	S	S	*	*			trans	-55.5	113.7	-179.9	-175.5	0	0	0	0	112.5	K401	S399-K401 PolarHBondContact O-N 2.87Å
400	L	37.9	Very low	51.8	Low	109 Å²	109	106 Å²	106	57%	0.571	60%	0.6	S	S	*	*			trans	-90.4	76.2	-172.2	-63.2	176	0	0	0	113	R398 E403	R398-L400 WeakPolarHBondContact O-CG 3.09Å; R398-L400 PolarHBondContact O-N 3.4Å; R398-L400 VanDerWaalsContact O-N 3.12Å; L400-E403 HydrophobicContact CD2-CG 4.46Å
401	K	33.9	Very low	55	Low	169 Å²	169	102.5 Å²	102.5	74%	0.735	59%	0.592	S	S	*	*			trans	-127.8	85.9	165.7	-75.3	-171.7	176.2	177.5	0	111.4	S399	S399-K401 PolarHBondContact O-N 2.87Å
402	G	43.5	Very low	58	Low	76 Å²	76	98.6 Å²	98.6	78%	0.784	56%	0.561	S	S	*	*	S	Bend	trans	168.5	-15.8	177	0	0	0	0	0	115.2
403	E	60.4	Low	60.3	Low	75 Å²	75	98.4 Å²	98.4	35%	0.35	54%	0.544	S	S	.	.			trans	-67.6	133.4	-179.8	-66.3	-173.1	155.3	0	0	113.3	L400 Q407 K408	L400-E403 HydrophobicContact CD2-CG 4.46Å; E403-Q407 HydrophobicContact CB-CB 4.09Å; E403-Q407 HydrophobicContact CG-CB 4.45Å; E403-K408 HydrophobicContact CB-CD 4.4Å; E403-K408 HydrophobicContact CB-CG 3.85Å; E403-K408 WeakPolarHBondContact O-CE 3.48Å
404	S	81.6	Confident	63.3	Low	53 Å²	53	96.8 Å²	96.8	37%	0.371	53%	0.527	S	S	.	.			trans	-62.6	157.4	171.9	61.5	0	0	0	0	112.3	L406 Q407 K408	S404-L406 PolarHBondContact O-N 2.69Å; S404-Q407 PolarHBondContact O-N 3.32Å; S404-Q407 WeakPolarHBondContact OG-CG 3.49Å; S404-Q407 PolarHBondContact OG-N 2.81Å; S404-Q407 PolarHBondContact OG-OE1 2.99Å; S404-K408 PolarHBondContact O-N 2.85Å; S404-K408 VanDerWaalsContact O-N 3.15Å
405	A	85.1	Confident	66.5	Low	17 Å²	17	87.9 Å²	87.9	14%	0.14	49%	0.486	C	S	.	.	H	α-helix	trans	-53.7	-39.9	175.2	0	0	0	0	0	111.9	K408 V409 W463 L468	A405-K408 PolarHBondContact O-N 2.92Å; A405-V409 WeakPolarHBondContact O-CB 3.3Å; A405-V409 VanDerWaalsContact O-CG2 3.3Å; A405-V409 WeakPolarHBondContact O-CG2 3.36Å; A405-V409 PolarHBondContact O-N 3.07Å; A405-W463 HydrophobicContact CB-CB 4.03Å; A405-W463 HydrophobicContact CB-CD2 4.22Å; A405-W463 HydrophobicContact CB-CG 3.65Å; A405-L468 HydrophobicContact CB-CD1 3.9Å; A405-L468 HydrophobicContact CB-CD2 4.5Å
406	L	88.3	Confident	69.6	Low	25 Å²	25	84.5 Å²	84.5	13%	0.131	47%	0.468	C	S	.	.	H	α-helix	trans	-54.5	-52.1	172.6	-176.2	70.2	0	0	0	112.8	S404 L410 L458 T459	S404-L406 PolarHBondContact O-N 2.69Å; L406-L410 HydrophobicContact CD1-CD1 3.68Å; L406-L410 HydrophobicContact CD1-CG 4Å; L406-L410 HydrophobicContact CD2-CD1 4.5Å; L406-L410 HydrophobicContact CG-CD1 3.81Å; L406-L410 HydrophobicContact CG-CG 4.33Å; L406-L410 VanDerWaalsContact O-CB 3.28Å; L406-L410 WeakPolarHBondContact O-CB 3.11Å; L406-L410 WeakPolarHBondContact O-CG 3.22Å; L406-L410 PolarHBondContact O-N 3.32Å; L406-L458 HydrophobicContact CB-CB 4.25Å; L406-L458 HydrophobicContact CD1-CB 3.65Å; L406-L458 HydrophobicContact CD1-CD1 3.94Å; L406-L458 HydrophobicContact CD1-CG 4.43Å; L406-L458 PolarHBondContact N-O 2.88Å; L406-T459 HydrophobicContact CB-CG2 4.26Å; L406-T459 HydrophobicContact CD1-CG2 4.31Å; L406-T459 HydrophobicContact CD2-CG2 3.79Å; L406-T459 HydrophobicContact CG-CG2 4.35Å
407	Q	88.8	Confident	72.8	Confident	102 Å²	102	77.6 Å²	77.6	48%	0.477	45%	0.445	S	S	.	.	H	α-helix	trans	-61.8	-47.6	-177.6	-75.3	161.7	-55.5	0	0	111.5	E403 S404 V409 L410 A411	E403-Q407 HydrophobicContact CB-CB 4.09Å; E403-Q407 HydrophobicContact CG-CB 4.45Å; S404-Q407 PolarHBondContact O-N 3.32Å; S404-Q407 WeakPolarHBondContact OG-CG 3.49Å; S404-Q407 PolarHBondContact OG-N 2.81Å; S404-Q407 PolarHBondContact OG-OE1 2.99Å; Q407-V409 PolarHBondContact O-N 3.26Å; Q407-L410 PolarHBondContact O-N 3.23Å; Q407-A411 WeakPolarHBondContact O-CB 3Å; Q407-A411 PolarHBondContact O-N 3.36Å
408	K	90.6	Very high	76.1	Confident	65 Å²	65	68.3 Å²	68.3	28%	0.283	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-44.3	-179	-69.2	177.2	173.2	-171.9	0	112.8	E403 S404 A405 L468	E403-K408 HydrophobicContact CB-CD 4.4Å; E403-K408 HydrophobicContact CB-CG 3.85Å; E403-K408 WeakPolarHBondContact O-CE 3.48Å; S404-K408 PolarHBondContact O-N 2.85Å; S404-K408 VanDerWaalsContact O-N 3.15Å; A405-K408 PolarHBondContact O-N 2.92Å; K408-L468 HydrophobicContact CB-CD1 4.42Å; K408-L468 HydrophobicContact CD-CD2 3.93Å; K408-L468 HydrophobicContact CD-CG 4.48Å
409	V	92.5	Very high	79.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-74.5	-34.9	-179.4	178.3	0	0	0	0	111.8	A405 Q407 A411 I412 N415 T436 L458 L468 M471	A405-V409 WeakPolarHBondContact O-CB 3.3Å; A405-V409 VanDerWaalsContact O-CG2 3.3Å; A405-V409 WeakPolarHBondContact O-CG2 3.36Å; A405-V409 PolarHBondContact O-N 3.07Å; Q407-V409 PolarHBondContact O-N 3.26Å; V409-A411 VanDerWaalsContact C-N 3.34Å; V409-I412 PolarHBondContact O-N 3.05Å; V409-N415 WeakPolarHBondContact O-CB 3.28Å; V409-N415 PolarHBondContact O-ND2 2.91Å; V409-T436 HydrophobicContact CG1-CG2 3.51Å; V409-L458 HydrophobicContact CB-CD2 3.96Å; V409-L458 HydrophobicContact CG1-CD1 4.47Å; V409-L458 HydrophobicContact CG1-CD2 4.06Å; V409-L458 HydrophobicContact CG2-CD2 3.97Å; V409-L468 HydrophobicContact CG2-CD1 3.64Å; V409-M471 HydrophobicContact CG1-CB 4.24Å; V409-M471 HydrophobicContact CG1-CE 3.9Å; V409-M471 HydrophobicContact CG2-CB 3.66Å
410	L	91.5	Very high	82.5	Confident	36 Å²	36	51.8 Å²	51.8	19%	0.188	32%	0.321	C	S	.	.	H	α-helix	trans	-72.6	-23.4	176.6	-70.4	-176.1	0	0	0	113.6	L406 Q407 I412 N415 P426	L406-L410 HydrophobicContact CD1-CD1 3.68Å; L406-L410 HydrophobicContact CD1-CG 4Å; L406-L410 HydrophobicContact CD2-CD1 4.5Å; L406-L410 HydrophobicContact CG-CD1 3.81Å; L406-L410 HydrophobicContact CG-CG 4.33Å; L406-L410 VanDerWaalsContact O-CB 3.28Å; L406-L410 WeakPolarHBondContact O-CB 3.11Å; L406-L410 WeakPolarHBondContact O-CG 3.22Å; L406-L410 PolarHBondContact O-N 3.32Å; Q407-L410 PolarHBondContact O-N 3.23Å; L410-I412 PolarHBondContact O-N 3.27Å; L410-N415 WeakPolarHBondContact CD2-O 3.36Å; L410-P426 HydrophobicContact CD2-CG 3.85Å
411	A	91.8	Very high	85.2	Confident	78 Å²	78	46.8 Å²	46.8	65%	0.645	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.8	175.8	0	0	0	0	0	113.4	Q407 V409	Q407-A411 WeakPolarHBondContact O-CB 3Å; Q407-A411 PolarHBondContact O-N 3.36Å; V409-A411 VanDerWaalsContact C-N 3.34Å
412	I	92.5	Very high	88.1	Confident	38 Å²	38	40.3 Å²	40.3	20%	0.195	28%	0.276	C	S	.	.	S	Bend	trans	-71.9	135.7	-179.5	-52.9	-53	0	0	0	111.3	V409 L410 G414 N415 C472	V409-I412 PolarHBondContact O-N 3.05Å; L410-I412 PolarHBondContact O-N 3.27Å; I412-G414 PolarHBondContact O-N 2.78Å; I412-G414 VanDerWaalsContact O-N 3.14Å; I412-N415 HydrophobicContact CB-CB 4.34Å; I412-N415 WeakPolarHBondContact O-CB 3.31Å; I412-N415 PolarHBondContact O-N 3.36Å; I412-C472 HydrophobicContact CD1-CB 4.1Å; I412-C472 WeakPolarHBondContact CD1-O 3.46Å
413	P	86.8	Confident	90.6	Very high	82 Å²	82	39.8 Å²	39.8	53%	0.532	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	119	-179.8	-30.6	36.8	0	0	0	114.2	R477	P413-R477 WeakPolarHBondContact O-CB 3.39Å
414	G	90	Very high	92.3	Very high	43 Å²	43	40.2 Å²	40.2	44%	0.443	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	-11.5	179.8	0	0	0	0	0	115.2	I412 A416 N476	I412-G414 PolarHBondContact O-N 2.78Å; I412-G414 VanDerWaalsContact O-N 3.14Å; G414-A416 VanDerWaalsContact C-N 3.28Å; G414-A416 PolarHBondContact O-N 3.17Å; G414-N476 WeakPolarHBondContact O-CB 3.47Å; G414-N476 PolarHBondContact O-ND2 3Å
415	N	95.5	Very high	92.8	Very high	0 Å²	0	42 Å²	42	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-14	179.7	-75.1	4.5	0	0	0	113.6	V409 L410 I412 C417 P426 T436 G475 N476	V409-N415 WeakPolarHBondContact O-CB 3.28Å; V409-N415 PolarHBondContact O-ND2 2.91Å; L410-N415 WeakPolarHBondContact CD2-O 3.36Å; I412-N415 HydrophobicContact CB-CB 4.34Å; I412-N415 WeakPolarHBondContact O-CB 3.31Å; I412-N415 PolarHBondContact O-N 3.36Å; N415-C417 PolarHBondContact O-N 3.04Å; N415-P426 WeakPolarHBondContact O-CG 3.44Å; N415-T436 HydrophobicContact CB-CG2 3.84Å; N415-T436 PolarHBondContact O-OG1 3.16Å; N415-G475 WeakPolarHBondContact OD1-CA 3.41Å; N415-N476 PolarHBondContact OD1-N 2.88Å
416	A	94.6	Very high	93.3	Very high	59 Å²	59	41.2 Å²	41.2	49%	0.488	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.4	175.2	0	0	0	0	0	114.7	G414 D425 P426	G414-A416 VanDerWaalsContact C-N 3.28Å; G414-A416 PolarHBondContact O-N 3.17Å; A416-D425 PolarHBondContact O-N 2.87Å; A416-P426 VanDerWaalsContact O-CD 3.28Å; A416-P426 WeakPolarHBondContact O-CD 3.42Å
417	C	96	Very high	93.6	Very high	56 Å²	56	43.3 Å²	43.3	38%	0.378	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-127.6	148.8	173.9	-63.9	0	0	0	0	110.2	N415 C419 G422 Q423 N476	N415-C417 PolarHBondContact O-N 3.04Å; C417-C419 PolarHBondContact O-N 3.48Å; C417-G422 WeakPolarHBondContact CB-O 3.47Å; C417-Q423 CarbonylContact C-O 3.5Å; C417-Q423 WeakPolarHBondContact CA-O 3.46Å; C417-N476 PolarHBondContact O-ND2 3.32Å
418	C	97.1	Very high	94.1	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.027	25%	0.254	C	S	.	.			trans	-54.3	133.6	175.8	-179.9	0	0	0	0	111.8	D420 C421 G422 Q423 C438 C441	C418-D420 VanDerWaalsContact C-N 3.27Å; C418-D420 PolarHBondContact O-N 3.3Å; C418-D420 VanDerWaalsContact O-N 3.15Å; C418-C421 VanDerWaalsContact SG-SG 3.63Å; C418-G422 WeakPolarHBondContact O-CA 3.36Å; C418-G422 PolarHBondContact O-N 2.81Å; C418-Q423 HydrophobicContact CB-CB 4.2Å; C418-Q423 WeakPolarHBondContact CB-O 3.42Å; C418-Q423 PolarHBondContact N-O 2.87Å; C418-C438 HydrophobicContact CB-CB 4.01Å; C418-C438 PolarHBondContact SG-N 3.26Å; C418-C441 VanDerWaalsContact SG-SG 3.67Å
419	C	96.8	Very high	94.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-39.3	-174	-156.2	0	0	0	0	113.9	C417 I435 T436 L437 N476 N480 K494	C417-C419 PolarHBondContact O-N 3.48Å; C419-I435 HydrophobicContact CB-CB 4.01Å; C419-I435 HydrophobicContact CB-CD1 4.29Å; C419-I435 HydrophobicContact CB-CG2 4.37Å; C419-T436 PolarHBondContact N-O 3.3Å; C419-L437 HydrophobicContact CB-CD2 4.25Å; C419-N476 HydrophobicContact CB-CB 4.35Å; C419-N476 WeakPolarHBondContact CB-OD1 3.37Å; C419-N476 PolarHBondContact N-ND2 2.97Å; C419-N476 PolarHBondContact SG-OD1 3.16Å; C419-N480 PolarHBondContact O-ND2 3.04Å; C419-N480 PolarHBondContact SG-OD1 3.4Å; C419-N480 VanDerWaalsContact SG-OD1 3.36Å; C419-K494 VanDerWaalsContact O-CE 3.3Å; C419-K494 WeakPolarHBondContact O-CE 3.33Å; C419-K494 PolarHBondContact O-NZ 3.15Å
420	D	96.9	Very high	94.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-45	-169.3	-48.1	-62.7	0	0	0	114.9	C418 L437 H445 K494 I508 K511 Y512	C418-D420 VanDerWaalsContact C-N 3.27Å; C418-D420 PolarHBondContact O-N 3.3Å; C418-D420 VanDerWaalsContact O-N 3.15Å; D420-L437 WeakPolarHBondContact OD2-CD2 3.3Å; D420-H445 IonicContact OD2-NE2 3.74Å; D420-H445 PolarHBondContact OD2-NE2 3.44Å; D420-K494 WeakPolarHBondContact O-CE 3.35Å; D420-K494 VanDerWaalsContact O-CG 3.31Å; D420-K494 WeakPolarHBondContact O-CG 3.26Å; D420-I508 HydrophobicContact CB-CD1 3.99Å; D420-I508 HydrophobicContact CB-CG1 3.83Å; D420-K511 WeakPolarHBondContact OD1-CD 3.36Å; D420-K511 IonicContact OD1-NZ 2.82Å; D420-K511 PolarHBondContact OD1-NZ 2.92Å; D420-Y512 WeakPolarHBondContact OD1-CE2 3.35Å; D420-Y512 PolarHBondContact OD1-OH 3.33Å
421	C	95.5	Very high	94.8	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.027	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-1.1	-177.9	69.9	0	0	0	0	114.7	C418 Q423 C438 C441 P495 P497	C418-C421 VanDerWaalsContact SG-SG 3.63Å; C421-Q423 PolarHBondContact O-N 2.94Å; C421-Q423 VanDerWaalsContact O-N 3.11Å; C421-C438 VanDerWaalsContact SG-SG 3.6Å; C421-C441 PolarHBondContact SG-SG 3.01Å; C421-P495 CarbonylContact C-O 3.59Å; C421-P495 WeakPolarHBondContact CA-O 3.24Å; C421-P495 HydrophobicContact CB-CB 4.35Å; C421-P497 WeakPolarHBondContact O-CD 3.36Å
422	G	94.9	Very high	95	Very high	33 Å²	33	32.6 Å²	32.6	34%	0.34	20%	0.203	S	C	.	.			trans	69.4	2.7	-179.9	0	0	0	0	0	116	C417 C418	C417-G422 WeakPolarHBondContact CB-O 3.47Å; C418-G422 WeakPolarHBondContact O-CA 3.36Å; C418-G422 PolarHBondContact O-N 2.81Å
423	Q	95.9	Very high	95.1	Very high	65 Å²	65	31.5 Å²	31.5	30%	0.304	20%	0.197	S	C	.	.			trans	-56.6	127.2	178.3	-177.7	179	-4.2	0	0	110.9	C417 C418 C421 C438 P497	C417-Q423 CarbonylContact C-O 3.5Å; C417-Q423 WeakPolarHBondContact CA-O 3.46Å; C418-Q423 HydrophobicContact CB-CB 4.2Å; C418-Q423 WeakPolarHBondContact CB-O 3.42Å; C418-Q423 PolarHBondContact N-O 2.87Å; C421-Q423 PolarHBondContact O-N 2.94Å; C421-Q423 VanDerWaalsContact O-N 3.11Å; Q423-C438 HydrophobicContact CB-CB 4.09Å; Q423-C438 HydrophobicContact CG-CB 4.2Å; Q423-C438 PolarHBondContact OE1-SG 3.31Å; Q423-P497 HydrophobicContact CB-CB 4.15Å; Q423-P497 HydrophobicContact CB-CG 4.05Å; Q423-P497 HydrophobicContact CG-CB 4.4Å
424	P	95.4	Very high	95.5	Very high	83 Å²	83	27.6 Å²	27.6	54%	0.539	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-65.7	161.9	-178.7	28.5	-36.3	0	0	0	112
425	D	91.6	Very high	95.9	Very high	91 Å²	91	25.5 Å²	25.5	49%	0.487	15%	0.15	S	C	.	.	S	Bend	trans	60.3	51.9	168.9	-159.7	35.7	0	0	0	114.7	A416 R427	A416-D425 PolarHBondContact O-N 2.87Å; D425-R427 PolarHBondContact O-NH1 3.45Å; D425-R427 IonicContact OD1-CZ 3.43Å; D425-R427 VanDerWaalsContact OD1-CZ 3.23Å; D425-R427 IonicContact OD1-NH1 3.23Å; D425-R427 PolarHBondContact OD1-NH1 3.12Å; D425-R427 IonicContact OD1-NH2 2.84Å; D425-R427 PolarHBondContact OD1-NH2 3.31Å; D425-R427 IonicContact OD2-CZ 3.06Å; D425-R427 IonicContact OD2-NH1 3.33Å; D425-R427 PolarHBondContact OD2-NH1 3.39Å; D425-R427 IonicContact OD2-NH2 2.74Å; D425-R427 PolarHBondContact OD2-NH2 3.02Å
426	P	95.9	Very high	96	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	15%	0.15	C	C	.	.			trans	-62.7	150.8	-179.6	26.3	-32.1	0	0	0	112.3	L410 N415 A416 T436 L437	L410-P426 HydrophobicContact CD2-CG 3.85Å; N415-P426 WeakPolarHBondContact O-CG 3.44Å; A416-P426 VanDerWaalsContact O-CD 3.28Å; A416-P426 WeakPolarHBondContact O-CD 3.42Å; P426-T436 VanDerWaalsContact CG-OG1 3.31Å; P426-T436 WeakPolarHBondContact CG-OG1 3.36Å; P426-L437 VanDerWaalsContact CB-C 3.48Å; P426-L437 VanDerWaalsContact CB-O 3.25Å; P426-L437 WeakPolarHBondContact CB-O 3.28Å
427	R	96.1	Very high	96.1	Very high	69 Å²	69	22.7 Å²	22.7	26%	0.26	13%	0.127	S	C	.	.			trans	-127.8	2.8	-176.1	-69	-73.5	178.7	-80.5	-2.6	113.5	D425 L437 L458	D425-R427 PolarHBondContact O-NH1 3.45Å; D425-R427 IonicContact OD1-CZ 3.43Å; D425-R427 VanDerWaalsContact OD1-CZ 3.23Å; D425-R427 IonicContact OD1-NH1 3.23Å; D425-R427 PolarHBondContact OD1-NH1 3.12Å; D425-R427 IonicContact OD1-NH2 2.84Å; D425-R427 PolarHBondContact OD1-NH2 3.31Å; D425-R427 IonicContact OD2-CZ 3.06Å; D425-R427 IonicContact OD2-NH1 3.33Å; D425-R427 PolarHBondContact OD2-NH1 3.39Å; D425-R427 IonicContact OD2-NH2 2.74Å; D425-R427 PolarHBondContact OD2-NH2 3.02Å; R427-L437 PolarHBondContact N-O 3.13Å; R427-L458 PolarHBondContact O-N 3.16Å
428	W	97.4	Very high	96.2	Very high	51 Å²	51	20.2 Å²	20.2	19%	0.193	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	163.4	175	-64.1	-91	0	0	0	110	T436 L437 C438 I439 V455 R456	W428-T436 CarbonylContact O-C 3.46Å; W428-T436 WeakPolarHBondContact O-CA 3.42Å; W428-L437 HydrophobicContact CB-CB 4.3Å; W428-L437 PolarHBondContact N-O 3.22Å; W428-L437 VanDerWaalsContact N-O 3.08Å; W428-L437 PolarHBondContact O-N 3.4Å; W428-C438 VanDerWaalsContact CE3-C 3.49Å; W428-I439 HydrophobicContact CE3-CB 4.14Å; W428-I439 HydrophobicContact CH2-CB 3.49Å; W428-I439 VanDerWaalsContact CH2-CB 3.49Å; W428-I439 HydrophobicContact CH2-CD1 3.81Å; W428-I439 HydrophobicContact CH2-CG1 3.59Å; W428-I439 HydrophobicContact CZ2-CB 4.27Å; W428-I439 HydrophobicContact CZ2-CD1 4.19Å; W428-I439 HydrophobicContact CZ2-CG1 3.94Å; W428-I439 HydrophobicContact CZ3-CB 3.4Å; W428-I439 VanDerWaalsContact CZ3-CB 3.4Å; W428-I439 HydrophobicContact CZ3-CG1 4.02Å; W428-I439 VanDerWaalsContact CZ3-N 3.27Å; W428-V455 HydrophobicContact CB-CG1 4.28Å; W428-R456 CarbonylContact C-O 3.59Å; W428-R456 WeakPolarHBondContact CA-O 3.49Å; W428-R456 WeakPolarHBondContact CB-O 3.39Å
429	A	97.4	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.6	174.7	0	0	0	0	0	110.9	I435 V455 R456 L458 W463 M471	A429-I435 CarbonylContact C-O 3.57Å; A429-I435 WeakPolarHBondContact CA-O 3.44Å; A429-I435 WeakPolarHBondContact CB-O 3.4Å; A429-V455 CarbonylContact O-C 3.44Å; A429-V455 VanDerWaalsContact O-CA 3.32Å; A429-V455 WeakPolarHBondContact O-CA 3.44Å; A429-R456 PolarHBondContact N-O 3.06Å; A429-R456 PolarHBondContact O-N 2.91Å; A429-L458 HydrophobicContact CB-CD2 4.14Å; A429-L458 HydrophobicContact CB-CG 4.25Å; A429-W463 HydrophobicContact CB-CH2 3.94Å; A429-W463 HydrophobicContact CB-CZ2 4.31Å; A429-M471 HydrophobicContact CB-CE 3.73Å; A429-M471 HydrophobicContact CB-SD 4.26Å
430	S	97.4	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.5	167.3	-176.7	0	0	0	0	109.4	N432 L433 G434 I435 S453 K454	S430-N432 PolarHBondContact O-N 3.01Å; S430-N432 PolarHBondContact OG-OD1 2.87Å; S430-L433 PolarHBondContact O-N 2.99Å; S430-G434 PolarHBondContact O-N 3.4Å; S430-I435 PolarHBondContact N-O 3.23Å; S430-I435 PolarHBondContact O-N 3.32Å; S430-S453 WeakPolarHBondContact CB-OG 3.47Å; S430-S453 PolarHBondContact OG-OG 2.94Å; S430-K454 CarbonylContact C-O 3.53Å; S430-K454 WeakPolarHBondContact CA-O 3.23Å
431	I	95.3	Very high	96	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-21	-164.4	71.3	-174.7	0	0	0	114.3	K454 R456 W463 L467 Q720	I431-K454 HydrophobicContact CD1-CB 4.14Å; I431-K454 HydrophobicContact CG1-CB 3.71Å; I431-K454 WeakPolarHBondContact CG1-O 3.27Å; I431-K454 PolarHBondContact N-O 3.02Å; I431-R456 HydrophobicContact CD1-CG 4.08Å; I431-R456 HydrophobicContact CG2-CB 3.96Å; I431-R456 HydrophobicContact CG2-CG 3.74Å; I431-W463 HydrophobicContact CG2-CH2 3.65Å; I431-W463 HydrophobicContact CG2-CZ3 3.97Å; I431-L467 HydrophobicContact CB-CD1 3.75Å; I431-L467 HydrophobicContact CB-CD2 4.37Å; I431-L467 HydrophobicContact CB-CG 4.31Å; I431-L467 HydrophobicContact CD1-CD1 4.19Å; I431-L467 HydrophobicContact CD1-CD2 3.96Å; I431-L467 HydrophobicContact CG1-CD1 4.22Å; I431-L467 HydrophobicContact CG2-CD1 4.39Å; I431-L467 HydrophobicContact CG2-CD2 4.23Å; I431-L467 HydrophobicContact CG2-CG 4.42Å; I431-Q720 HydrophobicContact CG1-CG 4.28Å
432	N	95.6	Very high	96.1	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.1	172	71.5	-61.5	0	0	0	113.2	S430 F452 S453 K454 F717 Q720 N721	S430-N432 PolarHBondContact O-N 3.01Å; S430-N432 PolarHBondContact OG-OD1 2.87Å; N432-F452 PolarHBondContact ND2-O 3.48Å; N432-S453 WeakPolarHBondContact OD1-CA 3.32Å; N432-K454 HydrophobicContact CB-CD 4.35Å; N432-K454 PolarHBondContact OD1-N 2.8Å; N432-F717 WeakPolarHBondContact O-CE2 3.45Å; N432-Q720 HydrophobicContact CB-CB 3.88Å; N432-Q720 VanDerWaalsContact CB-O 3.23Å; N432-Q720 WeakPolarHBondContact CB-O 3.26Å; N432-N721 PolarHBondContact ND2-OD1 3.02Å; N432-N721 PolarHBondContact O-ND2 2.64Å; N432-N721 PolarHBondContact O-OD1 3.01Å
433	L	95.8	Very high	96.2	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.073	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-19.5	-178.9	-63.8	178.2	0	0	0	112.7	S430 I435 I479 Y512	S430-L433 PolarHBondContact O-N 2.99Å; L433-I435 HydrophobicContact CB-CD1 4.11Å; L433-I435 HydrophobicContact CB-CG1 3.99Å; L433-I435 HydrophobicContact CB-CG2 4.49Å; L433-I435 HydrophobicContact CD1-CD1 3.88Å; L433-I479 WeakPolarHBondContact O-CD1 3.47Å; L433-I479 VanDerWaalsContact O-CG1 3.28Å; L433-I479 WeakPolarHBondContact O-CG1 3.5Å; L433-Y512 HydrophobicContact CD1-CD1 3.99Å; L433-Y512 HydrophobicContact CD1-CE1 3.97Å; L433-Y512 HydrophobicContact CD1-CG 4.43Å
434	G	95.4	Very high	96.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	32.4	-178.4	0	0	0	0	0	114.4	S430 G475	S430-G434 PolarHBondContact O-N 3.4Å; G434-G475 WeakPolarHBondContact O-CA 3.49Å; G434-G475 PolarHBondContact O-N 3.28Å
435	I	97.2	Very high	96.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.4	-174.2	62.3	179.1	0	0	0	113.8	C419 A429 S430 L433 L437 N476 I479 Y512	C419-I435 HydrophobicContact CB-CB 4.01Å; C419-I435 HydrophobicContact CB-CD1 4.29Å; C419-I435 HydrophobicContact CB-CG2 4.37Å; A429-I435 CarbonylContact C-O 3.57Å; A429-I435 WeakPolarHBondContact CA-O 3.44Å; A429-I435 WeakPolarHBondContact CB-O 3.4Å; S430-I435 PolarHBondContact N-O 3.23Å; S430-I435 PolarHBondContact O-N 3.32Å; L433-I435 HydrophobicContact CB-CD1 4.11Å; L433-I435 HydrophobicContact CB-CG1 3.99Å; L433-I435 HydrophobicContact CB-CG2 4.49Å; L433-I435 HydrophobicContact CD1-CD1 3.88Å; I435-L437 HydrophobicContact CD1-CD2 3.99Å; I435-L437 HydrophobicContact CD1-CG 4.48Å; I435-L437 HydrophobicContact CG1-CD2 4.35Å; I435-L437 HydrophobicContact CG1-CG 4.41Å; I435-N476 WeakPolarHBondContact CA-OD1 3.4Å; I435-N476 VanDerWaalsContact CB-OD1 3.23Å; I435-N476 WeakPolarHBondContact CB-OD1 3.41Å; I435-I479 HydrophobicContact CG2-CB 3.57Å; I435-I479 HydrophobicContact CG2-CG1 3.67Å; I435-I479 HydrophobicContact CG2-CG2 3.51Å; I435-Y512 HydrophobicContact CD1-CE1 4.4Å; I435-Y512 HydrophobicContact CD1-CE2 4.4Å; I435-Y512 VanDerWaalsContact CD1-OH 3.23Å; I435-Y512 WeakPolarHBondContact CD1-OH 3.18Å
436	T	97.8	Very high	96.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143.2	171.7	66.7	0	0	0	0	112.6	V409 N415 C419 P426 W428 L458 N476	V409-T436 HydrophobicContact CG1-CG2 3.51Å; N415-T436 HydrophobicContact CB-CG2 3.84Å; N415-T436 PolarHBondContact O-OG1 3.16Å; C419-T436 PolarHBondContact N-O 3.3Å; P426-T436 VanDerWaalsContact CG-OG1 3.31Å; P426-T436 WeakPolarHBondContact CG-OG1 3.36Å; W428-T436 CarbonylContact O-C 3.46Å; W428-T436 WeakPolarHBondContact O-CA 3.42Å; T436-L458 HydrophobicContact CG2-CD1 4.17Å; T436-N476 PolarHBondContact N-OD1 2.95Å; T436-N476 PolarHBondContact O-ND2 2.98Å; T436-N476 PolarHBondContact OG1-ND2 3.05Å
437	L	97.4	Very high	96.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145	-168.5	-60.1	175.2	0	0	0	111.6	C419 D420 P426 R427 W428 I435 C441 H445	C419-L437 HydrophobicContact CB-CD2 4.25Å; D420-L437 WeakPolarHBondContact OD2-CD2 3.3Å; P426-L437 VanDerWaalsContact CB-C 3.48Å; P426-L437 VanDerWaalsContact CB-O 3.25Å; P426-L437 WeakPolarHBondContact CB-O 3.28Å; R427-L437 PolarHBondContact N-O 3.13Å; W428-L437 HydrophobicContact CB-CB 4.3Å; W428-L437 PolarHBondContact N-O 3.22Å; W428-L437 VanDerWaalsContact N-O 3.08Å; W428-L437 PolarHBondContact O-N 3.4Å; I435-L437 HydrophobicContact CD1-CD2 3.99Å; I435-L437 HydrophobicContact CD1-CG 4.48Å; I435-L437 HydrophobicContact CG1-CD2 4.35Å; I435-L437 HydrophobicContact CG1-CG 4.41Å; L437-C441 HydrophobicContact CD2-CB 4.19Å; L437-H445 HydrophobicContact CD1-CB 3.98Å
438	C	96.6	Very high	96.4	Very high	3 Å²	3	23 Å²	23	2%	0.02	12%	0.118	C	C	.	.			trans	-77.8	176.2	167	74.7	0	0	0	0	111.6	C418 C421 Q423 W428 Q440 C441 S442	C418-C438 HydrophobicContact CB-CB 4.01Å; C418-C438 PolarHBondContact SG-N 3.26Å; C421-C438 VanDerWaalsContact SG-SG 3.6Å; Q423-C438 HydrophobicContact CB-CB 4.09Å; Q423-C438 HydrophobicContact CG-CB 4.2Å; Q423-C438 PolarHBondContact OE1-SG 3.31Å; W428-C438 VanDerWaalsContact CE3-C 3.49Å; C438-Q440 VanDerWaalsContact C-N 3.31Å; C438-Q440 PolarHBondContact O-N 3.32Å; C438-C441 PolarHBondContact SG-N 3.12Å; C438-C441 VanDerWaalsContact SG-SG 3.66Å; C438-S442 WeakPolarHBondContact O-CB 3.39Å; C438-S442 PolarHBondContact O-N 2.82Å; C438-S442 PolarHBondContact O-OG 3.5Å; C438-S442 VanDerWaalsContact O-OG 3.12Å
439	I	95.1	Very high	96.1	Very high	113 Å²	113	21.6 Å²	21.6	58%	0.579	12%	0.12	S	C	*	.	H	α-helix	trans	-60.8	-38.2	-177.9	-164	168.6	0	0	0	112.9	W428 S442 G443	W428-I439 HydrophobicContact CE3-CB 4.14Å; W428-I439 HydrophobicContact CH2-CB 3.49Å; W428-I439 VanDerWaalsContact CH2-CB 3.49Å; W428-I439 HydrophobicContact CH2-CD1 3.81Å; W428-I439 HydrophobicContact CH2-CG1 3.59Å; W428-I439 HydrophobicContact CZ2-CB 4.27Å; W428-I439 HydrophobicContact CZ2-CD1 4.19Å; W428-I439 HydrophobicContact CZ2-CG1 3.94Å; W428-I439 HydrophobicContact CZ3-CB 3.4Å; W428-I439 VanDerWaalsContact CZ3-CB 3.4Å; W428-I439 HydrophobicContact CZ3-CG1 4.02Å; W428-I439 VanDerWaalsContact CZ3-N 3.27Å; I439-S442 PolarHBondContact O-OG 3.46Å; I439-G443 PolarHBondContact O-N 2.81Å; I439-G443 VanDerWaalsContact O-N 3.12Å
440	Q	95.7	Very high	95.8	Very high	56 Å²	56	26.8 Å²	26.8	26%	0.262	15%	0.151	S	C	.	.	H	α-helix	trans	-73.6	-49	-177.6	-176.6	177.4	-8.7	0	0	111.3	C438 G443 I444 D499	C438-Q440 VanDerWaalsContact C-N 3.31Å; C438-Q440 PolarHBondContact O-N 3.32Å; Q440-G443 PolarHBondContact O-N 3.14Å; Q440-I444 WeakPolarHBondContact O-CG1 3.45Å; Q440-I444 PolarHBondContact O-N 3.06Å; Q440-I444 VanDerWaalsContact O-N 3.13Å; Q440-D499 PolarHBondContact NE2-O 2.99Å
441	C	97.4	Very high	95.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.2	-38.3	178.6	-62.7	0	0	0	0	111.3	C418 C421 L437 C438 G443 I444 H445 I508	C418-C441 VanDerWaalsContact SG-SG 3.67Å; C421-C441 PolarHBondContact SG-SG 3.01Å; L437-C441 HydrophobicContact CD2-CB 4.19Å; C438-C441 PolarHBondContact SG-N 3.12Å; C438-C441 VanDerWaalsContact SG-SG 3.66Å; C441-G443 VanDerWaalsContact C-N 3.3Å; C441-G443 PolarHBondContact O-N 2.98Å; C441-I444 WeakPolarHBondContact O-CB 3.4Å; C441-I444 PolarHBondContact O-N 2.71Å; C441-I444 VanDerWaalsContact O-N 3.11Å; C441-H445 PolarHBondContact O-CD2 3.38Å; C441-H445 VanDerWaalsContact O-CD2 3.29Å; C441-H445 PolarHBondContact O-N 2.92Å; C441-I508 HydrophobicContact CB-CD1 3.99Å
442	S	97.2	Very high	95.2	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.028	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-35.5	175.3	79.6	0	0	0	0	112.3	C438 I439 I444 H445 R446	C438-S442 WeakPolarHBondContact O-CB 3.39Å; C438-S442 PolarHBondContact O-N 2.82Å; C438-S442 PolarHBondContact O-OG 3.5Å; C438-S442 VanDerWaalsContact O-OG 3.12Å; I439-S442 PolarHBondContact O-OG 3.46Å; S442-I444 VanDerWaalsContact C-N 3.35Å; S442-H445 PolarHBondContact O-N 2.99Å; S442-R446 WeakPolarHBondContact O-CG 3.3Å; S442-R446 PolarHBondContact O-N 3.4Å
443	G	96.2	Very high	95.2	Very high	23 Å²	23	36.3 Å²	36.3	24%	0.237	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-35.2	170.8	0	0	0	0	0	114	I439 Q440 C441 S447	I439-G443 PolarHBondContact O-N 2.81Å; I439-G443 VanDerWaalsContact O-N 3.12Å; Q440-G443 PolarHBondContact O-N 3.14Å; C441-G443 VanDerWaalsContact C-N 3.3Å; C441-G443 PolarHBondContact O-N 2.98Å; G443-S447 PolarHBondContact O-N 3.03Å
444	I	97.1	Very high	95.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.4	-45.6	174.7	-67	163.1	0	0	0	110.9	Q440 C441 S442 R446 S447 L448 R501 V504 E505 I508	Q440-I444 WeakPolarHBondContact O-CG1 3.45Å; Q440-I444 PolarHBondContact O-N 3.06Å; Q440-I444 VanDerWaalsContact O-N 3.13Å; C441-I444 WeakPolarHBondContact O-CB 3.4Å; C441-I444 PolarHBondContact O-N 2.71Å; C441-I444 VanDerWaalsContact O-N 3.11Å; S442-I444 VanDerWaalsContact C-N 3.35Å; I444-R446 PolarHBondContact O-N 3.32Å; I444-S447 WeakPolarHBondContact CA-OG 3.31Å; I444-S447 WeakPolarHBondContact O-CA 3.37Å; I444-S447 PolarHBondContact O-N 3.01Å; I444-S447 PolarHBondContact O-OG 2.88Å; I444-L448 PolarHBondContact O-N 2.89Å; I444-R501 HydrophobicContact CD1-CG 4.22Å; I444-R501 HydrophobicContact CG1-CG 4.36Å; I444-V504 HydrophobicContact CD1-CB 3.89Å; I444-V504 HydrophobicContact CD1-CG1 3.66Å; I444-E505 HydrophobicContact CD1-CB 4.07Å; I444-E505 HydrophobicContact CG1-CB 4.21Å; I444-E505 HydrophobicContact CG2-CB 4.02Å; I444-E505 HydrophobicContact CG2-CG 3.95Å; I444-I508 HydrophobicContact CB-CD1 4.13Å; I444-I508 HydrophobicContact CD1-CD1 4.06Å; I444-I508 HydrophobicContact CG2-CB 4.05Å; I444-I508 HydrophobicContact CG2-CD1 3.91Å; I444-I508 HydrophobicContact CG2-CG2 3.83Å
445	H	97.3	Very high	95.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-36.8	176.6	-90.3	-102.3	0	0	0	112.1	D420 L437 C441 S442 S447 L448 S453 V455 Y512	D420-H445 IonicContact OD2-NE2 3.74Å; D420-H445 PolarHBondContact OD2-NE2 3.44Å; L437-H445 HydrophobicContact CD1-CB 3.98Å; C441-H445 PolarHBondContact O-CD2 3.38Å; C441-H445 VanDerWaalsContact O-CD2 3.29Å; C441-H445 PolarHBondContact O-N 2.92Å; S442-H445 PolarHBondContact O-N 2.99Å; H445-S447 PolarHBondContact O-N 2.99Å; H445-L448 PolarHBondContact O-N 3.29Å; H445-S453 WeakPolarHBondContact CB-OG 3.31Å; H445-S453 VanDerWaalsContact ND1-CB 3.33Å; H445-S453 WeakPolarHBondContact ND1-CB 3.35Å; H445-S453 PolarHBondContact ND1-OG 3.42Å; H445-V455 HydrophobicContact CB-CG2 3.61Å; H445-Y512 AromaticContact CE1-CD2 3.62Å; H445-Y512 AromaticContact CE1-CE2 3.4Å; H445-Y512 WeakPolarHBondContact CE1-CE2 3.41Å; H445-Y512 AromaticContact NE2-CD2 3.88Å; H445-Y512 AromaticContact NE2-CE2 3.5Å
446	R	96	Very high	95.2	Very high	126 Å²	126	42.8 Å²	42.8	48%	0.475	22%	0.22	S	C	.	.	H	α-helix	trans	-62.5	-36.9	171.6	-72.2	177.9	-168.3	-75.4	4.3	113.2	S442 I444 L448 G449 V455	S442-R446 WeakPolarHBondContact O-CG 3.3Å; S442-R446 PolarHBondContact O-N 3.4Å; I444-R446 PolarHBondContact O-N 3.32Å; R446-L448 VanDerWaalsContact C-N 3.32Å; R446-L448 PolarHBondContact O-N 3.12Å; R446-G449 PolarHBondContact O-N 3.14Å; R446-V455 HydrophobicContact CG-CB 3.87Å; R446-V455 HydrophobicContact CG-CG1 4.33Å; R446-V455 HydrophobicContact CG-CG2 3.91Å; R446-V455 PolarHBondContact NH1-O 3.37Å
