A0A077ZCX7_TRITR Loading...

Cysteine--tRNA ligase, cytoplasmic

Involved in pre-60S ribosomal particles maturation by promoting the nuclear export of the 60S ribosome.

AlphaFold DB , UniProt , Accession A0A077ZCX7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 837 aa.

						>A0A077ZCX7_TRITR|A0A077ZCX7
MAQERGEPPKWTLPVNDPMCQLKLYNSLTRRKELFIPINGNQVTWYICGPTVYDVAHMGHARSYISFDILRRVLKDYFGYDVLYVMNITDIDDKIIKRARQKHLLEKYLQSEPSTQAFLNDVKNARQEYVAKMENEPNEDKKNMYRKQLEKLDTSLAAFENVFAQHDEATISLSKQQVVTAGADMLSEWLDSGQKGTVSDHSIFDALSRFYEEDFNKDMAALNVLPADVLTRVSEYVPEIVAFVEKIIQKGFAYEANGSVYFDTVAFGRAIGHRYGKLVPGAVADADLLQSAMREGEGELSIGVDRLQEKRNTSDFALWKASKPGEPFWESPWGYGRPGWHIECSVMATAICGQKLDIHSGGFDLRFPHHDNELAQTEAYYGIDQWVNYFLHAGTLKIAGLKMSKSLKNFITIKQCLKEYTARQLRLLFLMHNWSDTLDYSRQSMELAIQFERLCSEFFLTVSHYVRKHFDRCLSTSFVKLGRRELILQQHFKDAKFKVHKALCDSVDTRTALDTVRELVGQCNIYINEESEARRVPCCLLLRNVALYITKLMRIFGVTEMVEEIGKRERFFNCTDATNNISNALGFLDAGKGSASKEQLVMPYLNVLSEFRERVREEAREHKIGTLLEECDRLRDEILVDLGVRLEDRKGETVVKLVDRDELLKEREQKIRLEEEKRLRKEKLASVAEAKRKEKENQRRLPPNEMFLREKDKYSAFDRQGIPTHDFNGEEITMTKKQKTRKRKFKDMDQIHEELNRDIEDIKRGNFDEDLPGQGQHPCVECDRMFENDDVLKKHRKSKAHKRRVKNLARTPKYTQQEADAAAGLGTYCTPTKNDVM
					

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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	47	Very low	64.3	Low	243 Å²	243	168 Å²	168	100%	1.197	86%	0.857	S	S	*	*				0	107.4	0	-70.4	-177.9	-179	0	0	107	Q3	M1-Q3 PolarHBondContact O-N 2.82Å
2	A	51.8	Low	66.3	Low	100 Å²	100	163.8 Å²	163.8	83%	0.826	85%	0.845	S	S	*	*			trans	-67.2	115.7	179	0	0	0	0	0	108.1	E4	A2-E4 PolarHBondContact O-N 3.29Å
3	Q	52.8	Low	67.9	Low	187 Å²	187	160.6 Å²	160.6	87%	0.874	83%	0.83	S	S	*	*			trans	-60.5	104.2	165.3	-88.6	171.4	-29.8	0	0	106.9	M1 R5	M1-Q3 PolarHBondContact O-N 2.82Å; Q3-R5 PolarHBondContact O-N 3.14Å; Q3-R5 VanDerWaalsContact O-N 3.13Å
4	E	56.1	Low	69.1	Low	186 Å²	186	156.3 Å²	156.3	87%	0.869	82%	0.817	S	S	*	*			trans	-50	118.6	164.7	-72.4	177.2	162.6	0	0	107.3	A2 G6	A2-E4 PolarHBondContact O-N 3.29Å; E4-G6 VanDerWaalsContact C-N 3.28Å; E4-G6 PolarHBondContact O-N 3.16Å
5	R	55.4	Low	69.8	Low	247 Å²	247	155.3 Å²	155.3	93%	0.932	82%	0.82	S	S	*	*			trans	-64.9	95.3	172.9	-66.9	-178.1	-170.7	-170.8	2.9	106.3	Q3 E7	Q3-R5 PolarHBondContact O-N 3.14Å; Q3-R5 VanDerWaalsContact O-N 3.13Å; R5-E7 PolarHBondContact O-N 2.78Å
6	G	58.6	Low	69.7	Low	71 Å²	71	155 Å²	155	73%	0.732	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-55.5	125.3	-178.5	0	0	0	0	0	110.9	E4	E4-G6 VanDerWaalsContact C-N 3.28Å; E4-G6 PolarHBondContact O-N 3.16Å
7	E	68.9	Low	69.3	Low	183 Å²	183	151.6 Å²	151.6	86%	0.855	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-58.1	145	172.9	-73.5	-176.6	155	0	0	110.5	R5	R5-E7 PolarHBondContact O-N 2.78Å
8	P	70.1	Confident	69.2	Low	114 Å²	114	148.1 Å²	148.1	74%	0.74	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-59.7	147	172.8	25.6	-32.3	0	0	0	110.2
9	P	78.5	Confident	69.2	Low	122 Å²	122	148.5 Å²	148.5	79%	0.792	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-59	144.6	-179.3	25	-33.9	0	0	0	111	W11	P9-W11 PolarHBondContact O-N 2.79Å
10	K	80.7	Confident	69.8	Low	203 Å²	203	142.6 Å²	142.6	88%	0.883	76%	0.758	S	S	*	*			trans	-60.1	110.7	178.5	-169.6	175.7	-177.1	177.9	0	109.8	T12	K10-T12 PolarHBondContact O-N 2.86Å
11	W	87.9	Confident	70.8	Confident	192 Å²	192	140.7 Å²	140.7	73%	0.727	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-66.5	131.6	173.7	178.1	67.4	0	0	0	110	P9 L13	P9-W11 PolarHBondContact O-N 2.79Å; W11-L13 HydrophobicContact CH2-CB 4.46Å; W11-L13 HydrophobicContact CH2-CD1 3.27Å; W11-L13 HydrophobicContact CH2-CG 4.45Å; W11-L13 HydrophobicContact CZ2-CD1 4.08Å; W11-L13 HydrophobicContact CZ3-CB 4.37Å; W11-L13 HydrophobicContact CZ3-CD1 3.71Å
12	T	87.5	Confident	73.1	Confident	117 Å²	117	129.6 Å²	129.6	72%	0.718	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-99	120.5	175	-57.3	0	0	0	0	108.5	K10 P14	K10-T12 PolarHBondContact O-N 2.86Å; T12-P14 WeakPolarHBondContact O-CD 3.38Å
13	L	87.5	Confident	75.2	Confident	123 Å²	123	129.4 Å²	129.4	64%	0.644	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-62	123.1	177.5	-176	67.1	0	0	0	109.5	W11 V15	W11-L13 HydrophobicContact CH2-CB 4.46Å; W11-L13 HydrophobicContact CH2-CD1 3.27Å; W11-L13 HydrophobicContact CH2-CG 4.45Å; W11-L13 HydrophobicContact CZ2-CD1 4.08Å; W11-L13 HydrophobicContact CZ3-CB 4.37Å; W11-L13 HydrophobicContact CZ3-CD1 3.71Å; L13-V15 PolarHBondContact O-N 3.29Å
14	P	85.1	Confident	77.3	Confident	100 Å²	100	120.5 Å²	120.5	65%	0.649	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-62.4	132.2	174.5	-21.9	33.4	0	0	0	111	T12	T12-P14 WeakPolarHBondContact O-CD 3.38Å
15	V	79.5	Confident	79.2	Confident	142 Å²	142	114.4 Å²	114.4	86%	0.861	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-87.7	124.4	172.4	-177.4	0	0	0	0	108.3	L13	L13-V15 PolarHBondContact O-N 3.29Å
16	N	68.5	Low	81.2	Confident	150 Å²	150	102.9 Å²	102.9	80%	0.802	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-83.2	135.6	174.4	-162	10	0	0	0	109.6	P18	N16-P18 WeakPolarHBondContact O-CD 3.44Å
17	D	62.4	Low	82.9	Confident	98 Å²	98	99.5 Å²	99.5	52%	0.524	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-74.6	121.2	175.6	-174.9	-10.6	0	0	0	109.3	M19	D17-M19 PolarHBondContact O-N 3.36Å; D17-M19 WeakPolarHBondContact OD1-CB 3.28Å; D17-M19 VanDerWaalsContact OD1-CG 3.25Å; D17-M19 WeakPolarHBondContact OD1-CG 3.45Å; D17-M19 PolarHBondContact OD1-N 3.2Å; D17-M19 WeakPolarHBondContact OD2-CG 3.48Å
18	P	68.3	Low	84	Confident	88 Å²	88	93.3 Å²	93.3	57%	0.571	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-67.9	4.2	179.1	29.4	-36.1	0	0	0	114.1	N16 C20 Q21	N16-P18 WeakPolarHBondContact O-CD 3.44Å; P18-C20 PolarHBondContact O-N 3.11Å; P18-Q21 WeakPolarHBondContact O-CG 3.32Å
19	M	68.3	Low	85.2	Confident	155 Å²	155	90 Å²	90	76%	0.764	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-53.4	-23.7	-174.6	-94.3	-165.5	154.7	0	0	116.6	D17	D17-M19 PolarHBondContact O-N 3.36Å; D17-M19 WeakPolarHBondContact OD1-CB 3.28Å; D17-M19 VanDerWaalsContact OD1-CG 3.25Å; D17-M19 WeakPolarHBondContact OD1-CG 3.45Å; D17-M19 PolarHBondContact OD1-N 3.2Å; D17-M19 WeakPolarHBondContact OD2-CG 3.48Å
20	C	81.3	Confident	85.9	Confident	30 Å²	30	88.8 Å²	88.8	20%	0.203	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-114.4	50.8	-174.8	-62.4	0	0	0	0	113.3	P18 C504	P18-C20 PolarHBondContact O-N 3.11Å; C20-C504 PolarHBondContact O-SG 3.3Å
21	Q	90	Very high	86.5	Confident	104 Å²	104	86 Å²	86	49%	0.486	44%	0.435	S	S	.	.			trans	-82.3	141.8	170.5	-69.6	176.4	-35.2	0	0	111.7	P18 K23 L34	P18-Q21 WeakPolarHBondContact O-CG 3.32Å; Q21-K23 PolarHBondContact O-N 2.71Å; Q21-L34 HydrophobicContact CB-CD1 3.5Å; Q21-L34 HydrophobicContact CG-CD1 4.25Å
22	L	95.2	Very high	86.9	Confident	10 Å²	10	80.8 Å²	80.8	5%	0.052	42%	0.417	C	S	.	.			trans	-63.4	121.9	176.9	176.8	60.9	0	0	0	110.5	L24 F35 L74 F78 Y80 L503 V507	L22-L24 HydrophobicContact CD1-CD2 4.08Å; L22-L24 HydrophobicContact CG-CD2 4.45Å; L22-F35 HydrophobicContact CD2-CB 4.22Å; L22-F35 HydrophobicContact CD2-CD1 3.77Å; L22-F35 HydrophobicContact CD2-CG 4.26Å; L22-F35 HydrophobicContact CG-CB 4.04Å; L22-F35 HydrophobicContact CG-CD1 4.5Å; L22-F35 WeakPolarHBondContact O-CB 3.35Å; L22-F35 PolarHBondContact O-N 3.26Å; L22-L74 HydrophobicContact CD2-CD1 4.38Å; L22-L74 HydrophobicContact CD2-CG 4.35Å; L22-F78 HydrophobicContact CB-CE1 4.26Å; L22-F78 HydrophobicContact CB-CZ 4.27Å; L22-F78 HydrophobicContact CD1-CE2 3.83Å; L22-F78 HydrophobicContact CD1-CZ 3.93Å; L22-F78 HydrophobicContact CD2-CD2 4.01Å; L22-F78 HydrophobicContact CD2-CE2 4.1Å; L22-F78 HydrophobicContact CD2-CG 4.35Å; L22-F78 HydrophobicContact CG-CE2 4.41Å; L22-F78 HydrophobicContact CG-CZ 4.46Å; L22-Y80 HydrophobicContact CD2-CE2 3.87Å; L22-L503 WeakPolarHBondContact CD1-O 3.49Å; L22-V507 HydrophobicContact CD1-CG2 4.36Å
23	K	96.3	Very high	87.3	Confident	95 Å²	95	77.4 Å²	77.4	41%	0.413	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.1	169.3	-62.9	179.3	-179.1	179	0	109.3	Q21 K32 E33 C504 S506	Q21-K23 PolarHBondContact O-N 2.71Å; K23-K32 HydrophobicContact CB-CB 4.22Å; K23-E33 CarbonylContact C-O 3.55Å; K23-E33 WeakPolarHBondContact CA-O 3.45Å; K23-E33 WeakPolarHBondContact CB-O 3.31Å; K23-C504 PolarHBondContact N-O 3.34Å; K23-S506 WeakPolarHBondContact O-CA 3.16Å; K23-S506 PolarHBondContact O-N 3.11Å
24	L	96.9	Very high	87.7	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139	174	-63.9	179.9	0	0	0	109.9	L22 N26 K32 E33 F35 I358 L391 V507	L22-L24 HydrophobicContact CD1-CD2 4.08Å; L22-L24 HydrophobicContact CG-CD2 4.45Å; L24-N26 PolarHBondContact O-N 3.06Å; L24-K32 CarbonylContact O-C 3.39Å; L24-K32 WeakPolarHBondContact O-CA 3.47Å; L24-E33 PolarHBondContact N-O 3.25Å; L24-E33 PolarHBondContact O-N 2.94Å; L24-F35 HydrophobicContact CD1-CB 4.21Å; L24-F35 HydrophobicContact CD1-CD2 3.42Å; L24-F35 VanDerWaalsContact CD1-CD2 3.42Å; L24-F35 HydrophobicContact CD1-CE2 3.89Å; L24-F35 HydrophobicContact CD1-CG 3.84Å; L24-F35 HydrophobicContact CG-CB 4.12Å; L24-F35 HydrophobicContact CG-CD2 4.23Å; L24-F35 HydrophobicContact CG-CG 4.28Å; L24-I358 HydrophobicContact CD1-CD1 4.39Å; L24-L391 HydrophobicContact CB-CD2 4.25Å; L24-L391 HydrophobicContact CD1-CD1 4.43Å; L24-V507 HydrophobicContact CD2-CG2 4Å
25	Y	96.7	Very high	88.3	Confident	58 Å²	58	70.1 Å²	70.1	23%	0.227	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	107.2	170.4	-177	-96.1	0	0	0	110	R30 K32 L391 S506	Y25-R30 VanDerWaalsContact CE2-C 3.49Å; Y25-R30 WeakPolarHBondContact CE2-O 3.45Å; Y25-K32 HydrophobicContact CD2-CG 4.35Å; Y25-L391 WeakPolarHBondContact O-CD2 3.46Å; Y25-S506 WeakPolarHBondContact CB-OG 3.3Å; Y25-S506 PolarHBondContact N-OG 3.49Å
26	N	96.7	Very high	89.1	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.032	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	117	178.6	-171.1	-6.3	0	0	0	109.3	L24 L28 T29 R30 R31 E33 N388 Y389 F390	L24-N26 PolarHBondContact O-N 3.06Å; N26-L28 PolarHBondContact O-N 2.96Å; N26-L28 WeakPolarHBondContact OD1-CB 3.05Å; N26-L28 PolarHBondContact OD1-N 2.86Å; N26-T29 PolarHBondContact O-N 3.14Å; N26-R30 WeakPolarHBondContact O-CA 3.05Å; N26-R30 PolarHBondContact O-N 2.94Å; N26-R31 PolarHBondContact N-O 3.25Å; N26-E33 HydrophobicContact CB-CB 4.48Å; N26-E33 HydrophobicContact CB-CG 3.8Å; N26-N388 PolarHBondContact ND2-O 2.9Å; N26-Y389 HydrophobicContact CB-CD1 4.4Å; N26-F390 PolarHBondContact OD1-N 3.43Å
27	S	94.7	Very high	90.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-33.3	178.4	-57.3	0	0	0	0	111.1	T29 R30 R366 F390 H392	S27-T29 VanDerWaalsContact C-N 3.31Å; S27-T29 PolarHBondContact O-N 3.43Å; S27-R30 WeakPolarHBondContact O-CD 3.31Å; S27-R30 PolarHBondContact O-N 3.41Å; S27-R30 PolarHBondContact O-NH1 3.39Å; S27-R366 PolarHBondContact OG-NH2 3.44Å; S27-F390 VanDerWaalsContact CB-O 3.26Å; S27-F390 WeakPolarHBondContact CB-O 3.43Å; S27-F390 PolarHBondContact N-O 3.18Å; S27-F390 PolarHBondContact OG-O 3.29Å; S27-H392 WeakPolarHBondContact CB-ND1 3.41Å; S27-H392 PolarHBondContact OG-ND1 2.64Å
28	L	93.1	Very high	92	Very high	53 Å²	53	61 Å²	61	28%	0.277	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-41.1	178.6	-173.9	62.7	0	0	0	112.7	N26 K277 L278 F390	N26-L28 PolarHBondContact O-N 2.96Å; N26-L28 WeakPolarHBondContact OD1-CB 3.05Å; N26-L28 PolarHBondContact OD1-N 2.86Å; L28-K277 HydrophobicContact CD1-CB 4.02Å; L28-L278 HydrophobicContact CB-CD2 4.11Å; L28-L278 HydrophobicContact CD1-CD2 3.97Å; L28-L278 HydrophobicContact CD1-CG 4.33Å; L28-F390 HydrophobicContact CB-CD2 4.2Å
29	T	94	Very high	93.1	Very high	44 Å²	44	61.7 Å²	61.7	27%	0.27	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-6.1	-176.6	64.1	0	0	0	0	113.9	N26 S27 R31 E33	N26-T29 PolarHBondContact O-N 3.14Å; S27-T29 VanDerWaalsContact C-N 3.31Å; S27-T29 PolarHBondContact O-N 3.43Å; T29-R31 PolarHBondContact O-N 3.34Å; T29-R31 VanDerWaalsContact OG1-CG 3.28Å; T29-R31 WeakPolarHBondContact OG1-CG 3.38Å; T29-E33 VanDerWaalsContact CB-OE1 3.29Å; T29-E33 WeakPolarHBondContact CB-OE1 3.39Å; T29-E33 WeakPolarHBondContact CG2-OE1 3.2Å; T29-E33 WeakPolarHBondContact OG1-CG 3.24Å; T29-E33 PolarHBondContact OG1-OE1 2.82Å
30	R	92.5	Very high	94.3	Very high	97 Å²	97	57.1 Å²	57.1	37%	0.366	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	25.3	-177	-55.8	-65.7	-163.2	-118	-4.6	113.9	Y25 N26 S27 L278 R366	Y25-R30 VanDerWaalsContact CE2-C 3.49Å; Y25-R30 WeakPolarHBondContact CE2-O 3.45Å; N26-R30 WeakPolarHBondContact O-CA 3.05Å; N26-R30 PolarHBondContact O-N 2.94Å; S27-R30 WeakPolarHBondContact O-CD 3.31Å; S27-R30 PolarHBondContact O-N 3.41Å; S27-R30 PolarHBondContact O-NH1 3.39Å; R30-L278 VanDerWaalsContact CZ-O 3.32Å; R30-L278 PolarHBondContact NH1-O 2.98Å; R30-L278 PolarHBondContact NH2-O 3.36Å; R30-R366 VanDerWaalsContact CZ-NH1 3.3Å
31	R	95.2	Very high	94.9	Very high	145 Å²	145	59.6 Å²	59.6	55%	0.547	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	163.6	179.6	61.5	-178	-175.4	-111.6	-10.3	111.1	N26 T29 E33	N26-R31 PolarHBondContact N-O 3.25Å; T29-R31 PolarHBondContact O-N 3.34Å; T29-R31 VanDerWaalsContact OG1-CG 3.28Å; T29-R31 WeakPolarHBondContact OG1-CG 3.38Å; R31-E33 HydrophobicContact CG-CG 4.31Å; R31-E33 IonicContact CZ-OE1 3.47Å; R31-E33 VanDerWaalsContact NE-CD 3.3Å; R31-E33 IonicContact NE-OE1 2.78Å; R31-E33 PolarHBondContact NE-OE1 3.14Å; R31-E33 IonicContact NE-OE2 3.59Å; R31-E33 PolarHBondContact NE-OE2 3.38Å; R31-E33 IonicContact NH2-OE1 3.03Å; R31-E33 PolarHBondContact NH2-OE1 3.42Å; R31-E33 IonicContact NH2-OE2 3.64Å; R31-E33 PolarHBondContact O-N 3.25Å
32	K	95.9	Very high	95.3	Very high	82 Å²	82	59.2 Å²	59.2	36%	0.357	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	111.7	173.5	-58.8	-173.2	-174.1	-169.9	0	109.1	K23 L24 Y25 D505	K23-K32 HydrophobicContact CB-CB 4.22Å; L24-K32 CarbonylContact O-C 3.39Å; L24-K32 WeakPolarHBondContact O-CA 3.47Å; Y25-K32 HydrophobicContact CD2-CG 4.35Å; K32-D505 WeakPolarHBondContact CD-OD1 3.28Å; K32-D505 WeakPolarHBondContact CE-OD1 3.33Å; K32-D505 PolarHBondContact NZ-O 3.49Å; K32-D505 IonicContact NZ-OD1 2.66Å; K32-D505 PolarHBondContact NZ-OD1 2.6Å; K32-D505 IonicContact NZ-OD2 3.27Å; K32-D505 PolarHBondContact NZ-OD2 3.09Å
33	E	96.1	Very high	95.4	Very high	45 Å²	45	58.9 Å²	58.9	21%	0.21	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	146.9	-178.6	-60.8	-72.7	-163.5	0	0	110.3	K23 L24 N26 T29 R31 F35 Y389	K23-E33 CarbonylContact C-O 3.55Å; K23-E33 WeakPolarHBondContact CA-O 3.45Å; K23-E33 WeakPolarHBondContact CB-O 3.31Å; L24-E33 PolarHBondContact N-O 3.25Å; L24-E33 PolarHBondContact O-N 2.94Å; N26-E33 HydrophobicContact CB-CB 4.48Å; N26-E33 HydrophobicContact CB-CG 3.8Å; T29-E33 VanDerWaalsContact CB-OE1 3.29Å; T29-E33 WeakPolarHBondContact CB-OE1 3.39Å; T29-E33 WeakPolarHBondContact CG2-OE1 3.2Å; T29-E33 WeakPolarHBondContact OG1-CG 3.24Å; T29-E33 PolarHBondContact OG1-OE1 2.82Å; R31-E33 HydrophobicContact CG-CG 4.31Å; R31-E33 IonicContact CZ-OE1 3.47Å; R31-E33 VanDerWaalsContact NE-CD 3.3Å; R31-E33 IonicContact NE-OE1 2.78Å; R31-E33 PolarHBondContact NE-OE1 3.14Å; R31-E33 IonicContact NE-OE2 3.59Å; R31-E33 PolarHBondContact NE-OE2 3.38Å; R31-E33 IonicContact NH2-OE1 3.03Å; R31-E33 PolarHBondContact NH2-OE1 3.42Å; R31-E33 IonicContact NH2-OE2 3.64Å; R31-E33 PolarHBondContact O-N 3.25Å; E33-F35 PolarHBondContact O-N 2.94Å; E33-Y389 HydrophobicContact CB-CE1 3.98Å
34	L	95.7	Very high	95.5	Very high	62 Å²	62	55.7 Å²	55.7	33%	0.325	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	129	168.4	179.4	62.8	0	0	0	109.5	Q21 I36 Y389	Q21-L34 HydrophobicContact CB-CD1 3.5Å; Q21-L34 HydrophobicContact CG-CD1 4.25Å; L34-I36 HydrophobicContact CD2-CD1 3.81Å; L34-I36 HydrophobicContact CD2-CG1 4.17Å; L34-I36 HydrophobicContact CG-CD1 4.13Å; L34-I36 HydrophobicContact CG-CG1 3.99Å; L34-Y389 WeakPolarHBondContact O-CE1 3.43Å; L34-Y389 PolarHBondContact O-OH 3.13Å
35	F	96.9	Very high	95.6	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.035	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-86.3	116	179.2	-178.7	-111.3	0	0	0	110.7	L22 L24 E33 P37 V43 L74 Y80 I358 Y389	L22-F35 HydrophobicContact CD2-CB 4.22Å; L22-F35 HydrophobicContact CD2-CD1 3.77Å; L22-F35 HydrophobicContact CD2-CG 4.26Å; L22-F35 HydrophobicContact CG-CB 4.04Å; L22-F35 HydrophobicContact CG-CD1 4.5Å; L22-F35 WeakPolarHBondContact O-CB 3.35Å; L22-F35 PolarHBondContact O-N 3.26Å; L24-F35 HydrophobicContact CD1-CB 4.21Å; L24-F35 HydrophobicContact CD1-CD2 3.42Å; L24-F35 VanDerWaalsContact CD1-CD2 3.42Å; L24-F35 HydrophobicContact CD1-CE2 3.89Å; L24-F35 HydrophobicContact CD1-CG 3.84Å; L24-F35 HydrophobicContact CG-CB 4.12Å; L24-F35 HydrophobicContact CG-CD2 4.23Å; L24-F35 HydrophobicContact CG-CG 4.28Å; E33-F35 PolarHBondContact O-N 2.94Å; F35-P37 HydrophobicContact CD1-CG 4.47Å; F35-P37 HydrophobicContact CE1-CG 3.79Å; F35-P37 HydrophobicContact CZ-CG 4.06Å; F35-V43 HydrophobicContact CE1-CG2 4.02Å; F35-V43 HydrophobicContact CZ-CG1 3.95Å; F35-V43 HydrophobicContact CZ-CG2 3.8Å; F35-L74 HydrophobicContact CE1-CD2 4.02Å; F35-L74 HydrophobicContact CZ-CD2 4Å; F35-Y80 HydrophobicContact CD1-CE1 4.43Å; F35-Y80 HydrophobicContact CD1-CE2 4.03Å; F35-Y80 AromaticContact CD1-CZ 3.82Å; F35-Y80 HydrophobicContact CE1-CD1 4.41Å; F35-Y80 HydrophobicContact CE1-CD2 4.29Å; F35-Y80 HydrophobicContact CE1-CE1 4.06Å; F35-Y80 AromaticContact CE1-CE2 3.93Å; F35-Y80 HydrophobicContact CE1-CE2 3.93Å; F35-Y80 AromaticContact CE1-CZ 3.81Å; F35-I358 HydrophobicContact CE2-CD1 3.74Å; F35-I358 HydrophobicContact CE2-CG1 3.93Å; F35-I358 HydrophobicContact CZ-CD1 3.92Å; F35-I358 HydrophobicContact CZ-CG1 4.43Å; F35-Y389 WeakPolarHBondContact CA-OH 3.21Å; F35-Y389 HydrophobicContact CD2-CD1 4.43Å; F35-Y389 AromaticContact CD2-CD2 3.87Å; F35-Y389 HydrophobicContact CD2-CD2 3.87Å; F35-Y389 HydrophobicContact CD2-CE1 4.29Å; F35-Y389 AromaticContact CD2-CE2 3.73Å; F35-Y389 HydrophobicContact CD2-CE2 3.73Å; F35-Y389 HydrophobicContact CD2-CG 4.25Å; F35-Y389 AromaticContact CD2-CZ 3.96Å; F35-Y389 AromaticContact CE2-CD2 3.92Å; F35-Y389 HydrophobicContact CE2-CD2 3.92Å; F35-Y389 HydrophobicContact CE2-CE2 4.03Å
36	I	96	Very high	95.7	Very high	103 Å²	103	53 Å²	53	53%	0.528	27%	0.271	S	S	.	.			trans	-132.6	112	178.5	-58.2	174.1	0	0	0	107.2	L34 Y389	L34-I36 HydrophobicContact CD2-CD1 3.81Å; L34-I36 HydrophobicContact CD2-CG1 4.17Å; L34-I36 HydrophobicContact CG-CD1 4.13Å; L34-I36 HydrophobicContact CG-CG1 3.99Å; I36-Y389 PolarHBondContact N-OH 3.06Å
37	P	96.4	Very high	95.7	Very high	14 Å²	14	52.7 Å²	52.7	9%	0.091	27%	0.27	C	S	.	.			trans	-67.7	153.9	173.9	-16.1	29.5	0	0	0	112.2	F35 N39 G40 Q42 V43 Y80 D357	F35-P37 HydrophobicContact CD1-CG 4.47Å; F35-P37 HydrophobicContact CE1-CG 3.79Å; F35-P37 HydrophobicContact CZ-CG 4.06Å; P37-N39 VanDerWaalsContact C-N 3.3Å; P37-N39 PolarHBondContact O-N 3.13Å; P37-G40 WeakPolarHBondContact CG-O 3.43Å; P37-Q42 WeakPolarHBondContact CB-O 3.31Å; P37-V43 HydrophobicContact CB-CG2 4.09Å; P37-V43 HydrophobicContact CG-CG2 3.82Å; P37-Y80 HydrophobicContact CG-CD1 4.03Å; P37-Y80 HydrophobicContact CG-CE1 3.69Å; P37-D357 WeakPolarHBondContact CA-OD1 3.07Å
38	I	95	Very high	95.9	Very high	83 Å²	83	53 Å²	53	43%	0.426	27%	0.272	S	S	.	.	S	Bend	trans	-60.7	-40.8	178	-69.2	158.9	0	0	0	110.7	K355 D357 N388	I38-K355 HydrophobicContact CD1-CB 3.76Å; I38-D357 WeakPolarHBondContact CB-OD1 3.44Å; I38-D357 WeakPolarHBondContact CD1-OD1 3.25Å; I38-D357 WeakPolarHBondContact CG1-OD1 3.41Å; I38-D357 PolarHBondContact N-OD1 3.15Å; I38-N388 VanDerWaalsContact CG1-ND2 3.26Å; I38-N388 WeakPolarHBondContact CG1-ND2 3.48Å
39	N	93.1	Very high	96	Very high	102 Å²	102	51 Å²	51	55%	0.545	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-124.5	78.8	-174.6	-168.2	24.2	0	0	0	112.8	P37 N41 Q42	P37-N39 VanDerWaalsContact C-N 3.3Å; P37-N39 PolarHBondContact O-N 3.13Å; N39-N41 PolarHBondContact O-N 3.29Å; N39-Q42 HydrophobicContact CB-CB 4.48Å; N39-Q42 PolarHBondContact ND2-OE1 3.39Å; N39-Q42 WeakPolarHBondContact O-CB 3.45Å; N39-Q42 PolarHBondContact O-N 3.22Å
40	G	92.8	Very high	96.1	Very high	59 Å²	59	49.4 Å²	49.4	61%	0.608	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-111.9	172.6	0	0	0	0	0	112.5	P37	P37-G40 WeakPolarHBondContact CG-O 3.43Å
41	N	94.2	Very high	96.2	Very high	82 Å²	82	46.2 Å²	46.2	44%	0.439	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-3.1	-179.7	-164	52.8	0	0	0	113.7	N39 G79 Y80 D81	N39-N41 PolarHBondContact O-N 3.29Å; N41-G79 PolarHBondContact ND2-O 3.23Å; N41-Y80 VanDerWaalsContact OD1-CD1 3.31Å; N41-Y80 WeakPolarHBondContact OD1-CD1 3.46Å; N41-D81 PolarHBondContact O-N 2.9Å
42	Q	97.1	Very high	96.2	Very high	96 Å²	96	39.4 Å²	39.4	45%	0.449	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	135	-178.8	-64	-177.1	-31.2	0	0	110.8	P37 N39 D81	P37-Q42 WeakPolarHBondContact CB-O 3.31Å; N39-Q42 HydrophobicContact CB-CB 4.48Å; N39-Q42 PolarHBondContact ND2-OE1 3.39Å; N39-Q42 WeakPolarHBondContact O-CB 3.45Å; N39-Q42 PolarHBondContact O-N 3.22Å; Q42-D81 CarbonylContact C-O 3.49Å; Q42-D81 WeakPolarHBondContact CA-O 3.39Å; Q42-D81 HydrophobicContact CG-CB 4.37Å
43	V	98.2	Very high	96.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.2	-179.2	-179.4	0	0	0	0	109.4	F35 P37 Y80 D81 V82 L83 D357 I358	F35-V43 HydrophobicContact CE1-CG2 4.02Å; F35-V43 HydrophobicContact CZ-CG1 3.95Å; F35-V43 HydrophobicContact CZ-CG2 3.8Å; P37-V43 HydrophobicContact CB-CG2 4.09Å; P37-V43 HydrophobicContact CG-CG2 3.82Å; V43-Y80 HydrophobicContact CG2-CD1 3.9Å; V43-Y80 HydrophobicContact CG2-CG 4.02Å; V43-D81 PolarHBondContact N-O 3.23Å; V43-V82 HydrophobicContact CB-CG2 4.22Å; V43-V82 WeakPolarHBondContact O-CA 3.41Å; V43-L83 PolarHBondContact O-N 3.37Å; V43-D357 HydrophobicContact CG1-CB 4.15Å; V43-I358 HydrophobicContact CG1-CD1 3.81Å; V43-I358 HydrophobicContact CG1-CG1 4.24Å
44	T	98.3	Very high	95.9	Very high	29 Å²	29	37.3 Å²	37.3	18%	0.178	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.3	170	54.1	0	0	0	0	110.1	C352 L356 D357 I358	T44-C352 HydrophobicContact CG2-CB 4.36Å; T44-L356 WeakPolarHBondContact O-CD1 3.3Å; T44-D357 PolarHBondContact N-OD2 3.35Å; T44-D357 WeakPolarHBondContact O-CB 3.45Å; T44-D357 PolarHBondContact O-N 3.17Å; T44-D357 PolarHBondContact OG1-N 3.13Å; T44-D357 PolarHBondContact OG1-OD2 2.91Å; T44-I358 PolarHBondContact O-N 2.78Å
45	W	98.5	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.1	-176.5	-169.6	-28.9	0	0	0	110.6	F67 L70 R71 L74 V82 L83 Y84 V85 I358 S360 L391	W45-F67 HydrophobicContact CZ2-CB 4.33Å; W45-F67 AromaticContact CZ2-CD1 3.85Å; W45-F67 HydrophobicContact CZ2-CD1 3.85Å; W45-F67 HydrophobicContact CZ2-CG 4.43Å; W45-L70 HydrophobicContact CH2-CB 3.72Å; W45-L70 HydrophobicContact CH2-CD2 4.49Å; W45-L70 HydrophobicContact CZ3-CB 4.49Å; W45-R71 HydrophobicContact CZ3-CB 4.2Å; W45-L74 HydrophobicContact CZ3-CD2 4.09Å; W45-V82 HydrophobicContact CB-CG1 4.26Å; W45-V82 HydrophobicContact CE3-CG1 4.17Å; W45-L83 PolarHBondContact N-O 3.41Å; W45-Y84 HydrophobicContact CB-CD2 4.02Å; W45-Y84 AromaticContact CD1-CE2 3.81Å; W45-Y84 AromaticContact CD2-CD2 3.79Å; W45-Y84 HydrophobicContact CD2-CD2 3.79Å; W45-Y84 AromaticContact CD2-CE2 3.7Å; W45-Y84 HydrophobicContact CD2-CE2 3.7Å; W45-Y84 AromaticContact CE2-CE2 3.65Å; W45-Y84 HydrophobicContact CE3-CD2 4.19Å; W45-Y84 HydrophobicContact CE3-CE2 4.26Å; W45-Y84 AromaticContact CG-CD2 3.69Å; W45-Y84 HydrophobicContact CG-CD2 3.69Å; W45-Y84 AromaticContact CG-CE2 3.84Å; W45-Y84 HydrophobicContact CG-CE2 3.84Å; W45-Y84 HydrophobicContact CZ2-CE2 4.2Å; W45-Y84 AromaticContact NE1-CE2 3.71Å; W45-V85 PolarHBondContact O-N 2.92Å; W45-I358 WeakPolarHBondContact CA-O 3.41Å; W45-I358 HydrophobicContact CB-CB 4.23Å; W45-I358 HydrophobicContact CD2-CB 3.96Å; W45-I358 HydrophobicContact CD2-CD1 4.01Å; W45-I358 HydrophobicContact CD2-CG2 3.69Å; W45-I358 VanDerWaalsContact CE2-CG2 3.49Å; W45-I358 HydrophobicContact CE3-CD1 3.67Å; W45-I358 HydrophobicContact CE3-CG2 4.37Å; W45-I358 HydrophobicContact CG-CB 3.83Å; W45-I358 HydrophobicContact CG-CG2 3.85Å; W45-I358 HydrophobicContact CZ2-CG2 4.02Å; W45-I358 HydrophobicContact CZ3-CD1 3.99Å; W45-S360 PolarHBondContact NE1-OG 2.78Å; W45-L391 HydrophobicContact CH2-CD1 4.12Å; W45-L391 HydrophobicContact CZ2-CD1 3.97Å
46	Y	98.6	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.2	170.8	-171	-91.3	0	0	0	112.5	V85 N87 C344 M347 A348 I358 H359 S360	Y46-V85 WeakPolarHBondContact CA-O 3.48Å; Y46-V85 HydrophobicContact CD2-CB 3.88Å; Y46-V85 HydrophobicContact CD2-CG1 3.68Å; Y46-V85 HydrophobicContact CE2-CG1 3.94Å; Y46-N87 VanDerWaalsContact OH-CB 3.26Å; Y46-N87 WeakPolarHBondContact OH-CB 3.41Å; Y46-N87 VanDerWaalsContact OH-CG 3.32Å; Y46-N87 PolarHBondContact OH-OD1 2.88Å; Y46-C344 HydrophobicContact CE1-CB 3.98Å; Y46-C344 WeakPolarHBondContact OH-CA 3.28Å; Y46-M347 HydrophobicContact CE2-CB 4.38Å; Y46-A348 HydrophobicContact CD1-CB 3.9Å; Y46-A348 HydrophobicContact CD2-CB 3.45Å; Y46-A348 VanDerWaalsContact CD2-CB 3.45Å; Y46-A348 HydrophobicContact CE1-CB 4.07Å; Y46-A348 HydrophobicContact CE2-CB 3.64Å; Y46-A348 HydrophobicContact CG-CB 3.57Å; Y46-I358 PolarHBondContact N-O 3.44Å; Y46-H359 AromaticContact CD1-CE1 3.53Å; Y46-H359 AromaticContact CD1-ND1 3.66Å; Y46-H359 CarbonylContact O-C 3.44Å; Y46-H359 WeakPolarHBondContact O-CA 3.48Å; Y46-H359 PolarHBondContact O-ND1 2.65Å; Y46-H359 VanDerWaalsContact O-ND1 3.14Å; Y46-S360 PolarHBondContact O-N 2.85Å
47	I	98.2	Very high	95.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.5	173.6	-176.5	168	0	0	0	111.4	G49 Y64 F67 Y84 V85 M86 N87 S360	I47-G49 PolarHBondContact O-N 2.98Å; I47-Y64 HydrophobicContact CD1-CD1 3.95Å; I47-Y64 HydrophobicContact CD1-CE1 4.01Å; I47-F67 HydrophobicContact CD1-CB 3.96Å; I47-F67 HydrophobicContact CD1-CD2 3.33Å; I47-F67 HydrophobicContact CD1-CE2 4.06Å; I47-F67 HydrophobicContact CD1-CG 3.88Å; I47-F67 HydrophobicContact CG1-CD2 4.41Å; I47-Y84 WeakPolarHBondContact CD1-OH 3.4Å; I47-Y84 HydrophobicContact CG2-CD1 4.34Å; I47-Y84 HydrophobicContact CG2-CE1 3.47Å; I47-Y84 VanDerWaalsContact CG2-CE1 3.47Å; I47-Y84 HydrophobicContact CG2-CE2 4.39Å; I47-Y84 WeakPolarHBondContact CG2-OH 3.48Å; I47-V85 WeakPolarHBondContact CG2-O 3.31Å; I47-V85 PolarHBondContact N-O 3.38Å; I47-M86 HydrophobicContact CG2-CB 3.64Å; I47-M86 HydrophobicContact CG2-CG 3.83Å; I47-M86 HydrophobicContact CG2-SD 4.37Å; I47-M86 WeakPolarHBondContact O-CA 3.47Å; I47-N87 PolarHBondContact O-OD1 3.48Å; I47-S360 WeakPolarHBondContact CA-O 3.46Å; I47-S360 VanDerWaalsContact CB-OG 3.3Å; I47-S360 WeakPolarHBondContact CB-OG 3.48Å; I47-S360 WeakPolarHBondContact CG1-OG 3.28Å
48	C	97.9	Very high	95.2	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.034	18%	0.183	C	C	.	.			trans	-67.1	120.6	169.4	-60.4	0	0	0	0	110.5	Y64 N87 S360 L365 H370	C48-Y64 PolarHBondContact O-OH 2.99Å; C48-N87 WeakPolarHBondContact CA-OD1 3.26Å; C48-S360 PolarHBondContact N-O 3.16Å; C48-S360 VanDerWaalsContact N-O 3.07Å; C48-L365 HydrophobicContact CB-CD1 3.45Å; C48-L365 VanDerWaalsContact CB-CD1 3.45Å; C48-H370 PolarHBondContact SG-NE2 3.3Å
49	G	95.9	Very high	95	Very high	13 Å²	13	28.3 Å²	28.3	13%	0.134	17%	0.171	C	C	.	.			trans	-88.6	-170.6	176.3	0	0	0	0	0	114.1	I47 Y64 N87	I47-G49 PolarHBondContact O-N 2.98Å; G49-Y64 VanDerWaalsContact CA-OH 3.29Å; G49-Y64 WeakPolarHBondContact CA-OH 3.45Å; G49-N87 WeakPolarHBondContact CA-O 3.26Å; G49-N87 PolarHBondContact N-OD1 3.37Å
50	P	95.8	Very high	94.9	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.058	16%	0.155	C	C	.	.			trans	-80	150.9	-173.5	33.1	-37.9	0	0	0	112.7	V52 Y64 I88 T89 F215	P50-V52 HydrophobicContact CG-CG1 4.15Å; P50-Y64 WeakPolarHBondContact CD-OH 3.13Å; P50-Y64 VanDerWaalsContact N-OH 3.16Å; P50-I88 HydrophobicContact CG-CD1 3.97Å; P50-T89 PolarHBondContact O-N 2.93Å; P50-T89 VanDerWaalsContact O-N 3.09Å; P50-F215 HydrophobicContact CB-CD2 4.14Å; P50-F215 HydrophobicContact CB-CE2 4.11Å; P50-F215 HydrophobicContact CB-CZ 4.49Å; P50-F215 HydrophobicContact CG-CD1 3.82Å; P50-F215 HydrophobicContact CG-CD2 3.82Å; P50-F215 HydrophobicContact CG-CE1 3.8Å; P50-F215 HydrophobicContact CG-CE2 3.8Å; P50-F215 HydrophobicContact CG-CG 3.82Å; P50-F215 HydrophobicContact CG-CZ 3.79Å
51	T	95.2	Very high	95	Very high	31 Å²	31	22.9 Å²	22.9	19%	0.19	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-80.1	114.3	157.6	-43.4	0	0	0	0	109.2	Y53 T89 D92 I95	T51-Y53 VanDerWaalsContact C-N 3.32Å; T51-Y53 HydrophobicContact CG2-CD1 3.77Å; T51-Y53 HydrophobicContact CG2-CE1 4.35Å; T51-Y53 VanDerWaalsContact O-CD1 3.27Å; T51-Y53 WeakPolarHBondContact O-CD1 2.96Å; T51-Y53 PolarHBondContact O-N 3.06Å; T51-T89 WeakPolarHBondContact CA-O 3.49Å; T51-T89 HydrophobicContact CG2-CG2 4Å; T51-D92 HydrophobicContact CG2-CB 3.65Å; T51-I95 HydrophobicContact CG2-CD1 3.98Å; T51-I95 HydrophobicContact CG2-CG1 4.09Å
52	V	95.5	Very high	95	Very high	2 Å²	2	19 Å²	19	1%	0.012	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	61.5	-169.7	-70.8	0	0	0	0	113.1	P50 I88 T89 D90 I95 S208 E212	P50-V52 HydrophobicContact CG-CG1 4.15Å; V52-I88 HydrophobicContact CB-CG2 4.37Å; V52-I88 HydrophobicContact CG1-CG2 3.68Å; V52-I88 HydrophobicContact CG2-CG2 3.7Å; V52-T89 WeakPolarHBondContact CG2-O 3.39Å; V52-T89 PolarHBondContact N-O 3.37Å; V52-D90 HydrophobicContact CG2-CB 4.17Å; V52-I95 HydrophobicContact CG2-CD1 4.11Å; V52-S208 WeakPolarHBondContact CG2-O 3.43Å; V52-E212 HydrophobicContact CG1-CB 4.07Å
53	Y	92.7	Very high	94.9	Very high	42 Å²	42	15.3 Å²	15.3	17%	0.165	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-16.1	177.6	71.8	-84.2	0	0	0	114.4	T51 K94 Y211 K405	T51-Y53 VanDerWaalsContact C-N 3.32Å; T51-Y53 HydrophobicContact CG2-CD1 3.77Å; T51-Y53 HydrophobicContact CG2-CE1 4.35Å; T51-Y53 VanDerWaalsContact O-CD1 3.27Å; T51-Y53 WeakPolarHBondContact O-CD1 2.96Å; T51-Y53 PolarHBondContact O-N 3.06Å; Y53-K94 HydrophobicContact CD1-CB 3.99Å; Y53-K94 HydrophobicContact CD1-CD 4.28Å; Y53-K94 HydrophobicContact CD2-CB 4.11Å; Y53-K94 HydrophobicContact CE1-CB 4.3Å; Y53-K94 HydrophobicContact CE1-CD 3.78Å; Y53-K94 HydrophobicContact CE2-CB 4.42Å; Y53-K94 HydrophobicContact CE2-CD 4.44Å; Y53-K94 HydrophobicContact CG-CB 3.87Å; Y53-Y211 VanDerWaalsContact C-CD2 3.45Å; Y53-Y211 WeakPolarHBondContact O-CE2 3.29Å; Y53-K405 HydrophobicContact CE2-CD 4.23Å; Y53-K405 WeakPolarHBondContact OH-CD 3.25Å
54	D	91.9	Very high	94.9	Very high	40 Å²	40	16 Å²	16	21%	0.214	9%	0.094	C	C	.	.	S	Bend	trans	-163.6	164.7	-175.8	-170.1	23.3	0	0	0	110.7	K405	D54-K405 PolarHBondContact O-NZ 2.98Å
55	V	92.9	Very high	94.8	Very high	37 Å²	37	14.7 Å²	14.7	22%	0.224	9%	0.085	C	C	.	.			trans	-52.6	149.3	-177	-63.3	0	0	0	0	113.5	Y211 K405 F410 T412	V55-Y211 HydrophobicContact CG1-CE1 4.07Å; V55-K405 WeakPolarHBondContact O-CE 3.46Å; V55-K405 PolarHBondContact O-NZ 3.31Å; V55-F410 HydrophobicContact CG2-CE2 4.29Å; V55-T412 HydrophobicContact CB-CG2 4.45Å; V55-T412 HydrophobicContact CG2-CG2 3.59Å
56	A	93.4	Very high	94.7	Very high	6 Å²	6	14.8 Å²	14.8	5%	0.05	9%	0.086	C	C	.	.			trans	-78.6	148.1	177	0	0	0	0	0	112	H60 F215 T412 I413	A56-H60 HydrophobicContact CB-CB 4.46Å; A56-F215 HydrophobicContact CB-CD2 4.08Å; A56-T412 WeakPolarHBondContact O-CA 3.43Å; A56-I413 HydrophobicContact CB-CD1 3.67Å; A56-I413 HydrophobicContact CB-CG1 4.42Å; A56-I413 PolarHBondContact O-N 3.42Å; A56-I413 VanDerWaalsContact O-N 3.15Å
57	H	92	Very high	94.7	Very high	21 Å²	21	14.8 Å²	14.8	10%	0.097	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-122.5	171.5	-178.4	57.4	52.2	0	0	0	112.4	G59 H60 A61 M403 F410 I411	H57-G59 WeakPolarHBondContact ND1-CA 3.23Å; H57-G59 PolarHBondContact ND1-N 3.43Å; H57-G59 PolarHBondContact O-N 3.17Å; H57-G59 VanDerWaalsContact O-N 3.08Å; H57-H60 AromaticContact CD2-CE1 3.82Å; H57-H60 AromaticContact CE1-CD2 3.74Å; H57-H60 AromaticContact CE1-CE1 3.51Å; H57-H60 AromaticContact CE1-CG 3.83Å; H57-H60 AromaticContact CE1-ND1 3.71Å; H57-H60 AromaticContact CE1-NE2 3.51Å; H57-H60 AromaticContact CG-ND1 3.97Å; H57-H60 PolarHBondContact N-ND1 2.67Å; H57-H60 AromaticContact ND1-CE1 3.95Å; H57-H60 AromaticContact ND1-CG 3.9Å; H57-H60 PolarHBondContact ND1-N 2.9Å; H57-H60 AromaticContact ND1-ND1 3.73Å; H57-H60 AromaticContact NE2-CE1 3.42Å; H57-H60 PolarHBondContact NE2-CE1 3.41Å; H57-H60 AromaticContact NE2-ND1 3.96Å; H57-H60 AromaticContact NE2-NE2 3.65Å; H57-H60 WeakPolarHBondContact O-CA 3.01Å; H57-H60 WeakPolarHBondContact O-CB 3.13Å; H57-H60 PolarHBondContact O-N 2.86Å; H57-A61 PolarHBondContact O-N 3.29Å; H57-M403 HydrophobicContact CB-SD 4.23Å; H57-F410 HydrophobicContact CB-CB 4.04Å; H57-F410 HydrophobicContact CB-CD2 3.75Å; H57-F410 HydrophobicContact CB-CG 4.24Å; H57-I411 WeakPolarHBondContact CA-O 3.15Å; H57-I411 WeakPolarHBondContact CB-O 3.29Å
58	M	91.8	Very high	94.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.9	-27.4	-177.3	-75.6	-59.8	-66.9	0	0	114.4	A61 R62 L396 M403 I411 C416 L425 F429 Y440	M58-A61 PolarHBondContact O-N 3.41Å; M58-A61 HydrophobicContact SD-CB 4.25Å; M58-R62 PolarHBondContact O-N 2.9Å; M58-L396 HydrophobicContact CB-CD2 3.5Å; M58-L396 VanDerWaalsContact CB-CD2 3.5Å; M58-L396 WeakPolarHBondContact O-CD2 3.35Å; M58-M403 HydrophobicContact CB-CE 3.82Å; M58-M403 HydrophobicContact CB-SD 4.1Å; M58-I411 HydrophobicContact CG-CB 4.22Å; M58-I411 HydrophobicContact CG-CG2 4.21Å; M58-I411 PolarHBondContact N-O 3.47Å; M58-C416 HydrophobicContact CG-CB 4.03Å; M58-C416 HydrophobicContact SD-CB 3.53Å; M58-C416 VanDerWaalsContact SD-CB 3.53Å; M58-C416 VanDerWaalsContact SD-SG 3.64Å; M58-L425 HydrophobicContact CE-CD1 4.34Å; M58-L425 HydrophobicContact CE-CD2 3.97Å; M58-L425 HydrophobicContact SD-CD1 4.39Å; M58-F429 HydrophobicContact CE-CZ 3.92Å; M58-Y440 HydrophobicContact CE-CD2 4.48Å; M58-Y440 HydrophobicContact CE-CE2 4.3Å
59	G	90.2	Very high	94.6	Very high	18 Å²	18	14.8 Å²	14.8	19%	0.186	9%	0.086	C	C	.	.	H	α-helix	trans	-59.9	-40.9	168.7	0	0	0	0	0	114.1	H57 R62 S63	H57-G59 WeakPolarHBondContact ND1-CA 3.23Å; H57-G59 PolarHBondContact ND1-N 3.43Å; H57-G59 PolarHBondContact O-N 3.17Å; H57-G59 VanDerWaalsContact O-N 3.08Å; G59-R62 PolarHBondContact O-N 3.28Å; G59-S63 PolarHBondContact O-N 3.06Å; G59-S63 PolarHBondContact O-OG 2.9Å
60	H	92.6	Very high	94.7	Very high	45 Å²	45	14.2 Å²	14.2	21%	0.208	8%	0.08	C	C	.	.	H	α-helix	trans	-67.9	-43.9	173.6	-59.6	140	0	0	0	110.6	A56 H57 R62 S63 Y64	A56-H60 HydrophobicContact CB-CB 4.46Å; H57-H60 AromaticContact CD2-CE1 3.82Å; H57-H60 AromaticContact CE1-CD2 3.74Å; H57-H60 AromaticContact CE1-CE1 3.51Å; H57-H60 AromaticContact CE1-CG 3.83Å; H57-H60 AromaticContact CE1-ND1 3.71Å; H57-H60 AromaticContact CE1-NE2 3.51Å; H57-H60 AromaticContact CG-ND1 3.97Å; H57-H60 PolarHBondContact N-ND1 2.67Å; H57-H60 AromaticContact ND1-CE1 3.95Å; H57-H60 AromaticContact ND1-CG 3.9Å; H57-H60 PolarHBondContact ND1-N 2.9Å; H57-H60 AromaticContact ND1-ND1 3.73Å; H57-H60 AromaticContact NE2-CE1 3.42Å; H57-H60 PolarHBondContact NE2-CE1 3.41Å; H57-H60 AromaticContact NE2-ND1 3.96Å; H57-H60 AromaticContact NE2-NE2 3.65Å; H57-H60 WeakPolarHBondContact O-CA 3.01Å; H57-H60 WeakPolarHBondContact O-CB 3.13Å; H57-H60 PolarHBondContact O-N 2.86Å; H60-R62 VanDerWaalsContact C-N 3.26Å; H60-R62 PolarHBondContact O-N 2.97Å; H60-S63 PolarHBondContact O-N 3.06Å; H60-S63 VanDerWaalsContact O-N 3.15Å; H60-Y64 HydrophobicContact CB-CD2 3.99Å; H60-Y64 HydrophobicContact CB-CE2 3.87Å; H60-Y64 WeakPolarHBondContact O-CD2 2.99Å; H60-Y64 PolarHBondContact O-N 2.87Å
61	A	94.4	Very high	94.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-56.1	-42.6	176.7	0	0	0	0	0	111.7	H57 M58 I65 L222 I413 F429	H57-A61 PolarHBondContact O-N 3.29Å; M58-A61 PolarHBondContact O-N 3.41Å; M58-A61 HydrophobicContact SD-CB 4.25Å; A61-I65 WeakPolarHBondContact O-CB 3.05Å; A61-I65 VanDerWaalsContact O-CG1 3.25Å; A61-I65 WeakPolarHBondContact O-CG1 3.39Å; A61-I65 PolarHBondContact O-N 2.84Å; A61-L222 HydrophobicContact CB-CD1 3.7Å; A61-I413 HydrophobicContact CB-CD1 4.01Å; A61-I413 HydrophobicContact CB-CG1 4.04Å; A61-F429 HydrophobicContact CB-CE2 4.3Å
62	R	94.2	Very high	94.9	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-56.9	-52.2	175.2	174.2	56.5	173.2	-178.3	-1.5	111.4	M58 G59 H60 S66 L396 F429 N433 D436	M58-R62 PolarHBondContact O-N 2.9Å; G59-R62 PolarHBondContact O-N 3.28Å; H60-R62 VanDerWaalsContact C-N 3.26Å; H60-R62 PolarHBondContact O-N 2.97Å; R62-S66 VanDerWaalsContact O-CB 3.23Å; R62-S66 WeakPolarHBondContact O-CB 3.3Å; R62-S66 PolarHBondContact O-N 2.94Å; R62-S66 VanDerWaalsContact O-N 3.07Å; R62-S66 PolarHBondContact O-OG 3.49Å; R62-S66 VanDerWaalsContact O-OG 3.07Å; R62-L396 HydrophobicContact CB-CB 4.49Å; R62-F429 HydrophobicContact CB-CE1 4.39Å; R62-F429 HydrophobicContact CB-CE2 4.26Å; R62-F429 HydrophobicContact CB-CZ 3.99Å; R62-F429 PolarHBondContact NH1-O 3.27Å; R62-N433 PolarHBondContact NH2-O 3.18Å; R62-D436 PolarHBondContact NH2-O 3.37Å
63	S	94.9	Very high	94.9	Very high	19 Å²	19	12.7 Å²	12.7	13%	0.133	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-54.6	-179.6	-61.8	0	0	0	0	112.3	G59 H60 S66 F67	G59-S63 PolarHBondContact O-N 3.06Å; G59-S63 PolarHBondContact O-OG 2.9Å; H60-S63 PolarHBondContact O-N 3.06Å; H60-S63 VanDerWaalsContact O-N 3.15Å; S63-S66 PolarHBondContact O-N 3.44Å; S63-F67 WeakPolarHBondContact O-CD2 3.21Å; S63-F67 PolarHBondContact O-N 3.47Å
64	Y	97.1	Very high	95.2	Very high	17 Å²	17	10.8 Å²	10.8	7%	0.067	6%	0.061	C	C	.	.	H	α-helix	trans	-70	-36.9	-173.6	-64.1	-61	0	0	0	113.1	I47 C48 G49 P50 H60 D68 M86 F215 M219	I47-Y64 HydrophobicContact CD1-CD1 3.95Å; I47-Y64 HydrophobicContact CD1-CE1 4.01Å; C48-Y64 PolarHBondContact O-OH 2.99Å; G49-Y64 VanDerWaalsContact CA-OH 3.29Å; G49-Y64 WeakPolarHBondContact CA-OH 3.45Å; P50-Y64 WeakPolarHBondContact CD-OH 3.13Å; P50-Y64 VanDerWaalsContact N-OH 3.16Å; H60-Y64 HydrophobicContact CB-CD2 3.99Å; H60-Y64 HydrophobicContact CB-CE2 3.87Å; H60-Y64 WeakPolarHBondContact O-CD2 2.99Å; H60-Y64 PolarHBondContact O-N 2.87Å; Y64-D68 VanDerWaalsContact O-CB 3.26Å; Y64-D68 WeakPolarHBondContact O-CB 3.04Å; Y64-D68 PolarHBondContact O-N 2.89Å; Y64-M86 HydrophobicContact CE1-SD 4.12Å; Y64-F215 AromaticContact CD2-CE2 3.79Å; Y64-F215 HydrophobicContact CD2-CE2 3.79Å; Y64-F215 AromaticContact CD2-CZ 3.78Å; Y64-F215 HydrophobicContact CD2-CZ 3.78Å; Y64-F215 HydrophobicContact CE1-CZ 4.34Å; Y64-F215 AromaticContact CE2-CE2 3.46Å; Y64-F215 HydrophobicContact CE2-CE2 3.46Å; Y64-F215 VanDerWaalsContact CE2-CE2 3.46Å; Y64-F215 AromaticContact CE2-CZ 3.53Å; Y64-F215 HydrophobicContact CE2-CZ 3.53Å; Y64-F215 HydrophobicContact CG-CZ 4.32Å; Y64-F215 AromaticContact CZ-CZ 3.86Å; Y64-M219 HydrophobicContact CD2-CE 4.28Å; Y64-M219 HydrophobicContact CD2-SD 3.85Å; Y64-M219 HydrophobicContact CG-SD 3.94Å
65	I	96.8	Very high	95.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.9	-40.9	173.7	-65.9	-179.9	0	0	0	110.8	A61 F67 D68 I69 L222 V224 R426 F429	A61-I65 WeakPolarHBondContact O-CB 3.05Å; A61-I65 VanDerWaalsContact O-CG1 3.25Å; A61-I65 WeakPolarHBondContact O-CG1 3.39Å; A61-I65 PolarHBondContact O-N 2.84Å; I65-F67 PolarHBondContact O-N 2.93Å; I65-D68 PolarHBondContact O-N 2.85Å; I65-I69 HydrophobicContact CG2-CD1 3.7Å; I65-I69 HydrophobicContact CG2-CG1 4.28Å; I65-I69 WeakPolarHBondContact O-CD1 3.28Å; I65-I69 VanDerWaalsContact O-CG1 3.26Å; I65-I69 WeakPolarHBondContact O-CG1 3.37Å; I65-I69 PolarHBondContact O-N 2.71Å; I65-L222 HydrophobicContact CD1-CB 4.09Å; I65-L222 HydrophobicContact CD1-CD1 4.14Å; I65-L222 HydrophobicContact CD1-CD2 4.13Å; I65-L222 HydrophobicContact CD1-CG 4.35Å; I65-L222 HydrophobicContact CG1-CB 4.42Å; I65-V224 HydrophobicContact CG1-CG2 3.84Å; I65-R426 HydrophobicContact CG2-CB 4.44Å; I65-R426 HydrophobicContact CG2-CG 4.07Å; I65-F429 HydrophobicContact CB-CD2 3.78Å; I65-F429 HydrophobicContact CB-CE2 4.25Å; I65-F429 HydrophobicContact CD1-CD2 3.88Å; I65-F429 HydrophobicContact CD1-CE2 3.82Å; I65-F429 HydrophobicContact CG1-CD2 4.37Å; I65-F429 HydrophobicContact CG1-CE2 4.47Å; I65-F429 HydrophobicContact CG2-CB 4.41Å; I65-F429 HydrophobicContact CG2-CD2 3.77Å
66	S	96.8	Very high	95.4	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.021	6%	0.057	C	C	.	.	H	α-helix	trans	-58.7	-47.9	176.4	-77.7	0	0	0	0	111.4	R62 S63 I69 L70	R62-S66 VanDerWaalsContact O-CB 3.23Å; R62-S66 WeakPolarHBondContact O-CB 3.3Å; R62-S66 PolarHBondContact O-N 2.94Å; R62-S66 VanDerWaalsContact O-N 3.07Å; R62-S66 PolarHBondContact O-OG 3.49Å; R62-S66 VanDerWaalsContact O-OG 3.07Å; S63-S66 PolarHBondContact O-N 3.44Å; S66-I69 PolarHBondContact O-N 2.88Å; S66-L70 WeakPolarHBondContact O-CD1 3.33Å; S66-L70 PolarHBondContact O-N 3.26Å
67	F	97.7	Very high	95.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-71.8	-30.1	178.2	-63.7	-55.2	0	0	0	113.6	W45 I47 S63 I65 L70 R71 Y84 G361 L391 A393	W45-F67 HydrophobicContact CZ2-CB 4.33Å; W45-F67 AromaticContact CZ2-CD1 3.85Å; W45-F67 HydrophobicContact CZ2-CD1 3.85Å; W45-F67 HydrophobicContact CZ2-CG 4.43Å; I47-F67 HydrophobicContact CD1-CB 3.96Å; I47-F67 HydrophobicContact CD1-CD2 3.33Å; I47-F67 HydrophobicContact CD1-CE2 4.06Å; I47-F67 HydrophobicContact CD1-CG 3.88Å; I47-F67 HydrophobicContact CG1-CD2 4.41Å; S63-F67 WeakPolarHBondContact O-CD2 3.21Å; S63-F67 PolarHBondContact O-N 3.47Å; I65-F67 PolarHBondContact O-N 2.93Å; F67-L70 PolarHBondContact O-N 2.79Å; F67-R71 VanDerWaalsContact O-CB 3.22Å; F67-R71 WeakPolarHBondContact O-CB 3.14Å; F67-R71 PolarHBondContact O-N 3.41Å; F67-Y84 WeakPolarHBondContact CB-OH 3.24Å; F67-G361 WeakPolarHBondContact CE2-O 3.27Å; F67-G361 VanDerWaalsContact CZ-O 3.29Å; F67-G361 WeakPolarHBondContact CZ-O 3.48Å; F67-L391 HydrophobicContact CE1-CB 3.81Å; F67-L391 VanDerWaalsContact CZ-O 3.28Å; F67-L391 WeakPolarHBondContact CZ-O 3.43Å; F67-A393 HydrophobicContact CE2-CB 3.78Å; F67-A393 HydrophobicContact CZ-CB 3.79Å
68	D	97.8	Very high	95.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-44.8	169.4	-177.4	63.7	0	0	0	111.5	Y64 I65 R71 R72 V224 L225 R426	Y64-D68 VanDerWaalsContact O-CB 3.26Å; Y64-D68 WeakPolarHBondContact O-CB 3.04Å; Y64-D68 PolarHBondContact O-N 2.89Å; I65-D68 PolarHBondContact O-N 2.85Å; D68-R71 PolarHBondContact O-N 3.31Å; D68-R71 IonicContact OD1-CZ 3.9Å; D68-R71 IonicContact OD1-NE 2.95Å; D68-R71 IonicContact OD1-NH2 3.67Å; D68-R71 PolarHBondContact OD1-NH2 3.34Å; D68-R72 WeakPolarHBondContact O-CB 3.13Å; D68-R72 WeakPolarHBondContact O-CG 3.45Å; D68-R72 PolarHBondContact O-N 3.21Å; D68-R72 IonicContact OD1-NE 3.64Å; D68-R72 PolarHBondContact OD1-NE 3.08Å; D68-R72 IonicContact OD2-CZ 2.86Å; D68-R72 IonicContact OD2-NE 2.82Å; D68-R72 PolarHBondContact OD2-NE 3.14Å; D68-R72 IonicContact OD2-NH2 3.52Å; D68-V224 HydrophobicContact CB-CG1 4.17Å; D68-V224 HydrophobicContact CB-CG2 4.39Å; D68-L225 PolarHBondContact OD1-N 3.47Å; D68-L225 VanDerWaalsContact OD1-N 3.09Å; D68-R426 IonicContact OD2-CZ 3.92Å; D68-R426 VanDerWaalsContact OD2-CZ 3.26Å; D68-R426 IonicContact OD2-NH1 2.8Å; D68-R426 PolarHBondContact OD2-NH1 2.77Å; D68-R426 IonicContact OD2-NH2 3.56Å; D68-R426 PolarHBondContact OD2-NH2 3.22Å
69	I	97.2	Very high	95.8	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.026	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-49.7	175.8	-69.4	159.6	0	0	0	110.5	I65 S66 R71 R72 V73 R426 L430 T509 F556	I65-I69 HydrophobicContact CG2-CD1 3.7Å; I65-I69 HydrophobicContact CG2-CG1 4.28Å; I65-I69 WeakPolarHBondContact O-CD1 3.28Å; I65-I69 VanDerWaalsContact O-CG1 3.26Å; I65-I69 WeakPolarHBondContact O-CG1 3.37Å; I65-I69 PolarHBondContact O-N 2.71Å; S66-I69 PolarHBondContact O-N 2.88Å; I69-R71 PolarHBondContact O-N 3.33Å; I69-R72 PolarHBondContact O-N 2.95Å; I69-V73 HydrophobicContact CG2-CG2 4.49Å; I69-V73 WeakPolarHBondContact O-CG2 3.38Å; I69-V73 PolarHBondContact O-N 3.45Å; I69-R426 HydrophobicContact CD1-CG 4.45Å; I69-L430 HydrophobicContact CB-CD2 4.5Å; I69-L430 HydrophobicContact CD1-CD2 3.6Å; I69-L430 HydrophobicContact CD1-CG 3.77Å; I69-L430 HydrophobicContact CG1-CD2 3.99Å; I69-L430 HydrophobicContact CG2-CD2 3.68Å; I69-T509 HydrophobicContact CG2-CG2 3.92Å; I69-F556 HydrophobicContact CG2-CD1 4.45Å
70	L	97.8	Very high	96.2	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-61.2	-46	179.1	-85.6	71.9	0	0	0	110.8	W45 S66 F67 R72 V73 L74 L391 W434 V507	W45-L70 HydrophobicContact CH2-CB 3.72Å; W45-L70 HydrophobicContact CH2-CD2 4.49Å; W45-L70 HydrophobicContact CZ3-CB 4.49Å; S66-L70 WeakPolarHBondContact O-CD1 3.33Å; S66-L70 PolarHBondContact O-N 3.26Å; F67-L70 PolarHBondContact O-N 2.79Å; L70-R72 PolarHBondContact O-N 3.05Å; L70-V73 PolarHBondContact O-N 3.09Å; L70-L74 WeakPolarHBondContact O-CD1 3.49Å; L70-L74 PolarHBondContact O-N 2.76Å; L70-L391 HydrophobicContact CD2-CD1 3.94Å; L70-W434 HydrophobicContact CD1-CB 4.04Å; L70-W434 HydrophobicContact CD1-CD2 4.18Å; L70-W434 HydrophobicContact CD1-CG 3.76Å; L70-W434 HydrophobicContact CD2-CD2 4.12Å; L70-W434 HydrophobicContact CD2-CE3 4.48Å; L70-W434 HydrophobicContact CD2-CZ2 4.25Å; L70-V507 HydrophobicContact CD1-CG1 4.49Å; L70-V507 HydrophobicContact CG-CB 4.27Å; L70-V507 HydrophobicContact CG-CG1 4.3Å; L70-V507 HydrophobicContact CG-CG2 4.32Å
71	R	97.5	Very high	96.4	Very high	8 Å²	8	19.8 Å²	19.8	3%	0.03	10%	0.104	C	C	.	.	H	α-helix	trans	-55.7	-49.3	176.2	175.4	-179.8	61.2	-179.8	-13.6	111.4	W45 F67 D68 I69 V73 L74 K75 V82 Y84 L225 P226	W45-R71 HydrophobicContact CZ3-CB 4.2Å; F67-R71 VanDerWaalsContact O-CB 3.22Å; F67-R71 WeakPolarHBondContact O-CB 3.14Å; F67-R71 PolarHBondContact O-N 3.41Å; D68-R71 PolarHBondContact O-N 3.31Å; D68-R71 IonicContact OD1-CZ 3.9Å; D68-R71 IonicContact OD1-NE 2.95Å; D68-R71 IonicContact OD1-NH2 3.67Å; D68-R71 PolarHBondContact OD1-NH2 3.34Å; I69-R71 PolarHBondContact O-N 3.33Å; R71-V73 VanDerWaalsContact C-N 3.34Å; R71-V73 PolarHBondContact O-N 3.49Å; R71-L74 PolarHBondContact O-N 3.21Å; R71-K75 VanDerWaalsContact O-CB 3.27Å; R71-K75 WeakPolarHBondContact O-CB 3.47Å; R71-K75 PolarHBondContact O-N 2.87Å; R71-V82 HydrophobicContact CG-CG1 4.42Å; R71-Y84 HydrophobicContact CB-CD2 4.44Å; R71-Y84 HydrophobicContact CB-CE2 4.37Å; R71-Y84 HydrophobicContact CG-CD2 4.18Å; R71-L225 PolarHBondContact NH2-O 3.35Å; R71-P226 PolarHBondContact NH1-O 2.78Å
72	R	97.1	Very high	96.5	Very high	2 Å²	2	20 Å²	20	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-36.1	178.5	-68	168.4	178.7	-92.2	13.6	112.2	D68 I69 L70 D76 N223 L225 I555	D68-R72 WeakPolarHBondContact O-CB 3.13Å; D68-R72 WeakPolarHBondContact O-CG 3.45Å; D68-R72 PolarHBondContact O-N 3.21Å; D68-R72 IonicContact OD1-NE 3.64Å; D68-R72 PolarHBondContact OD1-NE 3.08Å; D68-R72 IonicContact OD2-CZ 2.86Å; D68-R72 IonicContact OD2-NE 2.82Å; D68-R72 PolarHBondContact OD2-NE 3.14Å; D68-R72 IonicContact OD2-NH2 3.52Å; I69-R72 PolarHBondContact O-N 2.95Å; L70-R72 PolarHBondContact O-N 3.05Å; R72-D76 WeakPolarHBondContact O-CA 3.29Å; R72-D76 VanDerWaalsContact O-CB 3.24Å; R72-D76 WeakPolarHBondContact O-CB 3.28Å; R72-D76 PolarHBondContact O-N 3.2Å; R72-N223 PolarHBondContact NH2-O 3.08Å; R72-L225 HydrophobicContact CG-CD1 4.02Å; R72-L225 VanDerWaalsContact CZ-CG 3.46Å; R72-L225 VanDerWaalsContact NH2-CG 3.31Å; R72-I555 WeakPolarHBondContact CB-O 3.22Å; R72-I555 VanDerWaalsContact CD-O 3.24Å; R72-I555 WeakPolarHBondContact CD-O 3.21Å
73	V	97.1	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	I	π-helix	trans	-66.1	-46	174.3	170.6	0	0	0	0	110.9	I69 L70 R71 K75 Y77 F78 L503 V507 I555 F556	I69-V73 HydrophobicContact CG2-CG2 4.49Å; I69-V73 WeakPolarHBondContact O-CG2 3.38Å; I69-V73 PolarHBondContact O-N 3.45Å; L70-V73 PolarHBondContact O-N 3.09Å; R71-V73 VanDerWaalsContact C-N 3.34Å; R71-V73 PolarHBondContact O-N 3.49Å; V73-K75 PolarHBondContact O-N 3.27Å; V73-Y77 WeakPolarHBondContact O-CA 3.3Å; V73-Y77 WeakPolarHBondContact O-CB 3.4Å; V73-Y77 PolarHBondContact O-N 2.81Å; V73-Y77 VanDerWaalsContact O-N 3.13Å; V73-F78 HydrophobicContact CG1-CD2 3.82Å; V73-F78 HydrophobicContact CG1-CE2 3.63Å; V73-F78 WeakPolarHBondContact O-CD2 3.39Å; V73-F78 PolarHBondContact O-N 3.46Å; V73-L503 HydrophobicContact CG1-CD2 4.45Å; V73-V507 HydrophobicContact CB-CG1 4Å; V73-V507 HydrophobicContact CG1-CG1 3.91Å; V73-V507 HydrophobicContact CG1-CG2 4.23Å; V73-V507 HydrophobicContact CG2-CG1 3.9Å; V73-I555 HydrophobicContact CG2-CG2 4.2Å; V73-F556 HydrophobicContact CG2-CD1 3.9Å; V73-F556 HydrophobicContact CG2-CE1 3.72Å
74	L	97	Very high	96.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.117	C	C	.	.	I	π-helix	trans	-60.5	-47	176.6	-90.1	70.8	0	0	0	111.2	L22 F35 W45 L70 R71 F78 G79 Y80 V82 I358 V507	L22-L74 HydrophobicContact CD2-CD1 4.38Å; L22-L74 HydrophobicContact CD2-CG 4.35Å; F35-L74 HydrophobicContact CE1-CD2 4.02Å; F35-L74 HydrophobicContact CZ-CD2 4Å; W45-L74 HydrophobicContact CZ3-CD2 4.09Å; L70-L74 WeakPolarHBondContact O-CD1 3.49Å; L70-L74 PolarHBondContact O-N 2.76Å; R71-L74 PolarHBondContact O-N 3.21Å; L74-F78 CarbonylContact O-C 3.58Å; L74-F78 WeakPolarHBondContact O-CB 3.3Å; L74-G79 PolarHBondContact O-N 3.12Å; L74-G79 VanDerWaalsContact O-N 3.11Å; L74-Y80 HydrophobicContact CB-CD2 4.14Å; L74-Y80 HydrophobicContact CG-CD2 4.16Å; L74-Y80 WeakPolarHBondContact O-CD2 3.39Å; L74-Y80 PolarHBondContact O-N 2.84Å; L74-V82 HydrophobicContact CB-CG2 4.23Å; L74-I358 HydrophobicContact CD2-CD1 3.89Å; L74-V507 HydrophobicContact CD1-CG2 4.37Å
75	K	96.3	Very high	96.9	Very high	52 Å²	52	21.8 Å²	21.8	23%	0.226	11%	0.114	C	C	.	.	I	π-helix	trans	-73.9	-57	-177	-176.1	178	179.6	165.3	0	113.6	R71 V73 G79 Y80 V82	R71-K75 VanDerWaalsContact O-CB 3.27Å; R71-K75 WeakPolarHBondContact O-CB 3.47Å; R71-K75 PolarHBondContact O-N 2.87Å; V73-K75 PolarHBondContact O-N 3.27Å; K75-G79 WeakPolarHBondContact O-CA 3.48Å; K75-G79 PolarHBondContact O-N 3.21Å; K75-Y80 WeakPolarHBondContact CA-O 3.4Å; K75-V82 HydrophobicContact CB-CG2 4.3Å
76	D	94.7	Very high	97	Very high	22 Å²	22	22.6 Å²	22.6	12%	0.118	12%	0.118	C	C	.	.	I	π-helix	trans	-93	-18.1	-167	-55.1	-41.8	0	0	0	113.5	R72 I555 F572	R72-D76 WeakPolarHBondContact O-CA 3.29Å; R72-D76 VanDerWaalsContact O-CB 3.24Å; R72-D76 WeakPolarHBondContact O-CB 3.28Å; R72-D76 PolarHBondContact O-N 3.2Å; D76-I555 HydrophobicContact CB-CG1 3.98Å; D76-I555 HydrophobicContact CB-CG2 4.39Å; D76-F572 HydrophobicContact CB-CZ 4.29Å; D76-F572 WeakPolarHBondContact O-CE1 3.25Å; D76-F572 WeakPolarHBondContact O-CZ 3.31Å
77	Y	95.3	Very high	97.1	Very high	57 Å²	57	22.5 Å²	22.5	22%	0.224	12%	0.117	C	C	.	.	I	π-helix	trans	-102.2	-50.3	175.9	-172.9	-90.2	0	0	0	112.6	V73 H500 L503 L552 I555	V73-Y77 WeakPolarHBondContact O-CA 3.3Å; V73-Y77 WeakPolarHBondContact O-CB 3.4Å; V73-Y77 PolarHBondContact O-N 2.81Å; V73-Y77 VanDerWaalsContact O-N 3.13Å; Y77-H500 AromaticContact CE1-ND1 3.46Å; Y77-H500 WeakPolarHBondContact CE1-ND1 3.33Å; Y77-H500 AromaticContact CZ-ND1 3.63Å; Y77-H500 VanDerWaalsContact OH-CA 3.25Å; Y77-H500 WeakPolarHBondContact OH-CA 3.33Å; Y77-H500 VanDerWaalsContact OH-CB 3.24Å; Y77-H500 WeakPolarHBondContact OH-CB 3.41Å; Y77-H500 PolarHBondContact OH-ND1 3.26Å; Y77-L503 HydrophobicContact CD1-CD1 4Å; Y77-L503 HydrophobicContact CD2-CD1 3.93Å; Y77-L503 HydrophobicContact CE1-CB 4.36Å; Y77-L503 HydrophobicContact CE1-CD1 3.84Å; Y77-L503 HydrophobicContact CE2-CD1 3.77Å; Y77-L503 HydrophobicContact CG-CD1 4.05Å; Y77-L552 HydrophobicContact CD2-CD2 4.41Å; Y77-L552 HydrophobicContact CE2-CD2 4.21Å; Y77-I555 HydrophobicContact CD2-CD1 4.06Å
78	F	95.1	Very high	97.1	Very high	49 Å²	49	22.5 Å²	22.5	22%	0.215	12%	0.117	C	C	.	.	S	Bend	trans	-87.8	-16.8	179.6	-69.6	-73.8	0	0	0	113.7	L22 V73 L74 Y80 L503	L22-F78 HydrophobicContact CB-CE1 4.26Å; L22-F78 HydrophobicContact CB-CZ 4.27Å; L22-F78 HydrophobicContact CD1-CE2 3.83Å; L22-F78 HydrophobicContact CD1-CZ 3.93Å; L22-F78 HydrophobicContact CD2-CD2 4.01Å; L22-F78 HydrophobicContact CD2-CE2 4.1Å; L22-F78 HydrophobicContact CD2-CG 4.35Å; L22-F78 HydrophobicContact CG-CE2 4.41Å; L22-F78 HydrophobicContact CG-CZ 4.46Å; V73-F78 HydrophobicContact CG1-CD2 3.82Å; V73-F78 HydrophobicContact CG1-CE2 3.63Å; V73-F78 WeakPolarHBondContact O-CD2 3.39Å; V73-F78 PolarHBondContact O-N 3.46Å; L74-F78 CarbonylContact O-C 3.58Å; L74-F78 WeakPolarHBondContact O-CB 3.3Å; F78-Y80 HydrophobicContact CB-CD2 3.62Å; F78-Y80 HydrophobicContact CB-CE2 3.59Å; F78-Y80 HydrophobicContact CG-CE2 4.25Å; F78-L503 HydrophobicContact CE2-CB 4.37Å; F78-L503 HydrophobicContact CZ-CB 4.23Å
79	G	94.9	Very high	97	Very high	42 Å²	42	22.6 Å²	22.6	43%	0.433	12%	0.118	S	C	.	.			trans	83.4	16.5	175.1	0	0	0	0	0	114.8	N41 L74 K75	N41-G79 PolarHBondContact ND2-O 3.23Å; L74-G79 PolarHBondContact O-N 3.12Å; L74-G79 VanDerWaalsContact O-N 3.11Å; K75-G79 WeakPolarHBondContact O-CA 3.48Å; K75-G79 PolarHBondContact O-N 3.21Å
80	Y	96.9	Very high	97	Very high	40 Å²	40	22.6 Å²	22.6	16%	0.157	12%	0.118	C	C	.	.			trans	-68.5	144	177	-69.9	-72	0	0	0	112	L22 F35 P37 N41 V43 L74 K75 F78 V82	L22-Y80 HydrophobicContact CD2-CE2 3.87Å; F35-Y80 HydrophobicContact CD1-CE1 4.43Å; F35-Y80 HydrophobicContact CD1-CE2 4.03Å; F35-Y80 AromaticContact CD1-CZ 3.82Å; F35-Y80 HydrophobicContact CE1-CD1 4.41Å; F35-Y80 HydrophobicContact CE1-CD2 4.29Å; F35-Y80 HydrophobicContact CE1-CE1 4.06Å; F35-Y80 AromaticContact CE1-CE2 3.93Å; F35-Y80 HydrophobicContact CE1-CE2 3.93Å; F35-Y80 AromaticContact CE1-CZ 3.81Å; P37-Y80 HydrophobicContact CG-CD1 4.03Å; P37-Y80 HydrophobicContact CG-CE1 3.69Å; N41-Y80 VanDerWaalsContact OD1-CD1 3.31Å; N41-Y80 WeakPolarHBondContact OD1-CD1 3.46Å; V43-Y80 HydrophobicContact CG2-CD1 3.9Å; V43-Y80 HydrophobicContact CG2-CG 4.02Å; L74-Y80 HydrophobicContact CB-CD2 4.14Å; L74-Y80 HydrophobicContact CG-CD2 4.16Å; L74-Y80 WeakPolarHBondContact O-CD2 3.39Å; L74-Y80 PolarHBondContact O-N 2.84Å; K75-Y80 WeakPolarHBondContact CA-O 3.4Å; F78-Y80 HydrophobicContact CB-CD2 3.62Å; F78-Y80 HydrophobicContact CB-CE2 3.59Å; F78-Y80 HydrophobicContact CG-CE2 4.25Å; Y80-V82 PolarHBondContact O-N 2.96Å
81	D	97.3	Very high	96.8	Very high	94 Å²	94	22.8 Å²	22.8	50%	0.503	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	93.8	171.6	-176.7	23.4	0	0	0	109.2	N41 Q42 V43	N41-D81 PolarHBondContact O-N 2.9Å; Q42-D81 CarbonylContact C-O 3.49Å; Q42-D81 WeakPolarHBondContact CA-O 3.39Å; Q42-D81 HydrophobicContact CG-CB 4.37Å; V43-D81 PolarHBondContact N-O 3.23Å
82	V	97.7	Very high	96.6	Very high	7 Å²	7	23.2 Å²	23.2	4%	0.042	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.2	-172.6	-176.1	0	0	0	0	110.3	V43 W45 R71 L74 K75 Y80	V43-V82 HydrophobicContact CB-CG2 4.22Å; V43-V82 WeakPolarHBondContact O-CA 3.41Å; W45-V82 HydrophobicContact CB-CG1 4.26Å; W45-V82 HydrophobicContact CE3-CG1 4.17Å; R71-V82 HydrophobicContact CG-CG1 4.42Å; L74-V82 HydrophobicContact CB-CG2 4.23Å; K75-V82 HydrophobicContact CB-CG2 4.3Å; Y80-V82 PolarHBondContact O-N 2.96Å
83	L	98	Very high	96.3	Very high	64 Å²	64	23.3 Å²	23.3	34%	0.335	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	106.1	163	175.4	65.4	0	0	0	108.6	V43 W45 V85 D228 V229 I351	V43-L83 PolarHBondContact O-N 3.37Å; W45-L83 PolarHBondContact N-O 3.41Å; L83-V85 HydrophobicContact CD2-CG2 4.45Å; L83-V85 HydrophobicContact CG-CG2 4.08Å; L83-D228 HydrophobicContact CD1-CB 4.1Å; L83-V229 HydrophobicContact CD1-CG2 4.15Å; L83-I351 HydrophobicContact CD2-CG2 4.41Å
84	Y	98.2	Very high	95.9	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.035	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.8	-177.2	-163.4	-95.6	0	0	0	111.6	W45 I47 F67 R71 A227 D228 V229	W45-Y84 HydrophobicContact CB-CD2 4.02Å; W45-Y84 AromaticContact CD1-CE2 3.81Å; W45-Y84 AromaticContact CD2-CD2 3.79Å; W45-Y84 HydrophobicContact CD2-CD2 3.79Å; W45-Y84 AromaticContact CD2-CE2 3.7Å; W45-Y84 HydrophobicContact CD2-CE2 3.7Å; W45-Y84 AromaticContact CE2-CE2 3.65Å; W45-Y84 HydrophobicContact CE3-CD2 4.19Å; W45-Y84 HydrophobicContact CE3-CE2 4.26Å; W45-Y84 AromaticContact CG-CD2 3.69Å; W45-Y84 HydrophobicContact CG-CD2 3.69Å; W45-Y84 AromaticContact CG-CE2 3.84Å; W45-Y84 HydrophobicContact CG-CE2 3.84Å; W45-Y84 HydrophobicContact CZ2-CE2 4.2Å; W45-Y84 AromaticContact NE1-CE2 3.71Å; I47-Y84 WeakPolarHBondContact CD1-OH 3.4Å; I47-Y84 HydrophobicContact CG2-CD1 4.34Å; I47-Y84 HydrophobicContact CG2-CE1 3.47Å; I47-Y84 VanDerWaalsContact CG2-CE1 3.47Å; I47-Y84 HydrophobicContact CG2-CE2 4.39Å; I47-Y84 WeakPolarHBondContact CG2-OH 3.48Å; F67-Y84 WeakPolarHBondContact CB-OH 3.24Å; R71-Y84 HydrophobicContact CB-CD2 4.44Å; R71-Y84 HydrophobicContact CB-CE2 4.37Å; R71-Y84 HydrophobicContact CG-CD2 4.18Å; Y84-A227 HydrophobicContact CD1-CB 3.98Å; Y84-D228 WeakPolarHBondContact CA-OD2 3.33Å; Y84-D228 WeakPolarHBondContact CB-OD2 3.31Å; Y84-D228 PolarHBondContact N-OD2 2.71Å; Y84-D228 PolarHBondContact O-N 2.97Å; Y84-V229 PolarHBondContact O-N 3.23Å
85	V	98.5	Very high	95.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.9	-176.8	-172.7	0	0	0	0	109.7	W45 Y46 I47 L83 V229 T231 I351	W45-V85 PolarHBondContact O-N 2.92Å; Y46-V85 WeakPolarHBondContact CA-O 3.48Å; Y46-V85 HydrophobicContact CD2-CB 3.88Å; Y46-V85 HydrophobicContact CD2-CG1 3.68Å; Y46-V85 HydrophobicContact CE2-CG1 3.94Å; I47-V85 WeakPolarHBondContact CG2-O 3.31Å; I47-V85 PolarHBondContact N-O 3.38Å; L83-V85 HydrophobicContact CD2-CG2 4.45Å; L83-V85 HydrophobicContact CG-CG2 4.08Å; V85-V229 WeakPolarHBondContact CA-O 3.38Å; V85-V229 HydrophobicContact CG1-CB 4.19Å; V85-V229 HydrophobicContact CG1-CG1 4.36Å; V85-V229 HydrophobicContact CG2-CB 4.23Å; V85-T231 HydrophobicContact CG1-CG2 4.4Å; V85-I351 HydrophobicContact CG1-CB 4.37Å; V85-I351 HydrophobicContact CG1-CG1 4.38Å; V85-I351 HydrophobicContact CG1-CG2 4.32Å; V85-I351 HydrophobicContact CG2-CB 4.38Å; V85-I351 HydrophobicContact CG2-CG2 3.65Å
86	M	98.3	Very high	95.6	Very high	17 Å²	17	24.9 Å²	24.9	8%	0.084	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.8	177	-178.8	174.5	74.5	0	0	110	I47 Y64 I88 F215 A227 V229 L230 T231	I47-M86 HydrophobicContact CG2-CB 3.64Å; I47-M86 HydrophobicContact CG2-CG 3.83Å; I47-M86 HydrophobicContact CG2-SD 4.37Å; I47-M86 WeakPolarHBondContact O-CA 3.47Å; Y64-M86 HydrophobicContact CE1-SD 4.12Å; M86-I88 HydrophobicContact CE-CD1 4.38Å; M86-F215 HydrophobicContact CE-CE1 4.06Å; M86-A227 HydrophobicContact CB-CB 3.71Å; M86-V229 PolarHBondContact N-O 2.73Å; M86-L230 HydrophobicContact CB-CD1 4.42Å; M86-L230 HydrophobicContact CE-CD1 3.35Å; M86-L230 VanDerWaalsContact O-CA 3.29Å; M86-L230 WeakPolarHBondContact O-CA 3.33Å; M86-T231 PolarHBondContact O-N 3.38Å
87	N	98.1	Very high	95.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	164.4	169.8	69	-49.7	0	0	0	113	Y46 I47 C48 G49 T89 T231 C344 M347	Y46-N87 VanDerWaalsContact OH-CB 3.26Å; Y46-N87 WeakPolarHBondContact OH-CB 3.41Å; Y46-N87 VanDerWaalsContact OH-CG 3.32Å; Y46-N87 PolarHBondContact OH-OD1 2.88Å; I47-N87 PolarHBondContact O-OD1 3.48Å; C48-N87 WeakPolarHBondContact CA-OD1 3.26Å; G49-N87 WeakPolarHBondContact CA-O 3.26Å; G49-N87 PolarHBondContact N-OD1 3.37Å; N87-T89 PolarHBondContact ND2-OG1 3.32Å; N87-T231 CarbonylContact C-O 3.59Å; N87-T231 VanDerWaalsContact CA-O 3.24Å; N87-T231 WeakPolarHBondContact CA-O 3.24Å; N87-T231 WeakPolarHBondContact CA-OG1 3.42Å; N87-T231 WeakPolarHBondContact CB-OG1 3.39Å; N87-C344 PolarHBondContact ND2-SG 2.75Å; N87-M347 HydrophobicContact CB-CE 3.41Å; N87-M347 VanDerWaalsContact CB-CE 3.41Å; N87-M347 HydrophobicContact CB-SD 3.82Å
88	I	97.9	Very high	95.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.1	161.9	-61	-60.8	0	0	0	106.3	P50 V52 M86 D90 E212 L230 T231 R232 V233	P50-I88 HydrophobicContact CG-CD1 3.97Å; V52-I88 HydrophobicContact CB-CG2 4.37Å; V52-I88 HydrophobicContact CG1-CG2 3.68Å; V52-I88 HydrophobicContact CG2-CG2 3.7Å; M86-I88 HydrophobicContact CE-CD1 4.38Å; I88-D90 HydrophobicContact CG2-CB 4.37Å; I88-D90 PolarHBondContact O-N 3.1Å; I88-D90 VanDerWaalsContact O-N 3.15Å; I88-E212 HydrophobicContact CD1-CG 4.32Å; I88-E212 HydrophobicContact CG1-CG 4.17Å; I88-E212 HydrophobicContact CG2-CG 4.24Å; I88-L230 HydrophobicContact CD1-CD1 4Å; I88-L230 HydrophobicContact CG1-CD1 3.88Å; I88-L230 HydrophobicContact CG1-CD2 3.91Å; I88-L230 HydrophobicContact CG1-CG 3.96Å; I88-T231 PolarHBondContact N-O 3.35Å; I88-R232 HydrophobicContact CB-CG 4.26Å; I88-V233 PolarHBondContact O-N 3Å
89	T	97.3	Very high	95.1	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-80.5	95.5	170.8	-63.4	0	0	0	0	107.9	P50 T51 V52 N87 I91 D92 I95 E343	P50-T89 PolarHBondContact O-N 2.93Å; P50-T89 VanDerWaalsContact O-N 3.09Å; T51-T89 WeakPolarHBondContact CA-O 3.49Å; T51-T89 HydrophobicContact CG2-CG2 4Å; V52-T89 WeakPolarHBondContact CG2-O 3.39Å; V52-T89 PolarHBondContact N-O 3.37Å; N87-T89 PolarHBondContact ND2-OG1 3.32Å; T89-I91 WeakPolarHBondContact CG2-O 3.25Å; T89-D92 HydrophobicContact CG2-CB 3.98Å; T89-I95 WeakPolarHBondContact O-CD1 3.4Å; T89-E343 WeakPolarHBondContact CG2-OE2 3.33Å; T89-E343 PolarHBondContact OG1-OE2 2.9Å
90	D	96.2	Very high	95	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.027	11%	0.106	C	C	.	.			trans	-99.8	-3.2	177.5	64.7	-23.5	0	0	0	113.4	V52 I88 I95 V233 S234	V52-D90 HydrophobicContact CG2-CB 4.17Å; I88-D90 HydrophobicContact CG2-CB 4.37Å; I88-D90 PolarHBondContact O-N 3.1Å; I88-D90 VanDerWaalsContact O-N 3.15Å; D90-I95 VanDerWaalsContact C-CD1 3.41Å; D90-I95 WeakPolarHBondContact O-CD1 3.48Å; D90-V233 WeakPolarHBondContact OD1-CA 3.4Å; D90-V233 VanDerWaalsContact OD1-CB 3.25Å; D90-V233 WeakPolarHBondContact OD1-CB 3.38Å; D90-V233 PolarHBondContact OD1-N 3.29Å; D90-S234 PolarHBondContact OD1-N 2.85Å; D90-S234 WeakPolarHBondContact OD2-CB 3.32Å; D90-S234 PolarHBondContact OD2-OG 3.47Å
91	I	93.9	Very high	94.8	Very high	7 Å²	7	21.7 Å²	21.7	4%	0.036	10%	0.103	C	C	.	.	S	Bend	trans	-120.8	111.4	169.5	-57.4	173.5	0	0	0	107.9	T89 V233 V237 W329 R337	T89-I91 WeakPolarHBondContact CG2-O 3.25Å; I91-V233 HydrophobicContact CB-CB 4.38Å; I91-V233 HydrophobicContact CB-CG1 4.27Å; I91-V233 HydrophobicContact CD1-CB 4.26Å; I91-V233 HydrophobicContact CD1-CG1 4.02Å; I91-V233 HydrophobicContact CG1-CB 4.33Å; I91-V233 HydrophobicContact CG1-CG1 4.43Å; I91-V237 HydrophobicContact CD1-CG2 4.06Å; I91-W329 HydrophobicContact CD1-CE3 4.44Å; I91-W329 HydrophobicContact CD1-CH2 3.32Å; I91-W329 HydrophobicContact CD1-CZ2 3.46Å; I91-W329 VanDerWaalsContact CD1-CZ2 3.46Å; I91-W329 HydrophobicContact CD1-CZ3 3.85Å; I91-W329 HydrophobicContact CG1-CH2 3.7Å; I91-W329 HydrophobicContact CG1-CZ2 4.16Å; I91-W329 HydrophobicContact CG1-CZ3 4.36Å; I91-W329 HydrophobicContact CG2-CH2 4.2Å; I91-W329 HydrophobicContact CG2-CZ3 4.09Å; I91-R337 HydrophobicContact CG2-CB 4.24Å
92	D	92.3	Very high	94.6	Very high	16 Å²	16	21.1 Å²	21.1	9%	0.086	10%	0.096	C	C	.	.			trans	-159.3	156.6	172.6	-178.5	-113.4	0	0	0	110.5	T51 T89 K94 I95 I96	T51-D92 HydrophobicContact CG2-CB 3.65Å; T89-D92 HydrophobicContact CG2-CB 3.98Å; D92-K94 PolarHBondContact O-N 2.9Å; D92-K94 VanDerWaalsContact O-N 3.16Å; D92-K94 VanDerWaalsContact OD1-CB 3.24Å; D92-K94 WeakPolarHBondContact OD1-CB 3.34Å; D92-K94 VanDerWaalsContact OD1-CG 3.31Å; D92-K94 WeakPolarHBondContact OD1-CG 3.43Å; D92-K94 PolarHBondContact OD1-N 3.4Å; D92-I95 HydrophobicContact CB-CD1 4.33Å; D92-I95 HydrophobicContact CB-CG1 4.4Å; D92-I95 WeakPolarHBondContact O-CB 3.41Å; D92-I95 PolarHBondContact O-N 3.16Å; D92-I96 WeakPolarHBondContact O-CG1 2.92Å; D92-I96 PolarHBondContact O-N 3.31Å
93	D	90.4	Very high	94.3	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-55.9	-33.5	177.4	-77.7	-1.8	0	0	0	112.1	K97 G298 L300 R337	D93-K97 WeakPolarHBondContact O-CB 3.48Å; D93-K97 PolarHBondContact O-N 2.93Å; D93-G298 VanDerWaalsContact OD2-C 3.23Å; D93-G298 WeakPolarHBondContact OD2-CA 3.49Å; D93-L300 HydrophobicContact CB-CB 4.24Å; D93-L300 HydrophobicContact CB-CD1 3.95Å; D93-L300 HydrophobicContact CB-CG 3.9Å; D93-L300 WeakPolarHBondContact OD2-CB 3.46Å; D93-L300 PolarHBondContact OD2-N 3Å; D93-L300 VanDerWaalsContact OD2-N 3.08Å; D93-R337 IonicContact OD1-CZ 3.81Å; D93-R337 IonicContact OD1-NE 2.57Å; D93-R337 PolarHBondContact OD1-NE 3.36Å; D93-R337 IonicContact OD1-NH2 3.34Å; D93-R337 PolarHBondContact OD1-NH2 2.9Å
94	K	90.5	Very high	94.1	Very high	82 Å²	82	20.6 Å²	20.6	36%	0.357	9%	0.091	S	C	.	.	H	α-helix	trans	-69	-38.4	176.6	-64.5	170.1	-174.8	160.3	0	112.4	Y53 D92 R98	Y53-K94 HydrophobicContact CD1-CB 3.99Å; Y53-K94 HydrophobicContact CD1-CD 4.28Å; Y53-K94 HydrophobicContact CD2-CB 4.11Å; Y53-K94 HydrophobicContact CE1-CB 4.3Å; Y53-K94 HydrophobicContact CE1-CD 3.78Å; Y53-K94 HydrophobicContact CE2-CB 4.42Å; Y53-K94 HydrophobicContact CE2-CD 4.44Å; Y53-K94 HydrophobicContact CG-CB 3.87Å; D92-K94 PolarHBondContact O-N 2.9Å; D92-K94 VanDerWaalsContact O-N 3.16Å; D92-K94 VanDerWaalsContact OD1-CB 3.24Å; D92-K94 WeakPolarHBondContact OD1-CB 3.34Å; D92-K94 VanDerWaalsContact OD1-CG 3.31Å; D92-K94 WeakPolarHBondContact OD1-CG 3.43Å; D92-K94 PolarHBondContact OD1-N 3.4Å; K94-R98 VanDerWaalsContact O-CB 3.22Å; K94-R98 WeakPolarHBondContact O-CB 3.08Å; K94-R98 PolarHBondContact O-N 3.48Å
95	I	93.2	Very high	93.7	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-66	-48.6	175.9	-65.5	173.2	0	0	0	109.1	T51 V52 T89 D90 D92 K97 R98 A99 L207	T51-I95 HydrophobicContact CG2-CD1 3.98Å; T51-I95 HydrophobicContact CG2-CG1 4.09Å; V52-I95 HydrophobicContact CG2-CD1 4.11Å; T89-I95 WeakPolarHBondContact O-CD1 3.4Å; D90-I95 VanDerWaalsContact C-CD1 3.41Å; D90-I95 WeakPolarHBondContact O-CD1 3.48Å; D92-I95 HydrophobicContact CB-CD1 4.33Å; D92-I95 HydrophobicContact CB-CG1 4.4Å; D92-I95 WeakPolarHBondContact O-CB 3.41Å; D92-I95 PolarHBondContact O-N 3.16Å; I95-K97 PolarHBondContact O-N 2.96Å; I95-R98 PolarHBondContact O-N 3.02Å; I95-A99 WeakPolarHBondContact O-CB 3.49Å; I95-A99 PolarHBondContact O-N 3.18Å; I95-L207 HydrophobicContact CG2-CD2 4.33Å
96	I	92.5	Very high	93.4	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-55.7	-53.5	-180	-64.4	167.3	0	0	0	110.3	D92 R98 A99 R100 F204 L300 E326 P327	D92-I96 WeakPolarHBondContact O-CG1 2.92Å; D92-I96 PolarHBondContact O-N 3.31Å; I96-R98 PolarHBondContact O-N 3.44Å; I96-A99 PolarHBondContact O-N 3.44Å; I96-R100 WeakPolarHBondContact O-CG 3.07Å; I96-R100 PolarHBondContact O-N 2.85Å; I96-R100 VanDerWaalsContact O-N 3.12Å; I96-F204 HydrophobicContact CB-CD1 4.41Å; I96-F204 HydrophobicContact CB-CE1 4.21Å; I96-F204 HydrophobicContact CG1-CD1 4.36Å; I96-F204 HydrophobicContact CG1-CE1 4.44Å; I96-F204 HydrophobicContact CG2-CD1 4.48Å; I96-F204 HydrophobicContact CG2-CE1 3.8Å; I96-F204 HydrophobicContact CG2-CZ 4.48Å; I96-L300 HydrophobicContact CB-CD1 3.94Å; I96-L300 HydrophobicContact CD1-CD1 4.42Å; I96-L300 HydrophobicContact CG2-CD1 3.73Å; I96-E326 HydrophobicContact CG2-CB 4.34Å; I96-E326 HydrophobicContact CG2-CG 4.12Å; I96-P327 HydrophobicContact CD1-CG 3.86Å; I96-P327 HydrophobicContact CG1-CG 3.78Å
97	K	91.1	Very high	93.1	Very high	42 Å²	42	29.6 Å²	29.6	18%	0.183	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-47.9	179.9	-171.5	-179.3	-172.3	-178.1	0	111.7	D93 I95 Q101 E299	D93-K97 WeakPolarHBondContact O-CB 3.48Å; D93-K97 PolarHBondContact O-N 2.93Å; I95-K97 PolarHBondContact O-N 2.96Å; K97-Q101 WeakPolarHBondContact O-CB 3.39Å; K97-Q101 WeakPolarHBondContact O-CG 3.32Å; K97-Q101 PolarHBondContact O-N 2.83Å; K97-E299 IonicContact NZ-OE2 3.18Å; K97-E299 PolarHBondContact NZ-OE2 3.45Å
98	R	91.6	Very high	92.8	Very high	76 Å²	76	30.7 Å²	30.7	29%	0.287	14%	0.137	S	C	.	.	H	α-helix	trans	-67.6	-38	-177	-170.9	61.4	167.4	174.1	-1.4	112.5	K94 I95 I96 K102 D184 L207	K94-R98 VanDerWaalsContact O-CB 3.22Å; K94-R98 WeakPolarHBondContact O-CB 3.08Å; K94-R98 PolarHBondContact O-N 3.48Å; I95-R98 PolarHBondContact O-N 3.02Å; I96-R98 PolarHBondContact O-N 3.44Å; R98-K102 WeakPolarHBondContact O-CB 3.3Å; R98-K102 PolarHBondContact O-N 3.26Å; R98-D184 IonicContact NH1-OD1 3.75Å; R98-L207 HydrophobicContact CB-CD2 3.87Å; R98-L207 HydrophobicContact CG-CD2 3.93Å
99	A	93.3	Very high	92.4	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-46.6	179.1	0	0	0	0	0	110.8	I95 I96 K102 H103 I203 F204 L207	I95-A99 WeakPolarHBondContact O-CB 3.49Å; I95-A99 PolarHBondContact O-N 3.18Å; I96-A99 PolarHBondContact O-N 3.44Å; A99-K102 PolarHBondContact O-N 2.89Å; A99-H103 VanDerWaalsContact O-CB 3.31Å; A99-H103 WeakPolarHBondContact O-CB 3.19Å; A99-H103 PolarHBondContact O-N 2.98Å; A99-I203 HydrophobicContact CB-CG2 4.31Å; A99-F204 HydrophobicContact CB-CD1 3.6Å; A99-F204 HydrophobicContact CB-CE1 4.16Å; A99-F204 HydrophobicContact CB-CG 4.4Å; A99-L207 HydrophobicContact CB-CB 4.07Å; A99-L207 HydrophobicContact CB-CD2 3.91Å; A99-L207 HydrophobicContact CB-CG 4.48Å
100	R	92.8	Very high	92.1	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.019	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-49	174.8	-67.6	-178.2	-22.1	-151.9	-4.7	112	I96 K102 H103 L104 D191 V198 F204 G325	I96-R100 WeakPolarHBondContact O-CG 3.07Å; I96-R100 PolarHBondContact O-N 2.85Å; I96-R100 VanDerWaalsContact O-N 3.12Å; R100-K102 VanDerWaalsContact C-N 3.31Å; R100-K102 PolarHBondContact O-N 3.23Å; R100-H103 PolarHBondContact O-N 2.98Å; R100-L104 VanDerWaalsContact O-CB 3.3Å; R100-L104 WeakPolarHBondContact O-CB 3.38Å; R100-L104 VanDerWaalsContact O-CG 3.25Å; R100-L104 WeakPolarHBondContact O-CG 3.47Å; R100-L104 PolarHBondContact O-N 3.45Å; R100-D191 VanDerWaalsContact CB-OD1 3.23Å; R100-D191 WeakPolarHBondContact CB-OD1 3.49Å; R100-D191 IonicContact CZ-OD1 3.49Å; R100-D191 VanDerWaalsContact CZ-OD1 3.3Å; R100-D191 IonicContact CZ-OD2 3.44Å; R100-D191 IonicContact NE-OD1 3.18Å; R100-D191 PolarHBondContact NE-OD1 3.34Å; R100-D191 IonicContact NE-OD2 3.16Å; R100-D191 VanDerWaalsContact NH2-CG 3.32Å; R100-D191 IonicContact NH2-OD1 3.21Å; R100-D191 PolarHBondContact NH2-OD1 3.43Å; R100-D191 VanDerWaalsContact NH2-OD1 3.1Å; R100-D191 IonicContact NH2-OD2 2.89Å; R100-D191 PolarHBondContact NH2-OD2 2.88Å; R100-V198 HydrophobicContact CG-CB 4.08Å; R100-V198 HydrophobicContact CG-CG1 4.04Å; R100-V198 HydrophobicContact CG-CG2 4.38Å; R100-F204 HydrophobicContact CG-CE1 3.84Å; R100-F204 HydrophobicContact CG-CZ 4.1Å; R100-G325 WeakPolarHBondContact CD-O 3.42Å; R100-G325 PolarHBondContact NH1-O 3.05Å
101	Q	92.2	Very high	91.7	Very high	17 Å²	17	44.3 Å²	44.3	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-54.8	-47.2	178	-79.8	178.4	-12.2	0	0	111.9	K97 L105 D191	K97-Q101 WeakPolarHBondContact O-CB 3.39Å; K97-Q101 WeakPolarHBondContact O-CG 3.32Å; K97-Q101 PolarHBondContact O-N 2.83Å; Q101-L105 VanDerWaalsContact O-CB 3.22Å; Q101-L105 WeakPolarHBondContact O-CB 3.46Å; Q101-L105 PolarHBondContact O-N 3.47Å; Q101-D191 HydrophobicContact CG-CB 3.87Å
102	K	91.9	Very high	91.4	Very high	83 Å²	83	51.8 Å²	51.8	36%	0.361	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-49.9	177.5	-176.5	-179.8	173.8	-174.3	0	111.3	R98 A99 R100 L105 E106 L207	R98-K102 WeakPolarHBondContact O-CB 3.3Å; R98-K102 PolarHBondContact O-N 3.26Å; A99-K102 PolarHBondContact O-N 2.89Å; R100-K102 VanDerWaalsContact C-N 3.31Å; R100-K102 PolarHBondContact O-N 3.23Å; K102-L105 PolarHBondContact O-N 3.3Å; K102-E106 WeakPolarHBondContact CE-OE1 3.43Å; K102-E106 WeakPolarHBondContact CG-OE1 3.44Å; K102-E106 WeakPolarHBondContact O-CB 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.41Å; K102-E106 PolarHBondContact O-N 3.32Å; K102-L207 HydrophobicContact CD-CD1 3.7Å
103	H	92.5	Very high	91.1	Very high	58 Å²	58	51.9 Å²	51.9	27%	0.269	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-47.1	-179.2	177.5	76.4	0	0	0	112.6	A99 R100 L105 E106 K107 I203	A99-H103 VanDerWaalsContact O-CB 3.31Å; A99-H103 WeakPolarHBondContact O-CB 3.19Å; A99-H103 PolarHBondContact O-N 2.98Å; R100-H103 PolarHBondContact O-N 2.98Å; H103-L105 VanDerWaalsContact C-N 3.35Å; H103-L105 PolarHBondContact O-N 3.06Å; H103-E106 PolarHBondContact O-N 3.28Å; H103-K107 VanDerWaalsContact O-CB 3.29Å; H103-K107 WeakPolarHBondContact O-CB 3.17Å; H103-K107 PolarHBondContact O-N 3.39Å; H103-I203 HydrophobicContact CB-CG2 3.71Å
104	L	92.5	Very high	90.8	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-39.3	179.5	-69.6	171.9	0	0	0	111.5	R100 Y108 L190 D191 Q194 V198	R100-L104 VanDerWaalsContact O-CB 3.3Å; R100-L104 WeakPolarHBondContact O-CB 3.38Å; R100-L104 VanDerWaalsContact O-CG 3.25Å; R100-L104 WeakPolarHBondContact O-CG 3.47Å; R100-L104 PolarHBondContact O-N 3.45Å; L104-Y108 WeakPolarHBondContact O-CB 3.48Å; L104-Y108 PolarHBondContact O-N 2.87Å; L104-L190 HydrophobicContact CB-CB 4.14Å; L104-D191 HydrophobicContact CD1-CB 4.28Å; L104-Q194 HydrophobicContact CD1-CB 4.14Å; L104-Q194 HydrophobicContact CD2-CB 3.89Å; L104-V198 HydrophobicContact CD1-CG2 4.35Å; L104-V198 HydrophobicContact CD2-CG2 3.82Å; L104-V198 HydrophobicContact CG-CG2 4Å
105	L	91.5	Very high	90.5	Very high	22 Å²	22	53.5 Å²	53.5	12%	0.115	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-45.8	174.7	-178.9	63.2	0	0	0	111.6	Q101 K102 H103 Y108 L109 A183 L186 L190	Q101-L105 VanDerWaalsContact O-CB 3.22Å; Q101-L105 WeakPolarHBondContact O-CB 3.46Å; Q101-L105 PolarHBondContact O-N 3.47Å; K102-L105 PolarHBondContact O-N 3.3Å; H103-L105 VanDerWaalsContact C-N 3.35Å; H103-L105 PolarHBondContact O-N 3.06Å; L105-Y108 PolarHBondContact O-N 2.93Å; L105-L109 HydrophobicContact CD1-CD1 4.26Å; L105-L109 HydrophobicContact CD1-CG 4.3Å; L105-L109 HydrophobicContact CG-CD1 4.14Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.2Å; L105-A183 HydrophobicContact CD2-CB 3.97Å; L105-L186 HydrophobicContact CD1-CD2 3.75Å; L105-L186 HydrophobicContact CD1-CG 4.08Å; L105-L190 HydrophobicContact CD1-CD1 4.25Å
106	E	91.6	Very high	90.1	Very high	84 Å²	84	57.7 Å²	57.7	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-46.3	176.9	-75.2	172	-179.5	0	0	111.3	K102 H103 Y108 L109 Q110	K102-E106 WeakPolarHBondContact CE-OE1 3.43Å; K102-E106 WeakPolarHBondContact CG-OE1 3.44Å; K102-E106 WeakPolarHBondContact O-CB 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.41Å; K102-E106 PolarHBondContact O-N 3.32Å; H103-E106 PolarHBondContact O-N 3.28Å; E106-Y108 VanDerWaalsContact C-N 3.35Å; E106-Y108 PolarHBondContact O-N 3.05Å; E106-L109 PolarHBondContact O-N 2.84Å; E106-Q110 WeakPolarHBondContact O-CB 3.42Å; E106-Q110 WeakPolarHBondContact O-CG 3.48Å; E106-Q110 PolarHBondContact O-N 3.14Å
107	K	91.9	Very high	89.9	Confident	108 Å²	108	59.2 Å²	59.2	47%	0.47	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-42.1	175.9	-173.6	-179.8	-179.1	-178.9	0	112.1	H103 Q110 S111	H103-K107 VanDerWaalsContact O-CB 3.29Å; H103-K107 WeakPolarHBondContact O-CB 3.17Å; H103-K107 PolarHBondContact O-N 3.39Å; K107-Q110 PolarHBondContact O-N 3.37Å; K107-S111 PolarHBondContact O-N 3.45Å
108	Y	91.2	Very high	89.8	Confident	25 Å²	25	57.2 Å²	57.2	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-45.9	176.1	175.7	-99.2	0	0	0	111.4	L104 L105 E106 Q110 S111 P113 F118 D121 L186 L190	L104-Y108 WeakPolarHBondContact O-CB 3.48Å; L104-Y108 PolarHBondContact O-N 2.87Å; L105-Y108 PolarHBondContact O-N 2.93Å; E106-Y108 VanDerWaalsContact C-N 3.35Å; E106-Y108 PolarHBondContact O-N 3.05Å; Y108-Q110 PolarHBondContact O-N 3.32Å; Y108-S111 PolarHBondContact O-N 3.5Å; Y108-S111 PolarHBondContact O-OG 2.74Å; Y108-P113 HydrophobicContact CD1-CG 4.42Å; Y108-P113 HydrophobicContact CE1-CG 3.8Å; Y108-P113 HydrophobicContact CE2-CB 4.26Å; Y108-P113 HydrophobicContact CE2-CG 4.11Å; Y108-P113 VanDerWaalsContact O-CD 3.3Å; Y108-P113 WeakPolarHBondContact O-CD 3.35Å; Y108-F118 AromaticContact CE1-CD2 3.86Å; Y108-F118 HydrophobicContact CE1-CD2 3.86Å; Y108-F118 HydrophobicContact CE1-CE2 4.22Å; Y108-F118 WeakPolarHBondContact OH-CA 3.27Å; Y108-D121 VanDerWaalsContact CE2-OD2 3.31Å; Y108-D121 WeakPolarHBondContact CE2-OD2 3.47Å; Y108-D121 WeakPolarHBondContact OH-CB 3.49Å; Y108-D121 PolarHBondContact OH-OD2 3.03Å; Y108-L186 HydrophobicContact CD1-CD2 4.16Å; Y108-L186 HydrophobicContact CE1-CD1 4.49Å; Y108-L186 HydrophobicContact CE1-CD2 3.89Å; Y108-L190 HydrophobicContact CD1-CD1 4.19Å; Y108-L190 HydrophobicContact CD2-CD1 4.42Å; Y108-L190 HydrophobicContact CD2-CD2 3.91Å; Y108-L190 HydrophobicContact CE2-CD2 4.48Å; Y108-L190 HydrophobicContact CG-CD1 3.85Å; Y108-L190 HydrophobicContact CG-CD2 4.18Å
109	L	89.1	Confident	89.6	Confident	62 Å²	62	54.1 Å²	54.1	33%	0.325	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-38.1	177.8	-66.8	173.6	0	0	0	112.4	L105 E106 S111 E112 V179	L105-L109 HydrophobicContact CD1-CD1 4.26Å; L105-L109 HydrophobicContact CD1-CG 4.3Å; L105-L109 HydrophobicContact CG-CD1 4.14Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.2Å; E106-L109 PolarHBondContact O-N 2.84Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 3.39Å; L109-E112 PolarHBondContact O-N 3.26Å; L109-V179 HydrophobicContact CD1-CG1 3.86Å; L109-V179 HydrophobicContact CD2-CG1 4.22Å; L109-V179 HydrophobicContact CD2-CG2 3.72Å
110	Q	91	Very high	89.5	Confident	150 Å²	150	57.4 Å²	57.4	70%	0.701	30%	0.297	S	S	*	.	H	α-helix	trans	-66.9	-26.1	175.2	-74.1	170.9	9.8	0	0	113.3	E106 K107 Y108 E112	E106-Q110 WeakPolarHBondContact O-CB 3.42Å; E106-Q110 WeakPolarHBondContact O-CG 3.48Å; E106-Q110 PolarHBondContact O-N 3.14Å; K107-Q110 PolarHBondContact O-N 3.37Å; Y108-Q110 PolarHBondContact O-N 3.32Å; Q110-E112 PolarHBondContact O-N 3.38Å
111	S	89.8	Confident	89.5	Confident	80 Å²	80	58.7 Å²	58.7	56%	0.559	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-5.7	174.8	75.1	0	0	0	0	113.9	K107 Y108 L109	K107-S111 PolarHBondContact O-N 3.45Å; Y108-S111 PolarHBondContact O-N 3.5Å; Y108-S111 PolarHBondContact O-OG 2.74Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 3.39Å
112	E	86.2	Confident	89.4	Confident	164 Å²	164	58.1 Å²	58.1	77%	0.766	30%	0.301	S	S	*	.			trans	47.4	62.3	-179.8	-64.9	-172.4	172.5	0	0	113.4	L109 Q110 S114	L109-E112 PolarHBondContact O-N 3.26Å; Q110-E112 PolarHBondContact O-N 3.38Å; E112-S114 PolarHBondContact O-N 3.15Å
113	P	85.5	Confident	89.3	Confident	18 Å²	18	57.8 Å²	57.8	12%	0.117	30%	0.3	C	S	.	.			trans	-60	139.9	-179.9	25.9	-35.1	0	0	0	110.1	Y108 F118 K175	Y108-P113 HydrophobicContact CD1-CG 4.42Å; Y108-P113 HydrophobicContact CE1-CG 3.8Å; Y108-P113 HydrophobicContact CE2-CB 4.26Å; Y108-P113 HydrophobicContact CE2-CG 4.11Å; Y108-P113 VanDerWaalsContact O-CD 3.3Å; Y108-P113 WeakPolarHBondContact O-CD 3.35Å; P113-F118 HydrophobicContact CG-CB 4.38Å; P113-F118 HydrophobicContact CG-CD2 4.42Å; P113-K175 PolarHBondContact O-NZ 3.47Å
114	S	85.5	Confident	89.3	Confident	78 Å²	78	58.2 Å²	58.2	55%	0.545	30%	0.304	S	S	.	.			trans	-54.3	148.8	175.9	75.3	0	0	0	0	110.1	E112 Q116 A117 F118	E112-S114 PolarHBondContact O-N 3.15Å; S114-Q116 PolarHBondContact O-N 3.14Å; S114-Q116 VanDerWaalsContact O-N 3.14Å; S114-A117 PolarHBondContact O-N 2.93Å; S114-A117 WeakPolarHBondContact OG-CB 3.3Å; S114-A117 PolarHBondContact OG-N 3.05Å; S114-F118 PolarHBondContact O-N 3.4Å