447	S	95.9	Very high	95.1	Very high	70 Å²	70	43 Å²	43	49%	0.49	22%	0.221	S	C	.	.	H	α-helix	trans	-76.9	-10.9	177.9	51.1	0	0	0	0	114.9	G443 I444 H445 G449	G443-S447 PolarHBondContact O-N 3.03Å; I444-S447 WeakPolarHBondContact CA-OG 3.31Å; I444-S447 WeakPolarHBondContact O-CA 3.37Å; I444-S447 PolarHBondContact O-N 3.01Å; I444-S447 PolarHBondContact O-OG 2.88Å; H445-S447 PolarHBondContact O-N 2.99Å; S447-G449 VanDerWaalsContact C-N 3.31Å
448	L	94.1	Very high	94.8	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-72.1	-28.5	168.2	-55.8	-177.1	0	0	0	111.9	I444 H445 R446 F452 I508 K509 V513	I444-L448 PolarHBondContact O-N 2.89Å; H445-L448 PolarHBondContact O-N 3.29Å; R446-L448 VanDerWaalsContact C-N 3.32Å; R446-L448 PolarHBondContact O-N 3.12Å; L448-F452 HydrophobicContact CB-CB 3.91Å; L448-F452 HydrophobicContact CB-CD2 4.17Å; L448-F452 HydrophobicContact CB-CG 4.42Å; L448-F452 HydrophobicContact CD1-CB 4.22Å; L448-I508 HydrophobicContact CD1-CG2 4.02Å; L448-K509 HydrophobicContact CD2-CG 3.7Å; L448-V513 HydrophobicContact CD1-CG2 4.31Å; L448-V513 HydrophobicContact CD2-CG2 4.08Å
449	G	91.3	Very high	94.4	Very high	23 Å²	23	46.7 Å²	46.7	24%	0.237	24%	0.244	C	C	.	.			trans	94	159.2	-174.5	0	0	0	0	0	113.8	R446 S447 H451 F452 S453	R446-G449 PolarHBondContact O-N 3.14Å; S447-G449 VanDerWaalsContact C-N 3.31Å; G449-H451 PolarHBondContact O-N 3.35Å; G449-H451 VanDerWaalsContact O-N 3.07Å; G449-F452 PolarHBondContact O-N 3.45Å; G449-S453 PolarHBondContact O-N 3.33Å
450	V	90.9	Very high	94.1	Very high	108 Å²	108	48.1 Å²	48.1	66%	0.655	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.9	-169	-61.1	0	0	0	0	115.4	K454	V450-K454 HydrophobicContact CB-CG 4.43Å; V450-K454 WeakPolarHBondContact O-CE 3.49Å; V450-K454 WeakPolarHBondContact O-CG 3.27Å
451	H	86.4	Confident	93.8	Very high	141 Å²	141	48.5 Å²	48.5	65%	0.653	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-19.9	175.6	55.2	-85.8	0	0	0	112.7	G449	G449-H451 PolarHBondContact O-N 3.35Å; G449-H451 VanDerWaalsContact O-N 3.07Å
452	F	92.5	Very high	93.2	Very high	60 Å²	60	54 Å²	54	26%	0.263	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-44.1	169.4	-69.5	-66.9	0	0	0	112	N432 L448 G449 V513	N432-F452 PolarHBondContact ND2-O 3.48Å; L448-F452 HydrophobicContact CB-CB 3.91Å; L448-F452 HydrophobicContact CB-CD2 4.17Å; L448-F452 HydrophobicContact CB-CG 4.42Å; L448-F452 HydrophobicContact CD1-CB 4.22Å; G449-F452 PolarHBondContact O-N 3.45Å; F452-V513 HydrophobicContact CD1-CG2 4.06Å; F452-V513 HydrophobicContact CD2-CG2 4.08Å; F452-V513 HydrophobicContact CE1-CB 4.24Å; F452-V513 HydrophobicContact CE1-CG1 4.12Å; F452-V513 HydrophobicContact CE1-CG2 4.03Å; F452-V513 HydrophobicContact CE2-CG1 4.24Å; F452-V513 HydrophobicContact CE2-CG2 4.04Å; F452-V513 HydrophobicContact CG-CG2 4.11Å; F452-V513 HydrophobicContact CZ-CB 4.27Å; F452-V513 HydrophobicContact CZ-CG1 3.74Å; F452-V513 HydrophobicContact CZ-CG2 4.03Å
453	S	96.4	Very high	92.8	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.028	30%	0.3	C	S	.	.			trans	-148.3	128.8	-173.9	-176.3	0	0	0	0	113.9	S430 N432 H445 G449	S430-S453 WeakPolarHBondContact CB-OG 3.47Å; S430-S453 PolarHBondContact OG-OG 2.94Å; N432-S453 WeakPolarHBondContact OD1-CA 3.32Å; H445-S453 WeakPolarHBondContact CB-OG 3.31Å; H445-S453 VanDerWaalsContact ND1-CB 3.33Å; H445-S453 WeakPolarHBondContact ND1-CB 3.35Å; H445-S453 PolarHBondContact ND1-OG 3.42Å; G449-S453 PolarHBondContact O-N 3.33Å
454	K	96.3	Very high	92.4	Very high	42 Å²	42	57.1 Å²	57.1	18%	0.183	30%	0.3	C	S	.	.			trans	-107.3	94.7	178.2	-67.9	-178.4	179.4	172.2	0	110	S430 I431 N432 V450 Q720	S430-K454 CarbonylContact C-O 3.53Å; S430-K454 WeakPolarHBondContact CA-O 3.23Å; I431-K454 HydrophobicContact CD1-CB 4.14Å; I431-K454 HydrophobicContact CG1-CB 3.71Å; I431-K454 WeakPolarHBondContact CG1-O 3.27Å; I431-K454 PolarHBondContact N-O 3.02Å; N432-K454 HydrophobicContact CB-CD 4.35Å; N432-K454 PolarHBondContact OD1-N 2.8Å; V450-K454 HydrophobicContact CB-CG 4.43Å; V450-K454 WeakPolarHBondContact O-CE 3.49Å; V450-K454 WeakPolarHBondContact O-CG 3.27Å; K454-Q720 WeakPolarHBondContact CD-O 3.4Å; K454-Q720 VanDerWaalsContact CE-O 3.22Å; K454-Q720 WeakPolarHBondContact CE-O 3.28Å; K454-Q720 PolarHBondContact NZ-O 3.45Å
455	V	96.5	Very high	91.8	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.024	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.3	-173.3	-177.2	0	0	0	0	112.7	W428 A429 H445 R446	W428-V455 HydrophobicContact CB-CG1 4.28Å; A429-V455 CarbonylContact O-C 3.44Å; A429-V455 VanDerWaalsContact O-CA 3.32Å; A429-V455 WeakPolarHBondContact O-CA 3.44Å; H445-V455 HydrophobicContact CB-CG2 3.61Å; R446-V455 HydrophobicContact CG-CB 3.87Å; R446-V455 HydrophobicContact CG-CG1 4.33Å; R446-V455 HydrophobicContact CG-CG2 3.91Å; R446-V455 PolarHBondContact NH1-O 3.37Å
456	R	95.6	Very high	91.3	Very high	105 Å²	105	58.9 Å²	58.9	40%	0.396	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	157.1	170.3	-68.6	-67	179.9	-87.7	4.7	111.5	W428 A429 I431 D461 W463	W428-R456 CarbonylContact C-O 3.59Å; W428-R456 WeakPolarHBondContact CA-O 3.49Å; W428-R456 WeakPolarHBondContact CB-O 3.39Å; A429-R456 PolarHBondContact N-O 3.06Å; A429-R456 PolarHBondContact O-N 2.91Å; I431-R456 HydrophobicContact CD1-CG 4.08Å; I431-R456 HydrophobicContact CG2-CB 3.96Å; I431-R456 HydrophobicContact CG2-CG 3.74Å; R456-D461 WeakPolarHBondContact CA-OD2 3.47Å; R456-D461 WeakPolarHBondContact CB-OD2 3.37Å; R456-D461 WeakPolarHBondContact CD-OD2 3.37Å; R456-W463 HydrophobicContact CB-CH2 4.2Å; R456-W463 HydrophobicContact CB-CZ2 3.77Å
457	S	94.8	Very high	91.1	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.028	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.5	170.4	179.1	0	0	0	0	110.5	T459 L460 D461 W463	S457-T459 PolarHBondContact O-N 3.35Å; S457-T459 PolarHBondContact OG-N 2.7Å; S457-T459 PolarHBondContact OG-OG1 3.34Å; S457-L460 WeakPolarHBondContact OG-CB 3.34Å; S457-L460 PolarHBondContact OG-N 3.3Å; S457-D461 PolarHBondContact N-OD2 3.41Å; S457-W463 PolarHBondContact O-NE1 2.84Å
458	L	92.3	Very high	90.8	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.4	175.7	-69.2	166.6	0	0	0	113.2	L406 V409 R427 A429 T436 W463	L406-L458 HydrophobicContact CB-CB 4.25Å; L406-L458 HydrophobicContact CD1-CB 3.65Å; L406-L458 HydrophobicContact CD1-CD1 3.94Å; L406-L458 HydrophobicContact CD1-CG 4.43Å; L406-L458 PolarHBondContact N-O 2.88Å; V409-L458 HydrophobicContact CB-CD2 3.96Å; V409-L458 HydrophobicContact CG1-CD1 4.47Å; V409-L458 HydrophobicContact CG1-CD2 4.06Å; V409-L458 HydrophobicContact CG2-CD2 3.97Å; R427-L458 PolarHBondContact O-N 3.16Å; A429-L458 HydrophobicContact CB-CD2 4.14Å; A429-L458 HydrophobicContact CB-CG 4.25Å; T436-L458 HydrophobicContact CG2-CD1 4.17Å; L458-W463 HydrophobicContact CD2-CH2 4.07Å; L458-W463 HydrophobicContact CD2-CZ2 3.61Å; L458-W463 HydrophobicContact CG-CZ2 4.33Å
459	T	87.9	Confident	90.7	Very high	76 Å²	76	53.9 Å²	53.9	47%	0.466	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-20.3	-176	55	0	0	0	0	114.9	L406 S457	L406-T459 HydrophobicContact CB-CG2 4.26Å; L406-T459 HydrophobicContact CD1-CG2 4.31Å; L406-T459 HydrophobicContact CD2-CG2 3.79Å; L406-T459 HydrophobicContact CG-CG2 4.35Å; S457-T459 PolarHBondContact O-N 3.35Å; S457-T459 PolarHBondContact OG-N 2.7Å; S457-T459 PolarHBondContact OG-OG1 3.34Å
460	L	87.8	Confident	90.7	Very high	142 Å²	142	52.8 Å²	52.8	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-27.3	-174.9	-56.3	176.1	0	0	0	114	S457	S457-L460 WeakPolarHBondContact OG-CB 3.34Å; S457-L460 PolarHBondContact OG-N 3.3Å
461	D	89.3	Confident	90.8	Very high	65 Å²	65	47.6 Å²	47.6	35%	0.348	24%	0.242	S	C	.	.	S	Bend	trans	-91.5	152	178.8	-63.4	-29.6	0	0	0	110.3	R456 S457 W463	R456-D461 WeakPolarHBondContact CA-OD2 3.47Å; R456-D461 WeakPolarHBondContact CB-OD2 3.37Å; R456-D461 WeakPolarHBondContact CD-OD2 3.37Å; S457-D461 PolarHBondContact N-OD2 3.41Å; D461-W463 VanDerWaalsContact O-CD1 3.24Å
462	S	85.9	Confident	91	Very high	114 Å²	114	43 Å²	43	80%	0.797	23%	0.225	S	C	*	.			trans	-71	144	165.9	49.6	0	0	0	0	110.7
463	W	88.1	Confident	90.9	Very high	40 Å²	40	44.9 Å²	44.9	15%	0.152	24%	0.235	C	C	.	.			trans	-118.7	121.2	-178.1	-78.7	80.5	0	0	0	110.9	A405 A429 I431 R456 S457 L458 D461 L467 M471	A405-W463 HydrophobicContact CB-CB 4.03Å; A405-W463 HydrophobicContact CB-CD2 4.22Å; A405-W463 HydrophobicContact CB-CG 3.65Å; A429-W463 HydrophobicContact CB-CH2 3.94Å; A429-W463 HydrophobicContact CB-CZ2 4.31Å; I431-W463 HydrophobicContact CG2-CH2 3.65Å; I431-W463 HydrophobicContact CG2-CZ3 3.97Å; R456-W463 HydrophobicContact CB-CH2 4.2Å; R456-W463 HydrophobicContact CB-CZ2 3.77Å; S457-W463 PolarHBondContact O-NE1 2.84Å; L458-W463 HydrophobicContact CD2-CH2 4.07Å; L458-W463 HydrophobicContact CD2-CZ2 3.61Å; L458-W463 HydrophobicContact CG-CZ2 4.33Å; D461-W463 VanDerWaalsContact O-CD1 3.24Å; W463-L467 HydrophobicContact CE3-CD2 4.2Å; W463-L467 HydrophobicContact CE3-CG 4.12Å; W463-L467 HydrophobicContact CZ3-CD2 4.18Å; W463-L467 HydrophobicContact CZ3-CG 3.96Å; W463-M471 HydrophobicContact CH2-CG 3.95Å; W463-M471 HydrophobicContact CZ3-CB 4.49Å; W463-M471 HydrophobicContact CZ3-CG 3.53Å
464	E	87.3	Confident	90.6	Very high	54 Å²	54	44.7 Å²	44.7	25%	0.252	23%	0.234	S	C	.	.			trans	-73.5	143.1	175.2	-45.3	-158.7	143.6	0	0	109.9	E466 L467 L468 K753 R754	E464-E466 VanDerWaalsContact C-N 3.3Å; E464-E466 PolarHBondContact O-N 3.45Å; E464-L467 HydrophobicContact CB-CB 4.16Å; E464-L467 PolarHBondContact O-N 3.28Å; E464-L467 VanDerWaalsContact O-N 3.17Å; E464-L468 WeakPolarHBondContact O-CB 3.38Å; E464-L468 PolarHBondContact O-N 2.68Å; E464-K753 VanDerWaalsContact OE1-CE 3.29Å; E464-K753 WeakPolarHBondContact OE1-CE 3.48Å; E464-K753 IonicContact OE1-NZ 2.77Å; E464-K753 PolarHBondContact OE1-NZ 3.36Å; E464-K753 IonicContact OE2-NZ 2.82Å; E464-K753 PolarHBondContact OE2-NZ 2.86Å; E464-R754 IonicContact OE2-NH2 2.95Å
465	P	86.3	Confident	90.3	Very high	32 Å²	32	42.8 Å²	42.8	21%	0.208	23%	0.226	C	C	.	.	H	α-helix	trans	-53.5	-41	-177.2	-29.6	37.3	0	0	0	114.7	L468 K469 T816 S820	P465-L468 PolarHBondContact O-N 2.95Å; P465-K469 WeakPolarHBondContact O-CG 3.42Å; P465-K469 PolarHBondContact O-N 3.34Å; P465-T816 HydrophobicContact CG-CG2 4.33Å; P465-S820 WeakPolarHBondContact CB-OG 3.42Å
466	E	86.9	Confident	90.3	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.019	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-42.5	-179.3	-60.9	63.3	-138.1	0	0	110.6	E464 L468 K469 L470 L712 E716 T816 S820	E464-E466 VanDerWaalsContact C-N 3.3Å; E464-E466 PolarHBondContact O-N 3.45Å; E466-L468 VanDerWaalsContact C-N 3.33Å; E466-K469 WeakPolarHBondContact O-CB 3.43Å; E466-K469 PolarHBondContact O-N 3.36Å; E466-L470 WeakPolarHBondContact O-CB 3.39Å; E466-L470 PolarHBondContact O-N 3.41Å; E466-L712 HydrophobicContact CG-CD2 3.53Å; E466-L712 HydrophobicContact CG-CG 3.74Å; E466-E716 HydrophobicContact CB-CB 4.34Å; E466-E716 HydrophobicContact CB-CG 4.18Å; E466-T816 VanDerWaalsContact OE1-CG2 3.24Å; E466-T816 WeakPolarHBondContact OE1-CG2 3.49Å; E466-T816 VanDerWaalsContact OE1-O 3.04Å; E466-T816 WeakPolarHBondContact OE2-CG2 3.47Å; E466-S820 VanDerWaalsContact CD-OG 3.22Å; E466-S820 PolarHBondContact N-OG 3.28Å; E466-S820 WeakPolarHBondContact OE1-CB 3.45Å; E466-S820 PolarHBondContact OE1-OG 2.95Å
467	L	90.2	Very high	90.2	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.052	24%	0.236	C	C	.	.	H	α-helix	trans	-68.7	-36	179.1	-167.1	61.3	0	0	0	111.4	I431 W463 E464 L470 M471 E716 Q720	I431-L467 HydrophobicContact CB-CD1 3.75Å; I431-L467 HydrophobicContact CB-CD2 4.37Å; I431-L467 HydrophobicContact CB-CG 4.31Å; I431-L467 HydrophobicContact CD1-CD1 4.19Å; I431-L467 HydrophobicContact CD1-CD2 3.96Å; I431-L467 HydrophobicContact CG1-CD1 4.22Å; I431-L467 HydrophobicContact CG2-CD1 4.39Å; I431-L467 HydrophobicContact CG2-CD2 4.23Å; I431-L467 HydrophobicContact CG2-CG 4.42Å; W463-L467 HydrophobicContact CE3-CD2 4.2Å; W463-L467 HydrophobicContact CE3-CG 4.12Å; W463-L467 HydrophobicContact CZ3-CD2 4.18Å; W463-L467 HydrophobicContact CZ3-CG 3.96Å; E464-L467 HydrophobicContact CB-CB 4.16Å; E464-L467 PolarHBondContact O-N 3.28Å; E464-L467 VanDerWaalsContact O-N 3.17Å; L467-L470 HydrophobicContact CD1-CD2 4.34Å; L467-M471 WeakPolarHBondContact O-CG 3.49Å; L467-M471 PolarHBondContact O-N 3.42Å; L467-M471 VanDerWaalsContact O-N 3.12Å; L467-E716 HydrophobicContact CD1-CG 4.34Å; L467-E716 WeakPolarHBondContact CD1-OE1 3.37Å; L467-Q720 HydrophobicContact CD1-CG 3.94Å
468	L	91.3	Very high	90.2	Very high	25 Å²	25	47.1 Å²	47.1	13%	0.131	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-40.7	174.2	-174.9	57.2	0	0	0	111.4	A405 K408 V409 E464 P465 E466 M471 C472	A405-L468 HydrophobicContact CB-CD1 3.9Å; A405-L468 HydrophobicContact CB-CD2 4.5Å; K408-L468 HydrophobicContact CB-CD1 4.42Å; K408-L468 HydrophobicContact CD-CD2 3.93Å; K408-L468 HydrophobicContact CD-CG 4.48Å; V409-L468 HydrophobicContact CG2-CD1 3.64Å; E464-L468 WeakPolarHBondContact O-CB 3.38Å; E464-L468 PolarHBondContact O-N 2.68Å; P465-L468 PolarHBondContact O-N 2.95Å; E466-L468 VanDerWaalsContact C-N 3.33Å; L468-M471 PolarHBondContact O-N 3.47Å; L468-C472 PolarHBondContact O-N 3.44Å; L468-C472 VanDerWaalsContact O-N 3.15Å; L468-C472 PolarHBondContact O-SG 3.32Å; L468-C472 VanDerWaalsContact O-SG 3.34Å
469	K	90.5	Very high	90.4	Very high	73 Å²	73	47 Å²	47	32%	0.317	25%	0.245	S	C	.	.	H	α-helix	trans	-60.1	-45.4	170.7	-77.6	-178.3	169.6	-156.1	0	112.3	P465 E466 M471 C472 E473 V713 S820	P465-K469 WeakPolarHBondContact O-CG 3.42Å; P465-K469 PolarHBondContact O-N 3.34Å; E466-K469 WeakPolarHBondContact O-CB 3.43Å; E466-K469 PolarHBondContact O-N 3.36Å; K469-M471 VanDerWaalsContact C-N 3.27Å; K469-M471 PolarHBondContact O-N 2.87Å; K469-C472 CarbonylContact O-C 3.57Å; K469-C472 WeakPolarHBondContact O-CA 3.25Å; K469-C472 WeakPolarHBondContact O-CB 3.39Å; K469-C472 PolarHBondContact O-N 3.32Å; K469-E473 PolarHBondContact O-N 3.21Å; K469-V713 HydrophobicContact CB-CG2 3.94Å; K469-V713 HydrophobicContact CD-CG2 4.08Å; K469-S820 WeakPolarHBondContact CE-O 3.24Å; K469-S820 PolarHBondContact NZ-O 2.87Å
470	L	91.7	Very high	90.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-55.5	-43.5	175.9	176.9	57.2	0	0	0	111.9	E466 L467 C472 E473 L474 L677 V713 E716 F717	E466-L470 WeakPolarHBondContact O-CB 3.39Å; E466-L470 PolarHBondContact O-N 3.41Å; L467-L470 HydrophobicContact CD1-CD2 4.34Å; L470-C472 PolarHBondContact O-N 3.43Å; L470-E473 PolarHBondContact O-N 2.93Å; L470-L474 HydrophobicContact CD1-CD1 3.96Å; L470-L474 HydrophobicContact CD1-CG 4.5Å; L470-L474 PolarHBondContact O-N 2.93Å; L470-L474 VanDerWaalsContact O-N 3.13Å; L470-L677 HydrophobicContact CD1-CD1 3.74Å; L470-L677 HydrophobicContact CD1-CD2 3.8Å; L470-L677 HydrophobicContact CD1-CG 4.42Å; L470-V713 HydrophobicContact CB-CG1 3.77Å; L470-V713 HydrophobicContact CD1-CG1 3.99Å; L470-V713 HydrophobicContact CG-CG1 4.5Å; L470-E716 HydrophobicContact CD2-CG 4.22Å; L470-F717 HydrophobicContact CD1-CB 3.82Å; L470-F717 HydrophobicContact CD1-CD2 3.87Å; L470-F717 HydrophobicContact CD1-CG 4.25Å; L470-F717 HydrophobicContact CD2-CB 4.12Å; L470-F717 HydrophobicContact CD2-CD2 4.26Å
471	M	93.2	Very high	91.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70.7	-13.3	175	-69.7	-59.2	-47.2	0	0	114.6	V409 A429 W463 L467 L468 K469	V409-M471 HydrophobicContact CG1-CB 4.24Å; V409-M471 HydrophobicContact CG1-CE 3.9Å; V409-M471 HydrophobicContact CG2-CB 3.66Å; A429-M471 HydrophobicContact CB-CE 3.73Å; A429-M471 HydrophobicContact CB-SD 4.26Å; W463-M471 HydrophobicContact CH2-CG 3.95Å; W463-M471 HydrophobicContact CZ3-CB 4.49Å; W463-M471 HydrophobicContact CZ3-CG 3.53Å; L467-M471 WeakPolarHBondContact O-CG 3.49Å; L467-M471 PolarHBondContact O-N 3.42Å; L467-M471 VanDerWaalsContact O-N 3.12Å; L468-M471 PolarHBondContact O-N 3.47Å; K469-M471 VanDerWaalsContact C-N 3.27Å; K469-M471 PolarHBondContact O-N 2.87Å
472	C	91.3	Very high	91.5	Very high	44 Å²	44	42.3 Å²	42.3	30%	0.297	21%	0.214	S	C	.	.	H	α-helix	trans	-96	-24.5	175	-71.3	0	0	0	0	113.5	I412 L468 K469 L470	I412-C472 HydrophobicContact CD1-CB 4.1Å; I412-C472 WeakPolarHBondContact CD1-O 3.46Å; L468-C472 PolarHBondContact O-N 3.44Å; L468-C472 VanDerWaalsContact O-N 3.15Å; L468-C472 PolarHBondContact O-SG 3.32Å; L468-C472 VanDerWaalsContact O-SG 3.34Å; K469-C472 CarbonylContact O-C 3.57Å; K469-C472 WeakPolarHBondContact O-CA 3.25Å; K469-C472 WeakPolarHBondContact O-CB 3.39Å; K469-C472 PolarHBondContact O-N 3.32Å; L470-C472 PolarHBondContact O-N 3.43Å
473	E	89.9	Confident	92	Very high	99 Å²	99	37.6 Å²	37.6	46%	0.463	18%	0.178	S	C	.	.	H	α-helix	trans	-87.5	-27.7	175.7	-68.6	176	-147.5	0	0	112.5	K469 L470 L677	K469-E473 PolarHBondContact O-N 3.21Å; L470-E473 PolarHBondContact O-N 2.93Å; E473-L677 HydrophobicContact CB-CD1 3.57Å; E473-L677 HydrophobicContact CG-CD1 4.45Å; E473-L677 VanDerWaalsContact OE2-CD1 3.27Å; E473-L677 WeakPolarHBondContact OE2-CD1 3.48Å
474	L	88.9	Confident	92.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.176	C	C	.	.	S	Bend	trans	-98	170	167.7	-71.6	175.2	0	0	0	111.8	L470 I479 L677 F717	L470-L474 HydrophobicContact CD1-CD1 3.96Å; L470-L474 HydrophobicContact CD1-CG 4.5Å; L470-L474 PolarHBondContact O-N 2.93Å; L470-L474 VanDerWaalsContact O-N 3.13Å; L474-I479 HydrophobicContact CD2-CD1 4.39Å; L474-L677 HydrophobicContact CD2-CB 3.91Å; L474-L677 HydrophobicContact CG-CB 4.09Å; L474-L677 HydrophobicContact CG-CD1 4.4Å; L474-F717 HydrophobicContact CD1-CD2 3.98Å; L474-F717 HydrophobicContact CD1-CE2 3.77Å
475	G	91.3	Very high	92.7	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	18%	0.182	C	C	.	.			trans	-176.8	168.9	172.3	0	0	0	0	0	113.9	N415 G434 R477 V478 I479	N415-G475 WeakPolarHBondContact OD1-CA 3.41Å; G434-G475 WeakPolarHBondContact O-CA 3.49Å; G434-G475 PolarHBondContact O-N 3.28Å; G475-R477 PolarHBondContact O-N 3.2Å; G475-R477 VanDerWaalsContact O-N 3.09Å; G475-V478 PolarHBondContact O-N 3.01Å; G475-V478 VanDerWaalsContact O-N 3.09Å; G475-I479 PolarHBondContact O-N 3.33Å
476	N	95.5	Very high	93.1	Very high	3 Å²	3	39 Å²	39	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-54.7	-32.7	-176.1	-70.4	-8.8	0	0	0	113.4	G414 N415 C417 C419 I435 T436 N480	G414-N476 WeakPolarHBondContact O-CB 3.47Å; G414-N476 PolarHBondContact O-ND2 3Å; N415-N476 PolarHBondContact OD1-N 2.88Å; C417-N476 PolarHBondContact O-ND2 3.32Å; C419-N476 HydrophobicContact CB-CB 4.35Å; C419-N476 WeakPolarHBondContact CB-OD1 3.37Å; C419-N476 PolarHBondContact N-ND2 2.97Å; C419-N476 PolarHBondContact SG-OD1 3.16Å; I435-N476 WeakPolarHBondContact CA-OD1 3.4Å; I435-N476 VanDerWaalsContact CB-OD1 3.23Å; I435-N476 WeakPolarHBondContact CB-OD1 3.41Å; T436-N476 PolarHBondContact N-OD1 2.95Å; T436-N476 PolarHBondContact O-ND2 2.98Å; T436-N476 PolarHBondContact OG1-ND2 3.05Å; N476-N480 WeakPolarHBondContact O-CB 3.42Å; N476-N480 PolarHBondContact O-N 2.77Å; N476-N480 PolarHBondContact O-ND2 3.2Å; N476-N480 VanDerWaalsContact O-ND2 3.1Å
477	R	94.3	Very high	93.5	Very high	162 Å²	162	41.3 Å²	41.3	61%	0.611	20%	0.196	S	C	*	.	H	α-helix	trans	-64.4	-50.8	177.7	-168.8	-179.7	-146.2	177.9	7.1	111.6	P413 G475 N480 Q481	P413-R477 WeakPolarHBondContact O-CB 3.39Å; G475-R477 PolarHBondContact O-N 3.2Å; G475-R477 VanDerWaalsContact O-N 3.09Å; R477-N480 PolarHBondContact O-N 2.99Å; R477-Q481 VanDerWaalsContact O-CG 3.31Å; R477-Q481 WeakPolarHBondContact O-CG 3.49Å; R477-Q481 PolarHBondContact O-N 2.86Å
478	V	95.1	Very high	93.6	Very high	39 Å²	39	48.1 Å²	48.1	24%	0.236	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-46.8	179.7	178.6	0	0	0	0	110.2	G475 N480 Q481 I482 P678	G475-V478 PolarHBondContact O-N 3.01Å; G475-V478 VanDerWaalsContact O-N 3.09Å; V478-N480 PolarHBondContact O-N 3.5Å; V478-Q481 WeakPolarHBondContact O-CB 3.37Å; V478-Q481 PolarHBondContact O-N 3.32Å; V478-Q481 VanDerWaalsContact O-N 3.15Å; V478-I482 HydrophobicContact CG1-CD1 4.22Å; V478-I482 PolarHBondContact O-N 3.03Å; V478-P678 HydrophobicContact CG1-CB 3.88Å; V478-P678 HydrophobicContact CG1-CG 4.22Å
479	I	95.9	Very high	93.6	Very high	2 Å²	2	53 Å²	53	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-68.8	-34.5	-177.5	-59	-63.7	0	0	0	111.9	L433 I435 L474 G475 I482 Y483 Y512 A681	L433-I479 WeakPolarHBondContact O-CD1 3.47Å; L433-I479 VanDerWaalsContact O-CG1 3.28Å; L433-I479 WeakPolarHBondContact O-CG1 3.5Å; I435-I479 HydrophobicContact CG2-CB 3.57Å; I435-I479 HydrophobicContact CG2-CG1 3.67Å; I435-I479 HydrophobicContact CG2-CG2 3.51Å; L474-I479 HydrophobicContact CD2-CD1 4.39Å; G475-I479 PolarHBondContact O-N 3.33Å; I479-I482 PolarHBondContact O-N 3.48Å; I479-Y483 HydrophobicContact CG2-CD2 3.84Å; I479-Y483 HydrophobicContact CG2-CE2 4.48Å; I479-Y483 WeakPolarHBondContact O-CB 3.37Å; I479-Y483 PolarHBondContact O-N 3.25Å; I479-Y512 HydrophobicContact CG2-CE1 4.26Å; I479-A681 HydrophobicContact CD1-CB 4.06Å
480	N	95.9	Very high	93.6	Very high	31 Å²	31	53.3 Å²	53.3	17%	0.166	26%	0.255	C	S	.	.	H	α-helix	trans	-70.5	-32.8	171.8	-73.2	-29.8	0	0	0	112.6	C419 N476 R477 V478 I482 E484 K494 K511	C419-N480 PolarHBondContact O-ND2 3.04Å; C419-N480 PolarHBondContact SG-OD1 3.4Å; C419-N480 VanDerWaalsContact SG-OD1 3.36Å; N476-N480 WeakPolarHBondContact O-CB 3.42Å; N476-N480 PolarHBondContact O-N 2.77Å; N476-N480 PolarHBondContact O-ND2 3.2Å; N476-N480 VanDerWaalsContact O-ND2 3.1Å; R477-N480 PolarHBondContact O-N 2.99Å; V478-N480 PolarHBondContact O-N 3.5Å; N480-I482 PolarHBondContact O-N 2.77Å; N480-E484 HydrophobicContact CB-CG 4.31Å; N480-E484 CarbonylContact O-C 3.55Å; N480-E484 VanDerWaalsContact O-CA 3.31Å; N480-E484 WeakPolarHBondContact O-CA 2.82Å; N480-E484 VanDerWaalsContact O-CB 3.25Å; N480-E484 WeakPolarHBondContact O-CB 3.34Å; N480-E484 PolarHBondContact O-N 2.95Å; N480-E484 VanDerWaalsContact OD1-CD 3.29Å; N480-E484 PolarHBondContact OD1-OE1 3.33Å; N480-K494 PolarHBondContact ND2-NZ 2.99Å; N480-K511 WeakPolarHBondContact OD1-CE 3.31Å; N480-K511 PolarHBondContact OD1-NZ 2.93Å
481	Q	95.7	Very high	93.5	Very high	131 Å²	131	56.5 Å²	56.5	61%	0.612	29%	0.288	S	S	*	.	H	α-helix	trans	-61.5	-30.1	172.5	-75.6	168.5	-29.3	0	0	112.6	R477 V478 A485	R477-Q481 VanDerWaalsContact O-CG 3.31Å; R477-Q481 WeakPolarHBondContact O-CG 3.49Å; R477-Q481 PolarHBondContact O-N 2.86Å; V478-Q481 WeakPolarHBondContact O-CB 3.37Å; V478-Q481 PolarHBondContact O-N 3.32Å; V478-Q481 VanDerWaalsContact O-N 3.15Å; Q481-A485 WeakPolarHBondContact O-CB 3.29Å
482	I	96.1	Very high	93.4	Very high	23 Å²	23	57.5 Å²	57.5	12%	0.118	30%	0.296	C	S	.	.	H	α-helix	trans	-86.3	-58.1	177	-62.1	162	0	0	0	111	V478 I479 N480 A681 E682 A685	V478-I482 HydrophobicContact CG1-CD1 4.22Å; V478-I482 PolarHBondContact O-N 3.03Å; I479-I482 PolarHBondContact O-N 3.48Å; N480-I482 PolarHBondContact O-N 2.77Å; I482-A681 HydrophobicContact CD1-CB 4.02Å; I482-E682 HydrophobicContact CD1-CB 4.21Å; I482-E682 HydrophobicContact CG1-CB 4.37Å; I482-A685 HydrophobicContact CG2-CB 3.46Å; I482-A685 VanDerWaalsContact CG2-CB 3.46Å
483	Y	96.8	Very high	93.4	Very high	15 Å²	15	63.1 Å²	63.1	6%	0.059	31%	0.311	C	S	.	.	H	α-helix	trans	-85.9	-6	-170.6	-77.6	-91.9	0	0	0	114.9	I479 K511 Y512 R515 F517 V518 A685	I479-Y483 HydrophobicContact CG2-CD2 3.84Å; I479-Y483 HydrophobicContact CG2-CE2 4.48Å; I479-Y483 WeakPolarHBondContact O-CB 3.37Å; I479-Y483 PolarHBondContact O-N 3.25Å; Y483-K511 WeakPolarHBondContact CD1-O 3.42Å; Y483-Y512 AromaticContact CD1-CD1 3.74Å; Y483-Y512 HydrophobicContact CD1-CD1 3.74Å; Y483-Y512 HydrophobicContact CD1-CE1 4.14Å; Y483-Y512 HydrophobicContact CD2-CE1 4.39Å; Y483-Y512 AromaticContact CE1-CD1 3.9Å; Y483-Y512 HydrophobicContact CE1-CD1 3.9Å; Y483-Y512 HydrophobicContact CG-CD1 4.11Å; Y483-Y512 HydrophobicContact CG-CE1 4.03Å; Y483-R515 HydrophobicContact CE1-CG 4.47Å; Y483-F517 WeakPolarHBondContact O-CB 3.5Å; Y483-V518 HydrophobicContact CD1-CG2 3.94Å; Y483-V518 HydrophobicContact CE1-CG2 4.4Å; Y483-V518 HydrophobicContact CG-CG2 4.39Å; Y483-A685 HydrophobicContact CD2-CB 4.38Å; Y483-A685 HydrophobicContact CE1-CB 4Å; Y483-A685 HydrophobicContact CE2-CB 3.74Å
484	E	96.1	Very high	93.6	Very high	20 Å²	20	60.3 Å²	60.3	9%	0.093	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	13.3	172.4	-52.3	-171.4	158.4	0	0	112.4	N480 R486 R487 K494 Y507 K511	N480-E484 HydrophobicContact CB-CG 4.31Å; N480-E484 CarbonylContact O-C 3.55Å; N480-E484 VanDerWaalsContact O-CA 3.31Å; N480-E484 WeakPolarHBondContact O-CA 2.82Å; N480-E484 VanDerWaalsContact O-CB 3.25Å; N480-E484 WeakPolarHBondContact O-CB 3.34Å; N480-E484 PolarHBondContact O-N 2.95Å; N480-E484 VanDerWaalsContact OD1-CD 3.29Å; N480-E484 PolarHBondContact OD1-OE1 3.33Å; E484-R486 PolarHBondContact O-N 3.34Å; E484-R486 VanDerWaalsContact O-N 3.08Å; E484-R487 HydrophobicContact CB-CB 4.01Å; E484-R487 WeakPolarHBondContact O-CB 3.43Å; E484-R487 PolarHBondContact O-N 3.41Å; E484-K494 VanDerWaalsContact OE1-CE 3.3Å; E484-K494 WeakPolarHBondContact OE1-CE 3.45Å; E484-K494 IonicContact OE1-NZ 3.64Å; E484-K494 PolarHBondContact OE1-NZ 3.05Å; E484-K494 IonicContact OE2-NZ 2.68Å; E484-K494 PolarHBondContact OE2-NZ 3.19Å; E484-Y507 PolarHBondContact OE1-OH 3.17Å; E484-K511 HydrophobicContact CG-CD 4.1Å; E484-K511 WeakPolarHBondContact OE1-CE 3.34Å; E484-K511 IonicContact OE1-NZ 3.95Å; E484-K511 PolarHBondContact OE1-NZ 3.42Å
485	A	94.8	Very high	93.9	Very high	46 Å²	46	60.6 Å²	60.6	38%	0.38	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-41.7	-173.9	0	0	0	0	0	114.4	Q481 F517 R519	Q481-A485 WeakPolarHBondContact O-CB 3.29Å; A485-F517 PolarHBondContact N-O 2.99Å; A485-R519 HydrophobicContact CB-CB 3.87Å
486	R	94.9	Very high	93.9	Very high	89 Å²	89	65.2 Å²	65.2	34%	0.336	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	12.5	-178.9	-56.6	-170.5	65.2	-146	-5.8	113.7	E484 E488 E489 L490 F517 R519	E484-R486 PolarHBondContact O-N 3.34Å; E484-R486 VanDerWaalsContact O-N 3.08Å; R486-E488 VanDerWaalsContact C-N 3.28Å; R486-E488 PolarHBondContact O-N 3.02Å; R486-E489 IonicContact CZ-OE2 2.94Å; R486-E489 IonicContact NE-OE2 2.68Å; R486-E489 PolarHBondContact NE-OE2 3.03Å; R486-E489 IonicContact NH2-OE2 2.71Å; R486-E489 PolarHBondContact NH2-OE2 3.31Å; R486-E489 PolarHBondContact O-N 3.41Å; R486-L490 HydrophobicContact CB-CD1 4.13Å; R486-L490 HydrophobicContact CB-CG 4.41Å; R486-L490 WeakPolarHBondContact O-CB 3.5Å; R486-L490 VanDerWaalsContact O-CG 3.28Å; R486-L490 WeakPolarHBondContact O-CG 3.32Å; R486-L490 PolarHBondContact O-N 3.48Å; R486-F517 WeakPolarHBondContact CB-O 3.32Å; R486-F517 PolarHBondContact N-O 3.42Å; R486-R519 HydrophobicContact CG-CB 3.88Å; R486-R519 HydrophobicContact CG-CG 4.21Å
487	R	94.6	Very high	93.7	Very high	53 Å²	53	68.3 Å²	68.3	20%	0.2	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-44.2	-177.3	-179.1	-164.9	70.8	90.9	-4.8	111.7	E484 G491 A492 Y507 F517	E484-R487 HydrophobicContact CB-CB 4.01Å; E484-R487 WeakPolarHBondContact O-CB 3.43Å; E484-R487 PolarHBondContact O-N 3.41Å; R487-G491 PolarHBondContact O-N 2.87Å; R487-A492 HydrophobicContact CG-CB 3.97Å; R487-A492 WeakPolarHBondContact CG-O 3.47Å; R487-A492 PolarHBondContact NH1-O 3.38Å; R487-A492 WeakPolarHBondContact O-CB 3.49Å; R487-A492 PolarHBondContact O-N 2.99Å; R487-Y507 VanDerWaalsContact CD-OH 3.28Å; R487-Y507 WeakPolarHBondContact CD-OH 3.45Å; R487-F517 HydrophobicContact CB-CB 4.4Å; R487-F517 HydrophobicContact CB-CG 4.47Å
488	E	91	Very high	93.3	Very high	152 Å²	152	64 Å²	64	71%	0.71	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-41.5	-177.3	-67.5	177.2	-167.4	0	0	111.9	R486 L490 G491	R486-E488 VanDerWaalsContact C-N 3.28Å; R486-E488 PolarHBondContact O-N 3.02Å; E488-L490 PolarHBondContact O-N 3.12Å; E488-G491 PolarHBondContact O-N 3.07Å
489	E	91.2	Very high	93.2	Very high	129 Å²	129	63.4 Å²	63.4	60%	0.603	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-38.7	172.1	-61.8	178.4	-160.7	0	0	112.7	R486 G491	R486-E489 IonicContact CZ-OE2 2.94Å; R486-E489 IonicContact NE-OE2 2.68Å; R486-E489 PolarHBondContact NE-OE2 3.03Å; R486-E489 IonicContact NH2-OE2 2.71Å; R486-E489 PolarHBondContact NH2-OE2 3.31Å; R486-E489 PolarHBondContact O-N 3.41Å; E489-G491 VanDerWaalsContact C-N 3.28Å; E489-G491 PolarHBondContact O-N 3.34Å
490	L	91.6	Very high	93.1	Very high	79 Å²	79	66 Å²	66	41%	0.414	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	4.3	-178.7	-65	171.1	0	0	0	113.1	R486 E488 A492 R516 F517	R486-L490 HydrophobicContact CB-CD1 4.13Å; R486-L490 HydrophobicContact CB-CG 4.41Å; R486-L490 WeakPolarHBondContact O-CB 3.5Å; R486-L490 VanDerWaalsContact O-CG 3.28Å; R486-L490 WeakPolarHBondContact O-CG 3.32Å; R486-L490 PolarHBondContact O-N 3.48Å; E488-L490 PolarHBondContact O-N 3.12Å; L490-A492 PolarHBondContact O-N 3.04Å; L490-R516 WeakPolarHBondContact CD1-O 3.4Å; L490-F517 HydrophobicContact CD1-CD1 4.08Å
491	G	89.9	Confident	93	Very high	67 Å²	67	70.8 Å²	70.8	69%	0.691	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	20	-178.9	0	0	0	0	0	114.3	R487 E488 E489 R493	R487-G491 PolarHBondContact O-N 2.87Å; E488-G491 PolarHBondContact O-N 3.07Å; E489-G491 VanDerWaalsContact C-N 3.28Å; E489-G491 PolarHBondContact O-N 3.34Å; G491-R493 PolarHBondContact O-N 3.4Å