115	T	82.9	Confident	89.3	Confident	42 Å²	42	58.2 Å²	58.2	26%	0.258	31%	0.305	S	S	.	.	H	α-helix	trans	-56.2	-37.3	-174.5	-48.1	0	0	0	0	112.6	L119 F159 F163 I171	T115-L119 WeakPolarHBondContact O-CB 3.28Å; T115-L119 PolarHBondContact O-N 2.96Å; T115-F159 HydrophobicContact CG2-CE1 4.1Å; T115-F159 HydrophobicContact CG2-CZ 3.6Å; T115-F163 HydrophobicContact CG2-CD2 3.47Å; T115-F163 VanDerWaalsContact CG2-CD2 3.47Å; T115-F163 HydrophobicContact CG2-CE2 3.4Å; T115-F163 HydrophobicContact CG2-CZ 4.38Å; T115-I171 HydrophobicContact CG2-CG2 4.08Å
116	Q	85.4	Confident	89.4	Confident	91 Å²	91	60.9 Å²	60.9	43%	0.425	31%	0.313	S	S	.	.	H	α-helix	trans	-69.2	-41.4	175.9	-171.5	61.7	54.3	0	0	112.6	S114 L119 N120	S114-Q116 PolarHBondContact O-N 3.14Å; S114-Q116 VanDerWaalsContact O-N 3.14Å; Q116-L119 PolarHBondContact O-N 3.43Å; Q116-N120 PolarHBondContact NE2-OD1 2.77Å; Q116-N120 VanDerWaalsContact O-CG 3.24Å; Q116-N120 PolarHBondContact O-N 2.8Å; Q116-N120 VanDerWaalsContact O-N 3.08Å; Q116-N120 PolarHBondContact O-ND2 3.13Å
117	A	88.9	Confident	89.4	Confident	33 Å²	33	62.9 Å²	62.9	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-46.4	176.2	0	0	0	0	0	110.7	S114 L119 N120 D121	S114-A117 PolarHBondContact O-N 2.93Å; S114-A117 WeakPolarHBondContact OG-CB 3.3Å; S114-A117 PolarHBondContact OG-N 3.05Å; A117-L119 VanDerWaalsContact C-N 3.33Å; A117-L119 PolarHBondContact O-N 3.24Å; A117-N120 PolarHBondContact O-N 3.23Å; A117-N120 VanDerWaalsContact O-N 3.14Å; A117-D121 PolarHBondContact O-N 3.04Å
118	F	89.1	Confident	89.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-55.9	-45.9	175.7	179	-101.2	0	0	0	112.5	Y108 P113 S114 N120 D121 V122 F159 K175 V178 V179 L186	Y108-F118 AromaticContact CE1-CD2 3.86Å; Y108-F118 HydrophobicContact CE1-CD2 3.86Å; Y108-F118 HydrophobicContact CE1-CE2 4.22Å; Y108-F118 WeakPolarHBondContact OH-CA 3.27Å; P113-F118 HydrophobicContact CG-CB 4.38Å; P113-F118 HydrophobicContact CG-CD2 4.42Å; S114-F118 PolarHBondContact O-N 3.4Å; F118-N120 VanDerWaalsContact C-N 3.34Å; F118-N120 PolarHBondContact O-N 3.16Å; F118-D121 PolarHBondContact O-N 3.45Å; F118-V122 HydrophobicContact CD1-CG2 4.37Å; F118-V122 HydrophobicContact CD2-CG2 4.29Å; F118-V122 HydrophobicContact CE1-CG2 3.96Å; F118-V122 HydrophobicContact CE2-CG2 3.87Å; F118-V122 HydrophobicContact CZ-CG2 3.68Å; F118-V122 VanDerWaalsContact O-CG2 3.27Å; F118-V122 WeakPolarHBondContact O-CG2 3.43Å; F118-V122 PolarHBondContact O-N 2.97Å; F118-F159 HydrophobicContact CD1-CE1 4.43Å; F118-F159 HydrophobicContact CD1-CZ 4.47Å; F118-K175 HydrophobicContact CD1-CD 4.41Å; F118-K175 HydrophobicContact CD1-CG 4.01Å; F118-K175 HydrophobicContact CE1-CG 3.8Å; F118-K175 HydrophobicContact CZ-CG 4.15Å; F118-V178 HydrophobicContact CE1-CB 4.11Å; F118-V178 HydrophobicContact CE1-CG1 3.77Å; F118-V178 HydrophobicContact CZ-CB 4.33Å; F118-V178 HydrophobicContact CZ-CG1 3.93Å; F118-V179 HydrophobicContact CE2-CG2 3.73Å; F118-V179 HydrophobicContact CZ-CG2 3.52Å; F118-L186 HydrophobicContact CE2-CD2 4.07Å
119	L	86.8	Confident	89.2	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.063	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-42.9	178	-172.1	71.5	0	0	0	111.8	T115 Q116 A117 K123 L156 F159 E160	T115-L119 WeakPolarHBondContact O-CB 3.28Å; T115-L119 PolarHBondContact O-N 2.96Å; Q116-L119 PolarHBondContact O-N 3.43Å; A117-L119 VanDerWaalsContact C-N 3.33Å; A117-L119 PolarHBondContact O-N 3.24Å; L119-K123 HydrophobicContact CG-CD 4.46Å; L119-K123 WeakPolarHBondContact O-CB 3.29Å; L119-K123 WeakPolarHBondContact O-CG 3.37Å; L119-K123 PolarHBondContact O-N 3.01Å; L119-L156 HydrophobicContact CD1-CD2 4.14Å; L119-F159 HydrophobicContact CD1-CD1 3.96Å; L119-F159 HydrophobicContact CD1-CE1 4.18Å; L119-E160 HydrophobicContact CD1-CG 3.93Å; L119-E160 HydrophobicContact CD2-CG 4.36Å
120	N	90.8	Very high	89.3	Confident	72 Å²	72	60.2 Å²	60.2	39%	0.385	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-44.6	178.7	-69.5	-11.2	0	0	0	111.4	Q116 A117 F118 V122 K123 N124	Q116-N120 PolarHBondContact NE2-OD1 2.77Å; Q116-N120 VanDerWaalsContact O-CG 3.24Å; Q116-N120 PolarHBondContact O-N 2.8Å; Q116-N120 VanDerWaalsContact O-N 3.08Å; Q116-N120 PolarHBondContact O-ND2 3.13Å; A117-N120 PolarHBondContact O-N 3.23Å; A117-N120 VanDerWaalsContact O-N 3.14Å; F118-N120 VanDerWaalsContact C-N 3.34Å; F118-N120 PolarHBondContact O-N 3.16Å; N120-V122 PolarHBondContact O-N 3.29Å; N120-K123 PolarHBondContact O-N 2.76Å; N120-N124 VanDerWaalsContact O-CG 3.23Å; N120-N124 PolarHBondContact O-N 3.19Å; N120-N124 PolarHBondContact O-ND2 3.12Å
121	D	92.2	Very high	89.3	Confident	32 Å²	32	55.1 Å²	55.1	17%	0.171	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-43.5	179.5	-66.1	-20	0	0	0	111.5	Y108 A117 F118 K123 N124 A125 L186 W189	Y108-D121 VanDerWaalsContact CE2-OD2 3.31Å; Y108-D121 WeakPolarHBondContact CE2-OD2 3.47Å; Y108-D121 WeakPolarHBondContact OH-CB 3.49Å; Y108-D121 PolarHBondContact OH-OD2 3.03Å; A117-D121 PolarHBondContact O-N 3.04Å; F118-D121 PolarHBondContact O-N 3.45Å; D121-K123 VanDerWaalsContact C-N 3.33Å; D121-K123 PolarHBondContact O-N 2.83Å; D121-N124 PolarHBondContact O-N 2.65Å; D121-A125 WeakPolarHBondContact O-CB 3.39Å; D121-A125 PolarHBondContact O-N 3.31Å; D121-L186 HydrophobicContact CB-CD1 4.43Å; D121-W189 HydrophobicContact CB-CH2 4.18Å; D121-W189 HydrophobicContact CB-CZ3 3.9Å
122	V	90.9	Very high	89.1	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.024	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-37.5	176.3	177.3	0	0	0	0	111.4	F118 N120 R126 L152 L156 V178 L186	F118-V122 HydrophobicContact CD1-CG2 4.37Å; F118-V122 HydrophobicContact CD2-CG2 4.29Å; F118-V122 HydrophobicContact CE1-CG2 3.96Å; F118-V122 HydrophobicContact CE2-CG2 3.87Å; F118-V122 HydrophobicContact CZ-CG2 3.68Å; F118-V122 VanDerWaalsContact O-CG2 3.27Å; F118-V122 WeakPolarHBondContact O-CG2 3.43Å; F118-V122 PolarHBondContact O-N 2.97Å; N120-V122 PolarHBondContact O-N 3.29Å; V122-R126 WeakPolarHBondContact O-CB 3.5Å; V122-R126 PolarHBondContact O-N 2.88Å; V122-L152 HydrophobicContact CG1-CD1 3.91Å; V122-L152 HydrophobicContact CG1-CD2 4.21Å; V122-L156 HydrophobicContact CB-CD2 4.45Å; V122-L156 HydrophobicContact CG1-CD1 4.06Å; V122-L156 HydrophobicContact CG1-CD2 3.77Å; V122-L156 HydrophobicContact CG1-CG 4.28Å; V122-V178 HydrophobicContact CG1-CG1 4.09Å; V122-V178 HydrophobicContact CG2-CG1 4.27Å; V122-L186 HydrophobicContact CG2-CD1 4.36Å; V122-L186 HydrophobicContact CG2-CD2 4.32Å
123	K	90.7	Very high	89.2	Confident	77 Å²	77	48.3 Å²	48.3	34%	0.335	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-40.6	174.2	-77.1	177.5	179.6	-179.3	0	112.2	L119 N120 D121 R126 Q127 E160	L119-K123 HydrophobicContact CG-CD 4.46Å; L119-K123 WeakPolarHBondContact O-CB 3.29Å; L119-K123 WeakPolarHBondContact O-CG 3.37Å; L119-K123 PolarHBondContact O-N 3.01Å; N120-K123 PolarHBondContact O-N 2.76Å; D121-K123 VanDerWaalsContact C-N 3.33Å; D121-K123 PolarHBondContact O-N 2.83Å; K123-R126 WeakPolarHBondContact O-CB 3.32Å; K123-R126 PolarHBondContact O-N 3.35Å; K123-Q127 WeakPolarHBondContact O-CG 3.49Å; K123-Q127 PolarHBondContact O-N 3.33Å; K123-E160 WeakPolarHBondContact CE-OE1 3.39Å; K123-E160 IonicContact NZ-OE1 3.01Å; K123-E160 PolarHBondContact NZ-OE1 3.34Å
124	N	92.4	Very high	89.3	Confident	66 Å²	66	53.6 Å²	53.6	35%	0.353	28%	0.278	S	S	.	.	H	α-helix	trans	-65.5	-47	175.8	-67	-23.5	0	0	0	111.2	N120 D121 R126 Q127 E128 W189	N120-N124 VanDerWaalsContact O-CG 3.23Å; N120-N124 PolarHBondContact O-N 3.19Å; N120-N124 PolarHBondContact O-ND2 3.12Å; D121-N124 PolarHBondContact O-N 2.65Å; N124-R126 VanDerWaalsContact C-N 3.27Å; N124-R126 PolarHBondContact O-N 3.34Å; N124-Q127 WeakPolarHBondContact O-CB 3.41Å; N124-Q127 PolarHBondContact O-N 3.25Å; N124-E128 PolarHBondContact O-N 2.9Å; N124-E128 VanDerWaalsContact O-N 3.1Å; N124-W189 HydrophobicContact CB-CZ2 4.14Å
125	A	92.3	Very high	89.4	Confident	3 Å²	3	56.2 Å²	56.2	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-56.6	-42.6	175.4	0	0	0	0	0	111.7	D121 Y129 L186 W189	D121-A125 WeakPolarHBondContact O-CB 3.39Å; D121-A125 PolarHBondContact O-N 3.31Å; A125-Y129 WeakPolarHBondContact O-CB 3.43Å; A125-Y129 PolarHBondContact O-N 3.2Å; A125-L186 HydrophobicContact CB-CD1 4.36Å; A125-W189 HydrophobicContact CB-CB 3.49Å; A125-W189 VanDerWaalsContact CB-CB 3.49Å; A125-W189 HydrophobicContact CB-CD2 4.26Å; A125-W189 HydrophobicContact CB-CG 3.71Å
126	R	92.2	Very high	89.4	Confident	77 Å²	77	55.7 Å²	55.7	29%	0.291	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-44.5	174.4	-176.9	-167.6	177.4	-83.4	1	112.2	V122 K123 N124 Y129 V130 L149 L152 D153	V122-R126 WeakPolarHBondContact O-CB 3.5Å; V122-R126 PolarHBondContact O-N 2.88Å; K123-R126 WeakPolarHBondContact O-CB 3.32Å; K123-R126 PolarHBondContact O-N 3.35Å; N124-R126 VanDerWaalsContact C-N 3.27Å; N124-R126 PolarHBondContact O-N 3.34Å; R126-Y129 WeakPolarHBondContact O-CB 3.4Å; R126-Y129 PolarHBondContact O-N 3.12Å; R126-V130 WeakPolarHBondContact O-CG2 3.46Å; R126-V130 PolarHBondContact O-N 3.25Å; R126-L149 HydrophobicContact CG-CD2 3.8Å; R126-L152 HydrophobicContact CB-CD2 4.07Å; R126-L152 HydrophobicContact CG-CD2 4.2Å; R126-D153 WeakPolarHBondContact CD-OD1 3.38Å; R126-D153 IonicContact CZ-OD1 3.64Å; R126-D153 IonicContact CZ-OD2 3.83Å; R126-D153 IonicContact NE-OD1 2.75Å; R126-D153 PolarHBondContact NE-OD1 2.9Å; R126-D153 IonicContact NE-OD2 3.33Å; R126-D153 IonicContact NH2-OD1 2.75Å; R126-D153 PolarHBondContact NH2-OD1 3.07Å; R126-D153 IonicContact NH2-OD2 2.73Å; R126-D153 PolarHBondContact NH2-OD2 3.04Å
127	Q	91.8	Very high	89.2	Confident	126 Å²	126	57 Å²	57	59%	0.589	30%	0.297	S	S	*	.	H	α-helix	trans	-61.9	-46	-179.7	-74.6	176	4.6	0	0	112	K123 N124 Y129 V130 A131	K123-Q127 WeakPolarHBondContact O-CG 3.49Å; K123-Q127 PolarHBondContact O-N 3.33Å; N124-Q127 WeakPolarHBondContact O-CB 3.41Å; N124-Q127 PolarHBondContact O-N 3.25Å; Q127-Y129 VanDerWaalsContact C-N 3.28Å; Q127-Y129 PolarHBondContact O-N 3.2Å; Q127-V130 PolarHBondContact O-N 3.02Å; Q127-A131 PolarHBondContact O-N 3.05Å; Q127-A131 VanDerWaalsContact O-N 3.11Å
128	E	89.6	Confident	88.7	Confident	99 Å²	99	58.5 Å²	58.5	46%	0.463	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-38.2	174.7	-73.3	-173	-153.6	0	0	111.8	N124 A131 K132 W189	N124-E128 PolarHBondContact O-N 2.9Å; N124-E128 VanDerWaalsContact O-N 3.1Å; E128-A131 PolarHBondContact O-N 3.16Å; E128-K132 PolarHBondContact O-N 2.93Å; E128-W189 PolarHBondContact OE1-NE1 3.39Å; E128-W189 VanDerWaalsContact OE1-NE1 3.11Å
129	Y	89.6	Confident	88.4	Confident	10 Å²	10	62.9 Å²	62.9	4%	0.039	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-37.6	177.9	-155.9	-101.6	0	0	0	113.1	A125 R126 Q127 K132 M133 Y145 Q148 L149 M185	A125-Y129 WeakPolarHBondContact O-CB 3.43Å; A125-Y129 PolarHBondContact O-N 3.2Å; R126-Y129 WeakPolarHBondContact O-CB 3.4Å; R126-Y129 PolarHBondContact O-N 3.12Å; Q127-Y129 VanDerWaalsContact C-N 3.28Å; Q127-Y129 PolarHBondContact O-N 3.2Å; Y129-K132 PolarHBondContact O-N 3.3Å; Y129-M133 PolarHBondContact O-N 2.84Å; Y129-Y145 HydrophobicContact CD1-CD1 4.47Å; Y129-Y145 AromaticContact CE1-CD1 3.49Å; Y129-Y145 HydrophobicContact CE1-CD1 3.49Å; Y129-Y145 VanDerWaalsContact CE1-CD1 3.49Å; Y129-Y145 HydrophobicContact CE1-CE1 4.21Å; Y129-Y145 HydrophobicContact CE1-CG 4.28Å; Y129-Y145 HydrophobicContact CE2-CD1 4.36Å; Y129-Y145 HydrophobicContact CE2-CE1 4.27Å; Y129-Y145 AromaticContact CZ-CD1 3.44Å; Y129-Y145 VanDerWaalsContact CZ-CD1 3.44Å; Y129-Y145 AromaticContact CZ-CE1 3.7Å; Y129-Y145 WeakPolarHBondContact OH-CD1 3.46Å; Y129-Y145 WeakPolarHBondContact OH-CE1 3.27Å; Y129-Q148 HydrophobicContact CE1-CB 4.45Å; Y129-Q148 PolarHBondContact OH-OE1 3.03Å; Y129-L149 HydrophobicContact CD1-CD1 4.37Å; Y129-L149 HydrophobicContact CD1-CD2 3.94Å; Y129-L149 HydrophobicContact CD1-CG 4Å; Y129-L149 HydrophobicContact CE1-CG 4.48Å; Y129-M185 HydrophobicContact CD1-CE 3.9Å; Y129-M185 HydrophobicContact CD1-CG 3.87Å; Y129-M185 HydrophobicContact CD1-SD 3.75Å; Y129-M185 HydrophobicContact CD2-CB 4.15Å; Y129-M185 HydrophobicContact CD2-CG 3.71Å; Y129-M185 HydrophobicContact CE1-CE 3.82Å; Y129-M185 HydrophobicContact CE1-CG 4.04Å; Y129-M185 HydrophobicContact CE1-SD 4.19Å; Y129-M185 HydrophobicContact CE2-CG 3.89Å; Y129-M185 HydrophobicContact CG-CB 4.29Å; Y129-M185 HydrophobicContact CG-CG 3.67Å; Y129-M185 HydrophobicContact CG-SD 3.93Å
130	V	91.2	Very high	87.8	Confident	30 Å²	30	66.6 Å²	66.6	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-46.3	173.2	171.1	0	0	0	0	110.6	R126 Q127 K132 M133 E134 L149	R126-V130 WeakPolarHBondContact O-CG2 3.46Å; R126-V130 PolarHBondContact O-N 3.25Å; Q127-V130 PolarHBondContact O-N 3.02Å; V130-K132 VanDerWaalsContact C-N 3.25Å; V130-K132 PolarHBondContact O-N 3.22Å; V130-M133 WeakPolarHBondContact O-CB 3.28Å; V130-M133 PolarHBondContact O-N 2.96Å; V130-M133 VanDerWaalsContact O-N 3.09Å; V130-E134 HydrophobicContact CG1-CG 4.48Å; V130-E134 WeakPolarHBondContact O-CG 3.37Å; V130-E134 PolarHBondContact O-N 3.43Å; V130-L149 HydrophobicContact CG2-CD1 3.79Å; V130-L149 HydrophobicContact CG2-CD2 3.88Å
131	A	90.7	Very high	87.2	Confident	43 Å²	43	66.2 Å²	66.2	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-37.2	177.3	0	0	0	0	0	112	Q127 E128 N135	Q127-A131 PolarHBondContact O-N 3.05Å; Q127-A131 VanDerWaalsContact O-N 3.11Å; E128-A131 PolarHBondContact O-N 3.16Å; A131-N135 PolarHBondContact O-N 3.06Å; A131-N135 PolarHBondContact O-ND2 3.44Å
132	K	86.2	Confident	86.9	Confident	74 Å²	74	67 Å²	67	32%	0.322	34%	0.337	S	S	.	.	H	α-helix	trans	-65.4	-42	173.9	-174.1	178.5	175	-174.6	0	112.4	E128 Y129 V130 N135 E136 Y145 E188	E128-K132 PolarHBondContact O-N 2.93Å; Y129-K132 PolarHBondContact O-N 3.3Å; V130-K132 VanDerWaalsContact C-N 3.25Å; V130-K132 PolarHBondContact O-N 3.22Å; K132-N135 PolarHBondContact O-N 2.95Å; K132-E136 PolarHBondContact O-N 3.45Å; K132-Y145 WeakPolarHBondContact CE-OH 3.17Å; K132-E188 IonicContact NZ-OE1 3.54Å; K132-E188 PolarHBondContact NZ-OE1 3.41Å; K132-E188 IonicContact NZ-OE2 2.69Å; K132-E188 PolarHBondContact NZ-OE2 3.17Å
133	M	88	Confident	86.6	Confident	28 Å²	28	70 Å²	70	14%	0.138	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-43	176.1	176	-168.7	74.5	0	0	112.2	Y129 V130 N135 E136 Y145 R146 L149	Y129-M133 PolarHBondContact O-N 2.84Å; V130-M133 WeakPolarHBondContact O-CB 3.28Å; V130-M133 PolarHBondContact O-N 2.96Å; V130-M133 VanDerWaalsContact O-N 3.09Å; M133-N135 VanDerWaalsContact C-N 3.25Å; M133-N135 PolarHBondContact O-N 3.43Å; M133-E136 PolarHBondContact O-N 3.31Å; M133-Y145 HydrophobicContact CB-CD2 3.92Å; M133-Y145 HydrophobicContact CB-CG 4.04Å; M133-Y145 HydrophobicContact CG-CD2 4.05Å; M133-Y145 HydrophobicContact CG-CG 4.19Å; M133-R146 HydrophobicContact SD-CB 4.46Å; M133-R146 HydrophobicContact SD-CG 3.53Å; M133-R146 VanDerWaalsContact SD-CG 3.53Å; M133-L149 HydrophobicContact CE-CD1 4.28Å; M133-L149 HydrophobicContact SD-CD1 3.82Å
134	E	89.1	Confident	86.2	Confident	128 Å²	128	67.3 Å²	67.3	60%	0.598	34%	0.343	S	S	*	.	H	α-helix	trans	-62.3	-35.9	-179.1	-72.5	177.7	165.8	0	0	112	V130 K142	V130-E134 HydrophobicContact CG1-CG 4.48Å; V130-E134 WeakPolarHBondContact O-CG 3.37Å; V130-E134 PolarHBondContact O-N 3.43Å; E134-K142 PolarHBondContact O-NZ 2.9Å
135	N	87	Confident	85.9	Confident	134 Å²	134	65.1 Å²	65.1	72%	0.717	33%	0.329	S	S	*	.	H	α-helix	trans	-84	-8.8	-180	-70.2	-41.3	0	0	0	115.1	A131 K132 M133 P137	A131-N135 PolarHBondContact O-N 3.06Å; A131-N135 PolarHBondContact O-ND2 3.44Å; K132-N135 PolarHBondContact O-N 2.95Å; M133-N135 VanDerWaalsContact C-N 3.25Å; M133-N135 PolarHBondContact O-N 3.43Å; N135-P137 WeakPolarHBondContact O-CD 3.27Å
136	E	83.4	Confident	85.8	Confident	30 Å²	30	69.2 Å²	69.2	14%	0.14	34%	0.344	C	S	.	.			trans	-76	122	-179.3	172.3	60.4	-114.9	0	0	110.9	K132 M133 N138 K141 K142 Y145	K132-E136 PolarHBondContact O-N 3.45Å; M133-E136 PolarHBondContact O-N 3.31Å; E136-N138 HydrophobicContact CG-CB 4.44Å; E136-N138 PolarHBondContact O-N 2.76Å; E136-N138 WeakPolarHBondContact OE1-CB 3.23Å; E136-N138 PolarHBondContact OE1-N 2.86Å; E136-N138 VanDerWaalsContact OE1-N 3.13Å; E136-K141 HydrophobicContact CG-CB 3.66Å; E136-K141 HydrophobicContact CG-CD 4.04Å; E136-K141 IonicContact OE1-NZ 3.13Å; E136-K141 WeakPolarHBondContact OE2-CD 3.34Å; E136-K141 IonicContact OE2-NZ 3.94Å; E136-K141 PolarHBondContact OE2-NZ 3.27Å; E136-K142 HydrophobicContact CB-CG 4.35Å; E136-K142 HydrophobicContact CG-CG 4.44Å; E136-K142 WeakPolarHBondContact O-CE 3.05Å; E136-Y145 HydrophobicContact CB-CD2 4.42Å; E136-Y145 HydrophobicContact CB-CE2 3.97Å; E136-Y145 HydrophobicContact CG-CE2 3.98Å
137	P	80.6	Confident	85.5	Confident	120 Å²	120	72.7 Å²	72.7	78%	0.779	36%	0.361	S	S	*	.			trans	-72	-24.9	-179.3	27	-36.2	0	0	0	114.2	N135	N135-P137 WeakPolarHBondContact O-CD 3.27Å
138	N	78.9	Confident	85.3	Confident	64 Å²	64	68.1 Å²	68.1	34%	0.342	34%	0.34	S	S	.	.			trans	-84.2	119.4	-174.7	-177.3	-58.4	0	0	0	112.4	E136 D140 K141 K142	E136-N138 HydrophobicContact CG-CB 4.44Å; E136-N138 PolarHBondContact O-N 2.76Å; E136-N138 WeakPolarHBondContact OE1-CB 3.23Å; E136-N138 PolarHBondContact OE1-N 2.86Å; E136-N138 VanDerWaalsContact OE1-N 3.13Å; N138-D140 VanDerWaalsContact C-N 3.35Å; N138-D140 PolarHBondContact O-N 2.79Å; N138-D140 WeakPolarHBondContact OD1-CA 3.4Å; N138-D140 WeakPolarHBondContact OD1-CB 3.49Å; N138-D140 PolarHBondContact OD1-N 3.48Å; N138-K141 HydrophobicContact CB-CB 4.17Å; N138-K141 HydrophobicContact CB-CD 4.12Å; N138-K141 HydrophobicContact CB-CG 4.18Å; N138-K141 PolarHBondContact O-N 3.47Å; N138-K141 PolarHBondContact OD1-N 3.09Å; N138-K142 PolarHBondContact O-N 2.99Å
139	E	82.7	Confident	85.4	Confident	92 Å²	92	63.9 Å²	63.9	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-33	-176.6	-165.5	58.4	-144.8	0	0	113.6	K142 N143 R146	E139-K142 WeakPolarHBondContact O-CB 3.32Å; E139-K142 PolarHBondContact O-N 2.78Å; E139-N143 WeakPolarHBondContact O-CB 3.13Å; E139-N143 PolarHBondContact O-N 3.29Å; E139-N143 PolarHBondContact O-ND2 3.2Å; E139-R146 IonicContact OE1-CZ 2.96Å; E139-R146 IonicContact OE1-NH1 3.35Å; E139-R146 PolarHBondContact OE1-NH1 3.25Å; E139-R146 IonicContact OE1-NH2 3.81Å; E139-R146 PolarHBondContact OE1-NH2 3.3Å
140	D	74.5	Confident	85.4	Confident	90 Å²	90	69.1 Å²	69.1	48%	0.481	35%	0.345	S	S	.	.	H	α-helix	trans	-67	-39.6	176.3	-63.6	-37.6	0	0	0	111.1	N138 N143 M144 L407	N138-D140 VanDerWaalsContact C-N 3.35Å; N138-D140 PolarHBondContact O-N 2.79Å; N138-D140 WeakPolarHBondContact OD1-CA 3.4Å; N138-D140 WeakPolarHBondContact OD1-CB 3.49Å; N138-D140 PolarHBondContact OD1-N 3.48Å; D140-N143 WeakPolarHBondContact O-CB 3.43Å; D140-N143 PolarHBondContact O-N 3.05Å; D140-M144 PolarHBondContact O-N 2.76Å; D140-L407 HydrophobicContact CB-CD2 3.47Å; D140-L407 VanDerWaalsContact CB-CD2 3.47Å
141	K	78.4	Confident	85.3	Confident	63 Å²	63	73.5 Å²	73.5	27%	0.274	36%	0.362	S	S	.	.	H	α-helix	trans	-67.6	-38.9	172.3	-72.1	-175.7	-179.9	176.2	0	111.9	E136 N138 N143 M144 Y145 L407	E136-K141 HydrophobicContact CG-CB 3.66Å; E136-K141 HydrophobicContact CG-CD 4.04Å; E136-K141 IonicContact OE1-NZ 3.13Å; E136-K141 WeakPolarHBondContact OE2-CD 3.34Å; E136-K141 IonicContact OE2-NZ 3.94Å; E136-K141 PolarHBondContact OE2-NZ 3.27Å; N138-K141 HydrophobicContact CB-CB 4.17Å; N138-K141 HydrophobicContact CB-CD 4.12Å; N138-K141 HydrophobicContact CB-CG 4.18Å; N138-K141 PolarHBondContact O-N 3.47Å; N138-K141 PolarHBondContact OD1-N 3.09Å; K141-N143 VanDerWaalsContact C-N 3.32Å; K141-N143 PolarHBondContact O-N 2.81Å; K141-M144 WeakPolarHBondContact O-CB 3.47Å; K141-M144 PolarHBondContact O-N 3.38Å; K141-Y145 HydrophobicContact CB-CE2 4.41Å; K141-Y145 WeakPolarHBondContact O-CD2 3.42Å; K141-Y145 PolarHBondContact O-N 3.46Å; K141-L407 HydrophobicContact CG-CD2 4.29Å
142	K	84.9	Confident	85.3	Confident	48 Å²	48	71.5 Å²	71.5	21%	0.209	35%	0.345	C	S	.	.	H	α-helix	trans	-57.8	-45.3	171.4	-72	-163.5	-174.4	-171.7	0	111.4	E134 E136 N138 E139 M144 Y145 R146	E134-K142 PolarHBondContact O-NZ 2.9Å; E136-K142 HydrophobicContact CB-CG 4.35Å; E136-K142 HydrophobicContact CG-CG 4.44Å; E136-K142 WeakPolarHBondContact O-CE 3.05Å; N138-K142 PolarHBondContact O-N 2.99Å; E139-K142 WeakPolarHBondContact O-CB 3.32Å; E139-K142 PolarHBondContact O-N 2.78Å; K142-M144 VanDerWaalsContact C-N 3.31Å; K142-M144 PolarHBondContact O-N 2.99Å; K142-Y145 PolarHBondContact O-N 2.81Å; K142-R146 WeakPolarHBondContact O-CG 3.45Å; K142-R146 PolarHBondContact O-N 2.89Å
143	N	84.3	Confident	85.5	Confident	67 Å²	67	70.5 Å²	70.5	36%	0.358	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-39.1	176.1	-77.7	-37.4	0	0	0	112.5	E139 D140 K141 R146 K147	E139-N143 WeakPolarHBondContact O-CB 3.13Å; E139-N143 PolarHBondContact O-N 3.29Å; E139-N143 PolarHBondContact O-ND2 3.2Å; D140-N143 WeakPolarHBondContact O-CB 3.43Å; D140-N143 PolarHBondContact O-N 3.05Å; K141-N143 VanDerWaalsContact C-N 3.32Å; K141-N143 PolarHBondContact O-N 2.81Å; N143-R146 PolarHBondContact OD1-NH1 3.08Å; N143-K147 WeakPolarHBondContact O-CG 3.42Å; N143-K147 PolarHBondContact O-N 3.44Å; N143-K147 VanDerWaalsContact O-N 3.15Å
144	M	83.1	Confident	85.6	Confident	22 Å²	22	74 Å²	74	11%	0.108	37%	0.367	C	S	.	.	H	α-helix	trans	-60.3	-50.8	172.2	-178	-157.4	72.2	0	0	110.9	D140 K141 K142 R146 K147 Q148 K408	D140-M144 PolarHBondContact O-N 2.76Å; K141-M144 WeakPolarHBondContact O-CB 3.47Å; K141-M144 PolarHBondContact O-N 3.38Å; K142-M144 VanDerWaalsContact C-N 3.31Å; K142-M144 PolarHBondContact O-N 2.99Å; M144-R146 PolarHBondContact O-N 3.12Å; M144-K147 PolarHBondContact O-N 2.72Å; M144-Q148 WeakPolarHBondContact O-CG 3.37Å; M144-Q148 PolarHBondContact O-N 2.73Å; M144-Q148 VanDerWaalsContact O-N 3.08Å; M144-K408 HydrophobicContact CG-CB 4.28Å; M144-K408 HydrophobicContact CG-CD 4.18Å; M144-K408 HydrophobicContact CG-CG 4.38Å; M144-K408 HydrophobicContact SD-CB 4.06Å; M144-K408 HydrophobicContact SD-CD 3.66Å; M144-K408 HydrophobicContact SD-CG 3.64Å
145	Y	86	Confident	85.6	Confident	20 Å²	20	69 Å²	69	8%	0.078	35%	0.346	C	S	.	.	H	α-helix	trans	-58.1	-44.9	178.7	-69.1	-44.9	0	0	0	112.5	Y129 K132 M133 E136 K141 K142 K147 Q148 L149	Y129-Y145 HydrophobicContact CD1-CD1 4.47Å; Y129-Y145 AromaticContact CE1-CD1 3.49Å; Y129-Y145 HydrophobicContact CE1-CD1 3.49Å; Y129-Y145 VanDerWaalsContact CE1-CD1 3.49Å; Y129-Y145 HydrophobicContact CE1-CE1 4.21Å; Y129-Y145 HydrophobicContact CE1-CG 4.28Å; Y129-Y145 HydrophobicContact CE2-CD1 4.36Å; Y129-Y145 HydrophobicContact CE2-CE1 4.27Å; Y129-Y145 AromaticContact CZ-CD1 3.44Å; Y129-Y145 VanDerWaalsContact CZ-CD1 3.44Å; Y129-Y145 AromaticContact CZ-CE1 3.7Å; Y129-Y145 WeakPolarHBondContact OH-CD1 3.46Å; Y129-Y145 WeakPolarHBondContact OH-CE1 3.27Å; K132-Y145 WeakPolarHBondContact CE-OH 3.17Å; M133-Y145 HydrophobicContact CB-CD2 3.92Å; M133-Y145 HydrophobicContact CB-CG 4.04Å; M133-Y145 HydrophobicContact CG-CD2 4.05Å; M133-Y145 HydrophobicContact CG-CG 4.19Å; E136-Y145 HydrophobicContact CB-CD2 4.42Å; E136-Y145 HydrophobicContact CB-CE2 3.97Å; E136-Y145 HydrophobicContact CG-CE2 3.98Å; K141-Y145 HydrophobicContact CB-CE2 4.41Å; K141-Y145 WeakPolarHBondContact O-CD2 3.42Å; K141-Y145 PolarHBondContact O-N 3.46Å; K142-Y145 PolarHBondContact O-N 2.81Å; Y145-K147 PolarHBondContact O-N 2.78Å; Y145-Q148 PolarHBondContact O-N 3.17Å; Y145-L149 WeakPolarHBondContact O-CG 3.36Å; Y145-L149 PolarHBondContact O-N 3.45Å
146	R	89	Confident	85.6	Confident	89 Å²	89	63.2 Å²	63.2	34%	0.336	32%	0.315	S	S	.	.	H	α-helix	trans	-56.3	-48.9	175.7	-70.2	177.4	-162.6	126.9	1.7	111.9	M133 E139 K142 N143 M144 Q148 L149 E150	M133-R146 HydrophobicContact SD-CB 4.46Å; M133-R146 HydrophobicContact SD-CG 3.53Å; M133-R146 VanDerWaalsContact SD-CG 3.53Å; E139-R146 IonicContact OE1-CZ 2.96Å; E139-R146 IonicContact OE1-NH1 3.35Å; E139-R146 PolarHBondContact OE1-NH1 3.25Å; E139-R146 IonicContact OE1-NH2 3.81Å; E139-R146 PolarHBondContact OE1-NH2 3.3Å; K142-R146 WeakPolarHBondContact O-CG 3.45Å; K142-R146 PolarHBondContact O-N 2.89Å; N143-R146 PolarHBondContact OD1-NH1 3.08Å; M144-R146 PolarHBondContact O-N 3.12Å; R146-Q148 VanDerWaalsContact C-N 3.3Å; R146-Q148 PolarHBondContact O-N 3.17Å; R146-L149 PolarHBondContact O-N 2.89Å; R146-E150 WeakPolarHBondContact O-CG 3.5Å; R146-E150 PolarHBondContact O-N 3.38Å
147	K	87.1	Confident	85.8	Confident	150 Å²	150	64 Å²	64	65%	0.652	33%	0.326	S	S	*	.	H	α-helix	trans	-61.3	-37.2	178.3	-73	178.9	-179.1	179.3	0	112.9	N143 M144 Y145 K151	N143-K147 WeakPolarHBondContact O-CG 3.42Å; N143-K147 PolarHBondContact O-N 3.44Å; N143-K147 VanDerWaalsContact O-N 3.15Å; M144-K147 PolarHBondContact O-N 2.72Å; Y145-K147 PolarHBondContact O-N 2.78Å; K147-K151 PolarHBondContact O-N 3.33Å; K147-K151 VanDerWaalsContact O-N 3.16Å
148	Q	87.1	Confident	86.1	Confident	29 Å²	29	60.3 Å²	60.3	14%	0.136	31%	0.306	C	S	.	.	H	α-helix	trans	-68.5	-42.2	176.4	-64	-160.3	-97.2	0	0	111.2	Y129 M144 Y145 R146 K151 L152 D184 M185 K408	Y129-Q148 HydrophobicContact CE1-CB 4.45Å; Y129-Q148 PolarHBondContact OH-OE1 3.03Å; M144-Q148 WeakPolarHBondContact O-CG 3.37Å; M144-Q148 PolarHBondContact O-N 2.73Å; M144-Q148 VanDerWaalsContact O-N 3.08Å; Y145-Q148 PolarHBondContact O-N 3.17Å; R146-Q148 VanDerWaalsContact C-N 3.3Å; R146-Q148 PolarHBondContact O-N 3.17Å; Q148-K151 PolarHBondContact O-N 2.93Å; Q148-L152 PolarHBondContact O-N 3.03Å; Q148-D184 PolarHBondContact NE2-OD2 3.41Å; Q148-M185 HydrophobicContact CB-CE 3.64Å; Q148-M185 VanDerWaalsContact O-CE 3.3Å; Q148-M185 WeakPolarHBondContact O-CE 3.24Å; Q148-K408 VanDerWaalsContact CD-NZ 3.28Å
149	L	91	Very high	86.4	Confident	11 Å²	11	57.3 Å²	57.3	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-45.3	175.6	-74.3	166	0	0	0	111.8	R126 Y129 V130 M133 Y145 R146 K151 L152 D153 M185	R126-L149 HydrophobicContact CG-CD2 3.8Å; Y129-L149 HydrophobicContact CD1-CD1 4.37Å; Y129-L149 HydrophobicContact CD1-CD2 3.94Å; Y129-L149 HydrophobicContact CD1-CG 4Å; Y129-L149 HydrophobicContact CE1-CG 4.48Å; V130-L149 HydrophobicContact CG2-CD1 3.79Å; V130-L149 HydrophobicContact CG2-CD2 3.88Å; M133-L149 HydrophobicContact CE-CD1 4.28Å; M133-L149 HydrophobicContact SD-CD1 3.82Å; Y145-L149 WeakPolarHBondContact O-CG 3.36Å; Y145-L149 PolarHBondContact O-N 3.45Å; R146-L149 PolarHBondContact O-N 2.89Å; L149-K151 VanDerWaalsContact C-N 3.3Å; L149-K151 PolarHBondContact O-N 3.29Å; L149-L152 PolarHBondContact O-N 3.18Å; L149-L152 VanDerWaalsContact O-N 3.16Å; L149-D153 WeakPolarHBondContact O-CB 3.07Å; L149-D153 PolarHBondContact O-N 3.29Å; L149-M185 HydrophobicContact CD2-CE 4.01Å; L149-M185 HydrophobicContact CD2-SD 3.91Å; L149-M185 HydrophobicContact CG-CE 4.18Å
150	E	90.5	Very high	86.5	Confident	120 Å²	120	56.5 Å²	56.5	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-57.9	-41.8	175.5	-74.3	170.3	-176.8	0	0	112.2	R146 D153 T154	R146-E150 WeakPolarHBondContact O-CG 3.5Å; R146-E150 PolarHBondContact O-N 3.38Å; E150-D153 PolarHBondContact O-N 3Å; E150-T154 WeakPolarHBondContact O-CB 3.21Å; E150-T154 PolarHBondContact O-N 3.41Å; E150-T154 PolarHBondContact O-OG1 3.38Å
151	K	89.7	Confident	87	Confident	121 Å²	121	57.3 Å²	57.3	53%	0.526	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-44.2	176.7	-170.9	-174.1	178.2	-171.6	0	111.3	K147 Q148 L149 S155 A181	K147-K151 PolarHBondContact O-N 3.33Å; K147-K151 VanDerWaalsContact O-N 3.16Å; Q148-K151 PolarHBondContact O-N 2.93Å; L149-K151 VanDerWaalsContact C-N 3.3Å; L149-K151 PolarHBondContact O-N 3.29Å; K151-S155 PolarHBondContact O-N 3.15Å; K151-S155 PolarHBondContact O-OG 3.07Å; K151-A181 HydrophobicContact CD-CB 4.43Å; K151-A181 HydrophobicContact CG-CB 4.14Å
152	L	90.2	Very high	87.1	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-46.6	176.2	176.3	61.6	0	0	0	111	V122 R126 Q148 L149 T154 S155 L156 V178 M185	V122-L152 HydrophobicContact CG1-CD1 3.91Å; V122-L152 HydrophobicContact CG1-CD2 4.21Å; R126-L152 HydrophobicContact CB-CD2 4.07Å; R126-L152 HydrophobicContact CG-CD2 4.2Å; Q148-L152 PolarHBondContact O-N 3.03Å; L149-L152 PolarHBondContact O-N 3.18Å; L149-L152 VanDerWaalsContact O-N 3.16Å; L152-T154 VanDerWaalsContact C-N 3.3Å; L152-T154 PolarHBondContact O-N 3.29Å; L152-S155 CarbonylContact O-C 3.3Å; L152-S155 PolarHBondContact O-N 3.46Å; L152-S155 VanDerWaalsContact O-N 3.14Å; L152-L156 HydrophobicContact CD1-CD1 3.93Å; L152-L156 HydrophobicContact CD1-CG 3.82Å; L152-L156 HydrophobicContact CD2-CD1 4.1Å; L152-L156 HydrophobicContact CG-CD1 3.66Å; L152-L156 HydrophobicContact CG-CG 4.04Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 WeakPolarHBondContact O-CG 3.26Å; L152-L156 PolarHBondContact O-N 2.88Å; L152-V178 HydrophobicContact CD1-CG1 4.2Å; L152-M185 HydrophobicContact CB-CE 4.09Å; L152-M185 HydrophobicContact CB-SD 4.37Å; L152-M185 HydrophobicContact CD2-CE 4.23Å; L152-M185 HydrophobicContact CD2-SD 3.4Å; L152-M185 WeakPolarHBondContact CD2-SD 3.27Å; L152-M185 HydrophobicContact CG-SD 4.49Å
153	D	90.7	Very high	86.8	Confident	53 Å²	53	56 Å²	56	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-39.1	-177.4	-72.8	-10.3	0	0	0	111.7	R126 L149 E150 L156 A157	R126-D153 WeakPolarHBondContact CD-OD1 3.38Å; R126-D153 IonicContact CZ-OD1 3.64Å; R126-D153 IonicContact CZ-OD2 3.83Å; R126-D153 IonicContact NE-OD1 2.75Å; R126-D153 PolarHBondContact NE-OD1 2.9Å; R126-D153 IonicContact NE-OD2 3.33Å; R126-D153 IonicContact NH2-OD1 2.75Å; R126-D153 PolarHBondContact NH2-OD1 3.07Å; R126-D153 IonicContact NH2-OD2 2.73Å; R126-D153 PolarHBondContact NH2-OD2 3.04Å; L149-D153 WeakPolarHBondContact O-CB 3.07Å; L149-D153 PolarHBondContact O-N 3.29Å; E150-D153 PolarHBondContact O-N 3Å; D153-L156 PolarHBondContact O-N 3.35Å; D153-A157 VanDerWaalsContact O-CB 3.32Å; D153-A157 WeakPolarHBondContact O-CB 3.45Å; D153-A157 PolarHBondContact O-N 3.24Å
154	T	90.1	Very high	86.5	Confident	103 Å²	103	56.1 Å²	56.1	63%	0.632	30%	0.298	S	S	*	.	H	α-helix	trans	-63	-47	174.1	-54.6	0	0	0	0	111.3	E150 L152 A158	E150-T154 WeakPolarHBondContact O-CB 3.21Å; E150-T154 PolarHBondContact O-N 3.41Å; E150-T154 PolarHBondContact O-OG1 3.38Å; L152-T154 VanDerWaalsContact C-N 3.3Å; L152-T154 PolarHBondContact O-N 3.29Å; T154-A158 PolarHBondContact O-N 3.23Å; T154-A158 VanDerWaalsContact O-N 3.1Å
155	S	88.1	Confident	86.2	Confident	23 Å²	23	62.1 Å²	62.1	16%	0.161	33%	0.325	C	S	.	.	H	α-helix	trans	-67.4	-37.1	177.7	-66.4	0	0	0	0	112.6	K151 L152 A158 F159 V178 A181	K151-S155 PolarHBondContact O-N 3.15Å; K151-S155 PolarHBondContact O-OG 3.07Å; L152-S155 CarbonylContact O-C 3.3Å; L152-S155 PolarHBondContact O-N 3.46Å; L152-S155 VanDerWaalsContact O-N 3.14Å; S155-A158 PolarHBondContact O-N 2.86Å; S155-F159 VanDerWaalsContact O-CB 3.31Å; S155-F159 WeakPolarHBondContact O-CB 3.43Å; S155-F159 PolarHBondContact O-N 2.63Å; S155-V178 WeakPolarHBondContact O-CG2 3.35Å; S155-A181 WeakPolarHBondContact OG-CB 3.49Å
156	L	88	Confident	85.4	Confident	11 Å²	11	68.5 Å²	68.5	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-66.2	-46.2	176.9	-81.9	176.1	0	0	0	111.3	L119 V122 L152 D153 A158 F159 E160 V178	L119-L156 HydrophobicContact CD1-CD2 4.14Å; V122-L156 HydrophobicContact CB-CD2 4.45Å; V122-L156 HydrophobicContact CG1-CD1 4.06Å; V122-L156 HydrophobicContact CG1-CD2 3.77Å; V122-L156 HydrophobicContact CG1-CG 4.28Å; L152-L156 HydrophobicContact CD1-CD1 3.93Å; L152-L156 HydrophobicContact CD1-CG 3.82Å; L152-L156 HydrophobicContact CD2-CD1 4.1Å; L152-L156 HydrophobicContact CG-CD1 3.66Å; L152-L156 HydrophobicContact CG-CG 4.04Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 WeakPolarHBondContact O-CG 3.26Å; L152-L156 PolarHBondContact O-N 2.88Å; D153-L156 PolarHBondContact O-N 3.35Å; L156-A158 VanDerWaalsContact C-N 3.31Å; L156-A158 PolarHBondContact O-N 3.47Å; L156-F159 WeakPolarHBondContact O-CB 3.2Å; L156-F159 PolarHBondContact O-N 3.19Å; L156-F159 VanDerWaalsContact O-N 3.14Å; L156-E160 WeakPolarHBondContact O-CG 3.17Å; L156-E160 PolarHBondContact O-N 3.12Å; L156-V178 HydrophobicContact CD2-CG1 3.79Å; L156-V178 HydrophobicContact CD2-CG2 4.35Å; L156-V178 HydrophobicContact CG-CG1 4.42Å
157	A	87.6	Confident	84.7	Confident	47 Å²	47	67.9 Å²	67.9	39%	0.388	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-40.7	176.6	0	0	0	0	0	111.6	D153 N161	D153-A157 VanDerWaalsContact O-CB 3.32Å; D153-A157 WeakPolarHBondContact O-CB 3.45Å; D153-A157 PolarHBondContact O-N 3.24Å; A157-N161 VanDerWaalsContact O-CG 3.27Å; A157-N161 PolarHBondContact O-N 2.87Å; A157-N161 PolarHBondContact O-ND2 2.8Å
158	A	86	Confident	84.1	Confident	43 Å²	43	68.7 Å²	68.7	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-43.4	173.6	0	0	0	0	0	111.8	T154 S155 L156 N161 V162	T154-A158 PolarHBondContact O-N 3.23Å; T154-A158 VanDerWaalsContact O-N 3.1Å; S155-A158 PolarHBondContact O-N 2.86Å; L156-A158 VanDerWaalsContact C-N 3.31Å; L156-A158 PolarHBondContact O-N 3.47Å; A158-N161 PolarHBondContact O-N 3.48Å; A158-V162 WeakPolarHBondContact O-CG2 3.19Å; A158-V162 PolarHBondContact O-N 3.44Å; A158-V162 VanDerWaalsContact O-N 3.17Å
159	F	85.7	Confident	83.5	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-66.3	-43.5	179.3	-177.6	-106.7	0	0	0	113.3	T115 F118 L119 S155 L156 N161 V162 F163 I171 K175 V178	T115-F159 HydrophobicContact CG2-CE1 4.1Å; T115-F159 HydrophobicContact CG2-CZ 3.6Å; F118-F159 HydrophobicContact CD1-CE1 4.43Å; F118-F159 HydrophobicContact CD1-CZ 4.47Å; L119-F159 HydrophobicContact CD1-CD1 3.96Å; L119-F159 HydrophobicContact CD1-CE1 4.18Å; S155-F159 VanDerWaalsContact O-CB 3.31Å; S155-F159 WeakPolarHBondContact O-CB 3.43Å; S155-F159 PolarHBondContact O-N 2.63Å; L156-F159 WeakPolarHBondContact O-CB 3.2Å; L156-F159 PolarHBondContact O-N 3.19Å; L156-F159 VanDerWaalsContact O-N 3.14Å; F159-N161 VanDerWaalsContact C-N 3.31Å; F159-N161 PolarHBondContact O-N 3.47Å; F159-V162 PolarHBondContact O-N 3.09Å; F159-F163 WeakPolarHBondContact O-CB 3.3Å; F159-F163 PolarHBondContact O-N 3.28Å; F159-I171 HydrophobicContact CE2-CG2 4.1Å; F159-I171 HydrophobicContact CZ-CG2 4.37Å; F159-K175 HydrophobicContact CE2-CB 3.72Å; F159-K175 HydrophobicContact CZ-CB 4.22Å; F159-V178 HydrophobicContact CB-CG2 3.54Å; F159-V178 HydrophobicContact CD1-CG2 4.42Å; F159-V178 HydrophobicContact CD2-CG2 4.28Å; F159-V178 HydrophobicContact CG-CG2 3.85Å
160	E	84.9	Confident	83	Confident	75 Å²	75	73 Å²	73	35%	0.35	40%	0.401	S	S	.	.	H	α-helix	trans	-62.8	-38.2	177.6	-72.8	-177.5	151.4	0	0	111.8	L119 K123 L156 F163 A164	L119-E160 HydrophobicContact CD1-CG 3.93Å; L119-E160 HydrophobicContact CD2-CG 4.36Å; K123-E160 WeakPolarHBondContact CE-OE1 3.39Å; K123-E160 IonicContact NZ-OE1 3.01Å; K123-E160 PolarHBondContact NZ-OE1 3.34Å; L156-E160 WeakPolarHBondContact O-CG 3.17Å; L156-E160 PolarHBondContact O-N 3.12Å; E160-F163 PolarHBondContact O-N 2.95Å; E160-A164 PolarHBondContact O-N 3.34Å
161	N	83.8	Confident	82.4	Confident	107 Å²	107	68.2 Å²	68.2	57%	0.572	38%	0.379	S	S	*	.	H	α-helix	trans	-64.2	-40.4	174.7	-74	-32.6	0	0	0	112.5	A157 A158 F159 Q165	A157-N161 VanDerWaalsContact O-CG 3.27Å; A157-N161 PolarHBondContact O-N 2.87Å; A157-N161 PolarHBondContact O-ND2 2.8Å; A158-N161 PolarHBondContact O-N 3.48Å; F159-N161 VanDerWaalsContact C-N 3.31Å; F159-N161 PolarHBondContact O-N 3.47Å; N161-Q165 WeakPolarHBondContact O-CG 3.31Å
162	V	81.9	Confident	82	Confident	22 Å²	22	66.3 Å²	66.3	13%	0.133	38%	0.381	C	S	.	.	H	α-helix	trans	-71.2	-39.4	176.8	170.3	0	0	0	0	111.2	A158 F159 A164 Q165 T170 I171	A158-V162 WeakPolarHBondContact O-CG2 3.19Å; A158-V162 PolarHBondContact O-N 3.44Å; A158-V162 VanDerWaalsContact O-N 3.17Å; F159-V162 PolarHBondContact O-N 3.09Å; V162-A164 PolarHBondContact O-N 2.97Å; V162-Q165 WeakPolarHBondContact O-CB 3.21Å; V162-Q165 PolarHBondContact O-N 3.33Å; V162-T170 HydrophobicContact CB-CG2 4.43Å; V162-T170 HydrophobicContact CG1-CG2 3.56Å; V162-T170 HydrophobicContact CG2-CG2 3.92Å; V162-I171 HydrophobicContact CG1-CG1 3.88Å
163	F	78.7	Confident	81.7	Confident	61 Å²	61	70.9 Å²	70.9	27%	0.268	41%	0.405	S	S	.	.	H	α-helix	trans	-59.5	-36	178.2	-176.3	-112.2	0	0	0	111.8	T115 F159 E160 Q165 I171	T115-F163 HydrophobicContact CG2-CD2 3.47Å; T115-F163 VanDerWaalsContact CG2-CD2 3.47Å; T115-F163 HydrophobicContact CG2-CE2 3.4Å; T115-F163 HydrophobicContact CG2-CZ 4.38Å; F159-F163 WeakPolarHBondContact O-CB 3.3Å; F159-F163 PolarHBondContact O-N 3.28Å; E160-F163 PolarHBondContact O-N 2.95Å; F163-Q165 PolarHBondContact O-N 3.13Å; F163-I171 HydrophobicContact CD2-CD1 4.35Å
164	A	78.3	Confident	81.3	Confident	71 Å²	71	68.9 Å²	68.9	59%	0.587	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-18.1	174	0	0	0	0	0	114.2	E160 V162	E160-A164 PolarHBondContact O-N 3.34Å; V162-A164 PolarHBondContact O-N 2.97Å
165	Q	75.2	Confident	80.9	Confident	147 Å²	147	66 Å²	66	69%	0.687	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.2	-177.8	-66.1	176.5	12.8	0	0	113.8	N161 V162 F163 D167	N161-Q165 WeakPolarHBondContact O-CG 3.31Å; V162-Q165 WeakPolarHBondContact O-CB 3.21Å; V162-Q165 PolarHBondContact O-N 3.33Å; F163-Q165 PolarHBondContact O-N 3.13Å; Q165-D167 VanDerWaalsContact C-N 3.29Å; Q165-D167 PolarHBondContact O-N 3.4Å
166	H	70.4	Confident	80.8	Confident	155 Å²	155	70.9 Å²	70.9	72%	0.718	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	26.2	175	-63.5	-69.1	0	0	0	116.8
167	D	74.5	Confident	80.7	Confident	75 Å²	75	74.7 Å²	74.7	40%	0.401	41%	0.412	S	S	.	.			trans	-94.9	107	173.4	176.3	22.3	0	0	0	112	Q165 A169 T170 I171	Q165-D167 VanDerWaalsContact C-N 3.29Å; Q165-D167 PolarHBondContact O-N 3.4Å; D167-A169 VanDerWaalsContact C-N 3.34Å; D167-A169 PolarHBondContact O-N 3.39Å; D167-A169 PolarHBondContact OD1-N 3.1Å; D167-T170 PolarHBondContact O-N 3.07Å; D167-T170 VanDerWaalsContact OD2-CB 3.29Å; D167-T170 WeakPolarHBondContact OD2-CB 3.32Å; D167-T170 PolarHBondContact OD2-OG1 3.49Å; D167-I171 WeakPolarHBondContact O-CD1 3.4Å; D167-I171 WeakPolarHBondContact O-CG1 3.17Å; D167-I171 PolarHBondContact O-N 3.42Å
168	E	73.3	Confident	80.7	Confident	167 Å²	167	72.5 Å²	72.5	78%	0.78	39%	0.393	S	S	*	.	H	α-helix	trans	-58.7	-38.1	-174.9	-73.8	-172	162.8	0	0	114.1	I171 S172	E168-I171 PolarHBondContact O-N 3.33Å; E168-S172 PolarHBondContact O-N 2.9Å
169	A	75.8	Confident	80.7	Confident	73 Å²	73	71.5 Å²	71.5	60%	0.603	38%	0.383	S	S	*	.	H	α-helix	trans	-67.2	-44.9	-177.9	0	0	0	0	0	111.2	D167 I171 S172 L173	D167-A169 VanDerWaalsContact C-N 3.34Å; D167-A169 PolarHBondContact O-N 3.39Å; D167-A169 PolarHBondContact OD1-N 3.1Å; A169-I171 VanDerWaalsContact C-N 3.34Å; A169-S172 PolarHBondContact O-N 2.91Å; A169-L173 PolarHBondContact O-N 2.82Å
170	T	80.3	Confident	80.7	Confident	57 Å²	57	76 Å²	76	35%	0.35	41%	0.411	S	S	.	.	H	α-helix	trans	-71.1	-32.2	178.2	-53.5	0	0	0	0	111.3	V162 D167 S174	V162-T170 HydrophobicContact CB-CG2 4.43Å; V162-T170 HydrophobicContact CG1-CG2 3.56Å; V162-T170 HydrophobicContact CG2-CG2 3.92Å; D167-T170 PolarHBondContact O-N 3.07Å; D167-T170 VanDerWaalsContact OD2-CB 3.29Å; D167-T170 WeakPolarHBondContact OD2-CB 3.32Å; D167-T170 PolarHBondContact OD2-OG1 3.49Å; T170-S174 VanDerWaalsContact O-CB 3.23Å; T170-S174 WeakPolarHBondContact O-CB 3.29Å; T170-S174 PolarHBondContact O-N 2.8Å; T170-S174 PolarHBondContact O-OG 3.3Å
171	I	77.7	Confident	80.8	Confident	21 Å²	21	73 Å²	73	11%	0.108	40%	0.399	C	S	.	.	H	α-helix	trans	-61.2	-46.4	172.6	-70.6	165.3	0	0	0	110.6	T115 F159 V162 F163 D167 E168 A169 S174 K175	T115-I171 HydrophobicContact CG2-CG2 4.08Å; F159-I171 HydrophobicContact CE2-CG2 4.1Å; F159-I171 HydrophobicContact CZ-CG2 4.37Å; V162-I171 HydrophobicContact CG1-CG1 3.88Å; F163-I171 HydrophobicContact CD2-CD1 4.35Å; D167-I171 WeakPolarHBondContact O-CD1 3.4Å; D167-I171 WeakPolarHBondContact O-CG1 3.17Å; D167-I171 PolarHBondContact O-N 3.42Å; E168-I171 PolarHBondContact O-N 3.33Å; A169-I171 VanDerWaalsContact C-N 3.34Å; I171-S174 PolarHBondContact O-N 3.43Å; I171-K175 VanDerWaalsContact O-CB 3.3Å; I171-K175 WeakPolarHBondContact O-CB 3.38Å; I171-K175 PolarHBondContact O-N 3.37Å
172	S	80.2	Confident	80.9	Confident	80 Å²	80	68.1 Å²	68.1	56%	0.559	37%	0.373	S	S	*	.	H	α-helix	trans	-61.8	-47.1	-179.4	-173.7	0	0	0	0	112.3	E168 A169 S174 K175 Q176	E168-S172 PolarHBondContact O-N 2.9Å; A169-S172 PolarHBondContact O-N 2.91Å; S172-S174 PolarHBondContact O-N 3.41Å; S172-K175 WeakPolarHBondContact O-CB 3.49Å; S172-K175 PolarHBondContact O-N 2.89Å; S172-Q176 PolarHBondContact O-N 3.39Å
173	L	83.6	Confident	81.2	Confident	98 Å²	98	68.3 Å²	68.3	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176.8	-177.7	66.4	0	0	0	111.7	A169 Q176 Q177	A169-L173 PolarHBondContact O-N 2.82Å; L173-Q176 WeakPolarHBondContact O-CB 3.31Å; L173-Q176 PolarHBondContact O-N 2.83Å; L173-Q177 WeakPolarHBondContact O-CG 3.41Å; L173-Q177 PolarHBondContact O-N 3.15Å; L173-Q177 VanDerWaalsContact O-N 3.09Å
174	S	82.2	Confident	81.5	Confident	10 Å²	10	67.6 Å²	67.6	7%	0.07	38%	0.376	C	S	.	.	H	α-helix	trans	-69.1	-34.8	-180	-55.7	0	0	0	0	111.3	T170 I171 S172 Q176 Q177 V178	T170-S174 VanDerWaalsContact O-CB 3.23Å; T170-S174 WeakPolarHBondContact O-CB 3.29Å; T170-S174 PolarHBondContact O-N 2.8Å; T170-S174 PolarHBondContact O-OG 3.3Å; I171-S174 PolarHBondContact O-N 3.43Å; S172-S174 PolarHBondContact O-N 3.41Å; S174-Q176 VanDerWaalsContact C-N 3.33Å; S174-Q176 PolarHBondContact O-N 2.93Å; S174-Q177 WeakPolarHBondContact O-CB 3.39Å; S174-Q177 PolarHBondContact O-N 2.85Å; S174-V178 WeakPolarHBondContact O-CG2 3.37Å; S174-V178 PolarHBondContact O-N 3.4Å
175	K	83.4	Confident	82	Confident	44 Å²	44	64.4 Å²	64.4	19%	0.191	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-44.9	171.9	-173.6	174.8	179.7	177.1	0	110.1	P113 F118 F159 I171 S172 Q177 V178 V179	P113-K175 PolarHBondContact O-NZ 3.47Å; F118-K175 HydrophobicContact CD1-CD 4.41Å; F118-K175 HydrophobicContact CD1-CG 4.01Å; F118-K175 HydrophobicContact CE1-CG 3.8Å; F118-K175 HydrophobicContact CZ-CG 4.15Å; F159-K175 HydrophobicContact CE2-CB 3.72Å; F159-K175 HydrophobicContact CZ-CB 4.22Å; I171-K175 VanDerWaalsContact O-CB 3.3Å; I171-K175 WeakPolarHBondContact O-CB 3.38Å; I171-K175 PolarHBondContact O-N 3.37Å; S172-K175 WeakPolarHBondContact O-CB 3.49Å; S172-K175 PolarHBondContact O-N 2.89Å; K175-Q177 VanDerWaalsContact C-N 3.32Å; K175-Q177 PolarHBondContact O-N 3.47Å; K175-V178 PolarHBondContact O-N 3.38Å; K175-V179 WeakPolarHBondContact O-CG2 3.44Å; K175-V179 PolarHBondContact O-N 2.84Å
176	Q	85.3	Confident	82.7	Confident	125 Å²	125	57.6 Å²	57.6	58%	0.584	32%	0.317	S	S	*	.	H	α-helix	trans	-63	-35.9	176.7	-167.5	178.4	10.5	0	0	112.8	S172 L173 S174 V179 T180	S172-Q176 PolarHBondContact O-N 3.39Å; L173-Q176 WeakPolarHBondContact O-CB 3.31Å; L173-Q176 PolarHBondContact O-N 2.83Å; S174-Q176 VanDerWaalsContact C-N 3.33Å; S174-Q176 PolarHBondContact O-N 2.93Å; Q176-V179 PolarHBondContact O-N 2.94Å; Q176-T180 WeakPolarHBondContact O-CB 3.29Å; Q176-T180 PolarHBondContact O-N 3.31Å; Q176-T180 PolarHBondContact O-OG1 3.13Å
177	Q	86.1	Confident	83.7	Confident	91 Å²	91	50.3 Å²	50.3	43%	0.425	28%	0.284	S	S	.	.	H	α-helix	trans	-66.5	-41.1	174.1	-69.1	176.6	-9.1	0	0	112.3	L173 S174 K175 T180 A181	L173-Q177 WeakPolarHBondContact O-CG 3.41Å; L173-Q177 PolarHBondContact O-N 3.15Å; L173-Q177 VanDerWaalsContact O-N 3.09Å; S174-Q177 WeakPolarHBondContact O-CB 3.39Å; S174-Q177 PolarHBondContact O-N 2.85Å; K175-Q177 VanDerWaalsContact C-N 3.32Å; K175-Q177 PolarHBondContact O-N 3.47Å; Q177-T180 PolarHBondContact O-N 3.49Å; Q177-A181 WeakPolarHBondContact O-CB 3.48Å; Q177-A181 PolarHBondContact O-N 3.01Å
178	V	86.5	Confident	84.4	Confident	1 Å²	1	49 Å²	49	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-45.1	173.8	175.5	0	0	0	0	110.7	F118 V122 L152 S155 L156 F159 S174 K175 T180 A181 G182	F118-V178 HydrophobicContact CE1-CB 4.11Å; F118-V178 HydrophobicContact CE1-CG1 3.77Å; F118-V178 HydrophobicContact CZ-CB 4.33Å; F118-V178 HydrophobicContact CZ-CG1 3.93Å; V122-V178 HydrophobicContact CG1-CG1 4.09Å; V122-V178 HydrophobicContact CG2-CG1 4.27Å; L152-V178 HydrophobicContact CD1-CG1 4.2Å; S155-V178 WeakPolarHBondContact O-CG2 3.35Å; L156-V178 HydrophobicContact CD2-CG1 3.79Å; L156-V178 HydrophobicContact CD2-CG2 4.35Å; L156-V178 HydrophobicContact CG-CG1 4.42Å; F159-V178 HydrophobicContact CB-CG2 3.54Å; F159-V178 HydrophobicContact CD1-CG2 4.42Å; F159-V178 HydrophobicContact CD2-CG2 4.28Å; F159-V178 HydrophobicContact CG-CG2 3.85Å; S174-V178 WeakPolarHBondContact O-CG2 3.37Å; S174-V178 PolarHBondContact O-N 3.4Å; K175-V178 PolarHBondContact O-N 3.38Å; V178-T180 VanDerWaalsContact C-N 3.31Å; V178-T180 PolarHBondContact O-N 3.36Å; V178-A181 PolarHBondContact O-N 2.98Å; V178-G182 WeakPolarHBondContact O-CA 3.48Å; V178-G182 PolarHBondContact O-N 3.13Å
179	V	86.3	Confident	85.3	Confident	21 Å²	21	43.6 Å²	43.6	13%	0.127	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-46.2	174.4	172.7	0	0	0	0	110.4	L109 F118 K175 Q176 A181 G182 A183	L109-V179 HydrophobicContact CD1-CG1 3.86Å; L109-V179 HydrophobicContact CD2-CG1 4.22Å; L109-V179 HydrophobicContact CD2-CG2 3.72Å; F118-V179 HydrophobicContact CE2-CG2 3.73Å; F118-V179 HydrophobicContact CZ-CG2 3.52Å; K175-V179 WeakPolarHBondContact O-CG2 3.44Å; K175-V179 PolarHBondContact O-N 2.84Å; Q176-V179 PolarHBondContact O-N 2.94Å; V179-A181 PolarHBondContact O-N 3.47Å; V179-G182 PolarHBondContact O-N 3.04Å; V179-A183 VanDerWaalsContact O-CA 3.29Å; V179-A183 WeakPolarHBondContact O-CA 3.46Å; V179-A183 WeakPolarHBondContact O-CB 3.49Å; V179-A183 PolarHBondContact O-N 3.45Å
180	T	87.4	Confident	86	Confident	96 Å²	96	40.2 Å²	40.2	59%	0.589	22%	0.22	S	C	*	.	H	α-helix	trans	-67	-35.6	-179	-55.8	0	0	0	0	112.7	Q176 Q177 V178	Q176-T180 WeakPolarHBondContact O-CB 3.29Å; Q176-T180 PolarHBondContact O-N 3.31Å; Q176-T180 PolarHBondContact O-OG1 3.13Å; Q177-T180 PolarHBondContact O-N 3.49Å; V178-T180 VanDerWaalsContact C-N 3.31Å; V178-T180 PolarHBondContact O-N 3.36Å
181	A	86.4	Confident	86.5	Confident	12 Å²	12	38.1 Å²	38.1	10%	0.099	21%	0.206	C	C	.	.	H	α-helix	trans	-77.4	-35.1	177.5	0	0	0	0	0	112.9	K151 S155 Q177 V178 V179	K151-A181 HydrophobicContact CD-CB 4.43Å; K151-A181 HydrophobicContact CG-CB 4.14Å; S155-A181 WeakPolarHBondContact OG-CB 3.49Å; Q177-A181 WeakPolarHBondContact O-CB 3.48Å; Q177-A181 PolarHBondContact O-N 3.01Å; V178-A181 PolarHBondContact O-N 2.98Å; V179-A181 PolarHBondContact O-N 3.47Å
182	G	85.9	Confident	86.9	Confident	4 Å²	4	39.9 Å²	39.9	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-103.7	-0.7	-173.2	0	0	0	0	0	115.8	V178 V179 D184 M185 L186	V178-G182 WeakPolarHBondContact O-CA 3.48Å; V178-G182 PolarHBondContact O-N 3.13Å; V179-G182 PolarHBondContact O-N 3.04Å; G182-D184 VanDerWaalsContact C-N 3.28Å; G182-D184 PolarHBondContact O-N 3.37Å; G182-D184 VanDerWaalsContact O-N 3.17Å; G182-M185 PolarHBondContact O-N 2.86Å; G182-L186 PolarHBondContact O-N 3.25Å
183	A	86.9	Confident	87.3	Confident	26 Å²	26	39.1 Å²	39.1	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-51	-43.7	-173.2	0	0	0	0	0	113.3	L105 V179 M185 S187	L105-A183 HydrophobicContact CD2-CB 3.97Å; V179-A183 VanDerWaalsContact O-CA 3.29Å; V179-A183 WeakPolarHBondContact O-CA 3.46Å; V179-A183 WeakPolarHBondContact O-CB 3.49Å; V179-A183 PolarHBondContact O-N 3.45Å; A183-M185 PolarHBondContact O-N 3.28Å; A183-S187 WeakPolarHBondContact O-CB 3.28Å; A183-S187 PolarHBondContact O-N 3.45Å; A183-S187 PolarHBondContact O-OG 3.04Å
184	D	85	Confident	87.5	Confident	46 Å²	46	38.2 Å²	38.2	25%	0.246	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-41.6	179	-75.2	-17.8	0	0	0	111.9	R98 Q148 G182 S187 E188 K408	R98-D184 IonicContact NH1-OD1 3.75Å; Q148-D184 PolarHBondContact NE2-OD2 3.41Å; G182-D184 VanDerWaalsContact C-N 3.28Å; G182-D184 PolarHBondContact O-N 3.37Å; G182-D184 VanDerWaalsContact O-N 3.17Å; D184-S187 PolarHBondContact O-OG 3.44Å; D184-E188 VanDerWaalsContact O-CB 3.28Å; D184-E188 WeakPolarHBondContact O-CB 3.21Å; D184-E188 PolarHBondContact O-N 3.42Å; D184-E188 VanDerWaalsContact O-N 3.09Å; D184-K408 IonicContact OD2-NZ 2.78Å; D184-K408 PolarHBondContact OD2-NZ 2.66Å
185	M	90	Very high	87.6	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.02	24%	0.237	C	C	.	.	H	α-helix	trans	-74.4	-45.5	-177.9	-54.7	-179.1	-160.3	0	0	110.8	Y129 Q148 L149 L152 G182 A183 E188 W189	Y129-M185 HydrophobicContact CD1-CE 3.9Å; Y129-M185 HydrophobicContact CD1-CG 3.87Å; Y129-M185 HydrophobicContact CD1-SD 3.75Å; Y129-M185 HydrophobicContact CD2-CB 4.15Å; Y129-M185 HydrophobicContact CD2-CG 3.71Å; Y129-M185 HydrophobicContact CE1-CE 3.82Å; Y129-M185 HydrophobicContact CE1-CG 4.04Å; Y129-M185 HydrophobicContact CE1-SD 4.19Å; Y129-M185 HydrophobicContact CE2-CG 3.89Å; Y129-M185 HydrophobicContact CG-CB 4.29Å; Y129-M185 HydrophobicContact CG-CG 3.67Å; Y129-M185 HydrophobicContact CG-SD 3.93Å; Q148-M185 HydrophobicContact CB-CE 3.64Å; Q148-M185 VanDerWaalsContact O-CE 3.3Å; Q148-M185 WeakPolarHBondContact O-CE 3.24Å; L149-M185 HydrophobicContact CD2-CE 4.01Å; L149-M185 HydrophobicContact CD2-SD 3.91Å; L149-M185 HydrophobicContact CG-CE 4.18Å; L152-M185 HydrophobicContact CB-CE 4.09Å; L152-M185 HydrophobicContact CB-SD 4.37Å; L152-M185 HydrophobicContact CD2-CE 4.23Å; L152-M185 HydrophobicContact CD2-SD 3.4Å; L152-M185 WeakPolarHBondContact CD2-SD 3.27Å; L152-M185 HydrophobicContact CG-SD 4.49Å; G182-M185 PolarHBondContact O-N 2.86Å; A183-M185 PolarHBondContact O-N 3.28Å; M185-E188 PolarHBondContact O-N 3.01Å; M185-W189 WeakPolarHBondContact O-CB 3.38Å; M185-W189 PolarHBondContact O-N 2.91Å
186	L	90.5	Very high	87.7	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-41.7	179.2	-175.5	62.4	0	0	0	111.2	L105 Y108 F118 D121 V122 A125 G182 W189 L190	L105-L186 HydrophobicContact CD1-CD2 3.75Å; L105-L186 HydrophobicContact CD1-CG 4.08Å; Y108-L186 HydrophobicContact CD1-CD2 4.16Å; Y108-L186 HydrophobicContact CE1-CD1 4.49Å; Y108-L186 HydrophobicContact CE1-CD2 3.89Å; F118-L186 HydrophobicContact CE2-CD2 4.07Å; D121-L186 HydrophobicContact CB-CD1 4.43Å; V122-L186 HydrophobicContact CG2-CD1 4.36Å; V122-L186 HydrophobicContact CG2-CD2 4.32Å; A125-L186 HydrophobicContact CB-CD1 4.36Å; G182-L186 PolarHBondContact O-N 3.25Å; L186-W189 HydrophobicContact CD1-CE3 4.18Å; L186-W189 PolarHBondContact O-N 2.9Å; L186-L190 HydrophobicContact CG-CD1 4.14Å; L186-L190 WeakPolarHBondContact O-CB 3.29Å; L186-L190 VanDerWaalsContact O-CG 3.22Å; L186-L190 WeakPolarHBondContact O-CG 3.39Å; L186-L190 PolarHBondContact O-N 3.44Å
187	S	90.3	Very high	87.8	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-68.9	-36.6	176.8	62.9	0	0	0	0	112.8	A183 D184 D191	A183-S187 WeakPolarHBondContact O-CB 3.28Å; A183-S187 PolarHBondContact O-N 3.45Å; A183-S187 PolarHBondContact O-OG 3.04Å; D184-S187 PolarHBondContact O-OG 3.44Å; S187-D191 VanDerWaalsContact O-CB 3.28Å; S187-D191 WeakPolarHBondContact O-CB 3.4Å; S187-D191 PolarHBondContact O-N 2.85Å
188	E	88.9	Confident	87.8	Confident	47 Å²	47	36.7 Å²	36.7	22%	0.22	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-40.5	173.2	179.4	155.1	-144.8	0	0	111.9	K132 D184 M185 D191 S192	K132-E188 IonicContact NZ-OE1 3.54Å; K132-E188 PolarHBondContact NZ-OE1 3.41Å; K132-E188 IonicContact NZ-OE2 2.69Å; K132-E188 PolarHBondContact NZ-OE2 3.17Å; D184-E188 VanDerWaalsContact O-CB 3.28Å; D184-E188 WeakPolarHBondContact O-CB 3.21Å; D184-E188 PolarHBondContact O-N 3.42Å; D184-E188 VanDerWaalsContact O-N 3.09Å; M185-E188 PolarHBondContact O-N 3.01Å; E188-D191 PolarHBondContact O-N 2.94Å; E188-S192 PolarHBondContact O-N 2.85Å
189	W	92.3	Very high	87.6	Confident	53 Å²	53	40.4 Å²	40.4	20%	0.201	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-44.4	174.9	-177.7	75.1	0	0	0	112.8	D121 N124 A125 E128 M185 L186 D191 S192 G193	D121-W189 HydrophobicContact CB-CH2 4.18Å; D121-W189 HydrophobicContact CB-CZ3 3.9Å; N124-W189 HydrophobicContact CB-CZ2 4.14Å; A125-W189 HydrophobicContact CB-CB 3.49Å; A125-W189 VanDerWaalsContact CB-CB 3.49Å; A125-W189 HydrophobicContact CB-CD2 4.26Å; A125-W189 HydrophobicContact CB-CG 3.71Å; E128-W189 PolarHBondContact OE1-NE1 3.39Å; E128-W189 VanDerWaalsContact OE1-NE1 3.11Å; M185-W189 WeakPolarHBondContact O-CB 3.38Å; M185-W189 PolarHBondContact O-N 2.91Å; L186-W189 HydrophobicContact CD1-CE3 4.18Å; L186-W189 PolarHBondContact O-N 2.9Å; W189-D191 VanDerWaalsContact C-N 3.3Å; W189-D191 PolarHBondContact O-N 3.15Å; W189-S192 PolarHBondContact O-N 3.26Å; W189-S192 PolarHBondContact O-OG 3.36Å; W189-G193 PolarHBondContact O-N 3.12Å
190	L	91.3	Very high	87.7	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-40.5	174.6	-71.4	168.4	0	0	0	111.4	L104 L105 Y108 L186 G193 Q194	L104-L190 HydrophobicContact CB-CB 4.14Å; L105-L190 HydrophobicContact CD1-CD1 4.25Å; Y108-L190 HydrophobicContact CD1-CD1 4.19Å; Y108-L190 HydrophobicContact CD2-CD1 4.42Å; Y108-L190 HydrophobicContact CD2-CD2 3.91Å; Y108-L190 HydrophobicContact CE2-CD2 4.48Å; Y108-L190 HydrophobicContact CG-CD1 3.85Å; Y108-L190 HydrophobicContact CG-CD2 4.18Å; L186-L190 HydrophobicContact CG-CD1 4.14Å; L186-L190 WeakPolarHBondContact O-CB 3.29Å; L186-L190 VanDerWaalsContact O-CG 3.22Å; L186-L190 WeakPolarHBondContact O-CG 3.39Å; L186-L190 PolarHBondContact O-N 3.44Å; L190-G193 PolarHBondContact O-N 3.09Å; L190-Q194 WeakPolarHBondContact O-CB 3.46Å; L190-Q194 PolarHBondContact O-N 2.87Å
191	D	89.7	Confident	87.7	Confident	12 Å²	12	41.4 Å²	41.4	6%	0.064	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-39.9	177	-170.8	67.2	0	0	0	112.1	R100 Q101 L104 S187 E188 W189 G193 K195	R100-D191 VanDerWaalsContact CB-OD1 3.23Å; R100-D191 WeakPolarHBondContact CB-OD1 3.49Å; R100-D191 IonicContact CZ-OD1 3.49Å; R100-D191 VanDerWaalsContact CZ-OD1 3.3Å; R100-D191 IonicContact CZ-OD2 3.44Å; R100-D191 IonicContact NE-OD1 3.18Å; R100-D191 PolarHBondContact NE-OD1 3.34Å; R100-D191 IonicContact NE-OD2 3.16Å; R100-D191 VanDerWaalsContact NH2-CG 3.32Å; R100-D191 IonicContact NH2-OD1 3.21Å; R100-D191 PolarHBondContact NH2-OD1 3.43Å; R100-D191 VanDerWaalsContact NH2-OD1 3.1Å; R100-D191 IonicContact NH2-OD2 2.89Å; R100-D191 PolarHBondContact NH2-OD2 2.88Å; Q101-D191 HydrophobicContact CG-CB 3.87Å; L104-D191 HydrophobicContact CD1-CB 4.28Å; S187-D191 VanDerWaalsContact O-CB 3.28Å; S187-D191 WeakPolarHBondContact O-CB 3.4Å; S187-D191 PolarHBondContact O-N 2.85Å; E188-D191 PolarHBondContact O-N 2.94Å; W189-D191 VanDerWaalsContact C-N 3.3Å; W189-D191 PolarHBondContact O-N 3.15Å; D191-G193 VanDerWaalsContact C-N 3.3Å; D191-G193 PolarHBondContact O-N 2.82Å; D191-K195 WeakPolarHBondContact O-CA 3.17Å; D191-K195 WeakPolarHBondContact O-CB 3.45Å; D191-K195 WeakPolarHBondContact O-CG 3.4Å; D191-K195 PolarHBondContact O-N 2.87Å
192	S	87.3	Confident	88	Confident	58 Å²	58	43.9 Å²	43.9	41%	0.406	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-40.9	179	77.9	0	0	0	0	111.9	E188 W189	E188-S192 PolarHBondContact O-N 2.85Å; W189-S192 PolarHBondContact O-N 3.26Å; W189-S192 PolarHBondContact O-OG 3.36Å
193	G	87.4	Confident	88.2	Confident	65 Å²	65	45 Å²	45	67%	0.67	27%	0.274	S	S	*	.	H	α-helix	trans	-85.2	-30.8	180	0	0	0	0	0	115.6	W189 L190 D191	W189-G193 PolarHBondContact O-N 3.12Å; L190-G193 PolarHBondContact O-N 3.09Å; D191-G193 VanDerWaalsContact C-N 3.3Å; D191-G193 PolarHBondContact O-N 2.82Å
194	Q	87.7	Confident	88.5	Confident	78 Å²	78	44 Å²	44	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-122.8	5.5	-168.8	-56.5	-176	30.2	0	0	115.2	L104 L190 G196 T197	L104-Q194 HydrophobicContact CD1-CB 4.14Å; L104-Q194 HydrophobicContact CD2-CB 3.89Å; L190-Q194 WeakPolarHBondContact O-CB 3.46Å; L190-Q194 PolarHBondContact O-N 2.87Å; Q194-G196 PolarHBondContact O-N 3.09Å; Q194-T197 HydrophobicContact CB-CG2 4.5Å; Q194-T197 WeakPolarHBondContact O-CB 3.32Å; Q194-T197 PolarHBondContact O-N 2.97Å; Q194-T197 PolarHBondContact O-OG1 3.16Å
195	K	84.7	Confident	88.9	Confident	105 Å²	105	44.9 Å²	44.9	46%	0.457	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-46.8	-41.1	179.3	55.8	-170.4	-179.1	-170.1	0	114.4	D191 T197 V198 G325	D191-K195 WeakPolarHBondContact O-CA 3.17Å; D191-K195 WeakPolarHBondContact O-CB 3.45Å; D191-K195 WeakPolarHBondContact O-CG 3.4Å; D191-K195 PolarHBondContact O-N 2.87Å; K195-T197 PolarHBondContact O-N 2.94Å; K195-T197 VanDerWaalsContact O-N 3.14Å; K195-V198 PolarHBondContact O-N 3.23Å; K195-G325 WeakPolarHBondContact O-CA 3.37Å
196	G	85.3	Confident	89.1	Confident	45 Å²	45	47.7 Å²	47.7	46%	0.464	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-68.7	-9.1	-177.6	0	0	0	0	0	115.1	Q194	Q194-G196 PolarHBondContact O-N 3.09Å
197	T	87	Confident	89.3	Confident	86 Å²	86	47.8 Å²	47.8	53%	0.528	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-88	-11	179.6	68.1	0	0	0	0	113.8	Q194 K195	Q194-T197 HydrophobicContact CB-CG2 4.5Å; Q194-T197 WeakPolarHBondContact O-CB 3.32Å; Q194-T197 PolarHBondContact O-N 2.97Å; Q194-T197 PolarHBondContact O-OG1 3.16Å; K195-T197 PolarHBondContact O-N 2.94Å; K195-T197 VanDerWaalsContact O-N 3.14Å
198	V	87	Confident	89.5	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.012	29%	0.293	C	S	.	.			trans	-100.9	99.6	-175.9	-174.2	0	0	0	0	109.8	R100 L104 K195 I203 F204 G325	R100-V198 HydrophobicContact CG-CB 4.08Å; R100-V198 HydrophobicContact CG-CG1 4.04Å; R100-V198 HydrophobicContact CG-CG2 4.38Å; L104-V198 HydrophobicContact CD1-CG2 4.35Å; L104-V198 HydrophobicContact CD2-CG2 3.82Å; L104-V198 HydrophobicContact CG-CG2 4Å; K195-V198 PolarHBondContact O-N 3.23Å; V198-I203 HydrophobicContact CG1-CD1 3.66Å; V198-I203 HydrophobicContact CG1-CG2 4.41Å; V198-F204 HydrophobicContact CG1-CZ 4.2Å; V198-G325 CarbonylContact O-C 3.55Å; V198-G325 WeakPolarHBondContact O-CA 3.33Å
199	S	81.9	Confident	89.9	Confident	80 Å²	80	49.8 Å²	49.8	56%	0.559	30%	0.299	S	S	*	.			trans	-117.2	-7.3	-179.3	61.3	0	0	0	0	114.5	H201	S199-H201 PolarHBondContact O-N 2.84Å
200	D	87.8	Confident	90.1	Very high	82 Å²	82	52.2 Å²	52.2	44%	0.439	31%	0.311	S	S	.	.			trans	-76.9	119.8	-176.7	-177.7	4.5	0	0	0	111.1	S202 I203 F204	D200-S202 PolarHBondContact O-N 3.38Å; D200-S202 WeakPolarHBondContact OD1-CB 3.3Å; D200-S202 PolarHBondContact OD1-N 3.17Å; D200-S202 PolarHBondContact OD1-OG 3.02Å; D200-S202 PolarHBondContact OD2-OG 3.04Å; D200-I203 HydrophobicContact CB-CD1 3.87Å; D200-I203 HydrophobicContact CB-CG1 4.18Å; D200-I203 WeakPolarHBondContact O-CB 3.35Å; D200-I203 PolarHBondContact O-N 3.22Å; D200-F204 WeakPolarHBondContact O-CD2 3.49Å; D200-F204 WeakPolarHBondContact O-CE2 3.18Å
201	H	88.9	Confident	90.3	Very high	55 Å²	55	53.3 Å²	53.3	26%	0.255	32%	0.316	S	S	.	.	H	α-helix	trans	-57.5	-34.6	177.3	-79.8	-150.2	0	0	0	112.6	S199 I203 F204 D205 F328	S199-H201 PolarHBondContact O-N 2.84Å; H201-I203 PolarHBondContact O-N 3.17Å; H201-I203 VanDerWaalsContact O-N 3.08Å; H201-F204 PolarHBondContact O-N 3.46Å; H201-D205 PolarHBondContact O-N 3.49Å; H201-D205 VanDerWaalsContact O-N 3.15Å; H201-F328 PolarHBondContact CE1-O 3.27Å; H201-F328 AromaticContact NE2-CD1 3.94Å; H201-F328 PolarHBondContact NE2-N 2.99Å; H201-F328 VanDerWaalsContact NE2-N 3.17Å; H201-F328 PolarHBondContact NE2-O 2.88Å
202	S	91.4	Very high	90.7	Very high	64 Å²	64	53.2 Å²	53.2	45%	0.448	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-26.9	-176.7	81.5	0	0	0	0	112.9	D200 A206	D200-S202 PolarHBondContact O-N 3.38Å; D200-S202 WeakPolarHBondContact OD1-CB 3.3Å; D200-S202 PolarHBondContact OD1-N 3.17Å; D200-S202 PolarHBondContact OD1-OG 3.02Å; D200-S202 PolarHBondContact OD2-OG 3.04Å; S202-A206 WeakPolarHBondContact O-CB 3.22Å; S202-A206 PolarHBondContact O-N 3.29Å
203	I	91.3	Very high	91.2	Very high	27 Å²	27	55.6 Å²	55.6	14%	0.138	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-41.2	179.1	-63.7	169.3	0	0	0	110.9	A99 H103 V198 D200 H201 L207	A99-I203 HydrophobicContact CB-CG2 4.31Å; H103-I203 HydrophobicContact CB-CG2 3.71Å; V198-I203 HydrophobicContact CG1-CD1 3.66Å; V198-I203 HydrophobicContact CG1-CG2 4.41Å; D200-I203 HydrophobicContact CB-CD1 3.87Å; D200-I203 HydrophobicContact CB-CG1 4.18Å; D200-I203 WeakPolarHBondContact O-CB 3.35Å; D200-I203 PolarHBondContact O-N 3.22Å; H201-I203 PolarHBondContact O-N 3.17Å; H201-I203 VanDerWaalsContact O-N 3.08Å; I203-L207 PolarHBondContact O-N 2.82Å
204	F	93	Very high	91.6	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-73.4	-44	179.4	-54.4	-75.9	0	0	0	110.6	I96 A99 R100 V198 D200 H201 A206 L207 S208 P327	I96-F204 HydrophobicContact CB-CD1 4.41Å; I96-F204 HydrophobicContact CB-CE1 4.21Å; I96-F204 HydrophobicContact CG1-CD1 4.36Å; I96-F204 HydrophobicContact CG1-CE1 4.44Å; I96-F204 HydrophobicContact CG2-CD1 4.48Å; I96-F204 HydrophobicContact CG2-CE1 3.8Å; I96-F204 HydrophobicContact CG2-CZ 4.48Å; A99-F204 HydrophobicContact CB-CD1 3.6Å; A99-F204 HydrophobicContact CB-CE1 4.16Å; A99-F204 HydrophobicContact CB-CG 4.4Å; R100-F204 HydrophobicContact CG-CE1 3.84Å; R100-F204 HydrophobicContact CG-CZ 4.1Å; V198-F204 HydrophobicContact CG1-CZ 4.2Å; D200-F204 WeakPolarHBondContact O-CD2 3.49Å; D200-F204 WeakPolarHBondContact O-CE2 3.18Å; H201-F204 PolarHBondContact O-N 3.46Å; F204-A206 PolarHBondContact O-N 3.44Å; F204-L207 PolarHBondContact O-N 2.85Å; F204-S208 PolarHBondContact O-N 3.2Å; F204-S208 PolarHBondContact O-OG 2.96Å; F204-P327 HydrophobicContact CD1-CG 4.48Å; F204-P327 HydrophobicContact CD2-CB 3.91Å; F204-P327 HydrophobicContact CD2-CG 4.15Å; F204-P327 HydrophobicContact CE2-CB 4.15Å; F204-P327 HydrophobicContact CE2-CG 4.36Å; F204-P327 HydrophobicContact CG-CB 4.4Å; F204-P327 HydrophobicContact CG-CG 4.22Å
205	D	93	Very high	92.1	Very high	65 Å²	65	49.8 Å²	49.8	35%	0.348	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-41	178.4	-68	-15.8	0	0	0	112	H201 L207 S208 R209	H201-D205 PolarHBondContact O-N 3.49Å; H201-D205 VanDerWaalsContact O-N 3.15Å; D205-L207 VanDerWaalsContact C-N 3.29Å; D205-L207 PolarHBondContact O-N 3.33Å; D205-S208 WeakPolarHBondContact CA-OG 3.4Å; D205-S208 PolarHBondContact O-N 2.69Å; D205-S208 PolarHBondContact O-OG 3.46Å; D205-R209 VanDerWaalsContact O-CB 3.27Å; D205-R209 WeakPolarHBondContact O-CB 3.27Å; D205-R209 WeakPolarHBondContact O-CG 3.37Å; D205-R209 PolarHBondContact O-N 3.43Å
206	A	94	Very high	92.6	Very high	63 Å²	63	47.8 Å²	47.8	52%	0.521	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-38.4	177.7	0	0	0	0	0	112.1	S202 F204 F210	S202-A206 WeakPolarHBondContact O-CB 3.22Å; S202-A206 PolarHBondContact O-N 3.29Å; F204-A206 PolarHBondContact O-N 3.44Å; A206-F210 VanDerWaalsContact O-CB 3.28Å; A206-F210 WeakPolarHBondContact O-CB 3.49Å; A206-F210 PolarHBondContact O-N 2.89Å; A206-F210 VanDerWaalsContact O-N 3.13Å
207	L	94.5	Very high	93.2	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-68.3	-48.8	176.6	-168.3	88.4	0	0	0	111.2	I95 R98 A99 K102 I203 F204 D205 F210 Y211	I95-L207 HydrophobicContact CG2-CD2 4.33Å; R98-L207 HydrophobicContact CB-CD2 3.87Å; R98-L207 HydrophobicContact CG-CD2 3.93Å; A99-L207 HydrophobicContact CB-CB 4.07Å; A99-L207 HydrophobicContact CB-CD2 3.91Å; A99-L207 HydrophobicContact CB-CG 4.48Å; K102-L207 HydrophobicContact CD-CD1 3.7Å; I203-L207 PolarHBondContact O-N 2.82Å; F204-L207 PolarHBondContact O-N 2.85Å; D205-L207 VanDerWaalsContact C-N 3.29Å; D205-L207 PolarHBondContact O-N 3.33Å; L207-F210 PolarHBondContact O-N 2.94Å; L207-Y211 HydrophobicContact CD1-CD2 4.3Å; L207-Y211 HydrophobicContact CD1-CE2 3.76Å; L207-Y211 HydrophobicContact CD2-CE2 4.4Å; L207-Y211 HydrophobicContact CG-CD2 3.94Å; L207-Y211 HydrophobicContact CG-CE2 3.89Å; L207-Y211 WeakPolarHBondContact O-CD2 3.2Å; L207-Y211 PolarHBondContact O-N 3.46Å; L207-Y211 VanDerWaalsContact O-N 3.13Å
208	S	95.8	Very high	93.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-45.1	-177.3	62.8	0	0	0	0	111.2	V52 F204 D205 F210 Y211 E212	V52-S208 WeakPolarHBondContact CG2-O 3.43Å; F204-S208 PolarHBondContact O-N 3.2Å; F204-S208 PolarHBondContact O-OG 2.96Å; D205-S208 WeakPolarHBondContact CA-OG 3.4Å; D205-S208 PolarHBondContact O-N 2.69Å; D205-S208 PolarHBondContact O-OG 3.46Å; S208-F210 PolarHBondContact O-N 3.13Å; S208-Y211 PolarHBondContact O-N 3.02Å; S208-E212 VanDerWaalsContact O-CB 3.32Å; S208-E212 WeakPolarHBondContact O-CB 3.45Å; S208-E212 PolarHBondContact O-N 3.09Å
209	R	95.9	Very high	94.1	Very high	92 Å²	92	48.2 Å²	48.2	35%	0.347	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-42.2	175.8	-67.8	-67.4	-179.7	167.7	-3.1	112.6	D205 Y211 E212 E213 E235	D205-R209 VanDerWaalsContact O-CB 3.27Å; D205-R209 WeakPolarHBondContact O-CB 3.27Å; D205-R209 WeakPolarHBondContact O-CG 3.37Å; D205-R209 PolarHBondContact O-N 3.43Å; R209-Y211 PolarHBondContact O-N 3.4Å; R209-E212 IonicContact NH1-OE2 3.39Å; R209-E212 PolarHBondContact O-N 3.3Å; R209-E213 WeakPolarHBondContact O-CG 3.3Å; R209-E213 PolarHBondContact O-N 3Å; R209-E235 IonicContact NH2-OE1 3.6Å; R209-E235 PolarHBondContact NH2-OE1 3.34Å
210	F	96.5	Very high	94.7	Very high	103 Å²	103	47.7 Å²	47.7	45%	0.452	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-48.1	176.5	175.4	-92.2	0	0	0	111.9	A206 L207 S208 E213 D214	A206-F210 VanDerWaalsContact O-CB 3.28Å; A206-F210 WeakPolarHBondContact O-CB 3.49Å; A206-F210 PolarHBondContact O-N 2.89Å; A206-F210 VanDerWaalsContact O-N 3.13Å; L207-F210 PolarHBondContact O-N 2.94Å; S208-F210 PolarHBondContact O-N 3.13Å; F210-E213 PolarHBondContact O-N 2.84Å; F210-D214 WeakPolarHBondContact O-CB 3.31Å; F210-D214 PolarHBondContact O-N 3.22Å
211	Y	96.9	Very high	95	Very high	27 Å²	27	46.2 Å²	46.2	11%	0.106	25%	0.251	C	S	.	.	H	α-helix	trans	-77.6	-24.4	-179.8	-74.4	-64.7	0	0	0	113.6	Y53 V55 L207 S208 R209 D214 F215	Y53-Y211 VanDerWaalsContact C-CD2 3.45Å; Y53-Y211 WeakPolarHBondContact O-CE2 3.29Å; V55-Y211 HydrophobicContact CG1-CE1 4.07Å; L207-Y211 HydrophobicContact CD1-CD2 4.3Å; L207-Y211 HydrophobicContact CD1-CE2 3.76Å; L207-Y211 HydrophobicContact CD2-CE2 4.4Å; L207-Y211 HydrophobicContact CG-CD2 3.94Å; L207-Y211 HydrophobicContact CG-CE2 3.89Å; L207-Y211 WeakPolarHBondContact O-CD2 3.2Å; L207-Y211 PolarHBondContact O-N 3.46Å; L207-Y211 VanDerWaalsContact O-N 3.13Å; S208-Y211 PolarHBondContact O-N 3.02Å; R209-Y211 PolarHBondContact O-N 3.4Å; Y211-D214 PolarHBondContact O-N 3.34Å; Y211-F215 VanDerWaalsContact O-CB 3.24Å; Y211-F215 WeakPolarHBondContact O-CB 3.29Å; Y211-F215 PolarHBondContact O-N 3.41Å
212	E	97.5	Very high	95.3	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-50.7	167.9	-174.2	-165.9	154.6	0	0	110.5	V52 I88 S208 R209 D214 F215 N216 L230 R232	V52-E212 HydrophobicContact CG1-CB 4.07Å; I88-E212 HydrophobicContact CD1-CG 4.32Å; I88-E212 HydrophobicContact CG1-CG 4.17Å; I88-E212 HydrophobicContact CG2-CG 4.24Å; S208-E212 VanDerWaalsContact O-CB 3.32Å; S208-E212 WeakPolarHBondContact O-CB 3.45Å; S208-E212 PolarHBondContact O-N 3.09Å; R209-E212 IonicContact NH1-OE2 3.39Å; R209-E212 PolarHBondContact O-N 3.3Å; E212-D214 VanDerWaalsContact C-N 3.3Å; E212-D214 PolarHBondContact O-N 2.93Å; E212-F215 PolarHBondContact O-N 2.97Å; E212-N216 WeakPolarHBondContact O-CB 3.34Å; E212-N216 VanDerWaalsContact O-CG 3.24Å; E212-N216 PolarHBondContact O-N 3.05Å; E212-N216 PolarHBondContact O-ND2 3.15Å; E212-L230 WeakPolarHBondContact OE1-CD2 3.47Å; E212-R232 VanDerWaalsContact CD-NE 3.34Å; E212-R232 IonicContact OE1-CZ 2.87Å; E212-R232 IonicContact OE1-NE 3.42Å; E212-R232 PolarHBondContact OE1-NE 3.21Å; E212-R232 VanDerWaalsContact OE1-NE 3.13Å; E212-R232 IonicContact OE1-NH2 3.79Å; E212-R232 PolarHBondContact OE1-NH2 3.22Å; E212-R232 IonicContact OE2-CZ 3.51Å; E212-R232 IonicContact OE2-NE 2.64Å; E212-R232 PolarHBondContact OE2-NE 2.95Å; E212-R232 IonicContact OE2-NH2 3.47Å
213	E	97.4	Very high	95.5	Very high	109 Å²	109	42.1 Å²	42.1	51%	0.509	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-40.4	175.3	-72.4	-179.9	-162.7	0	0	112.1	R209 F210 N216 K217	R209-E213 WeakPolarHBondContact O-CG 3.3Å; R209-E213 PolarHBondContact O-N 3Å; F210-E213 PolarHBondContact O-N 2.84Å; E213-N216 PolarHBondContact O-N 3.31Å; E213-K217 VanDerWaalsContact O-CG 3.28Å; E213-K217 WeakPolarHBondContact O-CG 3.17Å; E213-K217 PolarHBondContact O-N 2.84Å; E213-K217 IonicContact OE2-NZ 2.73Å
214	D	96.7	Very high	95.7	Very high	14 Å²	14	41.9 Å²	41.9	8%	0.075	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-44	177.6	-155.3	58.9	0	0	0	111.9	F210 Y211 E212 K217 D218 K414	F210-D214 WeakPolarHBondContact O-CB 3.31Å; F210-D214 PolarHBondContact O-N 3.22Å; Y211-D214 PolarHBondContact O-N 3.34Å; E212-D214 VanDerWaalsContact C-N 3.3Å; E212-D214 PolarHBondContact O-N 2.93Å; D214-K217 PolarHBondContact O-N 2.98Å; D214-D218 PolarHBondContact O-N 3.28Å; D214-K414 IonicContact OD1-NZ 2.71Å; D214-K414 PolarHBondContact OD1-NZ 3.29Å; D214-K414 IonicContact OD2-NZ 3.54Å; D214-K414 PolarHBondContact OD2-NZ 3.48Å
215	F	97.2	Very high	95.8	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-45.5	173.7	173.2	-97.1	0	0	0	111.6	P50 A56 Y64 M86 Y211 E212 K217 D218 M219	P50-F215 HydrophobicContact CB-CD2 4.14Å; P50-F215 HydrophobicContact CB-CE2 4.11Å; P50-F215 HydrophobicContact CB-CZ 4.49Å; P50-F215 HydrophobicContact CG-CD1 3.82Å; P50-F215 HydrophobicContact CG-CD2 3.82Å; P50-F215 HydrophobicContact CG-CE1 3.8Å; P50-F215 HydrophobicContact CG-CE2 3.8Å; P50-F215 HydrophobicContact CG-CG 3.82Å; P50-F215 HydrophobicContact CG-CZ 3.79Å; A56-F215 HydrophobicContact CB-CD2 4.08Å; Y64-F215 AromaticContact CD2-CE2 3.79Å; Y64-F215 HydrophobicContact CD2-CE2 3.79Å; Y64-F215 AromaticContact CD2-CZ 3.78Å; Y64-F215 HydrophobicContact CD2-CZ 3.78Å; Y64-F215 HydrophobicContact CE1-CZ 4.34Å; Y64-F215 AromaticContact CE2-CE2 3.46Å; Y64-F215 HydrophobicContact CE2-CE2 3.46Å; Y64-F215 VanDerWaalsContact CE2-CE2 3.46Å; Y64-F215 AromaticContact CE2-CZ 3.53Å; Y64-F215 HydrophobicContact CE2-CZ 3.53Å; Y64-F215 HydrophobicContact CG-CZ 4.32Å; Y64-F215 AromaticContact CZ-CZ 3.86Å; M86-F215 HydrophobicContact CE-CE1 4.06Å; Y211-F215 VanDerWaalsContact O-CB 3.24Å; Y211-F215 WeakPolarHBondContact O-CB 3.29Å; Y211-F215 PolarHBondContact O-N 3.41Å; E212-F215 PolarHBondContact O-N 2.97Å; F215-K217 VanDerWaalsContact C-N 3.31Å; F215-K217 PolarHBondContact O-N 3.41Å; F215-D218 WeakPolarHBondContact O-CB 3.45Å; F215-D218 PolarHBondContact O-N 3.34Å; F215-D218 VanDerWaalsContact O-N 3.14Å; F215-M219 HydrophobicContact CD1-CG 4.02Å; F215-M219 HydrophobicContact CD2-CE 4.13Å; F215-M219 HydrophobicContact CD2-CG 4.36Å; F215-M219 HydrophobicContact CE1-CG 3.52Å; F215-M219 HydrophobicContact CE1-SD 4.39Å; F215-M219 HydrophobicContact CE2-CE 3.66Å; F215-M219 HydrophobicContact CE2-CG 3.9Å; F215-M219 HydrophobicContact CE2-SD 3.89Å; F215-M219 HydrophobicContact CG-CG 4.42Å; F215-M219 HydrophobicContact CZ-CE 4.12Å; F215-M219 HydrophobicContact CZ-CG 3.45Å; F215-M219 VanDerWaalsContact CZ-CG 3.45Å; F215-M219 HydrophobicContact CZ-SD 3.7Å; F215-M219 WeakPolarHBondContact O-CG 3.22Å; F215-M219 PolarHBondContact O-N 2.96Å
216	N	96.3	Very high	95.9	Very high	63 Å²	63	44.9 Å²	44.9	34%	0.337	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-39.1	178.3	-71.4	-23.9	0	0	0	111.8	E212 E213 M219 A220	E212-N216 WeakPolarHBondContact O-CB 3.34Å; E212-N216 VanDerWaalsContact O-CG 3.24Å; E212-N216 PolarHBondContact O-N 3.05Å; E212-N216 PolarHBondContact O-ND2 3.15Å; E213-N216 PolarHBondContact O-N 3.31Å; N216-M219 PolarHBondContact O-N 3.41Å; N216-A220 WeakPolarHBondContact O-CB 3.41Å; N216-A220 PolarHBondContact O-N 2.95Å
217	K	96.8	Very high	96	Very high	123 Å²	123	43 Å²	43	54%	0.535	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-42.9	173.1	-71.7	164.1	-169.4	159.6	0	111.5	E213 D214 F215 A221	E213-K217 VanDerWaalsContact O-CG 3.28Å; E213-K217 WeakPolarHBondContact O-CG 3.17Å; E213-K217 PolarHBondContact O-N 2.84Å; E213-K217 IonicContact OE2-NZ 2.73Å; D214-K217 PolarHBondContact O-N 2.98Å; F215-K217 VanDerWaalsContact C-N 3.31Å; F215-K217 PolarHBondContact O-N 3.41Å; K217-A221 WeakPolarHBondContact O-CB 2.95Å; K217-A221 PolarHBondContact O-N 2.96Å
218	D	96.7	Very high	96.1	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.027	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-42.5	176.3	-79.6	-7.5	0	0	0	112	D214 F215 A221 L222 I413 K414	D214-D218 PolarHBondContact O-N 3.28Å; F215-D218 WeakPolarHBondContact O-CB 3.45Å; F215-D218 PolarHBondContact O-N 3.34Å; F215-D218 VanDerWaalsContact O-N 3.14Å; D218-A221 PolarHBondContact O-N 3.31Å; D218-L222 WeakPolarHBondContact O-CG 3.35Å; D218-L222 PolarHBondContact O-N 2.54Å; D218-L222 VanDerWaalsContact O-N 3.08Å; D218-I413 HydrophobicContact CB-CB 4.37Å; D218-I413 HydrophobicContact CB-CD1 4.07Å; D218-I413 HydrophobicContact CB-CG2 4.15Å; D218-K414 WeakPolarHBondContact OD1-CE 3.36Å; D218-K414 VanDerWaalsContact OD1-CG 3.29Å; D218-K414 WeakPolarHBondContact OD1-CG 3.36Å
219	M	97	Very high	96.3	Very high	13 Å²	13	48.8 Å²	48.8	6%	0.064	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-42.9	177.3	-69.2	-52	99.6	0	0	111.9	Y64 F215 N216 L222 N223 V224 I413	Y64-M219 HydrophobicContact CD2-CE 4.28Å; Y64-M219 HydrophobicContact CD2-SD 3.85Å; Y64-M219 HydrophobicContact CG-SD 3.94Å; F215-M219 HydrophobicContact CD1-CG 4.02Å; F215-M219 HydrophobicContact CD2-CE 4.13Å; F215-M219 HydrophobicContact CD2-CG 4.36Å; F215-M219 HydrophobicContact CE1-CG 3.52Å; F215-M219 HydrophobicContact CE1-SD 4.39Å; F215-M219 HydrophobicContact CE2-CE 3.66Å; F215-M219 HydrophobicContact CE2-CG 3.9Å; F215-M219 HydrophobicContact CE2-SD 3.89Å; F215-M219 HydrophobicContact CG-CG 4.42Å; F215-M219 HydrophobicContact CZ-CE 4.12Å; F215-M219 HydrophobicContact CZ-CG 3.45Å; F215-M219 VanDerWaalsContact CZ-CG 3.45Å; F215-M219 HydrophobicContact CZ-SD 3.7Å; F215-M219 WeakPolarHBondContact O-CG 3.22Å; F215-M219 PolarHBondContact O-N 2.96Å; N216-M219 PolarHBondContact O-N 3.41Å; M219-L222 HydrophobicContact CE-CD1 4.1Å; M219-L222 CarbonylContact O-C 3.35Å; M219-L222 PolarHBondContact O-N 3.31Å; M219-L222 VanDerWaalsContact O-N 3.15Å; M219-N223 PolarHBondContact O-N 2.9Å; M219-V224 HydrophobicContact CB-CB 4.18Å; M219-V224 HydrophobicContact CB-CG1 4.5Å; M219-V224 WeakPolarHBondContact O-CB 3.21Å; M219-V224 PolarHBondContact O-N 3.45Å; M219-V224 HydrophobicContact SD-CB 4.42Å; M219-V224 HydrophobicContact SD-CG1 4.43Å; M219-V224 HydrophobicContact SD-CG2 4.25Å; M219-I413 HydrophobicContact CE-CD1 3.64Å
220	A	95	Very high	96.3	Very high	69 Å²	69	47 Å²	47	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-61.2	-44.7	174.3	0	0	0	0	0	111.3	N216 L222 N223	N216-A220 WeakPolarHBondContact O-CB 3.41Å; N216-A220 PolarHBondContact O-N 2.95Å; A220-L222 PolarHBondContact O-N 2.87Å; A220-N223 PolarHBondContact O-N 3.43Å
221	A	93.6	Very high	96.4	Very high	51 Å²	51	42 Å²	42	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-27	176.1	0	0	0	0	0	113	K217 D218 L417 A422	K217-A221 WeakPolarHBondContact O-CB 2.95Å; K217-A221 PolarHBondContact O-N 2.96Å; D218-A221 PolarHBondContact O-N 3.31Å; A221-L417 HydrophobicContact CB-CD1 3.85Å; A221-A422 WeakPolarHBondContact O-CB 3.22Å
222	L	94.7	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	6	175.3	-67.9	174.7	0	0	0	114.3	A61 I65 D218 M219 A220 V224 I413 L417 A422 L425 R426	A61-L222 HydrophobicContact CB-CD1 3.7Å; I65-L222 HydrophobicContact CD1-CB 4.09Å; I65-L222 HydrophobicContact CD1-CD1 4.14Å; I65-L222 HydrophobicContact CD1-CD2 4.13Å; I65-L222 HydrophobicContact CD1-CG 4.35Å; I65-L222 HydrophobicContact CG1-CB 4.42Å; D218-L222 WeakPolarHBondContact O-CG 3.35Å; D218-L222 PolarHBondContact O-N 2.54Å; D218-L222 VanDerWaalsContact O-N 3.08Å; M219-L222 HydrophobicContact CE-CD1 4.1Å; M219-L222 CarbonylContact O-C 3.35Å; M219-L222 PolarHBondContact O-N 3.31Å; M219-L222 VanDerWaalsContact O-N 3.15Å; A220-L222 PolarHBondContact O-N 2.87Å; L222-V224 HydrophobicContact CB-CG2 4.17Å; L222-V224 PolarHBondContact O-N 2.86Å; L222-I413 HydrophobicContact CD1-CD1 3.84Å; L222-I413 HydrophobicContact CD1-CG1 4.33Å; L222-I413 HydrophobicContact CD1-CG2 3.67Å; L222-I413 HydrophobicContact CD2-CG2 4.11Å; L222-I413 HydrophobicContact CG-CG2 3.9Å; L222-L417 HydrophobicContact CD2-CD1 4.36Å; L222-L417 HydrophobicContact CD2-CD2 4.04Å; L222-L417 HydrophobicContact CD2-CG 4.44Å; L222-A422 HydrophobicContact CD2-CB 4.32Å; L222-L425 HydrophobicContact CD2-CD1 4.03Å; L222-R426 PolarHBondContact O-NH2 3.44Å
223	N	94.7	Very high	96.4	Very high	33 Å²	33	42.3 Å²	42.3	18%	0.176	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	28.8	-176.1	-168.4	25.3	0	0	0	113.8	R72 M219 A220 R426 G557	R72-N223 PolarHBondContact NH2-O 3.08Å; M219-N223 PolarHBondContact O-N 2.9Å; A220-N223 PolarHBondContact O-N 3.43Å; N223-R426 PolarHBondContact O-NH2 3.36Å; N223-G557 PolarHBondContact ND2-O 3.27Å
224	V	96.2	Very high	96.3	Very high	22 Å²	22	38.6 Å²	38.6	13%	0.133	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-76.9	125.7	172.3	173.1	0	0	0	0	107.7	I65 D68 M219 L222	I65-V224 HydrophobicContact CG1-CG2 3.84Å; D68-V224 HydrophobicContact CB-CG1 4.17Å; D68-V224 HydrophobicContact CB-CG2 4.39Å; M219-V224 HydrophobicContact CB-CB 4.18Å; M219-V224 HydrophobicContact CB-CG1 4.5Å; M219-V224 WeakPolarHBondContact O-CB 3.21Å; M219-V224 PolarHBondContact O-N 3.45Å; M219-V224 HydrophobicContact SD-CB 4.42Å; M219-V224 HydrophobicContact SD-CG1 4.43Å; M219-V224 HydrophobicContact SD-CG2 4.25Å; L222-V224 HydrophobicContact CB-CG2 4.17Å; L222-V224 PolarHBondContact O-N 2.86Å
225	L	94.8	Very high	96.3	Very high	34 Å²	34	42.1 Å²	42.1	18%	0.178	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-67.1	147.6	178	-47.1	164.2	0	0	0	109.5	D68 R71 R72	D68-L225 PolarHBondContact OD1-N 3.47Å; D68-L225 VanDerWaalsContact OD1-N 3.09Å; R71-L225 PolarHBondContact NH2-O 3.35Å; R72-L225 HydrophobicContact CG-CD1 4.02Å; R72-L225 VanDerWaalsContact CZ-CG 3.46Å; R72-L225 VanDerWaalsContact NH2-CG 3.31Å
226	P	95.6	Very high	96.3	Very high	101 Å²	101	43.6 Å²	43.6	66%	0.656	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-57	156.1	171.8	26.1	-35.5	0	0	0	111.2	R71	R71-P226 PolarHBondContact NH1-O 2.78Å
227	A	96.4	Very high	96.3	Very high	22 Å²	22	40.9 Å²	40.9	18%	0.182	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-67.6	150.1	165.6	0	0	0	0	0	109.8	Y84 M86 V229	Y84-A227 HydrophobicContact CD1-CB 3.98Å; M86-A227 HydrophobicContact CB-CB 3.71Å; A227-V229 VanDerWaalsContact C-N 3.28Å
228	D	97.2	Very high	96.3	Very high	84 Å²	84	39.4 Å²	39.4	45%	0.449	24%	0.237	S	C	.	.	S	Bend	trans	-70.2	-32.3	175.5	-58.1	-66.7	0	0	0	110.5	L83 Y84	L83-D228 HydrophobicContact CD1-CB 4.1Å; Y84-D228 WeakPolarHBondContact CA-OD2 3.33Å; Y84-D228 WeakPolarHBondContact CB-OD2 3.31Å; Y84-D228 PolarHBondContact N-OD2 2.71Å; Y84-D228 PolarHBondContact O-N 2.97Å