492	A	91.1	Very high	92.9	Very high	21 Å²	21	70.8 Å²	70.8	17%	0.174	37%	0.374	C	S	.	.			trans	-77.4	110.1	-172.4	0	0	0	0	0	111.4	R487 L490 K494 F517	R487-A492 HydrophobicContact CG-CB 3.97Å; R487-A492 WeakPolarHBondContact CG-O 3.47Å; R487-A492 PolarHBondContact NH1-O 3.38Å; R487-A492 WeakPolarHBondContact O-CB 3.49Å; R487-A492 PolarHBondContact O-N 2.99Å; L490-A492 PolarHBondContact O-N 3.04Å; A492-K494 PolarHBondContact O-N 3.29Å; A492-F517 HydrophobicContact CB-CD1 4.1Å; A492-F517 HydrophobicContact CB-CE1 3.49Å; A492-F517 VanDerWaalsContact CB-CE1 3.49Å; A492-F517 HydrophobicContact CB-CZ 4.03Å
493	R	91.5	Very high	92.8	Very high	162 Å²	162	74 Å²	74	61%	0.611	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-60.4	126.3	170.9	174.6	177.2	160.5	-176.7	-10	109.5	G491 D499	G491-R493 PolarHBondContact O-N 3.4Å; R493-D499 IonicContact CZ-OD2 3.98Å; R493-D499 IonicContact NE-OD2 2.63Å; R493-D499 IonicContact NH2-OD1 3.03Å; R493-D499 PolarHBondContact NH2-OD1 3.28Å; R493-D499 IonicContact NH2-OD2 3.81Å; R493-D499 PolarHBondContact NH2-OD2 2.88Å
494	K	93.1	Very high	92.8	Very high	39 Å²	39	73.4 Å²	73.4	17%	0.17	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-78.5	133.8	169.8	-170.6	162.6	-175.1	161.4	0	109.7	C419 D420 N480 E484 A492 Q496 Y507	C419-K494 VanDerWaalsContact O-CE 3.3Å; C419-K494 WeakPolarHBondContact O-CE 3.33Å; C419-K494 PolarHBondContact O-NZ 3.15Å; D420-K494 WeakPolarHBondContact O-CE 3.35Å; D420-K494 VanDerWaalsContact O-CG 3.31Å; D420-K494 WeakPolarHBondContact O-CG 3.26Å; N480-K494 PolarHBondContact ND2-NZ 2.99Å; E484-K494 VanDerWaalsContact OE1-CE 3.3Å; E484-K494 WeakPolarHBondContact OE1-CE 3.45Å; E484-K494 IonicContact OE1-NZ 3.64Å; E484-K494 PolarHBondContact OE1-NZ 3.05Å; E484-K494 IonicContact OE2-NZ 2.68Å; E484-K494 PolarHBondContact OE2-NZ 3.19Å; A492-K494 PolarHBondContact O-N 3.29Å; K494-Q496 PolarHBondContact O-NE2 3.34Å; K494-Y507 HydrophobicContact CG-CE1 4.35Å
495	P	94.8	Very high	92.8	Very high	8 Å²	8	74.6 Å²	74.6	5%	0.052	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-58.3	151.6	177.8	-22.7	32.2	0	0	0	112.3	C421 D499 V504 Y507	C421-P495 CarbonylContact C-O 3.59Å; C421-P495 WeakPolarHBondContact CA-O 3.24Å; C421-P495 HydrophobicContact CB-CB 4.35Å; P495-D499 WeakPolarHBondContact CA-OD2 3.37Å; P495-V504 HydrophobicContact CB-CG2 4.04Å; P495-Y507 VanDerWaalsContact CD-CD1 3.5Å; P495-Y507 VanDerWaalsContact CD-CG 3.42Å; P495-Y507 HydrophobicContact CG-CD1 3.81Å; P495-Y507 HydrophobicContact CG-CD2 4.21Å; P495-Y507 HydrophobicContact CG-CG 3.61Å
496	Q	92.9	Very high	92.9	Very high	99 Å²	99	75.2 Å²	75.2	46%	0.463	40%	0.397	S	S	.	.			trans	-112.4	162.5	178.5	-61.5	-56.8	-52.1	0	0	111.2	K494 G498 D499	K494-Q496 PolarHBondContact O-NE2 3.34Å; Q496-G498 PolarHBondContact O-N 2.73Å; Q496-G498 VanDerWaalsContact O-N 3.13Å; Q496-D499 PolarHBondContact N-OD2 2.93Å; Q496-D499 PolarHBondContact O-N 2.83Å; Q496-D499 VanDerWaalsContact O-N 3.12Å
497	P	90.7	Very high	93	Very high	68 Å²	68	71.8 Å²	71.8	44%	0.442	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	115.3	175.4	-19.7	34.2	0	0	0	110.4	C421 Q423	C421-P497 WeakPolarHBondContact O-CD 3.36Å; Q423-P497 HydrophobicContact CB-CB 4.15Å; Q423-P497 HydrophobicContact CB-CG 4.05Å; Q423-P497 HydrophobicContact CG-CB 4.4Å
498	G	86.2	Confident	93.2	Very high	70 Å²	70	69.3 Å²	69.3	72%	0.722	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.4	-7.3	-176.8	0	0	0	0	0	115.3	Q496	Q496-G498 PolarHBondContact O-N 2.73Å; Q496-G498 VanDerWaalsContact O-N 3.13Å
499	D	92.9	Very high	93.5	Very high	27 Å²	27	65.9 Å²	65.9	14%	0.144	36%	0.358	C	S	.	.			trans	-62.3	147.5	172.6	-77.7	-19.4	0	0	0	111.1	Q440 R493 P495 Q496 R501 V504	Q440-D499 PolarHBondContact NE2-O 2.99Å; R493-D499 IonicContact CZ-OD2 3.98Å; R493-D499 IonicContact NE-OD2 2.63Å; R493-D499 IonicContact NH2-OD1 3.03Å; R493-D499 PolarHBondContact NH2-OD1 3.28Å; R493-D499 IonicContact NH2-OD2 3.81Å; R493-D499 PolarHBondContact NH2-OD2 2.88Å; P495-D499 WeakPolarHBondContact CA-OD2 3.37Å; Q496-D499 PolarHBondContact N-OD2 2.93Å; Q496-D499 PolarHBondContact O-N 2.83Å; Q496-D499 VanDerWaalsContact O-N 3.12Å; D499-R501 PolarHBondContact O-N 3.39Å; D499-V504 HydrophobicContact CB-CG2 4.19Å
500	P	94.1	Very high	93.7	Very high	58 Å²	58	60.1 Å²	60.1	38%	0.377	33%	0.332	S	S	.	.			trans	-56.3	136.9	-176.3	-26.9	36	0	0	0	113.2	H502 E503 V504	P500-H502 PolarHBondContact O-N 3.3Å; P500-E503 HydrophobicContact CB-CG 4.31Å; P500-E503 WeakPolarHBondContact CG-OE1 3.27Å; P500-E503 WeakPolarHBondContact O-CB 3.47Å; P500-E503 PolarHBondContact O-N 2.95Å; P500-V504 PolarHBondContact O-N 3.33Å
501	R	93.7	Very high	94	Very high	131 Å²	131	56.4 Å²	56.4	49%	0.494	31%	0.313	S	S	.	.	H	α-helix	trans	-50.9	-37.3	-175.5	-179.8	178.5	172.6	154	2.4	114	I444 D499 V504 E505	I444-R501 HydrophobicContact CD1-CG 4.22Å; I444-R501 HydrophobicContact CG1-CG 4.36Å; D499-R501 PolarHBondContact O-N 3.39Å; R501-V504 PolarHBondContact O-N 3.44Å; R501-E505 VanDerWaalsContact O-CB 3.27Å; R501-E505 WeakPolarHBondContact O-CB 3.47Å; R501-E505 PolarHBondContact O-N 3.04Å
502	H	93.9	Very high	94.3	Very high	131 Å²	131	53.6 Å²	53.6	61%	0.606	28%	0.281	S	S	*	.	H	α-helix	trans	-69.9	-31.9	-179.2	70.8	-88.6	0	0	0	113	P500 A506	P500-H502 PolarHBondContact O-N 3.3Å; H502-A506 WeakPolarHBondContact O-CB 3.39Å; H502-A506 PolarHBondContact O-N 3.04Å
503	E	94.4	Very high	94.5	Very high	90 Å²	90	54.9 Å²	54.9	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-71.4	-44.5	173.8	-62.5	-179.1	-151.2	0	0	110.9	P500 E505 A506 Y507	P500-E503 HydrophobicContact CB-CG 4.31Å; P500-E503 WeakPolarHBondContact CG-OE1 3.27Å; P500-E503 WeakPolarHBondContact O-CB 3.47Å; P500-E503 PolarHBondContact O-N 2.95Å; E503-E505 VanDerWaalsContact C-N 3.27Å; E503-E505 PolarHBondContact O-N 2.89Å; E503-A506 PolarHBondContact O-N 3.34Å; E503-Y507 PolarHBondContact O-N 3.04Å
504	V	96.1	Very high	94.7	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-41.1	174	-173.8	0	0	0	0	110.5	I444 P495 D499 P500 R501 Y507 I508	I444-V504 HydrophobicContact CD1-CB 3.89Å; I444-V504 HydrophobicContact CD1-CG1 3.66Å; P495-V504 HydrophobicContact CB-CG2 4.04Å; D499-V504 HydrophobicContact CB-CG2 4.19Å; P500-V504 PolarHBondContact O-N 3.33Å; R501-V504 PolarHBondContact O-N 3.44Å; V504-Y507 PolarHBondContact O-N 3.33Å; V504-I508 HydrophobicContact CG1-CD1 3.87Å; V504-I508 WeakPolarHBondContact O-CB 3.29Å; V504-I508 WeakPolarHBondContact O-CG1 3.47Å; V504-I508 PolarHBondContact O-N 3.25Å
505	E	96.5	Very high	94.8	Very high	46 Å²	46	54.6 Å²	54.6	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-66.5	-41.9	177.3	178.4	170.7	162.8	0	0	112.8	I444 R501 E503 Y507 I508 K509	I444-E505 HydrophobicContact CD1-CB 4.07Å; I444-E505 HydrophobicContact CG1-CB 4.21Å; I444-E505 HydrophobicContact CG2-CB 4.02Å; I444-E505 HydrophobicContact CG2-CG 3.95Å; R501-E505 VanDerWaalsContact O-CB 3.27Å; R501-E505 WeakPolarHBondContact O-CB 3.47Å; R501-E505 PolarHBondContact O-N 3.04Å; E503-E505 VanDerWaalsContact C-N 3.27Å; E503-E505 PolarHBondContact O-N 2.89Å; E505-Y507 VanDerWaalsContact C-N 3.34Å; E505-Y507 PolarHBondContact O-N 3.31Å; E505-I508 PolarHBondContact O-N 2.99Å; E505-K509 HydrophobicContact CG-CD 4.28Å; E505-K509 WeakPolarHBondContact O-CG 3.34Å; E505-K509 PolarHBondContact O-N 3.2Å; E505-K509 VanDerWaalsContact OE1-CE 3.26Å; E505-K509 WeakPolarHBondContact OE1-CE 3.47Å; E505-K509 IonicContact OE1-NZ 2.64Å; E505-K509 PolarHBondContact OE1-NZ 3Å
506	A	96.4	Very high	94.8	Very high	59 Å²	59	62.3 Å²	62.3	49%	0.488	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-41.7	174.4	0	0	0	0	0	111.8	H502 E503 A510	H502-A506 WeakPolarHBondContact O-CB 3.39Å; H502-A506 PolarHBondContact O-N 3.04Å; E503-A506 PolarHBondContact O-N 3.34Å; A506-A510 WeakPolarHBondContact O-CB 3.17Å; A506-A510 PolarHBondContact O-N 2.93Å
507	Y	97.1	Very high	95	Very high	17 Å²	17	58 Å²	58	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-44.7	175.7	-177.1	-91	0	0	0	112.4	E484 R487 K494 P495 E503 V504 E505 K509 A510 K511 F517	E484-Y507 PolarHBondContact OE1-OH 3.17Å; R487-Y507 VanDerWaalsContact CD-OH 3.28Å; R487-Y507 WeakPolarHBondContact CD-OH 3.45Å; K494-Y507 HydrophobicContact CG-CE1 4.35Å; P495-Y507 VanDerWaalsContact CD-CD1 3.5Å; P495-Y507 VanDerWaalsContact CD-CG 3.42Å; P495-Y507 HydrophobicContact CG-CD1 3.81Å; P495-Y507 HydrophobicContact CG-CD2 4.21Å; P495-Y507 HydrophobicContact CG-CG 3.61Å; E503-Y507 PolarHBondContact O-N 3.04Å; V504-Y507 PolarHBondContact O-N 3.33Å; E505-Y507 VanDerWaalsContact C-N 3.34Å; E505-Y507 PolarHBondContact O-N 3.31Å; Y507-K509 PolarHBondContact O-N 3.36Å; Y507-A510 PolarHBondContact O-N 3.35Å; Y507-K511 HydrophobicContact CE1-CD 3.99Å; Y507-K511 VanDerWaalsContact O-CB 3.29Å; Y507-K511 WeakPolarHBondContact O-CB 3.31Å; Y507-K511 PolarHBondContact O-N 2.99Å; Y507-F517 HydrophobicContact CD2-CE2 4.01Å; Y507-F517 AromaticContact CD2-CZ 3.99Å; Y507-F517 HydrophobicContact CD2-CZ 3.99Å; Y507-F517 AromaticContact CE2-CE2 3.63Å; Y507-F517 HydrophobicContact CE2-CE2 3.63Å; Y507-F517 AromaticContact CE2-CZ 3.82Å; Y507-F517 HydrophobicContact CE2-CZ 3.82Å; Y507-F517 AromaticContact CZ-CE2 3.93Å
508	I	97.6	Very high	95.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-39.1	179.3	-73.5	172.6	0	0	0	111.3	D420 C441 I444 L448 V504 E505 K511 Y512	D420-I508 HydrophobicContact CB-CD1 3.99Å; D420-I508 HydrophobicContact CB-CG1 3.83Å; C441-I508 HydrophobicContact CB-CD1 3.99Å; I444-I508 HydrophobicContact CB-CD1 4.13Å; I444-I508 HydrophobicContact CD1-CD1 4.06Å; I444-I508 HydrophobicContact CG2-CB 4.05Å; I444-I508 HydrophobicContact CG2-CD1 3.91Å; I444-I508 HydrophobicContact CG2-CG2 3.83Å; L448-I508 HydrophobicContact CD1-CG2 4.02Å; V504-I508 HydrophobicContact CG1-CD1 3.87Å; V504-I508 WeakPolarHBondContact O-CB 3.29Å; V504-I508 WeakPolarHBondContact O-CG1 3.47Å; V504-I508 PolarHBondContact O-N 3.25Å; E505-I508 PolarHBondContact O-N 2.99Å; I508-K511 PolarHBondContact O-N 3.17Å; I508-Y512 HydrophobicContact CG2-CD2 4.1Å; I508-Y512 PolarHBondContact O-N 3.45Å
509	K	97.3	Very high	95.6	Very high	80 Å²	80	56.4 Å²	56.4	35%	0.348	27%	0.266	S	S	.	.	I	π-helix	trans	-63.5	-49.3	171.8	-73.6	176	-173.9	171.3	0	111.4	L448 E505 Y507 K511 Y512 V513 D514	L448-K509 HydrophobicContact CD2-CG 3.7Å; E505-K509 HydrophobicContact CG-CD 4.28Å; E505-K509 WeakPolarHBondContact O-CG 3.34Å; E505-K509 PolarHBondContact O-N 3.2Å; E505-K509 VanDerWaalsContact OE1-CE 3.26Å; E505-K509 WeakPolarHBondContact OE1-CE 3.47Å; E505-K509 IonicContact OE1-NZ 2.64Å; E505-K509 PolarHBondContact OE1-NZ 3Å; Y507-K509 PolarHBondContact O-N 3.36Å; K509-K511 PolarHBondContact O-N 3.39Å; K509-Y512 PolarHBondContact O-N 3.07Å; K509-V513 HydrophobicContact CG-CG2 4.48Å; K509-V513 WeakPolarHBondContact O-CA 3.47Å; K509-V513 VanDerWaalsContact O-CB 3.32Å; K509-V513 WeakPolarHBondContact O-CB 3.33Å; K509-V513 PolarHBondContact O-N 3.37Å; K509-D514 PolarHBondContact O-N 2.95Å
510	A	96.6	Very high	95.4	Very high	9 Å²	9	65.9 Å²	65.9	7%	0.074	30%	0.3	C	S	.	.	I	π-helix	trans	-57.1	-35.5	176.5	0	0	0	0	0	112.6	A506 Y507 D514 R515 R516 F517	A506-A510 WeakPolarHBondContact O-CB 3.17Å; A506-A510 PolarHBondContact O-N 2.93Å; Y507-A510 PolarHBondContact O-N 3.35Å; A510-D514 WeakPolarHBondContact CA-OD2 3.34Å; A510-R515 PolarHBondContact O-N 3.02Å; A510-R516 HydrophobicContact CB-CB 4.36Å; A510-R516 VanDerWaalsContact O-CB 3.25Å; A510-R516 WeakPolarHBondContact O-CB 3.32Å; A510-R516 PolarHBondContact O-N 2.72Å; A510-F517 HydrophobicContact CB-CE2 4.18Å; A510-F517 HydrophobicContact CB-CZ 3.93Å
511	K	96.6	Very high	95.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	29%	0.292	C	S	.	.	I	π-helix	trans	-72.5	-55.5	179.4	-175.1	172.4	175.8	-178.3	0	113	D420 N480 Y483 E484 Y507 I508 K509 R515 F517	D420-K511 WeakPolarHBondContact OD1-CD 3.36Å; D420-K511 IonicContact OD1-NZ 2.82Å; D420-K511 PolarHBondContact OD1-NZ 2.92Å; N480-K511 WeakPolarHBondContact OD1-CE 3.31Å; N480-K511 PolarHBondContact OD1-NZ 2.93Å; Y483-K511 WeakPolarHBondContact CD1-O 3.42Å; E484-K511 HydrophobicContact CG-CD 4.1Å; E484-K511 WeakPolarHBondContact OE1-CE 3.34Å; E484-K511 IonicContact OE1-NZ 3.95Å; E484-K511 PolarHBondContact OE1-NZ 3.42Å; Y507-K511 HydrophobicContact CE1-CD 3.99Å; Y507-K511 VanDerWaalsContact O-CB 3.29Å; Y507-K511 WeakPolarHBondContact O-CB 3.31Å; Y507-K511 PolarHBondContact O-N 2.99Å; I508-K511 PolarHBondContact O-N 3.17Å; K509-K511 PolarHBondContact O-N 3.39Å; K511-R515 WeakPolarHBondContact O-CA 3.49Å; K511-F517 HydrophobicContact CB-CD2 4.17Å; K511-F517 HydrophobicContact CB-CE2 4.08Å; K511-F517 HydrophobicContact CG-CD2 4.45Å
512	Y	96.5	Very high	94.9	Very high	8 Å²	8	61.1 Å²	61.1	3%	0.031	29%	0.287	C	S	.	.	I	π-helix	trans	-102.7	-31.5	-169.6	-61.4	-72.1	0	0	0	115	D420 L433 I435 H445 I479 Y483 I508 K509	D420-Y512 WeakPolarHBondContact OD1-CE2 3.35Å; D420-Y512 PolarHBondContact OD1-OH 3.33Å; L433-Y512 HydrophobicContact CD1-CD1 3.99Å; L433-Y512 HydrophobicContact CD1-CE1 3.97Å; L433-Y512 HydrophobicContact CD1-CG 4.43Å; I435-Y512 HydrophobicContact CD1-CE1 4.4Å; I435-Y512 HydrophobicContact CD1-CE2 4.4Å; I435-Y512 VanDerWaalsContact CD1-OH 3.23Å; I435-Y512 WeakPolarHBondContact CD1-OH 3.18Å; H445-Y512 AromaticContact CE1-CD2 3.62Å; H445-Y512 AromaticContact CE1-CE2 3.4Å; H445-Y512 WeakPolarHBondContact CE1-CE2 3.41Å; H445-Y512 AromaticContact NE2-CD2 3.88Å; H445-Y512 AromaticContact NE2-CE2 3.5Å; I479-Y512 HydrophobicContact CG2-CE1 4.26Å; Y483-Y512 AromaticContact CD1-CD1 3.74Å; Y483-Y512 HydrophobicContact CD1-CD1 3.74Å; Y483-Y512 HydrophobicContact CD1-CE1 4.14Å; Y483-Y512 HydrophobicContact CD2-CE1 4.39Å; Y483-Y512 AromaticContact CE1-CD1 3.9Å; Y483-Y512 HydrophobicContact CE1-CD1 3.9Å; Y483-Y512 HydrophobicContact CG-CD1 4.11Å; Y483-Y512 HydrophobicContact CG-CE1 4.03Å; I508-Y512 HydrophobicContact CG2-CD2 4.1Å; I508-Y512 PolarHBondContact O-N 3.45Å; K509-Y512 PolarHBondContact O-N 3.07Å
513	V	95.6	Very high	94.6	Very high	48 Å²	48	61.4 Å²	61.4	29%	0.291	29%	0.293	S	S	.	.	I	π-helix	trans	-85.7	-57.6	-179.6	179.9	0	0	0	0	109.8	L448 F452 K509 R515	L448-V513 HydrophobicContact CD1-CG2 4.31Å; L448-V513 HydrophobicContact CD2-CG2 4.08Å; F452-V513 HydrophobicContact CD1-CG2 4.06Å; F452-V513 HydrophobicContact CD2-CG2 4.08Å; F452-V513 HydrophobicContact CE1-CB 4.24Å; F452-V513 HydrophobicContact CE1-CG1 4.12Å; F452-V513 HydrophobicContact CE1-CG2 4.03Å; F452-V513 HydrophobicContact CE2-CG1 4.24Å; F452-V513 HydrophobicContact CE2-CG2 4.04Å; F452-V513 HydrophobicContact CG-CG2 4.11Å; F452-V513 HydrophobicContact CZ-CB 4.27Å; F452-V513 HydrophobicContact CZ-CG1 3.74Å; F452-V513 HydrophobicContact CZ-CG2 4.03Å; K509-V513 HydrophobicContact CG-CG2 4.48Å; K509-V513 WeakPolarHBondContact O-CA 3.47Å; K509-V513 VanDerWaalsContact O-CB 3.32Å; K509-V513 WeakPolarHBondContact O-CB 3.33Å; K509-V513 PolarHBondContact O-N 3.37Å; V513-R515 VanDerWaalsContact C-N 3.32Å
514	D	95.1	Very high	94.3	Very high	109 Å²	109	63.6 Å²	63.6	58%	0.583	30%	0.303	S	S	*	.	S	Bend	trans	-81.2	-16.2	-178.4	-49.2	-36.8	0	0	0	112.4	K509 A510 R516	K509-D514 PolarHBondContact O-N 2.95Å; A510-D514 WeakPolarHBondContact CA-OD2 3.34Å; D514-R516 HydrophobicContact CB-CB 4.43Å; D514-R516 PolarHBondContact O-N 3.09Å; D514-R516 VanDerWaalsContact O-N 3.1Å
515	R	95.6	Very high	94	Very high	86 Å²	86	67.5 Å²	67.5	33%	0.325	32%	0.321	S	S	.	.			trans	53.3	31	-179.1	-53.8	-172.6	-172.3	177.8	-4.7	113.5	Y483 A510 K511 V513 F517 V518 L684 A685	Y483-R515 HydrophobicContact CE1-CG 4.47Å; A510-R515 PolarHBondContact O-N 3.02Å; K511-R515 WeakPolarHBondContact O-CA 3.49Å; V513-R515 VanDerWaalsContact C-N 3.32Å; R515-F517 VanDerWaalsContact C-N 3.25Å; R515-F517 PolarHBondContact O-N 3.44Å; R515-F517 VanDerWaalsContact O-N 3.14Å; R515-V518 HydrophobicContact CB-CB 4.46Å; R515-V518 HydrophobicContact CB-CG2 3.92Å; R515-V518 WeakPolarHBondContact O-CB 3.5Å; R515-V518 PolarHBondContact O-N 3.49Å; R515-L684 VanDerWaalsContact CZ-O 3.28Å; R515-L684 PolarHBondContact NH1-O 2.95Å; R515-L684 PolarHBondContact NH2-O 3.26Å; R515-A685 WeakPolarHBondContact CD-O 3.49Å; R515-A685 PolarHBondContact NH1-O 3.43Å
516	R	95.6	Very high	93.7	Very high	171 Å²	171	65.9 Å²	65.9	65%	0.645	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.3	-165.8	-173.9	175.2	177.2	179	-1.6	114	L490 A510 D514	L490-R516 WeakPolarHBondContact CD1-O 3.4Å; A510-R516 HydrophobicContact CB-CB 4.36Å; A510-R516 VanDerWaalsContact O-CB 3.25Å; A510-R516 WeakPolarHBondContact O-CB 3.32Å; A510-R516 PolarHBondContact O-N 2.72Å; D514-R516 HydrophobicContact CB-CB 4.43Å; D514-R516 PolarHBondContact O-N 3.09Å; D514-R516 VanDerWaalsContact O-N 3.1Å
517	F	96.6	Very high	93.4	Very high	7 Å²	7	67.6 Å²	67.6	3%	0.031	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	0.9	-178.2	-37.1	-58.5	0	0	0	113.4	Y483 A485 R486 R487 L490 A492 Y507 A510 K511 R515	Y483-F517 WeakPolarHBondContact O-CB 3.5Å; A485-F517 PolarHBondContact N-O 2.99Å; R486-F517 WeakPolarHBondContact CB-O 3.32Å; R486-F517 PolarHBondContact N-O 3.42Å; R487-F517 HydrophobicContact CB-CB 4.4Å; R487-F517 HydrophobicContact CB-CG 4.47Å; L490-F517 HydrophobicContact CD1-CD1 4.08Å; A492-F517 HydrophobicContact CB-CD1 4.1Å; A492-F517 HydrophobicContact CB-CE1 3.49Å; A492-F517 VanDerWaalsContact CB-CE1 3.49Å; A492-F517 HydrophobicContact CB-CZ 4.03Å; Y507-F517 HydrophobicContact CD2-CE2 4.01Å; Y507-F517 AromaticContact CD2-CZ 3.99Å; Y507-F517 HydrophobicContact CD2-CZ 3.99Å; Y507-F517 AromaticContact CE2-CE2 3.63Å; Y507-F517 HydrophobicContact CE2-CE2 3.63Å; Y507-F517 AromaticContact CE2-CZ 3.82Å; Y507-F517 HydrophobicContact CE2-CZ 3.82Å; Y507-F517 AromaticContact CZ-CE2 3.93Å; A510-F517 HydrophobicContact CB-CE2 4.18Å; A510-F517 HydrophobicContact CB-CZ 3.93Å; K511-F517 HydrophobicContact CB-CD2 4.17Å; K511-F517 HydrophobicContact CB-CE2 4.08Å; K511-F517 HydrophobicContact CG-CD2 4.45Å; R515-F517 VanDerWaalsContact C-N 3.25Å; R515-F517 PolarHBondContact O-N 3.44Å; R515-F517 VanDerWaalsContact O-N 3.14Å
518	V	96	Very high	93	Very high	15 Å²	15	71.3 Å²	71.3	9%	0.091	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-70	136.1	176.2	177.3	0	0	0	0	109.4	Y483 R515 A685	Y483-V518 HydrophobicContact CD1-CG2 3.94Å; Y483-V518 HydrophobicContact CE1-CG2 4.4Å; Y483-V518 HydrophobicContact CG-CG2 4.39Å; R515-V518 HydrophobicContact CB-CB 4.46Å; R515-V518 HydrophobicContact CB-CG2 3.92Å; R515-V518 WeakPolarHBondContact O-CB 3.5Å; R515-V518 PolarHBondContact O-N 3.49Å; V518-A685 HydrophobicContact CG1-CB 4.15Å; V518-A685 HydrophobicContact CG2-CB 4.19Å
519	R	93.3	Very high	92.7	Very high	91 Å²	91	74.6 Å²	74.6	34%	0.343	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-78.9	126.9	173.8	-168.7	-169.9	73.2	93.5	6.4	109.1	A485 R486 E525 H686	A485-R519 HydrophobicContact CB-CB 3.87Å; R486-R519 HydrophobicContact CG-CB 3.88Å; R486-R519 HydrophobicContact CG-CG 4.21Å; R519-E525 IonicContact CZ-OE1 2.78Å; R519-E525 IonicContact CZ-OE2 2.63Å; R519-E525 VanDerWaalsContact NH1-CD 3.32Å; R519-E525 IonicContact NH1-OE1 3.96Å; R519-E525 PolarHBondContact NH1-OE1 3.05Å; R519-E525 IonicContact NH1-OE2 2.95Å; R519-E525 PolarHBondContact NH1-OE2 3.34Å; R519-E525 IonicContact NH2-OE1 2.69Å; R519-E525 IonicContact NH2-OE2 2.65Å; R519-E525 PolarHBondContact NH2-OE2 3.35Å; R519-H686 PolarHBondContact O-NE2 2.97Å; R519-H686 VanDerWaalsContact O-NE2 3.12Å
520	R	88.1	Confident	92.4	Very high	225 Å²	225	70.8 Å²	70.8	85%	0.849	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-80	125.3	169.4	-67	-175.1	-179.6	177.3	-1	108.5
521	P	88	Confident	92	Very high	34 Å²	34	71.8 Å²	71.8	22%	0.221	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-71.9	162.4	174.1	32.6	-35.4	0	0	0	110.3	E525	P521-E525 WeakPolarHBondContact CA-OE2 3.33Å; P521-E525 HydrophobicContact CB-CB 4.14Å; P521-E525 WeakPolarHBondContact CB-OE2 3.49Å
522	S	89.9	Confident	91.7	Very high	55 Å²	55	75.5 Å²	75.5	39%	0.385	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-79.2	160.1	165.6	72	0	0	0	0	111.1	E524 E525 L526	S522-E524 PolarHBondContact O-N 3.28Å; S522-E525 PolarHBondContact N-OE2 2.96Å; S522-E525 PolarHBondContact O-N 3.01Å; S522-E525 VanDerWaalsContact O-N 3.13Å; S522-E525 WeakPolarHBondContact OG-CG 3.31Å; S522-E525 PolarHBondContact OG-N 3.04Å; S522-E525 VanDerWaalsContact OG-N 3.11Å; S522-L526 PolarHBondContact O-N 2.65Å
523	D	87.6	Confident	91.4	Very high	137 Å²	137	75.6 Å²	75.6	73%	0.733	36%	0.359	S	S	*	.	H	α-helix	trans	-59.5	-30.3	176.1	-57.4	-19.7	0	0	0	112	R527	D523-R527 VanDerWaalsContact O-CB 3.23Å; D523-R527 WeakPolarHBondContact O-CB 3.23Å; D523-R527 PolarHBondContact O-N 3.26Å
524	E	89.1	Confident	91	Very high	137 Å²	137	73.4 Å²	73.4	64%	0.64	35%	0.346	S	S	*	.	H	α-helix	trans	-72.7	-42.6	175	-174.6	177.6	-176.5	0	0	112.3	S522 L526 R527 N528	S522-E524 PolarHBondContact O-N 3.28Å; E524-L526 VanDerWaalsContact C-N 3.35Å; E524-R527 PolarHBondContact O-N 3.44Å; E524-N528 WeakPolarHBondContact O-CB 3.47Å; E524-N528 VanDerWaalsContact O-CG 3.26Å; E524-N528 PolarHBondContact O-N 2.86Å; E524-N528 PolarHBondContact O-ND2 3Å; E524-N528 VanDerWaalsContact O-ND2 3.11Å
525	E	89.6	Confident	90.5	Very high	83 Å²	83	74.4 Å²	74.4	39%	0.388	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-45.2	172.9	-74.8	175.1	173.3	0	0	111	R519 P521 S522 N528 K529	R519-E525 IonicContact CZ-OE1 2.78Å; R519-E525 IonicContact CZ-OE2 2.63Å; R519-E525 VanDerWaalsContact NH1-CD 3.32Å; R519-E525 IonicContact NH1-OE1 3.96Å; R519-E525 PolarHBondContact NH1-OE1 3.05Å; R519-E525 IonicContact NH1-OE2 2.95Å; R519-E525 PolarHBondContact NH1-OE2 3.34Å; R519-E525 IonicContact NH2-OE1 2.69Å; R519-E525 IonicContact NH2-OE2 2.65Å; R519-E525 PolarHBondContact NH2-OE2 3.35Å; P521-E525 WeakPolarHBondContact CA-OE2 3.33Å; P521-E525 HydrophobicContact CB-CB 4.14Å; P521-E525 WeakPolarHBondContact CB-OE2 3.49Å; S522-E525 PolarHBondContact N-OE2 2.96Å; S522-E525 PolarHBondContact O-N 3.01Å; S522-E525 VanDerWaalsContact O-N 3.13Å; S522-E525 WeakPolarHBondContact OG-CG 3.31Å; S522-E525 PolarHBondContact OG-N 3.04Å; S522-E525 VanDerWaalsContact OG-N 3.11Å; E525-N528 PolarHBondContact O-N 3.01Å; E525-K529 VanDerWaalsContact O-CB 3.31Å; E525-K529 WeakPolarHBondContact O-CB 3.18Å; E525-K529 PolarHBondContact O-N 3Å
526	L	89.3	Confident	89.4	Confident	12 Å²	12	73.7 Å²	73.7	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-43.6	177.8	-177.1	61.5	0	0	0	111.5	S522 E524 K529 V530 Y662 Q667	S522-L526 PolarHBondContact O-N 2.65Å; E524-L526 VanDerWaalsContact C-N 3.35Å; L526-K529 PolarHBondContact O-N 3.48Å; L526-V530 HydrophobicContact CD1-CG2 4.35Å; L526-V530 WeakPolarHBondContact O-CB 3.43Å; L526-V530 WeakPolarHBondContact O-CG2 3.31Å; L526-V530 PolarHBondContact O-N 3.28Å; L526-Y662 WeakPolarHBondContact CD2-O 3.44Å; L526-Q667 HydrophobicContact CD1-CB 4.08Å
527	R	89.6	Confident	88.1	Confident	96 Å²	96	67.5 Å²	67.5	36%	0.362	32%	0.323	S	S	.	.	H	α-helix	trans	-55.5	-53.4	172.2	173.7	179.7	-61.6	-102.3	-1.6	111.4	D523 E524 K529 V530 V531 E658 Y662	D523-R527 VanDerWaalsContact O-CB 3.23Å; D523-R527 WeakPolarHBondContact O-CB 3.23Å; D523-R527 PolarHBondContact O-N 3.26Å; E524-R527 PolarHBondContact O-N 3.44Å; R527-K529 VanDerWaalsContact C-N 3.32Å; R527-K529 PolarHBondContact O-N 3.49Å; R527-V530 PolarHBondContact O-N 2.97Å; R527-V531 HydrophobicContact CG-CG2 4.45Å; R527-V531 WeakPolarHBondContact O-CB 3.35Å; R527-V531 VanDerWaalsContact O-CG2 3.3Å; R527-V531 WeakPolarHBondContact O-CG2 3.28Å; R527-V531 PolarHBondContact O-N 2.88Å; R527-E658 IonicContact NH1-OE1 2.62Å; R527-E658 PolarHBondContact NH1-OE1 3.21Å; R527-Y662 HydrophobicContact CB-CD1 4.17Å; R527-Y662 HydrophobicContact CB-CD2 4.22Å; R527-Y662 HydrophobicContact CB-CE1 4.21Å; R527-Y662 HydrophobicContact CB-CE2 4.3Å; R527-Y662 HydrophobicContact CB-CG 4.14Å; R527-Y662 HydrophobicContact CG-CD1 4.45Å; R527-Y662 HydrophobicContact CG-CD2 4.35Å; R527-Y662 HydrophobicContact CG-CE1 4Å; R527-Y662 HydrophobicContact CG-CE2 3.92Å
528	N	89.9	Confident	86.2	Confident	95 Å²	95	73.3 Å²	73.3	51%	0.508	35%	0.349	S	S	.	.	H	α-helix	trans	-62.3	-39.4	-178.1	-73.7	-33.3	0	0	0	111.9	E524 E525 S532	E524-N528 WeakPolarHBondContact O-CB 3.47Å; E524-N528 VanDerWaalsContact O-CG 3.26Å; E524-N528 PolarHBondContact O-N 2.86Å; E524-N528 PolarHBondContact O-ND2 3Å; E524-N528 VanDerWaalsContact O-ND2 3.11Å; E525-N528 PolarHBondContact O-N 3.01Å; N528-S532 WeakPolarHBondContact O-CB 3.33Å; N528-S532 PolarHBondContact O-N 3.02Å
529	K	90.3	Very high	84.5	Confident	69 Å²	69	81.2 Å²	81.2	30%	0.3	38%	0.377	S	S	.	.	H	α-helix	trans	-62.5	-52	175.5	-170.1	74.9	167.9	-171.1	0	111.7	E525 L526 R527 V531 S532 L533 Q667 D679 E682	E525-K529 VanDerWaalsContact O-CB 3.31Å; E525-K529 WeakPolarHBondContact O-CB 3.18Å; E525-K529 PolarHBondContact O-N 3Å; L526-K529 PolarHBondContact O-N 3.48Å; R527-K529 VanDerWaalsContact C-N 3.32Å; R527-K529 PolarHBondContact O-N 3.49Å; K529-V531 PolarHBondContact O-N 2.94Å; K529-S532 WeakPolarHBondContact O-CB 3.38Å; K529-S532 PolarHBondContact O-N 3.33Å; K529-S532 VanDerWaalsContact O-N 3.16Å; K529-L533 HydrophobicContact CG-CD1 4.3Å; K529-L533 WeakPolarHBondContact O-CG 3.46Å; K529-L533 PolarHBondContact O-N 3.44Å; K529-Q667 HydrophobicContact CG-CG 4.45Å; K529-D679 WeakPolarHBondContact CE-OD1 3.36Å; K529-D679 IonicContact NZ-OD1 3.06Å; K529-D679 PolarHBondContact NZ-OD1 3.37Å; K529-D679 IonicContact NZ-OD2 2.66Å; K529-E682 IonicContact NZ-OE2 2.65Å
530	V	90.7	Very high	82.8	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-60.8	-45.4	178.7	167.8	0	0	0	0	111.6	L526 R527 S532 L533 S534 Y662 L666 Q667	L526-V530 HydrophobicContact CD1-CG2 4.35Å; L526-V530 WeakPolarHBondContact O-CB 3.43Å; L526-V530 WeakPolarHBondContact O-CG2 3.31Å; L526-V530 PolarHBondContact O-N 3.28Å; R527-V530 PolarHBondContact O-N 2.97Å; V530-S532 VanDerWaalsContact C-N 3.25Å; V530-S532 PolarHBondContact O-N 2.93Å; V530-L533 PolarHBondContact O-N 3.48Å; V530-S534 PolarHBondContact O-N 2.89Å; V530-Y662 HydrophobicContact CB-CD1 3.72Å; V530-Y662 HydrophobicContact CB-CE1 3.89Å; V530-Y662 HydrophobicContact CG1-CD1 3.77Å; V530-Y662 HydrophobicContact CG1-CE1 3.7Å; V530-Y662 HydrophobicContact CG2-CD1 4.09Å; V530-L666 HydrophobicContact CG1-CD2 3.87Å; V530-L666 HydrophobicContact CG1-CG 3.91Å; V530-Q667 HydrophobicContact CG2-CB 4.09Å
531	V	89.4	Confident	81.1	Confident	29 Å²	29	71.1 Å²	71.1	18%	0.176	35%	0.35	C	S	.	.	H	α-helix	trans	-67.1	-25.1	177.6	171.2	0	0	0	0	112.4	R527 K529 K535 Y662	R527-V531 HydrophobicContact CG-CG2 4.45Å; R527-V531 WeakPolarHBondContact O-CB 3.35Å; R527-V531 VanDerWaalsContact O-CG2 3.3Å; R527-V531 WeakPolarHBondContact O-CG2 3.28Å; R527-V531 PolarHBondContact O-N 2.88Å; K529-V531 PolarHBondContact O-N 2.94Å; V531-K535 VanDerWaalsContact O-CD 3.28Å; V531-K535 WeakPolarHBondContact O-CD 3.45Å; V531-K535 VanDerWaalsContact O-CG 3.27Å; V531-K535 WeakPolarHBondContact O-CG 3.29Å; V531-Y662 HydrophobicContact CG2-CE1 4.02Å; V531-Y662 WeakPolarHBondContact CG2-OH 3.42Å
532	S	91	Very high	78.8	Confident	79 Å²	79	73.7 Å²	73.7	55%	0.552	37%	0.369	S	S	*	.	H	α-helix	trans	-72.3	-46.2	171.3	-168.3	0	0	0	0	111.4	N528 K529 V530 K535	N528-S532 WeakPolarHBondContact O-CB 3.33Å; N528-S532 PolarHBondContact O-N 3.02Å; K529-S532 WeakPolarHBondContact O-CB 3.38Å; K529-S532 PolarHBondContact O-N 3.33Å; K529-S532 VanDerWaalsContact O-N 3.16Å; V530-S532 VanDerWaalsContact C-N 3.25Å; V530-S532 PolarHBondContact O-N 2.93Å; S532-K535 PolarHBondContact O-N 3.29Å
533	L	89.5	Confident	76.3	Confident	9 Å²	9	75.4 Å²	75.4	5%	0.047	38%	0.382	C	S	.	.	H	α-helix	trans	-67	-42.4	-179.3	-65.7	165.1	0	0	0	111.7	K529 V530 K535 E536 Q667 W670 A671 S674	K529-L533 HydrophobicContact CG-CD1 4.3Å; K529-L533 WeakPolarHBondContact O-CG 3.46Å; K529-L533 PolarHBondContact O-N 3.44Å; V530-L533 PolarHBondContact O-N 3.48Å; L533-K535 VanDerWaalsContact C-N 3.26Å; L533-K535 PolarHBondContact O-N 2.99Å; L533-E536 VanDerWaalsContact O-CB 3.27Å; L533-E536 WeakPolarHBondContact O-CB 3.31Å; L533-E536 PolarHBondContact O-N 3.2Å; L533-E536 VanDerWaalsContact O-N 3.07Å; L533-Q667 HydrophobicContact CD1-CG 4.29Å; L533-W670 HydrophobicContact CB-CB 3.64Å; L533-W670 HydrophobicContact CD1-CB 4.49Å; L533-A671 HydrophobicContact CD1-CB 4.1Å; L533-S674 PolarHBondContact O-OG 3.46Å
534	S	87.1	Confident	73.8	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-66.5	-23.6	179.1	72.3	0	0	0	0	114	V530 E536 E537 F656	V530-S534 PolarHBondContact O-N 2.89Å; S534-E536 PolarHBondContact O-N 3.11Å; S534-E537 VanDerWaalsContact O-CB 3.31Å; S534-E537 WeakPolarHBondContact O-CB 3.47Å; S534-E537 PolarHBondContact O-N 2.87Å; S534-F656 VanDerWaalsContact OG-CE2 3.24Å; S534-F656 WeakPolarHBondContact OG-CE2 3.41Å; S534-F656 WeakPolarHBondContact OG-CZ 3.45Å
535	K	83.6	Confident	70.8	Confident	130 Å²	130	72.9 Å²	72.9	57%	0.565	38%	0.378	S	S	*	.	H	α-helix	trans	-70.7	-19.3	174	-75.4	169	-173.2	169.5	0	113.2	V531 S532 L533 E537 K538	V531-K535 VanDerWaalsContact O-CD 3.28Å; V531-K535 WeakPolarHBondContact O-CD 3.45Å; V531-K535 VanDerWaalsContact O-CG 3.27Å; V531-K535 WeakPolarHBondContact O-CG 3.29Å; S532-K535 PolarHBondContact O-N 3.29Å; L533-K535 VanDerWaalsContact C-N 3.26Å; L533-K535 PolarHBondContact O-N 2.99Å; K535-E537 VanDerWaalsContact C-N 3.32Å; K535-K538 PolarHBondContact O-N 3.46Å
536	E	72.3	Confident	68.1	Low	71 Å²	71	75.8 Å²	75.8	33%	0.332	39%	0.391	S	S	.	.	H	α-helix	trans	-73	-27.6	177.7	-159.5	135.5	-122.6	0	0	111.7	L533 S534 K538 R539 L540 S674	L533-E536 VanDerWaalsContact O-CB 3.27Å; L533-E536 WeakPolarHBondContact O-CB 3.31Å; L533-E536 PolarHBondContact O-N 3.2Å; L533-E536 VanDerWaalsContact O-N 3.07Å; S534-E536 PolarHBondContact O-N 3.11Å; E536-K538 PolarHBondContact O-N 2.96Å; E536-R539 WeakPolarHBondContact O-CB 3.33Å; E536-R539 PolarHBondContact O-N 3.34Å; E536-R539 VanDerWaalsContact O-N 3.12Å; E536-L540 HydrophobicContact CG-CD1 4.03Å; E536-L540 HydrophobicContact CG-CG 4.48Å; E536-L540 PolarHBondContact O-N 3.18Å; E536-S674 WeakPolarHBondContact OE2-CB 3.38Å
537	E	68.9	Low	65.2	Low	40 Å²	40	82.7 Å²	82.7	19%	0.187	43%	0.427	C	S	.	.	H	α-helix	trans	-51.4	-53.7	168.4	-171.6	-170.8	-148.4	0	0	111.7	S534 K535 R539 L540 S541 W670 F673	S534-E537 VanDerWaalsContact O-CB 3.31Å; S534-E537 WeakPolarHBondContact O-CB 3.47Å; S534-E537 PolarHBondContact O-N 2.87Å; K535-E537 VanDerWaalsContact C-N 3.32Å; E537-R539 PolarHBondContact O-N 2.94Å; E537-L540 PolarHBondContact O-N 2.81Å; E537-L540 VanDerWaalsContact O-N 3.14Å; E537-S541 VanDerWaalsContact O-CB 3.3Å; E537-S541 WeakPolarHBondContact O-CB 3.43Å; E537-S541 PolarHBondContact O-N 3.34Å; E537-S541 PolarHBondContact O-OG 3.13Å; E537-S541 VanDerWaalsContact O-OG 3.13Å; E537-W670 HydrophobicContact CB-CZ3 3.96Å; E537-W670 HydrophobicContact CG-CZ3 4.19Å; E537-W670 WeakPolarHBondContact OE2-CH2 3.19Å; E537-F673 VanDerWaalsContact CA-CE1 3.42Å; E537-F673 HydrophobicContact CB-CD1 4.36Å; E537-F673 HydrophobicContact CB-CE1 3.98Å; E537-F673 HydrophobicContact CB-CZ 4.3Å; E537-F673 HydrophobicContact CG-CE1 4.18Å; E537-F673 HydrophobicContact CG-CE2 4.41Å; E537-F673 HydrophobicContact CG-CZ 3.99Å
538	K	57.6	Low	62.4	Low	129 Å²	129	83.3 Å²	83.3	56%	0.561	44%	0.444	S	S	*	.	H	α-helix	trans	-60.8	-24.6	-178.6	-62.8	-171.7	179.5	-174	0	113.5	K535 E536 S542	K535-K538 PolarHBondContact O-N 3.46Å; E536-K538 PolarHBondContact O-N 2.96Å; K538-S542 WeakPolarHBondContact O-CB 3.37Å; K538-S542 PolarHBondContact O-OG 3.27Å
539	R	59.1	Low	59.6	Low	181 Å²	181	83.5 Å²	83.5	68%	0.683	45%	0.45	S	S	*	.	H	α-helix	trans	-79.1	-52.5	173.9	-66.5	179.1	173.9	170.1	-2.7	110.9	E536 E537 S542	E536-R539 WeakPolarHBondContact O-CB 3.33Å; E536-R539 PolarHBondContact O-N 3.34Å; E536-R539 VanDerWaalsContact O-N 3.12Å; E537-R539 PolarHBondContact O-N 2.94Å; R539-S542 PolarHBondContact O-N 3.28Å; R539-S542 PolarHBondContact O-OG 3.39Å
540	L	57.8	Low	56.7	Low	52 Å²	52	90.1 Å²	90.1	27%	0.272	48%	0.479	S	S	.	.	H	α-helix	trans	-70.1	-35.7	-175.1	-68	170.6	0	0	0	112.8	E536 E537 S543 F673	E536-L540 HydrophobicContact CG-CD1 4.03Å; E536-L540 HydrophobicContact CG-CG 4.48Å; E536-L540 PolarHBondContact O-N 3.18Å; E537-L540 PolarHBondContact O-N 2.81Å; E537-L540 VanDerWaalsContact O-N 3.14Å; L540-S543 PolarHBondContact O-N 2.79Å; L540-S543 PolarHBondContact O-OG 3.13Å; L540-F673 HydrophobicContact CB-CE1 3.97Å; L540-F673 HydrophobicContact CB-CZ 4.16Å; L540-F673 HydrophobicContact CD1-CD1 4.39Å; L540-F673 HydrophobicContact CD1-CE1 3.76Å; L540-F673 HydrophobicContact CG-CE1 4.46Å
541	S	53.9	Low	53.8	Low	52 Å²	52	94.4 Å²	94.4	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-69	-34.6	173	-58.3	0	0	0	0	112.2	E537 S543 S544	E537-S541 VanDerWaalsContact O-CB 3.3Å; E537-S541 WeakPolarHBondContact O-CB 3.43Å; E537-S541 PolarHBondContact O-N 3.34Å; E537-S541 PolarHBondContact O-OG 3.13Å; E537-S541 VanDerWaalsContact O-OG 3.13Å; S541-S543 PolarHBondContact O-N 3.01Å; S541-S543 VanDerWaalsContact O-N 3.16Å; S541-S544 CarbonylContact O-C 3.56Å; S541-S544 PolarHBondContact O-N 3.5Å
542	S	38.3	Very low	51	Low	88 Å²	88	98.5 Å²	98.5	62%	0.615	54%	0.541	S	S	*	.	H	α-helix	trans	-65.5	-15.4	174.7	74.1	0	0	0	0	114.4	K538 R539	K538-S542 WeakPolarHBondContact O-CB 3.37Å; K538-S542 PolarHBondContact O-OG 3.27Å; R539-S542 PolarHBondContact O-N 3.28Å; R539-S542 PolarHBondContact O-OG 3.39Å
543	S	37.7	Very low	48.1	Very low	92 Å²	92	100 Å²	100	64%	0.643	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	6.8	169.1	42.9	0	0	0	0	114.2	L540 S541	L540-S543 PolarHBondContact O-N 2.79Å; L540-S543 PolarHBondContact O-OG 3.13Å; S541-S543 PolarHBondContact O-N 3.01Å; S541-S543 VanDerWaalsContact O-N 3.16Å
544	S	35.8	Very low	45.4	Very low	71 Å²	71	105.6 Å²	105.6	50%	0.497	59%	0.586	S	S	.	*			trans	-142.5	39.8	-172.7	-149.6	0	0	0	0	113.7	S541 H546	S541-S544 CarbonylContact O-C 3.56Å; S541-S544 PolarHBondContact O-N 3.5Å; S544-H546 VanDerWaalsContact C-N 3.31Å; S544-H546 PolarHBondContact O-N 2.93Å
545	D	25.9	Very low	42.7	Very low	149 Å²	149	111.7 Å²	111.7	80%	0.797	62%	0.624	S	S	*	*			trans	-71.8	83.5	169.7	-85	-33	0	0	0	111
546	H	32.7	Very low	40.2	Very low	144 Å²	144	111.3 Å²	111.3	67%	0.667	63%	0.634	S	S	*	*			trans	-125.1	107.5	176	-71.8	-14.4	0	0	0	112	S544	S544-H546 VanDerWaalsContact C-N 3.31Å; S544-H546 PolarHBondContact O-N 2.93Å
547	L	27.3	Very low	38.3	Very low	158 Å²	158	118 Å²	118	83%	0.827	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-67.5	147.9	163.3	-70.9	165.2	0	0	0	109.9
548	P	31.6	Very low	36.4	Very low	108 Å²	108	124.4 Å²	124.4	70%	0.701	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-60.6	140.4	173.2	25.9	-34	0	0	0	110.7	K550	P548-K550 PolarHBondContact O-N 3.44Å
549	P	31.9	Very low	34.9	Very low	100 Å²	100	129.6 Å²	129.6	65%	0.649	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-64.9	127.7	-177.7	25.8	-33.5	0	0	0	111	A551	P549-A551 PolarHBondContact O-N 3.1Å
550	K	27.6	Very low	33.6	Very low	208 Å²	208	127.3 Å²	127.3	90%	0.904	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-64.1	133	170.7	-100.1	179.1	174.7	174	0	110.1	P548	P548-K550 PolarHBondContact O-N 3.44Å
551	A	30.5	Very low	32.1	Very low	89 Å²	89	128.5 Å²	128.5	74%	0.736	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-59.7	142	171.9	0	0	0	0	0	111.4	P549	P549-A551 PolarHBondContact O-N 3.1Å
552	P	31	Very low	30.8	Very low	115 Å²	115	131.5 Å²	131.5	75%	0.747	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-66.9	152.2	172.2	29.1	-34.3	0	0	0	111
553	P	30.8	Very low	30.3	Very low	112 Å²	112	136.4 Å²	136.4	73%	0.727	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-66.4	147.9	-179.8	28.3	-34.9	0	0	0	111.7	T555	P553-T555 PolarHBondContact O-N 3.41Å
554	P	31.1	Very low	29.8	Very low	126 Å²	126	137.2 Å²	137.2	82%	0.818	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.7	132	-179.5	27.4	-34.3	0	0	0	111.4
555	T	31.6	Very low	29.4	Very low	131 Å²	131	140 Å²	140	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71.6	142.1	177	37.6	0	0	0	0	111.9	P553	P553-T555 PolarHBondContact O-N 3.41Å
556	P	31.5	Very low	29.4	Very low	121 Å²	121	136.6 Å²	136.6	79%	0.786	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.4	141.8	-177.5	-18.2	32	0	0	0	113.2	L558	P556-L558 PolarHBondContact O-N 2.98Å
557	K	31.6	Very low	29.2	Very low	213 Å²	213	139.1 Å²	139.1	93%	0.926	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-71	117	171.8	-66.7	-177.7	178.3	-179.9	0	110.7
558	L	28	Very low	29	Very low	173 Å²	173	137.2 Å²	137.2	91%	0.906	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-77.1	135.5	172.6	-87.5	158.4	0	0	0	112	P556	P556-L558 PolarHBondContact O-N 2.98Å
559	R	26.6	Very low	28.7	Very low	238 Å²	238	136.6 Å²	136.6	90%	0.898	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-90.2	153.7	165.2	-81	-179.4	171.3	172.4	-2.8	110.2
560	P	32.2	Very low	28.3	Very low	134 Å²	134	137.2 Å²	137.2	87%	0.87	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-90.6	151.5	-177.3	35.1	-34.9	0	0	0	114.7
561	G	26.6	Very low	28.2	Very low	76 Å²	76	131.9 Å²	131.9	78%	0.784	84%	0.837	S	S	*	*			trans	114.8	139.8	173.4	0	0	0	0	0	113.1
562	S	27.2	Very low	27.8	Very low	115 Å²	115	133.6 Å²	133.6	80%	0.804	84%	0.842	S	S	*	*			cis	-163.7	151.4	-2.9	49.2	0	0	0	0	111.1
563	H	27.6	Very low	27.4	Very low	191 Å²	191	131.6 Å²	131.6	88%	0.884	84%	0.842	S	S	*	*			trans	-1.7	126.4	171.5	-62.3	-83	0	0	0	121.7
564	A	25.6	Very low	27.2	Very low	109 Å²	109	135.8 Å²	135.8	90%	0.901	85%	0.848	S	S	*	*			trans	-160.1	154.1	131.5	0	0	0	0	0	111
565	S	28.6	Very low	26.8	Very low	129 Å²	129	137.7 Å²	137.7	90%	0.902	85%	0.846	S	S	*	*			trans	-96.6	142.2	-170.3	52	0	0	0	0	114.8
566	G	26.7	Very low	26.5	Very low	79 Å²	79	136.3 Å²	136.3	81%	0.814	85%	0.848	S	S	*	*			trans	-170.8	140.6	168	0	0	0	0	0	111.8
567	Q	27.3	Very low	26.4	Very low	196 Å²	196	140.8 Å²	140.8	92%	0.916	85%	0.85	S	S	*	*			trans	-90	160.7	-170.6	-70.8	174.1	-28.5	0	0	114.3
568	S	23.6	Very low	26.3	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	84%	0.838	S	S	*	*			trans	70.8	97.5	153.5	179.6	0	0	0	0	119.5
569	A	24.5	Very low	26.4	Very low	95 Å²	95	138.1 Å²	138.1	79%	0.785	83%	0.832	S	S	*	*				-175.5	126.1	112.8	0	0	0	0	0	110.7	A571	A569-A571 PolarHBondContact O-N 2.9Å
570	A	25	Very low	27.1	Very low	113 Å²	113	129.1 Å²	129.1	93%	0.934	81%	0.806	S	S	*	*			trans	-85.9	97.9	175.5	0	0	0	0	0	110.9
571	A	24	Very low	27.7	Very low	96 Å²	96	125.8 Å²	125.8	79%	0.793	78%	0.781	S	S	*	*			trans	-103.4	105.9	166.5	0	0	0	0	0	109.3	A569 G573	A569-A571 PolarHBondContact O-N 2.9Å; A571-G573 PolarHBondContact O-N 3.15Å
572	C	23.3	Very low	28.1	Very low	125 Å²	125	124.1 Å²	124.1	85%	0.845	75%	0.752	S	S	*	*			trans	-75	90.3	176.7	-173.1	0	0	0	0	110	K574	C572-K574 PolarHBondContact O-N 3.42Å
573	G	23.1	Very low	28.6	Very low	72 Å²	72	122 Å²	122	74%	0.742	74%	0.737	S	S	*	*			trans	-70.3	112.6	170.7	0	0	0	0	0	110.3	A571 E575	A571-G573 PolarHBondContact O-N 3.15Å; G573-E575 PolarHBondContact O-N 3.05Å
574	K	24.6	Very low	29	Very low	200 Å²	200	117.4 Å²	117.4	87%	0.87	72%	0.723	S	S	*	*			trans	-75.7	107.9	173	-70.7	-177.6	176.3	-178.5	0	109.8	C572 A576	C572-K574 PolarHBondContact O-N 3.42Å; K574-A576 PolarHBondContact O-N 3.41Å
575	E	24.1	Very low	29.4	Very low	167 Å²	167	118.7 Å²	118.7	78%	0.78	72%	0.715	S	S	*	*			trans	-63.7	120	160.3	-69.1	-172.4	148	0	0	109.1	G573 R577	G573-E575 PolarHBondContact O-N 3.05Å; E575-R577 VanDerWaalsContact C-N 3.25Å; E575-R577 PolarHBondContact O-N 3.23Å
576	A	25.1	Very low	29.7	Very low	102 Å²	102	118.6 Å²	118.6	84%	0.843	70%	0.7	S	S	*	*			trans	-78.2	72.6	175.9	0	0	0	0	0	111	K574	K574-A576 PolarHBondContact O-N 3.41Å
577	R	28.8	Very low	30.2	Very low	215 Å²	215	116.3 Å²	116.3	81%	0.811	67%	0.669	S	S	*	*			trans	-66	130.7	161.6	-79	-174.1	175.4	-167.8	-3.7	108.6	E575	E575-R577 VanDerWaalsContact C-N 3.25Å; E575-R577 PolarHBondContact O-N 3.23Å
578	R	30.2	Very low	30.5	Very low	183 Å²	183	112.5 Å²	112.5	69%	0.691	66%	0.655	S	S	*	*			trans	-80.5	132.7	179.1	-67.4	176.7	172.9	174	-3.9	109.8	S580	R578-S580 PolarHBondContact O-N 3Å
579	D	29.8	Very low	31.4	Very low	146 Å²	146	110.9 Å²	110.9	78%	0.781	64%	0.644	S	S	*	*			trans	-72.2	111.1	179.8	-69.5	-39.2	0	0	0	111.9	R828	D579-R828 PolarHBondContact O-NH1 3.36Å
580	S	42.3	Very low	32	Very low	50 Å²	50	110.2 Å²	110.2	35%	0.35	63%	0.627	S	S	.	*			trans	-62.8	156.9	165.9	-176.5	0	0	0	0	111	R578 F582	R578-S580 PolarHBondContact O-N 3Å; S580-F582 PolarHBondContact O-N 3.21Å; S580-F582 PolarHBondContact OG-N 3.38Å; S580-F582 VanDerWaalsContact OG-N 3.15Å
581	L	43.6	Very low	32.8	Very low	63 Å²	63	107.5 Å²	107.5	33%	0.33	59%	0.594	S	S	.	*	S	Bend	trans	-72.2	-13.8	166.7	-87.2	167	0	0	0	113.1	M818 L826	L581-M818 HydrophobicContact CD1-CE 4.43Å; L581-M818 HydrophobicContact CD1-SD 4.45Å; L581-L826 HydrophobicContact CD1-CD2 4.21Å
582	F	36.1	Very low	33.6	Very low	42 Å²	42	106.1 Å²	106.1	18%	0.184	58%	0.578	C	S	.	*	S	Bend	trans	-102.9	142.8	177.8	-58	-90.8	0	0	0	111.2	S580 L587 T782 F815	S580-F582 PolarHBondContact O-N 3.21Å; S580-F582 PolarHBondContact OG-N 3.38Å; S580-F582 VanDerWaalsContact OG-N 3.15Å; F582-L587 HydrophobicContact CB-CD1 3.74Å; F582-L587 HydrophobicContact CB-CD2 3.87Å; F582-L587 HydrophobicContact CB-CG 3.66Å; F582-L587 HydrophobicContact CD1-CD2 4.13Å; F582-L587 HydrophobicContact CD2-CD1 4.49Å; F582-L587 HydrophobicContact CD2-CD2 4.29Å; F582-L587 HydrophobicContact CG-CD1 4.32Å; F582-L587 HydrophobicContact CG-CD2 3.85Å; F582-L587 HydrophobicContact CG-CG 4.21Å; F582-T782 HydrophobicContact CE2-CG2 3.73Å; F582-T782 HydrophobicContact CZ-CG2 3.76Å; F582-F815 HydrophobicContact CE2-CE2 4.46Å; F582-F815 HydrophobicContact CE2-CZ 4.13Å; F582-F815 AromaticContact CZ-CE2 3.91Å; F582-F815 HydrophobicContact CZ-CE2 3.91Å; F582-F815 HydrophobicContact CZ-CZ 4.05Å
583	C	36.6	Very low	34.3	Very low	71 Å²	71	109.1 Å²	109.1	48%	0.48	57%	0.573	S	S	.	*			trans	-61.8	134.8	168	-71.1	0	0	0	0	109.8	D585 E586 L587	C583-D585 PolarHBondContact O-N 2.7Å; C583-E586 HydrophobicContact CB-CB 4.46Å; C583-E586 HydrophobicContact CB-CG 4.11Å; C583-E586 PolarHBondContact O-N 3.5Å; C583-E586 VanDerWaalsContact O-N 3.08Å; C583-L587 PolarHBondContact O-N 2.83Å
584	P	36	Very low	35	Very low	93 Å²	93	110.3 Å²	110.3	60%	0.604	56%	0.558	S	S	*	*	H	α-helix	trans	-52.8	-41.2	179	-28.1	35.5	0	0	0	113.1	E586 L587 D588	P584-E586 VanDerWaalsContact C-N 3.27Å; P584-E586 PolarHBondContact O-N 2.83Å; P584-L587 PolarHBondContact O-N 3.45Å; P584-D588 PolarHBondContact O-N 3.33Å
585	D	34.1	Very low	35.6	Very low	136 Å²	136	106.6 Å²	106.6	73%	0.727	55%	0.548	S	S	*	.	H	α-helix	trans	-66.1	-24.8	-177.7	-53	-34.7	0	0	0	113.6	C583 S589	C583-D585 PolarHBondContact O-N 2.7Å; D585-S589 WeakPolarHBondContact O-CB 3.45Å; D585-S589 PolarHBondContact O-N 3.5Å
586	E	36	Very low	36	Very low	127 Å²	127	102.3 Å²	102.3	59%	0.593	53%	0.533	S	S	*	.	H	α-helix	trans	-79.7	-37.8	176.2	-68.1	-179.4	154.3	0	0	111.4	C583 P584 L590	C583-E586 HydrophobicContact CB-CB 4.46Å; C583-E586 HydrophobicContact CB-CG 4.11Å; C583-E586 PolarHBondContact O-N 3.5Å; C583-E586 VanDerWaalsContact O-N 3.08Å; P584-E586 VanDerWaalsContact C-N 3.27Å; P584-E586 PolarHBondContact O-N 2.83Å; E586-L590 WeakPolarHBondContact O-CB 3.49Å; E586-L590 PolarHBondContact O-N 3.14Å; E586-L590 VanDerWaalsContact O-N 3.13Å
587	L	35.5	Very low	36.3	Very low	31 Å²	31	100.5 Å²	100.5	16%	0.162	52%	0.515	C	S	.	.	H	α-helix	trans	-71.7	-42.3	177.9	-67.3	-179.9	0	0	0	112.3	F582 C583 P584 S589 L590 F591	F582-L587 HydrophobicContact CB-CD1 3.74Å; F582-L587 HydrophobicContact CB-CD2 3.87Å; F582-L587 HydrophobicContact CB-CG 3.66Å; F582-L587 HydrophobicContact CD1-CD2 4.13Å; F582-L587 HydrophobicContact CD2-CD1 4.49Å; F582-L587 HydrophobicContact CD2-CD2 4.29Å; F582-L587 HydrophobicContact CG-CD1 4.32Å; F582-L587 HydrophobicContact CG-CD2 3.85Å; F582-L587 HydrophobicContact CG-CG 4.21Å; C583-L587 PolarHBondContact O-N 2.83Å; P584-L587 PolarHBondContact O-N 3.45Å; L587-S589 VanDerWaalsContact C-N 3.29Å; L587-S589 PolarHBondContact O-N 2.84Å; L587-L590 PolarHBondContact O-N 3.09Å; L587-F591 HydrophobicContact CB-CD2 4.17Å; L587-F591 HydrophobicContact CB-CE2 4.18Å; L587-F591 HydrophobicContact CD2-CE2 3.99Å; L587-F591 WeakPolarHBondContact O-CB 3.47Å; L587-F591 WeakPolarHBondContact O-CD2 3.15Å; L587-F591 PolarHBondContact O-N 2.98Å
588	D	35.4	Very low	36.5	Very low	116 Å²	116	94.4 Å²	94.4	62%	0.62	51%	0.505	S	S	*	.	H	α-helix	trans	-65	-35.5	178.3	-81.1	-14.4	0	0	0	111.3	P584 S592	P584-D588 PolarHBondContact O-N 3.33Å; D588-S592 WeakPolarHBondContact O-CB 3.32Å; D588-S592 PolarHBondContact O-N 2.93Å; D588-S592 PolarHBondContact O-OG 3.46Å
589	S	41.3	Very low	36.5	Very low	85 Å²	85	93.7 Å²	93.7	59%	0.594	51%	0.507	S	S	*	.	H	α-helix	trans	-61	-48.9	170.4	-170.7	0	0	0	0	111.5	D585 L587 F591 S592	D585-S589 WeakPolarHBondContact O-CB 3.45Å; D585-S589 PolarHBondContact O-N 3.5Å; L587-S589 VanDerWaalsContact C-N 3.29Å; L587-S589 PolarHBondContact O-N 2.84Å; S589-F591 PolarHBondContact O-N 3.01Å; S589-S592 PolarHBondContact O-OG 3.15Å
590	L	38.3	Very low	36.4	Very low	81 Å²	81	93.5 Å²	93.5	42%	0.424	51%	0.505	S	S	.	.	H	α-helix	trans	-65.6	-37.3	-178.7	-151.8	79.3	0	0	0	113.3	E586 L587 L786	E586-L590 WeakPolarHBondContact O-CB 3.49Å; E586-L590 PolarHBondContact O-N 3.14Å; E586-L590 VanDerWaalsContact O-N 3.13Å; L587-L590 PolarHBondContact O-N 3.09Å; L590-L786 HydrophobicContact CD2-CD2 4.13Å
591	F	40.4	Very low	35.9	Very low	56 Å²	56	102.2 Å²	102.2	25%	0.246	53%	0.53	C	S	.	.	H	α-helix	trans	-91.8	-20.4	-176.6	-66.2	-54.4	0	0	0	114.6	L587 S589 Y593 F594	L587-F591 HydrophobicContact CB-CD2 4.17Å; L587-F591 HydrophobicContact CB-CE2 4.18Å; L587-F591 HydrophobicContact CD2-CE2 3.99Å; L587-F591 WeakPolarHBondContact O-CB 3.47Å; L587-F591 WeakPolarHBondContact O-CD2 3.15Å; L587-F591 PolarHBondContact O-N 2.98Å; S589-F591 PolarHBondContact O-N 3.01Å; F591-Y593 PolarHBondContact O-N 3.41Å; F591-Y593 VanDerWaalsContact O-N 3.12Å; F591-F594 PolarHBondContact O-N 3.32Å
592	S	40.7	Very low	35.2	Very low	67 Å²	67	104.1 Å²	104.1	47%	0.469	55%	0.549	S	S	.	.	H	α-helix	trans	-58.2	-25.5	175.7	66.1	0	0	0	0	113.8	D588 S589 F594 T596	D588-S592 WeakPolarHBondContact O-CB 3.32Å; D588-S592 PolarHBondContact O-N 2.93Å; D588-S592 PolarHBondContact O-OG 3.46Å; S589-S592 PolarHBondContact O-OG 3.15Å; S592-F594 VanDerWaalsContact C-N 3.29Å; S592-F594 PolarHBondContact O-N 3.37Å; S592-T596 PolarHBondContact O-OG1 3.34Å
593	Y	38.4	Very low	34.7	Very low	189 Å²	189	110.9 Å²	110.9	74%	0.741	58%	0.583	S	S	*	*	H	α-helix	trans	-67.6	-24.1	175	-131.5	-90	0	0	0	113.5	F591 T596	F591-Y593 PolarHBondContact O-N 3.41Å; F591-Y593 VanDerWaalsContact O-N 3.12Å; Y593-T596 PolarHBondContact O-OG1 2.96Å
594	F	38.6	Very low	34.2	Very low	96 Å²	96	117.7 Å²	117.7	42%	0.421	61%	0.605	S	S	.	*	H	α-helix	trans	-84.1	-35.5	-179.7	-81.4	-88.8	0	0	0	113.1	F591 S592 T596 S597 S598 M789	F591-F594 PolarHBondContact O-N 3.32Å; S592-F594 VanDerWaalsContact C-N 3.29Å; S592-F594 PolarHBondContact O-N 3.37Å; F594-T596 PolarHBondContact O-N 2.99Å; F594-S597 PolarHBondContact O-N 3.35Å; F594-S598 PolarHBondContact O-N 3.5Å; F594-M789 HydrophobicContact CE2-SD 4.36Å; F594-M789 HydrophobicContact CZ-CB 4.48Å; F594-M789 HydrophobicContact CZ-CG 4.18Å
595	D	35.8	Very low	33.7	Very low	122 Å²	122	118.8 Å²	118.8	65%	0.652	61%	0.614	S	S	*	*	H	α-helix	trans	-69.5	-14.6	179.8	-104.4	-8.3	0	0	0	113.9	S598	D595-S598 PolarHBondContact O-OG 3.05Å
596	T	32.6	Very low	33.4	Very low	78 Å²	78	117 Å²	117	48%	0.479	62%	0.619	S	S	.	*	H	α-helix	trans	-92.2	-33.7	173.6	43	0	0	0	0	112.6	S592 Y593 F594 S598 K599 L600	S592-T596 PolarHBondContact O-OG1 3.34Å; Y593-T596 PolarHBondContact O-OG1 2.96Å; F594-T596 PolarHBondContact O-N 2.99Å; T596-S598 PolarHBondContact O-N 3.35Å; T596-K599 PolarHBondContact O-N 3.35Å; T596-L600 PolarHBondContact O-N 3.08Å
597	S	31.7	Very low	32.8	Very low	64 Å²	64	118.1 Å²	118.1	45%	0.448	63%	0.629	S	S	.	*	H	α-helix	trans	-61.5	-40.9	177.5	-179.6	0	0	0	0	113.1	F594 K599 L600	F594-S597 PolarHBondContact O-N 3.35Å; S597-K599 VanDerWaalsContact C-N 3.28Å; S597-K599 PolarHBondContact O-N 3.4Å; S597-L600 PolarHBondContact O-N 3.27Å
598	S	32.6	Very low	32.5	Very low	86 Å²	86	121.8 Å²	121.8	60%	0.601	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-26.9	178.6	61.8	0	0	0	0	113.7	F594 D595 T596	F594-S598 PolarHBondContact O-N 3.5Å; D595-S598 PolarHBondContact O-OG 3.05Å; T596-S598 PolarHBondContact O-N 3.35Å
599	K	31.3	Very low	32	Very low	168 Å²	168	119.5 Å²	119.5	73%	0.73	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-17.6	176.8	-76.4	171.5	179.7	160	0	113.9	T596 S597	T596-K599 PolarHBondContact O-N 3.35Å; S597-K599 VanDerWaalsContact C-N 3.28Å; S597-K599 PolarHBondContact O-N 3.4Å
600	L	27.1	Very low	31.4	Very low	142 Å²	142	122.7 Å²	122.7	74%	0.743	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-5	-174.9	-88.5	161.1	0	0	0	115.1	T596 S597 S602	T596-L600 PolarHBondContact O-N 3.08Å; S597-L600 PolarHBondContact O-N 3.27Å; L600-S602 VanDerWaalsContact C-N 3.32Å
601	R	30.9	Very low	30.9	Very low	233 Å²	233	126.9 Å²	126.9	88%	0.879	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	2.8	173.6	-67.8	-165.8	-173.6	-162.9	3.3	115
602	S	30.6	Very low	30.2	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	71%	0.711	S	S	*	*	S	Bend	trans	-129.3	71.1	177	-167.7	0	0	0	0	111.9	L600	L600-S602 VanDerWaalsContact C-N 3.32Å
603	M	24.6	Very low	29.4	Very low	183 Å²	183	133 Å²	133	90%	0.901	73%	0.726	S	S	*	*			trans	-170.6	101.7	160.2	-113.9	174	156.2	0	0	114
604	K	26	Very low	28.9	Very low	215 Å²	215	128.6 Å²	128.6	94%	0.935	73%	0.728	S	S	*	*			trans	-176.8	140.7	150.3	-101.2	168.4	-171.2	179.9	0	106.4
605	S	24.9	Very low	28.2	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	75%	0.752	S	S	*	*			cis	-138.6	157.2	4.2	51.2	0	0	0	0	110.8
606	A	28.6	Very low	27.7	Very low	99 Å²	99	129.2 Å²	129.2	82%	0.818	75%	0.75	S	S	*	*			trans	-79.6	150	170.7	0	0	0	0	0	111.6
607	D	24.2	Very low	27.5	Very low	150 Å²	150	130.7 Å²	130.7	80%	0.802	76%	0.763	S	S	*	*			trans	-145	149.4	141.1	-147.5	-24.2	0	0	0	111.3
608	S	28.5	Very low	27.3	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	78%	0.778	S	S	*	*			trans	-15.6	144.1	175.2	45.9	0	0	0	0	122.5
609	G	24.9	Very low	27.2	Very low	68 Å²	68	139.2 Å²	139.2	70%	0.701	78%	0.778	S	S	*	*				137	94.4	126.3	0	0	0	0	0	120.7
610	I	29.3	Very low	26.9	Very low	153 Å²	153	138.1 Å²	138.1	79%	0.785	78%	0.777	S	S	*	*			trans	60.2	108.7	133.4	-56.9	173	0	0	0	120.6
611	Q	26.6	Very low	26.8	Very low	168 Å²	168	138.7 Å²	138.7	79%	0.785	78%	0.78	S	S	*	*			trans	47.6	152.6	133.1	-59	-178.6	-63.6	0	0	124.8
612	N	25.9	Very low	26.4	Very low	141 Å²	141	131.2 Å²	131.2	75%	0.754	77%	0.768	S	S	*	*			trans	78.8	121.8	164.5	-61.3	-19.5	0	0	0	115.6
613	S	25.2	Very low	26	Very low	111 Å²	111	132.9 Å²	132.9	78%	0.776	77%	0.774	S	S	*	*			cis	101.4	112.2	46	-78.2	0	0	0	0	111.9
614	A	26.3	Very low	26.1	Very low	96 Å²	96	130.5 Å²	130.5	79%	0.793	77%	0.77	S	S	*	*			trans	34.6	115.8	149.2	0	0	0	0	0	121.6
615	D	25.5	Very low	26.6	Very low	174 Å²	174	125.3 Å²	125.3	93%	0.93	76%	0.758	S	S	*	*				74.4	143.7	120	-156.6	21.6	0	0	0	121.8
616	G	24.2	Very low	26.7	Very low	58 Å²	58	124.9 Å²	124.9	60%	0.598	76%	0.755	S	S	*	*			trans	93.9	143.9	175.1	0	0	0	0	0	115.6
617	S	27.7	Very low	26.6	Very low	108 Å²	108	124.6 Å²	124.6	76%	0.755	75%	0.747	S	S	*	*			cis	-174.9	157.7	-4.2	-114.5	0	0	0	0	110.5
618	R	28.6	Very low	26.6	Very low	204 Å²	204	124.3 Å²	124.3	77%	0.77	75%	0.746	S	S	*	*			trans	66.8	154.3	148.8	-74.8	176.6	86.2	147.5	12.9	118.1
619	E	29.5	Very low	26.5	Very low	126 Å²	126	123.8 Å²	123.8	59%	0.589	74%	0.742	S	S	*	*			cis	-173.3	143.6	-12.7	-165	168.4	-141.5	0	0	104.6
620	M	25.2	Very low	26.4	Very low	145 Å²	145	128.8 Å²	128.8	71%	0.714	75%	0.752	S	S	*	*				168.3	137.9	99.8	-88.7	-68.4	-121.6	0	0	111.8
621	L	25.2	Very low	26.2	Very low	153 Å²	153	125.1 Å²	125.1	80%	0.801	74%	0.744	S	S	*	*			trans	17.9	151.9	133.3	-55.3	177.1	0	0	0	121.7
622	A	23.8	Very low	26.1	Very low	76 Å²	76	124.6 Å²	124.6	63%	0.628	75%	0.747	S	S	*	*			cis	-176.8	-176.5	-15	0	0	0	0	0	110.7
623	T	21.4	Very low	26.1	Very low	139 Å²	139	121.7 Å²	121.7	85%	0.853	74%	0.743	S	S	*	*			trans	84	103.1	163.9	66.4	0	0	0	0	119.3
624	T	27.2	Very low	26.2	Very low	134 Å²	134	125.6 Å²	125.6	82%	0.822	75%	0.749	S	S	*	*			trans	-93	-174.7	150.6	65.1	0	0	0	0	108.1
625	P	36.8	Very low	26.1	Very low	106 Å²	106	125.9 Å²	125.9	69%	0.688	75%	0.751	S	S	*	*				-157.2	169.4	61.9	40.6	-17.7	0	0	0	119.2
626	S	26.9	Very low	26.1	Very low	106 Å²	106	122.9 Å²	122.9	74%	0.741	75%	0.75	S	S	*	*			trans	59.6	154.4	141.1	55.2	0	0	0	0	121.9
627	S	25.2	Very low	26.1	Very low	93 Å²	93	129 Å²	129	65%	0.65	76%	0.763	S	S	*	*			cis	-178	158.5	-14.3	52.1	0	0	0	0	111.9
628	N	25.2	Very low	26.1	Very low	144 Å²	144	128 Å²	128	77%	0.77	76%	0.762	S	S	*	*			trans	74.8	118.8	145.3	-69.3	0.9	0	0	0	124.4
629	S	24.9	Very low	26.2	Very low	97 Å²	97	124.3 Å²	124.3	68%	0.678	76%	0.764	S	S	*	*				84	127.6	121.5	-60.8	0	0	0	0	124.5
630	L	24.1	Very low	26.3	Very low	172 Å²	172	123.6 Å²	123.6	90%	0.901	77%	0.771	S	S	*	*			trans	60.4	136.3	142	-61.2	165.9	0	0	0	118
631	A	24.4	Very low	26.3	Very low	77 Å²	77	123.5 Å²	123.5	64%	0.636	78%	0.778	S	S	*	*			cis	-154.2	-159.3	-2.6	0	0	0	0	0	107.9
632	D	24.8	Very low	26.5	Very low	157 Å²	157	121.7 Å²	121.7	84%	0.84	78%	0.775	S	S	*	*			cis	-159.4	-161.4	8.9	-141.8	-52.5	0	0	0	112
633	A	27	Very low	26.6	Very low	80 Å²	80	123.1 Å²	123.1	66%	0.661	79%	0.787	S	S	*	*			trans	-68.6	173.6	-177.2	0	0	0	0	0	117
634	E	25.4	Very low	26.9	Very low	193 Å²	193	123.1 Å²	123.1	90%	0.902	79%	0.787	S	S	*	*			cis	-141.6	143.5	20.9	-60.2	176.6	115.8	0	0	114.6
635	A	24.5	Very low	26.9	Very low	101 Å²	101	124.3 Å²	124.3	84%	0.835	79%	0.787	S	S	*	*			trans	-157.4	130.6	144.1	0	0	0	0	0	108.4
636	A	27.2	Very low	26.4	Very low	112 Å²	112	125.2 Å²	125.2	93%	0.926	79%	0.793	S	S	*	*			trans	-79.1	139.7	-171	0	0	0	0	0	113.4
637	E	23.8	Very low	26.3	Very low	186 Å²	186	126.7 Å²	126.7	87%	0.869	80%	0.798	S	S	*	*			trans	-124.9	147.6	173.2	-158.3	-178.5	-136.6	0	0	111.1
638	A	27.2	Very low	26.4	Very low	88 Å²	88	126.8 Å²	126.8	73%	0.727	81%	0.805	S	S	*	*			trans	-137.8	155.6	172.2	0	0	0	0	0	108.7
639	P	30	Very low	26.5	Very low	126 Å²	126	125.3 Å²	125.3	82%	0.818	81%	0.805	S	S	*	*			trans	-83.5	159.8	-135.9	30.5	-37.9	0	0	0	116.8
640	P	32.6	Very low	26.7	Very low	111 Å²	111	126.4 Å²	126.4	72%	0.721	81%	0.81	S	S	*	*			trans	-102.7	136.9	-172.8	37.2	-32.8	0	0	0	115.2
641	V	25.4	Very low	26.7	Very low	143 Å²	143	124.3 Å²	124.3	87%	0.867	81%	0.808	S	S	*	*			trans	178.3	157.8	135.8	-96.5	0	0	0	0	110.1
642	P	29.6	Very low	26.9	Very low	115 Å²	115	129.8 Å²	129.8	75%	0.747	82%	0.818	S	S	*	*			cis	-122.7	152.3	-24.2	35.3	-20.8	0	0	0	112.4	T644	P642-T644 PolarHBondContact O-N 3.39Å
643	A	25.2	Very low	26.9	Very low	105 Å²	105	130.9 Å²	130.9	87%	0.868	82%	0.818	S	S	*	*			trans	-79.9	110.7	178.7	0	0	0	0	0	112.5
644	T	27.2	Very low	27.3	Very low	139 Å²	139	132.8 Å²	132.8	85%	0.853	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.9	129.9	165.3	3.9	0	0	0	0	110.5	P642	P642-T644 PolarHBondContact O-N 3.39Å
645	L	27.8	Very low	27.7	Very low	160 Å²	160	129 Å²	129	84%	0.838	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-60.7	135.6	172.2	-75.5	151.1	0	0	0	111.1	T647	L645-T647 PolarHBondContact O-N 3.11Å
646	P	26	Very low	28.5	Very low	125 Å²	125	127 Å²	127	81%	0.812	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-63.7	132	167	-18.4	31.6	0	0	0	110.5
647	T	25.9	Very low	29.6	Very low	136 Å²	136	129.8 Å²	129.8	83%	0.834	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.8	147.5	-179.9	45.5	0	0	0	0	112.6	L645	L645-T647 PolarHBondContact O-N 3.11Å
648	A	26.3	Very low	31.1	Very low	96 Å²	96	126.7 Å²	126.7	79%	0.793	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-53.2	143.3	175.7	0	0	0	0	0	113.4
649	S	26.7	Very low	32.8	Very low	112 Å²	112	123.1 Å²	123.1	78%	0.783	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-60.3	137.2	177.3	-54.3	0	0	0	0	111.8
650	P	28.7	Very low	34.2	Very low	120 Å²	120	125.7 Å²	125.7	78%	0.779	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-70.6	136.3	176	-14.3	28.7	0	0	0	111.5	K652	P650-K652 PolarHBondContact O-N 2.97Å
651	C	25.7	Very low	36.1	Very low	128 Å²	128	128.3 Å²	128.3	87%	0.865	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-59.2	130.3	162.1	-63	0	0	0	0	108.9	E653	C651-E653 PolarHBondContact O-N 3.19Å
652	K	27.2	Very low	39	Very low	192 Å²	192	122.9 Å²	122.9	84%	0.835	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-70.7	126.8	179.8	-73.6	-179.8	177.1	176.5	0	110.6	P650 V654	P650-K652 PolarHBondContact O-N 2.97Å; K652-V654 PolarHBondContact O-N 3.35Å
653	E	25.3	Very low	41.9	Very low	181 Å²	181	119 Å²	119	85%	0.846	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-52.1	124.4	154.9	-102.3	178.3	142	0	0	109.1	C651 V655	C651-E653 PolarHBondContact O-N 3.19Å; E653-V655 VanDerWaalsContact C-N 3.34Å; E653-V655 PolarHBondContact O-N 3.32Å
654	V	36	Very low	45.1	Very low	120 Å²	120	115.6 Å²	115.6	73%	0.727	64%	0.64	S	S	*	*			trans	-80.4	87	177.1	-172	0	0	0	0	108.5	K652 F656	K652-V654 PolarHBondContact O-N 3.35Å; V654-F656 PolarHBondContact O-N 2.95Å; V654-F656 VanDerWaalsContact O-N 3.16Å
655	V	34.1	Very low	48.3	Very low	112 Å²	112	109.1 Å²	109.1	68%	0.679	60%	0.6	S	S	*	*			trans	-69.8	108.4	171.4	-177.8	0	0	0	0	108.3	E653 F657	E653-V655 VanDerWaalsContact C-N 3.34Å; E653-V655 PolarHBondContact O-N 3.32Å; V655-F657 PolarHBondContact O-N 2.65Å
656	F	41.4	Very low	51.4	Low	59 Å²	59	101.8 Å²	101.8	26%	0.259	56%	0.562	S	S	.	*			trans	-48.7	109.1	173.8	179.6	-94.6	0	0	0	110.8	S534 V654	S534-F656 VanDerWaalsContact OG-CE2 3.24Å; S534-F656 WeakPolarHBondContact OG-CE2 3.41Å; S534-F656 WeakPolarHBondContact OG-CZ 3.45Å; V654-F656 PolarHBondContact O-N 2.95Å; V654-F656 VanDerWaalsContact O-N 3.16Å
657	F	50.3	Low	54.7	Low	172 Å²	172	96 Å²	96	75%	0.754	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-81.9	137.8	168.3	-114.8	-100.9	0	0	0	108.3	V655 P659	V655-F657 PolarHBondContact O-N 2.65Å; F657-P659 VanDerWaalsContact O-CD 3.26Å; F657-P659 WeakPolarHBondContact O-CD 3.28Å
658	E	54.8	Low	58.1	Low	120 Å²	120	89.5 Å²	89.5	56%	0.561	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-68.8	119	173.4	-165.1	175.4	177.4	0	0	108.6	R527 Y662	R527-E658 IonicContact NH1-OE1 2.62Å; R527-E658 PolarHBondContact NH1-OE1 3.21Å; E658-Y662 WeakPolarHBondContact CG-OH 3.43Å
659	P	62.2	Low	61.3	Low	13 Å²	13	85 Å²	85	8%	0.084	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-60.8	140.2	-173.9	-25.9	35.7	0	0	0	111.9	F657 E661 L666	F657-P659 VanDerWaalsContact O-CD 3.26Å; F657-P659 WeakPolarHBondContact O-CD 3.28Å; P659-E661 VanDerWaalsContact C-N 3.27Å; P659-E661 PolarHBondContact O-N 2.63Å; P659-L666 HydrophobicContact CB-CD2 3.85Å; P659-L666 HydrophobicContact CG-CD2 3.99Å