229	V	98	Very high	96.4	Very high	44 Å²	44	43.4 Å²	43.4	27%	0.267	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.1	171.5	-177.5	0	0	0	0	109.5	L83 Y84 V85 M86 A227 T231 I351	L83-V229 HydrophobicContact CD1-CG2 4.15Å; Y84-V229 PolarHBondContact O-N 3.23Å; V85-V229 WeakPolarHBondContact CA-O 3.38Å; V85-V229 HydrophobicContact CG1-CB 4.19Å; V85-V229 HydrophobicContact CG1-CG1 4.36Å; V85-V229 HydrophobicContact CG2-CB 4.23Å; M86-V229 PolarHBondContact N-O 2.73Å; A227-V229 VanDerWaalsContact C-N 3.28Å; V229-T231 HydrophobicContact CG1-CG2 4.05Å; V229-I351 HydrophobicContact CG1-CD1 4.27Å; V229-I351 HydrophobicContact CG1-CG1 4.25Å; V229-I351 HydrophobicContact CG1-CG2 4.39Å; V229-I351 HydrophobicContact CG2-CG2 4.32Å
230	L	97.3	Very high	96.5	Very high	53 Å²	53	42.8 Å²	42.8	28%	0.277	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.7	172.8	-166.7	87.2	0	0	0	109	M86 I88 E212	M86-L230 HydrophobicContact CB-CD1 4.42Å; M86-L230 HydrophobicContact CE-CD1 3.35Å; M86-L230 VanDerWaalsContact O-CA 3.29Å; M86-L230 WeakPolarHBondContact O-CA 3.33Å; I88-L230 HydrophobicContact CD1-CD1 4Å; I88-L230 HydrophobicContact CG1-CD1 3.88Å; I88-L230 HydrophobicContact CG1-CD2 3.91Å; I88-L230 HydrophobicContact CG1-CG 3.96Å; E212-L230 WeakPolarHBondContact OE1-CD2 3.47Å
231	T	97.8	Very high	96.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.2	179.1	61.9	0	0	0	0	110.9	V85 M86 N87 I88 V229 Y236 M347 I351	V85-T231 HydrophobicContact CG1-CG2 4.4Å; M86-T231 PolarHBondContact O-N 3.38Å; N87-T231 CarbonylContact C-O 3.59Å; N87-T231 VanDerWaalsContact CA-O 3.24Å; N87-T231 WeakPolarHBondContact CA-O 3.24Å; N87-T231 WeakPolarHBondContact CA-OG1 3.42Å; N87-T231 WeakPolarHBondContact CB-OG1 3.39Å; I88-T231 PolarHBondContact N-O 3.35Å; V229-T231 HydrophobicContact CG1-CG2 4.05Å; T231-Y236 HydrophobicContact CG2-CE2 3.9Å; T231-M347 VanDerWaalsContact CB-SD 3.55Å; T231-M347 HydrophobicContact CG2-CB 4.48Å; T231-M347 PolarHBondContact OG1-SD 3.22Å; T231-I351 HydrophobicContact CG2-CG1 4.07Å
232	R	97.8	Very high	96.8	Very high	41 Å²	41	40.3 Å²	40.3	16%	0.155	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.8	175.6	-56.9	-173.7	-173.9	73.9	7.4	110.2	I88 E212 S234 E235 Y236	I88-R232 HydrophobicContact CB-CG 4.26Å; E212-R232 VanDerWaalsContact CD-NE 3.34Å; E212-R232 IonicContact OE1-CZ 2.87Å; E212-R232 IonicContact OE1-NE 3.42Å; E212-R232 PolarHBondContact OE1-NE 3.21Å; E212-R232 VanDerWaalsContact OE1-NE 3.13Å; E212-R232 IonicContact OE1-NH2 3.79Å; E212-R232 PolarHBondContact OE1-NH2 3.22Å; E212-R232 IonicContact OE2-CZ 3.51Å; E212-R232 IonicContact OE2-NE 2.64Å; E212-R232 PolarHBondContact OE2-NE 2.95Å; E212-R232 IonicContact OE2-NH2 3.47Å; R232-S234 VanDerWaalsContact C-N 3.27Å; R232-S234 PolarHBondContact O-N 3.24Å; R232-E235 HydrophobicContact CB-CG 4.1Å; R232-E235 WeakPolarHBondContact CD-OE1 3.32Å; R232-E235 IonicContact CZ-OE1 2.68Å; R232-E235 IonicContact NE-OE1 3.45Å; R232-E235 IonicContact NH1-OE1 2.63Å; R232-E235 PolarHBondContact NH1-OE1 3.43Å; R232-E235 IonicContact NH1-OE2 3.9Å; R232-E235 WeakPolarHBondContact O-CB 3.43Å; R232-E235 PolarHBondContact O-N 2.88Å; R232-Y236 VanDerWaalsContact O-CD2 3.3Å; R232-Y236 WeakPolarHBondContact O-CD2 3.44Å
233	V	97.2	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-60.5	-41.5	-175.6	-171.9	0	0	0	0	111	I88 D90 I91 E235 Y236 V237 I240 P338 E343 M347	I88-V233 PolarHBondContact O-N 3Å; D90-V233 WeakPolarHBondContact OD1-CA 3.4Å; D90-V233 VanDerWaalsContact OD1-CB 3.25Å; D90-V233 WeakPolarHBondContact OD1-CB 3.38Å; D90-V233 PolarHBondContact OD1-N 3.29Å; I91-V233 HydrophobicContact CB-CB 4.38Å; I91-V233 HydrophobicContact CB-CG1 4.27Å; I91-V233 HydrophobicContact CD1-CB 4.26Å; I91-V233 HydrophobicContact CD1-CG1 4.02Å; I91-V233 HydrophobicContact CG1-CB 4.33Å; I91-V233 HydrophobicContact CG1-CG1 4.43Å; V233-E235 PolarHBondContact O-N 3.43Å; V233-E235 VanDerWaalsContact O-N 3.12Å; V233-Y236 PolarHBondContact O-N 2.84Å; V233-V237 WeakPolarHBondContact O-CG2 3.49Å; V233-V237 PolarHBondContact O-N 3.14Å; V233-I240 HydrophobicContact CG1-CD1 3.92Å; V233-P338 HydrophobicContact CG1-CB 4.32Å; V233-P338 HydrophobicContact CG1-CG 4.1Å; V233-E343 HydrophobicContact CB-CG 4.46Å; V233-E343 HydrophobicContact CG1-CB 4.1Å; V233-E343 HydrophobicContact CG1-CG 3.57Å; V233-E343 HydrophobicContact CG2-CB 3.98Å; V233-E343 HydrophobicContact CG2-CG 3.97Å; V233-E343 WeakPolarHBondContact CG2-OE2 3.3Å; V233-M347 HydrophobicContact CG2-CE 3.92Å
234	S	95.3	Very high	97.1	Very high	31 Å²	31	39.1 Å²	39.1	22%	0.217	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57.2	-26	178	62.8	0	0	0	0	114.4	D90 R232	D90-S234 PolarHBondContact OD1-N 2.85Å; D90-S234 WeakPolarHBondContact OD2-CB 3.32Å; D90-S234 PolarHBondContact OD2-OG 3.47Å; R232-S234 VanDerWaalsContact C-N 3.27Å; R232-S234 PolarHBondContact O-N 3.24Å
235	E	96.4	Very high	97.2	Very high	88 Å²	88	41.6 Å²	41.6	41%	0.411	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-85.3	-13.9	-178.8	-64.5	167.1	-175.8	0	0	112.6	R209 R232 V233	R209-E235 IonicContact NH2-OE1 3.6Å; R209-E235 PolarHBondContact NH2-OE1 3.34Å; R232-E235 HydrophobicContact CB-CG 4.1Å; R232-E235 WeakPolarHBondContact CD-OE1 3.32Å; R232-E235 IonicContact CZ-OE1 2.68Å; R232-E235 IonicContact NE-OE1 3.45Å; R232-E235 IonicContact NH1-OE1 2.63Å; R232-E235 PolarHBondContact NH1-OE1 3.43Å; R232-E235 IonicContact NH1-OE2 3.9Å; R232-E235 WeakPolarHBondContact O-CB 3.43Å; R232-E235 PolarHBondContact O-N 2.88Å; V233-E235 PolarHBondContact O-N 3.43Å; V233-E235 VanDerWaalsContact O-N 3.12Å
236	Y	97.5	Very high	97.3	Very high	39 Å²	39	43.2 Å²	43.2	15%	0.153	24%	0.239	C	C	.	.	S	Bend	trans	-119	13.8	-174.4	-72.6	-98.9	0	0	0	113.6	T231 R232 V233 E239 I240 M347 A350	T231-Y236 HydrophobicContact CG2-CE2 3.9Å; R232-Y236 VanDerWaalsContact O-CD2 3.3Å; R232-Y236 WeakPolarHBondContact O-CD2 3.44Å; V233-Y236 PolarHBondContact O-N 2.84Å; Y236-E239 WeakPolarHBondContact CA-OE2 3.35Å; Y236-E239 HydrophobicContact CD1-CG 4.44Å; Y236-E239 PolarHBondContact O-N 3.09Å; Y236-I240 VanDerWaalsContact O-CG1 3.29Å; Y236-I240 WeakPolarHBondContact O-CG1 3.35Å; Y236-I240 PolarHBondContact O-N 3.1Å; Y236-M347 HydrophobicContact CD1-CG 4.2Å; Y236-M347 HydrophobicContact CD2-CG 3.88Å; Y236-M347 HydrophobicContact CD2-SD 4.24Å; Y236-M347 HydrophobicContact CE2-CG 4.37Å; Y236-M347 HydrophobicContact CG-CG 3.79Å; Y236-A350 HydrophobicContact CD1-CB 4.37Å; Y236-A350 HydrophobicContact CE1-CB 3.95Å
237	V	97	Very high	97.4	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-43.2	-179	-179	0	0	0	0	113.1	I91 V233 E239 I240 V241 W319 W329 P338	I91-V237 HydrophobicContact CD1-CG2 4.06Å; V233-V237 WeakPolarHBondContact O-CG2 3.49Å; V233-V237 PolarHBondContact O-N 3.14Å; V237-E239 VanDerWaalsContact C-N 3.34Å; V237-E239 PolarHBondContact O-N 3.49Å; V237-I240 WeakPolarHBondContact O-CB 3.31Å; V237-I240 PolarHBondContact O-N 3.19Å; V237-V241 WeakPolarHBondContact O-CG2 3.42Å; V237-V241 PolarHBondContact O-N 3.03Å; V237-W319 HydrophobicContact CG1-CH2 3.9Å; V237-W319 HydrophobicContact CG1-CZ3 4.08Å; V237-W329 HydrophobicContact CB-CG 4.36Å; V237-W329 HydrophobicContact CG1-CB 3.72Å; V237-W329 HydrophobicContact CG1-CD2 4.46Å; V237-W329 HydrophobicContact CG1-CG 3.73Å; V237-W329 HydrophobicContact CG2-CD2 4.3Å; V237-W329 HydrophobicContact CG2-CG 4.23Å; V237-P338 HydrophobicContact CG2-CG 4.32Å
238	P	97.1	Very high	97.4	Very high	93 Å²	93	39.8 Å²	39.8	60%	0.604	21%	0.211	S	C	*	.	H	α-helix	trans	-59.3	-42.8	176.3	-24.5	35.8	0	0	0	113.2	I240 V241 A242	P238-I240 VanDerWaalsContact C-N 3.33Å; P238-V241 PolarHBondContact O-N 3.32Å; P238-A242 PolarHBondContact O-N 3.02Å; P238-A242 VanDerWaalsContact O-N 3.07Å
239	E	97.9	Very high	97.4	Very high	89 Å²	89	43.1 Å²	43.1	42%	0.416	22%	0.224	S	C	.	.	H	α-helix	trans	-64.7	-38.8	176.4	-67.2	81.4	172.6	0	0	111.1	Y236 V237 A242 F243 V346	Y236-E239 WeakPolarHBondContact CA-OE2 3.35Å; Y236-E239 HydrophobicContact CD1-CG 4.44Å; Y236-E239 PolarHBondContact O-N 3.09Å; V237-E239 VanDerWaalsContact C-N 3.34Å; V237-E239 PolarHBondContact O-N 3.49Å; E239-A242 PolarHBondContact O-N 3.42Å; E239-F243 WeakPolarHBondContact O-CB 3.13Å; E239-F243 PolarHBondContact O-N 3.48Å; E239-V346 HydrophobicContact CB-CG1 3.61Å
240	I	98.1	Very high	97.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-48.1	174.9	-70.1	164.7	0	0	0	110.5	V233 Y236 V237 P238 A242 F243 V244 W319 P338 I342 V346	V233-I240 HydrophobicContact CG1-CD1 3.92Å; Y236-I240 VanDerWaalsContact O-CG1 3.29Å; Y236-I240 WeakPolarHBondContact O-CG1 3.35Å; Y236-I240 PolarHBondContact O-N 3.1Å; V237-I240 WeakPolarHBondContact O-CB 3.31Å; V237-I240 PolarHBondContact O-N 3.19Å; P238-I240 VanDerWaalsContact C-N 3.33Å; I240-A242 PolarHBondContact O-N 2.89Å; I240-F243 WeakPolarHBondContact O-CB 3.39Å; I240-F243 PolarHBondContact O-N 3.34Å; I240-V244 HydrophobicContact CG2-CG2 4.44Å; I240-V244 WeakPolarHBondContact O-CG2 3.18Å; I240-V244 PolarHBondContact O-N 3.19Å; I240-W319 HydrophobicContact CG2-CZ3 4.49Å; I240-P338 HydrophobicContact CD1-CB 3.99Å; I240-P338 HydrophobicContact CD1-CG 3.71Å; I240-P338 HydrophobicContact CG2-CB 4.15Å; I240-P338 HydrophobicContact CG2-CG 4.18Å; I240-I342 HydrophobicContact CG2-CG1 4.14Å; I240-I342 HydrophobicContact CG2-CG2 3.71Å; I240-V346 HydrophobicContact CB-CG2 4.43Å; I240-V346 HydrophobicContact CG1-CB 3.9Å; I240-V346 HydrophobicContact CG1-CG1 3.92Å; I240-V346 HydrophobicContact CG1-CG2 3.89Å
241	V	97.9	Very high	97.2	Very high	16 Å²	16	44.5 Å²	44.5	10%	0.097	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-49.8	178.3	172.1	0	0	0	0	110.6	V237 P238 F243 V244 E245 W319 P332 W333	V237-V241 WeakPolarHBondContact O-CG2 3.42Å; V237-V241 PolarHBondContact O-N 3.03Å; P238-V241 PolarHBondContact O-N 3.32Å; V241-F243 VanDerWaalsContact C-N 3.28Å; V241-F243 PolarHBondContact O-N 2.89Å; V241-V244 PolarHBondContact O-N 2.85Å; V241-E245 WeakPolarHBondContact O-CG 3.35Å; V241-E245 PolarHBondContact O-N 3.47Å; V241-W319 HydrophobicContact CG2-CE3 4.27Å; V241-W319 HydrophobicContact CG2-CH2 3.76Å; V241-W319 HydrophobicContact CG2-CZ3 3.59Å; V241-P332 HydrophobicContact CG1-CG 4.07Å; V241-W333 HydrophobicContact CG1-CH2 4.09Å; V241-W333 HydrophobicContact CG1-CZ3 4.1Å
242	A	97.6	Very high	97.2	Very high	51 Å²	51	45.6 Å²	45.6	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-36.1	178.1	0	0	0	0	0	112.7	P238 E239 I240 K246	P238-A242 PolarHBondContact O-N 3.02Å; P238-A242 VanDerWaalsContact O-N 3.07Å; E239-A242 PolarHBondContact O-N 3.42Å; I240-A242 PolarHBondContact O-N 2.89Å; A242-K246 PolarHBondContact O-N 3.42Å
243	F	97.9	Very high	97.2	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-44.8	176.9	-156	-79	0	0	0	111.6	E239 I240 V241 K246 I247 I342 V346 Y380	E239-F243 WeakPolarHBondContact O-CB 3.13Å; E239-F243 PolarHBondContact O-N 3.48Å; I240-F243 WeakPolarHBondContact O-CB 3.39Å; I240-F243 PolarHBondContact O-N 3.34Å; V241-F243 VanDerWaalsContact C-N 3.28Å; V241-F243 PolarHBondContact O-N 2.89Å; F243-K246 PolarHBondContact O-N 3.25Å; F243-I247 HydrophobicContact CD1-CD1 3.73Å; F243-I247 HydrophobicContact CD1-CG1 4.22Å; F243-I247 HydrophobicContact CE1-CD1 3.85Å; F243-I247 HydrophobicContact CE1-CG1 4.42Å; F243-I247 WeakPolarHBondContact O-CG1 3.3Å; F243-I247 PolarHBondContact O-N 3.4Å; F243-I342 HydrophobicContact CD1-CD1 3.7Å; F243-I342 HydrophobicContact CE1-CD1 4.03Å; F243-V346 HydrophobicContact CB-CG2 3.6Å; F243-V346 HydrophobicContact CD1-CG2 4.14Å; F243-V346 HydrophobicContact CD2-CG2 3.67Å; F243-V346 HydrophobicContact CE2-CG2 4.29Å; F243-V346 HydrophobicContact CG-CG2 3.57Å; F243-Y380 HydrophobicContact CB-CD2 4.3Å; F243-Y380 HydrophobicContact CB-CE2 4.23Å; F243-Y380 AromaticContact CD1-CD2 3.49Å; F243-Y380 HydrophobicContact CD1-CD2 3.49Å; F243-Y380 VanDerWaalsContact CD1-CD2 3.49Å; F243-Y380 HydrophobicContact CD1-CE2 4.23Å; F243-Y380 AromaticContact CD1-CG 3.91Å; F243-Y380 HydrophobicContact CD1-CG 3.91Å; F243-Y380 HydrophobicContact CD2-CD1 4.16Å; F243-Y380 AromaticContact CD2-CD2 3.55Å; F243-Y380 HydrophobicContact CD2-CD2 3.55Å; F243-Y380 HydrophobicContact CD2-CE1 4.16Å; F243-Y380 AromaticContact CD2-CE2 3.57Å; F243-Y380 HydrophobicContact CD2-CE2 3.57Å; F243-Y380 AromaticContact CD2-CG 3.87Å; F243-Y380 HydrophobicContact CD2-CG 3.87Å; F243-Y380 AromaticContact CD2-CZ 3.89Å; F243-Y380 HydrophobicContact CE1-CD1 4.39Å; F243-Y380 AromaticContact CE1-CD2 3.66Å; F243-Y380 HydrophobicContact CE1-CD2 3.66Å; F243-Y380 AromaticContact CE1-CG 3.54Å; F243-Y380 HydrophobicContact CE1-CG 3.54Å; F243-Y380 AromaticContact CE2-CD1 3.56Å; F243-Y380 HydrophobicContact CE2-CD1 3.56Å; F243-Y380 AromaticContact CE2-CD2 3.69Å; F243-Y380 HydrophobicContact CE2-CD2 3.69Å; F243-Y380 AromaticContact CE2-CE1 3.87Å; F243-Y380 HydrophobicContact CE2-CE1 3.87Å; F243-Y380 HydrophobicContact CE2-CE2 4Å; F243-Y380 AromaticContact CE2-CG 3.48Å; F243-Y380 HydrophobicContact CE2-CG 3.48Å; F243-Y380 VanDerWaalsContact CE2-CG 3.48Å; F243-Y380 AromaticContact CG-CD2 3.47Å; F243-Y380 HydrophobicContact CG-CD2 3.47Å; F243-Y380 VanDerWaalsContact CG-CD2 3.47Å; F243-Y380 AromaticContact CG-CE2 3.72Å; F243-Y380 HydrophobicContact CG-CE2 3.72Å; F243-Y380 HydrophobicContact CG-CG 4.09Å; F243-Y380 AromaticContact CZ-CD1 3.72Å; F243-Y380 HydrophobicContact CZ-CD1 3.72Å; F243-Y380 AromaticContact CZ-CD2 3.76Å; F243-Y380 HydrophobicContact CZ-CD2 3.76Å; F243-Y380 HydrophobicContact CZ-CE1 4.48Å; F243-Y380 AromaticContact CZ-CG 3.31Å; F243-Y380 HydrophobicContact CZ-CG 3.31Å
244	V	98.1	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-43.8	177.9	174.3	0	0	0	0	111.3	I240 V241 K246 I247 I248 V260 L318 W333 I342	I240-V244 HydrophobicContact CG2-CG2 4.44Å; I240-V244 WeakPolarHBondContact O-CG2 3.18Å; I240-V244 PolarHBondContact O-N 3.19Å; V241-V244 PolarHBondContact O-N 2.85Å; V244-K246 VanDerWaalsContact C-N 3.26Å; V244-K246 PolarHBondContact O-N 2.8Å; V244-I247 PolarHBondContact O-N 3.44Å; V244-I247 VanDerWaalsContact O-N 3.09Å; V244-I248 HydrophobicContact CG1-CD1 4.25Å; V244-I248 WeakPolarHBondContact O-CG1 3.45Å; V244-I248 PolarHBondContact O-N 2.93Å; V244-V260 HydrophobicContact CG1-CB 4.03Å; V244-V260 HydrophobicContact CG1-CG1 3.64Å; V244-V260 HydrophobicContact CG1-CG2 4.26Å; V244-L318 HydrophobicContact CG1-CB 4.09Å; V244-L318 HydrophobicContact CG1-CD1 4.14Å; V244-L318 HydrophobicContact CG2-CB 3.82Å; V244-L318 HydrophobicContact CG2-CD1 4.4Å; V244-W333 HydrophobicContact CB-CH2 3.62Å; V244-W333 HydrophobicContact CB-CZ2 4.34Å; V244-W333 HydrophobicContact CB-CZ3 4.25Å; V244-W333 HydrophobicContact CG1-CH2 3.4Å; V244-W333 VanDerWaalsContact CG1-CH2 3.4Å; V244-W333 HydrophobicContact CG1-CZ2 3.78Å; V244-W333 HydrophobicContact CG1-CZ3 3.97Å; V244-I342 HydrophobicContact CG2-CD1 4.4Å; V244-I342 HydrophobicContact CG2-CG1 3.92Å
245	E	97.7	Very high	97.2	Very high	74 Å²	74	47.9 Å²	47.9	35%	0.346	25%	0.252	S	S	.	.	H	α-helix	trans	-54	-43.3	174.9	-74.8	-175.5	135.9	0	0	112	V241 I248 Q249 P332 W333	V241-E245 WeakPolarHBondContact O-CG 3.35Å; V241-E245 PolarHBondContact O-N 3.47Å; E245-I248 WeakPolarHBondContact O-CB 3.47Å; E245-I248 PolarHBondContact O-N 2.67Å; E245-Q249 VanDerWaalsContact O-CG 3.28Å; E245-Q249 WeakPolarHBondContact O-CG 3.23Å; E245-Q249 PolarHBondContact O-N 3.47Å; E245-P332 HydrophobicContact CG-CG 4.24Å; E245-P332 WeakPolarHBondContact OE1-CG 3.31Å; E245-W333 HydrophobicContact CB-CZ2 4.46Å; E245-W333 HydrophobicContact CG-CH2 3.89Å; E245-W333 HydrophobicContact CG-CZ2 3.62Å
246	K	97.3	Very high	97	Very high	69 Å²	69	44.5 Å²	44.5	30%	0.3	24%	0.24	S	C	.	.	H	α-helix	trans	-67.8	-36.2	178.8	-162	-173.9	-168.1	178.7	0	112.8	A242 F243 V244 I248 Q249 K250 Y380	A242-K246 PolarHBondContact O-N 3.42Å; F243-K246 PolarHBondContact O-N 3.25Å; V244-K246 VanDerWaalsContact C-N 3.26Å; V244-K246 PolarHBondContact O-N 2.8Å; K246-I248 VanDerWaalsContact C-N 3.33Å; K246-Q249 PolarHBondContact O-N 3.42Å; K246-K250 WeakPolarHBondContact O-CG 3.48Å; K246-K250 PolarHBondContact O-N 2.97Å; K246-Y380 HydrophobicContact CB-CD2 3.81Å; K246-Y380 HydrophobicContact CB-CE2 3.67Å; K246-Y380 HydrophobicContact CD-CD1 4.43Å; K246-Y380 HydrophobicContact CD-CD2 3.47Å; K246-Y380 VanDerWaalsContact CD-CD2 3.47Å; K246-Y380 HydrophobicContact CD-CE1 4.15Å; K246-Y380 HydrophobicContact CD-CE2 3.08Å; K246-Y380 HydrophobicContact CD-CG 4.12Å; K246-Y380 VanDerWaalsContact CD-CZ 3.47Å; K246-Y380 HydrophobicContact CG-CD2 4.15Å; K246-Y380 HydrophobicContact CG-CE2 4Å; K246-Y380 PolarHBondContact NZ-OH 2.84Å
247	I	97.6	Very high	96.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-41	174.3	-64.5	175.3	0	0	0	110.1	F243 V244 K250 G251 F252 A253 F262 L318 I342 Q376	F243-I247 HydrophobicContact CD1-CD1 3.73Å; F243-I247 HydrophobicContact CD1-CG1 4.22Å; F243-I247 HydrophobicContact CE1-CD1 3.85Å; F243-I247 HydrophobicContact CE1-CG1 4.42Å; F243-I247 WeakPolarHBondContact O-CG1 3.3Å; F243-I247 PolarHBondContact O-N 3.4Å; V244-I247 PolarHBondContact O-N 3.44Å; V244-I247 VanDerWaalsContact O-N 3.09Å; I247-K250 PolarHBondContact O-N 2.82Å; I247-G251 PolarHBondContact O-N 3.14Å; I247-F252 HydrophobicContact CG2-CB 3.73Å; I247-F252 PolarHBondContact O-N 2.86Å; I247-F252 VanDerWaalsContact O-N 3.09Å; I247-A253 HydrophobicContact CB-CB 4.34Å; I247-A253 HydrophobicContact CG2-CB 3.61Å; I247-F262 HydrophobicContact CG2-CD2 4.04Å; I247-F262 HydrophobicContact CG2-CE2 4.05Å; I247-L318 HydrophobicContact CD1-CD1 4.24Å; I247-L318 HydrophobicContact CG2-CD1 4.15Å; I247-I342 HydrophobicContact CD1-CD1 4.26Å; I247-Q376 HydrophobicContact CD1-CB 4.42Å
248	I	97.3	Very high	96.3	Very high	50 Å²	50	48.9 Å²	48.9	26%	0.256	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-48.6	173.6	-63.7	172.1	0	0	0	110.3	V244 E245 K246 K250 G251 A253 V260 W333	V244-I248 HydrophobicContact CG1-CD1 4.25Å; V244-I248 WeakPolarHBondContact O-CG1 3.45Å; V244-I248 PolarHBondContact O-N 2.93Å; E245-I248 WeakPolarHBondContact O-CB 3.47Å; E245-I248 PolarHBondContact O-N 2.67Å; K246-I248 VanDerWaalsContact C-N 3.33Å; I248-K250 PolarHBondContact O-N 2.87Å; I248-G251 PolarHBondContact O-N 2.68Å; I248-A253 HydrophobicContact CG1-CB 3.69Å; I248-V260 HydrophobicContact CD1-CG1 3.8Å; I248-V260 HydrophobicContact CD1-CG2 4.22Å; I248-V260 HydrophobicContact CG1-CG1 4Å; I248-W333 HydrophobicContact CD1-CZ2 3.52Å
249	Q	96.6	Very high	96.1	Very high	155 Å²	155	44.6 Å²	44.6	72%	0.724	24%	0.241	S	C	*	.	H	α-helix	trans	-58.1	-32.3	178.7	-72.4	168.7	16	0	0	112.8	E245 K246 G251	E245-Q249 VanDerWaalsContact O-CG 3.28Å; E245-Q249 WeakPolarHBondContact O-CG 3.23Å; E245-Q249 PolarHBondContact O-N 3.47Å; K246-Q249 PolarHBondContact O-N 3.42Å; Q249-G251 VanDerWaalsContact C-N 3.29Å
250	K	95.8	Very high	96.1	Very high	80 Å²	80	40.3 Å²	40.3	35%	0.348	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.1	175.6	-74.9	-175.2	160	-169.6	0	114.5	K246 I247 I248 F252 A379 Y380 Y381 G382	K246-K250 WeakPolarHBondContact O-CG 3.48Å; K246-K250 PolarHBondContact O-N 2.97Å; I247-K250 PolarHBondContact O-N 2.82Å; I248-K250 PolarHBondContact O-N 2.87Å; K250-F252 HydrophobicContact CB-CD2 3.71Å; K250-F252 HydrophobicContact CB-CE2 4.01Å; K250-A379 WeakPolarHBondContact CD-O 3.44Å; K250-A379 PolarHBondContact NZ-O 3.44Å; K250-Y380 WeakPolarHBondContact CE-O 3.32Å; K250-Y380 VanDerWaalsContact NZ-C 3.27Å; K250-Y380 PolarHBondContact NZ-O 3.49Å; K250-Y381 VanDerWaalsContact NZ-C 3.27Å; K250-G382 VanDerWaalsContact NZ-N 3.15Å
251	G	95.8	Very high	96	Very high	46 Å²	46	40.8 Å²	40.8	47%	0.474	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	17.8	178.7	0	0	0	0	0	114.6	I247 I248 Q249	I247-G251 PolarHBondContact O-N 3.14Å; I248-G251 PolarHBondContact O-N 2.68Å; Q249-G251 VanDerWaalsContact C-N 3.29Å
252	F	96.9	Very high	95.9	Very high	23 Å²	23	40 Å²	40	10%	0.101	22%	0.218	C	C	.	.	S	Bend	trans	-104.7	4.1	180	-60.5	-52.7	0	0	0	113.7	I247 K250 F262 D263 A266 F267 A270 A379	I247-F252 HydrophobicContact CG2-CB 3.73Å; I247-F252 PolarHBondContact O-N 2.86Å; I247-F252 VanDerWaalsContact O-N 3.09Å; K250-F252 HydrophobicContact CB-CD2 3.71Å; K250-F252 HydrophobicContact CB-CE2 4.01Å; F252-F262 HydrophobicContact CB-CE2 4.33Å; F252-F262 HydrophobicContact CB-CZ 4.45Å; F252-D263 PolarHBondContact O-N 2.68Å; F252-A266 HydrophobicContact CD1-CB 4.41Å; F252-F267 HydrophobicContact CD1-CB 4.05Å; F252-F267 HydrophobicContact CD1-CD2 4.21Å; F252-F267 HydrophobicContact CE1-CB 4.48Å; F252-F267 HydrophobicContact CE1-CD2 4.32Å; F252-F267 HydrophobicContact CG-CD2 4.4Å; F252-A270 HydrophobicContact CE1-CB 3.62Å; F252-A270 HydrophobicContact CZ-CB 3.72Å; F252-A379 HydrophobicContact CB-CB 4.15Å; F252-A379 HydrophobicContact CD2-CB 3.59Å; F252-A379 HydrophobicContact CE2-CB 4.26Å; F252-A379 HydrophobicContact CG-CB 4.07Å
253	A	97.5	Very high	95.9	Very high	9 Å²	9	38.2 Å²	38.2	7%	0.074	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.6	174.5	0	0	0	0	0	111	I247 I248 V260 Y261 L318	I247-A253 HydrophobicContact CB-CB 4.34Å; I247-A253 HydrophobicContact CG2-CB 3.61Å; I248-A253 HydrophobicContact CG1-CB 3.69Å; A253-V260 HydrophobicContact CB-CG1 4Å; A253-Y261 CarbonylContact C-O 3.47Å; A253-Y261 WeakPolarHBondContact CA-O 3.16Å; A253-Y261 WeakPolarHBondContact CB-O 3.45Å; A253-L318 HydrophobicContact CB-CD1 3.65Å
254	Y	97	Very high	95.7	Very high	14 Å²	14	38.1 Å²	38.1	6%	0.055	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.9	177.1	58.1	-88.9	0	0	0	110.9	V260 Y261 D263 R311 D315	Y254-V260 WeakPolarHBondContact O-CA 3.37Å; Y254-Y261 AromaticContact CE2-CD2 3.99Å; Y254-Y261 HydrophobicContact CE2-CD2 3.99Å; Y254-Y261 HydrophobicContact CE2-CG 4.29Å; Y254-Y261 PolarHBondContact N-O 3.09Å; Y254-Y261 PolarHBondContact O-N 2.63Å; Y254-D263 HydrophobicContact CD1-CB 3.87Å; Y254-D263 HydrophobicContact CE1-CB 3.85Å; Y254-R311 HydrophobicContact CD2-CG 4.47Å; Y254-R311 HydrophobicContact CE1-CB 4.3Å; Y254-R311 HydrophobicContact CE1-CG 4.05Å; Y254-R311 HydrophobicContact CE2-CG 3.88Å; Y254-R311 PolarHBondContact OH-N 3.36Å; Y254-D315 PolarHBondContact OH-OD2 2.86Å
255	E	95.7	Very high	95.4	Very high	96 Å²	96	40.2 Å²	40.2	45%	0.449	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	143.5	173.1	-176.7	-79.6	145.6	0	0	110.1	N257 G258 S259 V260 W333	E255-N257 PolarHBondContact OE1-N 3.02Å; E255-G258 PolarHBondContact OE1-N 3.35Å; E255-S259 CarbonylContact C-O 3.59Å; E255-S259 WeakPolarHBondContact CA-O 3.33Å; E255-V260 HydrophobicContact CB-CG2 4.44Å; E255-W333 HydrophobicContact CG-CB 4.22Å; E255-W333 HydrophobicContact CG-CG 4.24Å
256	A	92.8	Very high	95.2	Very high	18 Å²	18	38.1 Å²	38.1	15%	0.149	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	120.1	169.5	0	0	0	0	0	109.6	G258 S259 Y261 E309	A256-G258 VanDerWaalsContact C-N 3.3Å; A256-G258 PolarHBondContact O-N 2.96Å; A256-S259 PolarHBondContact N-O 2.79Å; A256-S259 PolarHBondContact O-N 3.45Å; A256-Y261 HydrophobicContact CB-CD2 4.27Å; A256-Y261 HydrophobicContact CB-CE2 4.1Å; A256-E309 HydrophobicContact CB-CB 4.11Å
257	N	89.4	Confident	95.1	Very high	122 Å²	122	34.8 Å²	34.8	65%	0.652	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	41	176.6	-60.3	-25.8	0	0	0	114.6	E255 S259 E309	E255-N257 PolarHBondContact OE1-N 3.02Å; N257-S259 PolarHBondContact O-N 2.76Å; N257-E309 WeakPolarHBondContact CB-OE1 3.47Å; N257-E309 PolarHBondContact ND2-OE1 3.33Å
258	G	90.9	Very high	94.8	Very high	14 Å²	14	36.7 Å²	36.7	14%	0.144	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-0.8	-178.5	0	0	0	0	0	114.8	E255 A256 W333	E255-G258 PolarHBondContact OE1-N 3.35Å; A256-G258 VanDerWaalsContact C-N 3.3Å; A256-G258 PolarHBondContact O-N 2.96Å; G258-W333 VanDerWaalsContact CA-O 3.24Å; G258-W333 WeakPolarHBondContact CA-O 2.91Å
259	S	93.2	Very high	94.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	155.7	169.7	-56.7	0	0	0	0	110	E255 A256 N257 W319 A321	E255-S259 CarbonylContact C-O 3.59Å; E255-S259 WeakPolarHBondContact CA-O 3.33Å; A256-S259 PolarHBondContact N-O 2.79Å; A256-S259 PolarHBondContact O-N 3.45Å; N257-S259 PolarHBondContact O-N 2.76Å; S259-W319 CarbonylContact C-O 3.55Å; S259-W319 VanDerWaalsContact CA-O 3.32Å; S259-W319 WeakPolarHBondContact CA-O 3.29Å; S259-W319 WeakPolarHBondContact CB-O 3.24Å; S259-A321 PolarHBondContact OG-N 3.09Å
260	V	96.4	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.2	175.3	-176.4	0	0	0	0	109	V244 I248 A253 Y254 E255 L318 W319 W333	V244-V260 HydrophobicContact CG1-CB 4.03Å; V244-V260 HydrophobicContact CG1-CG1 3.64Å; V244-V260 HydrophobicContact CG1-CG2 4.26Å; I248-V260 HydrophobicContact CD1-CG1 3.8Å; I248-V260 HydrophobicContact CD1-CG2 4.22Å; I248-V260 HydrophobicContact CG1-CG1 4Å; A253-V260 HydrophobicContact CB-CG1 4Å; Y254-V260 WeakPolarHBondContact O-CA 3.37Å; E255-V260 HydrophobicContact CB-CG2 4.44Å; V260-L318 HydrophobicContact CB-CB 4.44Å; V260-L318 HydrophobicContact CG1-CB 4.35Å; V260-L318 HydrophobicContact CG1-CD1 4.25Å; V260-L318 PolarHBondContact O-N 3.38Å; V260-W319 HydrophobicContact CB-CB 3.92Å; V260-W319 HydrophobicContact CG2-CB 4.03Å; V260-W319 PolarHBondContact N-O 3.26Å; V260-W319 PolarHBondContact O-N 3.22Å; V260-W319 VanDerWaalsContact O-N 3.15Å; V260-W333 HydrophobicContact CG2-CB 4.37Å; V260-W333 HydrophobicContact CG2-CD2 3.4Å; V260-W333 VanDerWaalsContact CG2-CD2 3.4Å; V260-W333 HydrophobicContact CG2-CE3 3.76Å; V260-W333 HydrophobicContact CG2-CG 3.66Å; V260-W333 HydrophobicContact CG2-CZ2 4.27Å; V260-W333 HydrophobicContact CG2-CZ3 4.34Å
261	Y	96	Very high	94	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.1	-179.4	-60.3	-81.1	0	0	0	111	A253 Y254 A256 E309 K310 F316 A317	A253-Y261 CarbonylContact C-O 3.47Å; A253-Y261 WeakPolarHBondContact CA-O 3.16Å; A253-Y261 WeakPolarHBondContact CB-O 3.45Å; Y254-Y261 AromaticContact CE2-CD2 3.99Å; Y254-Y261 HydrophobicContact CE2-CD2 3.99Å; Y254-Y261 HydrophobicContact CE2-CG 4.29Å; Y254-Y261 PolarHBondContact N-O 3.09Å; Y254-Y261 PolarHBondContact O-N 2.63Å; A256-Y261 HydrophobicContact CB-CD2 4.27Å; A256-Y261 HydrophobicContact CB-CE2 4.1Å; Y261-E309 HydrophobicContact CE2-CB 3.94Å; Y261-E309 PolarHBondContact OH-OE2 3.05Å; Y261-K310 HydrophobicContact CD1-CD 4.4Å; Y261-K310 HydrophobicContact CD1-CG 3.92Å; Y261-K310 HydrophobicContact CE1-CD 4.33Å; Y261-K310 VanDerWaalsContact CE1-CE 3.46Å; Y261-K310 HydrophobicContact CE1-CG 3.87Å; Y261-K310 HydrophobicContact CG-CG 4.35Å; Y261-F316 WeakPolarHBondContact CA-O 3.47Å; Y261-A317 HydrophobicContact CD1-CB 4.14Å; Y261-A317 HydrophobicContact CE1-CB 4.08Å
262	F	97.2	Very high	93.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.4	172.3	-169.9	-85	0	0	0	109.9	I247 F252 T264 F267 D315 F316 L318 A375 Q376 A379	I247-F262 HydrophobicContact CG2-CD2 4.04Å; I247-F262 HydrophobicContact CG2-CE2 4.05Å; F252-F262 HydrophobicContact CB-CE2 4.33Å; F252-F262 HydrophobicContact CB-CZ 4.45Å; F262-T264 HydrophobicContact CD1-CG2 3.96Å; F262-T264 HydrophobicContact CE1-CG2 4.44Å; F262-T264 PolarHBondContact O-N 3.38Å; F262-F267 HydrophobicContact CE1-CB 3.62Å; F262-F267 HydrophobicContact CE1-CD1 4.29Å; F262-F267 HydrophobicContact CE1-CD2 4.42Å; F262-F267 AromaticContact CE1-CG 3.88Å; F262-F267 HydrophobicContact CE1-CG 3.88Å; F262-F267 HydrophobicContact CZ-CB 3.84Å; F262-F267 HydrophobicContact CZ-CD1 4.34Å; F262-F267 AromaticContact CZ-CD2 3.82Å; F262-F267 HydrophobicContact CZ-CD2 3.82Å; F262-F267 HydrophobicContact CZ-CE2 4.45Å; F262-F267 AromaticContact CZ-CG 3.74Å; F262-F267 HydrophobicContact CZ-CG 3.74Å; F262-D315 WeakPolarHBondContact O-CA 3.23Å; F262-D315 WeakPolarHBondContact O-CB 3.27Å; F262-D315 VanDerWaalsContact O-CG 3.22Å; F262-F316 HydrophobicContact CB-CD1 4.35Å; F262-F316 HydrophobicContact CB-CD2 3.98Å; F262-F316 HydrophobicContact CB-CE1 3.98Å; F262-F316 HydrophobicContact CB-CE2 3.57Å; F262-F316 HydrophobicContact CB-CG 4.35Å; F262-F316 HydrophobicContact CB-CZ 3.58Å; F262-F316 AromaticContact CD1-CE1 3.71Å; F262-F316 HydrophobicContact CD1-CE1 3.71Å; F262-F316 HydrophobicContact CD1-CE2 4.43Å; F262-F316 AromaticContact CD1-CZ 3.59Å; F262-F316 HydrophobicContact CD1-CZ 3.59Å; F262-F316 HydrophobicContact CD2-CE2 4.37Å; F262-F316 HydrophobicContact CD2-CZ 4.09Å; F262-F316 HydrophobicContact CE1-CE1 4.47Å; F262-F316 HydrophobicContact CE1-CZ 4.28Å; F262-F316 AromaticContact CG-CE1 3.99Å; F262-F316 HydrophobicContact CG-CE1 3.99Å; F262-F316 AromaticContact CG-CE2 3.9Å; F262-F316 HydrophobicContact CG-CE2 3.9Å; F262-F316 AromaticContact CG-CZ 3.47Å; F262-F316 HydrophobicContact CG-CZ 3.47Å; F262-F316 VanDerWaalsContact CG-CZ 3.47Å; F262-F316 PolarHBondContact N-O 2.85Å; F262-L318 HydrophobicContact CB-CD1 4.24Å; F262-L318 HydrophobicContact CB-CD2 3.97Å; F262-L318 HydrophobicContact CB-CG 4.02Å; F262-L318 HydrophobicContact CD2-CD1 4.25Å; F262-L318 HydrophobicContact CD2-CD2 4.22Å; F262-A375 HydrophobicContact CE1-CB 3.96Å; F262-A375 HydrophobicContact CZ-CB 3.81Å; F262-Q376 HydrophobicContact CD2-CG 4.28Å; F262-Q376 HydrophobicContact CE2-CG 4.46Å; F262-A379 HydrophobicContact CE2-CB 3.85Å; F262-A379 HydrophobicContact CZ-CB 4.06Å
263	D	96.1	Very high	93.1	Very high	14 Å²	14	42.9 Å²	42.9	8%	0.075	25%	0.245	C	C	.	.			trans	-86.7	92.4	179.2	-164.8	-36.4	0	0	0	110	F252 Y254 V265 A266 F267 R311	F252-D263 PolarHBondContact O-N 2.68Å; Y254-D263 HydrophobicContact CD1-CB 3.87Å; Y254-D263 HydrophobicContact CE1-CB 3.85Å; D263-V265 PolarHBondContact O-N 3.39Å; D263-V265 PolarHBondContact OD1-N 3.21Å; D263-A266 HydrophobicContact CB-CB 3.81Å; D263-A266 VanDerWaalsContact CG-CB 3.49Å; D263-A266 PolarHBondContact O-N 3.36Å; D263-A266 PolarHBondContact OD1-N 3.45Å; D263-F267 PolarHBondContact O-N 3.28Å; D263-R311 IonicContact OD2-NH1 3.22Å; D263-R311 PolarHBondContact OD2-NH1 3.29Å
264	T	93.6	Very high	92.8	Very high	6 Å²	6	50 Å²	50	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-28.8	-177.7	51.4	0	0	0	0	112.8	F262 G268 Y275 S314 D315 F316	F262-T264 HydrophobicContact CD1-CG2 3.96Å; F262-T264 HydrophobicContact CE1-CG2 4.44Å; F262-T264 PolarHBondContact O-N 3.38Å; T264-G268 PolarHBondContact O-N 3.04Å; T264-Y275 HydrophobicContact CG2-CD1 4.18Å; T264-Y275 HydrophobicContact CG2-CD2 4.14Å; T264-Y275 HydrophobicContact CG2-CE1 4.02Å; T264-Y275 HydrophobicContact CG2-CE2 4Å; T264-Y275 HydrophobicContact CG2-CG 4.25Å; T264-S314 VanDerWaalsContact CG2-O 3.24Å; T264-S314 WeakPolarHBondContact CG2-O 3.44Å; T264-S314 VanDerWaalsContact OG1-CB 3.29Å; T264-S314 WeakPolarHBondContact OG1-CB 3.4Å; T264-S314 PolarHBondContact OG1-OG 3.38Å; T264-D315 PolarHBondContact N-OD1 3.37Å; T264-D315 PolarHBondContact OG1-OD1 3.29Å; T264-F316 HydrophobicContact CG2-CD1 4.07Å; T264-F316 HydrophobicContact CG2-CE1 3.8Å
265	V	92.7	Very high	92.5	Very high	44 Å²	44	50.5 Å²	50.5	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-76.4	-44	178.7	176.1	0	0	0	0	110.7	D263 F267 G268 R269 N312	D263-V265 PolarHBondContact O-N 3.39Å; D263-V265 PolarHBondContact OD1-N 3.21Å; V265-F267 VanDerWaalsContact C-N 3.32Å; V265-F267 PolarHBondContact O-N 3.26Å; V265-G268 PolarHBondContact O-N 3.05Å; V265-R269 WeakPolarHBondContact O-CB 3.26Å; V265-R269 VanDerWaalsContact O-CG 3.29Å; V265-R269 WeakPolarHBondContact O-CG 3.24Å; V265-R269 PolarHBondContact O-N 3.36Å; V265-N312 HydrophobicContact CG2-CB 4.28Å
266	A	94.4	Very high	92.2	Very high	29 Å²	29	46 Å²	46	24%	0.24	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-44	174	0	0	0	0	0	111.1	F252 D263 R269 A270	F252-A266 HydrophobicContact CD1-CB 4.41Å; D263-A266 HydrophobicContact CB-CB 3.81Å; D263-A266 VanDerWaalsContact CG-CB 3.49Å; D263-A266 PolarHBondContact O-N 3.36Å; D263-A266 PolarHBondContact OD1-N 3.45Å; A266-R269 PolarHBondContact O-N 3.26Å; A266-A270 PolarHBondContact O-N 3.22Å
267	F	95	Very high	92.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-48.2	175.6	-176.9	-106.2	0	0	0	112.2	F252 F262 D263 V265 R269 A270 H273 A375 E378 A379	F252-F267 HydrophobicContact CD1-CB 4.05Å; F252-F267 HydrophobicContact CD1-CD2 4.21Å; F252-F267 HydrophobicContact CE1-CB 4.48Å; F252-F267 HydrophobicContact CE1-CD2 4.32Å; F252-F267 HydrophobicContact CG-CD2 4.4Å; F262-F267 HydrophobicContact CE1-CB 3.62Å; F262-F267 HydrophobicContact CE1-CD1 4.29Å; F262-F267 HydrophobicContact CE1-CD2 4.42Å; F262-F267 AromaticContact CE1-CG 3.88Å; F262-F267 HydrophobicContact CE1-CG 3.88Å; F262-F267 HydrophobicContact CZ-CB 3.84Å; F262-F267 HydrophobicContact CZ-CD1 4.34Å; F262-F267 AromaticContact CZ-CD2 3.82Å; F262-F267 HydrophobicContact CZ-CD2 3.82Å; F262-F267 HydrophobicContact CZ-CE2 4.45Å; F262-F267 AromaticContact CZ-CG 3.74Å; F262-F267 HydrophobicContact CZ-CG 3.74Å; D263-F267 PolarHBondContact O-N 3.28Å; V265-F267 VanDerWaalsContact C-N 3.32Å; V265-F267 PolarHBondContact O-N 3.26Å; F267-R269 PolarHBondContact O-N 3.36Å; F267-A270 PolarHBondContact O-N 3.07Å; F267-H273 HydrophobicContact CD1-CB 4.22Å; F267-H273 HydrophobicContact CD2-CB 3.89Å; F267-H273 AromaticContact CD2-CG 3.89Å; F267-H273 HydrophobicContact CE1-CB 3.95Å; F267-H273 HydrophobicContact CE2-CB 3.6Å; F267-H273 AromaticContact CE2-CE1 3.92Å; F267-H273 AromaticContact CE2-CG 3.36Å; F267-H273 AromaticContact CE2-ND1 3.27Å; F267-H273 VanDerWaalsContact CE2-ND1 3.27Å; F267-H273 WeakPolarHBondContact CE2-ND1 3.16Å; F267-H273 HydrophobicContact CG-CB 4.2Å; F267-H273 HydrophobicContact CZ-CB 3.63Å; F267-H273 AromaticContact CZ-CG 3.73Å; F267-H273 AromaticContact CZ-ND1 3.5Å; F267-H273 WeakPolarHBondContact CZ-ND1 3.14Å; F267-H273 WeakPolarHBondContact O-CB 3.49Å; F267-A375 HydrophobicContact CD1-CB 4.14Å; F267-A375 HydrophobicContact CE1-CB 3.81Å; F267-A375 WeakPolarHBondContact CE2-O 3.27Å; F267-A375 HydrophobicContact CZ-CB 4.17Å; F267-E378 HydrophobicContact CE2-CB 4.2Å; F267-E378 HydrophobicContact CZ-CB 3.94Å; F267-A379 HydrophobicContact CD2-CB 3.96Å; F267-A379 HydrophobicContact CE2-CB 3.89Å
268	G	91.4	Very high	92.2	Very high	40 Å²	40	41.5 Å²	41.5	41%	0.412	22%	0.223	S	C	.	.	H	α-helix	trans	-66.8	-19.7	179.1	0	0	0	0	0	115	T264 V265	T264-G268 PolarHBondContact O-N 3.04Å; V265-G268 PolarHBondContact O-N 3.05Å
269	R	91.7	Very high	92.2	Very high	205 Å²	205	42.3 Å²	42.3	77%	0.774	23%	0.225	S	C	*	.	H	α-helix	trans	-86.2	-20.4	175.3	-74.2	175.4	-176.9	175.7	4.4	113.3	V265 A266 F267	V265-R269 WeakPolarHBondContact O-CB 3.26Å; V265-R269 VanDerWaalsContact O-CG 3.29Å; V265-R269 WeakPolarHBondContact O-CG 3.24Å; V265-R269 PolarHBondContact O-N 3.36Å; A266-R269 PolarHBondContact O-N 3.26Å; F267-R269 PolarHBondContact O-N 3.36Å
270	A	91.8	Very high	91.9	Very high	29 Å²	29	45 Å²	45	24%	0.24	24%	0.242	C	C	.	.	S	Bend	trans	-73.1	141.9	-179.8	0	0	0	0	0	111.7	F252 A266 F267 G272 H273	F252-A270 HydrophobicContact CE1-CB 3.62Å; F252-A270 HydrophobicContact CZ-CB 3.72Å; A266-A270 PolarHBondContact O-N 3.22Å; F267-A270 PolarHBondContact O-N 3.07Å; A270-G272 PolarHBondContact O-N 3.32Å; A270-H273 HydrophobicContact CB-CB 4.43Å; A270-H273 PolarHBondContact O-N 2.64Å
271	I	88.2	Confident	91.4	Very high	175 Å²	175	47.3 Å²	47.3	90%	0.897	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	127.6	-178.5	-60.8	170	0	0	0	109.2	H273	I271-H273 VanDerWaalsContact C-N 3.34Å
272	G	84.5	Confident	90.8	Very high	50 Å²	50	47.3 Å²	47.3	52%	0.515	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-7.6	178.7	0	0	0	0	0	115.1	A270	A270-G272 PolarHBondContact O-N 3.32Å
273	H	90.1	Very high	90.1	Very high	25 Å²	25	49.4 Å²	49.4	12%	0.116	28%	0.28	C	S	.	.			trans	-106.5	144.3	-178.8	-67.4	-56.2	0	0	0	111.9	F267 A270 I271 E378 I383	F267-H273 HydrophobicContact CD1-CB 4.22Å; F267-H273 HydrophobicContact CD2-CB 3.89Å; F267-H273 AromaticContact CD2-CG 3.89Å; F267-H273 HydrophobicContact CE1-CB 3.95Å; F267-H273 HydrophobicContact CE2-CB 3.6Å; F267-H273 AromaticContact CE2-CE1 3.92Å; F267-H273 AromaticContact CE2-CG 3.36Å; F267-H273 AromaticContact CE2-ND1 3.27Å; F267-H273 VanDerWaalsContact CE2-ND1 3.27Å; F267-H273 WeakPolarHBondContact CE2-ND1 3.16Å; F267-H273 HydrophobicContact CG-CB 4.2Å; F267-H273 HydrophobicContact CZ-CB 3.63Å; F267-H273 AromaticContact CZ-CG 3.73Å; F267-H273 AromaticContact CZ-ND1 3.5Å; F267-H273 WeakPolarHBondContact CZ-ND1 3.14Å; F267-H273 WeakPolarHBondContact O-CB 3.49Å; A270-H273 HydrophobicContact CB-CB 4.43Å; A270-H273 PolarHBondContact O-N 2.64Å; I271-H273 VanDerWaalsContact C-N 3.34Å; H273-E378 PolarHBondContact CE1-O 3.48Å; H273-I383 PolarHBondContact CE1-O 3.42Å; H273-I383 VanDerWaalsContact CE1-O 3.24Å
274	R	90.5	Very high	89.4	Confident	157 Å²	157	53 Å²	53	59%	0.592	31%	0.311	S	S	*	.			trans	-148.6	125	177.7	-178.9	177.5	179.5	177.3	2.4	109	K277	R274-K277 HydrophobicContact CB-CG 4.26Å; R274-K277 HydrophobicContact CG-CG 4.44Å; R274-K277 WeakPolarHBondContact O-CE 3.09Å; R274-K277 WeakPolarHBondContact O-CG 3.37Å
275	Y	92	Very high	89	Confident	25 Å²	25	55.8 Å²	55.8	10%	0.098	33%	0.326	C	S	.	.	S	Bend	trans	-82.5	145.5	173.1	-173.6	-113.9	0	0	0	111.2	T264 V283 M293 F316 N372 A375	T264-Y275 HydrophobicContact CG2-CD1 4.18Å; T264-Y275 HydrophobicContact CG2-CD2 4.14Å; T264-Y275 HydrophobicContact CG2-CE1 4.02Å; T264-Y275 HydrophobicContact CG2-CE2 4Å; T264-Y275 HydrophobicContact CG2-CG 4.25Å; Y275-V283 HydrophobicContact CD1-CG1 4.15Å; Y275-V283 HydrophobicContact CD1-CG2 4.04Å; Y275-V283 HydrophobicContact CE1-CG1 4.46Å; Y275-V283 HydrophobicContact CE1-CG2 3.93Å; Y275-M293 WeakPolarHBondContact OH-CE 3.02Å; Y275-F316 AromaticContact CE2-CE1 3.83Å; Y275-F316 HydrophobicContact CE2-CE1 3.83Å; Y275-N372 VanDerWaalsContact CE2-OD1 3.31Å; Y275-N372 WeakPolarHBondContact CE2-OD1 3.37Å; Y275-N372 PolarHBondContact OH-OD1 3.45Å; Y275-A375 HydrophobicContact CD2-CB 3.9Å; Y275-A375 HydrophobicContact CE2-CB 4.25Å
276	G	89	Confident	88.5	Confident	1 Å²	1	57 Å²	57	1%	0.01	34%	0.341	C	S	.	.			trans	72.8	42.9	-179.4	0	0	0	0	0	114	P280 D371	G276-P280 VanDerWaalsContact O-CA 3.23Å; G276-P280 WeakPolarHBondContact O-CA 3.31Å; G276-P280 VanDerWaalsContact O-CD 3.31Å; G276-P280 WeakPolarHBondContact O-CD 3.34Å; G276-P280 VanDerWaalsContact O-CG 3.24Å; G276-P280 WeakPolarHBondContact O-CG 3.48Å; G276-P280 VanDerWaalsContact O-N 3.16Å; G276-D371 WeakPolarHBondContact CA-OD1 3.23Å
277	K	90.9	Very high	87.9	Confident	45 Å²	45	61.6 Å²	61.6	20%	0.196	36%	0.362	C	S	.	.	S	Bend	trans	-68.9	-36.1	178.3	-73.7	178.5	-179.9	175.3	0	111.9	L28 R274 D371 L374 E378 D384	L28-K277 HydrophobicContact CD1-CB 4.02Å; R274-K277 HydrophobicContact CB-CG 4.26Å; R274-K277 HydrophobicContact CG-CG 4.44Å; R274-K277 WeakPolarHBondContact O-CE 3.09Å; R274-K277 WeakPolarHBondContact O-CG 3.37Å; K277-D371 PolarHBondContact N-OD1 3.01Å; K277-L374 HydrophobicContact CB-CD1 4.44Å; K277-E378 IonicContact NZ-OE1 3.44Å; K277-E378 PolarHBondContact NZ-OE1 3.33Å; K277-E378 IonicContact NZ-OE2 2.65Å; K277-E378 PolarHBondContact NZ-OE2 2.92Å; K277-D384 PolarHBondContact NZ-O 3.36Å
278	L	90.7	Very high	87.1	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	38%	0.384	C	S	.	.	S	Bend	trans	-81.2	-40	-177.5	-75.6	166.3	0	0	0	112.4	L28 R30 R366 H370 D371 L374 F390	L28-L278 HydrophobicContact CB-CD2 4.11Å; L28-L278 HydrophobicContact CD1-CD2 3.97Å; L28-L278 HydrophobicContact CD1-CG 4.33Å; R30-L278 VanDerWaalsContact CZ-O 3.32Å; R30-L278 PolarHBondContact NH1-O 2.98Å; R30-L278 PolarHBondContact NH2-O 3.36Å; L278-R366 HydrophobicContact CB-CG 4.17Å; L278-H370 HydrophobicContact CD1-CB 3.5Å; L278-D371 WeakPolarHBondContact CB-OD2 3.44Å; L278-D371 PolarHBondContact N-OD1 3.43Å; L278-D371 PolarHBondContact N-OD2 3.02Å; L278-L374 HydrophobicContact CD1-CD1 3.67Å; L278-L374 HydrophobicContact CG-CD1 3.75Å; L278-F390 HydrophobicContact CD1-CD1 3.96Å; L278-F390 HydrophobicContact CD1-CD2 4.48Å; L278-F390 HydrophobicContact CD1-CE1 3.79Å; L278-F390 HydrophobicContact CD1-CE2 4.29Å; L278-F390 HydrophobicContact CD1-CG 4.3Å; L278-F390 HydrophobicContact CD1-CZ 3.97Å; L278-F390 HydrophobicContact CD2-CB 4.01Å; L278-F390 HydrophobicContact CD2-CD1 4.2Å; L278-F390 HydrophobicContact CD2-CD2 3.74Å; L278-F390 HydrophobicContact CD2-CE2 4.19Å; L278-F390 HydrophobicContact CD2-CG 3.72Å
279	V	90	Very high	86.8	Confident	31 Å²	31	65 Å²	65	19%	0.188	37%	0.369	C	S	.	.			trans	-131.7	71.2	177.6	-161.8	0	0	0	0	111.6	G281 A282 R366 F367 D371	V279-G281 PolarHBondContact O-N 3.45Å; V279-G281 VanDerWaalsContact O-N 3.09Å; V279-A282 HydrophobicContact CB-CB 4.08Å; V279-A282 HydrophobicContact CG1-CB 3.59Å; V279-A282 PolarHBondContact O-N 3.49Å; V279-R366 HydrophobicContact CG2-CB 4.37Å; V279-R366 HydrophobicContact CG2-CG 3.54Å; V279-F367 HydrophobicContact CB-CB 3.98Å; V279-F367 HydrophobicContact CB-CD2 4.36Å; V279-F367 HydrophobicContact CB-CG 4.31Å; V279-F367 HydrophobicContact CG2-CB 3.68Å; V279-D371 PolarHBondContact N-OD2 3.44Å
280	P	87.5	Confident	86.3	Confident	58 Å²	58	58.9 Å²	58.9	38%	0.377	35%	0.35	S	S	.	.	H	α-helix	trans	-55.1	-33.6	179.9	-22.9	28.4	0	0	0	114	G276 A282 V283 A284	G276-P280 VanDerWaalsContact O-CA 3.23Å; G276-P280 WeakPolarHBondContact O-CA 3.31Å; G276-P280 VanDerWaalsContact O-CD 3.31Å; G276-P280 WeakPolarHBondContact O-CD 3.34Å; G276-P280 VanDerWaalsContact O-CG 3.24Å; G276-P280 WeakPolarHBondContact O-CG 3.48Å; G276-P280 VanDerWaalsContact O-N 3.16Å; P280-A282 VanDerWaalsContact C-N 3.32Å; P280-A282 PolarHBondContact O-N 3.29Å; P280-V283 PolarHBondContact O-N 3.11Å; P280-A284 PolarHBondContact O-N 3.37Å
281	G	86.7	Confident	85.7	Confident	48 Å²	48	60.7 Å²	60.7	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-66.6	-29.9	178.8	0	0	0	0	0	113.9	V279 V283 A284 D285	V279-G281 PolarHBondContact O-N 3.45Å; V279-G281 VanDerWaalsContact O-N 3.09Å; G281-V283 VanDerWaalsContact C-N 3.34Å; G281-A284 PolarHBondContact O-N 2.98Å; G281-D285 PolarHBondContact O-N 3.17Å; G281-D285 VanDerWaalsContact O-N 3.16Å
282	A	82.7	Confident	85.3	Confident	9 Å²	9	52.9 Å²	52.9	7%	0.074	32%	0.322	C	S	.	.	H	α-helix	trans	-74.9	-26.6	178.2	0	0	0	0	0	112.2	V279 P280 L289 F367	V279-A282 HydrophobicContact CB-CB 4.08Å; V279-A282 HydrophobicContact CG1-CB 3.59Å; V279-A282 PolarHBondContact O-N 3.49Å; P280-A282 VanDerWaalsContact C-N 3.32Å; P280-A282 PolarHBondContact O-N 3.29Å; A282-L289 WeakPolarHBondContact O-CB 3.35Å; A282-L289 PolarHBondContact O-N 2.76Å; A282-F367 HydrophobicContact CB-CD1 3.55Å; A282-F367 HydrophobicContact CB-CD2 4.21Å; A282-F367 HydrophobicContact CB-CE1 3.53Å; A282-F367 HydrophobicContact CB-CE2 4.23Å; A282-F367 HydrophobicContact CB-CG 3.89Å; A282-F367 HydrophobicContact CB-CZ 3.89Å
283	V	83.5	Confident	85.2	Confident	45 Å²	45	50.7 Å²	50.7	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-77.8	-30.7	172.3	-178.4	0	0	0	0	111.5	Y275 P280 G281 F367	Y275-V283 HydrophobicContact CD1-CG1 4.15Å; Y275-V283 HydrophobicContact CD1-CG2 4.04Å; Y275-V283 HydrophobicContact CE1-CG1 4.46Å; Y275-V283 HydrophobicContact CE1-CG2 3.93Å; P280-V283 PolarHBondContact O-N 3.11Å; G281-V283 VanDerWaalsContact C-N 3.34Å; V283-F367 HydrophobicContact CG2-CE2 3.85Å; V283-F367 HydrophobicContact CG2-CZ 4.25Å
284	A	81.2	Confident	84.6	Confident	88 Å²	88	54.8 Å²	54.8	73%	0.727	31%	0.313	S	S	*	.	H	α-helix	trans	-75.9	-26.9	178.9	0	0	0	0	0	113.5	P280 G281	P280-A284 PolarHBondContact O-N 3.37Å; G281-A284 PolarHBondContact O-N 2.98Å
285	D	85	Confident	83.8	Confident	65 Å²	65	54.2 Å²	54.2	35%	0.348	32%	0.317	S	S	.	.			trans	-92.3	111	177.1	-176.5	-35.9	0	0	0	109.8	G281 D287 L288 L289	G281-D285 PolarHBondContact O-N 3.17Å; G281-D285 VanDerWaalsContact O-N 3.16Å; D285-D287 VanDerWaalsContact C-N 3.3Å; D285-D287 PolarHBondContact O-N 3.34Å; D285-D287 PolarHBondContact OD1-N 2.75Å; D285-L288 HydrophobicContact CB-CB 3.96Å; D285-L288 HydrophobicContact CB-CD1 3.9Å; D285-L288 HydrophobicContact CB-CG 4.09Å; D285-L288 PolarHBondContact O-N 2.98Å; D285-L288 PolarHBondContact OD1-N 3.46Å; D285-L288 WeakPolarHBondContact OD2-CD1 3.36Å; D285-L289 VanDerWaalsContact O-CB 3.25Å; D285-L289 WeakPolarHBondContact O-CB 3.37Å; D285-L289 PolarHBondContact O-N 3.2Å
286	A	82.1	Confident	82.9	Confident	70 Å²	70	53.3 Å²	53.3	58%	0.579	32%	0.316	S	S	*	.	H	α-helix	trans	-63.2	-34.5	-174.9	0	0	0	0	0	113.2	Q290	A286-Q290 VanDerWaalsContact O-CB 3.24Å; A286-Q290 WeakPolarHBondContact O-CB 3.43Å; A286-Q290 PolarHBondContact O-N 2.84Å
287	D	80.8	Confident	82.4	Confident	126 Å²	126	53.9 Å²	53.9	67%	0.674	32%	0.318	S	S	*	.	H	α-helix	trans	-74.8	-42.1	-178.8	-69.3	-21.8	0	0	0	110.3	D285 S291	D285-D287 VanDerWaalsContact C-N 3.3Å; D285-D287 PolarHBondContact O-N 3.34Å; D285-D287 PolarHBondContact OD1-N 2.75Å; D287-S291 VanDerWaalsContact O-CB 3.32Å; D287-S291 WeakPolarHBondContact O-CB 3.38Å; D287-S291 PolarHBondContact O-N 2.99Å; D287-S291 PolarHBondContact O-OG 3.22Å
288	L	79.9	Confident	81.5	Confident	90 Å²	90	52.4 Å²	52.4	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-65.4	-43	173.7	-69.3	179	0	0	0	111.7	D285 S291 A292	D285-L288 HydrophobicContact CB-CB 3.96Å; D285-L288 HydrophobicContact CB-CD1 3.9Å; D285-L288 HydrophobicContact CB-CG 4.09Å; D285-L288 PolarHBondContact O-N 2.98Å; D285-L288 PolarHBondContact OD1-N 3.46Å; D285-L288 WeakPolarHBondContact OD2-CD1 3.36Å; L288-S291 WeakPolarHBondContact CA-OG 2.99Å; L288-S291 PolarHBondContact O-OG 3.01Å; L288-A292 WeakPolarHBondContact O-CB 3.41Å; L288-A292 PolarHBondContact O-N 3.03Å
289	L	83.3	Confident	80.4	Confident	20 Å²	20	57.5 Å²	57.5	11%	0.105	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-51.6	175.2	178.4	62.2	0	0	0	110.5	A282 D285 S291 A292 M293 F367	A282-L289 WeakPolarHBondContact O-CB 3.35Å; A282-L289 PolarHBondContact O-N 2.76Å; D285-L289 VanDerWaalsContact O-CB 3.25Å; D285-L289 WeakPolarHBondContact O-CB 3.37Å; D285-L289 PolarHBondContact O-N 3.2Å; L289-S291 PolarHBondContact O-N 3.46Å; L289-A292 PolarHBondContact O-N 2.65Å; L289-M293 HydrophobicContact CD1-CE 3.6Å; L289-M293 HydrophobicContact CD1-CG 3.9Å; L289-M293 HydrophobicContact CG-CG 4.39Å; L289-M293 WeakPolarHBondContact O-CB 3.26Å; L289-M293 WeakPolarHBondContact O-CG 3.47Å; L289-M293 PolarHBondContact O-N 3.42Å; L289-F367 HydrophobicContact CD1-CZ 3.9Å
290	Q	82.1	Confident	79.3	Confident	77 Å²	77	57.4 Å²	57.4	36%	0.36	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-43.3	-177.5	-173	177.1	46.4	0	0	111.9	A286 R294 T313	A286-Q290 VanDerWaalsContact O-CB 3.24Å; A286-Q290 WeakPolarHBondContact O-CB 3.43Å; A286-Q290 PolarHBondContact O-N 2.84Å; Q290-R294 VanDerWaalsContact NE2-NH2 3.17Å; Q290-R294 WeakPolarHBondContact O-CB 3.4Å; Q290-R294 VanDerWaalsContact O-CG 3.28Å; Q290-R294 WeakPolarHBondContact O-CG 3.44Å; Q290-R294 PolarHBondContact O-N 3.31Å; Q290-T313 HydrophobicContact CB-CG2 4.27Å; Q290-T313 HydrophobicContact CG-CG2 4.12Å
291	S	79.1	Confident	78.1	Confident	67 Å²	67	55 Å²	55	47%	0.469	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-43.8	178.5	57.5	0	0	0	0	112.1	D287 L288 L289 R294 E295	D287-S291 VanDerWaalsContact O-CB 3.32Å; D287-S291 WeakPolarHBondContact O-CB 3.38Å; D287-S291 PolarHBondContact O-N 2.99Å; D287-S291 PolarHBondContact O-OG 3.22Å; L288-S291 WeakPolarHBondContact CA-OG 2.99Å; L288-S291 PolarHBondContact O-OG 3.01Å; L289-S291 PolarHBondContact O-N 3.46Å; S291-R294 PolarHBondContact O-N 3.23Å; S291-E295 PolarHBondContact O-N 3.38Å; S291-E295 VanDerWaalsContact O-N 3.07Å
292	A	79.5	Confident	76.8	Confident	11 Å²	11	56.3 Å²	56.3	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-42.8	177.2	0	0	0	0	0	112.7	L288 L289 E295 G296 F367 P368	L288-A292 WeakPolarHBondContact O-CB 3.41Å; L288-A292 PolarHBondContact O-N 3.03Å; L289-A292 PolarHBondContact O-N 2.65Å; A292-E295 PolarHBondContact O-N 3.35Å; A292-G296 PolarHBondContact O-N 3.44Å; A292-F367 HydrophobicContact CB-CD1 3.76Å; A292-F367 HydrophobicContact CB-CE1 3.35Å; A292-F367 HydrophobicContact CB-CZ 4.39Å; A292-P368 HydrophobicContact CB-CG 4.35Å
293	M	82.2	Confident	75.8	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-40.4	177.8	-68.2	-56.7	140.8	0	0	111.6	Y275 L289 E295 G296 E297 F316 F367 P368	Y275-M293 WeakPolarHBondContact OH-CE 3.02Å; L289-M293 HydrophobicContact CD1-CE 3.6Å; L289-M293 HydrophobicContact CD1-CG 3.9Å; L289-M293 HydrophobicContact CG-CG 4.39Å; L289-M293 WeakPolarHBondContact O-CB 3.26Å; L289-M293 WeakPolarHBondContact O-CG 3.47Å; L289-M293 PolarHBondContact O-N 3.42Å; M293-E295 VanDerWaalsContact C-N 3.31Å; M293-E295 PolarHBondContact O-N 3.35Å; M293-G296 PolarHBondContact O-N 2.76Å; M293-E297 WeakPolarHBondContact O-CG 3.49Å; M293-E297 PolarHBondContact O-N 3.14Å; M293-F316 HydrophobicContact SD-CB 4.45Å; M293-F367 HydrophobicContact CE-CE1 4.32Å; M293-F367 HydrophobicContact CE-CE2 4.06Å; M293-F367 HydrophobicContact CE-CZ 3.59Å; M293-P368 HydrophobicContact CE-CB 3.62Å; M293-P368 HydrophobicContact SD-CB 4.38Å
294	R	77.6	Confident	74.5	Confident	111 Å²	111	60 Å²	60	42%	0.419	34%	0.344	S	S	.	.	H	α-helix	trans	-61.1	-39.2	173	-75.2	180	-173.1	-160.2	8	112.4	Q290 S291	Q290-R294 VanDerWaalsContact NE2-NH2 3.17Å; Q290-R294 WeakPolarHBondContact O-CB 3.4Å; Q290-R294 VanDerWaalsContact O-CG 3.28Å; Q290-R294 WeakPolarHBondContact O-CG 3.44Å; Q290-R294 PolarHBondContact O-N 3.31Å; S291-R294 PolarHBondContact O-N 3.23Å
295	E	74.8	Confident	73.4	Confident	144 Å²	144	62 Å²	62	67%	0.673	34%	0.342	S	S	*	.	H	α-helix	trans	-66.4	-40.8	175.5	-173	170	-172.5	0	0	111.5	S291 A292 M293 E297 G298	S291-E295 PolarHBondContact O-N 3.38Å; S291-E295 VanDerWaalsContact O-N 3.07Å; A292-E295 PolarHBondContact O-N 3.35Å; M293-E295 VanDerWaalsContact C-N 3.31Å; M293-E295 PolarHBondContact O-N 3.35Å; E295-E297 VanDerWaalsContact C-N 3.34Å; E295-E297 PolarHBondContact O-N 2.92Å; E295-G298 PolarHBondContact O-N 2.95Å
296	G	73.3	Confident	72.5	Confident	7 Å²	7	60 Å²	60	7%	0.072	33%	0.33	C	S	.	.	H	α-helix	trans	-68.8	-26.4	177.4	0	0	0	0	0	114.8	A292 M293 G298	A292-G296 PolarHBondContact O-N 3.44Å; M293-G296 PolarHBondContact O-N 2.76Å; G296-G298 VanDerWaalsContact C-N 3.3Å; G296-G298 PolarHBondContact O-N 3.45Å
297	E	78.3	Confident	71.6	Confident	13 Å²	13	59.6 Å²	59.6	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-69.8	-24	176.2	-79.2	173.8	-138.4	0	0	113.9	M293 E295 S301 K310 K320	M293-E297 WeakPolarHBondContact O-CG 3.49Å; M293-E297 PolarHBondContact O-N 3.14Å; E295-E297 VanDerWaalsContact C-N 3.34Å; E295-E297 PolarHBondContact O-N 2.92Å; E297-S301 WeakPolarHBondContact O-CB 3.37Å; E297-S301 PolarHBondContact O-OG 3.35Å; E297-K310 VanDerWaalsContact CG-NZ 3.35Å; E297-K310 WeakPolarHBondContact OE1-CE 3.5Å; E297-K310 IonicContact OE1-NZ 3.52Å; E297-K310 PolarHBondContact OE1-NZ 2.93Å; E297-K310 IonicContact OE2-NZ 3.06Å; E297-K320 WeakPolarHBondContact O-CE 3.4Å; E297-K320 PolarHBondContact O-NZ 3.44Å
298	G	70.6	Confident	71.2	Confident	13 Å²	13	60.9 Å²	60.9	13%	0.134	32%	0.32	C	S	.	.			trans	79	153	-178	0	0	0	0	0	113.9	D93 E295 G296 L300 S301 I302	D93-G298 VanDerWaalsContact OD2-C 3.23Å; D93-G298 WeakPolarHBondContact OD2-CA 3.49Å; E295-G298 PolarHBondContact O-N 2.95Å; G296-G298 VanDerWaalsContact C-N 3.3Å; G296-G298 PolarHBondContact O-N 3.45Å; G298-L300 VanDerWaalsContact C-N 3.3Å; G298-L300 PolarHBondContact O-N 3.21Å; G298-S301 PolarHBondContact O-N 3.04Å; G298-I302 VanDerWaalsContact O-CG1 3.29Å; G298-I302 WeakPolarHBondContact O-CG1 3.41Å
299	E	68.1	Low	71.3	Confident	110 Å²	110	58.2 Å²	58.2	51%	0.514	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.2	-169.6	-67	-175.3	-174	0	0	114.5	K97 S301	K97-E299 IonicContact NZ-OE2 3.18Å; K97-E299 PolarHBondContact NZ-OE2 3.45Å; E299-S301 VanDerWaalsContact C-N 3.27Å; E299-S301 PolarHBondContact O-N 2.94Å
300	L	66.6	Low	71.4	Confident	29 Å²	29	58.4 Å²	58.4	15%	0.152	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-10.7	-175.2	-59.6	175.8	0	0	0	112.6	D93 I96 G298 K323	D93-L300 HydrophobicContact CB-CB 4.24Å; D93-L300 HydrophobicContact CB-CD1 3.95Å; D93-L300 HydrophobicContact CB-CG 3.9Å; D93-L300 WeakPolarHBondContact OD2-CB 3.46Å; D93-L300 PolarHBondContact OD2-N 3Å; D93-L300 VanDerWaalsContact OD2-N 3.08Å; I96-L300 HydrophobicContact CB-CD1 3.94Å; I96-L300 HydrophobicContact CD1-CD1 4.42Å; I96-L300 HydrophobicContact CG2-CD1 3.73Å; G298-L300 VanDerWaalsContact C-N 3.3Å; G298-L300 PolarHBondContact O-N 3.21Å; L300-K323 PolarHBondContact O-NZ 3.14Å
301	S	62.4	Low	71.8	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.042	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-7.9	-174.7	-57.9	0	0	0	0	114.5	E297 G298 E299 G303 R306	E297-S301 WeakPolarHBondContact O-CB 3.37Å; E297-S301 PolarHBondContact O-OG 3.35Å; G298-S301 PolarHBondContact O-N 3.04Å; E299-S301 VanDerWaalsContact C-N 3.27Å; E299-S301 PolarHBondContact O-N 2.94Å; S301-G303 PolarHBondContact O-N 3.43Å; S301-R306 WeakPolarHBondContact O-CB 3.42Å; S301-R306 PolarHBondContact OG-NH1 3.31Å
302	I	59.5	Low	72.3	Confident	76 Å²	76	61.9 Å²	61.9	39%	0.39	31%	0.308	S	S	.	.			trans	-77.3	28.8	-174.9	-43.3	175.2	0	0	0	112.9	G298 L307	G298-I302 VanDerWaalsContact O-CG1 3.29Å; G298-I302 WeakPolarHBondContact O-CG1 3.41Å; I302-L307 HydrophobicContact CG2-CD1 4.32Å
303	G	61.1	Low	72.5	Confident	27 Å²	27	65.3 Å²	65.3	28%	0.278	33%	0.328	S	S	.	.			trans	-67.3	139.4	172.7	0	0	0	0	0	110.4	S301 D305 R306 L307	S301-G303 PolarHBondContact O-N 3.43Å; G303-D305 PolarHBondContact O-N 3.48Å; G303-D305 VanDerWaalsContact O-N 3.12Å; G303-R306 PolarHBondContact O-N 3.2Å; G303-L307 PolarHBondContact O-N 2.97Å
304	V	56.5	Low	72.8	Confident	105 Å²	105	66 Å²	66	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-51.4	-37.3	175.5	-179.2	0	0	0	0	110.8
305	D	59.4	Low	73.5	Confident	129 Å²	129	60.7 Å²	60.7	69%	0.69	31%	0.313	S	S	*	.	H	α-helix	trans	-65.1	-39.2	179	-53.5	-32.8	0	0	0	112.8	G303 Q308	G303-D305 PolarHBondContact O-N 3.48Å; G303-D305 VanDerWaalsContact O-N 3.12Å; D305-Q308 PolarHBondContact O-N 2.91Å
306	R	65.1	Low	74.4	Confident	24 Å²	24	54 Å²	54	9%	0.091	28%	0.282	C	S	.	.	H	α-helix	trans	-75.4	-33.4	-179.3	-74.2	-169.2	179.2	-172.7	-5.5	113	S301 G303 Q308 E309 A321	S301-R306 WeakPolarHBondContact O-CB 3.42Å; S301-R306 PolarHBondContact OG-NH1 3.31Å; G303-R306 PolarHBondContact O-N 3.2Å; R306-Q308 PolarHBondContact O-N 3.18Å; R306-E309 WeakPolarHBondContact O-CB 2.94Å; R306-E309 PolarHBondContact O-N 2.91Å; R306-A321 PolarHBondContact NH2-O 3.42Å
307	L	64.2	Low	75.4	Confident	61 Å²	61	54 Å²	54	32%	0.319	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-24.1	175.7	-73.1	167.6	0	0	0	112.1	I302 G303	I302-L307 HydrophobicContact CG2-CD1 4.32Å; G303-L307 PolarHBondContact O-N 2.97Å
308	Q	71.8	Confident	76.2	Confident	154 Å²	154	53.4 Å²	53.4	72%	0.72	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-12	175.5	-66	-176.4	6.6	0	0	113.7	D305 R306 K310	D305-Q308 PolarHBondContact O-N 2.91Å; R306-Q308 PolarHBondContact O-N 3.18Å; Q308-K310 VanDerWaalsContact C-N 3.3Å
309	E	81	Confident	77.4	Confident	33 Å²	33	52.8 Å²	52.8	15%	0.154	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-23.2	178.5	-63.9	174.3	173.1	0	0	112.6	A256 N257 Y261 R306	A256-E309 HydrophobicContact CB-CB 4.11Å; N257-E309 WeakPolarHBondContact CB-OE1 3.47Å; N257-E309 PolarHBondContact ND2-OE1 3.33Å; Y261-E309 HydrophobicContact CE2-CB 3.94Å; Y261-E309 PolarHBondContact OH-OE2 3.05Å; R306-E309 WeakPolarHBondContact O-CB 2.94Å; R306-E309 PolarHBondContact O-N 2.91Å
310	K	87.1	Confident	78.6	Confident	24 Å²	24	48 Å²	48	10%	0.104	25%	0.249	C	C	.	.			trans	-79.5	133.3	-177	-63.9	179.3	175	-153.6	0	111.2	Y261 E297 Q308 D315	Y261-K310 HydrophobicContact CD1-CD 4.4Å; Y261-K310 HydrophobicContact CD1-CG 3.92Å; Y261-K310 HydrophobicContact CE1-CD 4.33Å; Y261-K310 VanDerWaalsContact CE1-CE 3.46Å; Y261-K310 HydrophobicContact CE1-CG 3.87Å; Y261-K310 HydrophobicContact CG-CG 4.35Å; E297-K310 VanDerWaalsContact CG-NZ 3.35Å; E297-K310 WeakPolarHBondContact OE1-CE 3.5Å; E297-K310 IonicContact OE1-NZ 3.52Å; E297-K310 PolarHBondContact OE1-NZ 2.93Å; E297-K310 IonicContact OE2-NZ 3.06Å; Q308-K310 VanDerWaalsContact C-N 3.3Å; K310-D315 WeakPolarHBondContact CE-O 3.35Å; K310-D315 PolarHBondContact NZ-O 2.81Å
311	R	89.8	Confident	79.9	Confident	162 Å²	162	47.4 Å²	47.4	61%	0.611	25%	0.249	S	C	*	.	S	Bend	trans	-65.5	-39.9	171.7	-65.5	178	-177.6	171.8	-0	111.8	Y254 D263	Y254-R311 HydrophobicContact CD2-CG 4.47Å; Y254-R311 HydrophobicContact CE1-CB 4.3Å; Y254-R311 HydrophobicContact CE1-CG 4.05Å; Y254-R311 HydrophobicContact CE2-CG 3.88Å; Y254-R311 PolarHBondContact OH-N 3.36Å; D263-R311 IonicContact OD2-NH1 3.22Å; D263-R311 PolarHBondContact OD2-NH1 3.29Å
312	N	88.7	Confident	81.2	Confident	56 Å²	56	48.4 Å²	48.4	30%	0.299	26%	0.256	S	S	.	.	S	Bend	trans	-133.3	152.1	179.7	-49.3	-81.9	0	0	0	111.5	V265 S314 D315	V265-N312 HydrophobicContact CG2-CB 4.28Å; N312-S314 PolarHBondContact O-N 2.94Å; N312-D315 PolarHBondContact N-OD2 3.17Å; N312-D315 VanDerWaalsContact N-OD2 3.08Å; N312-D315 PolarHBondContact ND2-OD2 3.17Å; N312-D315 WeakPolarHBondContact O-CB 3.47Å; N312-D315 PolarHBondContact O-N 3.4Å; N312-D315 VanDerWaalsContact O-N 3.12Å
313	T	85.3	Confident	82.4	Confident	83 Å²	83	48.8 Å²	48.8	51%	0.509	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.4	178.4	-50	0	0	0	0	113.3	Q290 D315	Q290-T313 HydrophobicContact CB-CG2 4.27Å; Q290-T313 HydrophobicContact CG-CG2 4.12Å; T313-D315 VanDerWaalsContact C-N 3.31Å
314	S	87	Confident	83.5	Confident	19 Å²	19	52.7 Å²	52.7	13%	0.133	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.8	176.4	43	0	0	0	0	113.9	T264 N312	T264-S314 VanDerWaalsContact CG2-O 3.24Å; T264-S314 WeakPolarHBondContact CG2-O 3.44Å; T264-S314 VanDerWaalsContact OG1-CB 3.29Å; T264-S314 WeakPolarHBondContact OG1-CB 3.4Å; T264-S314 PolarHBondContact OG1-OG 3.38Å; N312-S314 PolarHBondContact O-N 2.94Å
315	D	92.7	Very high	84.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.			trans	-70.4	138	-178	-63.8	-13.8	0	0	0	110	Y254 F262 T264 K310 N312 T313	Y254-D315 PolarHBondContact OH-OD2 2.86Å; F262-D315 WeakPolarHBondContact O-CA 3.23Å; F262-D315 WeakPolarHBondContact O-CB 3.27Å; F262-D315 VanDerWaalsContact O-CG 3.22Å; T264-D315 PolarHBondContact N-OD1 3.37Å; T264-D315 PolarHBondContact OG1-OD1 3.29Å; K310-D315 WeakPolarHBondContact CE-O 3.35Å; K310-D315 PolarHBondContact NZ-O 2.81Å; N312-D315 PolarHBondContact N-OD2 3.17Å; N312-D315 VanDerWaalsContact N-OD2 3.08Å; N312-D315 PolarHBondContact ND2-OD2 3.17Å; N312-D315 WeakPolarHBondContact O-CB 3.47Å; N312-D315 PolarHBondContact O-N 3.4Å; N312-D315 VanDerWaalsContact O-N 3.12Å; T313-D315 VanDerWaalsContact C-N 3.31Å
316	F	93.5	Very high	86.2	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.3	-176.8	55.1	-91.7	0	0	0	111.1	Y261 F262 T264 Y275 M293 L318 H341 N372 Q376	Y261-F316 WeakPolarHBondContact CA-O 3.47Å; F262-F316 HydrophobicContact CB-CD1 4.35Å; F262-F316 HydrophobicContact CB-CD2 3.98Å; F262-F316 HydrophobicContact CB-CE1 3.98Å; F262-F316 HydrophobicContact CB-CE2 3.57Å; F262-F316 HydrophobicContact CB-CG 4.35Å; F262-F316 HydrophobicContact CB-CZ 3.58Å; F262-F316 AromaticContact CD1-CE1 3.71Å; F262-F316 HydrophobicContact CD1-CE1 3.71Å; F262-F316 HydrophobicContact CD1-CE2 4.43Å; F262-F316 AromaticContact CD1-CZ 3.59Å; F262-F316 HydrophobicContact CD1-CZ 3.59Å; F262-F316 HydrophobicContact CD2-CE2 4.37Å; F262-F316 HydrophobicContact CD2-CZ 4.09Å; F262-F316 HydrophobicContact CE1-CE1 4.47Å; F262-F316 HydrophobicContact CE1-CZ 4.28Å; F262-F316 AromaticContact CG-CE1 3.99Å; F262-F316 HydrophobicContact CG-CE1 3.99Å; F262-F316 AromaticContact CG-CE2 3.9Å; F262-F316 HydrophobicContact CG-CE2 3.9Å; F262-F316 AromaticContact CG-CZ 3.47Å; F262-F316 HydrophobicContact CG-CZ 3.47Å; F262-F316 VanDerWaalsContact CG-CZ 3.47Å; F262-F316 PolarHBondContact N-O 2.85Å; T264-F316 HydrophobicContact CG2-CD1 4.07Å; T264-F316 HydrophobicContact CG2-CE1 3.8Å; Y275-F316 AromaticContact CE2-CE1 3.83Å; Y275-F316 HydrophobicContact CE2-CE1 3.83Å; M293-F316 HydrophobicContact SD-CB 4.45Å; F316-L318 HydrophobicContact CD2-CD2 4.34Å; F316-L318 HydrophobicContact CE2-CD2 3.94Å; F316-L318 PolarHBondContact O-N 3.12Å; F316-H341 AromaticContact CD2-CD2 3.78Å; F316-N372 HydrophobicContact CD1-CB 4.38Å; F316-N372 WeakPolarHBondContact CD1-OD1 3.27Å; F316-N372 HydrophobicContact CD2-CB 4.21Å; F316-N372 HydrophobicContact CE1-CB 3.99Å; F316-N372 VanDerWaalsContact CE1-CG 3.46Å; F316-N372 WeakPolarHBondContact CE1-OD1 3.29Å; F316-N372 HydrophobicContact CE2-CB 3.8Å; F316-N372 HydrophobicContact CG-CB 4.48Å; F316-N372 WeakPolarHBondContact CG-ND2 3.34Å; F316-N372 HydrophobicContact CZ-CB 3.67Å; F316-Q376 HydrophobicContact CE2-CG 3.9Å; F316-Q376 HydrophobicContact CZ-CG 4.22Å
317	A	94.1	Very high	87.4	Confident	7 Å²	7	41.2 Å²	41.2	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	128.8	-175.1	0	0	0	0	0	111.3	Y261 K320	Y261-A317 HydrophobicContact CD1-CB 4.14Å; Y261-A317 HydrophobicContact CE1-CB 4.08Å; A317-K320 HydrophobicContact CB-CD 4.42Å; A317-K320 HydrophobicContact CB-CG 3.74Å
318	L	96.4	Very high	88.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-39.3	166.5	-60	-176.4	0	0	0	110.8	V244 I247 A253 V260 F262 F316 G339 I342 Q376	V244-L318 HydrophobicContact CG1-CB 4.09Å; V244-L318 HydrophobicContact CG1-CD1 4.14Å; V244-L318 HydrophobicContact CG2-CB 3.82Å; V244-L318 HydrophobicContact CG2-CD1 4.4Å; I247-L318 HydrophobicContact CD1-CD1 4.24Å; I247-L318 HydrophobicContact CG2-CD1 4.15Å; A253-L318 HydrophobicContact CB-CD1 3.65Å; V260-L318 HydrophobicContact CB-CB 4.44Å; V260-L318 HydrophobicContact CG1-CB 4.35Å; V260-L318 HydrophobicContact CG1-CD1 4.25Å; V260-L318 PolarHBondContact O-N 3.38Å; F262-L318 HydrophobicContact CB-CD1 4.24Å; F262-L318 HydrophobicContact CB-CD2 3.97Å; F262-L318 HydrophobicContact CB-CG 4.02Å; F262-L318 HydrophobicContact CD2-CD1 4.25Å; F262-L318 HydrophobicContact CD2-CD2 4.22Å; F316-L318 HydrophobicContact CD2-CD2 4.34Å; F316-L318 HydrophobicContact CE2-CD2 3.94Å; F316-L318 PolarHBondContact O-N 3.12Å; L318-G339 PolarHBondContact O-N 3.45Å; L318-I342 HydrophobicContact CD2-CB 4.46Å; L318-I342 HydrophobicContact CD2-CD1 4.29Å; L318-I342 WeakPolarHBondContact O-CG2 3.45Å; L318-Q376 HydrophobicContact CD2-CG 3.9Å
319	W	95.9	Very high	89.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136.6	176.7	-170.8	-100	0	0	0	109.3	V237 I240 V241 S259 V260 W329 S331 W333 P338	V237-W319 HydrophobicContact CG1-CH2 3.9Å; V237-W319 HydrophobicContact CG1-CZ3 4.08Å; I240-W319 HydrophobicContact CG2-CZ3 4.49Å; V241-W319 HydrophobicContact CG2-CE3 4.27Å; V241-W319 HydrophobicContact CG2-CH2 3.76Å; V241-W319 HydrophobicContact CG2-CZ3 3.59Å; S259-W319 CarbonylContact C-O 3.55Å; S259-W319 VanDerWaalsContact CA-O 3.32Å; S259-W319 WeakPolarHBondContact CA-O 3.29Å; S259-W319 WeakPolarHBondContact CB-O 3.24Å; V260-W319 HydrophobicContact CB-CB 3.92Å; V260-W319 HydrophobicContact CG2-CB 4.03Å; V260-W319 PolarHBondContact N-O 3.26Å; V260-W319 PolarHBondContact O-N 3.22Å; V260-W319 VanDerWaalsContact O-N 3.15Å; W319-W329 HydrophobicContact CH2-CB 4.06Å; W319-W329 HydrophobicContact CZ2-CB 4.48Å; W319-S331 VanDerWaalsContact CZ2-CB 3.47Å; W319-S331 PolarHBondContact NE1-OG 2.87Å; W319-W333 HydrophobicContact CB-CE3 4.22Å; W319-W333 HydrophobicContact CB-CZ3 4.32Å; W319-W333 AromaticContact CD1-CE3 3.88Å; W319-W333 HydrophobicContact CD2-CE3 4.23Å; W319-W333 HydrophobicContact CD2-CZ3 4.23Å; W319-W333 AromaticContact CG-CE3 3.87Å; W319-W333 HydrophobicContact CG-CE3 3.87Å; W319-W333 HydrophobicContact CG-CZ3 4.14Å; W319-P338 HydrophobicContact CZ3-CG 4.15Å
320	K	92.9	Very high	90.4	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.035	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.3	-178.4	-62.1	175.5	-175.9	176.2	0	109.2	E297 A317 S322 G336 R337	E297-K320 WeakPolarHBondContact O-CE 3.4Å; E297-K320 PolarHBondContact O-NZ 3.44Å; A317-K320 HydrophobicContact CB-CD 4.42Å; A317-K320 HydrophobicContact CB-CG 3.74Å; K320-S322 PolarHBondContact O-N 2.8Å; K320-G336 CarbonylContact O-C 3.57Å; K320-G336 WeakPolarHBondContact O-CA 3.41Å; K320-R337 HydrophobicContact CB-CG 4.17Å; K320-R337 PolarHBondContact N-O 3.47Å; K320-R337 PolarHBondContact O-N 2.92Å
321	A	92.4	Very high	90.8	Very high	17 Å²	17	42.6 Å²	42.6	14%	0.14	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	133.7	171.6	0	0	0	0	0	110.7	S259 R306	S259-A321 PolarHBondContact OG-N 3.09Å; R306-A321 PolarHBondContact NH2-O 3.42Å
322	S	90	Very high	91.1	Very high	28 Å²	28	38.7 Å²	38.7	20%	0.196	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-85.8	139.1	-178.8	-75.3	0	0	0	0	111.3	K320 P327 Y335 G336 R337	K320-S322 PolarHBondContact O-N 2.8Å; S322-P327 PolarHBondContact OG-O 3.07Å; S322-Y335 PolarHBondContact N-O 3.38Å; S322-G336 WeakPolarHBondContact OG-CA 3.31Å; S322-R337 PolarHBondContact OG-NH1 3.2Å
323	K	85.4	Confident	91.4	Very high	83 Å²	83	38 Å²	38	36%	0.361	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-92.6	160.1	173.7	-64	171.5	-177.7	165.2	0	110.2	L300 G325 E326	L300-K323 PolarHBondContact O-NZ 3.14Å; K323-G325 PolarHBondContact O-N 3.28Å; K323-E326 HydrophobicContact CB-CG 4.34Å; K323-E326 PolarHBondContact N-OE2 3.4Å; K323-E326 WeakPolarHBondContact O-CB 3.45Å; K323-E326 PolarHBondContact O-N 2.9Å
324	P	84.4	Confident	91.8	Very high	110 Å²	110	35.8 Å²	35.8	71%	0.714	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	129.2	168.7	-24.9	34.2	0	0	0	110.7
325	G	83.8	Confident	92.1	Very high	4 Å²	4	41.6 Å²	41.6	4%	0.041	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	1	-173.6	0	0	0	0	0	115.3	R100 K195 V198 K323	R100-G325 WeakPolarHBondContact CD-O 3.42Å; R100-G325 PolarHBondContact NH1-O 3.05Å; K195-G325 WeakPolarHBondContact O-CA 3.37Å; V198-G325 CarbonylContact O-C 3.55Å; V198-G325 WeakPolarHBondContact O-CA 3.33Å; K323-G325 PolarHBondContact O-N 3.28Å
326	E	88.9	Confident	92.1	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.037	22%	0.22	C	C	.	.	S	Bend	trans	-118.1	148.8	179	-55.9	179	160.5	0	0	109.4	I96 K323 R337	I96-E326 HydrophobicContact CG2-CB 4.34Å; I96-E326 HydrophobicContact CG2-CG 4.12Å; K323-E326 HydrophobicContact CB-CG 4.34Å; K323-E326 PolarHBondContact N-OE2 3.4Å; K323-E326 WeakPolarHBondContact O-CB 3.45Å; K323-E326 PolarHBondContact O-N 2.9Å; E326-R337 IonicContact OE1-NH2 2.66Å; E326-R337 PolarHBondContact OE1-NH2 3.22Å; E326-R337 IonicContact OE2-CZ 3.97Å; E326-R337 VanDerWaalsContact OE2-CZ 3.27Å; E326-R337 IonicContact OE2-NH1 2.74Å; E326-R337 PolarHBondContact OE2-NH1 3.29Å; E326-R337 IonicContact OE2-NH2 2.91Å; E326-R337 PolarHBondContact OE2-NH2 3.01Å; E326-R337 VanDerWaalsContact OE2-NH2 3.16Å
327	P	90.6	Very high	92.2	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.032	22%	0.219	C	C	.	.			trans	-64.1	151.5	171.9	30.4	-35.3	0	0	0	110.1	I96 F204 S322 W329	I96-P327 HydrophobicContact CD1-CG 3.86Å; I96-P327 HydrophobicContact CG1-CG 3.78Å; F204-P327 HydrophobicContact CD1-CG 4.48Å; F204-P327 HydrophobicContact CD2-CB 3.91Å; F204-P327 HydrophobicContact CD2-CG 4.15Å; F204-P327 HydrophobicContact CE2-CB 4.15Å; F204-P327 HydrophobicContact CE2-CG 4.36Å; F204-P327 HydrophobicContact CG-CB 4.4Å; F204-P327 HydrophobicContact CG-CG 4.22Å; S322-P327 PolarHBondContact OG-O 3.07Å; P327-W329 HydrophobicContact CB-CH2 3.81Å; P327-W329 HydrophobicContact CB-CZ3 3.81Å; P327-W329 HydrophobicContact CG-CH2 4.18Å; P327-W329 HydrophobicContact CG-CZ3 4.07Å
328	F	91.7	Very high	92.2	Very high	84 Å²	84	41.5 Å²	41.5	37%	0.368	22%	0.218	S	C	.	.			trans	-144.2	143.9	-174.6	61.8	-93	0	0	0	112.8	H201 Y335 G336	H201-F328 PolarHBondContact CE1-O 3.27Å; H201-F328 AromaticContact NE2-CD1 3.94Å; H201-F328 PolarHBondContact NE2-N 2.99Å; H201-F328 VanDerWaalsContact NE2-N 3.17Å; H201-F328 PolarHBondContact NE2-O 2.88Å; F328-Y335 AromaticContact CD2-CD1 3.44Å; F328-Y335 HydrophobicContact CD2-CD1 3.44Å; F328-Y335 VanDerWaalsContact CD2-CD1 3.44Å; F328-Y335 AromaticContact CD2-CE1 3.89Å; F328-Y335 HydrophobicContact CD2-CE1 3.89Å; F328-Y335 AromaticContact CD2-CG 3.97Å; F328-Y335 HydrophobicContact CD2-CG 3.97Å; F328-Y335 HydrophobicContact CE2-CD1 4.03Å; F328-Y335 HydrophobicContact CE2-CE1 4.02Å; F328-Y335 HydrophobicContact CG-CD1 4.33Å; F328-G336 WeakPolarHBondContact CA-O 3.21Å
329	W	94.1	Very high	92.1	Very high	49 Å²	49	41.5 Å²	41.5	19%	0.186	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-121.6	149.8	172.4	-68.1	-100.4	0	0	0	109.1	I91 V237 W319 P327 Y335 G336 R337	I91-W329 HydrophobicContact CD1-CE3 4.44Å; I91-W329 HydrophobicContact CD1-CH2 3.32Å; I91-W329 HydrophobicContact CD1-CZ2 3.46Å; I91-W329 VanDerWaalsContact CD1-CZ2 3.46Å; I91-W329 HydrophobicContact CD1-CZ3 3.85Å; I91-W329 HydrophobicContact CG1-CH2 3.7Å; I91-W329 HydrophobicContact CG1-CZ2 4.16Å; I91-W329 HydrophobicContact CG1-CZ3 4.36Å; I91-W329 HydrophobicContact CG2-CH2 4.2Å; I91-W329 HydrophobicContact CG2-CZ3 4.09Å; V237-W329 HydrophobicContact CB-CG 4.36Å; V237-W329 HydrophobicContact CG1-CB 3.72Å; V237-W329 HydrophobicContact CG1-CD2 4.46Å; V237-W329 HydrophobicContact CG1-CG 3.73Å; V237-W329 HydrophobicContact CG2-CD2 4.3Å; V237-W329 HydrophobicContact CG2-CG 4.23Å; W319-W329 HydrophobicContact CH2-CB 4.06Å; W319-W329 HydrophobicContact CZ2-CB 4.48Å; P327-W329 HydrophobicContact CB-CH2 3.81Å; P327-W329 HydrophobicContact CB-CZ3 3.81Å; P327-W329 HydrophobicContact CG-CH2 4.18Å; P327-W329 HydrophobicContact CG-CZ3 4.07Å; W329-Y335 WeakPolarHBondContact O-CA 3.31Å; W329-G336 PolarHBondContact N-O 2.68Å; W329-G336 PolarHBondContact O-N 3.05Å; W329-R337 HydrophobicContact CE3-CB 4.08Å; W329-R337 HydrophobicContact CZ3-CB 4.03Å
330	E	93.8	Very high	91.9	Very high	155 Å²	155	43.8 Å²	43.8	72%	0.724	23%	0.227	S	C	*	.			trans	-71.5	138.3	175.6	-171.7	172.9	-171.7	0	0	110.3	Y335	E330-Y335 HydrophobicContact CB-CE1 4.29Å
331	S	95.7	Very high	92.1	Very high	13 Å²	13	43.6 Å²	43.6	9%	0.091	23%	0.226	C	C	.	.			trans	-149.3	164.1	174.3	79.7	0	0	0	0	110.2	W319 W333 G334	W319-S331 VanDerWaalsContact CZ2-CB 3.47Å; W319-S331 PolarHBondContact NE1-OG 2.87Å; S331-W333 PolarHBondContact O-N 3.46Å; S331-W333 PolarHBondContact OG-N 3.19Å; S331-G334 PolarHBondContact N-O 3.46Å; S331-G334 PolarHBondContact O-N 2.91Å; S331-G334 PolarHBondContact OG-O 2.79Å
332	P	95.7	Very high	92.3	Very high	80 Å²	80	42.8 Å²	42.8	52%	0.519	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.5	174	-22.5	30.1	0	0	0	114.5	V241 E245	V241-P332 HydrophobicContact CG1-CG 4.07Å; E245-P332 HydrophobicContact CG-CG 4.24Å; E245-P332 WeakPolarHBondContact OE1-CG 3.31Å
333	W	94.8	Very high	92.6	Very high	41 Å²	41	41.5 Å²	41.5	16%	0.155	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	10.4	-179	-39.1	-72.3	0	0	0	112.7	V241 V244 E245 I248 E255 G258 V260 W319 S331	V241-W333 HydrophobicContact CG1-CH2 4.09Å; V241-W333 HydrophobicContact CG1-CZ3 4.1Å; V244-W333 HydrophobicContact CB-CH2 3.62Å; V244-W333 HydrophobicContact CB-CZ2 4.34Å; V244-W333 HydrophobicContact CB-CZ3 4.25Å; V244-W333 HydrophobicContact CG1-CH2 3.4Å; V244-W333 VanDerWaalsContact CG1-CH2 3.4Å; V244-W333 HydrophobicContact CG1-CZ2 3.78Å; V244-W333 HydrophobicContact CG1-CZ3 3.97Å; E245-W333 HydrophobicContact CB-CZ2 4.46Å; E245-W333 HydrophobicContact CG-CH2 3.89Å; E245-W333 HydrophobicContact CG-CZ2 3.62Å; I248-W333 HydrophobicContact CD1-CZ2 3.52Å; E255-W333 HydrophobicContact CG-CB 4.22Å; E255-W333 HydrophobicContact CG-CG 4.24Å; G258-W333 VanDerWaalsContact CA-O 3.24Å; G258-W333 WeakPolarHBondContact CA-O 2.91Å; V260-W333 HydrophobicContact CG2-CB 4.37Å; V260-W333 HydrophobicContact CG2-CD2 3.4Å; V260-W333 VanDerWaalsContact CG2-CD2 3.4Å; V260-W333 HydrophobicContact CG2-CE3 3.76Å; V260-W333 HydrophobicContact CG2-CG 3.66Å; V260-W333 HydrophobicContact CG2-CZ2 4.27Å; V260-W333 HydrophobicContact CG2-CZ3 4.34Å; W319-W333 HydrophobicContact CB-CE3 4.22Å; W319-W333 HydrophobicContact CB-CZ3 4.32Å; W319-W333 AromaticContact CD1-CE3 3.88Å; W319-W333 HydrophobicContact CD2-CE3 4.23Å; W319-W333 HydrophobicContact CD2-CZ3 4.23Å; W319-W333 AromaticContact CG-CE3 3.87Å; W319-W333 HydrophobicContact CG-CE3 3.87Å; W319-W333 HydrophobicContact CG-CZ3 4.14Å; S331-W333 PolarHBondContact O-N 3.46Å; S331-W333 PolarHBondContact OG-N 3.19Å
334	G	93.5	Very high	93.2	Very high	37 Å²	37	37.6 Å²	37.6	38%	0.381	19%	0.193	S	C	.	.	S	Bend	trans	98	-169.4	-176.4	0	0	0	0	0	113.4	S331 G336	S331-G334 PolarHBondContact N-O 3.46Å; S331-G334 PolarHBondContact O-N 2.91Å; S331-G334 PolarHBondContact OG-O 2.79Å; G334-G336 PolarHBondContact O-N 3.3Å
335	Y	93.7	Very high	93.8	Very high	141 Å²	141	32.4 Å²	32.4	55%	0.553	16%	0.159	S	C	*	.	S	Bend	trans	-73.4	126.2	-178	-69.9	-59.9	0	0	0	111.9	S322 F328 W329 E330	S322-Y335 PolarHBondContact N-O 3.38Å; F328-Y335 AromaticContact CD2-CD1 3.44Å; F328-Y335 HydrophobicContact CD2-CD1 3.44Å; F328-Y335 VanDerWaalsContact CD2-CD1 3.44Å; F328-Y335 AromaticContact CD2-CE1 3.89Å; F328-Y335 HydrophobicContact CD2-CE1 3.89Å; F328-Y335 AromaticContact CD2-CG 3.97Å; F328-Y335 HydrophobicContact CD2-CG 3.97Å; F328-Y335 HydrophobicContact CE2-CD1 4.03Å; F328-Y335 HydrophobicContact CE2-CE1 4.02Å; F328-Y335 HydrophobicContact CG-CD1 4.33Å; W329-Y335 WeakPolarHBondContact O-CA 3.31Å; E330-Y335 HydrophobicContact CB-CE1 4.29Å
336	G	93.1	Very high	94.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	-162.9	-179	0	0	0	0	0	114	K320 S322 F328 W329 G334	K320-G336 CarbonylContact O-C 3.57Å; K320-G336 WeakPolarHBondContact O-CA 3.41Å; S322-G336 WeakPolarHBondContact OG-CA 3.31Å; F328-G336 WeakPolarHBondContact CA-O 3.21Å; W329-G336 PolarHBondContact N-O 2.68Å; W329-G336 PolarHBondContact O-N 3.05Å; G334-G336 PolarHBondContact O-N 3.3Å
337	R	94.5	Very high	95	Very high	3 Å²	3	32 Å²	32	1%	0.011	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158	178.3	63.2	-176.3	175.6	-79.2	12.7	110.9	I91 D93 K320 S322 E326 W329	I91-R337 HydrophobicContact CG2-CB 4.24Å; D93-R337 IonicContact OD1-CZ 3.81Å; D93-R337 IonicContact OD1-NE 2.57Å; D93-R337 PolarHBondContact OD1-NE 3.36Å; D93-R337 IonicContact OD1-NH2 3.34Å; D93-R337 PolarHBondContact OD1-NH2 2.9Å; K320-R337 HydrophobicContact CB-CG 4.17Å; K320-R337 PolarHBondContact N-O 3.47Å; K320-R337 PolarHBondContact O-N 2.92Å; S322-R337 PolarHBondContact OG-NH1 3.2Å; E326-R337 IonicContact OE1-NH2 2.66Å; E326-R337 PolarHBondContact OE1-NH2 3.22Å; E326-R337 IonicContact OE2-CZ 3.97Å; E326-R337 VanDerWaalsContact OE2-CZ 3.27Å; E326-R337 IonicContact OE2-NH1 2.74Å; E326-R337 PolarHBondContact OE2-NH1 3.29Å; E326-R337 IonicContact OE2-NH2 2.91Å; E326-R337 PolarHBondContact OE2-NH2 3.01Å; E326-R337 VanDerWaalsContact OE2-NH2 3.16Å; W329-R337 HydrophobicContact CE3-CB 4.08Å; W329-R337 HydrophobicContact CZ3-CB 4.03Å
338	P	95.4	Very high	95.3	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.032	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	149.4	173.3	-27	36.5	0	0	0	113.6	V233 V237 I240 W319 I342 E343	V233-P338 HydrophobicContact CG1-CB 4.32Å; V233-P338 HydrophobicContact CG1-CG 4.1Å; V237-P338 HydrophobicContact CG2-CG 4.32Å; I240-P338 HydrophobicContact CD1-CB 3.99Å; I240-P338 HydrophobicContact CD1-CG 3.71Å; I240-P338 HydrophobicContact CG2-CB 4.15Å; I240-P338 HydrophobicContact CG2-CG 4.18Å; W319-P338 HydrophobicContact CZ3-CG 4.15Å; P338-I342 HydrophobicContact CB-CG2 4.16Å; P338-E343 HydrophobicContact CB-CG 4.15Å
339	G	93	Very high	95.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.			trans	-81.4	148.8	163	0	0	0	0	0	111.5	L318 H341 I342	L318-G339 PolarHBondContact O-N 3.45Å; G339-H341 PolarHBondContact O-N 2.94Å; G339-I342 WeakPolarHBondContact O-CG2 3.23Å; G339-I342 PolarHBondContact O-N 2.81Å; G339-I342 VanDerWaalsContact O-N 3.15Å
340	W	93.1	Very high	95.7	Very high	49 Å²	49	28.7 Å²	28.7	19%	0.186	16%	0.155	C	C	.	.	H	α-helix	trans	-51	-38	-171.4	-179.6	30.8	0	0	0	114.9	E343 L365 H369	W340-E343 WeakPolarHBondContact CA-OE1 3.33Å; W340-L365 HydrophobicContact CH2-CD2 4.08Å; W340-L365 HydrophobicContact CZ2-CD2 3.81Å; W340-H369 AromaticContact CD1-CE1 3.86Å; W340-H369 AromaticContact CD2-ND1 3.71Å; W340-H369 AromaticContact CE2-CE1 3.79Å; W340-H369 AromaticContact CE2-ND1 3.53Å; W340-H369 HydrophobicContact CH2-CB 4.35Å; W340-H369 AromaticContact CZ2-ND1 3.88Å; W340-H369 AromaticContact NE1-CE1 3.54Å; W340-H369 AromaticContact NE1-ND1 3.76Å; W340-H369 PolarHBondContact O-CE1 3.1Å
341	H	95.4	Very high	95.9	Very high	3 Å²	3	24 Å²	24	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-77.7	-37.5	-175.2	-46.7	-56.8	0	0	0	113.2	F316 G339 E343 C344 H369 N372 Q376	F316-H341 AromaticContact CD2-CD2 3.78Å; G339-H341 PolarHBondContact O-N 2.94Å; H341-E343 PolarHBondContact O-N 3.33Å; H341-C344 PolarHBondContact O-N 3.29Å; H341-H369 AromaticContact ND1-CG 3.87Å; H341-H369 AromaticContact ND1-ND1 3.2Å; H341-H369 PolarHBondContact ND1-ND1 3.22Å; H341-H369 VanDerWaalsContact ND1-ND1 3.2Å; H341-N372 HydrophobicContact CB-CB 3.82Å; H341-N372 PolarHBondContact CD2-ND2 3Å; H341-N372 PolarHBondContact NE2-ND2 3.39Å; H341-Q376 VanDerWaalsContact C-OE1 3.25Å; H341-Q376 PolarHBondContact O-OE1 3.44Å; H341-Q376 VanDerWaalsContact O-OE1 3.13Å
342	I	97.4	Very high	95.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.7	-25.9	-170.9	-167.1	60.7	0	0	0	112.3	I240 F243 V244 I247 L318 P338 G339 C344 V346 Q376	I240-I342 HydrophobicContact CG2-CG1 4.14Å; I240-I342 HydrophobicContact CG2-CG2 3.71Å; F243-I342 HydrophobicContact CD1-CD1 3.7Å; F243-I342 HydrophobicContact CE1-CD1 4.03Å; V244-I342 HydrophobicContact CG2-CD1 4.4Å; V244-I342 HydrophobicContact CG2-CG1 3.92Å; I247-I342 HydrophobicContact CD1-CD1 4.26Å; L318-I342 HydrophobicContact CD2-CB 4.46Å; L318-I342 HydrophobicContact CD2-CD1 4.29Å; L318-I342 WeakPolarHBondContact O-CG2 3.45Å; P338-I342 HydrophobicContact CB-CG2 4.16Å; G339-I342 WeakPolarHBondContact O-CG2 3.23Å; G339-I342 PolarHBondContact O-N 2.81Å; G339-I342 VanDerWaalsContact O-N 3.15Å; I342-C344 PolarHBondContact O-N 3.39Å; I342-V346 HydrophobicContact CD1-CG2 4.26Å; I342-V346 HydrophobicContact CG1-CG2 4.08Å; I342-V346 VanDerWaalsContact O-CG2 3.22Å; I342-V346 WeakPolarHBondContact O-CG2 2.95Å; I342-V346 PolarHBondContact O-N 3.04Å; I342-V346 VanDerWaalsContact O-N 3.11Å; I342-Q376 HydrophobicContact CD1-CB 4.17Å; I342-Q376 HydrophobicContact CD1-CG 4.08Å
343	E	97.1	Very high	95.8	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-52.3	-56.1	177.9	-53.2	173.2	-170.4	0	0	111	T89 V233 P338 W340 H341 V346 M347	T89-E343 WeakPolarHBondContact CG2-OE2 3.33Å; T89-E343 PolarHBondContact OG1-OE2 2.9Å; V233-E343 HydrophobicContact CB-CG 4.46Å; V233-E343 HydrophobicContact CG1-CB 4.1Å; V233-E343 HydrophobicContact CG1-CG 3.57Å; V233-E343 HydrophobicContact CG2-CB 3.98Å; V233-E343 HydrophobicContact CG2-CG 3.97Å; V233-E343 WeakPolarHBondContact CG2-OE2 3.3Å; P338-E343 HydrophobicContact CB-CG 4.15Å; W340-E343 WeakPolarHBondContact CA-OE1 3.33Å; H341-E343 PolarHBondContact O-N 3.33Å; E343-V346 PolarHBondContact O-N 2.83Å; E343-M347 VanDerWaalsContact C-CE 3.5Å; E343-M347 HydrophobicContact CB-CE 3.8Å; E343-M347 VanDerWaalsContact O-CE 3.26Å; E343-M347 WeakPolarHBondContact O-CE 3.26Å; E343-M347 WeakPolarHBondContact O-CG 3.37Å; E343-M347 PolarHBondContact O-N 2.91Å