660	K	59.3	Low	64.5	Low	181 Å²	181	79.7 Å²	79.7	79%	0.787	41%	0.409	S	S	*	.	S	Bend	trans	-69	-26.6	-177.3	-70.9	174.5	-177.2	166.1	0	113.3
661	E	74.1	Confident	67.7	Low	166 Å²	166	74 Å²	74	78%	0.776	37%	0.372	S	S	*	.	S	Bend	trans	-145.3	133	-175.5	-155.4	165.8	-140.6	0	0	110.2	P659	P659-E661 VanDerWaalsContact C-N 3.27Å; P659-E661 PolarHBondContact O-N 2.63Å
662	Y	84.6	Confident	71	Confident	29 Å²	29	67.9 Å²	67.9	11%	0.114	33%	0.331	C	S	.	.			trans	-102.2	121.9	-177.3	-71.7	-93.2	0	0	0	109.5	L526 R527 V530 V531 E658 L666	L526-Y662 WeakPolarHBondContact CD2-O 3.44Å; R527-Y662 HydrophobicContact CB-CD1 4.17Å; R527-Y662 HydrophobicContact CB-CD2 4.22Å; R527-Y662 HydrophobicContact CB-CE1 4.21Å; R527-Y662 HydrophobicContact CB-CE2 4.3Å; R527-Y662 HydrophobicContact CB-CG 4.14Å; R527-Y662 HydrophobicContact CG-CD1 4.45Å; R527-Y662 HydrophobicContact CG-CD2 4.35Å; R527-Y662 HydrophobicContact CG-CE1 4Å; R527-Y662 HydrophobicContact CG-CE2 3.92Å; V530-Y662 HydrophobicContact CB-CD1 3.72Å; V530-Y662 HydrophobicContact CB-CE1 3.89Å; V530-Y662 HydrophobicContact CG1-CD1 3.77Å; V530-Y662 HydrophobicContact CG1-CE1 3.7Å; V530-Y662 HydrophobicContact CG2-CD1 4.09Å; V531-Y662 HydrophobicContact CG2-CE1 4.02Å; V531-Y662 WeakPolarHBondContact CG2-OH 3.42Å; E658-Y662 WeakPolarHBondContact CG-OH 3.43Å; Y662-L666 HydrophobicContact CD1-CD2 4.4Å
663	S	91.1	Very high	74.2	Confident	32 Å²	32	59.2 Å²	59.2	22%	0.224	29%	0.293	C	S	.	.			trans	-129.5	157.7	-177	71.4	0	0	0	0	112	G665 L666 Q667	S663-G665 PolarHBondContact O-N 3.3Å; S663-G665 PolarHBondContact OG-N 3.5Å; S663-L666 WeakPolarHBondContact O-CB 3.41Å; S663-L666 PolarHBondContact O-N 2.65Å; S663-L666 PolarHBondContact OG-N 2.98Å; S663-L666 VanDerWaalsContact OG-N 3.12Å; S663-Q667 PolarHBondContact O-N 3.01Å
664	P	92.9	Very high	77.4	Confident	35 Å²	35	51.2 Å²	51.2	23%	0.227	26%	0.257	C	S	.	.	H	α-helix	trans	-56.5	-31	168.7	-27.1	36.5	0	0	0	113	Q667 L668 H686 A688	P664-Q667 WeakPolarHBondContact O-CB 2.81Å; P664-Q667 PolarHBondContact O-N 2.96Å; P664-L668 PolarHBondContact O-N 3.25Å; P664-H686 HydrophobicContact CB-CB 4.1Å; P664-H686 HydrophobicContact CG-CB 4.02Å; P664-A688 VanDerWaalsContact C-CB 3.46Å; P664-A688 HydrophobicContact CB-CB 3.81Å; P664-A688 VanDerWaalsContact O-CB 3.26Å; P664-A688 WeakPolarHBondContact O-CB 3.41Å
665	G	94.3	Very high	80.2	Confident	3 Å²	3	51.4 Å²	51.4	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-42.8	173	0	0	0	0	0	112.6	S663 L668 Y669	S663-G665 PolarHBondContact O-N 3.3Å; S663-G665 PolarHBondContact OG-N 3.5Å; G665-L668 PolarHBondContact O-N 3.22Å; G665-Y669 WeakPolarHBondContact O-CB 3.46Å; G665-Y669 PolarHBondContact O-N 2.92Å
666	L	93.3	Very high	83.1	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-69.6	-33.4	174.7	-173.6	62.7	0	0	0	112.4	V530 P659 Y662 S663 Y669 W670 W692	V530-L666 HydrophobicContact CG1-CD2 3.87Å; V530-L666 HydrophobicContact CG1-CG 3.91Å; P659-L666 HydrophobicContact CB-CD2 3.85Å; P659-L666 HydrophobicContact CG-CD2 3.99Å; Y662-L666 HydrophobicContact CD1-CD2 4.4Å; S663-L666 WeakPolarHBondContact O-CB 3.41Å; S663-L666 PolarHBondContact O-N 2.65Å; S663-L666 PolarHBondContact OG-N 2.98Å; S663-L666 VanDerWaalsContact OG-N 3.12Å; L666-Y669 HydrophobicContact CD1-CD1 4.35Å; L666-Y669 WeakPolarHBondContact O-CB 3.27Å; L666-Y669 PolarHBondContact O-N 3.06Å; L666-W670 VanDerWaalsContact O-CD1 3.31Å; L666-W670 PolarHBondContact O-N 2.82Å; L666-W692 HydrophobicContact CB-CH2 4.02Å; L666-W692 HydrophobicContact CB-CZ2 4.43Å; L666-W692 HydrophobicContact CB-CZ3 4.39Å; L666-W692 HydrophobicContact CD1-CH2 3.87Å; L666-W692 HydrophobicContact CD1-CZ3 4.15Å
667	Q	94.8	Very high	85.6	Confident	3 Å²	3	44.8 Å²	44.8	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-47.9	169.1	-178.2	-176.3	-13.4	0	0	110.8	L526 K529 V530 L533 S663 P664 Y669 W670 A671 D679 E682 A683	L526-Q667 HydrophobicContact CD1-CB 4.08Å; K529-Q667 HydrophobicContact CG-CG 4.45Å; V530-Q667 HydrophobicContact CG2-CB 4.09Å; L533-Q667 HydrophobicContact CD1-CG 4.29Å; S663-Q667 PolarHBondContact O-N 3.01Å; P664-Q667 WeakPolarHBondContact O-CB 2.81Å; P664-Q667 PolarHBondContact O-N 2.96Å; Q667-Y669 VanDerWaalsContact C-N 3.31Å; Q667-Y669 PolarHBondContact O-N 2.64Å; Q667-W670 PolarHBondContact O-N 3.48Å; Q667-A671 WeakPolarHBondContact O-CB 3.4Å; Q667-A671 PolarHBondContact O-N 2.93Å; Q667-D679 PolarHBondContact NE2-O 3.5Å; Q667-E682 PolarHBondContact NE2-OE2 2.87Å; Q667-E682 VanDerWaalsContact NE2-OE2 3.12Å; Q667-A683 HydrophobicContact CB-CB 4.11Å; Q667-A683 HydrophobicContact CG-CB 3.93Å
668	L	96.3	Very high	87.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-41	178.1	-176.8	63.2	0	0	0	111.6	P664 G665 S672 M680 A683 L684 A688 P702 L718	P664-L668 PolarHBondContact O-N 3.25Å; G665-L668 PolarHBondContact O-N 3.22Å; L668-S672 WeakPolarHBondContact O-CB 3.11Å; L668-S672 PolarHBondContact O-N 3.43Å; L668-S672 PolarHBondContact O-OG 3.41Å; L668-M680 HydrophobicContact CD1-CB 3.76Å; L668-M680 HydrophobicContact CD1-CG 4.02Å; L668-A683 HydrophobicContact CB-CB 3.88Å; L668-A683 HydrophobicContact CD1-CB 4.42Å; L668-L684 HydrophobicContact CD1-CD2 4.42Å; L668-L684 HydrophobicContact CD1-CG 4.3Å; L668-L684 HydrophobicContact CD2-CD2 3.76Å; L668-A688 HydrophobicContact CB-CB 3.96Å; L668-A688 HydrophobicContact CD2-CB 3.99Å; L668-P702 HydrophobicContact CD2-CB 4.28Å; L668-P702 HydrophobicContact CD2-CG 4.03Å; L668-P702 HydrophobicContact CG-CB 4.01Å; L668-P702 HydrophobicContact CG-CG 4.02Å; L668-L718 HydrophobicContact CD1-CD2 4.15Å; L668-L718 HydrophobicContact CD2-CD2 4.41Å; L668-L718 HydrophobicContact CG-CD2 4.48Å
669	Y	94.8	Very high	89.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.3	-55	176.6	-177.5	-92.8	0	0	0	112.3	G665 L666 Q667 S672 F673 W692 N694 E697 R700 M705	G665-Y669 WeakPolarHBondContact O-CB 3.46Å; G665-Y669 PolarHBondContact O-N 2.92Å; L666-Y669 HydrophobicContact CD1-CD1 4.35Å; L666-Y669 WeakPolarHBondContact O-CB 3.27Å; L666-Y669 PolarHBondContact O-N 3.06Å; Q667-Y669 VanDerWaalsContact C-N 3.31Å; Q667-Y669 PolarHBondContact O-N 2.64Å; Y669-S672 WeakPolarHBondContact O-CB 3.11Å; Y669-S672 PolarHBondContact O-N 3.23Å; Y669-F673 PolarHBondContact O-N 3.41Å; Y669-W692 HydrophobicContact CD2-CE3 4.32Å; Y669-W692 AromaticContact CD2-CZ3 3.99Å; Y669-W692 HydrophobicContact CD2-CZ3 3.99Å; Y669-W692 HydrophobicContact CG-CZ3 4.02Å; Y669-N694 HydrophobicContact CD2-CB 4.05Å; Y669-N694 HydrophobicContact CE1-CB 4.45Å; Y669-N694 HydrophobicContact CE2-CB 3.57Å; Y669-E697 WeakPolarHBondContact CE1-OE2 3.02Å; Y669-E697 VanDerWaalsContact CZ-OE2 3.25Å; Y669-E697 PolarHBondContact OH-OE2 3.18Å; Y669-R700 HydrophobicContact CE2-CB 3.8Å; Y669-M705 HydrophobicContact CD1-CG 4.05Å; Y669-M705 HydrophobicContact CD2-CG 3.59Å; Y669-M705 HydrophobicContact CE1-CE 3.78Å; Y669-M705 HydrophobicContact CE1-CG 3.74Å; Y669-M705 HydrophobicContact CE1-SD 4.1Å; Y669-M705 HydrophobicContact CE2-CG 3.22Å; Y669-M705 HydrophobicContact CE2-SD 4.03Å; Y669-M705 HydrophobicContact CG-CG 3.99Å; Y669-M705 VanDerWaalsContact CZ-SD 3.59Å; Y669-M705 PolarHBondContact OH-SD 3.24Å
670	W	94.4	Very high	91.4	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-74.5	-32.5	-179.6	-70.4	112	0	0	0	114	L533 E537 L666 Q667 S672 F673 S674 E697 M705	L533-W670 HydrophobicContact CB-CB 3.64Å; L533-W670 HydrophobicContact CD1-CB 4.49Å; E537-W670 HydrophobicContact CB-CZ3 3.96Å; E537-W670 HydrophobicContact CG-CZ3 4.19Å; E537-W670 WeakPolarHBondContact OE2-CH2 3.19Å; L666-W670 VanDerWaalsContact O-CD1 3.31Å; L666-W670 PolarHBondContact O-N 2.82Å; Q667-W670 PolarHBondContact O-N 3.48Å; W670-S672 VanDerWaalsContact C-N 3.27Å; W670-S672 PolarHBondContact O-N 2.9Å; W670-F673 PolarHBondContact O-N 2.85Å; W670-S674 WeakPolarHBondContact O-CB 3.19Å; W670-S674 PolarHBondContact O-N 3.02Å; W670-S674 PolarHBondContact O-OG 3.45Å; W670-E697 VanDerWaalsContact CZ2-OE1 3.3Å; W670-E697 WeakPolarHBondContact CZ2-OE1 3.37Å; W670-M705 HydrophobicContact CE3-CE 4.48Å; W670-M705 HydrophobicContact CH2-CE 4.45Å; W670-M705 HydrophobicContact CZ3-CE 4Å
671	A	95.3	Very high	93.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-33.8	173.4	0	0	0	0	0	111.9	L533 Q667 S674 R675 S676 D679 M680	L533-A671 HydrophobicContact CD1-CB 4.1Å; Q667-A671 WeakPolarHBondContact O-CB 3.4Å; Q667-A671 PolarHBondContact O-N 2.93Å; A671-S674 PolarHBondContact O-N 2.94Å; A671-R675 PolarHBondContact O-N 3.5Å; A671-R675 VanDerWaalsContact O-N 3.11Å; A671-S676 PolarHBondContact O-N 3.49Å; A671-D679 HydrophobicContact CB-CB 3.79Å; A671-M680 HydrophobicContact CB-CG 3.68Å
672	S	95.6	Very high	94.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64	-43.3	174.9	-59.5	0	0	0	0	112	L668 Y669 W670 R675 M680 P702	L668-S672 WeakPolarHBondContact O-CB 3.11Å; L668-S672 PolarHBondContact O-N 3.43Å; L668-S672 PolarHBondContact O-OG 3.41Å; Y669-S672 WeakPolarHBondContact O-CB 3.11Å; Y669-S672 PolarHBondContact O-N 3.23Å; W670-S672 VanDerWaalsContact C-N 3.27Å; W670-S672 PolarHBondContact O-N 2.9Å; S672-R675 PolarHBondContact O-N 3.47Å; S672-M680 WeakPolarHBondContact OG-CE 3.34Å; S672-P702 WeakPolarHBondContact CB-O 3.31Å; S672-P702 PolarHBondContact OG-O 3.26Å
673	F	94.1	Very high	94.7	Very high	10 Å²	10	18.1 Å²	18.1	4%	0.044	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-48.1	173.7	-176.7	-82.7	0	0	0	111.9	E537 L540 Y669 W670 R675 M705 H708 G709	E537-F673 VanDerWaalsContact CA-CE1 3.42Å; E537-F673 HydrophobicContact CB-CD1 4.36Å; E537-F673 HydrophobicContact CB-CE1 3.98Å; E537-F673 HydrophobicContact CB-CZ 4.3Å; E537-F673 HydrophobicContact CG-CE1 4.18Å; E537-F673 HydrophobicContact CG-CE2 4.41Å; E537-F673 HydrophobicContact CG-CZ 3.99Å; L540-F673 HydrophobicContact CB-CE1 3.97Å; L540-F673 HydrophobicContact CB-CZ 4.16Å; L540-F673 HydrophobicContact CD1-CD1 4.39Å; L540-F673 HydrophobicContact CD1-CE1 3.76Å; L540-F673 HydrophobicContact CG-CE1 4.46Å; Y669-F673 PolarHBondContact O-N 3.41Å; W670-F673 PolarHBondContact O-N 2.85Å; F673-R675 PolarHBondContact O-N 3.34Å; F673-M705 WeakPolarHBondContact CA-O 3.47Å; F673-M705 HydrophobicContact CB-CB 4.24Å; F673-M705 HydrophobicContact CB-CE 4.22Å; F673-M705 HydrophobicContact CD2-CE 3.82Å; F673-M705 HydrophobicContact CG-CE 4.28Å; F673-H708 HydrophobicContact CD2-CB 3.99Å; F673-H708 HydrophobicContact CE2-CB 3.97Å; F673-G709 WeakPolarHBondContact O-CA 3.47Å
674	S	92.4	Very high	94.9	Very high	13 Å²	13	17.2 Å²	17.2	9%	0.091	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-0.7	-179.6	-51.3	0	0	0	0	113.8	L533 E536 W670 A671 S676	L533-S674 PolarHBondContact O-OG 3.46Å; E536-S674 WeakPolarHBondContact OE2-CB 3.38Å; W670-S674 WeakPolarHBondContact O-CB 3.19Å; W670-S674 PolarHBondContact O-N 3.02Å; W670-S674 PolarHBondContact O-OG 3.45Å; A671-S674 PolarHBondContact O-N 2.94Å; S674-S676 PolarHBondContact O-N 3Å
675	R	93.7	Very high	95.1	Very high	125 Å²	125	15.7 Å²	15.7	47%	0.472	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	18.7	-179.8	-43.8	174.1	178.8	169.4	-0.8	114.4	A671 S672 F673 L677 G709 T714	A671-R675 PolarHBondContact O-N 3.5Å; A671-R675 VanDerWaalsContact O-N 3.11Å; S672-R675 PolarHBondContact O-N 3.47Å; F673-R675 PolarHBondContact O-N 3.34Å; R675-L677 PolarHBondContact O-N 3.25Å; R675-G709 PolarHBondContact NE-O 3.42Å; R675-G709 PolarHBondContact NH2-O 2.81Å; R675-T714 HydrophobicContact CB-CG2 4.33Å
676	S	94.8	Very high	95.1	Very high	27 Å²	27	17.4 Å²	17.4	19%	0.189	9%	0.087	C	C	.	.			trans	-91.3	88.1	-171	-174.4	0	0	0	0	112.7	A671 S674 P678 D679 M680	A671-S676 PolarHBondContact O-N 3.49Å; S674-S676 PolarHBondContact O-N 3Å; S676-P678 VanDerWaalsContact C-CD 3.47Å; S676-D679 WeakPolarHBondContact CB-OD2 3.07Å; S676-D679 PolarHBondContact O-N 3.29Å; S676-D679 VanDerWaalsContact O-N 3.16Å; S676-D679 WeakPolarHBondContact OG-CB 3.42Å; S676-D679 PolarHBondContact OG-OD2 3.08Å; S676-M680 VanDerWaalsContact O-CG 3.27Å; S676-M680 WeakPolarHBondContact O-CG 3.3Å; S676-M680 PolarHBondContact O-N 2.83Å
677	L	95.1	Very high	95	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-54.8	-39.6	176.5	-69.1	169.4	0	0	0	114.7	L470 E473 L474 R675 D679 M680 A681 V713 T714 F717	L470-L677 HydrophobicContact CD1-CD1 3.74Å; L470-L677 HydrophobicContact CD1-CD2 3.8Å; L470-L677 HydrophobicContact CD1-CG 4.42Å; E473-L677 HydrophobicContact CB-CD1 3.57Å; E473-L677 HydrophobicContact CG-CD1 4.45Å; E473-L677 VanDerWaalsContact OE2-CD1 3.27Å; E473-L677 WeakPolarHBondContact OE2-CD1 3.48Å; L474-L677 HydrophobicContact CD2-CB 3.91Å; L474-L677 HydrophobicContact CG-CB 4.09Å; L474-L677 HydrophobicContact CG-CD1 4.4Å; R675-L677 PolarHBondContact O-N 3.25Å; L677-D679 VanDerWaalsContact C-N 3.35Å; L677-D679 PolarHBondContact O-N 3.46Å; L677-M680 HydrophobicContact CD2-SD 4.12Å; L677-M680 PolarHBondContact O-N 3.49Å; L677-A681 WeakPolarHBondContact O-CB 3.44Å; L677-A681 PolarHBondContact O-N 3.17Å; L677-V713 HydrophobicContact CD1-CG1 3.88Å; L677-T714 HydrophobicContact CD2-CG2 4.01Å; L677-T714 HydrophobicContact CG-CG2 4.25Å; L677-F717 HydrophobicContact CD2-CB 3.52Å; L677-F717 HydrophobicContact CD2-CD1 4.13Å; L677-F717 HydrophobicContact CD2-CD2 4.26Å; L677-F717 HydrophobicContact CD2-CG 3.71Å
678	P	95.2	Very high	95	Very high	48 Å²	48	19.6 Å²	19.6	31%	0.312	11%	0.111	S	C	.	.	H	α-helix	trans	-61.1	-41.8	175.3	-25	36.4	0	0	0	112.7	V478 S676 A681 E682	V478-P678 HydrophobicContact CG1-CB 3.88Å; V478-P678 HydrophobicContact CG1-CG 4.22Å; S676-P678 VanDerWaalsContact C-CD 3.47Å; P678-A681 PolarHBondContact O-N 3.04Å; P678-E682 WeakPolarHBondContact O-CB 3.41Å; P678-E682 PolarHBondContact O-N 3.36Å
679	D	95.5	Very high	95	Very high	27 Å²	27	26 Å²	26	14%	0.144	14%	0.141	C	C	.	.	H	α-helix	trans	-74.1	-31.4	-179.1	-61	-34.4	0	0	0	112	K529 Q667 A671 S676 L677 A683	K529-D679 WeakPolarHBondContact CE-OD1 3.36Å; K529-D679 IonicContact NZ-OD1 3.06Å; K529-D679 PolarHBondContact NZ-OD1 3.37Å; K529-D679 IonicContact NZ-OD2 2.66Å; Q667-D679 PolarHBondContact NE2-O 3.5Å; A671-D679 HydrophobicContact CB-CB 3.79Å; S676-D679 WeakPolarHBondContact CB-OD2 3.07Å; S676-D679 PolarHBondContact O-N 3.29Å; S676-D679 VanDerWaalsContact O-N 3.16Å; S676-D679 WeakPolarHBondContact OG-CB 3.42Å; S676-D679 PolarHBondContact OG-OD2 3.08Å; L677-D679 VanDerWaalsContact C-N 3.35Å; L677-D679 PolarHBondContact O-N 3.46Å; D679-A683 WeakPolarHBondContact O-CB 3.49Å; D679-A683 PolarHBondContact O-N 2.88Å
680	M	97	Very high	94.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-43.7	169.1	-64	167	78.3	0	0	111	L668 A671 S672 S676 L677 A683 L684 T714 F717 L718	L668-M680 HydrophobicContact CD1-CB 3.76Å; L668-M680 HydrophobicContact CD1-CG 4.02Å; A671-M680 HydrophobicContact CB-CG 3.68Å; S672-M680 WeakPolarHBondContact OG-CE 3.34Å; S676-M680 VanDerWaalsContact O-CG 3.27Å; S676-M680 WeakPolarHBondContact O-CG 3.3Å; S676-M680 PolarHBondContact O-N 2.83Å; L677-M680 HydrophobicContact CD2-SD 4.12Å; L677-M680 PolarHBondContact O-N 3.49Å; M680-A683 PolarHBondContact O-N 2.85Å; M680-L684 WeakPolarHBondContact O-CG 3.13Å; M680-L684 PolarHBondContact O-N 3.03Å; M680-T714 HydrophobicContact CE-CG2 4.32Å; M680-T714 HydrophobicContact SD-CG2 3.62Å; M680-F717 HydrophobicContact CB-CD1 4.15Å; M680-F717 HydrophobicContact CB-CE1 3.76Å; M680-F717 HydrophobicContact CE-CD1 3.74Å; M680-F717 HydrophobicContact CE-CE1 4.44Å; M680-F717 HydrophobicContact SD-CD1 4.4Å; M680-L718 HydrophobicContact CE-CD1 3.89Å; M680-L718 HydrophobicContact CE-CD2 3.77Å; M680-L718 HydrophobicContact CE-CG 3.57Å
681	A	96.5	Very high	94.9	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.033	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-37.1	177.3	0	0	0	0	0	112.6	I479 I482 L677 P678 A685 F717	I479-A681 HydrophobicContact CD1-CB 4.06Å; I482-A681 HydrophobicContact CD1-CB 4.02Å; L677-A681 WeakPolarHBondContact O-CB 3.44Å; L677-A681 PolarHBondContact O-N 3.17Å; P678-A681 PolarHBondContact O-N 3.04Å; A681-A685 WeakPolarHBondContact O-CB 3.4Å; A681-A685 PolarHBondContact O-N 3.06Å; A681-F717 HydrophobicContact CB-CZ 4.1Å
682	E	95.9	Very high	94.9	Very high	43 Å²	43	32.8 Å²	32.8	20%	0.201	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-50	172	-177.2	-176.8	-149.9	0	0	110.9	I482 K529 Q667 P678 L684 A685 H686	I482-E682 HydrophobicContact CD1-CB 4.21Å; I482-E682 HydrophobicContact CG1-CB 4.37Å; K529-E682 IonicContact NZ-OE2 2.65Å; Q667-E682 PolarHBondContact NE2-OE2 2.87Å; Q667-E682 VanDerWaalsContact NE2-OE2 3.12Å; P678-E682 WeakPolarHBondContact O-CB 3.41Å; P678-E682 PolarHBondContact O-N 3.36Å; E682-L684 VanDerWaalsContact C-N 3.33Å; E682-L684 PolarHBondContact O-N 3.37Å; E682-A685 WeakPolarHBondContact O-CA 3.35Å; E682-A685 WeakPolarHBondContact O-CB 3.46Å; E682-A685 PolarHBondContact O-N 2.91Å; E682-A685 VanDerWaalsContact O-N 3.07Å; E682-H686 WeakPolarHBondContact CG-CE1 3.41Å; E682-H686 PolarHBondContact O-CD2 3.01Å; E682-H686 PolarHBondContact O-N 3.41Å; E682-H686 IonicContact OE1-CE1 3.62Å; E682-H686 PolarHBondContact OE1-CE1 3.46Å
683	A	96.1	Very high	94.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-45.1	177.1	0	0	0	0	0	112	Q667 L668 D679 M680 A685 H686 G687 A688	Q667-A683 HydrophobicContact CB-CB 4.11Å; Q667-A683 HydrophobicContact CG-CB 3.93Å; L668-A683 HydrophobicContact CB-CB 3.88Å; L668-A683 HydrophobicContact CD1-CB 4.42Å; D679-A683 WeakPolarHBondContact O-CB 3.49Å; D679-A683 PolarHBondContact O-N 2.88Å; M680-A683 PolarHBondContact O-N 2.85Å; A683-A685 VanDerWaalsContact C-N 3.35Å; A683-A685 PolarHBondContact O-N 2.74Å; A683-H686 PolarHBondContact O-N 2.86Å; A683-G687 PolarHBondContact O-N 3.29Å; A683-A688 HydrophobicContact CB-CB 4.03Å; A683-A688 WeakPolarHBondContact O-CB 3.45Å; A683-A688 PolarHBondContact O-N 3.23Å
684	L	95.9	Very high	94.5	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-40.7	174.8	-70.8	-178.3	0	0	0	112	R515 L668 M680 E682 H686 G687 A688 V690 F717 N721	R515-L684 VanDerWaalsContact CZ-O 3.28Å; R515-L684 PolarHBondContact NH1-O 2.95Å; R515-L684 PolarHBondContact NH2-O 3.26Å; L668-L684 HydrophobicContact CD1-CD2 4.42Å; L668-L684 HydrophobicContact CD1-CG 4.3Å; L668-L684 HydrophobicContact CD2-CD2 3.76Å; M680-L684 WeakPolarHBondContact O-CG 3.13Å; M680-L684 PolarHBondContact O-N 3.03Å; E682-L684 VanDerWaalsContact C-N 3.33Å; E682-L684 PolarHBondContact O-N 3.37Å; L684-H686 VanDerWaalsContact C-N 3.32Å; L684-H686 PolarHBondContact O-N 2.97Å; L684-G687 PolarHBondContact O-N 3.2Å; L684-G687 VanDerWaalsContact O-N 3.15Å; L684-A688 HydrophobicContact CD2-CB 4.38Å; L684-V690 HydrophobicContact CD2-CG2 3.6Å; L684-F717 HydrophobicContact CD1-CE1 3.61Å; L684-F717 HydrophobicContact CD1-CZ 3.77Å; L684-N721 HydrophobicContact CD1-CB 4.1Å
685	A	95.4	Very high	94.2	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.033	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-38.3	174.3	0	0	0	0	0	112.1	I482 Y483 R515 V518 A681 E682 A683 G687	I482-A685 HydrophobicContact CG2-CB 3.46Å; I482-A685 VanDerWaalsContact CG2-CB 3.46Å; Y483-A685 HydrophobicContact CD2-CB 4.38Å; Y483-A685 HydrophobicContact CE1-CB 4Å; Y483-A685 HydrophobicContact CE2-CB 3.74Å; R515-A685 WeakPolarHBondContact CD-O 3.49Å; R515-A685 PolarHBondContact NH1-O 3.43Å; V518-A685 HydrophobicContact CG1-CB 4.15Å; V518-A685 HydrophobicContact CG2-CB 4.19Å; A681-A685 WeakPolarHBondContact O-CB 3.4Å; A681-A685 PolarHBondContact O-N 3.06Å; E682-A685 WeakPolarHBondContact O-CA 3.35Å; E682-A685 WeakPolarHBondContact O-CB 3.46Å; E682-A685 PolarHBondContact O-N 2.91Å; E682-A685 VanDerWaalsContact O-N 3.07Å; A683-A685 VanDerWaalsContact C-N 3.35Å; A683-A685 PolarHBondContact O-N 2.74Å; A685-G687 PolarHBondContact O-N 2.99Å
686	H	94.4	Very high	93.7	Very high	39 Å²	39	38.8 Å²	38.8	18%	0.181	22%	0.217	C	C	.	.	H	α-helix	trans	-72.3	-7.1	176.4	-63.9	171.8	0	0	0	114.2	R519 P664 E682 A683 L684	R519-H686 PolarHBondContact O-NE2 2.97Å; R519-H686 VanDerWaalsContact O-NE2 3.12Å; P664-H686 HydrophobicContact CB-CB 4.1Å; P664-H686 HydrophobicContact CG-CB 4.02Å; E682-H686 WeakPolarHBondContact CG-CE1 3.41Å; E682-H686 PolarHBondContact O-CD2 3.01Å; E682-H686 PolarHBondContact O-N 3.41Å; E682-H686 IonicContact OE1-CE1 3.62Å; E682-H686 PolarHBondContact OE1-CE1 3.46Å; A683-H686 PolarHBondContact O-N 2.86Å; L684-H686 VanDerWaalsContact C-N 3.32Å; L684-H686 PolarHBondContact O-N 2.97Å
687	G	92.7	Very high	93.1	Very high	44 Å²	44	39.7 Å²	39.7	45%	0.454	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.1	16.9	175.9	0	0	0	0	0	114.6	A683 L684 A685 E689	A683-G687 PolarHBondContact O-N 3.29Å; L684-G687 PolarHBondContact O-N 3.2Å; L684-G687 VanDerWaalsContact O-N 3.15Å; A685-G687 PolarHBondContact O-N 2.99Å; G687-E689 PolarHBondContact O-N 2.94Å
688	A	94.8	Very high	92.6	Very high	10 Å²	10	42.6 Å²	42.6	8%	0.083	23%	0.234	C	C	.	.			trans	-56.9	130	172.3	0	0	0	0	0	111.2	P664 L668 A683 L684	P664-A688 VanDerWaalsContact C-CB 3.46Å; P664-A688 HydrophobicContact CB-CB 3.81Å; P664-A688 VanDerWaalsContact O-CB 3.26Å; P664-A688 WeakPolarHBondContact O-CB 3.41Å; L668-A688 HydrophobicContact CB-CB 3.96Å; L668-A688 HydrophobicContact CD2-CB 3.99Å; A683-A688 HydrophobicContact CB-CB 4.03Å; A683-A688 WeakPolarHBondContact O-CB 3.45Å; A683-A688 PolarHBondContact O-N 3.23Å; L684-A688 HydrophobicContact CD2-CB 4.38Å
689	E	94.4	Very high	92.3	Very high	135 Å²	135	45.8 Å²	45.8	63%	0.631	24%	0.243	S	C	*	.			trans	-72.9	127.5	170.9	-65.3	-178.5	175.6	0	0	109.5	G687 N691 W692	G687-E689 PolarHBondContact O-N 2.94Å; E689-N691 PolarHBondContact O-N 2.89Å; E689-W692 HydrophobicContact CB-CB 4.19Å; E689-W692 WeakPolarHBondContact O-CB 3.16Å; E689-W692 PolarHBondContact O-N 3.39Å; E689-W692 VanDerWaalsContact O-N 3.1Å
690	V	93.1	Very high	92.2	Very high	26 Å²	26	46.8 Å²	46.8	16%	0.158	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-31.5	-177.8	-174.7	0	0	0	0	111.5	L684 L718 N721 V723	L684-V690 HydrophobicContact CD2-CG2 3.6Å; V690-L718 HydrophobicContact CG1-CD2 4.34Å; V690-N721 HydrophobicContact CG1-CB 4.38Å; V690-N721 HydrophobicContact CG2-CB 4.17Å; V690-N721 WeakPolarHBondContact CG2-O 3.38Å; V690-V723 HydrophobicContact CG1-CB 3.57Å; V690-V723 HydrophobicContact CG1-CG2 3.97Å
691	N	93.9	Very high	92.1	Very high	62 Å²	62	46.8 Å²	46.8	33%	0.332	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	20.4	179	-65.8	-47.1	0	0	0	113.2	E689 V723 N724 Q727	E689-N691 PolarHBondContact O-N 2.89Å; N691-V723 VanDerWaalsContact OD1-CA 3.32Å; N691-V723 WeakPolarHBondContact OD1-CA 3.44Å; N691-V723 WeakPolarHBondContact OD1-CG2 3.39Å; N691-N724 PolarHBondContact OD1-N 3.37Å; N691-Q727 PolarHBondContact O-NE2 3.17Å; N691-Q727 VanDerWaalsContact O-NE2 3.1Å; N691-Q727 PolarHBondContact OD1-OE1 3.1Å
692	W	95.3	Very high	92.1	Very high	56 Å²	56	46.6 Å²	46.6	21%	0.212	24%	0.243	C	C	.	.			trans	-55.8	149.6	179.2	-173	79.5	0	0	0	111.9	L666 Y669 E689 N694 P702	L666-W692 HydrophobicContact CB-CH2 4.02Å; L666-W692 HydrophobicContact CB-CZ2 4.43Å; L666-W692 HydrophobicContact CB-CZ3 4.39Å; L666-W692 HydrophobicContact CD1-CH2 3.87Å; L666-W692 HydrophobicContact CD1-CZ3 4.15Å; Y669-W692 HydrophobicContact CD2-CE3 4.32Å; Y669-W692 AromaticContact CD2-CZ3 3.99Å; Y669-W692 HydrophobicContact CD2-CZ3 3.99Å; Y669-W692 HydrophobicContact CG-CZ3 4.02Å; E689-W692 HydrophobicContact CB-CB 4.19Å; E689-W692 WeakPolarHBondContact O-CB 3.16Å; E689-W692 PolarHBondContact O-N 3.39Å; E689-W692 VanDerWaalsContact O-N 3.1Å; W692-N694 HydrophobicContact CH2-CB 3.85Å; W692-N694 HydrophobicContact CZ3-CB 3.63Å; W692-P702 WeakPolarHBondContact O-CD 3.43Å
693	V	92.4	Very high	92.1	Very high	45 Å²	45	44.6 Å²	44.6	27%	0.273	23%	0.233	S	C	.	.			trans	-125.8	121.5	-172.8	175.7	0	0	0	0	109.8	T695 K699 T701	V693-T695 PolarHBondContact O-N 3.34Å; V693-T695 VanDerWaalsContact O-N 3.09Å; V693-K699 HydrophobicContact CG1-CB 3.59Å; V693-K699 HydrophobicContact CG1-CG 4.05Å; V693-T701 HydrophobicContact CG2-CG2 4.42Å
694	N	90.4	Very high	92.1	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-76.9	96	173.1	-168.2	-13.1	0	0	0	110.6	Y669 W692 E696 E697 K699 R700	Y669-N694 HydrophobicContact CD2-CB 4.05Å; Y669-N694 HydrophobicContact CE1-CB 4.45Å; Y669-N694 HydrophobicContact CE2-CB 3.57Å; W692-N694 HydrophobicContact CH2-CB 3.85Å; W692-N694 HydrophobicContact CZ3-CB 3.63Å; N694-E696 PolarHBondContact O-N 3.26Å; N694-E696 PolarHBondContact OD1-N 2.98Å; N694-E697 HydrophobicContact CB-CB 4.33Å; N694-E697 PolarHBondContact ND2-OE2 3.34Å; N694-E697 CarbonylContact O-C 3.45Å; N694-E697 PolarHBondContact O-N 3.45Å; N694-E697 PolarHBondContact OD1-N 3.01Å; N694-K699 WeakPolarHBondContact O-CA 3.09Å; N694-K699 PolarHBondContact O-N 3.33Å; N694-R700 PolarHBondContact N-O 2.95Å
695	T	86.6	Confident	92	Very high	115 Å²	115	44 Å²	44	71%	0.706	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.6	178	59.7	0	0	0	0	114.5	V693	V693-T695 PolarHBondContact O-N 3.34Å; V693-T695 VanDerWaalsContact O-N 3.09Å
696	E	82.1	Confident	92	Very high	106 Å²	106	43.9 Å²	43.9	50%	0.495	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-24.9	176.8	-56.1	-168.7	142.5	0	0	111.9	N694	N694-E696 PolarHBondContact O-N 3.26Å; N694-E696 PolarHBondContact OD1-N 2.98Å
697	E	82.1	Confident	92.1	Very high	46 Å²	46	42 Å²	42	22%	0.215	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	86.7	179.2	-66.3	177.6	-170.8	0	0	112.2	Y669 W670 N694 K699 R700	Y669-E697 WeakPolarHBondContact CE1-OE2 3.02Å; Y669-E697 VanDerWaalsContact CZ-OE2 3.25Å; Y669-E697 PolarHBondContact OH-OE2 3.18Å; W670-E697 VanDerWaalsContact CZ2-OE1 3.3Å; W670-E697 WeakPolarHBondContact CZ2-OE1 3.37Å; N694-E697 HydrophobicContact CB-CB 4.33Å; N694-E697 PolarHBondContact ND2-OE2 3.34Å; N694-E697 CarbonylContact O-C 3.45Å; N694-E697 PolarHBondContact O-N 3.45Å; N694-E697 PolarHBondContact OD1-N 3.01Å; E697-K699 PolarHBondContact O-N 3.28Å; E697-R700 WeakPolarHBondContact O-CG 3.17Å; E697-R700 PolarHBondContact O-N 3Å
698	D	84.8	Confident	92.1	Very high	65 Å²	65	42.7 Å²	42.7	35%	0.348	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	20.7	171.6	-69.4	-41.2	0	0	0	115.4	R700 D729 A730 Q731	D698-R700 HydrophobicContact CB-CG 4.07Å; D698-R700 PolarHBondContact O-N 2.96Å; D698-R700 IonicContact OD2-CZ 3.88Å; D698-R700 IonicContact OD2-NE 3.83Å; D698-R700 IonicContact OD2-NH2 2.64Å; D698-R700 PolarHBondContact OD2-NH2 3.5Å; D698-D729 WeakPolarHBondContact O-CB 3.36Å; D698-A730 HydrophobicContact CB-CB 4.48Å; D698-A730 WeakPolarHBondContact O-CB 3.32Å; D698-A730 PolarHBondContact O-N 2.99Å; D698-Q731 PolarHBondContact OD1-NE2 3.42Å
699	K	89.7	Confident	91.8	Very high	115 Å²	115	42.3 Å²	42.3	50%	0.5	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	30.4	-172	-59.7	179.3	179.6	176.8	0	113.6	V693 N694 E697 A730	V693-K699 HydrophobicContact CG1-CB 3.59Å; V693-K699 HydrophobicContact CG1-CG 4.05Å; N694-K699 WeakPolarHBondContact O-CA 3.09Å; N694-K699 PolarHBondContact O-N 3.33Å; E697-K699 PolarHBondContact O-N 3.28Å; K699-A730 HydrophobicContact CB-CB 4.29Å; K699-A730 HydrophobicContact CD-CB 4.32Å; K699-A730 HydrophobicContact CG-CB 4.27Å
700	R	92.1	Very high	91.5	Very high	49 Å²	49	37.3 Å²	37.3	19%	0.185	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-67.2	152.5	176.8	-66.5	177.5	-165.7	-172.9	10.4	111.3	Y669 N694 E697 D698 I704 D729	Y669-R700 HydrophobicContact CE2-CB 3.8Å; N694-R700 PolarHBondContact N-O 2.95Å; E697-R700 WeakPolarHBondContact O-CG 3.17Å; E697-R700 PolarHBondContact O-N 3Å; D698-R700 HydrophobicContact CB-CG 4.07Å; D698-R700 PolarHBondContact O-N 2.96Å; D698-R700 IonicContact OD2-CZ 3.88Å; D698-R700 IonicContact OD2-NE 3.83Å; D698-R700 IonicContact OD2-NH2 2.64Å; D698-R700 PolarHBondContact OD2-NH2 3.5Å; R700-I704 HydrophobicContact CB-CB 4.49Å; R700-I704 HydrophobicContact CB-CG2 4.24Å; R700-I704 HydrophobicContact CG-CG2 4.09Å; R700-D729 HydrophobicContact CG-CB 4.46Å
701	T	95	Very high	91.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.			trans	-107.4	162.4	178.3	64.8	0	0	0	0	111.2	V693 L703 I704 M705 Q727	V693-T701 HydrophobicContact CG2-CG2 4.42Å; T701-L703 PolarHBondContact O-N 3.29Å; T701-I704 PolarHBondContact O-N 3.16Å; T701-I704 PolarHBondContact OG1-N 2.96Å; T701-M705 PolarHBondContact O-N 3.24Å; T701-Q727 HydrophobicContact CG2-CB 4.22Å; T701-Q727 VanDerWaalsContact CG2-CD 3.48Å; T701-Q727 HydrophobicContact CG2-CG 3.74Å
702	P	96.1	Very high	91.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-51.5	-35.1	169.9	-29.3	35	0	0	0	114	L668 S672 W692 M705 A706 L718	L668-P702 HydrophobicContact CD2-CB 4.28Å; L668-P702 HydrophobicContact CD2-CG 4.03Å; L668-P702 HydrophobicContact CG-CB 4.01Å; L668-P702 HydrophobicContact CG-CG 4.02Å; S672-P702 WeakPolarHBondContact CB-O 3.31Å; S672-P702 PolarHBondContact OG-O 3.26Å; W692-P702 WeakPolarHBondContact O-CD 3.43Å; P702-M705 PolarHBondContact O-N 3.19Å; P702-A706 PolarHBondContact O-N 3.49Å; P702-L718 HydrophobicContact CB-CD1 4.16Å; P702-L718 HydrophobicContact CB-CD2 4.33Å