344	C	97.6	Very high	95.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-69.5	-42.2	-173.8	-65.5	0	0	0	0	111.5	Y46 N87 H341 I342 V346 M347 A348 H369 E373	Y46-C344 HydrophobicContact CE1-CB 3.98Å; Y46-C344 WeakPolarHBondContact OH-CA 3.28Å; N87-C344 PolarHBondContact ND2-SG 2.75Å; H341-C344 PolarHBondContact O-N 3.29Å; I342-C344 PolarHBondContact O-N 3.39Å; C344-V346 VanDerWaalsContact C-N 3.28Å; C344-V346 PolarHBondContact O-N 2.91Å; C344-M347 PolarHBondContact O-N 3.47Å; C344-A348 WeakPolarHBondContact O-CB 3.4Å; C344-A348 PolarHBondContact O-N 3.16Å; C344-H369 PolarHBondContact SG-NE2 3.11Å; C344-H369 VanDerWaalsContact SG-NE2 3.41Å; C344-E373 HydrophobicContact CB-CG 4.12Å; C344-E373 WeakPolarHBondContact CB-OE2 3.43Å
345	S	97.9	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-53.8	-44.9	173.5	-73.6	0	0	0	0	112.4	T349 E373 Q376 T377	S345-T349 WeakPolarHBondContact O-CB 3.38Å; S345-T349 WeakPolarHBondContact O-CG2 3.44Å; S345-T349 PolarHBondContact O-N 2.84Å; S345-T349 PolarHBondContact O-OG1 3.39Å; S345-E373 VanDerWaalsContact OG-CA 3.28Å; S345-E373 WeakPolarHBondContact OG-CA 3.32Å; S345-E373 PolarHBondContact OG-O 3.04Å; S345-E373 VanDerWaalsContact OG-O 3.13Å; S345-Q376 PolarHBondContact OG-OE1 3.41Å; S345-Q376 VanDerWaalsContact OG-OE1 3.1Å; S345-T377 WeakPolarHBondContact CB-OG1 3.5Å; S345-T377 PolarHBondContact OG-OG1 2.93Å
346	V	98.2	Very high	96	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.024	12%	0.117	C	C	.	.	H	α-helix	trans	-72.9	-51.2	-177.1	174.5	0	0	0	0	110.9	E239 I240 F243 I342 E343 C344 A348 T349 A350	E239-V346 HydrophobicContact CB-CG1 3.61Å; I240-V346 HydrophobicContact CB-CG2 4.43Å; I240-V346 HydrophobicContact CG1-CB 3.9Å; I240-V346 HydrophobicContact CG1-CG1 3.92Å; I240-V346 HydrophobicContact CG1-CG2 3.89Å; F243-V346 HydrophobicContact CB-CG2 3.6Å; F243-V346 HydrophobicContact CD1-CG2 4.14Å; F243-V346 HydrophobicContact CD2-CG2 3.67Å; F243-V346 HydrophobicContact CE2-CG2 4.29Å; F243-V346 HydrophobicContact CG-CG2 3.57Å; I342-V346 HydrophobicContact CD1-CG2 4.26Å; I342-V346 HydrophobicContact CG1-CG2 4.08Å; I342-V346 VanDerWaalsContact O-CG2 3.22Å; I342-V346 WeakPolarHBondContact O-CG2 2.95Å; I342-V346 PolarHBondContact O-N 3.04Å; I342-V346 VanDerWaalsContact O-N 3.11Å; E343-V346 PolarHBondContact O-N 2.83Å; C344-V346 VanDerWaalsContact C-N 3.28Å; C344-V346 PolarHBondContact O-N 2.91Å; V346-A348 PolarHBondContact O-N 3.37Å; V346-T349 PolarHBondContact O-N 3.32Å; V346-T349 PolarHBondContact O-OG1 2.71Å; V346-A350 VanDerWaalsContact O-CB 3.23Å; V346-A350 WeakPolarHBondContact O-CB 3.32Å; V346-A350 PolarHBondContact O-N 2.91Å
347	M	98.1	Very high	96.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-42.8	-179.1	-71.2	-177.3	-72.7	0	0	112	Y46 N87 T231 V233 Y236 E343 C344 A350 I351	Y46-M347 HydrophobicContact CE2-CB 4.38Å; N87-M347 HydrophobicContact CB-CE 3.41Å; N87-M347 VanDerWaalsContact CB-CE 3.41Å; N87-M347 HydrophobicContact CB-SD 3.82Å; T231-M347 VanDerWaalsContact CB-SD 3.55Å; T231-M347 HydrophobicContact CG2-CB 4.48Å; T231-M347 PolarHBondContact OG1-SD 3.22Å; V233-M347 HydrophobicContact CG2-CE 3.92Å; Y236-M347 HydrophobicContact CD1-CG 4.2Å; Y236-M347 HydrophobicContact CD2-CG 3.88Å; Y236-M347 HydrophobicContact CD2-SD 4.24Å; Y236-M347 HydrophobicContact CE2-CG 4.37Å; Y236-M347 HydrophobicContact CG-CG 3.79Å; E343-M347 VanDerWaalsContact C-CE 3.5Å; E343-M347 HydrophobicContact CB-CE 3.8Å; E343-M347 VanDerWaalsContact O-CE 3.26Å; E343-M347 WeakPolarHBondContact O-CE 3.26Å; E343-M347 WeakPolarHBondContact O-CG 3.37Å; E343-M347 PolarHBondContact O-N 2.91Å; C344-M347 PolarHBondContact O-N 3.47Å; M347-A350 PolarHBondContact O-N 2.62Å; M347-I351 PolarHBondContact O-N 3.34Å
348	A	97.8	Very high	96.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-63.1	-44.8	178.7	0	0	0	0	0	111.8	Y46 C344 V346 I351 C352 W386	Y46-A348 HydrophobicContact CD1-CB 3.9Å; Y46-A348 HydrophobicContact CD2-CB 3.45Å; Y46-A348 VanDerWaalsContact CD2-CB 3.45Å; Y46-A348 HydrophobicContact CE1-CB 4.07Å; Y46-A348 HydrophobicContact CE2-CB 3.64Å; Y46-A348 HydrophobicContact CG-CB 3.57Å; C344-A348 WeakPolarHBondContact O-CB 3.4Å; C344-A348 PolarHBondContact O-N 3.16Å; V346-A348 PolarHBondContact O-N 3.37Å; A348-I351 PolarHBondContact O-N 3.25Å; A348-C352 VanDerWaalsContact O-CB 3.28Å; A348-C352 WeakPolarHBondContact O-CB 3.49Å; A348-C352 PolarHBondContact O-N 3.22Å; A348-W386 HydrophobicContact CB-CH2 4.23Å; A348-W386 HydrophobicContact CB-CZ2 3.76Å
349	T	97.2	Very high	96.6	Very high	10 Å²	10	21 Å²	21	6%	0.061	12%	0.115	C	C	.	.	H	α-helix	trans	-76.2	-28.4	-178.5	57.5	0	0	0	0	113	S345 V346 I351 G353 T377 Y381 W386	S345-T349 WeakPolarHBondContact O-CB 3.38Å; S345-T349 WeakPolarHBondContact O-CG2 3.44Å; S345-T349 PolarHBondContact O-N 2.84Å; S345-T349 PolarHBondContact O-OG1 3.39Å; V346-T349 PolarHBondContact O-N 3.32Å; V346-T349 PolarHBondContact O-OG1 2.71Å; T349-I351 VanDerWaalsContact C-N 3.31Å; T349-I351 PolarHBondContact O-N 2.91Å; T349-G353 WeakPolarHBondContact CA-O 3.4Å; T349-G353 WeakPolarHBondContact O-CA 3.42Å; T349-G353 PolarHBondContact O-N 3.19Å; T349-T377 HydrophobicContact CG2-CG2 3.58Å; T349-Y381 HydrophobicContact CG2-CE2 3.84Å; T349-W386 HydrophobicContact CG2-CZ2 4.03Å
350	A	97.2	Very high	96.8	Very high	57 Å²	57	21 Å²	21	47%	0.471	12%	0.115	S	C	.	.	H	α-helix	trans	-63.5	-36.2	173.2	0	0	0	0	0	112.4	Y236 V346 M347	Y236-A350 HydrophobicContact CD1-CB 4.37Å; Y236-A350 HydrophobicContact CE1-CB 3.95Å; V346-A350 VanDerWaalsContact O-CB 3.23Å; V346-A350 WeakPolarHBondContact O-CB 3.32Å; V346-A350 PolarHBondContact O-N 2.91Å; M347-A350 PolarHBondContact O-N 2.62Å
351	I	97	Very high	97	Very high	58 Å²	58	18.7 Å²	18.7	30%	0.297	11%	0.107	S	C	.	.	H	α-helix	trans	-94.1	-48.5	-179	-55.7	-55.8	0	0	0	112.6	L83 V85 V229 T231 M347 A348 T349	L83-I351 HydrophobicContact CD2-CG2 4.41Å; V85-I351 HydrophobicContact CG1-CB 4.37Å; V85-I351 HydrophobicContact CG1-CG1 4.38Å; V85-I351 HydrophobicContact CG1-CG2 4.32Å; V85-I351 HydrophobicContact CG2-CB 4.38Å; V85-I351 HydrophobicContact CG2-CG2 3.65Å; V229-I351 HydrophobicContact CG1-CD1 4.27Å; V229-I351 HydrophobicContact CG1-CG1 4.25Å; V229-I351 HydrophobicContact CG1-CG2 4.39Å; V229-I351 HydrophobicContact CG2-CG2 4.32Å; T231-I351 HydrophobicContact CG2-CG1 4.07Å; M347-I351 PolarHBondContact O-N 3.34Å; A348-I351 PolarHBondContact O-N 3.25Å; T349-I351 VanDerWaalsContact C-N 3.31Å; T349-I351 PolarHBondContact O-N 2.91Å
352	C	95.9	Very high	96.9	Very high	19 Å²	19	18.9 Å²	18.9	13%	0.128	11%	0.11	C	C	.	.	H	α-helix	trans	-91.7	-13.1	-173	-60.2	0	0	0	0	113.4	T44 A348 L356	T44-C352 HydrophobicContact CG2-CB 4.36Å; A348-C352 VanDerWaalsContact O-CB 3.28Å; A348-C352 WeakPolarHBondContact O-CB 3.49Å; A348-C352 PolarHBondContact O-N 3.22Å; C352-L356 HydrophobicContact CB-CD1 3.81Å
353	G	94.4	Very high	96.6	Very high	27 Å²	27	23.5 Å²	23.5	28%	0.278	13%	0.13	S	C	.	.			trans	85.8	-161.5	-178.2	0	0	0	0	0	114.3	T349 K355	T349-G353 WeakPolarHBondContact CA-O 3.4Å; T349-G353 WeakPolarHBondContact O-CA 3.42Å; T349-G353 PolarHBondContact O-N 3.19Å; G353-K355 VanDerWaalsContact C-N 3.31Å; G353-K355 PolarHBondContact O-N 2.94Å
354	Q	94.5	Very high	96.2	Very high	89 Å²	89	28.2 Å²	28.2	42%	0.416	16%	0.155	S	C	.	.	S	Bend	trans	-70.8	-20.9	-170.9	179.4	175.5	14.2	0	0	114.4	Y381 I383	Q354-Y381 HydrophobicContact CB-CD1 4.26Å; Q354-Y381 HydrophobicContact CB-CE1 4.03Å; Q354-Y381 HydrophobicContact CB-CE2 4.42Å; Q354-Y381 HydrophobicContact CG-CD1 3.67Å; Q354-Y381 HydrophobicContact CG-CD2 4.02Å; Q354-Y381 HydrophobicContact CG-CE1 3.97Å; Q354-Y381 HydrophobicContact CG-CE2 4.31Å; Q354-Y381 HydrophobicContact CG-CG 3.71Å; Q354-I383 HydrophobicContact CG-CD1 4.05Å
355	K	94.8	Very high	96	Very high	117 Å²	117	29.1 Å²	29.1	51%	0.509	16%	0.16	S	C	.	.			trans	-131.1	144	179.3	-67.2	-170	176	-171.7	0	109.6	I38 G353 W386	I38-K355 HydrophobicContact CD1-CB 3.76Å; G353-K355 VanDerWaalsContact C-N 3.31Å; G353-K355 PolarHBondContact O-N 2.94Å; K355-W386 WeakPolarHBondContact CA-O 3.5Å
356	L	97	Very high	95.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.2	-176.6	179.8	64.8	0	0	0	110.2	T44 C352 I358 H359 W386 V387 N388	T44-L356 WeakPolarHBondContact O-CD1 3.3Å; C352-L356 HydrophobicContact CB-CD1 3.81Å; L356-I358 WeakPolarHBondContact CG-O 3.47Å; L356-H359 HydrophobicContact CD2-CB 3.71Å; L356-W386 HydrophobicContact CD2-CZ2 4.29Å; L356-W386 PolarHBondContact N-O 3.43Å; L356-V387 HydrophobicContact CB-CG2 4.28Å; L356-V387 HydrophobicContact CD2-CG2 4.13Å; L356-V387 WeakPolarHBondContact O-CA 3.35Å; L356-N388 PolarHBondContact O-N 3.39Å
357	D	98.2	Very high	95.5	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-59.5	176.6	-62.5	-70.8	0	0	0	110.6	P37 I38 V43 T44 Y389	P37-D357 WeakPolarHBondContact CA-OD1 3.07Å; I38-D357 WeakPolarHBondContact CB-OD1 3.44Å; I38-D357 WeakPolarHBondContact CD1-OD1 3.25Å; I38-D357 WeakPolarHBondContact CG1-OD1 3.41Å; I38-D357 PolarHBondContact N-OD1 3.15Å; V43-D357 HydrophobicContact CG1-CB 4.15Å; T44-D357 PolarHBondContact N-OD2 3.35Å; T44-D357 WeakPolarHBondContact O-CB 3.45Å; T44-D357 PolarHBondContact O-N 3.17Å; T44-D357 PolarHBondContact OG1-N 3.13Å; T44-D357 PolarHBondContact OG1-OD2 2.91Å; D357-Y389 WeakPolarHBondContact O-CD2 3.44Å; D357-Y389 PolarHBondContact O-N 3.12Å
358	I	98.4	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.3	-174.6	-58	175.7	0	0	0	110.3	L24 F35 V43 T44 W45 Y46 L74 L356 Y389 L391	L24-I358 HydrophobicContact CD1-CD1 4.39Å; F35-I358 HydrophobicContact CE2-CD1 3.74Å; F35-I358 HydrophobicContact CE2-CG1 3.93Å; F35-I358 HydrophobicContact CZ-CD1 3.92Å; F35-I358 HydrophobicContact CZ-CG1 4.43Å; V43-I358 HydrophobicContact CG1-CD1 3.81Å; V43-I358 HydrophobicContact CG1-CG1 4.24Å; T44-I358 PolarHBondContact O-N 2.78Å; W45-I358 WeakPolarHBondContact CA-O 3.41Å; W45-I358 HydrophobicContact CB-CB 4.23Å; W45-I358 HydrophobicContact CD2-CB 3.96Å; W45-I358 HydrophobicContact CD2-CD1 4.01Å; W45-I358 HydrophobicContact CD2-CG2 3.69Å; W45-I358 VanDerWaalsContact CE2-CG2 3.49Å; W45-I358 HydrophobicContact CE3-CD1 3.67Å; W45-I358 HydrophobicContact CE3-CG2 4.37Å; W45-I358 HydrophobicContact CG-CB 3.83Å; W45-I358 HydrophobicContact CG-CG2 3.85Å; W45-I358 HydrophobicContact CZ2-CG2 4.02Å; W45-I358 HydrophobicContact CZ3-CD1 3.99Å; Y46-I358 PolarHBondContact N-O 3.44Å; L74-I358 HydrophobicContact CD2-CD1 3.89Å; L356-I358 WeakPolarHBondContact CG-O 3.47Å; I358-Y389 WeakPolarHBondContact CA-O 3.43Å; I358-L391 HydrophobicContact CD1-CD1 4.46Å; I358-L391 HydrophobicContact CG2-CD1 3.61Å; I358-L391 HydrophobicContact CG2-CG 3.85Å
359	H	98.4	Very high	95.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.8	165.5	-166	4.3	0	0	0	109.9	Y46 L356 H370 E373 V387 Y389 F390 L391	Y46-H359 AromaticContact CD1-CE1 3.53Å; Y46-H359 AromaticContact CD1-ND1 3.66Å; Y46-H359 CarbonylContact O-C 3.44Å; Y46-H359 WeakPolarHBondContact O-CA 3.48Å; Y46-H359 PolarHBondContact O-ND1 2.65Å; Y46-H359 VanDerWaalsContact O-ND1 3.14Å; L356-H359 HydrophobicContact CD2-CB 3.71Å; H359-H370 AromaticContact CE1-NE2 3.96Å; H359-H370 AromaticContact NE2-CD2 3.87Å; H359-E373 IonicContact CE1-OE2 2.68Å; H359-E373 IonicContact NE2-OE1 2.67Å; H359-E373 IonicContact NE2-OE2 2.79Å; H359-E373 PolarHBondContact NE2-OE2 3.28Å; H359-V387 HydrophobicContact CB-CB 4.4Å; H359-V387 HydrophobicContact CB-CG1 3.54Å; H359-V387 HydrophobicContact CB-CG2 3.98Å; H359-Y389 PolarHBondContact N-O 3.29Å; H359-F390 HydrophobicContact CB-CD1 3.99Å; H359-F390 HydrophobicContact CB-CE1 3.81Å; H359-F390 HydrophobicContact CB-CZ 4.42Å; H359-F390 AromaticContact CD2-CE1 3.46Å; H359-F390 VanDerWaalsContact CD2-CE1 3.46Å; H359-F390 WeakPolarHBondContact CD2-CE1 3.23Å; H359-F390 AromaticContact CG-CE1 3.89Å; H359-F390 WeakPolarHBondContact O-CA 3.36Å; H359-L391 PolarHBondContact O-N 3.19Å
360	S	98.2	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.8	-174.2	67.5	0	0	0	0	115.2	W45 Y46 I47 C48 L391	W45-S360 PolarHBondContact NE1-OG 2.78Å; Y46-S360 PolarHBondContact O-N 2.85Å; I47-S360 WeakPolarHBondContact CA-O 3.46Å; I47-S360 VanDerWaalsContact CB-OG 3.3Å; I47-S360 WeakPolarHBondContact CB-OG 3.48Å; I47-S360 WeakPolarHBondContact CG1-OG 3.28Å; C48-S360 PolarHBondContact N-O 3.16Å; C48-S360 VanDerWaalsContact N-O 3.07Å; S360-L391 WeakPolarHBondContact CA-O 3.46Å; S360-L391 VanDerWaalsContact CB-O 3.28Å; S360-L391 WeakPolarHBondContact CB-O 3.4Å
361	G	96.3	Very high	95	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	-176.6	177	0	0	0	0	0	112.6	F67 L391 H392 A393	F67-G361 WeakPolarHBondContact CE2-O 3.27Å; F67-G361 VanDerWaalsContact CZ-O 3.29Å; F67-G361 WeakPolarHBondContact CZ-O 3.48Å; G361-L391 PolarHBondContact N-O 3.36Å; G361-H392 VanDerWaalsContact O-CA 3.29Å; G361-H392 WeakPolarHBondContact O-CA 3.33Å; G361-A393 PolarHBondContact O-N 3.09Å
362	G	93	Very high	95	Very high	7 Å²	7	26.3 Å²	26.3	7%	0.072	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	155.6	168.9	0	0	0	0	0	111.5	D364 L365 H392	G362-D364 PolarHBondContact O-N 3.34Å; G362-L365 PolarHBondContact O-N 3.08Å; G362-H392 PolarHBondContact O-CD2 3.34Å
363	F	91.4	Very high	95	Very high	97 Å²	97	25.4 Å²	25.4	43%	0.425	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-52.7	-35.2	176	-179.5	-88.6	0	0	0	113.5	L365 R366 A393 T395	F363-L365 VanDerWaalsContact C-N 3.3Å; F363-L365 PolarHBondContact O-N 2.93Å; F363-R366 WeakPolarHBondContact O-CB 3.28Å; F363-R366 PolarHBondContact O-N 3.18Å; F363-A393 WeakPolarHBondContact CB-O 3.12Å; F363-A393 PolarHBondContact N-O 3.49Å; F363-T395 HydrophobicContact CB-CG2 3.91Å; F363-T395 HydrophobicContact CD1-CG2 4.18Å; F363-T395 HydrophobicContact CG-CG2 4.3Å
364	D	88.2	Confident	95.1	Very high	101 Å²	101	24.4 Å²	24.4	54%	0.54	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-65.2	-27	177.3	54.5	-57	0	0	0	113.9	G362 R366 F367	G362-D364 PolarHBondContact O-N 3.34Å; D364-R366 PolarHBondContact O-N 3.19Å; D364-F367 VanDerWaalsContact O-O 3.12Å
365	L	93.7	Very high	95.2	Very high	21 Å²	21	20.2 Å²	20.2	11%	0.11	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-77.4	-12.3	177.3	-59.7	-178.8	0	0	0	113	C48 W340 G362 F363 F367 H369 H370	C48-L365 HydrophobicContact CB-CD1 3.45Å; C48-L365 VanDerWaalsContact CB-CD1 3.45Å; W340-L365 HydrophobicContact CH2-CD2 4.08Å; W340-L365 HydrophobicContact CZ2-CD2 3.81Å; G362-L365 PolarHBondContact O-N 3.08Å; F363-L365 VanDerWaalsContact C-N 3.3Å; F363-L365 PolarHBondContact O-N 2.93Å; L365-F367 PolarHBondContact O-N 3.26Å; L365-H369 HydrophobicContact CB-CB 4.4Å; L365-H369 HydrophobicContact CD2-CB 4.31Å; L365-H369 WeakPolarHBondContact O-CB 3.42Å; L365-H370 PolarHBondContact O-N 3.16Å
366	R	93	Very high	95.3	Very high	25 Å²	25	14.7 Å²	14.7	9%	0.094	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-56.7	-38.8	179.6	-170.3	-175.3	-72.2	179.2	-1.3	112.3	S27 R30 L278 V279 F363 D364 H392	S27-R366 PolarHBondContact OG-NH2 3.44Å; R30-R366 VanDerWaalsContact CZ-NH1 3.3Å; L278-R366 HydrophobicContact CB-CG 4.17Å; V279-R366 HydrophobicContact CG2-CB 4.37Å; V279-R366 HydrophobicContact CG2-CG 3.54Å; F363-R366 WeakPolarHBondContact O-CB 3.28Å; F363-R366 PolarHBondContact O-N 3.18Å; D364-R366 PolarHBondContact O-N 3.19Å; R366-H392 WeakPolarHBondContact CA-NE2 3.49Å; R366-H392 WeakPolarHBondContact CB-NE2 3.49Å
367	F	92.4	Very high	95.3	Very high	30 Å²	30	14.7 Å²	14.7	13%	0.132	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148	132.8	174.8	-176.7	-96	0	0	0	109.7	V279 A282 V283 L289 A292 M293 D364 L365 D371	V279-F367 HydrophobicContact CB-CB 3.98Å; V279-F367 HydrophobicContact CB-CD2 4.36Å; V279-F367 HydrophobicContact CB-CG 4.31Å; V279-F367 HydrophobicContact CG2-CB 3.68Å; A282-F367 HydrophobicContact CB-CD1 3.55Å; A282-F367 HydrophobicContact CB-CD2 4.21Å; A282-F367 HydrophobicContact CB-CE1 3.53Å; A282-F367 HydrophobicContact CB-CE2 4.23Å; A282-F367 HydrophobicContact CB-CG 3.89Å; A282-F367 HydrophobicContact CB-CZ 3.89Å; V283-F367 HydrophobicContact CG2-CE2 3.85Å; V283-F367 HydrophobicContact CG2-CZ 4.25Å; L289-F367 HydrophobicContact CD1-CZ 3.9Å; A292-F367 HydrophobicContact CB-CD1 3.76Å; A292-F367 HydrophobicContact CB-CE1 3.35Å; A292-F367 HydrophobicContact CB-CZ 4.39Å; M293-F367 HydrophobicContact CE-CE1 4.32Å; M293-F367 HydrophobicContact CE-CE2 4.06Å; M293-F367 HydrophobicContact CE-CZ 3.59Å; D364-F367 VanDerWaalsContact O-O 3.12Å; L365-F367 PolarHBondContact O-N 3.26Å; F367-D371 HydrophobicContact CD2-CB 3.95Å
368	P	93.5	Very high	95.2	Very high	9 Å²	9	14.6 Å²	14.6	6%	0.058	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.9	-11.6	5.2	35.5	-35.7	0	0	0	114.2	A292 M293 D371 N372	A292-P368 HydrophobicContact CB-CG 4.35Å; M293-P368 HydrophobicContact CE-CB 3.62Å; M293-P368 HydrophobicContact SD-CB 4.38Å; P368-D371 PolarHBondContact O-N 3.42Å; P368-N372 WeakPolarHBondContact O-CB 3.33Å; P368-N372 PolarHBondContact O-N 3.06Å; P368-N372 PolarHBondContact O-ND2 3.21Å; P368-N372 PolarHBondContact O-OD1 2.98Å
369	H	95.2	Very high	95.2	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.014	7%	0.073	C	C	.	.	H	α-helix	trans	-58.2	-63.4	-164.9	-170.2	76.8	0	0	0	114.2	W340 H341 C344 L365 D371 N372 E373	W340-H369 AromaticContact CD1-CE1 3.86Å; W340-H369 AromaticContact CD2-ND1 3.71Å; W340-H369 AromaticContact CE2-CE1 3.79Å; W340-H369 AromaticContact CE2-ND1 3.53Å; W340-H369 HydrophobicContact CH2-CB 4.35Å; W340-H369 AromaticContact CZ2-ND1 3.88Å; W340-H369 AromaticContact NE1-CE1 3.54Å; W340-H369 AromaticContact NE1-ND1 3.76Å; W340-H369 PolarHBondContact O-CE1 3.1Å; H341-H369 AromaticContact ND1-CG 3.87Å; H341-H369 AromaticContact ND1-ND1 3.2Å; H341-H369 PolarHBondContact ND1-ND1 3.22Å; H341-H369 VanDerWaalsContact ND1-ND1 3.2Å; C344-H369 PolarHBondContact SG-NE2 3.11Å; C344-H369 VanDerWaalsContact SG-NE2 3.41Å; L365-H369 HydrophobicContact CB-CB 4.4Å; L365-H369 HydrophobicContact CD2-CB 4.31Å; L365-H369 WeakPolarHBondContact O-CB 3.42Å; H369-D371 VanDerWaalsContact C-N 3.34Å; H369-D371 PolarHBondContact O-N 2.84Å; H369-N372 WeakPolarHBondContact O-CB 3.48Å; H369-N372 PolarHBondContact O-N 3.09Å; H369-N372 VanDerWaalsContact O-N 3.1Å; H369-E373 IonicContact CD2-OE1 3.07Å; H369-E373 PolarHBondContact CD2-OE1 2.99Å; H369-E373 IonicContact CE1-OE1 3.8Å; H369-E373 IonicContact CG-OE1 3.28Å; H369-E373 IonicContact NE2-OE1 3.69Å; H369-E373 PolarHBondContact NE2-OE1 3.28Å; H369-E373 WeakPolarHBondContact O-CG 3.24Å; H369-E373 PolarHBondContact O-N 3.43Å
370	H	97	Very high	95.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.1	-30.8	-178.6	-66.5	177.4	0	0	0	113.6	C48 L278 H359 L365 N372 E373 L374 F390 H392	C48-H370 PolarHBondContact SG-NE2 3.3Å; L278-H370 HydrophobicContact CD1-CB 3.5Å; H359-H370 AromaticContact CE1-NE2 3.96Å; H359-H370 AromaticContact NE2-CD2 3.87Å; L365-H370 PolarHBondContact O-N 3.16Å; H370-N372 VanDerWaalsContact C-N 3.31Å; H370-E373 IonicContact CD2-OE1 2.65Å; H370-E373 PolarHBondContact CD2-OE1 3.4Å; H370-E373 PolarHBondContact O-N 3.16Å; H370-L374 WeakPolarHBondContact O-CB 3.46Å; H370-L374 WeakPolarHBondContact O-CG 3.09Å; H370-L374 PolarHBondContact O-N 3.49Å; H370-F390 HydrophobicContact CB-CE1 4.03Å; H370-F390 AromaticContact ND1-CD1 3.98Å; H370-H392 AromaticContact CE1-CD2 3.76Å; H370-H392 AromaticContact CE1-NE2 3.41Å; H370-H392 PolarHBondContact CE1-NE2 3.46Å; H370-H392 AromaticContact CG-NE2 3.9Å; H370-H392 AromaticContact ND1-CD2 3.62Å; H370-H392 AromaticContact ND1-CE1 3.66Å; H370-H392 AromaticContact ND1-NE2 2.81Å; H370-H392 PolarHBondContact ND1-NE2 3.35Å
371	D	94.9	Very high	94.9	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-65.5	-37.2	173.5	-105.6	-45.9	0	0	0	111	G276 K277 L278 V279 F367 P368 H369 A375	G276-D371 WeakPolarHBondContact CA-OD1 3.23Å; K277-D371 PolarHBondContact N-OD1 3.01Å; L278-D371 WeakPolarHBondContact CB-OD2 3.44Å; L278-D371 PolarHBondContact N-OD1 3.43Å; L278-D371 PolarHBondContact N-OD2 3.02Å; V279-D371 PolarHBondContact N-OD2 3.44Å; F367-D371 HydrophobicContact CD2-CB 3.95Å; P368-D371 PolarHBondContact O-N 3.42Å; H369-D371 VanDerWaalsContact C-N 3.34Å; H369-D371 PolarHBondContact O-N 2.84Å; D371-A375 PolarHBondContact O-N 2.98Å; D371-A375 VanDerWaalsContact O-N 3.16Å
372	N	96.2	Very high	94.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-70.6	-41.6	174.7	-70.3	-6.6	0	0	0	111.6	Y275 F316 H341 P368 H369 H370 L374 A375 Q376	Y275-N372 VanDerWaalsContact CE2-OD1 3.31Å; Y275-N372 WeakPolarHBondContact CE2-OD1 3.37Å; Y275-N372 PolarHBondContact OH-OD1 3.45Å; F316-N372 HydrophobicContact CD1-CB 4.38Å; F316-N372 WeakPolarHBondContact CD1-OD1 3.27Å; F316-N372 HydrophobicContact CD2-CB 4.21Å; F316-N372 HydrophobicContact CE1-CB 3.99Å; F316-N372 VanDerWaalsContact CE1-CG 3.46Å; F316-N372 WeakPolarHBondContact CE1-OD1 3.29Å; F316-N372 HydrophobicContact CE2-CB 3.8Å; F316-N372 HydrophobicContact CG-CB 4.48Å; F316-N372 WeakPolarHBondContact CG-ND2 3.34Å; F316-N372 HydrophobicContact CZ-CB 3.67Å; H341-N372 HydrophobicContact CB-CB 3.82Å; H341-N372 PolarHBondContact CD2-ND2 3Å; H341-N372 PolarHBondContact NE2-ND2 3.39Å; P368-N372 WeakPolarHBondContact O-CB 3.33Å; P368-N372 PolarHBondContact O-N 3.06Å; P368-N372 PolarHBondContact O-ND2 3.21Å; P368-N372 PolarHBondContact O-OD1 2.98Å; H369-N372 WeakPolarHBondContact O-CB 3.48Å; H369-N372 PolarHBondContact O-N 3.09Å; H369-N372 VanDerWaalsContact O-N 3.1Å; H370-N372 VanDerWaalsContact C-N 3.31Å; N372-L374 VanDerWaalsContact C-N 3.35Å; N372-L374 PolarHBondContact O-N 3.3Å; N372-A375 PolarHBondContact O-N 3.47Å; N372-Q376 WeakPolarHBondContact O-CB 3.19Å; N372-Q376 WeakPolarHBondContact O-CG 3.39Å; N372-Q376 PolarHBondContact O-N 3.49Å
373	E	97.4	Very high	94.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.5	-41.3	176	-69	176.2	-107.5	0	0	112.4	C344 S345 H359 H369 H370 Q376 T377 W386	C344-E373 HydrophobicContact CB-CG 4.12Å; C344-E373 WeakPolarHBondContact CB-OE2 3.43Å; S345-E373 VanDerWaalsContact OG-CA 3.28Å; S345-E373 WeakPolarHBondContact OG-CA 3.32Å; S345-E373 PolarHBondContact OG-O 3.04Å; S345-E373 VanDerWaalsContact OG-O 3.13Å; H359-E373 IonicContact CE1-OE2 2.68Å; H359-E373 IonicContact NE2-OE1 2.67Å; H359-E373 IonicContact NE2-OE2 2.79Å; H359-E373 PolarHBondContact NE2-OE2 3.28Å; H369-E373 IonicContact CD2-OE1 3.07Å; H369-E373 PolarHBondContact CD2-OE1 2.99Å; H369-E373 IonicContact CE1-OE1 3.8Å; H369-E373 IonicContact CG-OE1 3.28Å; H369-E373 IonicContact NE2-OE1 3.69Å; H369-E373 PolarHBondContact NE2-OE1 3.28Å; H369-E373 WeakPolarHBondContact O-CG 3.24Å; H369-E373 PolarHBondContact O-N 3.43Å; H370-E373 IonicContact CD2-OE1 2.65Å; H370-E373 PolarHBondContact CD2-OE1 3.4Å; H370-E373 PolarHBondContact O-N 3.16Å; E373-Q376 PolarHBondContact O-N 3.25Å; E373-T377 WeakPolarHBondContact O-CB 3.4Å; E373-T377 PolarHBondContact O-N 3.11Å; E373-T377 PolarHBondContact O-OG1 3.49Å; E373-T377 VanDerWaalsContact O-OG1 3.08Å; E373-W386 HydrophobicContact CB-CH2 4.37Å; E373-W386 HydrophobicContact CB-CZ3 3.81Å
374	L	95.8	Very high	94.7	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-55.6	-51.7	171.5	-83.4	172.8	0	0	0	110.9	K277 L278 H370 N372 Q376 T377 E378 W386 V387 F390	K277-L374 HydrophobicContact CB-CD1 4.44Å; L278-L374 HydrophobicContact CD1-CD1 3.67Å; L278-L374 HydrophobicContact CG-CD1 3.75Å; H370-L374 WeakPolarHBondContact O-CB 3.46Å; H370-L374 WeakPolarHBondContact O-CG 3.09Å; H370-L374 PolarHBondContact O-N 3.49Å; N372-L374 VanDerWaalsContact C-N 3.35Å; N372-L374 PolarHBondContact O-N 3.3Å; L374-Q376 PolarHBondContact O-N 2.92Å; L374-T377 PolarHBondContact O-N 3.46Å; L374-E378 WeakPolarHBondContact O-CB 3.3Å; L374-E378 WeakPolarHBondContact O-CG 3.14Å; L374-E378 PolarHBondContact O-N 2.97Å; L374-W386 HydrophobicContact CD2-CB 4.42Å; L374-W386 HydrophobicContact CD2-CE3 4.12Å; L374-V387 HydrophobicContact CD2-CG2 4.35Å; L374-F390 HydrophobicContact CD1-CE2 3.79Å; L374-F390 HydrophobicContact CD1-CZ 3.67Å; L374-F390 HydrophobicContact CD2-CE2 3.84Å; L374-F390 HydrophobicContact CD2-CZ 3.65Å; L374-F390 HydrophobicContact CG-CE2 4.09Å; L374-F390 HydrophobicContact CG-CZ 3.61Å
375	A	96.2	Very high	94.9	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-43.1	-178.8	0	0	0	0	0	112.2	F262 F267 Y275 D371 N372 A379	F262-A375 HydrophobicContact CE1-CB 3.96Å; F262-A375 HydrophobicContact CZ-CB 3.81Å; F267-A375 HydrophobicContact CD1-CB 4.14Å; F267-A375 HydrophobicContact CE1-CB 3.81Å; F267-A375 WeakPolarHBondContact CE2-O 3.27Å; F267-A375 HydrophobicContact CZ-CB 4.17Å; Y275-A375 HydrophobicContact CD2-CB 3.9Å; Y275-A375 HydrophobicContact CE2-CB 4.25Å; D371-A375 PolarHBondContact O-N 2.98Å; D371-A375 VanDerWaalsContact O-N 3.16Å; N372-A375 PolarHBondContact O-N 3.47Å; A375-A379 WeakPolarHBondContact O-CB 3.3Å; A375-A379 PolarHBondContact O-N 3.37Å
376	Q	97.4	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.2	-50.8	177.8	-72.7	166.4	-26.3	0	0	112	I247 F262 F316 L318 H341 I342 S345 N372 E373 L374 A379 Y380	I247-Q376 HydrophobicContact CD1-CB 4.42Å; F262-Q376 HydrophobicContact CD2-CG 4.28Å; F262-Q376 HydrophobicContact CE2-CG 4.46Å; F316-Q376 HydrophobicContact CE2-CG 3.9Å; F316-Q376 HydrophobicContact CZ-CG 4.22Å; L318-Q376 HydrophobicContact CD2-CG 3.9Å; H341-Q376 VanDerWaalsContact C-OE1 3.25Å; H341-Q376 PolarHBondContact O-OE1 3.44Å; H341-Q376 VanDerWaalsContact O-OE1 3.13Å; I342-Q376 HydrophobicContact CD1-CB 4.17Å; I342-Q376 HydrophobicContact CD1-CG 4.08Å; S345-Q376 PolarHBondContact OG-OE1 3.41Å; S345-Q376 VanDerWaalsContact OG-OE1 3.1Å; N372-Q376 WeakPolarHBondContact O-CB 3.19Å; N372-Q376 WeakPolarHBondContact O-CG 3.39Å; N372-Q376 PolarHBondContact O-N 3.49Å; E373-Q376 PolarHBondContact O-N 3.25Å; L374-Q376 PolarHBondContact O-N 2.92Å; Q376-A379 PolarHBondContact O-N 3.47Å; Q376-Y380 WeakPolarHBondContact O-CB 3.49Å; Q376-Y380 PolarHBondContact O-N 3.14Å
377	T	97.2	Very high	95.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.9	-41.6	-176.3	-56	0	0	0	0	112.1	S345 T349 E373 L374 Y380 Y381 W386	S345-T377 WeakPolarHBondContact CB-OG1 3.5Å; S345-T377 PolarHBondContact OG-OG1 2.93Å; T349-T377 HydrophobicContact CG2-CG2 3.58Å; E373-T377 WeakPolarHBondContact O-CB 3.4Å; E373-T377 PolarHBondContact O-N 3.11Å; E373-T377 PolarHBondContact O-OG1 3.49Å; E373-T377 VanDerWaalsContact O-OG1 3.08Å; L374-T377 PolarHBondContact O-N 3.46Å; T377-Y380 PolarHBondContact O-N 3.08Å; T377-Y381 HydrophobicContact CG2-CD2 3.68Å; T377-Y381 HydrophobicContact CG2-CE2 3.86Å; T377-Y381 WeakPolarHBondContact O-CD2 3.41Å; T377-Y381 PolarHBondContact O-N 3.5Å; T377-W386 HydrophobicContact CG2-CB 4.05Å; T377-W386 HydrophobicContact CG2-CD2 3.45Å; T377-W386 VanDerWaalsContact CG2-CD2 3.45Å; T377-W386 HydrophobicContact CG2-CE3 4.05Å; T377-W386 HydrophobicContact CG2-CG 3.42Å; T377-W386 VanDerWaalsContact CG2-CG 3.42Å; T377-W386 HydrophobicContact CG2-CZ2 4.42Å
378	E	96.4	Very high	95.4	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-63.3	-41.2	175.5	-74.4	-177.5	-175	0	0	111.8	F267 H273 K277 L374 G382 I383 D384 W386	F267-E378 HydrophobicContact CE2-CB 4.2Å; F267-E378 HydrophobicContact CZ-CB 3.94Å; H273-E378 PolarHBondContact CE1-O 3.48Å; K277-E378 IonicContact NZ-OE1 3.44Å; K277-E378 PolarHBondContact NZ-OE1 3.33Å; K277-E378 IonicContact NZ-OE2 2.65Å; K277-E378 PolarHBondContact NZ-OE2 2.92Å; L374-E378 WeakPolarHBondContact O-CB 3.3Å; L374-E378 WeakPolarHBondContact O-CG 3.14Å; L374-E378 PolarHBondContact O-N 2.97Å; E378-G382 VanDerWaalsContact O-CA 3.26Å; E378-G382 WeakPolarHBondContact O-CA 3.41Å; E378-G382 PolarHBondContact O-N 2.78Å; E378-I383 WeakPolarHBondContact CB-O 3.49Å; E378-I383 HydrophobicContact CG-CG1 4.42Å; E378-I383 VanDerWaalsContact CG-O 3.31Å; E378-I383 WeakPolarHBondContact CG-O 3.49Å; E378-I383 PolarHBondContact O-N 3.06Å; E378-D384 VanDerWaalsContact OE1-O 3.12Å; E378-W386 HydrophobicContact CG-CB 4.41Å
379	A	96.5	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-49.3	172.9	0	0	0	0	0	111.1	K250 F252 F262 F267 A375 Q376 Y381 G382	K250-A379 WeakPolarHBondContact CD-O 3.44Å; K250-A379 PolarHBondContact NZ-O 3.44Å; F252-A379 HydrophobicContact CB-CB 4.15Å; F252-A379 HydrophobicContact CD2-CB 3.59Å; F252-A379 HydrophobicContact CE2-CB 4.26Å; F252-A379 HydrophobicContact CG-CB 4.07Å; F262-A379 HydrophobicContact CE2-CB 3.85Å; F262-A379 HydrophobicContact CZ-CB 4.06Å; F267-A379 HydrophobicContact CD2-CB 3.96Å; F267-A379 HydrophobicContact CE2-CB 3.89Å; A375-A379 WeakPolarHBondContact O-CB 3.3Å; A375-A379 PolarHBondContact O-N 3.37Å; Q376-A379 PolarHBondContact O-N 3.47Å; A379-Y381 PolarHBondContact O-N 3.22Å; A379-G382 PolarHBondContact O-N 3.46Å
380	Y	96.6	Very high	95.7	Very high	47 Å²	47	21.8 Å²	21.8	18%	0.184	12%	0.115	C	C	.	.	H	α-helix	trans	-60.6	-40.5	-177.8	178	-89.4	0	0	0	113.4	F243 K246 K250 Q376 T377	F243-Y380 HydrophobicContact CB-CD2 4.3Å; F243-Y380 HydrophobicContact CB-CE2 4.23Å; F243-Y380 AromaticContact CD1-CD2 3.49Å; F243-Y380 HydrophobicContact CD1-CD2 3.49Å; F243-Y380 VanDerWaalsContact CD1-CD2 3.49Å; F243-Y380 HydrophobicContact CD1-CE2 4.23Å; F243-Y380 AromaticContact CD1-CG 3.91Å; F243-Y380 HydrophobicContact CD1-CG 3.91Å; F243-Y380 HydrophobicContact CD2-CD1 4.16Å; F243-Y380 AromaticContact CD2-CD2 3.55Å; F243-Y380 HydrophobicContact CD2-CD2 3.55Å; F243-Y380 HydrophobicContact CD2-CE1 4.16Å; F243-Y380 AromaticContact CD2-CE2 3.57Å; F243-Y380 HydrophobicContact CD2-CE2 3.57Å; F243-Y380 AromaticContact CD2-CG 3.87Å; F243-Y380 HydrophobicContact CD2-CG 3.87Å; F243-Y380 AromaticContact CD2-CZ 3.89Å; F243-Y380 HydrophobicContact CE1-CD1 4.39Å; F243-Y380 AromaticContact CE1-CD2 3.66Å; F243-Y380 HydrophobicContact CE1-CD2 3.66Å; F243-Y380 AromaticContact CE1-CG 3.54Å; F243-Y380 HydrophobicContact CE1-CG 3.54Å; F243-Y380 AromaticContact CE2-CD1 3.56Å; F243-Y380 HydrophobicContact CE2-CD1 3.56Å; F243-Y380 AromaticContact CE2-CD2 3.69Å; F243-Y380 HydrophobicContact CE2-CD2 3.69Å; F243-Y380 AromaticContact CE2-CE1 3.87Å; F243-Y380 HydrophobicContact CE2-CE1 3.87Å; F243-Y380 HydrophobicContact CE2-CE2 4Å; F243-Y380 AromaticContact CE2-CG 3.48Å; F243-Y380 HydrophobicContact CE2-CG 3.48Å; F243-Y380 VanDerWaalsContact CE2-CG 3.48Å; F243-Y380 AromaticContact CG-CD2 3.47Å; F243-Y380 HydrophobicContact CG-CD2 3.47Å; F243-Y380 VanDerWaalsContact CG-CD2 3.47Å; F243-Y380 AromaticContact CG-CE2 3.72Å; F243-Y380 HydrophobicContact CG-CE2 3.72Å; F243-Y380 HydrophobicContact CG-CG 4.09Å; F243-Y380 AromaticContact CZ-CD1 3.72Å; F243-Y380 HydrophobicContact CZ-CD1 3.72Å; F243-Y380 AromaticContact CZ-CD2 3.76Å; F243-Y380 HydrophobicContact CZ-CD2 3.76Å; F243-Y380 HydrophobicContact CZ-CE1 4.48Å; F243-Y380 AromaticContact CZ-CG 3.31Å; F243-Y380 HydrophobicContact CZ-CG 3.31Å; K246-Y380 HydrophobicContact CB-CD2 3.81Å; K246-Y380 HydrophobicContact CB-CE2 3.67Å; K246-Y380 HydrophobicContact CD-CD1 4.43Å; K246-Y380 HydrophobicContact CD-CD2 3.47Å; K246-Y380 VanDerWaalsContact CD-CD2 3.47Å; K246-Y380 HydrophobicContact CD-CE1 4.15Å; K246-Y380 HydrophobicContact CD-CE2 3.08Å; K246-Y380 HydrophobicContact CD-CG 4.12Å; K246-Y380 VanDerWaalsContact CD-CZ 3.47Å; K246-Y380 HydrophobicContact CG-CD2 4.15Å; K246-Y380 HydrophobicContact CG-CE2 4Å; K246-Y380 PolarHBondContact NZ-OH 2.84Å; K250-Y380 WeakPolarHBondContact CE-O 3.32Å; K250-Y380 VanDerWaalsContact NZ-C 3.27Å; K250-Y380 PolarHBondContact NZ-O 3.49Å; Q376-Y380 WeakPolarHBondContact O-CB 3.49Å; Q376-Y380 PolarHBondContact O-N 3.14Å; T377-Y380 PolarHBondContact O-N 3.08Å
381	Y	95.4	Very high	95.8	Very high	63 Å²	63	21.8 Å²	21.8	25%	0.247	12%	0.115	C	C	.	.	H	α-helix	trans	-93.7	-20.5	179.6	-72.4	-69.4	0	0	0	114.6	K250 T349 Q354 T377 A379	K250-Y381 VanDerWaalsContact NZ-C 3.27Å; T349-Y381 HydrophobicContact CG2-CE2 3.84Å; Q354-Y381 HydrophobicContact CB-CD1 4.26Å; Q354-Y381 HydrophobicContact CB-CE1 4.03Å; Q354-Y381 HydrophobicContact CB-CE2 4.42Å; Q354-Y381 HydrophobicContact CG-CD1 3.67Å; Q354-Y381 HydrophobicContact CG-CD2 4.02Å; Q354-Y381 HydrophobicContact CG-CE1 3.97Å; Q354-Y381 HydrophobicContact CG-CE2 4.31Å; Q354-Y381 HydrophobicContact CG-CG 3.71Å; T377-Y381 HydrophobicContact CG2-CD2 3.68Å; T377-Y381 HydrophobicContact CG2-CE2 3.86Å; T377-Y381 WeakPolarHBondContact O-CD2 3.41Å; T377-Y381 PolarHBondContact O-N 3.5Å; A379-Y381 PolarHBondContact O-N 3.22Å
382	G	93.3	Very high	95.9	Very high	46 Å²	46	21.7 Å²	21.7	47%	0.474	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	40.6	-172.9	0	0	0	0	0	112.2	K250 E378 A379	K250-G382 VanDerWaalsContact NZ-N 3.15Å; E378-G382 VanDerWaalsContact O-CA 3.26Å; E378-G382 WeakPolarHBondContact O-CA 3.41Å; E378-G382 PolarHBondContact O-N 2.78Å; A379-G382 PolarHBondContact O-N 3.46Å
383	I	93	Very high	95.9	Very high	28 Å²	28	21.7 Å²	21.7	14%	0.144	12%	0.115	C	C	.	.			trans	-119.5	162.4	179.1	63.9	179.4	0	0	0	110.1	H273 Q354 E378 W386	H273-I383 PolarHBondContact CE1-O 3.42Å; H273-I383 VanDerWaalsContact CE1-O 3.24Å; Q354-I383 HydrophobicContact CG-CD1 4.05Å; E378-I383 WeakPolarHBondContact CB-O 3.49Å; E378-I383 HydrophobicContact CG-CG1 4.42Å; E378-I383 VanDerWaalsContact CG-O 3.31Å; E378-I383 WeakPolarHBondContact CG-O 3.49Å; E378-I383 PolarHBondContact O-N 3.06Å; I383-W386 HydrophobicContact CD1-CB 4.31Å
384	D	89.7	Confident	95.6	Very high	108 Å²	108	21.8 Å²	21.8	58%	0.578	12%	0.116	S	C	*	.	S	Bend	trans	-105.1	-7.3	-177.9	64.9	-19.3	0	0	0	114.1	K277 E378	K277-D384 PolarHBondContact NZ-O 3.36Å; E378-D384 VanDerWaalsContact OE1-O 3.12Å
385	Q	92	Very high	95.3	Very high	93 Å²	93	23.2 Å²	23.2	44%	0.435	13%	0.125	S	C	.	.			trans	-148.4	97.3	179.3	-175.2	173.3	-32.4	0	0	110.6	N388	Q385-N388 PolarHBondContact NE2-OD1 3.26Å
386	W	95.5	Very high	94.9	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.126	C	C	.	.	S	Bend	trans	-78.3	-46.8	172.2	171	38.4	0	0	0	112.1	A348 T349 K355 L356 E373 L374 T377 E378 I383	A348-W386 HydrophobicContact CB-CH2 4.23Å; A348-W386 HydrophobicContact CB-CZ2 3.76Å; T349-W386 HydrophobicContact CG2-CZ2 4.03Å; K355-W386 WeakPolarHBondContact CA-O 3.5Å; L356-W386 HydrophobicContact CD2-CZ2 4.29Å; L356-W386 PolarHBondContact N-O 3.43Å; E373-W386 HydrophobicContact CB-CH2 4.37Å; E373-W386 HydrophobicContact CB-CZ3 3.81Å; L374-W386 HydrophobicContact CD2-CB 4.42Å; L374-W386 HydrophobicContact CD2-CE3 4.12Å; T377-W386 HydrophobicContact CG2-CB 4.05Å; T377-W386 HydrophobicContact CG2-CD2 3.45Å; T377-W386 VanDerWaalsContact CG2-CD2 3.45Å; T377-W386 HydrophobicContact CG2-CE3 4.05Å; T377-W386 HydrophobicContact CG2-CG 3.42Å; T377-W386 VanDerWaalsContact CG2-CG 3.42Å; T377-W386 HydrophobicContact CG2-CZ2 4.42Å; E378-W386 HydrophobicContact CG-CB 4.41Å; I383-W386 HydrophobicContact CD1-CB 4.31Å
387	V	97.4	Very high	94.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.5	-174.1	-176.6	0	0	0	0	111	L356 H359 L374 F390	L356-V387 HydrophobicContact CB-CG2 4.28Å; L356-V387 HydrophobicContact CD2-CG2 4.13Å; L356-V387 WeakPolarHBondContact O-CA 3.35Å; H359-V387 HydrophobicContact CB-CB 4.4Å; H359-V387 HydrophobicContact CB-CG1 3.54Å; H359-V387 HydrophobicContact CB-CG2 3.98Å; L374-V387 HydrophobicContact CD2-CG2 4.35Å; V387-F390 HydrophobicContact CB-CD2 4.14Å; V387-F390 HydrophobicContact CB-CE2 3.45Å; V387-F390 VanDerWaalsContact CB-CE2 3.45Å; V387-F390 HydrophobicContact CB-CZ 3.65Å; V387-F390 HydrophobicContact CG1-CD2 3.9Å; V387-F390 HydrophobicContact CG1-CE1 4.38Å; V387-F390 HydrophobicContact CG1-CE2 3.7Å; V387-F390 HydrophobicContact CG1-CG 4.36Å; V387-F390 HydrophobicContact CG1-CZ 3.93Å; V387-F390 HydrophobicContact CG2-CE1 4.36Å; V387-F390 HydrophobicContact CG2-CE2 3.99Å; V387-F390 HydrophobicContact CG2-CZ 3.63Å
388	N	96.9	Very high	93.6	Very high	35 Å²	35	29.2 Å²	29.2	19%	0.187	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-46.2	177	-68.4	-25.5	0	0	0	113	N26 I38 L356 Q385	N26-N388 PolarHBondContact ND2-O 2.9Å; I38-N388 VanDerWaalsContact CG1-ND2 3.26Å; I38-N388 WeakPolarHBondContact CG1-ND2 3.48Å; L356-N388 PolarHBondContact O-N 3.39Å; Q385-N388 PolarHBondContact NE2-OD1 3.26Å
389	Y	98	Very high	92.3	Very high	21 Å²	21	33.3 Å²	33.3	8%	0.082	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.4	-175.4	-56	-88.1	0	0	0	111.9	N26 E33 L34 F35 I36 D357 I358 H359	N26-Y389 HydrophobicContact CB-CD1 4.4Å; E33-Y389 HydrophobicContact CB-CE1 3.98Å; L34-Y389 WeakPolarHBondContact O-CE1 3.43Å; L34-Y389 PolarHBondContact O-OH 3.13Å; F35-Y389 WeakPolarHBondContact CA-OH 3.21Å; F35-Y389 HydrophobicContact CD2-CD1 4.43Å; F35-Y389 AromaticContact CD2-CD2 3.87Å; F35-Y389 HydrophobicContact CD2-CD2 3.87Å; F35-Y389 HydrophobicContact CD2-CE1 4.29Å; F35-Y389 AromaticContact CD2-CE2 3.73Å; F35-Y389 HydrophobicContact CD2-CE2 3.73Å; F35-Y389 HydrophobicContact CD2-CG 4.25Å; F35-Y389 AromaticContact CD2-CZ 3.96Å; F35-Y389 AromaticContact CE2-CD2 3.92Å; F35-Y389 HydrophobicContact CE2-CD2 3.92Å; F35-Y389 HydrophobicContact CE2-CE2 4.03Å; I36-Y389 PolarHBondContact N-OH 3.06Å; D357-Y389 WeakPolarHBondContact O-CD2 3.44Å; D357-Y389 PolarHBondContact O-N 3.12Å; I358-Y389 WeakPolarHBondContact CA-O 3.43Å; H359-Y389 PolarHBondContact N-O 3.29Å
390	F	97.9	Very high	91	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.9	171.8	-82.5	-86.2	0	0	0	111.9	N26 S27 L28 L278 H359 H370 L374 V387 H392	N26-F390 PolarHBondContact OD1-N 3.43Å; S27-F390 VanDerWaalsContact CB-O 3.26Å; S27-F390 WeakPolarHBondContact CB-O 3.43Å; S27-F390 PolarHBondContact N-O 3.18Å; S27-F390 PolarHBondContact OG-O 3.29Å; L28-F390 HydrophobicContact CB-CD2 4.2Å; L278-F390 HydrophobicContact CD1-CD1 3.96Å; L278-F390 HydrophobicContact CD1-CD2 4.48Å; L278-F390 HydrophobicContact CD1-CE1 3.79Å; L278-F390 HydrophobicContact CD1-CE2 4.29Å; L278-F390 HydrophobicContact CD1-CG 4.3Å; L278-F390 HydrophobicContact CD1-CZ 3.97Å; L278-F390 HydrophobicContact CD2-CB 4.01Å; L278-F390 HydrophobicContact CD2-CD1 4.2Å; L278-F390 HydrophobicContact CD2-CD2 3.74Å; L278-F390 HydrophobicContact CD2-CE2 4.19Å; L278-F390 HydrophobicContact CD2-CG 3.72Å; H359-F390 HydrophobicContact CB-CD1 3.99Å; H359-F390 HydrophobicContact CB-CE1 3.81Å; H359-F390 HydrophobicContact CB-CZ 4.42Å; H359-F390 AromaticContact CD2-CE1 3.46Å; H359-F390 VanDerWaalsContact CD2-CE1 3.46Å; H359-F390 WeakPolarHBondContact CD2-CE1 3.23Å; H359-F390 AromaticContact CG-CE1 3.89Å; H359-F390 WeakPolarHBondContact O-CA 3.36Å; H370-F390 HydrophobicContact CB-CE1 4.03Å; H370-F390 AromaticContact ND1-CD1 3.98Å; L374-F390 HydrophobicContact CD1-CE2 3.79Å; L374-F390 HydrophobicContact CD1-CZ 3.67Å; L374-F390 HydrophobicContact CD2-CE2 3.84Å; L374-F390 HydrophobicContact CD2-CZ 3.65Å; L374-F390 HydrophobicContact CG-CE2 4.09Å; L374-F390 HydrophobicContact CG-CZ 3.61Å; V387-F390 HydrophobicContact CB-CD2 4.14Å; V387-F390 HydrophobicContact CB-CE2 3.45Å; V387-F390 VanDerWaalsContact CB-CE2 3.45Å; V387-F390 HydrophobicContact CB-CZ 3.65Å; V387-F390 HydrophobicContact CG1-CD2 3.9Å; V387-F390 HydrophobicContact CG1-CE1 4.38Å; V387-F390 HydrophobicContact CG1-CE2 3.7Å; V387-F390 HydrophobicContact CG1-CG 4.36Å; V387-F390 HydrophobicContact CG1-CZ 3.93Å; V387-F390 HydrophobicContact CG2-CE1 4.36Å; V387-F390 HydrophobicContact CG2-CE2 3.99Å; V387-F390 HydrophobicContact CG2-CZ 3.63Å; F390-H392 AromaticContact CD1-CE1 3.96Å