703	L	96.9	Very high	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.1	-40.6	176.4	-177.1	61.9	0	0	0	112.2	T701 M705 A706 V707 C715 L718 V723 V725 P735 F751	T701-L703 PolarHBondContact O-N 3.29Å; L703-M705 VanDerWaalsContact C-N 3.28Å; L703-M705 PolarHBondContact O-N 2.66Å; L703-A706 WeakPolarHBondContact O-CB 3.5Å; L703-A706 PolarHBondContact O-N 3.06Å; L703-V707 WeakPolarHBondContact O-CG2 3.12Å; L703-V707 PolarHBondContact O-N 2.99Å; L703-V707 VanDerWaalsContact O-N 3.11Å; L703-C715 HydrophobicContact CD1-CB 4.11Å; L703-L718 HydrophobicContact CB-CD1 4.21Å; L703-L718 HydrophobicContact CD1-CB 4.37Å; L703-L718 HydrophobicContact CD1-CD1 4.19Å; L703-V723 HydrophobicContact CB-CG1 4.24Å; L703-V723 HydrophobicContact CB-CG2 3.88Å; L703-V723 HydrophobicContact CD1-CG1 4.33Å; L703-V723 HydrophobicContact CD2-CG1 3.64Å; L703-V723 HydrophobicContact CD2-CG2 4.44Å; L703-V723 HydrophobicContact CG-CG1 4.28Å; L703-V725 HydrophobicContact CD2-CG2 4.46Å; L703-P735 HydrophobicContact CB-CG 4.42Å; L703-P735 HydrophobicContact CD2-CB 3.92Å; L703-P735 HydrophobicContact CD2-CG 3.55Å; L703-P735 HydrophobicContact CG-CB 4.07Å; L703-P735 HydrophobicContact CG-CG 3.87Å; L703-F751 HydrophobicContact CD1-CE1 3.87Å; L703-F751 HydrophobicContact CD1-CZ 4Å; L703-F751 HydrophobicContact CD2-CE1 4.18Å; L703-F751 HydrophobicContact CG-CE1 4.33Å; L703-F751 HydrophobicContact CG-CZ 4.3Å
704	I	95.5	Very high	91.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-40	172.7	-67.1	172.1	0	0	0	109.8	R700 T701 A706 V707 H708 D729 P735	R700-I704 HydrophobicContact CB-CB 4.49Å; R700-I704 HydrophobicContact CB-CG2 4.24Å; R700-I704 HydrophobicContact CG-CG2 4.09Å; T701-I704 PolarHBondContact O-N 3.16Å; T701-I704 PolarHBondContact OG1-N 2.96Å; I704-A706 PolarHBondContact O-N 2.91Å; I704-V707 WeakPolarHBondContact O-CA 3.35Å; I704-V707 VanDerWaalsContact O-CB 3.31Å; I704-V707 WeakPolarHBondContact O-CB 3.35Å; I704-V707 PolarHBondContact O-N 3.31Å; I704-V707 VanDerWaalsContact O-N 3.1Å; I704-H708 PolarHBondContact O-CD2 2.94Å; I704-H708 PolarHBondContact O-N 3.05Å; I704-D729 HydrophobicContact CD1-CB 4.11Å; I704-P735 HydrophobicContact CG1-CG 4.03Å
705	M	94.6	Very high	91.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-69.2	-31.1	176.3	-65.7	-50.4	-81.3	0	0	113.9	Y669 W670 F673 T701 P702 L703 V707 H708 G709	Y669-M705 HydrophobicContact CD1-CG 4.05Å; Y669-M705 HydrophobicContact CD2-CG 3.59Å; Y669-M705 HydrophobicContact CE1-CE 3.78Å; Y669-M705 HydrophobicContact CE1-CG 3.74Å; Y669-M705 HydrophobicContact CE1-SD 4.1Å; Y669-M705 HydrophobicContact CE2-CG 3.22Å; Y669-M705 HydrophobicContact CE2-SD 4.03Å; Y669-M705 HydrophobicContact CG-CG 3.99Å; Y669-M705 VanDerWaalsContact CZ-SD 3.59Å; Y669-M705 PolarHBondContact OH-SD 3.24Å; W670-M705 HydrophobicContact CE3-CE 4.48Å; W670-M705 HydrophobicContact CH2-CE 4.45Å; W670-M705 HydrophobicContact CZ3-CE 4Å; F673-M705 WeakPolarHBondContact CA-O 3.47Å; F673-M705 HydrophobicContact CB-CB 4.24Å; F673-M705 HydrophobicContact CB-CE 4.22Å; F673-M705 HydrophobicContact CD2-CE 3.82Å; F673-M705 HydrophobicContact CG-CE 4.28Å; T701-M705 PolarHBondContact O-N 3.24Å; P702-M705 PolarHBondContact O-N 3.19Å; L703-M705 VanDerWaalsContact C-N 3.28Å; L703-M705 PolarHBondContact O-N 2.66Å; M705-V707 VanDerWaalsContact C-N 3.27Å; M705-V707 PolarHBondContact O-N 3.23Å; M705-H708 PolarHBondContact O-N 3.46Å; M705-G709 PolarHBondContact O-N 2.92Å
706	A	95.5	Very high	91.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-30.9	169	0	0	0	0	0	112.8	P702 L703 I704 G710 S711 T714 L718 Q747	P702-A706 PolarHBondContact O-N 3.49Å; L703-A706 WeakPolarHBondContact O-CB 3.5Å; L703-A706 PolarHBondContact O-N 3.06Å; I704-A706 PolarHBondContact O-N 2.91Å; A706-G710 PolarHBondContact O-N 3.44Å; A706-G710 VanDerWaalsContact O-N 3.07Å; A706-S711 PolarHBondContact O-N 3.04Å; A706-T714 WeakPolarHBondContact CB-OG1 3.49Å; A706-L718 HydrophobicContact CB-CD1 4.02Å; A706-Q747 PolarHBondContact O-NE2 3.41Å
707	V	95.5	Very high	92.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.9	-49.3	173.9	172	0	0	0	0	111.5	L703 I704 M705 G709 G710 P735 H738 A739 L742 H744 Q747 F751	L703-V707 WeakPolarHBondContact O-CG2 3.12Å; L703-V707 PolarHBondContact O-N 2.99Å; L703-V707 VanDerWaalsContact O-N 3.11Å; I704-V707 WeakPolarHBondContact O-CA 3.35Å; I704-V707 VanDerWaalsContact O-CB 3.31Å; I704-V707 WeakPolarHBondContact O-CB 3.35Å; I704-V707 PolarHBondContact O-N 3.31Å; I704-V707 VanDerWaalsContact O-N 3.1Å; M705-V707 VanDerWaalsContact C-N 3.27Å; M705-V707 PolarHBondContact O-N 3.23Å; V707-G709 VanDerWaalsContact C-N 3.28Å; V707-G709 PolarHBondContact O-N 3.15Å; V707-G710 WeakPolarHBondContact O-CA 3.29Å; V707-G710 PolarHBondContact O-N 3.24Å; V707-P735 HydrophobicContact CG2-CB 4.36Å; V707-H738 HydrophobicContact CG1-CB 3.73Å; V707-A739 HydrophobicContact CG1-CB 3.92Å; V707-L742 HydrophobicContact CG1-CD1 4.15Å; V707-H744 PolarHBondContact O-CE1 3.27Å; V707-H744 PolarHBondContact O-ND1 3.03Å; V707-Q747 PolarHBondContact O-OE1 3.04Å; V707-F751 HydrophobicContact CG2-CE2 3.36Å; V707-F751 HydrophobicContact CG2-CZ 3.37Å
708	H	92.5	Very high	93.3	Very high	58 Å²	58	17.8 Å²	17.8	27%	0.269	9%	0.093	S	C	.	.	H	α-helix	trans	-61	-37.6	172.7	-79.9	-89.5	0	0	0	112.1	F673 I704 M705 G710 H738	F673-H708 HydrophobicContact CD2-CB 3.99Å; F673-H708 HydrophobicContact CE2-CB 3.97Å; I704-H708 PolarHBondContact O-CD2 2.94Å; I704-H708 PolarHBondContact O-N 3.05Å; M705-H708 PolarHBondContact O-N 3.46Å; H708-G710 PolarHBondContact O-N 3.03Å; H708-H738 AromaticContact CD2-ND1 3.94Å; H708-H738 AromaticContact CE1-ND1 3.83Å; H708-H738 AromaticContact NE2-CE1 3.66Å; H708-H738 AromaticContact NE2-CG 3.79Å; H708-H738 AromaticContact NE2-ND1 2.96Å; H708-H738 PolarHBondContact NE2-ND1 3.48Å
709	G	88.5	Confident	93.8	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.9	170.2	0	0	0	0	0	113.7	F673 R675 M705 V707 S711	F673-G709 WeakPolarHBondContact O-CA 3.47Å; R675-G709 PolarHBondContact NE-O 3.42Å; R675-G709 PolarHBondContact NH2-O 2.81Å; M705-G709 PolarHBondContact O-N 2.92Å; V707-G709 VanDerWaalsContact C-N 3.28Å; V707-G709 PolarHBondContact O-N 3.15Å; G709-S711 VanDerWaalsContact C-N 3.27Å; G709-S711 PolarHBondContact O-N 3.35Å
710	G	88.8	Confident	94.1	Very high	31 Å²	31	10.6 Å²	10.6	32%	0.32	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	13.6	176.5	0	0	0	0	0	115.8	A706 V707 H708	A706-G710 PolarHBondContact O-N 3.44Å; A706-G710 VanDerWaalsContact O-N 3.07Å; V707-G710 WeakPolarHBondContact O-CA 3.29Å; V707-G710 PolarHBondContact O-N 3.24Å; H708-G710 PolarHBondContact O-N 3.03Å
711	S	89.2	Confident	94.3	Very high	18 Å²	18	9.8 Å²	9.8	13%	0.126	6%	0.059	C	C	.	.			trans	-94.5	118	177.4	174.9	0	0	0	0	111.6	A706 G709 V713 T714 C715 Q747	A706-S711 PolarHBondContact O-N 3.04Å; G709-S711 VanDerWaalsContact C-N 3.27Å; G709-S711 PolarHBondContact O-N 3.35Å; S711-V713 VanDerWaalsContact C-N 3.27Å; S711-V713 PolarHBondContact O-N 3.05Å; S711-V713 PolarHBondContact OG-N 2.81Å; S711-T714 WeakPolarHBondContact CB-OG1 3.4Å; S711-T714 PolarHBondContact O-OG1 3.45Å; S711-T714 PolarHBondContact OG-N 3.03Å; S711-C715 PolarHBondContact O-N 2.93Å; S711-C715 PolarHBondContact O-SG 3.06Å; S711-Q747 PolarHBondContact O-NE2 3.04Å
712	L	91.2	Very high	94.2	Very high	23 Å²	23	12.9 Å²	12.9	12%	0.12	8%	0.084	C	C	.	.	H	α-helix	trans	-65	-33.3	174.9	-167.7	63	0	0	0	111.7	E466 C715 E716 G746 Q747 L750 A819	E466-L712 HydrophobicContact CG-CD2 3.53Å; E466-L712 HydrophobicContact CG-CG 3.74Å; L712-C715 WeakPolarHBondContact O-CB 3.41Å; L712-E716 PolarHBondContact O-N 3.3Å; L712-G746 WeakPolarHBondContact CD1-O 3.48Å; L712-Q747 HydrophobicContact CD1-CG 4.04Å; L712-L750 HydrophobicContact CD1-CB 3.91Å; L712-L750 HydrophobicContact CD1-CD2 3.66Å; L712-L750 HydrophobicContact CD1-CG 4.42Å; L712-L750 HydrophobicContact CG-CD2 4.34Å; L712-A819 HydrophobicContact CD2-CB 3.85Å
713	V	93.2	Very high	94.1	Very high	8 Å²	8	13.4 Å²	13.4	5%	0.048	9%	0.088	C	C	.	.	H	α-helix	trans	-76	-36.2	-176.1	-169.1	0	0	0	0	111.6	K469 L470 L677 S711 E716 F717	K469-V713 HydrophobicContact CB-CG2 3.94Å; K469-V713 HydrophobicContact CD-CG2 4.08Å; L470-V713 HydrophobicContact CB-CG1 3.77Å; L470-V713 HydrophobicContact CD1-CG1 3.99Å; L470-V713 HydrophobicContact CG-CG1 4.5Å; L677-V713 HydrophobicContact CD1-CG1 3.88Å; S711-V713 VanDerWaalsContact C-N 3.27Å; S711-V713 PolarHBondContact O-N 3.05Å; S711-V713 PolarHBondContact OG-N 2.81Å; V713-E716 PolarHBondContact O-N 3.03Å; V713-F717 PolarHBondContact O-N 3.49Å
714	T	95.4	Very high	94	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-70.8	-35.3	173.5	58.5	0	0	0	0	112.4	R675 L677 M680 A706 S711 F717 L718	R675-T714 HydrophobicContact CB-CG2 4.33Å; L677-T714 HydrophobicContact CD2-CG2 4.01Å; L677-T714 HydrophobicContact CG-CG2 4.25Å; M680-T714 HydrophobicContact CE-CG2 4.32Å; M680-T714 HydrophobicContact SD-CG2 3.62Å; A706-T714 WeakPolarHBondContact CB-OG1 3.49Å; S711-T714 WeakPolarHBondContact CB-OG1 3.4Å; S711-T714 PolarHBondContact O-OG1 3.45Å; S711-T714 PolarHBondContact OG-N 3.03Å; T714-F717 PolarHBondContact O-N 2.86Å; T714-L718 WeakPolarHBondContact O-CG 3.35Å; T714-L718 PolarHBondContact O-N 3.49Å; T714-L718 VanDerWaalsContact O-N 3.16Å
715	C	95.8	Very high	94	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.3	-50	169.1	-65	0	0	0	0	110.7	L703 S711 L712 F717 L718 L719 Q747 L750 F751	L703-C715 HydrophobicContact CD1-CB 4.11Å; S711-C715 PolarHBondContact O-N 2.93Å; S711-C715 PolarHBondContact O-SG 3.06Å; L712-C715 WeakPolarHBondContact O-CB 3.41Å; C715-F717 PolarHBondContact O-N 3.23Å; C715-L718 PolarHBondContact O-N 3.36Å; C715-L719 WeakPolarHBondContact O-CB 3.47Å; C715-L719 WeakPolarHBondContact O-CD1 3.32Å; C715-L719 VanDerWaalsContact O-CG 3.26Å; C715-L719 WeakPolarHBondContact O-CG 3.4Å; C715-L719 PolarHBondContact O-N 3.08Å; C715-Q747 PolarHBondContact SG-NE2 3.42Å; C715-L750 HydrophobicContact CB-CD2 3.93Å; C715-F751 HydrophobicContact CB-CE1 4.1Å; C715-F751 HydrophobicContact CB-CZ 4.26Å
716	E	95.3	Very high	94.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-40.1	178.2	179	55.7	-162.1	0	0	112.5	E466 L467 L470 L712 V713 L718 L719 Q720 L750 R754	E466-E716 HydrophobicContact CB-CB 4.34Å; E466-E716 HydrophobicContact CB-CG 4.18Å; L467-E716 HydrophobicContact CD1-CG 4.34Å; L467-E716 WeakPolarHBondContact CD1-OE1 3.37Å; L470-E716 HydrophobicContact CD2-CG 4.22Å; L712-E716 PolarHBondContact O-N 3.3Å; V713-E716 PolarHBondContact O-N 3.03Å; E716-L718 PolarHBondContact O-N 3.47Å; E716-L719 PolarHBondContact O-N 3.36Å; E716-Q720 HydrophobicContact CG-CG 4.48Å; E716-Q720 WeakPolarHBondContact O-CG 3.43Å; E716-Q720 PolarHBondContact O-N 3.24Å; E716-Q720 VanDerWaalsContact OE1-CG 3.31Å; E716-Q720 WeakPolarHBondContact OE1-CG 3.47Å; E716-Q720 PolarHBondContact OE1-NE2 3.33Å; E716-L750 HydrophobicContact CB-CD2 4.34Å; E716-R754 IonicContact OE1-CZ 3.21Å; E716-R754 IonicContact OE1-NH1 3.27Å; E716-R754 IonicContact OE1-NH2 2.7Å; E716-R754 PolarHBondContact OE1-NH2 3.02Å; E716-R754 IonicContact OE2-CZ 3.48Å; E716-R754 VanDerWaalsContact OE2-CZ 3.27Å; E716-R754 IonicContact OE2-NE 3.58Å; E716-R754 IonicContact OE2-NH1 3.72Å; E716-R754 IonicContact OE2-NH2 2.8Å; E716-R754 PolarHBondContact OE2-NH2 2.84Å
717	F	96.8	Very high	94	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-43.9	176	179	-105.2	0	0	0	113.1	N432 L470 L474 L677 M680 A681 L684 V713 T714 C715 Q720 N721	N432-F717 WeakPolarHBondContact O-CE2 3.45Å; L470-F717 HydrophobicContact CD1-CB 3.82Å; L470-F717 HydrophobicContact CD1-CD2 3.87Å; L470-F717 HydrophobicContact CD1-CG 4.25Å; L470-F717 HydrophobicContact CD2-CB 4.12Å; L470-F717 HydrophobicContact CD2-CD2 4.26Å; L474-F717 HydrophobicContact CD1-CD2 3.98Å; L474-F717 HydrophobicContact CD1-CE2 3.77Å; L677-F717 HydrophobicContact CD2-CB 3.52Å; L677-F717 HydrophobicContact CD2-CD1 4.13Å; L677-F717 HydrophobicContact CD2-CD2 4.26Å; L677-F717 HydrophobicContact CD2-CG 3.71Å; M680-F717 HydrophobicContact CB-CD1 4.15Å; M680-F717 HydrophobicContact CB-CE1 3.76Å; M680-F717 HydrophobicContact CE-CD1 3.74Å; M680-F717 HydrophobicContact CE-CE1 4.44Å; M680-F717 HydrophobicContact SD-CD1 4.4Å; A681-F717 HydrophobicContact CB-CZ 4.1Å; L684-F717 HydrophobicContact CD1-CE1 3.61Å; L684-F717 HydrophobicContact CD1-CZ 3.77Å; V713-F717 PolarHBondContact O-N 3.49Å; T714-F717 PolarHBondContact O-N 2.86Å; C715-F717 PolarHBondContact O-N 3.23Å; F717-Q720 PolarHBondContact O-N 2.95Å; F717-N721 WeakPolarHBondContact CE2-ND2 3.43Å; F717-N721 PolarHBondContact O-N 3.47Å; F717-N721 PolarHBondContact O-ND2 3.11Å
718	L	96.9	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-40.2	177	-67.8	170.3	0	0	0	111.4	L668 M680 V690 P702 L703 A706 T714 C715 E716 Q720 N721 A722 V723	L668-L718 HydrophobicContact CD1-CD2 4.15Å; L668-L718 HydrophobicContact CD2-CD2 4.41Å; L668-L718 HydrophobicContact CG-CD2 4.48Å; M680-L718 HydrophobicContact CE-CD1 3.89Å; M680-L718 HydrophobicContact CE-CD2 3.77Å; M680-L718 HydrophobicContact CE-CG 3.57Å; V690-L718 HydrophobicContact CG1-CD2 4.34Å; P702-L718 HydrophobicContact CB-CD1 4.16Å; P702-L718 HydrophobicContact CB-CD2 4.33Å; L703-L718 HydrophobicContact CB-CD1 4.21Å; L703-L718 HydrophobicContact CD1-CB 4.37Å; L703-L718 HydrophobicContact CD1-CD1 4.19Å; A706-L718 HydrophobicContact CB-CD1 4.02Å; T714-L718 WeakPolarHBondContact O-CG 3.35Å; T714-L718 PolarHBondContact O-N 3.49Å; T714-L718 VanDerWaalsContact O-N 3.16Å; C715-L718 PolarHBondContact O-N 3.36Å; E716-L718 PolarHBondContact O-N 3.47Å; L718-Q720 VanDerWaalsContact C-N 3.34Å; L718-Q720 PolarHBondContact O-N 2.98Å; L718-N721 CarbonylContact O-C 3.49Å; L718-N721 VanDerWaalsContact O-C 3.28Å; L718-N721 WeakPolarHBondContact O-CA 3.46Å; L718-N721 PolarHBondContact O-N 3.23Å; L718-A722 PolarHBondContact O-N 3.13Å; L718-A722 VanDerWaalsContact O-N 3.15Å; L718-V723 HydrophobicContact CB-CB 4.09Å; L718-V723 HydrophobicContact CB-CG1 3.85Å; L718-V723 WeakPolarHBondContact O-CB 3.34Å; L718-V723 WeakPolarHBondContact O-CG1 3.37Å; L718-V723 PolarHBondContact O-N 3.39Å
719	L	95.6	Very high	94	Very high	14 Å²	14	23.7 Å²	23.7	7%	0.073	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-39.2	173.8	-70.1	161.6	0	0	0	111.9	C715 E716 N721 A722 V723 V725 L750 F751 R754	C715-L719 WeakPolarHBondContact O-CB 3.47Å; C715-L719 WeakPolarHBondContact O-CD1 3.32Å; C715-L719 VanDerWaalsContact O-CG 3.26Å; C715-L719 WeakPolarHBondContact O-CG 3.4Å; C715-L719 PolarHBondContact O-N 3.08Å; E716-L719 PolarHBondContact O-N 3.36Å; L719-N721 VanDerWaalsContact C-N 3.27Å; L719-N721 PolarHBondContact O-N 3.38Å; L719-A722 PolarHBondContact O-N 3.46Å; L719-A722 VanDerWaalsContact O-N 3.15Å; L719-V723 HydrophobicContact CD2-CG1 3.99Å; L719-V723 HydrophobicContact CG-CG1 4.19Å; L719-V725 HydrophobicContact CD2-CB 4.09Å; L719-V725 HydrophobicContact CD2-CG2 4.12Å; L719-L750 HydrophobicContact CD1-CD1 4.19Å; L719-L750 HydrophobicContact CD1-CD2 3.82Å; L719-L750 HydrophobicContact CD1-CG 3.82Å; L719-F751 HydrophobicContact CD1-CD1 4.22Å; L719-F751 HydrophobicContact CD1-CE1 4.13Å; L719-R754 HydrophobicContact CD1-CG 4.04Å; L719-R754 HydrophobicContact CD2-CB 4.17Å; L719-R754 HydrophobicContact CD2-CG 4.16Å
720	Q	95.2	Very high	94.2	Very high	15 Å²	15	26 Å²	26	7%	0.07	16%	0.163	C	C	.	.	H	α-helix	trans	-68.8	-25.3	172.3	-67.9	-58.7	-13.4	0	0	113	I431 N432 K454 L467 E716 F717 L718 A722 R754	I431-Q720 HydrophobicContact CG1-CG 4.28Å; N432-Q720 HydrophobicContact CB-CB 3.88Å; N432-Q720 VanDerWaalsContact CB-O 3.23Å; N432-Q720 WeakPolarHBondContact CB-O 3.26Å; K454-Q720 WeakPolarHBondContact CD-O 3.4Å; K454-Q720 VanDerWaalsContact CE-O 3.22Å; K454-Q720 WeakPolarHBondContact CE-O 3.28Å; K454-Q720 PolarHBondContact NZ-O 3.45Å; L467-Q720 HydrophobicContact CD1-CG 3.94Å; E716-Q720 HydrophobicContact CG-CG 4.48Å; E716-Q720 WeakPolarHBondContact O-CG 3.43Å; E716-Q720 PolarHBondContact O-N 3.24Å; E716-Q720 VanDerWaalsContact OE1-CG 3.31Å; E716-Q720 WeakPolarHBondContact OE1-CG 3.47Å; E716-Q720 PolarHBondContact OE1-NE2 3.33Å; F717-Q720 PolarHBondContact O-N 2.95Å; L718-Q720 VanDerWaalsContact C-N 3.34Å; L718-Q720 PolarHBondContact O-N 2.98Å; Q720-A722 VanDerWaalsContact C-N 3.31Å; Q720-R754 VanDerWaalsContact NE2-NH1 3.18Å
721	N	95.9	Very high	94.3	Very high	31 Å²	31	26.6 Å²	26.6	17%	0.166	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	18.5	170.5	-71.3	-73.9	0	0	0	114.1	N432 L684 V690 F717 L718 L719	N432-N721 PolarHBondContact ND2-OD1 3.02Å; N432-N721 PolarHBondContact O-ND2 2.64Å; N432-N721 PolarHBondContact O-OD1 3.01Å; L684-N721 HydrophobicContact CD1-CB 4.1Å; V690-N721 HydrophobicContact CG1-CB 4.38Å; V690-N721 HydrophobicContact CG2-CB 4.17Å; V690-N721 WeakPolarHBondContact CG2-O 3.38Å; F717-N721 WeakPolarHBondContact CE2-ND2 3.43Å; F717-N721 PolarHBondContact O-N 3.47Å; F717-N721 PolarHBondContact O-ND2 3.11Å; L718-N721 CarbonylContact O-C 3.49Å; L718-N721 VanDerWaalsContact O-C 3.28Å; L718-N721 WeakPolarHBondContact O-CA 3.46Å; L718-N721 PolarHBondContact O-N 3.23Å; L719-N721 VanDerWaalsContact C-N 3.27Å; L719-N721 PolarHBondContact O-N 3.38Å
722	A	93.8	Very high	94.5	Very high	65 Å²	65	26.6 Å²	26.6	54%	0.537	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	37.6	172.1	0	0	0	0	0	115.2	L718 L719 Q720	L718-A722 PolarHBondContact O-N 3.13Å; L718-A722 VanDerWaalsContact O-N 3.15Å; L719-A722 PolarHBondContact O-N 3.46Å; L719-A722 VanDerWaalsContact O-N 3.15Å; Q720-A722 VanDerWaalsContact C-N 3.31Å
723	V	95	Very high	94.7	Very high	12 Å²	12	27.8 Å²	27.8	7%	0.073	16%	0.162	C	C	.	.			trans	-60.7	146.8	163.7	80.2	0	0	0	0	111.2	V690 N691 L703 L718 L719 V725	V690-V723 HydrophobicContact CG1-CB 3.57Å; V690-V723 HydrophobicContact CG1-CG2 3.97Å; N691-V723 VanDerWaalsContact OD1-CA 3.32Å; N691-V723 WeakPolarHBondContact OD1-CA 3.44Å; N691-V723 WeakPolarHBondContact OD1-CG2 3.39Å; L703-V723 HydrophobicContact CB-CG1 4.24Å; L703-V723 HydrophobicContact CB-CG2 3.88Å; L703-V723 HydrophobicContact CD1-CG1 4.33Å; L703-V723 HydrophobicContact CD2-CG1 3.64Å; L703-V723 HydrophobicContact CD2-CG2 4.44Å; L703-V723 HydrophobicContact CG-CG1 4.28Å; L718-V723 HydrophobicContact CB-CB 4.09Å; L718-V723 HydrophobicContact CB-CG1 3.85Å; L718-V723 WeakPolarHBondContact O-CB 3.34Å; L718-V723 WeakPolarHBondContact O-CG1 3.37Å; L718-V723 PolarHBondContact O-N 3.39Å; L719-V723 HydrophobicContact CD2-CG1 3.99Å; L719-V723 HydrophobicContact CG-CG1 4.19Å; V723-V725 PolarHBondContact O-N 3.13Å
724	N	94.6	Very high	94.7	Very high	74 Å²	74	27.6 Å²	27.6	40%	0.396	16%	0.162	S	C	.	.			trans	-79.6	106.9	173.8	-179.8	3.8	0	0	0	110	N691 N726 Q727	N691-N724 PolarHBondContact OD1-N 3.37Å; N724-N726 PolarHBondContact O-N 3.41Å; N724-N726 VanDerWaalsContact O-N 3.09Å; N724-N726 PolarHBondContact OD1-N 3.45Å; N724-Q727 HydrophobicContact CB-CB 4.14Å; N724-Q727 PolarHBondContact O-N 3.27Å
725	V	95.6	Very high	94.8	Very high	12 Å²	12	27.6 Å²	27.6	7%	0.073	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.1	178.5	74.3	0	0	0	0	113.8	L703 L719 V723 P735 F751 R754 A756	L703-V725 HydrophobicContact CD2-CG2 4.46Å; L719-V725 HydrophobicContact CD2-CB 4.09Å; L719-V725 HydrophobicContact CD2-CG2 4.12Å; V723-V725 PolarHBondContact O-N 3.13Å; V725-P735 WeakPolarHBondContact O-CD 3.44Å; V725-P735 WeakPolarHBondContact O-CG 3.29Å; V725-F751 HydrophobicContact CG2-CB 3.99Å; V725-F751 HydrophobicContact CG2-CD1 3.75Å; V725-F751 HydrophobicContact CG2-CG 4.05Å; V725-R754 HydrophobicContact CG2-CB 4.49Å; V725-A756 HydrophobicContact CG1-CB 4.4Å; V725-A756 HydrophobicContact CG2-CB 3.98Å
726	N	95.1	Very high	94.8	Very high	60 Å²	60	27.8 Å²	27.8	32%	0.321	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	11.8	-176.7	-67.8	-45.2	0	0	0	113.9	N724 L728 G755 A756 N757	N724-N726 PolarHBondContact O-N 3.41Å; N724-N726 VanDerWaalsContact O-N 3.09Å; N724-N726 PolarHBondContact OD1-N 3.45Å; N726-L728 WeakPolarHBondContact O-CD2 3.39Å; N726-L728 PolarHBondContact O-N 3.17Å; N726-G755 PolarHBondContact ND2-O 2.99Å; N726-G755 VanDerWaalsContact ND2-O 3.09Å; N726-A756 VanDerWaalsContact OD1-CA 3.28Å; N726-A756 WeakPolarHBondContact OD1-CA 3.42Å; N726-N757 PolarHBondContact OD1-N 3.02Å
727	Q	94.3	Very high	94.8	Very high	38 Å²	38	28 Å²	28	18%	0.178	16%	0.164	C	C	.	.			trans	-72.8	127	178.8	-168.8	167.5	-6.6	0	0	111	N691 T701 N724 P735	N691-Q727 PolarHBondContact O-NE2 3.17Å; N691-Q727 VanDerWaalsContact O-NE2 3.1Å; N691-Q727 PolarHBondContact OD1-OE1 3.1Å; T701-Q727 HydrophobicContact CG2-CB 4.22Å; T701-Q727 VanDerWaalsContact CG2-CD 3.48Å; T701-Q727 HydrophobicContact CG2-CG 3.74Å; N724-Q727 HydrophobicContact CB-CB 4.14Å; N724-Q727 PolarHBondContact O-N 3.27Å; Q727-P735 WeakPolarHBondContact O-CD 3.35Å
728	L	93.9	Very high	94.7	Very high	82 Å²	82	27.9 Å²	27.9	43%	0.429	16%	0.164	S	C	.	.			trans	-95.6	147.1	-172	-50.3	-179	0	0	0	112.3	N726 R733	N726-L728 WeakPolarHBondContact O-CD2 3.39Å; N726-L728 PolarHBondContact O-N 3.17Å; L728-R733 WeakPolarHBondContact CA-O 3.42Å
729	D	93.6	Very high	94.6	Very high	9 Å²	9	27.9 Å²	27.9	5%	0.048	16%	0.164	C	C	.	.			trans	-76.4	-177.5	168.7	74.2	9.8	0	0	0	112.3	D698 R700 I704 Q731 G732 R733 H738	D698-D729 WeakPolarHBondContact O-CB 3.36Å; R700-D729 HydrophobicContact CG-CB 4.46Å; I704-D729 HydrophobicContact CD1-CB 4.11Å; D729-Q731 PolarHBondContact O-N 3.38Å; D729-Q731 VanDerWaalsContact OD1-C 3.25Å; D729-Q731 VanDerWaalsContact OD1-CA 3.27Å; D729-Q731 WeakPolarHBondContact OD1-CA 3.45Å; D729-Q731 WeakPolarHBondContact OD1-CB 3.38Å; D729-Q731 PolarHBondContact OD1-N 3.3Å; D729-Q731 PolarHBondContact OD2-OE1 2.97Å; D729-G732 PolarHBondContact O-N 3.22Å; D729-G732 PolarHBondContact OD1-N 3.26Å; D729-G732 VanDerWaalsContact OD1-N 3.08Å; D729-R733 PolarHBondContact N-O 2.91Å; D729-R733 WeakPolarHBondContact OD1-CB 3.36Å; D729-R733 PolarHBondContact OD1-N 3.35Å; D729-R733 IonicContact OD1-NE 3.72Å; D729-R733 IonicContact OD2-CZ 2.72Å; D729-R733 IonicContact OD2-NE 2.87Å; D729-R733 PolarHBondContact OD2-NE 3.28Å; D729-R733 VanDerWaalsContact OD2-NE 3.14Å; D729-R733 IonicContact OD2-NH2 3.22Å; D729-R733 PolarHBondContact OD2-NH2 3.2Å; D729-H738 IonicContact OD2-CD2 3.62Å; D729-H738 IonicContact OD2-CE1 2.71Å; D729-H738 PolarHBondContact OD2-CE1 2.8Å; D729-H738 IonicContact OD2-NE2 2.99Å; D729-H738 PolarHBondContact OD2-NE2 3.34Å
730	A	92.6	Very high	94.5	Very high	51 Å²	51	27.3 Å²	27.3	42%	0.421	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.8	178.8	0	0	0	0	0	113.9	D698 K699	D698-A730 HydrophobicContact CB-CB 4.48Å; D698-A730 WeakPolarHBondContact O-CB 3.32Å; D698-A730 PolarHBondContact O-N 2.99Å; K699-A730 HydrophobicContact CB-CB 4.29Å; K699-A730 HydrophobicContact CD-CB 4.32Å; K699-A730 HydrophobicContact CG-CB 4.27Å
731	Q	92.3	Very high	94.4	Very high	43 Å²	43	30 Å²	30	20%	0.201	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	11	172.4	-62.6	81.4	35.6	0	0	112.2	D698 D729 R733 I763	D698-Q731 PolarHBondContact OD1-NE2 3.42Å; D729-Q731 PolarHBondContact O-N 3.38Å; D729-Q731 VanDerWaalsContact OD1-C 3.25Å; D729-Q731 VanDerWaalsContact OD1-CA 3.27Å; D729-Q731 WeakPolarHBondContact OD1-CA 3.45Å; D729-Q731 WeakPolarHBondContact OD1-CB 3.38Å; D729-Q731 PolarHBondContact OD1-N 3.3Å; D729-Q731 PolarHBondContact OD2-OE1 2.97Å; Q731-R733 VanDerWaalsContact C-N 3.27Å; Q731-R733 HydrophobicContact CB-CG 4.4Å; Q731-R733 PolarHBondContact O-N 2.98Å; Q731-I763 HydrophobicContact CB-CD1 4Å; Q731-I763 HydrophobicContact CB-CG1 4.26Å; Q731-I763 HydrophobicContact CG-CD1 4.1Å; Q731-I763 WeakPolarHBondContact O-CG1 3.29Å; Q731-I763 WeakPolarHBondContact O-CG2 3.3Å; Q731-I763 PolarHBondContact O-N 3.48Å; Q731-I763 VanDerWaalsContact O-N 3.15Å
732	G	92.6	Very high	94.1	Very high	17 Å²	17	31.9 Å²	31.9	18%	0.175	18%	0.184	C	C	.	.	S	Bend	trans	74.7	13	179.1	0	0	0	0	0	114.2	D729	D729-G732 PolarHBondContact O-N 3.22Å; D729-G732 PolarHBondContact OD1-N 3.26Å; D729-G732 VanDerWaalsContact OD1-N 3.08Å
733	R	94.4	Very high	93.9	Very high	49 Å²	49	29.8 Å²	29.8	19%	0.185	17%	0.168	C	C	.	.			trans	-96.6	129.7	-176.3	-62	174.9	-58.2	-160.6	-3.8	111.1	L728 D729 Q731 H737 D762	L728-R733 WeakPolarHBondContact CA-O 3.42Å; D729-R733 PolarHBondContact N-O 2.91Å; D729-R733 WeakPolarHBondContact OD1-CB 3.36Å; D729-R733 PolarHBondContact OD1-N 3.35Å; D729-R733 IonicContact OD1-NE 3.72Å; D729-R733 IonicContact OD2-CZ 2.72Å; D729-R733 IonicContact OD2-NE 2.87Å; D729-R733 PolarHBondContact OD2-NE 3.28Å; D729-R733 VanDerWaalsContact OD2-NE 3.14Å; D729-R733 IonicContact OD2-NH2 3.22Å; D729-R733 PolarHBondContact OD2-NH2 3.2Å; Q731-R733 VanDerWaalsContact C-N 3.27Å; Q731-R733 HydrophobicContact CB-CG 4.4Å; Q731-R733 PolarHBondContact O-N 2.98Å; R733-H737 HydrophobicContact CB-CB 3.8Å; R733-H737 HydrophobicContact CG-CB 4.21Å; R733-D762 HydrophobicContact CG-CB 3.53Å
734	G	94.8	Very high	93.7	Very high	4 Å²	4	31.2 Å²	31.2	4%	0.041	17%	0.174	C	C	.	.			trans	-89.4	174.3	173.8	0	0	0	0	0	113.1	L736 H737 H738	G734-L736 PolarHBondContact O-N 3.29Å; G734-L736 VanDerWaalsContact O-N 3.13Å; G734-H737 PolarHBondContact N-ND1 2.68Å; G734-H737 WeakPolarHBondContact O-CB 3.28Å; G734-H737 PolarHBondContact O-N 3.26Å; G734-H738 PolarHBondContact O-CD2 3.2Å; G734-H738 PolarHBondContact O-N 2.92Å
735	P	96.2	Very high	93.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-49	-36.5	172.8	-28.8	32.8	0	0	0	114.3	L703 I704 V707 V725 Q727 H738 A739 F751	L703-P735 HydrophobicContact CB-CG 4.42Å; L703-P735 HydrophobicContact CD2-CB 3.92Å; L703-P735 HydrophobicContact CD2-CG 3.55Å; L703-P735 HydrophobicContact CG-CB 4.07Å; L703-P735 HydrophobicContact CG-CG 3.87Å; I704-P735 HydrophobicContact CG1-CG 4.03Å; V707-P735 HydrophobicContact CG2-CB 4.36Å; V725-P735 WeakPolarHBondContact O-CD 3.44Å; V725-P735 WeakPolarHBondContact O-CG 3.29Å; Q727-P735 WeakPolarHBondContact O-CD 3.35Å; P735-H738 PolarHBondContact O-N 3.07Å; P735-A739 WeakPolarHBondContact O-CB 3.48Å; P735-A739 PolarHBondContact O-N 2.99Å; P735-F751 HydrophobicContact CB-CD2 4.08Å; P735-F751 HydrophobicContact CB-CE2 3.7Å; P735-F751 HydrophobicContact CB-CZ 3.98Å
736	L	96.3	Very high	93.2	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-44.1	176.7	-175.8	61.1	0	0	0	112.4	G734 A739 T740 V748 F751 L752 A756 Q758 P768 L784	G734-L736 PolarHBondContact O-N 3.29Å; G734-L736 VanDerWaalsContact O-N 3.13Å; L736-A739 PolarHBondContact O-N 3.49Å; L736-T740 WeakPolarHBondContact O-CB 3.43Å; L736-T740 PolarHBondContact O-N 3.17Å; L736-T740 PolarHBondContact O-OG1 2.96Å; L736-T740 VanDerWaalsContact O-OG1 3.1Å; L736-V748 HydrophobicContact CD1-CB 4.37Å; L736-V748 HydrophobicContact CD1-CG1 3.98Å; L736-V748 HydrophobicContact CD1-CG2 4.35Å; L736-F751 HydrophobicContact CD1-CB 4.31Å; L736-L752 HydrophobicContact CD1-CD2 4.35Å; L736-L752 HydrophobicContact CD1-CG 4.22Å; L736-L752 HydrophobicContact CD2-CD2 3.92Å; L736-A756 HydrophobicContact CB-CB 4.19Å; L736-A756 HydrophobicContact CD2-CB 3.92Å; L736-Q758 HydrophobicContact CD2-CB 4.24Å; L736-P768 HydrophobicContact CB-CG 4.49Å; L736-P768 HydrophobicContact CD2-CB 4.18Å; L736-P768 HydrophobicContact CD2-CG 3.83Å; L736-P768 HydrophobicContact CG-CB 4.03Å; L736-P768 HydrophobicContact CG-CG 3.85Å; L736-L784 HydrophobicContact CD2-CD2 4.33Å
737	H	95.4	Very high	93.1	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-47.4	173.7	-66.4	76.2	0	0	0	111.4	R733 G734 T740 M741 A760 A761 D762 K766 I771	R733-H737 HydrophobicContact CB-CB 3.8Å; R733-H737 HydrophobicContact CG-CB 4.21Å; G734-H737 PolarHBondContact N-ND1 2.68Å; G734-H737 WeakPolarHBondContact O-CB 3.28Å; G734-H737 PolarHBondContact O-N 3.26Å; H737-T740 PolarHBondContact O-N 3.25Å; H737-M741 WeakPolarHBondContact O-CG 3.1Å; H737-M741 PolarHBondContact O-N 2.82Å; H737-A760 WeakPolarHBondContact CE1-CB 3.28Å; H737-A760 PolarHBondContact CE1-O 2.86Å; H737-A760 PolarHBondContact NE2-O 3.39Å; H737-A761 VanDerWaalsContact NE2-C 3.29Å; H737-A761 VanDerWaalsContact NE2-CA 3.32Å; H737-A761 WeakPolarHBondContact NE2-CA 3.4Å; H737-D762 PolarHBondContact NE2-N 2.92Å; H737-K766 PolarHBondContact NE2-O 3.01Å; H737-I771 HydrophobicContact CB-CD1 4.4Å
738	H	94.9	Very high	93	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-43.7	178.9	-75.5	-81.5	0	0	0	112	V707 H708 D729 G734 P735 T740 M741 L742	V707-H738 HydrophobicContact CG1-CB 3.73Å; H708-H738 AromaticContact CD2-ND1 3.94Å; H708-H738 AromaticContact CE1-ND1 3.83Å; H708-H738 AromaticContact NE2-CE1 3.66Å; H708-H738 AromaticContact NE2-CG 3.79Å; H708-H738 AromaticContact NE2-ND1 2.96Å; H708-H738 PolarHBondContact NE2-ND1 3.48Å; D729-H738 IonicContact OD2-CD2 3.62Å; D729-H738 IonicContact OD2-CE1 2.71Å; D729-H738 PolarHBondContact OD2-CE1 2.8Å; D729-H738 IonicContact OD2-NE2 2.99Å; D729-H738 PolarHBondContact OD2-NE2 3.34Å; G734-H738 PolarHBondContact O-CD2 3.2Å; G734-H738 PolarHBondContact O-N 2.92Å; P735-H738 PolarHBondContact O-N 3.07Å; H738-T740 VanDerWaalsContact C-N 3.31Å; H738-T740 PolarHBondContact O-N 3.18Å; H738-M741 HydrophobicContact CB-CE 4.37Å; H738-M741 PolarHBondContact O-N 2.69Å; H738-L742 WeakPolarHBondContact O-CG 3.38Å; H738-L742 PolarHBondContact O-N 3.05Å
739	A	94.9	Very high	92.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-35.9	177.4	0	0	0	0	0	112.1	V707 P735 L736 G743 H744 Q747 V748 F751	V707-A739 HydrophobicContact CG1-CB 3.92Å; P735-A739 WeakPolarHBondContact O-CB 3.48Å; P735-A739 PolarHBondContact O-N 2.99Å; L736-A739 PolarHBondContact O-N 3.49Å; A739-G743 PolarHBondContact O-N 3.02Å; A739-H744 PolarHBondContact O-N 3.37Å; A739-Q747 HydrophobicContact CB-CB 3.92Å; A739-V748 HydrophobicContact CB-CG2 3.84Å; A739-F751 HydrophobicContact CB-CD2 4.18Å; A739-F751 HydrophobicContact CB-CE2 3.99Å
740	T	94.2	Very high	92.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-70.3	-43.6	174.5	-64.4	0	0	0	0	112.8	L736 H737 H738 L742 G743 P768 I771 A772 I780	L736-T740 WeakPolarHBondContact O-CB 3.43Å; L736-T740 PolarHBondContact O-N 3.17Å; L736-T740 PolarHBondContact O-OG1 2.96Å; L736-T740 VanDerWaalsContact O-OG1 3.1Å; H737-T740 PolarHBondContact O-N 3.25Å; H738-T740 VanDerWaalsContact C-N 3.31Å; H738-T740 PolarHBondContact O-N 3.18Å; T740-L742 VanDerWaalsContact C-N 3.3Å; T740-L742 PolarHBondContact O-N 3.17Å; T740-G743 PolarHBondContact O-N 3.49Å; T740-G743 VanDerWaalsContact O-N 3.11Å; T740-P768 WeakPolarHBondContact CG2-O 3.36Å; T740-I771 HydrophobicContact CG2-CB 4Å; T740-I771 HydrophobicContact CG2-CG2 3.83Å; T740-A772 HydrophobicContact CG2-CB 3.74Å; T740-I780 HydrophobicContact CG2-CG2 3.91Å
741	M	92.3	Very high	92.9	Very high	73 Å²	73	16.9 Å²	16.9	36%	0.36	10%	0.095	S	C	.	.	H	α-helix	trans	-60.6	-38.7	176.2	-73.4	-174.5	-62.4	0	0	112.3	H737 H738 G743 I771	H737-M741 WeakPolarHBondContact O-CG 3.1Å; H737-M741 PolarHBondContact O-N 2.82Å; H738-M741 HydrophobicContact CB-CE 4.37Å; H738-M741 PolarHBondContact O-N 2.69Å; M741-G743 VanDerWaalsContact C-N 3.3Å; M741-I771 HydrophobicContact CB-CG2 4.47Å; M741-I771 HydrophobicContact CG-CD1 4.25Å; M741-I771 HydrophobicContact CG-CG2 3.64Å
742	L	90.1	Very high	92.9	Very high	70 Å²	70	15.5 Å²	15.5	37%	0.366	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.8	177.5	-62.6	175	0	0	0	113.6	V707 H738 T740 H744	V707-L742 HydrophobicContact CG1-CD1 4.15Å; H738-L742 WeakPolarHBondContact O-CG 3.38Å; H738-L742 PolarHBondContact O-N 3.05Å; T740-L742 VanDerWaalsContact C-N 3.3Å; T740-L742 PolarHBondContact O-N 3.17Å; L742-H744 VanDerWaalsContact C-N 3.27Å; L742-H744 PolarHBondContact O-CD2 3.04Å; L742-H744 PolarHBondContact O-N 3.44Å
743	G	89.3	Confident	92.6	Very high	21 Å²	21	16.9 Å²	16.9	22%	0.216	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	17.6	-178.7	0	0	0	0	0	114.8	A739 T740 M741 T745	A739-G743 PolarHBondContact O-N 3.02Å; T740-G743 PolarHBondContact O-N 3.49Å; T740-G743 VanDerWaalsContact O-N 3.11Å; M741-G743 VanDerWaalsContact C-N 3.3Å; G743-T745 VanDerWaalsContact C-N 3.32Å; G743-T745 PolarHBondContact O-N 3.22Å; G743-T745 PolarHBondContact O-OG1 3.29Å
744	H	90.9	Very high	92.4	Very high	41 Å²	41	18 Å²	18	19%	0.19	9%	0.094	C	C	.	.			trans	-77.9	73.3	-176.5	-65.6	172	0	0	0	112.1	V707 A739 L742 G746 Q747 V748	V707-H744 PolarHBondContact O-CE1 3.27Å; V707-H744 PolarHBondContact O-ND1 3.03Å; A739-H744 PolarHBondContact O-N 3.37Å; L742-H744 VanDerWaalsContact C-N 3.27Å; L742-H744 PolarHBondContact O-CD2 3.04Å; L742-H744 PolarHBondContact O-N 3.44Å; H744-G746 PolarHBondContact O-N 2.95Å; H744-G746 VanDerWaalsContact O-N 3.08Å; H744-Q747 HydrophobicContact CB-CB 4.08Å; H744-Q747 HydrophobicContact CB-CG 4.25Å; H744-Q747 PolarHBondContact ND1-OE1 2.62Å; H744-Q747 PolarHBondContact O-N 3.32Å; H744-V748 PolarHBondContact O-N 2.95Å; H744-V748 VanDerWaalsContact O-N 3.08Å
745	T	89.5	Confident	92.1	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-48.8	-39	-176.2	-51.2	0	0	0	0	113.9	G743 V748 C749 D779 I780 L783 F815 L826	G743-T745 VanDerWaalsContact C-N 3.32Å; G743-T745 PolarHBondContact O-N 3.22Å; G743-T745 PolarHBondContact O-OG1 3.29Å; T745-V748 PolarHBondContact O-N 3.35Å; T745-C749 WeakPolarHBondContact O-CB 3.34Å; T745-C749 PolarHBondContact O-N 3.49Å; T745-D779 HydrophobicContact CG2-CB 3.94Å; T745-I780 HydrophobicContact CG2-CG1 4.25Å; T745-L783 HydrophobicContact CG2-CD1 3.7Å; T745-F815 HydrophobicContact CG2-CD1 4.18Å; T745-F815 HydrophobicContact CG2-CE1 4.2Å; T745-L826 HydrophobicContact CG2-CD1 4.48Å; T745-L826 HydrophobicContact CG2-CD2 4.41Å
746	G	89.4	Confident	91.9	Very high	13 Å²	13	20.7 Å²	20.7	13%	0.134	12%	0.121	C	C	.	.	H	α-helix	trans	-65.4	-40	176.6	0	0	0	0	0	114.1	L712 H744 C749 L750	L712-G746 WeakPolarHBondContact CD1-O 3.48Å; H744-G746 PolarHBondContact O-N 2.95Å; H744-G746 VanDerWaalsContact O-N 3.08Å; G746-C749 PolarHBondContact O-N 2.98Å; G746-L750 PolarHBondContact O-N 3.23Å
747	Q	93.4	Very high	91.7	Very high	5 Å²	5	24 Å²	24	2%	0.023	14%	0.139	C	C	.	.	H	α-helix	trans	-71.3	-37.5	176.9	-69.3	179.1	-27.8	0	0	111.2	A706 V707 S711 L712 C715 A739 H744 L750 F751	A706-Q747 PolarHBondContact O-NE2 3.41Å; V707-Q747 PolarHBondContact O-OE1 3.04Å; S711-Q747 PolarHBondContact O-NE2 3.04Å; L712-Q747 HydrophobicContact CD1-CG 4.04Å; C715-Q747 PolarHBondContact SG-NE2 3.42Å; A739-Q747 HydrophobicContact CB-CB 3.92Å; H744-Q747 HydrophobicContact CB-CB 4.08Å; H744-Q747 HydrophobicContact CB-CG 4.25Å; H744-Q747 PolarHBondContact ND1-OE1 2.62Å; H744-Q747 PolarHBondContact O-N 3.32Å; Q747-L750 PolarHBondContact O-N 2.9Å; Q747-F751 HydrophobicContact CB-CE2 4.18Å; Q747-F751 VanDerWaalsContact O-CD2 3.23Å; Q747-F751 WeakPolarHBondContact O-CD2 3.33Å; Q747-F751 VanDerWaalsContact O-CG 3.24Å; Q747-F751 WeakPolarHBondContact O-CG 3.37Å; Q747-F751 PolarHBondContact O-N 3.32Å
748	V	93.3	Very high	91.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.1	-50.3	170.9	170.9	0	0	0	0	111.1	L736 A739 H744 T745 L750 F751 L752 I780 L783	L736-V748 HydrophobicContact CD1-CB 4.37Å; L736-V748 HydrophobicContact CD1-CG1 3.98Å; L736-V748 HydrophobicContact CD1-CG2 4.35Å; A739-V748 HydrophobicContact CB-CG2 3.84Å; H744-V748 PolarHBondContact O-N 2.95Å; H744-V748 VanDerWaalsContact O-N 3.08Å; T745-V748 PolarHBondContact O-N 3.35Å; V748-L750 VanDerWaalsContact C-N 3.35Å; V748-L750 PolarHBondContact O-N 2.95Å; V748-F751 PolarHBondContact O-N 3.41Å; V748-L752 HydrophobicContact CG1-CD1 3.76Å; V748-L752 HydrophobicContact CG1-CG 4.41Å; V748-L752 WeakPolarHBondContact O-CG 3.41Å; V748-L752 PolarHBondContact O-N 2.94Å; V748-I780 HydrophobicContact CG1-CG2 4.21Å; V748-I780 HydrophobicContact CG2-CD1 4.06Å; V748-I780 HydrophobicContact CG2-CG1 4.31Å; V748-I780 HydrophobicContact CG2-CG2 4.27Å; V748-L783 HydrophobicContact CG1-CD1 4.34Å
749	C	91	Very high	91.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-56.3	-47.7	177.3	-178.1	0	0	0	0	111.7	T745 G746 F751 K753 L783 F812 F815	T745-C749 WeakPolarHBondContact O-CB 3.34Å; T745-C749 PolarHBondContact O-N 3.49Å; G746-C749 PolarHBondContact O-N 2.98Å; C749-F751 PolarHBondContact O-N 3.33Å; C749-K753 WeakPolarHBondContact O-CB 3.2Å; C749-K753 PolarHBondContact O-N 3.1Å; C749-L783 HydrophobicContact CB-CD1 4.02Å; C749-F812 WeakPolarHBondContact SG-CD1 3.21Å; C749-F815 HydrophobicContact CB-CB 4.42Å
750	L	91.4	Very high	90.9	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-43.2	177.5	177.8	60.1	0	0	0	112.7	L712 C715 E716 L719 G746 Q747 V748 R754	L712-L750 HydrophobicContact CD1-CB 3.91Å; L712-L750 HydrophobicContact CD1-CD2 3.66Å; L712-L750 HydrophobicContact CD1-CG 4.42Å; L712-L750 HydrophobicContact CG-CD2 4.34Å; C715-L750 HydrophobicContact CB-CD2 3.93Å; E716-L750 HydrophobicContact CB-CD2 4.34Å; L719-L750 HydrophobicContact CD1-CD1 4.19Å; L719-L750 HydrophobicContact CD1-CD2 3.82Å; L719-L750 HydrophobicContact CD1-CG 3.82Å; G746-L750 PolarHBondContact O-N 3.23Å; Q747-L750 PolarHBondContact O-N 2.9Å; V748-L750 VanDerWaalsContact C-N 3.35Å; V748-L750 PolarHBondContact O-N 2.95Å; L750-R754 HydrophobicContact CD1-CG 4.3Å; L750-R754 WeakPolarHBondContact O-CG 3.31Å; L750-R754 PolarHBondContact O-N 2.93Å
751	F	94.7	Very high	90.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71.1	-41.8	-178.4	-64.7	-28.1	0	0	0	113	L703 V707 C715 L719 V725 P735 L736 A739 Q747 V748 C749 K753 R754 G755 A756	L703-F751 HydrophobicContact CD1-CE1 3.87Å; L703-F751 HydrophobicContact CD1-CZ 4Å; L703-F751 HydrophobicContact CD2-CE1 4.18Å; L703-F751 HydrophobicContact CG-CE1 4.33Å; L703-F751 HydrophobicContact CG-CZ 4.3Å; V707-F751 HydrophobicContact CG2-CE2 3.36Å; V707-F751 HydrophobicContact CG2-CZ 3.37Å; C715-F751 HydrophobicContact CB-CE1 4.1Å; C715-F751 HydrophobicContact CB-CZ 4.26Å; L719-F751 HydrophobicContact CD1-CD1 4.22Å; L719-F751 HydrophobicContact CD1-CE1 4.13Å; V725-F751 HydrophobicContact CG2-CB 3.99Å; V725-F751 HydrophobicContact CG2-CD1 3.75Å; V725-F751 HydrophobicContact CG2-CG 4.05Å; P735-F751 HydrophobicContact CB-CD2 4.08Å; P735-F751 HydrophobicContact CB-CE2 3.7Å; P735-F751 HydrophobicContact CB-CZ 3.98Å; L736-F751 HydrophobicContact CD1-CB 4.31Å; A739-F751 HydrophobicContact CB-CD2 4.18Å; A739-F751 HydrophobicContact CB-CE2 3.99Å; Q747-F751 HydrophobicContact CB-CE2 4.18Å; Q747-F751 VanDerWaalsContact O-CD2 3.23Å; Q747-F751 WeakPolarHBondContact O-CD2 3.33Å; Q747-F751 VanDerWaalsContact O-CG 3.24Å; Q747-F751 WeakPolarHBondContact O-CG 3.37Å; Q747-F751 PolarHBondContact O-N 3.32Å; V748-F751 PolarHBondContact O-N 3.41Å; C749-F751 PolarHBondContact O-N 3.33Å; F751-K753 VanDerWaalsContact C-N 3.32Å; F751-K753 PolarHBondContact O-N 3.06Å; F751-R754 CarbonylContact O-C 3.55Å; F751-R754 WeakPolarHBondContact O-CA 3.47Å; F751-R754 PolarHBondContact O-N 3.02Å; F751-G755 PolarHBondContact O-N 3Å; F751-A756 HydrophobicContact CB-CB 3.78Å; F751-A756 WeakPolarHBondContact O-CB 3.22Å; F751-A756 PolarHBondContact O-N 3.33Å
752	L	91.4	Very high	90.8	Very high	13 Å²	13	29.4 Å²	29.4	7%	0.068	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-43.7	174	-68.9	170.1	0	0	0	111.2	L736 V748 R754 G755 Q758 L783 L784 A787 F812	L736-L752 HydrophobicContact CD1-CD2 4.35Å; L736-L752 HydrophobicContact CD1-CG 4.22Å; L736-L752 HydrophobicContact CD2-CD2 3.92Å; V748-L752 HydrophobicContact CG1-CD1 3.76Å; V748-L752 HydrophobicContact CG1-CG 4.41Å; V748-L752 WeakPolarHBondContact O-CG 3.41Å; V748-L752 PolarHBondContact O-N 2.94Å; L752-R754 PolarHBondContact O-N 2.89Å; L752-R754 VanDerWaalsContact O-N 3.14Å; L752-G755 PolarHBondContact O-N 2.86Å; L752-Q758 HydrophobicContact CD2-CB 4.02Å; L752-L783 HydrophobicContact CD1-CB 4.15Å; L752-L784 HydrophobicContact CD1-CD2 3.96Å; L752-L784 HydrophobicContact CD1-CG 4.44Å; L752-L784 HydrophobicContact CD2-CD2 3.93Å; L752-L784 HydrophobicContact CG-CD2 4.44Å; L752-A787 HydrophobicContact CB-CB 4.43Å; L752-A787 HydrophobicContact CD1-CB 4.11Å; L752-A787 HydrophobicContact CD2-CB 4.02Å; L752-A787 HydrophobicContact CG-CB 4.41Å; L752-F812 HydrophobicContact CB-CE1 3.82Å; L752-F812 HydrophobicContact CB-CZ 4.16Å; L752-F812 HydrophobicContact CD1-CE1 4.38Å; L752-F812 HydrophobicContact CD1-CZ 4.13Å
753	K	87.7	Confident	91	Very high	47 Å²	47	31.5 Å²	31.5	20%	0.204	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-23.1	172.7	-171.6	179.8	-175.2	-173.6	0	113.9	E464 C749 F751 F812	E464-K753 VanDerWaalsContact OE1-CE 3.29Å; E464-K753 WeakPolarHBondContact OE1-CE 3.48Å; E464-K753 IonicContact OE1-NZ 2.77Å; E464-K753 PolarHBondContact OE1-NZ 3.36Å; E464-K753 IonicContact OE2-NZ 2.82Å; E464-K753 PolarHBondContact OE2-NZ 2.86Å; C749-K753 WeakPolarHBondContact O-CB 3.2Å; C749-K753 PolarHBondContact O-N 3.1Å; F751-K753 VanDerWaalsContact C-N 3.32Å; F751-K753 PolarHBondContact O-N 3.06Å; K753-F812 HydrophobicContact CB-CD1 4.42Å
754	R	89.3	Confident	91.1	Very high	71 Å²	71	36 Å²	36	27%	0.268	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.3	178.6	-63.2	-74.4	170.1	132.1	2.1	113.5	E464 E716 L719 Q720 V725 L750 F751 L752	E464-R754 IonicContact OE2-NH2 2.95Å; E716-R754 IonicContact OE1-CZ 3.21Å; E716-R754 IonicContact OE1-NH1 3.27Å; E716-R754 IonicContact OE1-NH2 2.7Å; E716-R754 PolarHBondContact OE1-NH2 3.02Å; E716-R754 IonicContact OE2-CZ 3.48Å; E716-R754 VanDerWaalsContact OE2-CZ 3.27Å; E716-R754 IonicContact OE2-NE 3.58Å; E716-R754 IonicContact OE2-NH1 3.72Å; E716-R754 IonicContact OE2-NH2 2.8Å; E716-R754 PolarHBondContact OE2-NH2 2.84Å; L719-R754 HydrophobicContact CD1-CG 4.04Å; L719-R754 HydrophobicContact CD2-CB 4.17Å; L719-R754 HydrophobicContact CD2-CG 4.16Å; Q720-R754 VanDerWaalsContact NE2-NH1 3.18Å; V725-R754 HydrophobicContact CG2-CB 4.49Å; L750-R754 HydrophobicContact CD1-CG 4.3Å; L750-R754 WeakPolarHBondContact O-CG 3.31Å; L750-R754 PolarHBondContact O-N 2.93Å; F751-R754 CarbonylContact O-C 3.55Å; F751-R754 WeakPolarHBondContact O-CA 3.47Å; F751-R754 PolarHBondContact O-N 3.02Å; L752-R754 PolarHBondContact O-N 2.89Å; L752-R754 VanDerWaalsContact O-N 3.14Å
755	G	88.4	Confident	91.2	Very high	52 Å²	52	42.3 Å²	42.3	54%	0.536	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	34.4	177.7	0	0	0	0	0	113.9	N726 F751 L752	N726-G755 PolarHBondContact ND2-O 2.99Å; N726-G755 VanDerWaalsContact ND2-O 3.09Å; F751-G755 PolarHBondContact O-N 3Å; L752-G755 PolarHBondContact O-N 2.86Å
756	A	92.9	Very high	91.3	Very high	9 Å²	9	45.3 Å²	45.3	7%	0.074	25%	0.251	C	S	.	.			trans	-66.6	135	170.1	0	0	0	0	0	111.6	V725 N726 L736 F751 Q758	V725-A756 HydrophobicContact CG1-CB 4.4Å; V725-A756 HydrophobicContact CG2-CB 3.98Å; N726-A756 VanDerWaalsContact OD1-CA 3.28Å; N726-A756 WeakPolarHBondContact OD1-CA 3.42Å; L736-A756 HydrophobicContact CB-CB 4.19Å; L736-A756 HydrophobicContact CD2-CB 3.92Å; F751-A756 HydrophobicContact CB-CB 3.78Å; F751-A756 WeakPolarHBondContact O-CB 3.22Å; F751-A756 PolarHBondContact O-N 3.33Å; A756-Q758 PolarHBondContact O-N 2.7Å
757	N	90.6	Very high	91.6	Very high	75 Å²	75	46.5 Å²	46.5	40%	0.401	26%	0.255	S	S	.	.			trans	-75.9	93.5	-178.5	-176.6	2.4	0	0	0	110.7	N726 N759 A760	N726-N757 PolarHBondContact OD1-N 3.02Å; N757-N759 PolarHBondContact O-N 3.32Å; N757-N759 WeakPolarHBondContact OD1-CA 3.48Å; N757-N759 WeakPolarHBondContact OD1-CB 3.4Å; N757-N759 PolarHBondContact OD1-N 2.99Å; N757-A760 HydrophobicContact CB-CB 4.25Å; N757-A760 WeakPolarHBondContact O-CB 3.29Å; N757-A760 PolarHBondContact O-N 3.06Å; N757-A760 PolarHBondContact OD1-N 3.45Å
758	Q	90.2	Very high	91.6	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.065	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.2	173.7	63.6	-169.1	-21.4	0	0	115	L736 L752 A756 L784 A787 K788 E791	L736-Q758 HydrophobicContact CD2-CB 4.24Å; L752-Q758 HydrophobicContact CD2-CB 4.02Å; A756-Q758 PolarHBondContact O-N 2.7Å; Q758-L784 HydrophobicContact CB-CD2 4.04Å; Q758-L784 PolarHBondContact OE1-O 3.01Å; Q758-A787 PolarHBondContact NE2-O 2.95Å; Q758-A787 VanDerWaalsContact OE1-CB 3.23Å; Q758-K788 VanDerWaalsContact NE2-CA 3.34Å; Q758-K788 VanDerWaalsContact OE1-N 3.15Å; Q758-E791 PolarHBondContact NE2-OE2 3.19Å
759	N	89.5	Confident	91.6	Very high	91 Å²	91	48.6 Å²	48.6	49%	0.487	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-2.3	179.5	-58.3	-56.3	0	0	0	112.8	N757 A761	N757-N759 PolarHBondContact O-N 3.32Å; N757-N759 WeakPolarHBondContact OD1-CA 3.48Å; N757-N759 WeakPolarHBondContact OD1-CB 3.4Å; N757-N759 PolarHBondContact OD1-N 2.99Å; N759-A761 PolarHBondContact O-N 3.13Å
760	A	89.6	Confident	91.7	Very high	18 Å²	18	50.3 Å²	50.3	15%	0.149	28%	0.279	C	S	.	.			trans	-64.8	131	174.5	0	0	0	0	0	110.4	H737 N757 P768	H737-A760 WeakPolarHBondContact CE1-CB 3.28Å; H737-A760 PolarHBondContact CE1-O 2.86Å; H737-A760 PolarHBondContact NE2-O 3.39Å; N757-A760 HydrophobicContact CB-CB 4.25Å; N757-A760 WeakPolarHBondContact O-CB 3.29Å; N757-A760 PolarHBondContact O-N 3.06Å; N757-A760 PolarHBondContact OD1-N 3.45Å; A760-P768 WeakPolarHBondContact O-CD 3.4Å
761	A	92	Very high	91.7	Very high	53 Å²	53	50.7 Å²	50.7	44%	0.438	28%	0.28	S	S	.	.			trans	-103.3	143.5	174.4	0	0	0	0	0	110.3	H737 N759 K766 T767	H737-A761 VanDerWaalsContact NE2-C 3.29Å; H737-A761 VanDerWaalsContact NE2-CA 3.32Å; H737-A761 WeakPolarHBondContact NE2-CA 3.4Å; N759-A761 PolarHBondContact O-N 3.13Å; A761-K766 WeakPolarHBondContact CA-O 3.21Å; A761-T767 HydrophobicContact CB-CG2 4.39Å
762	D	92.3	Very high	91.6	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.091	28%	0.28	C	S	.	.			trans	-82.9	-174.1	172.3	69.1	14.5	0	0	0	112.1	R733 H737 D764 E765 K766	R733-D762 HydrophobicContact CG-CB 3.53Å; H737-D762 PolarHBondContact NE2-N 2.92Å; D762-D764 PolarHBondContact O-N 3.32Å; D762-D764 WeakPolarHBondContact OD1-CA 3.37Å; D762-D764 PolarHBondContact OD1-N 3.19Å; D762-E765 PolarHBondContact O-N 3.15Å; D762-E765 PolarHBondContact OD1-N 3.2Å; D762-K766 PolarHBondContact N-O 3.24Å; D762-K766 WeakPolarHBondContact OD1-CB 3.33Å; D762-K766 PolarHBondContact OD1-N 3.45Å
763	I	93.9	Very high	91.6	Very high	114 Å²	114	53.9 Å²	53.9	59%	0.585	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.2	179.8	59.1	171.9	0	0	0	114.6	Q731 E765	Q731-I763 HydrophobicContact CB-CD1 4Å; Q731-I763 HydrophobicContact CB-CG1 4.26Å; Q731-I763 HydrophobicContact CG-CD1 4.1Å; Q731-I763 WeakPolarHBondContact O-CG1 3.29Å; Q731-I763 WeakPolarHBondContact O-CG2 3.3Å; Q731-I763 PolarHBondContact O-N 3.48Å; Q731-I763 VanDerWaalsContact O-N 3.15Å; I763-E765 VanDerWaalsContact C-N 3.3Å
764	D	91.8	Very high	91.6	Very high	116 Å²	116	57.1 Å²	57.1	62%	0.62	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	16.4	177.1	-65	-38.6	0	0	0	111.4	D762 K766	D762-D764 PolarHBondContact O-N 3.32Å; D762-D764 WeakPolarHBondContact OD1-CA 3.37Å; D762-D764 PolarHBondContact OD1-N 3.19Å; D764-K766 HydrophobicContact CB-CD 4.49Å; D764-K766 HydrophobicContact CB-CG 4.15Å; D764-K766 PolarHBondContact O-N 3.46Å
765	E	92.6	Very high	91.5	Very high	173 Å²	173	55.3 Å²	55.3	81%	0.808	32%	0.316	S	S	*	.	S	Bend	trans	59.4	18.8	-172.7	-57.7	-172	165.7	0	0	114.2	D762 I763	D762-E765 PolarHBondContact O-N 3.15Å; D762-E765 PolarHBondContact OD1-N 3.2Å; I763-E765 VanDerWaalsContact C-N 3.3Å
766	K	92.8	Very high	91.3	Very high	63 Å²	63	55.6 Å²	55.6	27%	0.274	31%	0.314	S	S	.	.			trans	-87.5	128.7	-177.6	-60.4	-169.4	177.8	-165.9	0	112.1	H737 A761 D762 D764 S770 I771 E774	H737-K766 PolarHBondContact NE2-O 3.01Å; A761-K766 WeakPolarHBondContact CA-O 3.21Å; D762-K766 PolarHBondContact N-O 3.24Å; D762-K766 WeakPolarHBondContact OD1-CB 3.33Å; D762-K766 PolarHBondContact OD1-N 3.45Å; D764-K766 HydrophobicContact CB-CD 4.49Å; D764-K766 HydrophobicContact CB-CG 4.15Å; D764-K766 PolarHBondContact O-N 3.46Å; K766-S770 WeakPolarHBondContact CA-OG 3.29Å; K766-I771 HydrophobicContact CB-CD1 4.28Å; K766-I771 HydrophobicContact CB-CG1 3.97Å; K766-I771 HydrophobicContact CD-CG1 4.4Å; K766-E774 WeakPolarHBondContact CE-OE1 3.22Å; K766-E774 VanDerWaalsContact NZ-CD 3.27Å; K766-E774 IonicContact NZ-OE1 2.82Å; K766-E774 PolarHBondContact NZ-OE1 2.97Å; K766-E774 IonicContact NZ-OE2 3.83Å; K766-E774 PolarHBondContact NZ-OE2 3.34Å
767	T	94.6	Very high	90.8	Very high	38 Å²	38	55.6 Å²	55.6	23%	0.233	31%	0.313	C	S	.	.			trans	-89.9	160.7	169.9	61.6	0	0	0	0	110.4	A761 L769 S770 I771	A761-T767 HydrophobicContact CB-CG2 4.39Å; T767-L769 PolarHBondContact O-N 3.47Å; T767-L769 VanDerWaalsContact O-N 3.15Å; T767-S770 PolarHBondContact N-OG 3.47Å; T767-S770 PolarHBondContact O-N 3.49Å; T767-S770 VanDerWaalsContact O-N 3.09Å; T767-S770 PolarHBondContact O-OG 3.12Å; T767-S770 PolarHBondContact OG1-N 3.49Å; T767-S770 PolarHBondContact OG1-OG 2.99Å; T767-I771 WeakPolarHBondContact O-CG1 3.4Å; T767-I771 PolarHBondContact O-N 3.3Å
768	P	94.4	Very high	90.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-50.8	-36.7	168.9	-28.3	35.9	0	0	0	112.6	L736 T740 A760 I771 A772 L784	L736-P768 HydrophobicContact CB-CG 4.49Å; L736-P768 HydrophobicContact CD2-CB 4.18Å; L736-P768 HydrophobicContact CD2-CG 3.83Å; L736-P768 HydrophobicContact CG-CB 4.03Å; L736-P768 HydrophobicContact CG-CG 3.85Å; T740-P768 WeakPolarHBondContact CG2-O 3.36Å; A760-P768 WeakPolarHBondContact O-CD 3.4Å; P768-I771 PolarHBondContact O-N 3.02Å; P768-A772 WeakPolarHBondContact O-CB 3.46Å; P768-A772 PolarHBondContact O-N 2.93Å; P768-L784 HydrophobicContact CB-CD1 4.02Å; P768-L784 HydrophobicContact CB-CD2 4.1Å
769	L	93.1	Very high	90.1	Very high	50 Å²	50	54.1 Å²	54.1	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-67.9	-41	178.3	-177.3	60.9	0	0	0	112.8	T767 A772 V773 V781 L784 R785	T767-L769 PolarHBondContact O-N 3.47Å; T767-L769 VanDerWaalsContact O-N 3.15Å; L769-A772 PolarHBondContact O-N 3.1Å; L769-V773 HydrophobicContact CD1-CG2 4.48Å; L769-V773 WeakPolarHBondContact O-CG2 3.45Å; L769-V773 PolarHBondContact O-N 3.44Å; L769-V773 VanDerWaalsContact O-N 3.09Å; L769-V781 HydrophobicContact CD1-CG1 4.21Å; L769-L784 HydrophobicContact CB-CD1 4.38Å; L769-L784 HydrophobicContact CD1-CB 4.08Å; L769-L784 HydrophobicContact CD1-CD1 4.49Å; L769-R785 HydrophobicContact CD1-CG 4.29Å
770	S	92.2	Very high	90.1	Very high	37 Å²	37	49.8 Å²	49.8	26%	0.259	29%	0.288	S	S	.	.	H	α-helix	trans	-67.7	-40.5	176	56.3	0	0	0	0	111.6	K766 T767 A772 V773 E774	K766-S770 WeakPolarHBondContact CA-OG 3.29Å; T767-S770 PolarHBondContact N-OG 3.47Å; T767-S770 PolarHBondContact O-N 3.49Å; T767-S770 VanDerWaalsContact O-N 3.09Å; T767-S770 PolarHBondContact O-OG 3.12Å; T767-S770 PolarHBondContact OG1-N 3.49Å; T767-S770 PolarHBondContact OG1-OG 2.99Å; S770-A772 PolarHBondContact O-N 2.8Å; S770-V773 PolarHBondContact O-N 3.32Å; S770-E774 WeakPolarHBondContact O-CG 3.43Å; S770-E774 PolarHBondContact O-N 2.96Å
771	I	91.8	Very high	90	Very high	13 Å²	13	49.8 Å²	49.8	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-44.3	174.8	-61	169.9	0	0	0	110.6	H737 T740 M741 K766 T767 P768 V773 E774 A775	H737-I771 HydrophobicContact CB-CD1 4.4Å; T740-I771 HydrophobicContact CG2-CB 4Å; T740-I771 HydrophobicContact CG2-CG2 3.83Å; M741-I771 HydrophobicContact CB-CG2 4.47Å; M741-I771 HydrophobicContact CG-CD1 4.25Å; M741-I771 HydrophobicContact CG-CG2 3.64Å; K766-I771 HydrophobicContact CB-CD1 4.28Å; K766-I771 HydrophobicContact CB-CG1 3.97Å; K766-I771 HydrophobicContact CD-CG1 4.4Å; T767-I771 WeakPolarHBondContact O-CG1 3.4Å; T767-I771 PolarHBondContact O-N 3.3Å; P768-I771 PolarHBondContact O-N 3.02Å; I771-V773 VanDerWaalsContact C-N 3.33Å; I771-V773 PolarHBondContact O-N 2.73Å; I771-E774 PolarHBondContact O-N 2.94Å; I771-A775 VanDerWaalsContact O-CB 3.28Å; I771-A775 WeakPolarHBondContact O-CB 3.49Å; I771-A775 PolarHBondContact O-N 3.13Å
772	A	92.7	Very high	89.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-37.2	178.8	0	0	0	0	0	113.1	T740 P768 L769 S770 A776 N777 I780 V781 L784	T740-A772 HydrophobicContact CG2-CB 3.74Å; P768-A772 WeakPolarHBondContact O-CB 3.46Å; P768-A772 PolarHBondContact O-N 2.93Å; L769-A772 PolarHBondContact O-N 3.1Å; S770-A772 PolarHBondContact O-N 2.8Å; A772-A776 PolarHBondContact O-N 2.95Å; A772-N777 PolarHBondContact O-N 2.77Å; A772-I780 HydrophobicContact CB-CB 4.27Å; A772-I780 HydrophobicContact CB-CG2 3.6Å; A772-V781 HydrophobicContact CB-CG2 3.64Å; A772-L784 HydrophobicContact CB-CD1 4.02Å
773	V	90.8	Very high	89.4	Confident	81 Å²	81	47 Å²	47	49%	0.491	27%	0.265	S	S	.	.	H	α-helix	trans	-70.4	-44.3	175.7	170.7	0	0	0	0	111.2	L769 S770 I771 A775 A776 V781	L769-V773 HydrophobicContact CD1-CG2 4.48Å; L769-V773 WeakPolarHBondContact O-CG2 3.45Å; L769-V773 PolarHBondContact O-N 3.44Å; L769-V773 VanDerWaalsContact O-N 3.09Å; S770-V773 PolarHBondContact O-N 3.32Å; I771-V773 VanDerWaalsContact C-N 3.33Å; I771-V773 PolarHBondContact O-N 2.73Å; V773-A775 VanDerWaalsContact C-N 3.35Å; V773-A775 PolarHBondContact O-N 3.1Å; V773-A776 PolarHBondContact O-N 3.29Å; V773-V781 HydrophobicContact CG2-CG1 4.41Å; V773-V781 HydrophobicContact CG2-CG2 3.77Å
774	E	89.1	Confident	89.2	Confident	115 Å²	115	41.8 Å²	41.8	54%	0.537	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-40.8	175.1	-74	178.8	-168.5	0	0	112.2	K766 S770 I771 A776	K766-E774 WeakPolarHBondContact CE-OE1 3.22Å; K766-E774 VanDerWaalsContact NZ-CD 3.27Å; K766-E774 IonicContact NZ-OE1 2.82Å; K766-E774 PolarHBondContact NZ-OE1 2.97Å; K766-E774 IonicContact NZ-OE2 3.83Å; K766-E774 PolarHBondContact NZ-OE2 3.34Å; S770-E774 WeakPolarHBondContact O-CG 3.43Å; S770-E774 PolarHBondContact O-N 2.96Å; I771-E774 PolarHBondContact O-N 2.94Å; E774-A776 PolarHBondContact O-N 3.5Å
775	A	85.3	Confident	89	Confident	32 Å²	32	41.7 Å²	41.7	26%	0.264	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-2.9	174.4	0	0	0	0	0	113.8	I771 V773 N777	I771-A775 VanDerWaalsContact O-CB 3.28Å; I771-A775 WeakPolarHBondContact O-CB 3.49Å; I771-A775 PolarHBondContact O-N 3.13Å; V773-A775 VanDerWaalsContact C-N 3.35Å; V773-A775 PolarHBondContact O-N 3.1Å; A775-N777 PolarHBondContact O-N 2.92Å
776	A	86.3	Confident	88.6	Confident	59 Å²	59	34 Å²	34	49%	0.488	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	25.8	-177.2	0	0	0	0	0	115.3	A772 V773 E774 A778 Y829	A772-A776 PolarHBondContact O-N 2.95Å; V773-A776 PolarHBondContact O-N 3.29Å; E774-A776 PolarHBondContact O-N 3.5Å; A776-A778 PolarHBondContact O-N 3.43Å; A776-Y829 PolarHBondContact O-OH 3.48Å
777	N	82.1	Confident	88.1	Confident	9 Å²	9	31.3 Å²	31.3	5%	0.048	18%	0.183	C	C	.	.			trans	-86.9	91.1	-177.2	-170.6	-32.4	0	0	0	111.5	A772 A775 D779 I780 V781	A772-N777 PolarHBondContact O-N 2.77Å; A775-N777 PolarHBondContact O-N 2.92Å; N777-D779 VanDerWaalsContact C-N 3.33Å; N777-D779 PolarHBondContact O-N 2.95Å; N777-D779 PolarHBondContact OD1-N 3.27Å; N777-I780 HydrophobicContact CB-CB 4.32Å; N777-I780 HydrophobicContact CB-CD1 4.39Å; N777-I780 VanDerWaalsContact ND2-CD1 3.31Å; N777-I780 WeakPolarHBondContact ND2-CD1 3.17Å; N777-I780 PolarHBondContact O-N 3.16Å; N777-I780 PolarHBondContact OD1-N 3.36Å; N777-V781 WeakPolarHBondContact O-CG2 3.35Å; N777-V781 PolarHBondContact O-N 2.85Å
778	A	82.3	Confident	87.6	Confident	46 Å²	46	33.6 Å²	33.6	38%	0.38	19%	0.189	S	C	.	.	H	α-helix	trans	-57.4	-36	-175.4	0	0	0	0	0	114.9	A776 V781 T782	A776-A778 PolarHBondContact O-N 3.43Å; A778-V781 PolarHBondContact O-N 3.06Å; A778-T782 WeakPolarHBondContact O-CB 3.42Å; A778-T782 PolarHBondContact O-N 3.06Å; A778-T782 PolarHBondContact O-OG1 3.37Å
779	D	83.4	Confident	86.9	Confident	11 Å²	11	36.1 Å²	36.1	6%	0.059	20%	0.202	C	C	.	.	H	α-helix	trans	-68.7	-43.7	-179.3	-61.7	-49.3	0	0	0	110.7	T745 N777 T782 L783 F815	T745-D779 HydrophobicContact CG2-CB 3.94Å; N777-D779 VanDerWaalsContact C-N 3.33Å; N777-D779 PolarHBondContact O-N 2.95Å; N777-D779 PolarHBondContact OD1-N 3.27Å; D779-T782 PolarHBondContact O-N 3.29Å; D779-L783 PolarHBondContact O-N 3.38Å; D779-F815 HydrophobicContact CB-CE1 4.37Å
780	I	88.7	Confident	86.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-41.7	175.8	-66	-179.8	0	0	0	111.3	T740 T745 V748 A772 N777 T782 L783 L784	T740-I780 HydrophobicContact CG2-CG2 3.91Å; T745-I780 HydrophobicContact CG2-CG1 4.25Å; V748-I780 HydrophobicContact CG1-CG2 4.21Å; V748-I780 HydrophobicContact CG2-CD1 4.06Å; V748-I780 HydrophobicContact CG2-CG1 4.31Å; V748-I780 HydrophobicContact CG2-CG2 4.27Å; A772-I780 HydrophobicContact CB-CB 4.27Å; A772-I780 HydrophobicContact CB-CG2 3.6Å; N777-I780 HydrophobicContact CB-CB 4.32Å; N777-I780 HydrophobicContact CB-CD1 4.39Å; N777-I780 VanDerWaalsContact ND2-CD1 3.31Å; N777-I780 WeakPolarHBondContact ND2-CD1 3.17Å; N777-I780 PolarHBondContact O-N 3.16Å; N777-I780 PolarHBondContact OD1-N 3.36Å; I780-T782 PolarHBondContact O-N 2.88Å; I780-L783 PolarHBondContact O-N 3.37Å; I780-L784 HydrophobicContact CG2-CD1 3.76Å; I780-L784 HydrophobicContact CG2-CG 4.4Å; I780-L784 WeakPolarHBondContact O-CB 3.31Å; I780-L784 WeakPolarHBondContact O-CG 3.44Å; I780-L784 PolarHBondContact O-N 2.91Å
781	V	88	Confident	85.4	Confident	18 Å²	18	35.7 Å²	35.7	11%	0.109	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-39.2	173.3	171	0	0	0	0	111.1	L769 A772 V773 N777 A778 R785	L769-V781 HydrophobicContact CD1-CG1 4.21Å; A772-V781 HydrophobicContact CB-CG2 3.64Å; V773-V781 HydrophobicContact CG2-CG1 4.41Å; V773-V781 HydrophobicContact CG2-CG2 3.77Å; N777-V781 WeakPolarHBondContact O-CG2 3.35Å; N777-V781 PolarHBondContact O-N 2.85Å; A778-V781 PolarHBondContact O-N 3.06Å; V781-R785 HydrophobicContact CG1-CG 4.5Å; V781-R785 WeakPolarHBondContact O-CB 3.35Å; V781-R785 VanDerWaalsContact O-CG 3.28Å; V781-R785 WeakPolarHBondContact O-CG 3.25Å; V781-R785 PolarHBondContact O-N 3.4Å
782	T	85.6	Confident	84.8	Confident	13 Å²	13	39.2 Å²	39.2	8%	0.08	21%	0.211	C	C	.	.	H	α-helix	trans	-67.9	-47.9	178.4	-55.4	0	0	0	0	111.4	F582 A778 D779 I780 L784 R785 L786	F582-T782 HydrophobicContact CE2-CG2 3.73Å; F582-T782 HydrophobicContact CZ-CG2 3.76Å; A778-T782 WeakPolarHBondContact O-CB 3.42Å; A778-T782 PolarHBondContact O-N 3.06Å; A778-T782 PolarHBondContact O-OG1 3.37Å; D779-T782 PolarHBondContact O-N 3.29Å; I780-T782 PolarHBondContact O-N 2.88Å; T782-L784 VanDerWaalsContact C-N 3.35Å; T782-L784 PolarHBondContact O-N 3.5Å; T782-R785 PolarHBondContact O-N 3.4Å; T782-L786 HydrophobicContact CG2-CD1 3.93Å; T782-L786 HydrophobicContact CG2-CG 4.37Å; T782-L786 WeakPolarHBondContact O-CB 3.32Å; T782-L786 VanDerWaalsContact O-CG 3.32Å; T782-L786 WeakPolarHBondContact O-CG 3.41Å; T782-L786 PolarHBondContact O-N 2.93Å
783	L	86.8	Confident	83.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-44.7	176.3	-73.6	172	0	0	0	112.6	T745 V748 C749 L752 D779 I780 L786 A787 F812 F815	T745-L783 HydrophobicContact CG2-CD1 3.7Å; V748-L783 HydrophobicContact CG1-CD1 4.34Å; C749-L783 HydrophobicContact CB-CD1 4.02Å; L752-L783 HydrophobicContact CD1-CB 4.15Å; D779-L783 PolarHBondContact O-N 3.38Å; I780-L783 PolarHBondContact O-N 3.37Å; L783-L786 PolarHBondContact O-N 3.39Å; L783-A787 WeakPolarHBondContact O-CB 3.45Å; L783-A787 PolarHBondContact O-N 2.96Å; L783-F812 HydrophobicContact CD2-CD2 4.41Å; L783-F812 HydrophobicContact CD2-CE1 4.24Å; L783-F812 HydrophobicContact CD2-CE2 3.89Å; L783-F812 HydrophobicContact CD2-CZ 3.8Å; L783-F815 HydrophobicContact CD1-CD1 4.32Å; L783-F815 HydrophobicContact CD2-CB 4.38Å; L783-F815 HydrophobicContact CD2-CD1 4.45Å; L783-F815 HydrophobicContact CD2-CD2 3.74Å; L783-F815 HydrophobicContact CD2-CE2 4.09Å; L783-F815 HydrophobicContact CD2-CG 3.94Å
784	L	89.5	Confident	82.7	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-38.1	179.1	-71	167.3	0	0	0	112.5	L736 L752 Q758 P768 L769 A772 I780 T782 K788	L736-L784 HydrophobicContact CD2-CD2 4.33Å; L752-L784 HydrophobicContact CD1-CD2 3.96Å; L752-L784 HydrophobicContact CD1-CG 4.44Å; L752-L784 HydrophobicContact CD2-CD2 3.93Å; L752-L784 HydrophobicContact CG-CD2 4.44Å; Q758-L784 HydrophobicContact CB-CD2 4.04Å; Q758-L784 PolarHBondContact OE1-O 3.01Å; P768-L784 HydrophobicContact CB-CD1 4.02Å; P768-L784 HydrophobicContact CB-CD2 4.1Å; L769-L784 HydrophobicContact CB-CD1 4.38Å; L769-L784 HydrophobicContact CD1-CB 4.08Å; L769-L784 HydrophobicContact CD1-CD1 4.49Å; A772-L784 HydrophobicContact CB-CD1 4.02Å; I780-L784 HydrophobicContact CG2-CD1 3.76Å; I780-L784 HydrophobicContact CG2-CG 4.4Å; I780-L784 WeakPolarHBondContact O-CB 3.31Å; I780-L784 WeakPolarHBondContact O-CG 3.44Å; I780-L784 PolarHBondContact O-N 2.91Å; T782-L784 VanDerWaalsContact C-N 3.35Å; T782-L784 PolarHBondContact O-N 3.5Å; L784-K788 WeakPolarHBondContact O-CB 3.24Å; L784-K788 PolarHBondContact O-N 3.38Å
785	R	87.1	Confident	81.8	Confident	115 Å²	115	47.7 Å²	47.7	43%	0.434	24%	0.24	S	C	.	.	H	α-helix	trans	-68	-39.5	174.5	-74.4	176.5	-180	-164.9	1	112.3	L769 V781 T782 K788 M789	L769-R785 HydrophobicContact CD1-CG 4.29Å; V781-R785 HydrophobicContact CG1-CG 4.5Å; V781-R785 WeakPolarHBondContact O-CB 3.35Å; V781-R785 VanDerWaalsContact O-CG 3.28Å; V781-R785 WeakPolarHBondContact O-CG 3.25Å; V781-R785 PolarHBondContact O-N 3.4Å; T782-R785 PolarHBondContact O-N 3.4Å; R785-K788 PolarHBondContact O-N 3.11Å; R785-M789 WeakPolarHBondContact O-CB 3.35Å; R785-M789 PolarHBondContact O-N 3.1Å
786	L	83.7	Confident	80.9	Confident	11 Å²	11	50.3 Å²	50.3	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-43.4	176.2	-72.9	171.6	0	0	0	112.1	L590 T782 L783 K788 M789 N790 I811 F812	L590-L786 HydrophobicContact CD2-CD2 4.13Å; T782-L786 HydrophobicContact CG2-CD1 3.93Å; T782-L786 HydrophobicContact CG2-CG 4.37Å; T782-L786 WeakPolarHBondContact O-CB 3.32Å; T782-L786 VanDerWaalsContact O-CG 3.32Å; T782-L786 WeakPolarHBondContact O-CG 3.41Å; T782-L786 PolarHBondContact O-N 2.93Å; L783-L786 PolarHBondContact O-N 3.39Å; L786-K788 VanDerWaalsContact C-N 3.34Å; L786-K788 PolarHBondContact O-N 3.35Å; L786-M789 HydrophobicContact CD2-CE 4.16Å; L786-M789 PolarHBondContact O-N 3.43Å; L786-N790 PolarHBondContact O-N 3.16Å; L786-I811 HydrophobicContact CD1-CD1 4.11Å; L786-I811 HydrophobicContact CD1-CG2 3.82Å; L786-I811 HydrophobicContact CD2-CD1 4.41Å; L786-F812 HydrophobicContact CB-CE2 4.47Å
787	A	83.5	Confident	79.6	Confident	7 Å²	7	51.2 Å²	51.2	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-38.6	175.4	0	0	0	0	0	112.2	L752 Q758 L783 E791 Y808 F812	L752-A787 HydrophobicContact CB-CB 4.43Å; L752-A787 HydrophobicContact CD1-CB 4.11Å; L752-A787 HydrophobicContact CD2-CB 4.02Å; L752-A787 HydrophobicContact CG-CB 4.41Å; Q758-A787 PolarHBondContact NE2-O 2.95Å; Q758-A787 VanDerWaalsContact OE1-CB 3.23Å; L783-A787 WeakPolarHBondContact O-CB 3.45Å; L783-A787 PolarHBondContact O-N 2.96Å; A787-E791 WeakPolarHBondContact O-CB 3.38Å; A787-E791 PolarHBondContact O-N 3.02Å; A787-E791 VanDerWaalsContact O-N 3.1Å; A787-Y808 HydrophobicContact CB-CE2 4.11Å; A787-F812 HydrophobicContact CB-CZ 4.37Å
788	K	83.1	Confident	78.3	Confident	85 Å²	85	53.2 Å²	53.2	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-46.2	171.5	178.9	167.8	175.8	165.6	0	112.6	Q758 L784 R785 L786 N790 E791 E792	Q758-K788 VanDerWaalsContact NE2-CA 3.34Å; Q758-K788 VanDerWaalsContact OE1-N 3.15Å; L784-K788 WeakPolarHBondContact O-CB 3.24Å; L784-K788 PolarHBondContact O-N 3.38Å; R785-K788 PolarHBondContact O-N 3.11Å; L786-K788 VanDerWaalsContact C-N 3.34Å; L786-K788 PolarHBondContact O-N 3.35Å; K788-N790 VanDerWaalsContact C-N 3.34Å; K788-N790 PolarHBondContact O-N 2.89Å; K788-E791 PolarHBondContact O-N 3.43Å; K788-E792 WeakPolarHBondContact CE-OE1 3.38Å; K788-E792 HydrophobicContact CG-CG 4.46Å; K788-E792 IonicContact NZ-OE1 2.67Å; K788-E792 WeakPolarHBondContact O-CG 3.42Å; K788-E792 PolarHBondContact O-N 3.21Å
789	M	79.4	Confident	76.8	Confident	53 Å²	53	57 Å²	57	26%	0.261	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-42.7	177.5	-175.7	-172.6	77.2	0	0	111.8	F594 R785 L786 E791 E792 M793	F594-M789 HydrophobicContact CE2-SD 4.36Å; F594-M789 HydrophobicContact CZ-CB 4.48Å; F594-M789 HydrophobicContact CZ-CG 4.18Å; R785-M789 WeakPolarHBondContact O-CB 3.35Å; R785-M789 PolarHBondContact O-N 3.1Å; L786-M789 HydrophobicContact CD2-CE 4.16Å; L786-M789 PolarHBondContact O-N 3.43Å; M789-E791 VanDerWaalsContact C-N 3.34Å; M789-E791 PolarHBondContact O-N 2.95Å; M789-E792 PolarHBondContact O-N 2.97Å; M789-M793 HydrophobicContact CE-SD 4.36Å; M789-M793 HydrophobicContact CG-CG 4.49Å; M789-M793 HydrophobicContact CG-SD 4.2Å; M789-M793 WeakPolarHBondContact O-CB 3.44Å; M789-M793 VanDerWaalsContact O-CG 3.3Å; M789-M793 WeakPolarHBondContact O-CG 3.15Å; M789-M793 PolarHBondContact O-N 2.95Å
790	N	78.6	Confident	75.2	Confident	21 Å²	21	67.1 Å²	67.1	11%	0.112	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-37.5	178.3	-167	35.1	0	0	0	112.1	L786 K788 M793 R794 Y808	L786-N790 PolarHBondContact O-N 3.16Å; K788-N790 VanDerWaalsContact C-N 3.34Å; K788-N790 PolarHBondContact O-N 2.89Å; N790-M793 PolarHBondContact O-N 3.2Å; N790-R794 VanDerWaalsContact O-CB 3.28Å; N790-R794 WeakPolarHBondContact O-CB 3.4Å; N790-R794 PolarHBondContact O-N 2.72Å; N790-Y808 HydrophobicContact CB-CD1 4.37Å; N790-Y808 HydrophobicContact CB-CD2 3.59Å; N790-Y808 HydrophobicContact CB-CE2 3.96Å; N790-Y808 HydrophobicContact CB-CG 3.82Å; N790-Y808 WeakPolarHBondContact ND2-CD1 3.25Å; N790-Y808 WeakPolarHBondContact ND2-CE1 3.37Å; N790-Y808 VanDerWaalsContact ND2-CG 3.28Å
791	E	76.4	Confident	73.2	Confident	58 Å²	58	71.3 Å²	71.3	27%	0.271	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-46.8	173.9	-177	150.7	-113.5	0	0	111.9	Q758 A787 K788 M789 M793 R794 E795	Q758-E791 PolarHBondContact NE2-OE2 3.19Å; A787-E791 WeakPolarHBondContact O-CB 3.38Å; A787-E791 PolarHBondContact O-N 3.02Å; A787-E791 VanDerWaalsContact O-N 3.1Å; K788-E791 PolarHBondContact O-N 3.43Å; M789-E791 VanDerWaalsContact C-N 3.34Å; M789-E791 PolarHBondContact O-N 2.95Å; E791-M793 PolarHBondContact O-N 3Å; E791-R794 PolarHBondContact O-N 2.97Å; E791-R794 IonicContact OE1-NH2 2.79Å; E791-R794 PolarHBondContact OE1-NH2 3.15Å; E791-E795 WeakPolarHBondContact O-CG 3.24Å; E791-E795 PolarHBondContact O-N 3.34Å
792	E	77.5	Confident	71.3	Confident	86 Å²	86	75.3 Å²	75.3	40%	0.402	39%	0.387	S	S	.	.	H	α-helix	trans	-63.1	-38.9	175.3	-71.1	178	175.6	0	0	112.5	K788 M789 E795 A796	K788-E792 WeakPolarHBondContact CE-OE1 3.38Å; K788-E792 HydrophobicContact CG-CG 4.46Å; K788-E792 IonicContact NZ-OE1 2.67Å; K788-E792 WeakPolarHBondContact O-CG 3.42Å; K788-E792 PolarHBondContact O-N 3.21Å; M789-E792 PolarHBondContact O-N 2.97Å; E792-E795 PolarHBondContact O-N 3.4Å; E792-A796 WeakPolarHBondContact O-CB 3.41Å; E792-A796 PolarHBondContact O-N 3.02Å
793	M	69.1	Low	69.2	Low	67 Å²	67	78.3 Å²	78.3	33%	0.33	41%	0.408	S	S	.	.	H	α-helix	trans	-65.6	-41.9	174.9	-75.6	-178.7	68.2	0	0	112.1	M789 N790 E791 E795 A796 E797	M789-M793 HydrophobicContact CE-SD 4.36Å; M789-M793 HydrophobicContact CG-CG 4.49Å; M789-M793 HydrophobicContact CG-SD 4.2Å; M789-M793 WeakPolarHBondContact O-CB 3.44Å; M789-M793 VanDerWaalsContact O-CG 3.3Å; M789-M793 WeakPolarHBondContact O-CG 3.15Å; M789-M793 PolarHBondContact O-N 2.95Å; N790-M793 PolarHBondContact O-N 3.2Å; E791-M793 PolarHBondContact O-N 3Å; M793-E795 VanDerWaalsContact C-N 3.28Å; M793-E795 PolarHBondContact O-N 3.48Å; M793-A796 PolarHBondContact O-N 3.42Å; M793-E797 PolarHBondContact O-N 3.21Å
794	R	71.3	Confident	67.4	Low	160 Å²	160	79.4 Å²	79.4	60%	0.604	42%	0.419	S	S	*	.	H	α-helix	trans	-67.4	-25.7	176.2	-172.7	-171.2	66.6	-160.2	-7	113	N790 E791	N790-R794 VanDerWaalsContact O-CB 3.28Å; N790-R794 WeakPolarHBondContact O-CB 3.4Å; N790-R794 PolarHBondContact O-N 2.72Å; E791-R794 PolarHBondContact O-N 2.97Å; E791-R794 IonicContact OE1-NH2 2.79Å; E791-R794 PolarHBondContact OE1-NH2 3.15Å
795	E	70.6	Confident	65.8	Low	147 Å²	147	83.3 Å²	83.3	69%	0.687	44%	0.44	S	S	*	.	H	α-helix	trans	-82.2	-29.7	172.6	-73	-178.9	-178.2	0	0	112.8	E791 E792 M793	E791-E795 WeakPolarHBondContact O-CG 3.24Å; E791-E795 PolarHBondContact O-N 3.34Å; E792-E795 PolarHBondContact O-N 3.4Å; M793-E795 VanDerWaalsContact C-N 3.28Å; M793-E795 PolarHBondContact O-N 3.48Å
796	A	65	Low	64.4	Low	87 Å²	87	83 Å²	83	72%	0.719	44%	0.443	S	S	*	.	H	α-helix	trans	-82.7	-37.7	178.8	0	0	0	0	0	113.6	E792 M793	E792-A796 WeakPolarHBondContact O-CB 3.41Å; E792-A796 PolarHBondContact O-N 3.02Å; M793-A796 PolarHBondContact O-N 3.42Å
797	E	59.2	Low	63.4	Low	79 Å²	79	86.8 Å²	86.8	37%	0.369	47%	0.467	S	S	.	.	S	Bend	trans	-94.3	107.9	175.2	-66.2	-169.4	-154.9	0	0	110.2	M793 N801	M793-E797 PolarHBondContact O-N 3.21Å; E797-N801 PolarHBondContact OE2-ND2 3.01Å
798	G	55.8	Low	62.7	Low	50 Å²	50	87.9 Å²	87.9	52%	0.515	47%	0.47	S	S	.	.			trans	-60.4	172.8	179.5	0	0	0	0	0	114.5	Y800	G798-Y800 PolarHBondContact O-N 2.99Å
799	P	50.7	Low	61.9	Low	127 Å²	127	87 Å²	87	83%	0.825	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	14.1	-152.8	-26	35.2	0	0	0	120.4
800	Y	49.1	Very low	61.4	Low	223 Å²	223	88.9 Å²	88.9	88%	0.875	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	11.7	-166.5	-73.9	-76	0	0	0	115.5	G798	G798-Y800 PolarHBondContact O-N 2.99Å
801	N	47.3	Very low	61	Low	88 Å²	88	89.8 Å²	89.8	47%	0.471	48%	0.483	S	S	.	.			trans	-131.4	118.2	175.6	-165.4	37.9	0	0	0	112.7	E797 S803	E797-N801 PolarHBondContact OE2-ND2 3.01Å; N801-S803 PolarHBondContact ND2-OG 3.4Å
802	P	47.2	Very low	60.9	Low	102 Å²	102	87.1 Å²	87.1	66%	0.662	47%	0.47	S	S	*	.			trans	-95.8	6.8	-174.8	36.3	-35	0	0	0	114.9	G804 D805	P802-G804 PolarHBondContact O-N 3.39Å; P802-D805 PolarHBondContact O-N 3.38Å
803	S	43	Very low	60.7	Low	76 Å²	76	87.5 Å²	87.5	53%	0.531	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.6	-164.4	50.9	0	0	0	0	116.6	N801	N801-S803 PolarHBondContact ND2-OG 3.4Å
804	G	48.3	Very low	60.9	Low	22 Å²	22	89.6 Å²	89.6	23%	0.227	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-21.7	176.4	0	0	0	0	0	114.6	P802	P802-G804 PolarHBondContact O-N 3.39Å
805	D	56	Low	61	Low	86 Å²	86	82.3 Å²	82.3	46%	0.46	46%	0.457	S	S	.	.	H	α-helix	trans	-78.6	-31.8	-164.8	-155.9	19.8	0	0	0	112.8	P802 T807 Y808 Q809	P802-D805 PolarHBondContact O-N 3.38Å; D805-T807 PolarHBondContact O-N 3.48Å; D805-Y808 PolarHBondContact O-N 2.6Å; D805-Q809 VanDerWaalsContact O-CB 3.23Å; D805-Q809 WeakPolarHBondContact O-CB 3.4Å; D805-Q809 PolarHBondContact O-N 2.7Å
806	E	58.4	Low	61.2	Low	107 Å²	107	75.7 Å²	75.7	50%	0.5	43%	0.427	S	S	.	.	H	α-helix	trans	-65.8	-38.6	-173.3	-65.3	-169.1	147	0	0	113.3	F285 Q809 D810	F285-E806 WeakPolarHBondContact CE2-OE2 3.3Å; F285-E806 WeakPolarHBondContact CZ-OE2 3.27Å; E806-Q809 PolarHBondContact O-N 2.93Å; E806-D810 WeakPolarHBondContact O-CB 3.42Å; E806-D810 PolarHBondContact O-N 2.97Å
807	T	61.8	Low	61.7	Low	91 Å²	91	76 Å²	76	56%	0.558	41%	0.413	S	S	*	.	H	α-helix	trans	-72.1	-37.8	178.6	-58.5	0	0	0	0	112.2	D805 Q809 I811	D805-T807 PolarHBondContact O-N 3.48Å; T807-Q809 VanDerWaalsContact C-N 3.35Å; T807-I811 HydrophobicContact CG2-CD1 4.17Å; T807-I811 WeakPolarHBondContact O-CG1 3.24Å; T807-I811 PolarHBondContact O-N 3.49Å; T807-I811 VanDerWaalsContact O-N 3.16Å
808	Y	67.9	Low	62.5	Low	30 Å²	30	74 Å²	74	12%	0.118	40%	0.404	C	S	.	.	H	α-helix	trans	-60.7	-47.8	171.9	173.4	-99.3	0	0	0	110.6	A787 N790 D805 D810 I811 F812	A787-Y808 HydrophobicContact CB-CE2 4.11Å; N790-Y808 HydrophobicContact CB-CD1 4.37Å; N790-Y808 HydrophobicContact CB-CD2 3.59Å; N790-Y808 HydrophobicContact CB-CE2 3.96Å; N790-Y808 HydrophobicContact CB-CG 3.82Å; N790-Y808 WeakPolarHBondContact ND2-CD1 3.25Å; N790-Y808 WeakPolarHBondContact ND2-CE1 3.37Å; N790-Y808 VanDerWaalsContact ND2-CG 3.28Å; D805-Y808 PolarHBondContact O-N 2.6Å; Y808-D810 PolarHBondContact O-N 3.03Å; Y808-I811 PolarHBondContact O-N 3.15Å; Y808-F812 AromaticContact CD2-CD2 3.91Å; Y808-F812 HydrophobicContact CD2-CD2 3.91Å; Y808-F812 AromaticContact CD2-CE2 3.81Å; Y808-F812 HydrophobicContact CD2-CE2 3.81Å; Y808-F812 HydrophobicContact CE1-CD2 4.28Å; Y808-F812 HydrophobicContact CE1-CG 4.46Å; Y808-F812 AromaticContact CE2-CD2 3.56Å; Y808-F812 HydrophobicContact CE2-CD2 3.56Å; Y808-F812 AromaticContact CE2-CE2 3.15Å; Y808-F812 HydrophobicContact CE2-CE2 3.15Å; Y808-F812 HydrophobicContact CE2-CG 4.42Å; Y808-F812 AromaticContact CE2-CZ 3.71Å; Y808-F812 HydrophobicContact CE2-CZ 3.71Å; Y808-F812 HydrophobicContact CG-CD2 4.39Å; Y808-F812 AromaticContact CZ-CD2 3.79Å; Y808-F812 AromaticContact CZ-CE2 3.58Å; Y808-F812 AromaticContact CZ-CZ 3.8Å; Y808-F812 WeakPolarHBondContact O-CB 3.34Å; Y808-F812 WeakPolarHBondContact O-CD2 3.24Å; Y808-F812 PolarHBondContact O-N 3.2Å; Y808-F812 WeakPolarHBondContact OH-CZ 3.37Å
809	Q	67.7	Low	63.3	Low	68 Å²	68	72.2 Å²	72.2	32%	0.318	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-33.1	-178.2	-172	64.5	3.8	0	0	113	D805 E806 T807 Q813	D805-Q809 VanDerWaalsContact O-CB 3.23Å; D805-Q809 WeakPolarHBondContact O-CB 3.4Å; D805-Q809 PolarHBondContact O-N 2.7Å; E806-Q809 PolarHBondContact O-N 2.93Å; T807-Q809 VanDerWaalsContact C-N 3.35Å; Q809-Q813 WeakPolarHBondContact O-CB 3.45Å; Q809-Q813 WeakPolarHBondContact O-CG 3.31Å; Q809-Q813 PolarHBondContact O-N 3.5Å; Q809-Q813 PolarHBondContact O-NE2 2.93Å
810	D	69.3	Low	64.3	Low	92 Å²	92	66.3 Å²	66.3	49%	0.492	35%	0.346	S	S	.	.	H	α-helix	trans	-70.3	-45.6	174.6	-81.9	-8.2	0	0	0	112.1	E806 Y808 F812 Q813 D814	E806-D810 WeakPolarHBondContact O-CB 3.42Å; E806-D810 PolarHBondContact O-N 2.97Å; Y808-D810 PolarHBondContact O-N 3.03Å; D810-F812 VanDerWaalsContact C-N 3.33Å; D810-F812 PolarHBondContact O-N 3.23Å; D810-Q813 WeakPolarHBondContact O-CB 3.49Å; D810-Q813 PolarHBondContact O-N 3.28Å; D810-Q813 PolarHBondContact OD1-NE2 3.1Å; D810-Q813 VanDerWaalsContact OD1-NE2 3.13Å; D810-D814 PolarHBondContact O-N 3.48Å
811	I	69.8	Low	65.5	Low	40 Å²	40	58.8 Å²	58.8	21%	0.205	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-44.1	176	-64.5	166.4	0	0	0	110.3	L786 T807 Y808 Q813 D814 F815	L786-I811 HydrophobicContact CD1-CD1 4.11Å; L786-I811 HydrophobicContact CD1-CG2 3.82Å; L786-I811 HydrophobicContact CD2-CD1 4.41Å; T807-I811 HydrophobicContact CG2-CD1 4.17Å; T807-I811 WeakPolarHBondContact O-CG1 3.24Å; T807-I811 PolarHBondContact O-N 3.49Å; T807-I811 VanDerWaalsContact O-N 3.16Å; Y808-I811 PolarHBondContact O-N 3.15Å; I811-Q813 VanDerWaalsContact C-N 3.34Å; I811-Q813 PolarHBondContact O-N 3.34Å; I811-D814 PolarHBondContact O-N 2.92Å; I811-F815 HydrophobicContact CG2-CD2 3.92Å; I811-F815 HydrophobicContact CG2-CE2 3.95Å; I811-F815 WeakPolarHBondContact O-CD2 3.36Å; I811-F815 PolarHBondContact O-N 3.49Å; I811-F815 VanDerWaalsContact O-N 3.08Å
812	F	73.7	Confident	66.6	Low	1 Å²	1	56.7 Å²	56.7	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-36.1	176.9	-90.8	-107.7	0	0	0	112.6	C749 L752 K753 L783 L786 A787 Y808 D810 F815 T816	C749-F812 WeakPolarHBondContact SG-CD1 3.21Å; L752-F812 HydrophobicContact CB-CE1 3.82Å; L752-F812 HydrophobicContact CB-CZ 4.16Å; L752-F812 HydrophobicContact CD1-CE1 4.38Å; L752-F812 HydrophobicContact CD1-CZ 4.13Å; K753-F812 HydrophobicContact CB-CD1 4.42Å; L783-F812 HydrophobicContact CD2-CD2 4.41Å; L783-F812 HydrophobicContact CD2-CE1 4.24Å; L783-F812 HydrophobicContact CD2-CE2 3.89Å; L783-F812 HydrophobicContact CD2-CZ 3.8Å; L786-F812 HydrophobicContact CB-CE2 4.47Å; A787-F812 HydrophobicContact CB-CZ 4.37Å; Y808-F812 AromaticContact CD2-CD2 3.91Å; Y808-F812 HydrophobicContact CD2-CD2 3.91Å; Y808-F812 AromaticContact CD2-CE2 3.81Å; Y808-F812 HydrophobicContact CD2-CE2 3.81Å; Y808-F812 HydrophobicContact CE1-CD2 4.28Å; Y808-F812 HydrophobicContact CE1-CG 4.46Å; Y808-F812 AromaticContact CE2-CD2 3.56Å; Y808-F812 HydrophobicContact CE2-CD2 3.56Å; Y808-F812 AromaticContact CE2-CE2 3.15Å; Y808-F812 HydrophobicContact CE2-CE2 3.15Å; Y808-F812 HydrophobicContact CE2-CG 4.42Å; Y808-F812 AromaticContact CE2-CZ 3.71Å; Y808-F812 HydrophobicContact CE2-CZ 3.71Å; Y808-F812 HydrophobicContact CG-CD2 4.39Å; Y808-F812 AromaticContact CZ-CD2 3.79Å; Y808-F812 AromaticContact CZ-CE2 3.58Å; Y808-F812 AromaticContact CZ-CZ 3.8Å; Y808-F812 WeakPolarHBondContact O-CB 3.34Å; Y808-F812 WeakPolarHBondContact O-CD2 3.24Å; Y808-F812 PolarHBondContact O-N 3.2Å; Y808-F812 WeakPolarHBondContact OH-CZ 3.37Å; D810-F812 VanDerWaalsContact C-N 3.33Å; D810-F812 PolarHBondContact O-N 3.23Å; F812-F815 PolarHBondContact O-N 3.33Å; F812-T816 WeakPolarHBondContact O-CB 3.29Å; F812-T816 PolarHBondContact O-N 2.98Å; F812-T816 PolarHBondContact O-OG1 3.15Å
813	Q	73.4	Confident	67.5	Low	95 Å²	95	54.4 Å²	54.4	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-41.4	171.4	-83.8	172.2	89.3	0	0	112.5	Q809 D810 I811 T816 H817	Q809-Q813 WeakPolarHBondContact O-CB 3.45Å; Q809-Q813 WeakPolarHBondContact O-CG 3.31Å; Q809-Q813 PolarHBondContact O-N 3.5Å; Q809-Q813 PolarHBondContact O-NE2 2.93Å; D810-Q813 WeakPolarHBondContact O-CB 3.49Å; D810-Q813 PolarHBondContact O-N 3.28Å; D810-Q813 PolarHBondContact OD1-NE2 3.1Å; D810-Q813 VanDerWaalsContact OD1-NE2 3.13Å; I811-Q813 VanDerWaalsContact C-N 3.34Å; I811-Q813 PolarHBondContact O-N 3.34Å; Q813-T816 WeakPolarHBondContact O-CB 3.4Å; Q813-T816 PolarHBondContact O-N 3.05Å; Q813-H817 WeakPolarHBondContact O-CB 3.35Å; Q813-H817 PolarHBondContact O-N 3.32Å
814	D	73.9	Confident	68.6	Low	111 Å²	111	57 Å²	57	59%	0.594	30%	0.303	S	S	*	.	H	α-helix	trans	-66.3	-44.9	177.5	-86.4	-16.5	0	0	0	111.9	D810 I811 T816 H817 M818	D810-D814 PolarHBondContact O-N 3.48Å; I811-D814 PolarHBondContact O-N 2.92Å; D814-T816 VanDerWaalsContact C-N 3.34Å; D814-T816 PolarHBondContact O-N 2.87Å; D814-H817 PolarHBondContact O-N 2.92Å; D814-M818 WeakPolarHBondContact O-CB 3.47Å; D814-M818 WeakPolarHBondContact O-CG 3.11Å; D814-M818 PolarHBondContact O-N 3.2Å
815	F	73.3	Confident	69.4	Low	6 Å²	6	60.7 Å²	60.7	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-39.5	174.2	-85.4	-81	0	0	0	112.8	F582 T745 C749 D779 L783 I811 F812 M818 A819 L826	F582-F815 HydrophobicContact CE2-CE2 4.46Å; F582-F815 HydrophobicContact CE2-CZ 4.13Å; F582-F815 AromaticContact CZ-CE2 3.91Å; F582-F815 HydrophobicContact CZ-CE2 3.91Å; F582-F815 HydrophobicContact CZ-CZ 4.05Å; T745-F815 HydrophobicContact CG2-CD1 4.18Å; T745-F815 HydrophobicContact CG2-CE1 4.2Å; C749-F815 HydrophobicContact CB-CB 4.42Å; D779-F815 HydrophobicContact CB-CE1 4.37Å; L783-F815 HydrophobicContact CD1-CD1 4.32Å; L783-F815 HydrophobicContact CD2-CB 4.38Å; L783-F815 HydrophobicContact CD2-CD1 4.45Å; L783-F815 HydrophobicContact CD2-CD2 3.74Å; L783-F815 HydrophobicContact CD2-CE2 4.09Å; L783-F815 HydrophobicContact CD2-CG 3.94Å; I811-F815 HydrophobicContact CG2-CD2 3.92Å; I811-F815 HydrophobicContact CG2-CE2 3.95Å; I811-F815 WeakPolarHBondContact O-CD2 3.36Å; I811-F815 PolarHBondContact O-N 3.49Å; I811-F815 VanDerWaalsContact O-N 3.08Å; F812-F815 PolarHBondContact O-N 3.33Å; F815-M818 HydrophobicContact CD1-CE 3.95Å; F815-M818 HydrophobicContact CE1-CE 4.19Å; F815-M818 HydrophobicContact CG-CE 4.15Å; F815-M818 PolarHBondContact O-N 2.95Å; F815-A819 VanDerWaalsContact O-CB 3.25Å; F815-A819 WeakPolarHBondContact O-CB 3.49Å; F815-A819 PolarHBondContact O-N 3.27Å; F815-L826 HydrophobicContact CD1-CD2 3.86Å; F815-L826 HydrophobicContact CE1-CD2 3.92Å
816	T	75	Confident	69.7	Low	9 Å²	9	56.8 Å²	56.8	6%	0.055	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-50.6	173.7	-66.1	0	0	0	0	110.3	P465 E466 F812 Q813 D814 M818 A819 S820	P465-T816 HydrophobicContact CG-CG2 4.33Å; E466-T816 VanDerWaalsContact OE1-CG2 3.24Å; E466-T816 WeakPolarHBondContact OE1-CG2 3.49Å; E466-T816 VanDerWaalsContact OE1-O 3.04Å; E466-T816 WeakPolarHBondContact OE2-CG2 3.47Å; F812-T816 WeakPolarHBondContact O-CB 3.29Å; F812-T816 PolarHBondContact O-N 2.98Å; F812-T816 PolarHBondContact O-OG1 3.15Å; Q813-T816 WeakPolarHBondContact O-CB 3.4Å; Q813-T816 PolarHBondContact O-N 3.05Å; D814-T816 VanDerWaalsContact C-N 3.34Å; D814-T816 PolarHBondContact O-N 2.87Å; T816-M818 VanDerWaalsContact C-N 3.34Å; T816-M818 PolarHBondContact O-N 3.07Å; T816-A819 PolarHBondContact O-N 2.92Å; T816-S820 PolarHBondContact O-N 3.12Å
817	H	74.9	Confident	69.5	Low	93 Å²	93	54.4 Å²	54.4	43%	0.431	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-37.9	177.7	-174.1	-75.2	0	0	0	112.7	Q813 D814 N821	Q813-H817 WeakPolarHBondContact O-CB 3.35Å; Q813-H817 PolarHBondContact O-N 3.32Å; D814-H817 PolarHBondContact O-N 2.92Å; H817-N821 PolarHBondContact CD2-ND2 3.21Å; H817-N821 VanDerWaalsContact CD2-ND2 3.29Å; H817-N821 PolarHBondContact CE1-ND2 2.97Å; H817-N821 PolarHBondContact NE2-ND2 3.23Å; H817-N821 VanDerWaalsContact NE2-ND2 3.13Å; H817-N821 VanDerWaalsContact O-CB 3.3Å; H817-N821 WeakPolarHBondContact O-CB 3.07Å; H817-N821 PolarHBondContact O-N 3.1Å; H817-N821 PolarHBondContact O-ND2 2.88Å
818	M	76.9	Confident	69.1	Low	37 Å²	37	55.7 Å²	55.7	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-49	173.5	-73	-171.7	-70.4	0	0	111.9	L581 D814 F815 T816 S820 N821 D822 L826	L581-M818 HydrophobicContact CD1-CE 4.43Å; L581-M818 HydrophobicContact CD1-SD 4.45Å; D814-M818 WeakPolarHBondContact O-CB 3.47Å; D814-M818 WeakPolarHBondContact O-CG 3.11Å; D814-M818 PolarHBondContact O-N 3.2Å; F815-M818 HydrophobicContact CD1-CE 3.95Å; F815-M818 HydrophobicContact CE1-CE 4.19Å; F815-M818 HydrophobicContact CG-CE 4.15Å; F815-M818 PolarHBondContact O-N 2.95Å; T816-M818 VanDerWaalsContact C-N 3.34Å; T816-M818 PolarHBondContact O-N 3.07Å; M818-S820 VanDerWaalsContact C-N 3.27Å; M818-S820 PolarHBondContact O-N 3.46Å; M818-N821 PolarHBondContact O-N 3.08Å; M818-D822 CarbonylContact O-C 3.45Å; M818-D822 WeakPolarHBondContact O-CA 3.46Å; M818-D822 PolarHBondContact O-N 3Å; M818-L826 HydrophobicContact CB-CD1 4.21Å; M818-L826 HydrophobicContact CB-CD2 4.36Å; M818-L826 HydrophobicContact CB-CG 4.26Å; M818-L826 HydrophobicContact CE-CD2 4.21Å; M818-L826 HydrophobicContact SD-CD2 4.45Å
819	A	71.9	Confident	68.1	Low	12 Å²	12	58.9 Å²	58.9	10%	0.099	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-36.5	-179.8	0	0	0	0	0	112.6	L712 F815 T816 L826	L712-A819 HydrophobicContact CD2-CB 3.85Å; F815-A819 VanDerWaalsContact O-CB 3.25Å; F815-A819 WeakPolarHBondContact O-CB 3.49Å; F815-A819 PolarHBondContact O-N 3.27Å; T816-A819 PolarHBondContact O-N 2.92Å; A819-L826 HydrophobicContact CB-CD1 3.73Å
820	S	72.1	Confident	66.7	Low	3 Å²	3	61.3 Å²	61.3	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-77.4	-53.1	173.1	-89.5	0	0	0	0	113.3	P465 E466 K469 T816 M818	P465-S820 WeakPolarHBondContact CB-OG 3.42Å; E466-S820 VanDerWaalsContact CD-OG 3.22Å; E466-S820 PolarHBondContact N-OG 3.28Å; E466-S820 WeakPolarHBondContact OE1-CB 3.45Å; E466-S820 PolarHBondContact OE1-OG 2.95Å; K469-S820 WeakPolarHBondContact CE-O 3.24Å; K469-S820 PolarHBondContact NZ-O 2.87Å; T816-S820 PolarHBondContact O-N 3.12Å; M818-S820 VanDerWaalsContact C-N 3.27Å; M818-S820 PolarHBondContact O-N 3.46Å
821	N	73.4	Confident	64.8	Low	65 Å²	65	65.7 Å²	65.7	35%	0.348	32%	0.319	S	S	.	.	H	α-helix	trans	-96.2	-19.8	-164.4	-62.8	-52.2	0	0	0	114.9	H817 M818	H817-N821 PolarHBondContact CD2-ND2 3.21Å; H817-N821 VanDerWaalsContact CD2-ND2 3.29Å; H817-N821 PolarHBondContact CE1-ND2 2.97Å; H817-N821 PolarHBondContact NE2-ND2 3.23Å; H817-N821 VanDerWaalsContact NE2-ND2 3.13Å; H817-N821 VanDerWaalsContact O-CB 3.3Å; H817-N821 WeakPolarHBondContact O-CB 3.07Å; H817-N821 PolarHBondContact O-N 3.1Å; H817-N821 PolarHBondContact O-ND2 2.88Å; M818-N821 PolarHBondContact O-N 3.08Å
822	D	71	Confident	62.9	Low	44 Å²	44	73.5 Å²	73.5	24%	0.235	35%	0.347	C	S	.	.			trans	-145.6	55.5	-178.3	-56.4	-64.3	0	0	0	111.1	M818 D824 K825	M818-D822 CarbonylContact O-C 3.45Å; M818-D822 WeakPolarHBondContact O-CA 3.46Å; M818-D822 PolarHBondContact O-N 3Å; D822-D824 PolarHBondContact O-N 2.78Å; D822-D824 VanDerWaalsContact O-N 3.1Å; D822-K825 HydrophobicContact CB-CD 3.58Å; D822-K825 HydrophobicContact CB-CG 3.99Å; D822-K825 WeakPolarHBondContact O-CB 3.47Å; D822-K825 PolarHBondContact O-N 2.97Å; D822-K825 IonicContact OD1-NZ 2.69Å; D822-K825 IonicContact OD2-NZ 2.68Å; D822-K825 PolarHBondContact OD2-NZ 3.08Å
823	P	66.8	Low	60.8	Low	54 Å²	54	77.8 Å²	77.8	35%	0.351	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-56.8	-31.8	-169.1	21.6	-33.8	0	0	0	114.3	K825 L826 N827	P823-K825 PolarHBondContact O-N 3.37Å; P823-K825 VanDerWaalsContact O-N 3.12Å; P823-L826 PolarHBondContact O-N 3.15Å; P823-N827 PolarHBondContact O-N 3.16Å
824	D	65.8	Low	58.9	Low	131 Å²	131	79 Å²	79	70%	0.701	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-58.5	-26.2	178.1	-53.4	-52.4	0	0	0	113.1	D822 L826 N827	D822-D824 PolarHBondContact O-N 2.78Å; D822-D824 VanDerWaalsContact O-N 3.1Å; D824-L826 PolarHBondContact O-N 3.07Å; D824-N827 PolarHBondContact O-N 3.41Å
825	K	65.4	Low	56.7	Low	99 Å²	99	82 Å²	82	43%	0.43	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-66.7	-23.9	176.8	-65.9	-179.9	-173.3	164.7	0	113.2	D822 P823 R828	D822-K825 HydrophobicContact CB-CD 3.58Å; D822-K825 HydrophobicContact CB-CG 3.99Å; D822-K825 WeakPolarHBondContact O-CB 3.47Å; D822-K825 PolarHBondContact O-N 2.97Å; D822-K825 IonicContact OD1-NZ 2.69Å; D822-K825 IonicContact OD2-NZ 2.68Å; D822-K825 PolarHBondContact OD2-NZ 3.08Å; P823-K825 PolarHBondContact O-N 3.37Å; P823-K825 VanDerWaalsContact O-N 3.12Å; K825-R828 PolarHBondContact O-NE 2.96Å
826	L	60.8	Low	54.4	Low	5 Å²	5	91.6 Å²	91.6	3%	0.026	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-21	176.5	-59.2	-179.7	0	0	0	112.2	L581 T745 F815 M818 A819 P823 D824 R828	L581-L826 HydrophobicContact CD1-CD2 4.21Å; T745-L826 HydrophobicContact CG2-CD1 4.48Å; T745-L826 HydrophobicContact CG2-CD2 4.41Å; F815-L826 HydrophobicContact CD1-CD2 3.86Å; F815-L826 HydrophobicContact CE1-CD2 3.92Å; M818-L826 HydrophobicContact CB-CD1 4.21Å; M818-L826 HydrophobicContact CB-CD2 4.36Å; M818-L826 HydrophobicContact CB-CG 4.26Å; M818-L826 HydrophobicContact CE-CD2 4.21Å; M818-L826 HydrophobicContact SD-CD2 4.45Å; A819-L826 HydrophobicContact CB-CD1 3.73Å; P823-L826 PolarHBondContact O-N 3.15Å; D824-L826 PolarHBondContact O-N 3.07Å; L826-R828 VanDerWaalsContact C-N 3.28Å; L826-R828 PolarHBondContact O-N 3.29Å
827	N	54.8	Low	52.6	Low	56 Å²	56	101 Å²	101	30%	0.299	49%	0.494	S	S	.	.			trans	-88.6	29.1	-179.4	-71.5	-9.8	0	0	0	113.8	P823 D824 Y829 Q830	P823-N827 PolarHBondContact O-N 3.16Å; D824-N827 PolarHBondContact O-N 3.41Å; N827-Y829 PolarHBondContact O-N 3.27Å; N827-Q830 PolarHBondContact O-N 2.94Å
828	R	53.6	Low	51.5	Low	118 Å²	118	101.4 Å²	101.4	45%	0.445	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-56.1	-14.4	-177.1	-67.1	-178.9	-176.6	-167.8	-4.6	115.1	D579 K825 L826	D579-R828 PolarHBondContact O-NH1 3.36Å; K825-R828 PolarHBondContact O-NE 2.96Å; L826-R828 VanDerWaalsContact C-N 3.28Å; L826-R828 PolarHBondContact O-N 3.29Å
829	Y	46.9	Very low	50.2	Low	98 Å²	98	104.7 Å²	104.7	38%	0.384	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-78.7	-13.2	177.9	-75.9	-89.1	0	0	0	114.8	A776 N827	A776-Y829 PolarHBondContact O-OH 3.48Å; N827-Y829 PolarHBondContact O-N 3.27Å
830	Q	38.8	Very low	49	Very low	119 Å²	119	109.9 Å²	109.9	56%	0.556	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-91.9	-7.1	-176.1	-71.8	179.6	-14.6	0	0	114.8	N827 Y832	N827-Q830 PolarHBondContact O-N 2.94Å; Q830-Y832 PolarHBondContact O-N 3.06Å
831	Q	29.4	Very low	47.6	Very low	184 Å²	184	116.2 Å²	116.2	86%	0.86	57%	0.567	S	S	*	*			trans	-97.1	71.9	173.3	-72.4	-171.3	-6.5	0	0	111.8
832	Y	30.2	Very low	46	Very low	203 Å²	203	119.4 Å²	119.4	80%	0.796	58%	0.58	S	S	*	*			trans	-124.6	86.5	160.4	-141.9	-83.1	0	0	0	109.5	Q830 P834	Q830-Y832 PolarHBondContact O-N 3.06Å; Y832-P834 VanDerWaalsContact O-CD 3.31Å; Y832-P834 WeakPolarHBondContact O-CD 3.35Å
833	D	28	Very low	44.4	Very low	92 Å²	92	124.4 Å²	124.4	49%	0.492	60%	0.603	S	S	.	*			trans	-70.2	117.6	173.6	179.3	2.1	0	0	0	109.5	Q835	D833-Q835 PolarHBondContact O-N 2.68Å; D833-Q835 PolarHBondContact OD1-N 3.22Å
834	P	33.5	Very low	42.8	Very low	120 Å²	120	129.4 Å²	129.4	78%	0.779	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-3.8	177.4	-15.8	31.7	0	0	0	113.9	Y832	Y832-P834 VanDerWaalsContact O-CD 3.31Å; Y832-P834 WeakPolarHBondContact O-CD 3.35Å
835	Q	28.3	Very low	41	Very low	174 Å²	174	129.3 Å²	129.3	81%	0.813	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	38.7	-172.7	-61.2	-164.7	-9	0	0	114.3	D833	D833-Q835 PolarHBondContact O-N 2.68Å; D833-Q835 PolarHBondContact OD1-N 3.22Å
836	R	25.7	Very low	39	Very low	208 Å²	208	131.8 Å²	131.8	79%	0.785	63%	0.631	S	S	*	*			trans	-114.1	132.2	156.1	-70.8	-171.4	178.7	-165.6	-1.9	110.8
837	P	37.5	Very low	37	Very low	205 Å²	205	143.4 Å²	143.4	100%	1.331	69%	0.686	S	S	*	*			trans	-72.1	0	-175.2	31.9	-37.1	0	0	0	113.5

Retrieved 837 of 837 residues in 529.3 ms (Link to these results)

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