391	L	97.9	Very high	89.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.2	179	-50.3	-177.2	0	0	0	110	L24 Y25 W45 F67 L70 I358 H359 S360 G361 W434	L24-L391 HydrophobicContact CB-CD2 4.25Å; L24-L391 HydrophobicContact CD1-CD1 4.43Å; Y25-L391 WeakPolarHBondContact O-CD2 3.46Å; W45-L391 HydrophobicContact CH2-CD1 4.12Å; W45-L391 HydrophobicContact CZ2-CD1 3.97Å; F67-L391 HydrophobicContact CE1-CB 3.81Å; F67-L391 VanDerWaalsContact CZ-O 3.28Å; F67-L391 WeakPolarHBondContact CZ-O 3.43Å; L70-L391 HydrophobicContact CD2-CD1 3.94Å; I358-L391 HydrophobicContact CD1-CD1 4.46Å; I358-L391 HydrophobicContact CG2-CD1 3.61Å; I358-L391 HydrophobicContact CG2-CG 3.85Å; H359-L391 PolarHBondContact O-N 3.19Å; S360-L391 WeakPolarHBondContact CA-O 3.46Å; S360-L391 VanDerWaalsContact CB-O 3.28Å; S360-L391 WeakPolarHBondContact CB-O 3.4Å; G361-L391 PolarHBondContact N-O 3.36Å; L391-W434 HydrophobicContact CB-CH2 4Å; L391-W434 HydrophobicContact CB-CZ3 4.08Å; L391-W434 HydrophobicContact CD2-CH2 3.95Å; L391-W434 HydrophobicContact CD2-CZ2 4.46Å; L391-W434 HydrophobicContact CG-CH2 4.48Å
392	H	97.3	Very high	88.4	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.9	178.5	-62.3	85.8	0	0	0	111.1	S27 G361 G362 R366 H370 F390 W434	S27-H392 WeakPolarHBondContact CB-ND1 3.41Å; S27-H392 PolarHBondContact OG-ND1 2.64Å; G361-H392 VanDerWaalsContact O-CA 3.29Å; G361-H392 WeakPolarHBondContact O-CA 3.33Å; G362-H392 PolarHBondContact O-CD2 3.34Å; R366-H392 WeakPolarHBondContact CA-NE2 3.49Å; R366-H392 WeakPolarHBondContact CB-NE2 3.49Å; H370-H392 AromaticContact CE1-CD2 3.76Å; H370-H392 AromaticContact CE1-NE2 3.41Å; H370-H392 PolarHBondContact CE1-NE2 3.46Å; H370-H392 AromaticContact CG-NE2 3.9Å; H370-H392 AromaticContact ND1-CD2 3.62Å; H370-H392 AromaticContact ND1-CE1 3.66Å; H370-H392 AromaticContact ND1-NE2 2.81Å; H370-H392 PolarHBondContact ND1-NE2 3.35Å; F390-H392 AromaticContact CD1-CE1 3.96Å; H392-W434 WeakPolarHBondContact O-CZ3 3.35Å
393	A	95.6	Very high	87.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	138.9	178.3	0	0	0	0	0	110.7	F67 G361 F363	F67-A393 HydrophobicContact CE2-CB 3.78Å; F67-A393 HydrophobicContact CZ-CB 3.79Å; G361-A393 PolarHBondContact O-N 3.09Å; F363-A393 WeakPolarHBondContact CB-O 3.12Å; F363-A393 PolarHBondContact N-O 3.49Å
394	G	91.6	Very high	86.1	Confident	2 Å²	2	40 Å²	40	2%	0.021	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-68.1	153.2	179.5	0	0	0	0	0	113	W434 S435 D436	G394-W434 PolarHBondContact N-O 3.35Å; G394-S435 VanDerWaalsContact CA-O 3.3Å; G394-S435 WeakPolarHBondContact CA-O 3.45Å; G394-D436 WeakPolarHBondContact CA-O 3.28Å
395	T	88.6	Confident	85.2	Confident	36 Å²	36	36.3 Å²	36.3	22%	0.221	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-71.3	158.2	-175.7	67.1	0	0	0	0	113.2	F363 T437 L438	F363-T395 HydrophobicContact CB-CG2 3.91Å; F363-T395 HydrophobicContact CD1-CG2 4.18Å; F363-T395 HydrophobicContact CG-CG2 4.3Å; T395-T437 CarbonylContact O-C 3.58Å; T395-T437 VanDerWaalsContact O-CA 3.29Å; T395-T437 WeakPolarHBondContact O-CA 3.4Å; T395-T437 WeakPolarHBondContact OG1-CG2 3.34Å; T395-T437 PolarHBondContact OG1-OG1 2.91Å; T395-T437 VanDerWaalsContact OG1-OG1 3.13Å; T395-L438 PolarHBondContact O-N 2.79Å
396	L	88.4	Confident	84.1	Confident	9 Å²	9	35.2 Å²	35.2	5%	0.047	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.3	173.1	-164.8	71.4	0	0	0	110.3	M58 R62 M403 L438	M58-L396 HydrophobicContact CB-CD2 3.5Å; M58-L396 VanDerWaalsContact CB-CD2 3.5Å; M58-L396 WeakPolarHBondContact O-CD2 3.35Å; R62-L396 HydrophobicContact CB-CB 4.49Å; L396-M403 HydrophobicContact CB-CE 4.36Å; L396-M403 HydrophobicContact CD2-CE 3.48Å; L396-M403 VanDerWaalsContact CD2-CE 3.48Å; L396-M403 HydrophobicContact CG-CE 4Å; L396-L438 WeakPolarHBondContact CA-O 3.26Å; L396-L438 HydrophobicContact CD1-CB 3.79Å; L396-L438 HydrophobicContact CD1-CD2 3.62Å; L396-L438 HydrophobicContact CD1-CG 3.66Å
397	K	86.5	Confident	82.7	Confident	82 Å²	82	37.1 Å²	37.1	36%	0.357	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	149.8	171.4	-66.4	-179.2	176.5	-178.5	0	109.9	L401 T437 L438 Y440	K397-L401 CarbonylContact C-O 3.43Å; K397-L401 VanDerWaalsContact CA-O 3.23Å; K397-L401 WeakPolarHBondContact CA-O 3.45Å; K397-L401 WeakPolarHBondContact CB-O 3.37Å; K397-T437 HydrophobicContact CD-CG2 3.86Å; K397-T437 HydrophobicContact CG-CG2 3.95Å; K397-L438 PolarHBondContact N-O 3.13Å; K397-Y440 WeakPolarHBondContact O-CB 3.49Å; K397-Y440 PolarHBondContact O-N 3.06Å
398	I	80.4	Confident	81.4	Confident	37 Å²	37	41.5 Å²	41.5	19%	0.19	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.7	169	-65.2	172	0	0	0	107.2	G400 L401 M403 I411 Y440	I398-G400 PolarHBondContact O-N 2.93Å; I398-L401 PolarHBondContact N-O 3.45Å; I398-L401 PolarHBondContact O-N 3.08Å; I398-M403 HydrophobicContact CD1-CE 3.26Å; I398-M403 HydrophobicContact CD1-CG 4.35Å; I398-M403 HydrophobicContact CD1-SD 4.19Å; I398-M403 HydrophobicContact CG1-CE 3.52Å; I398-I411 HydrophobicContact CD1-CB 4.29Å; I398-I411 HydrophobicContact CD1-CD1 3.56Å; I398-I411 HydrophobicContact CD1-CG1 3.68Å; I398-Y440 HydrophobicContact CG1-CD1 4.08Å
399	A	70.4	Confident	80.3	Confident	88 Å²	88	42.1 Å²	42.1	73%	0.727	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	40.9	-179.3	0	0	0	0	0	112.1	L401 D439	A399-L401 VanDerWaalsContact C-N 3.27Å; A399-L401 PolarHBondContact O-N 2.87Å; A399-D439 PolarHBondContact N-OD1 2.93Å
400	G	69.3	Low	79.4	Confident	45 Å²	45	43.1 Å²	43.1	46%	0.464	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-13.6	-178.4	0	0	0	0	0	116.4	I398 D439	I398-G400 PolarHBondContact O-N 2.93Å; G400-D439 PolarHBondContact N-OD1 3.37Å
401	L	68.6	Low	78.9	Confident	109 Å²	109	45.3 Å²	45.3	57%	0.571	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	141	178	-64.3	175	0	0	0	111.5	K397 I398 A399 M403	K397-L401 CarbonylContact C-O 3.43Å; K397-L401 VanDerWaalsContact CA-O 3.23Å; K397-L401 WeakPolarHBondContact CA-O 3.45Å; K397-L401 WeakPolarHBondContact CB-O 3.37Å; I398-L401 PolarHBondContact N-O 3.45Å; I398-L401 PolarHBondContact O-N 3.08Å; A399-L401 VanDerWaalsContact C-N 3.27Å; A399-L401 PolarHBondContact O-N 2.87Å; L401-M403 PolarHBondContact O-N 3Å
402	K	68.2	Low	78.6	Confident	133 Å²	133	46.2 Å²	46.2	58%	0.578	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	129.6	171.7	-175.5	-179.4	178.2	-176.1	0	108.5	N409	K402-N409 PolarHBondContact O-ND2 3.28Å
403	M	70.6	Confident	78.5	Confident	16 Å²	16	46.1 Å²	46.1	8%	0.079	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-75.3	124.2	172	-166.3	-176.6	-43.8	0	0	109.4	H57 M58 L396 I398 L401 F410	H57-M403 HydrophobicContact CB-SD 4.23Å; M58-M403 HydrophobicContact CB-CE 3.82Å; M58-M403 HydrophobicContact CB-SD 4.1Å; L396-M403 HydrophobicContact CB-CE 4.36Å; L396-M403 HydrophobicContact CD2-CE 3.48Å; L396-M403 VanDerWaalsContact CD2-CE 3.48Å; L396-M403 HydrophobicContact CG-CE 4Å; I398-M403 HydrophobicContact CD1-CE 3.26Å; I398-M403 HydrophobicContact CD1-CG 4.35Å; I398-M403 HydrophobicContact CD1-SD 4.19Å; I398-M403 HydrophobicContact CG1-CE 3.52Å; L401-M403 PolarHBondContact O-N 3Å; M403-F410 HydrophobicContact CG-CB 3.55Å; M403-F410 HydrophobicContact SD-CB 3.81Å
404	S	68.2	Low	78.4	Confident	21 Å²	21	50.1 Å²	50.1	15%	0.147	28%	0.276	C	S	.	.			trans	-145.7	147.6	170.9	75.9	0	0	0	0	112	S406 L407 K408 N409	S404-S406 PolarHBondContact O-N 3.43Å; S404-S406 PolarHBondContact OG-OG 3.36Å; S404-L407 PolarHBondContact O-N 2.87Å; S404-L407 WeakPolarHBondContact OG-CB 3.45Å; S404-L407 VanDerWaalsContact OG-CG 3.29Å; S404-L407 WeakPolarHBondContact OG-CG 3.38Å; S404-L407 PolarHBondContact OG-N 3.35Å; S404-L407 VanDerWaalsContact OG-N 3.16Å; S404-K408 PolarHBondContact O-N 2.87Å; S404-N409 PolarHBondContact N-OD1 3.44Å; S404-N409 PolarHBondContact O-OD1 2.91Å
405	K	70.8	Confident	78.4	Confident	31 Å²	31	54.6 Å²	54.6	14%	0.135	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-60.7	-35	171.1	-73.3	-177.2	170.3	-172	0	111.7	Y53 D54 V55 L407 K408 F410	Y53-K405 HydrophobicContact CE2-CD 4.23Å; Y53-K405 WeakPolarHBondContact OH-CD 3.25Å; D54-K405 PolarHBondContact O-NZ 2.98Å; V55-K405 WeakPolarHBondContact O-CE 3.46Å; V55-K405 PolarHBondContact O-NZ 3.31Å; K405-L407 VanDerWaalsContact C-N 3.29Å; K405-L407 PolarHBondContact O-N 3.39Å; K405-K408 PolarHBondContact O-N 3.22Å; K405-K408 VanDerWaalsContact O-N 3.08Å; K405-F410 HydrophobicContact CB-CD1 4.46Å; K405-F410 HydrophobicContact CB-CE1 4.33Å; K405-F410 HydrophobicContact CG-CD1 4.15Å; K405-F410 HydrophobicContact CG-CE1 4.07Å; K405-F410 HydrophobicContact CG-CZ 4.43Å
406	S	67.3	Low	78.5	Confident	70 Å²	70	53 Å²	53	49%	0.49	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-63.7	-28.5	178.4	56.5	0	0	0	0	114.3	S404	S404-S406 PolarHBondContact O-N 3.43Å; S404-S406 PolarHBondContact OG-OG 3.36Å
407	L	66.1	Low	78.7	Confident	42 Å²	42	54.9 Å²	54.9	22%	0.22	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-92.7	-4.2	175.7	-67.6	178	0	0	0	112.9	D140 K141 S404 K405 N409	D140-L407 HydrophobicContact CB-CD2 3.47Å; D140-L407 VanDerWaalsContact CB-CD2 3.47Å; K141-L407 HydrophobicContact CG-CD2 4.29Å; S404-L407 PolarHBondContact O-N 2.87Å; S404-L407 WeakPolarHBondContact OG-CB 3.45Å; S404-L407 VanDerWaalsContact OG-CG 3.29Å; S404-L407 WeakPolarHBondContact OG-CG 3.38Å; S404-L407 PolarHBondContact OG-N 3.35Å; S404-L407 VanDerWaalsContact OG-N 3.16Å; K405-L407 VanDerWaalsContact C-N 3.29Å; K405-L407 PolarHBondContact O-N 3.39Å; L407-N409 HydrophobicContact CB-CB 4.28Å; L407-N409 PolarHBondContact O-N 3.47Å
408	K	70.6	Confident	79	Confident	93 Å²	93	59.6 Å²	59.6	40%	0.404	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	27.6	-172.1	-66.4	-175.6	-179.3	175.7	0	113.6	M144 Q148 D184 S404 K405	M144-K408 HydrophobicContact CG-CB 4.28Å; M144-K408 HydrophobicContact CG-CD 4.18Å; M144-K408 HydrophobicContact CG-CG 4.38Å; M144-K408 HydrophobicContact SD-CB 4.06Å; M144-K408 HydrophobicContact SD-CD 3.66Å; M144-K408 HydrophobicContact SD-CG 3.64Å; Q148-K408 VanDerWaalsContact CD-NZ 3.28Å; D184-K408 IonicContact OD2-NZ 2.78Å; D184-K408 PolarHBondContact OD2-NZ 2.66Å; S404-K408 PolarHBondContact O-N 2.87Å; K405-K408 PolarHBondContact O-N 3.22Å; K405-K408 VanDerWaalsContact O-N 3.08Å
409	N	73.2	Confident	79.3	Confident	49 Å²	49	63.7 Å²	63.7	26%	0.262	34%	0.336	S	S	.	.			trans	-100.8	24.2	-179.5	71.8	-14.2	0	0	0	112.3	K402 S404 L407	K402-N409 PolarHBondContact O-ND2 3.28Å; S404-N409 PolarHBondContact N-OD1 3.44Å; S404-N409 PolarHBondContact O-OD1 2.91Å; L407-N409 HydrophobicContact CB-CB 4.28Å; L407-N409 PolarHBondContact O-N 3.47Å
410	F	79.9	Confident	80.3	Confident	42 Å²	42	61 Å²	61	18%	0.184	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-96.7	148.8	-175.3	65.2	-89.3	0	0	0	112.3	V55 H57 M403 K405 T412	V55-F410 HydrophobicContact CG2-CE2 4.29Å; H57-F410 HydrophobicContact CB-CB 4.04Å; H57-F410 HydrophobicContact CB-CD2 3.75Å; H57-F410 HydrophobicContact CB-CG 4.24Å; M403-F410 HydrophobicContact CG-CB 3.55Å; M403-F410 HydrophobicContact SD-CB 3.81Å; K405-F410 HydrophobicContact CB-CD1 4.46Å; K405-F410 HydrophobicContact CB-CE1 4.33Å; K405-F410 HydrophobicContact CG-CD1 4.15Å; K405-F410 HydrophobicContact CG-CE1 4.07Å; K405-F410 HydrophobicContact CG-CZ 4.43Å; F410-T412 HydrophobicContact CD2-CG2 4.14Å; F410-T412 HydrophobicContact CE2-CG2 3.8Å
411	I	87.4	Confident	81.3	Confident	45 Å²	45	61.6 Å²	61.6	23%	0.231	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-101	122.7	170.1	-61.6	172.6	0	0	0	106.8	H57 M58 I398 Q415 C416 Y440	H57-I411 WeakPolarHBondContact CA-O 3.15Å; H57-I411 WeakPolarHBondContact CB-O 3.29Å; M58-I411 HydrophobicContact CG-CB 4.22Å; M58-I411 HydrophobicContact CG-CG2 4.21Å; M58-I411 PolarHBondContact N-O 3.47Å; I398-I411 HydrophobicContact CD1-CB 4.29Å; I398-I411 HydrophobicContact CD1-CD1 3.56Å; I398-I411 HydrophobicContact CD1-CG1 3.68Å; I411-Q415 HydrophobicContact CG2-CB 4.04Å; I411-C416 HydrophobicContact CG2-CB 4.07Å; I411-Y440 HydrophobicContact CD1-CD1 4.39Å; I411-Y440 HydrophobicContact CD1-CE1 3.87Å
412	T	92.2	Very high	82.4	Confident	19 Å²	19	57.5 Å²	57.5	12%	0.117	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-67.3	154.9	174.6	61.6	0	0	0	0	110.7	V55 A56 F410 K414 Q415 C416	V55-T412 HydrophobicContact CB-CG2 4.45Å; V55-T412 HydrophobicContact CG2-CG2 3.59Å; A56-T412 WeakPolarHBondContact O-CA 3.43Å; F410-T412 HydrophobicContact CD2-CG2 4.14Å; F410-T412 HydrophobicContact CE2-CG2 3.8Å; T412-K414 VanDerWaalsContact C-N 3.28Å; T412-K414 PolarHBondContact O-N 3.26Å; T412-Q415 PolarHBondContact O-N 3.04Å; T412-Q415 VanDerWaalsContact OG1-CB 3.28Å; T412-Q415 WeakPolarHBondContact OG1-CB 3.34Å; T412-Q415 WeakPolarHBondContact OG1-CG 3.37Å; T412-Q415 PolarHBondContact OG1-N 3.14Å; T412-Q415 VanDerWaalsContact OG1-N 3.12Å; T412-Q415 PolarHBondContact OG1-OE1 2.97Å; T412-C416 PolarHBondContact O-N 3.45Å
413	I	93.9	Very high	83.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-46	176.4	-65.6	174.6	0	0	0	110.1	A56 A61 D218 M219 L222 Q415 C416 L417	A56-I413 HydrophobicContact CB-CD1 3.67Å; A56-I413 HydrophobicContact CB-CG1 4.42Å; A56-I413 PolarHBondContact O-N 3.42Å; A56-I413 VanDerWaalsContact O-N 3.15Å; A61-I413 HydrophobicContact CB-CD1 4.01Å; A61-I413 HydrophobicContact CB-CG1 4.04Å; D218-I413 HydrophobicContact CB-CB 4.37Å; D218-I413 HydrophobicContact CB-CD1 4.07Å; D218-I413 HydrophobicContact CB-CG2 4.15Å; M219-I413 HydrophobicContact CE-CD1 3.64Å; L222-I413 HydrophobicContact CD1-CD1 3.84Å; L222-I413 HydrophobicContact CD1-CG1 4.33Å; L222-I413 HydrophobicContact CD1-CG2 3.67Å; L222-I413 HydrophobicContact CD2-CG2 4.11Å; L222-I413 HydrophobicContact CG-CG2 3.9Å; I413-Q415 PolarHBondContact O-N 3.4Å; I413-C416 WeakPolarHBondContact O-CB 3.44Å; I413-C416 PolarHBondContact O-N 3.08Å; I413-C416 VanDerWaalsContact O-N 3.13Å; I413-L417 HydrophobicContact CG2-CD1 3.77Å; I413-L417 HydrophobicContact CG2-CG 4.23Å; I413-L417 WeakPolarHBondContact O-CG 3.21Å; I413-L417 PolarHBondContact O-N 2.84Å
414	K	93.9	Very high	84.7	Confident	83 Å²	83	54.6 Å²	54.6	36%	0.361	27%	0.269	S	S	.	.	H	α-helix	trans	-58.9	-40.9	177.1	-65	175.3	-179.3	164.9	0	113.7	D214 D218 T412 L417 K418	D214-K414 IonicContact OD1-NZ 2.71Å; D214-K414 PolarHBondContact OD1-NZ 3.29Å; D214-K414 IonicContact OD2-NZ 3.54Å; D214-K414 PolarHBondContact OD2-NZ 3.48Å; D218-K414 WeakPolarHBondContact OD1-CE 3.36Å; D218-K414 VanDerWaalsContact OD1-CG 3.29Å; D218-K414 WeakPolarHBondContact OD1-CG 3.36Å; T412-K414 VanDerWaalsContact C-N 3.28Å; T412-K414 PolarHBondContact O-N 3.26Å; K414-L417 PolarHBondContact O-N 2.99Å; K414-K418 WeakPolarHBondContact O-CG 3.31Å; K414-K418 PolarHBondContact O-N 3.27Å
415	Q	91.8	Very high	85.9	Confident	97 Å²	97	53.6 Å²	53.6	45%	0.453	26%	0.262	S	S	.	.	H	α-helix	trans	-63.9	-44.8	175	-78.7	162.6	-26.8	0	0	110.8	I411 T412 I413 L417 K418	I411-Q415 HydrophobicContact CG2-CB 4.04Å; T412-Q415 PolarHBondContact O-N 3.04Å; T412-Q415 VanDerWaalsContact OG1-CB 3.28Å; T412-Q415 WeakPolarHBondContact OG1-CB 3.34Å; T412-Q415 WeakPolarHBondContact OG1-CG 3.37Å; T412-Q415 PolarHBondContact OG1-N 3.14Å; T412-Q415 VanDerWaalsContact OG1-N 3.12Å; T412-Q415 PolarHBondContact OG1-OE1 2.97Å; I413-Q415 PolarHBondContact O-N 3.4Å; Q415-L417 VanDerWaalsContact C-N 3.32Å; Q415-L417 PolarHBondContact O-N 3.43Å; Q415-K418 WeakPolarHBondContact O-CB 3.4Å; Q415-K418 PolarHBondContact O-N 3.43Å
416	C	91.8	Very high	87.1	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-38.2	178.5	-165.3	0	0	0	0	112.2	M58 I411 T412 I413 K418 E419 Y420 L425 Y440	M58-C416 HydrophobicContact CG-CB 4.03Å; M58-C416 HydrophobicContact SD-CB 3.53Å; M58-C416 VanDerWaalsContact SD-CB 3.53Å; M58-C416 VanDerWaalsContact SD-SG 3.64Å; I411-C416 HydrophobicContact CG2-CB 4.07Å; T412-C416 PolarHBondContact O-N 3.45Å; I413-C416 WeakPolarHBondContact O-CB 3.44Å; I413-C416 PolarHBondContact O-N 3.08Å; I413-C416 VanDerWaalsContact O-N 3.13Å; C416-K418 PolarHBondContact O-N 3.27Å; C416-E419 PolarHBondContact O-N 3.43Å; C416-Y420 PolarHBondContact O-N 3.2Å; C416-L425 HydrophobicContact CB-CD1 4.45Å; C416-L425 WeakPolarHBondContact SG-CD2 3.48Å; C416-Y440 PolarHBondContact SG-OH 2.87Å
417	L	92.4	Very high	88.5	Confident	50 Å²	50	48.9 Å²	48.9	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-69.2	-14	177.6	-72.9	175.8	0	0	0	114.1	A221 L222 I413 K414 Q415 Y420 A422 L425	A221-L417 HydrophobicContact CB-CD1 3.85Å; L222-L417 HydrophobicContact CD2-CD1 4.36Å; L222-L417 HydrophobicContact CD2-CD2 4.04Å; L222-L417 HydrophobicContact CD2-CG 4.44Å; I413-L417 HydrophobicContact CG2-CD1 3.77Å; I413-L417 HydrophobicContact CG2-CG 4.23Å; I413-L417 WeakPolarHBondContact O-CG 3.21Å; I413-L417 PolarHBondContact O-N 2.84Å; K414-L417 PolarHBondContact O-N 2.99Å; Q415-L417 VanDerWaalsContact C-N 3.32Å; Q415-L417 PolarHBondContact O-N 3.43Å; L417-Y420 CarbonylContact C-O 3.56Å; L417-Y420 WeakPolarHBondContact CA-O 3.44Å; L417-A422 HydrophobicContact CD2-CB 3.99Å; L417-L425 HydrophobicContact CD2-CD1 3.97Å
418	K	91.2	Very high	89.9	Confident	180 Å²	180	46.9 Å²	46.9	78%	0.783	22%	0.222	S	C	*	.	H	α-helix	trans	-75.2	-29	168.5	-68.7	174.9	-176.8	-174.9	0	112.2	K414 Q415 C416	K414-K418 WeakPolarHBondContact O-CG 3.31Å; K414-K418 PolarHBondContact O-N 3.27Å; Q415-K418 WeakPolarHBondContact O-CB 3.4Å; Q415-K418 PolarHBondContact O-N 3.43Å; C416-K418 PolarHBondContact O-N 3.27Å
419	E	87.6	Confident	91.1	Very high	123 Å²	123	42.6 Å²	42.6	58%	0.575	20%	0.204	S	C	*	.	H	α-helix	trans	-95.3	-36.7	-177.7	-66.6	-173.2	-148.9	0	0	112.7	C416	C416-E419 PolarHBondContact O-N 3.43Å
420	Y	90.8	Very high	92.3	Very high	31 Å²	31	40.3 Å²	40.3	12%	0.122	19%	0.191	C	C	.	.	S	Bend	trans	-134.2	152.4	-173.2	-58.6	-72.7	0	0	0	111.7	C416 L417 Y440 M445 I449	C416-Y420 PolarHBondContact O-N 3.2Å; L417-Y420 CarbonylContact C-O 3.56Å; L417-Y420 WeakPolarHBondContact CA-O 3.44Å; Y420-Y440 WeakPolarHBondContact CE2-OH 3.41Å; Y420-M445 HydrophobicContact CD1-CB 4.41Å; Y420-M445 HydrophobicContact CD1-CE 3.68Å; Y420-M445 HydrophobicContact CD1-CG 4.45Å; Y420-M445 HydrophobicContact CD2-CE 4.28Å; Y420-M445 HydrophobicContact CD2-CG 4.28Å; Y420-M445 HydrophobicContact CE1-CB 3.82Å; Y420-M445 HydrophobicContact CE1-CE 4.21Å; Y420-M445 HydrophobicContact CE1-CG 4.12Å; Y420-M445 HydrophobicContact CE2-CB 4.45Å; Y420-M445 HydrophobicContact CE2-CG 3.93Å; Y420-M445 HydrophobicContact CG-CE 3.7Å; Y420-I449 HydrophobicContact CD1-CD1 4.13Å; Y420-I449 HydrophobicContact CE1-CD1 3.94Å
421	T	90.7	Very high	93	Very high	59 Å²	59	39.4 Å²	39.4	36%	0.362	19%	0.188	S	C	.	.			trans	-76.3	153.7	176.2	71.5	0	0	0	0	111.2	R423 Q424 L425	T421-R423 PolarHBondContact O-N 3.36Å; T421-Q424 WeakPolarHBondContact O-CB 3.42Å; T421-Q424 PolarHBondContact O-N 3.46Å; T421-Q424 VanDerWaalsContact OG1-CG 3.24Å; T421-Q424 WeakPolarHBondContact OG1-CG 2.96Å; T421-Q424 PolarHBondContact OG1-N 3Å; T421-Q424 VanDerWaalsContact OG1-N 3.13Å; T421-L425 PolarHBondContact O-N 2.87Å; T421-L425 VanDerWaalsContact O-N 3.09Å
422	A	92.3	Very high	93.3	Very high	22 Å²	22	40.2 Å²	40.2	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-55.1	-37	173	0	0	0	0	0	112.4	A221 L222 L417 L425 R426	A221-A422 WeakPolarHBondContact O-CB 3.22Å; L222-A422 HydrophobicContact CD2-CB 4.32Å; L417-A422 HydrophobicContact CD2-CB 3.99Å; A422-L425 PolarHBondContact O-N 3.13Å; A422-R426 WeakPolarHBondContact O-CB 3.31Å; A422-R426 PolarHBondContact O-N 3.05Å
423	R	92.1	Very high	93.4	Very high	62 Å²	62	41.4 Å²	41.4	23%	0.234	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-45	175.1	-174.2	168.5	62.5	-139.1	0.5	112.2	T421 R426 L427 E452 V558	T421-R423 PolarHBondContact O-N 3.36Å; R423-R426 PolarHBondContact O-N 2.92Å; R423-L427 HydrophobicContact CG-CD1 4.46Å; R423-L427 WeakPolarHBondContact O-CG 3.29Å; R423-L427 PolarHBondContact O-N 2.96Å; R423-E452 IonicContact CZ-OE1 3.33Å; R423-E452 IonicContact NE-OE1 3.75Å; R423-E452 PolarHBondContact NE-OE1 3.46Å; R423-E452 IonicContact NH2-OE1 3.82Å; R423-E452 PolarHBondContact NH2-OE1 3.22Å; R423-V558 VanDerWaalsContact CD-O 3.27Å; R423-V558 WeakPolarHBondContact CD-O 3.34Å; R423-V558 HydrophobicContact CG-CG1 3.52Å; R423-V558 VanDerWaalsContact CG-O 3.29Å; R423-V558 WeakPolarHBondContact CG-O 3.1Å
424	Q	94	Very high	93.5	Very high	27 Å²	27	41.9 Å²	41.9	13%	0.126	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-42.1	176.9	-73.8	164.1	-7.1	0	0	112.2	T421 R426 L427 L428 M445 I449 E452	T421-Q424 WeakPolarHBondContact O-CB 3.42Å; T421-Q424 PolarHBondContact O-N 3.46Å; T421-Q424 VanDerWaalsContact OG1-CG 3.24Å; T421-Q424 WeakPolarHBondContact OG1-CG 2.96Å; T421-Q424 PolarHBondContact OG1-N 3Å; T421-Q424 VanDerWaalsContact OG1-N 3.13Å; Q424-R426 VanDerWaalsContact C-N 3.33Å; Q424-R426 PolarHBondContact O-N 3.28Å; Q424-L427 PolarHBondContact O-N 3.01Å; Q424-L428 PolarHBondContact O-N 2.91Å; Q424-M445 HydrophobicContact CB-CE 3.79Å; Q424-I449 HydrophobicContact CG-CG1 4.13Å; Q424-E452 WeakPolarHBondContact CG-OE2 3.33Å; Q424-E452 PolarHBondContact NE2-OE2 3.05Å
425	L	94.5	Very high	93.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-41	176.2	-62.1	178.6	0	0	0	111.7	M58 L222 C416 L417 T421 A422 L428 F429 M445	M58-L425 HydrophobicContact CE-CD1 4.34Å; M58-L425 HydrophobicContact CE-CD2 3.97Å; M58-L425 HydrophobicContact SD-CD1 4.39Å; L222-L425 HydrophobicContact CD2-CD1 4.03Å; C416-L425 HydrophobicContact CB-CD1 4.45Å; C416-L425 WeakPolarHBondContact SG-CD2 3.48Å; L417-L425 HydrophobicContact CD2-CD1 3.97Å; T421-L425 PolarHBondContact O-N 2.87Å; T421-L425 VanDerWaalsContact O-N 3.09Å; A422-L425 PolarHBondContact O-N 3.13Å; L425-L428 WeakPolarHBondContact O-CB 3.47Å; L425-L428 PolarHBondContact O-N 3.19Å; L425-F429 WeakPolarHBondContact O-CG 3.47Å; L425-F429 PolarHBondContact O-N 3.3Å; L425-M445 HydrophobicContact CD2-CE 3.91Å; L425-M445 HydrophobicContact CD2-SD 3.8Å
426	R	96.1	Very high	93.5	Very high	1 Å²	1	39 Å²	39	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-42.3	176.1	-175.5	174.2	-78.7	-112	0.7	112.2	I65 D68 I69 L222 N223 A422 R423 Q424 L428 F429 L430 F556 G557 V558	I65-R426 HydrophobicContact CG2-CB 4.44Å; I65-R426 HydrophobicContact CG2-CG 4.07Å; D68-R426 IonicContact OD2-CZ 3.92Å; D68-R426 VanDerWaalsContact OD2-CZ 3.26Å; D68-R426 IonicContact OD2-NH1 2.8Å; D68-R426 PolarHBondContact OD2-NH1 2.77Å; D68-R426 IonicContact OD2-NH2 3.56Å; D68-R426 PolarHBondContact OD2-NH2 3.22Å; I69-R426 HydrophobicContact CD1-CG 4.45Å; L222-R426 PolarHBondContact O-NH2 3.44Å; N223-R426 PolarHBondContact O-NH2 3.36Å; A422-R426 WeakPolarHBondContact O-CB 3.31Å; A422-R426 PolarHBondContact O-N 3.05Å; R423-R426 PolarHBondContact O-N 2.92Å; Q424-R426 VanDerWaalsContact C-N 3.33Å; Q424-R426 PolarHBondContact O-N 3.28Å; R426-L428 VanDerWaalsContact C-N 3.35Å; R426-F429 PolarHBondContact O-N 3.28Å; R426-F429 VanDerWaalsContact O-N 3.16Å; R426-L430 HydrophobicContact CG-CD1 4.2Å; R426-L430 WeakPolarHBondContact O-CG 3.5Å; R426-L430 PolarHBondContact O-N 3.2Å; R426-F556 WeakPolarHBondContact CD-O 3.35Å; R426-F556 PolarHBondContact NH1-O 2.72Å; R426-G557 WeakPolarHBondContact CD-O 3.24Å; R426-G557 PolarHBondContact NE-O 2.93Å; R426-G557 VanDerWaalsContact NH1-CA 3.34Å; R426-V558 HydrophobicContact CG-CG2 4.48Å
427	L	96.3	Very high	93.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-42.7	173.2	-75.3	173.7	0	0	0	111.8	R423 Q424 F429 L430 M431 A448 F451 E452 V558	R423-L427 HydrophobicContact CG-CD1 4.46Å; R423-L427 WeakPolarHBondContact O-CG 3.29Å; R423-L427 PolarHBondContact O-N 2.96Å; Q424-L427 PolarHBondContact O-N 3.01Å; L427-F429 VanDerWaalsContact C-N 3.3Å; L427-F429 PolarHBondContact O-N 3Å; L427-L430 HydrophobicContact CD2-CD1 4.24Å; L427-L430 PolarHBondContact O-N 2.88Å; L427-M431 VanDerWaalsContact O-CG 3.26Å; L427-M431 WeakPolarHBondContact O-CG 3.46Å; L427-M431 PolarHBondContact O-N 3.3Å; L427-A448 HydrophobicContact CB-CB 4.09Å; L427-F451 HydrophobicContact CD1-CD1 4.36Å; L427-F451 HydrophobicContact CD2-CD1 3.8Å; L427-F451 HydrophobicContact CD2-CE1 3.92Å; L427-E452 HydrophobicContact CD1-CB 3.65Å; L427-E452 HydrophobicContact CD1-CG 4.17Å; L427-V558 HydrophobicContact CD1-CG1 4.34Å; L427-V558 HydrophobicContact CD2-CG1 3.97Å; L427-V558 HydrophobicContact CD2-CG2 3.84Å; L427-V558 HydrophobicContact CG-CG1 4.07Å; L427-V558 HydrophobicContact CG-CG2 4.38Å
428	L	96	Very high	93.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-53.3	-51.4	171.5	170.9	68.2	0	0	0	109.8	Q424 L425 R426 L430 M431 H432 L438 Y440 M445 A448	Q424-L428 PolarHBondContact O-N 2.91Å; L425-L428 WeakPolarHBondContact O-CB 3.47Å; L425-L428 PolarHBondContact O-N 3.19Å; R426-L428 VanDerWaalsContact C-N 3.35Å; L428-L430 VanDerWaalsContact C-N 3.34Å; L428-L430 PolarHBondContact O-N 3.41Å; L428-M431 PolarHBondContact O-N 2.99Å; L428-H432 PolarHBondContact O-CD2 2.92Å; L428-H432 VanDerWaalsContact O-CD2 3.26Å; L428-L438 HydrophobicContact CD1-CD1 4.5Å; L428-L438 HydrophobicContact CD2-CD2 4.18Å; L428-L438 HydrophobicContact CG-CD2 4.21Å; L428-Y440 HydrophobicContact CD2-CD2 4Å; L428-Y440 HydrophobicContact CD2-CE2 4.44Å; L428-M445 HydrophobicContact CB-SD 4.01Å; L428-M445 HydrophobicContact CD2-CG 4.49Å; L428-M445 HydrophobicContact CD2-SD 3.44Å; L428-M445 WeakPolarHBondContact CD2-SD 3.36Å; L428-M445 HydrophobicContact CG-SD 4.21Å; L428-A448 HydrophobicContact CB-CB 4.01Å
429	F	96	Very high	93.3	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.013	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-31.6	-176.9	-63.1	-18.7	0	0	0	113.9	M58 A61 R62 I65 L425 R426 L427 M431 H432 L438	M58-F429 HydrophobicContact CE-CZ 3.92Å; A61-F429 HydrophobicContact CB-CE2 4.3Å; R62-F429 HydrophobicContact CB-CE1 4.39Å; R62-F429 HydrophobicContact CB-CE2 4.26Å; R62-F429 HydrophobicContact CB-CZ 3.99Å; R62-F429 PolarHBondContact NH1-O 3.27Å; I65-F429 HydrophobicContact CB-CD2 3.78Å; I65-F429 HydrophobicContact CB-CE2 4.25Å; I65-F429 HydrophobicContact CD1-CD2 3.88Å; I65-F429 HydrophobicContact CD1-CE2 3.82Å; I65-F429 HydrophobicContact CG1-CD2 4.37Å; I65-F429 HydrophobicContact CG1-CE2 4.47Å; I65-F429 HydrophobicContact CG2-CB 4.41Å; I65-F429 HydrophobicContact CG2-CD2 3.77Å; L425-F429 WeakPolarHBondContact O-CG 3.47Å; L425-F429 PolarHBondContact O-N 3.3Å; R426-F429 PolarHBondContact O-N 3.28Å; R426-F429 VanDerWaalsContact O-N 3.16Å; L427-F429 VanDerWaalsContact C-N 3.3Å; L427-F429 PolarHBondContact O-N 3Å; F429-M431 VanDerWaalsContact C-N 3.34Å; F429-H432 PolarHBondContact O-N 3.38Å; F429-L438 HydrophobicContact CD1-CD2 3.47Å; F429-L438 VanDerWaalsContact CD1-CD2 3.47Å; F429-L438 HydrophobicContact CE1-CD2 3.55Å
430	L	96.6	Very high	93.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.7	-31.6	173.7	-72.9	161.6	0	0	0	113.2	I69 R426 L427 L428 H432 T509 R510 L513 F556 V558	I69-L430 HydrophobicContact CB-CD2 4.5Å; I69-L430 HydrophobicContact CD1-CD2 3.6Å; I69-L430 HydrophobicContact CD1-CG 3.77Å; I69-L430 HydrophobicContact CG1-CD2 3.99Å; I69-L430 HydrophobicContact CG2-CD2 3.68Å; R426-L430 HydrophobicContact CG-CD1 4.2Å; R426-L430 WeakPolarHBondContact O-CG 3.5Å; R426-L430 PolarHBondContact O-N 3.2Å; L427-L430 HydrophobicContact CD2-CD1 4.24Å; L427-L430 PolarHBondContact O-N 2.88Å; L428-L430 VanDerWaalsContact C-N 3.34Å; L428-L430 PolarHBondContact O-N 3.41Å; L430-H432 PolarHBondContact O-N 3.24Å; L430-T509 HydrophobicContact CD2-CG2 3.63Å; L430-T509 CarbonylContact O-C 3.56Å; L430-T509 WeakPolarHBondContact O-CB 3.32Å; L430-T509 PolarHBondContact O-OG1 3.31Å; L430-R510 PolarHBondContact O-N 2.93Å; L430-L513 HydrophobicContact CB-CD1 3.54Å; L430-L513 HydrophobicContact CB-CG 4.4Å; L430-F556 HydrophobicContact CD1-CB 3.77Å; L430-F556 HydrophobicContact CD1-CD2 4.35Å; L430-F556 HydrophobicContact CD1-CG 4.31Å; L430-F556 HydrophobicContact CD2-CB 3.85Å; L430-F556 HydrophobicContact CD2-CD1 4.14Å; L430-F556 HydrophobicContact CD2-CD2 4.18Å; L430-F556 HydrophobicContact CD2-CG 3.81Å; L430-F556 HydrophobicContact CG-CB 4.48Å; L430-V558 HydrophobicContact CD1-CG2 3.51Å
431	M	94.9	Very high	93.3	Very high	23 Å²	23	30.5 Å²	30.5	11%	0.113	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.4	179.2	-70.2	179.1	68.2	0	0	113.5	L427 L428 F429 L447 A448 F451 R510 L513	L427-M431 VanDerWaalsContact O-CG 3.26Å; L427-M431 WeakPolarHBondContact O-CG 3.46Å; L427-M431 PolarHBondContact O-N 3.3Å; L428-M431 PolarHBondContact O-N 2.99Å; F429-M431 VanDerWaalsContact C-N 3.34Å; M431-L447 HydrophobicContact CE-CB 3.92Å; M431-A448 HydrophobicContact SD-CB 4.39Å; M431-F451 HydrophobicContact SD-CB 4.18Å; M431-R510 WeakPolarHBondContact O-CD 3.3Å; M431-R510 WeakPolarHBondContact O-CG 3.4Å; M431-L513 HydrophobicContact CG-CD1 3.71Å
432	H	93.7	Very high	93.2	Very high	62 Å²	62	37 Å²	37	29%	0.287	18%	0.184	S	C	.	.	S	Bend	trans	-124	141.3	179	-69	-99.1	0	0	0	110.4	L428 F429 L430 W434 L438	L428-H432 PolarHBondContact O-CD2 2.92Å; L428-H432 VanDerWaalsContact O-CD2 3.26Å; F429-H432 PolarHBondContact O-N 3.38Å; L430-H432 PolarHBondContact O-N 3.24Å; H432-W434 PolarHBondContact O-N 3.42Å; H432-L438 HydrophobicContact CB-CD1 4.12Å; H432-L438 VanDerWaalsContact CE1-CD1 3.46Å; H432-L438 WeakPolarHBondContact CE1-CD1 3.45Å; H432-L438 VanDerWaalsContact CG-CD1 3.46Å; H432-L438 WeakPolarHBondContact ND1-CD1 2.94Å
433	N	94.5	Very high	93	Very high	45 Å²	45	43.7 Å²	43.7	24%	0.241	21%	0.212	C	C	.	.			trans	-56	131.5	176.8	-176.4	-43.5	0	0	0	110.1	R62 S435 D436	R62-N433 PolarHBondContact NH2-O 3.18Å; N433-S435 VanDerWaalsContact C-N 3.25Å; N433-S435 PolarHBondContact O-N 3.02Å; N433-S435 PolarHBondContact OD1-N 3Å; N433-S435 PolarHBondContact OD1-OG 3.19Å; N433-D436 HydrophobicContact CB-CB 4.2Å; N433-D436 WeakPolarHBondContact CB-OD2 3.2Å; N433-D436 PolarHBondContact O-N 2.97Å
434	W	95.7	Very high	92.9	Very high	9 Å²	9	41.2 Å²	41.2	3%	0.034	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.6	-174.7	63	-94.2	0	0	0	113.9	L70 L391 H392 G394 H432 S506	L70-W434 HydrophobicContact CD1-CB 4.04Å; L70-W434 HydrophobicContact CD1-CD2 4.18Å; L70-W434 HydrophobicContact CD1-CG 3.76Å; L70-W434 HydrophobicContact CD2-CD2 4.12Å; L70-W434 HydrophobicContact CD2-CE3 4.48Å; L70-W434 HydrophobicContact CD2-CZ2 4.25Å; L391-W434 HydrophobicContact CB-CH2 4Å; L391-W434 HydrophobicContact CB-CZ3 4.08Å; L391-W434 HydrophobicContact CD2-CH2 3.95Å; L391-W434 HydrophobicContact CD2-CZ2 4.46Å; L391-W434 HydrophobicContact CG-CH2 4.48Å; H392-W434 WeakPolarHBondContact O-CZ3 3.35Å; G394-W434 PolarHBondContact N-O 3.35Å; H432-W434 PolarHBondContact O-N 3.42Å; W434-S506 PolarHBondContact NE1-O 3.39Å
435	S	93.9	Very high	92.9	Very high	28 Å²	28	39.9 Å²	39.9	20%	0.196	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-16.1	-178.1	64.1	0	0	0	0	113.8	G394 N433	G394-S435 VanDerWaalsContact CA-O 3.3Å; G394-S435 WeakPolarHBondContact CA-O 3.45Å; N433-S435 VanDerWaalsContact C-N 3.25Å; N433-S435 PolarHBondContact O-N 3.02Å; N433-S435 PolarHBondContact OD1-N 3Å; N433-S435 PolarHBondContact OD1-OG 3.19Å
436	D	92.7	Very high	92.7	Very high	92 Å²	92	43.7 Å²	43.7	49%	0.492	22%	0.215	S	C	.	.	S	Bend	trans	-88.6	154.8	-177.6	-69.9	-25.4	0	0	0	112.4	R62 G394 N433 L438	R62-D436 PolarHBondContact NH2-O 3.37Å; G394-D436 WeakPolarHBondContact CA-O 3.28Å; N433-D436 HydrophobicContact CB-CB 4.2Å; N433-D436 WeakPolarHBondContact CB-OD2 3.2Å; N433-D436 PolarHBondContact O-N 2.97Å; D436-L438 PolarHBondContact O-N 3.26Å
437	T	91.4	Very high	92.5	Very high	75 Å²	75	47.4 Å²	47.4	46%	0.46	24%	0.235	S	C	.	.			trans	-67.9	130.8	173.3	-64.7	0	0	0	0	110.5	T395 K397	T395-T437 CarbonylContact O-C 3.58Å; T395-T437 VanDerWaalsContact O-CA 3.29Å; T395-T437 WeakPolarHBondContact O-CA 3.4Å; T395-T437 WeakPolarHBondContact OG1-CG2 3.34Å; T395-T437 PolarHBondContact OG1-OG1 2.91Å; T395-T437 VanDerWaalsContact OG1-OG1 3.13Å; K397-T437 HydrophobicContact CD-CG2 3.86Å; K397-T437 HydrophobicContact CG-CG2 3.95Å
438	L	90.7	Very high	92.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.5	177	174.8	62.1	0	0	0	110	T395 L396 K397 L428 F429 H432 D436	T395-L438 PolarHBondContact O-N 2.79Å; L396-L438 WeakPolarHBondContact CA-O 3.26Å; L396-L438 HydrophobicContact CD1-CB 3.79Å; L396-L438 HydrophobicContact CD1-CD2 3.62Å; L396-L438 HydrophobicContact CD1-CG 3.66Å; K397-L438 PolarHBondContact N-O 3.13Å; L428-L438 HydrophobicContact CD1-CD1 4.5Å; L428-L438 HydrophobicContact CD2-CD2 4.18Å; L428-L438 HydrophobicContact CG-CD2 4.21Å; F429-L438 HydrophobicContact CD1-CD2 3.47Å; F429-L438 VanDerWaalsContact CD1-CD2 3.47Å; F429-L438 HydrophobicContact CE1-CD2 3.55Å; H432-L438 HydrophobicContact CB-CD1 4.12Å; H432-L438 VanDerWaalsContact CE1-CD1 3.46Å; H432-L438 WeakPolarHBondContact CE1-CD1 3.45Å; H432-L438 VanDerWaalsContact CG-CD1 3.46Å; H432-L438 WeakPolarHBondContact ND1-CD1 2.94Å; D436-L438 PolarHBondContact O-N 3.26Å
439	D	89.5	Confident	92.3	Very high	76 Å²	76	48.2 Å²	48.2	41%	0.406	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109.2	168.5	-167.6	20.8	0	0	0	109.4	A399 G400 S441	A399-D439 PolarHBondContact N-OD1 2.93Å; G400-D439 PolarHBondContact N-OD1 3.37Å; D439-S441 PolarHBondContact O-N 3.1Å
440	Y	89.7	Confident	92.1	Very high	17 Å²	17	52.8 Å²	52.8	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	119.7	178.1	175.3	-96.1	0	0	0	110.1	M58 K397 I398 I411 C416 Y420 L428 M445	M58-Y440 HydrophobicContact CE-CD2 4.48Å; M58-Y440 HydrophobicContact CE-CE2 4.3Å; K397-Y440 WeakPolarHBondContact O-CB 3.49Å; K397-Y440 PolarHBondContact O-N 3.06Å; I398-Y440 HydrophobicContact CG1-CD1 4.08Å; I411-Y440 HydrophobicContact CD1-CD1 4.39Å; I411-Y440 HydrophobicContact CD1-CE1 3.87Å; C416-Y440 PolarHBondContact SG-OH 2.87Å; Y420-Y440 WeakPolarHBondContact CE2-OH 3.41Å; L428-Y440 HydrophobicContact CD2-CD2 4Å; L428-Y440 HydrophobicContact CD2-CE2 4.44Å; Y440-M445 HydrophobicContact CE2-CG 3.8Å; Y440-M445 HydrophobicContact CE2-SD 3.94Å
441	S	88.7	Confident	92.1	Very high	38 Å²	38	52.8 Å²	52.8	27%	0.266	26%	0.261	S	S	.	.			trans	-146.6	166.7	176.4	68.2	0	0	0	0	111.2	D439 Q443 S444 M445	D439-S441 PolarHBondContact O-N 3.1Å; S441-Q443 PolarHBondContact O-N 3.42Å; S441-Q443 PolarHBondContact OG-N 2.93Å; S441-S444 PolarHBondContact N-OG 3.01Å; S441-S444 PolarHBondContact O-N 3.06Å; S441-S444 PolarHBondContact O-OG 3.08Å; S441-S444 PolarHBondContact OG-N 3.26Å; S441-S444 VanDerWaalsContact OG-N 3.1Å; S441-S444 PolarHBondContact OG-OG 3.37Å; S441-M445 PolarHBondContact O-N 3.32Å; S441-M445 VanDerWaalsContact O-N 3.11Å
442	R	87.8	Confident	92	Very high	194 Å²	194	51.9 Å²	51.9	73%	0.732	26%	0.256	S	S	*	.	H	α-helix	trans	-59.6	-33.7	170.7	-69.3	-174.4	176.4	174.8	-0.3	112.1	M445 E446	R442-M445 PolarHBondContact O-N 2.92Å; R442-E446 PolarHBondContact O-N 3.04Å
443	Q	87.7	Confident	91.8	Very high	163 Å²	163	52.2 Å²	52.2	76%	0.762	26%	0.255	S	S	*	.	H	α-helix	trans	-67.9	-41.6	178.3	-66.2	177.7	3.2	0	0	111.8	S441 M445 E446 L447	S441-Q443 PolarHBondContact O-N 3.42Å; S441-Q443 PolarHBondContact OG-N 2.93Å; Q443-M445 VanDerWaalsContact C-N 3.34Å; Q443-E446 PolarHBondContact O-N 3.04Å; Q443-L447 PolarHBondContact O-N 2.7Å
444	S	90.5	Very high	91.8	Very high	10 Å²	10	52.6 Å²	52.6	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-38.4	176.6	63.8	0	0	0	0	111.4	S441 L447	S441-S444 PolarHBondContact N-OG 3.01Å; S441-S444 PolarHBondContact O-N 3.06Å; S441-S444 PolarHBondContact O-OG 3.08Å; S441-S444 PolarHBondContact OG-N 3.26Å; S441-S444 VanDerWaalsContact OG-N 3.1Å; S441-S444 PolarHBondContact OG-OG 3.37Å; S444-L447 PolarHBondContact O-N 2.88Å
445	M	93.2	Very high	91.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-38.3	174.6	-75.8	-54.8	-50.3	0	0	113.2	Y420 Q424 L425 L428 Y440 S441 R442 Q443 L447 A448 I449	Y420-M445 HydrophobicContact CD1-CB 4.41Å; Y420-M445 HydrophobicContact CD1-CE 3.68Å; Y420-M445 HydrophobicContact CD1-CG 4.45Å; Y420-M445 HydrophobicContact CD2-CE 4.28Å; Y420-M445 HydrophobicContact CD2-CG 4.28Å; Y420-M445 HydrophobicContact CE1-CB 3.82Å; Y420-M445 HydrophobicContact CE1-CE 4.21Å; Y420-M445 HydrophobicContact CE1-CG 4.12Å; Y420-M445 HydrophobicContact CE2-CB 4.45Å; Y420-M445 HydrophobicContact CE2-CG 3.93Å; Y420-M445 HydrophobicContact CG-CE 3.7Å; Q424-M445 HydrophobicContact CB-CE 3.79Å; L425-M445 HydrophobicContact CD2-CE 3.91Å; L425-M445 HydrophobicContact CD2-SD 3.8Å; L428-M445 HydrophobicContact CB-SD 4.01Å; L428-M445 HydrophobicContact CD2-CG 4.49Å; L428-M445 HydrophobicContact CD2-SD 3.44Å; L428-M445 WeakPolarHBondContact CD2-SD 3.36Å; L428-M445 HydrophobicContact CG-SD 4.21Å; Y440-M445 HydrophobicContact CE2-CG 3.8Å; Y440-M445 HydrophobicContact CE2-SD 3.94Å; S441-M445 PolarHBondContact O-N 3.32Å; S441-M445 VanDerWaalsContact O-N 3.11Å; R442-M445 PolarHBondContact O-N 2.92Å; Q443-M445 VanDerWaalsContact C-N 3.34Å; M445-L447 PolarHBondContact O-N 3.2Å; M445-A448 WeakPolarHBondContact O-CB 3Å; M445-A448 PolarHBondContact O-N 3.16Å; M445-I449 WeakPolarHBondContact O-CG1 3.11Å; M445-I449 PolarHBondContact O-N 3.04Å
446	E	91.1	Very high	91.4	Very high	79 Å²	79	51.7 Å²	51.7	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-58.5	-37.1	178.2	-176.9	59.7	-147.6	0	0	111.9	R442 Q443 A448 I449 Q450	R442-E446 PolarHBondContact O-N 3.04Å; Q443-E446 PolarHBondContact O-N 3.04Å; E446-A448 VanDerWaalsContact C-N 3.33Å; E446-A448 PolarHBondContact O-N 3.39Å; E446-I449 PolarHBondContact O-N 3.38Å; E446-Q450 WeakPolarHBondContact O-CB 3.37Å; E446-Q450 VanDerWaalsContact O-CG 3.26Å; E446-Q450 WeakPolarHBondContact O-CG 3.43Å; E446-Q450 PolarHBondContact O-N 3.26Å; E446-Q450 PolarHBondContact OE1-NE2 2.95Å
447	L	92.2	Very high	91.2	Very high	79 Å²	79	49.4 Å²	49.4	41%	0.414	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-39.4	175.1	-64.8	175.5	0	0	0	112.5	M431 Q443 S444 M445 F451	M431-L447 HydrophobicContact CE-CB 3.92Å; Q443-L447 PolarHBondContact O-N 2.7Å; S444-L447 PolarHBondContact O-N 2.88Å; M445-L447 PolarHBondContact O-N 3.2Å; L447-F451 PolarHBondContact O-N 3.36Å; L447-F451 VanDerWaalsContact O-N 3.09Å
448	A	94.4	Very high	91.3	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.4	-42.1	177.3	0	0	0	0	0	111.6	L427 L428 M431 M445 E446 F451 E452	L427-A448 HydrophobicContact CB-CB 4.09Å; L428-A448 HydrophobicContact CB-CB 4.01Å; M431-A448 HydrophobicContact SD-CB 4.39Å; M445-A448 WeakPolarHBondContact O-CB 3Å; M445-A448 PolarHBondContact O-N 3.16Å; E446-A448 VanDerWaalsContact C-N 3.33Å; E446-A448 PolarHBondContact O-N 3.39Å; A448-F451 PolarHBondContact O-N 3.41Å; A448-E452 PolarHBondContact O-N 2.87Å
449	I	92.7	Very high	91.3	Very high	18 Å²	18	46.2 Å²	46.2	9%	0.092	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-42.9	176.1	-65.2	167.4	0	0	0	110.8	Y420 Q424 M445 E446 F451 E452 R453	Y420-I449 HydrophobicContact CD1-CD1 4.13Å; Y420-I449 HydrophobicContact CE1-CD1 3.94Å; Q424-I449 HydrophobicContact CG-CG1 4.13Å; M445-I449 WeakPolarHBondContact O-CG1 3.11Å; M445-I449 PolarHBondContact O-N 3.04Å; E446-I449 PolarHBondContact O-N 3.38Å; I449-F451 VanDerWaalsContact C-N 3.34Å; I449-F451 PolarHBondContact O-N 3.31Å; I449-E452 WeakPolarHBondContact O-CB 3.47Å; I449-E452 PolarHBondContact O-N 2.9Å; I449-R453 WeakPolarHBondContact O-CG 3.41Å; I449-R453 PolarHBondContact O-N 3.05Å
450	Q	93.4	Very high	91.1	Very high	99 Å²	99	44 Å²	44	46%	0.463	21%	0.206	S	C	.	.	H	α-helix	trans	-64.1	-39.3	177.1	-73.5	173.5	11.4	0	0	112.2	E446 L454	E446-Q450 WeakPolarHBondContact O-CB 3.37Å; E446-Q450 VanDerWaalsContact O-CG 3.26Å; E446-Q450 WeakPolarHBondContact O-CG 3.43Å; E446-Q450 PolarHBondContact O-N 3.26Å; E446-Q450 PolarHBondContact OE1-NE2 2.95Å; Q450-L454 WeakPolarHBondContact O-CB 3.44Å; Q450-L454 PolarHBondContact O-N 2.92Å
451	F	95.1	Very high	91.1	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-41.3	176	-176.4	-93.5	0	0	0	112.3	L427 M431 L447 A448 I449 L454 C455 L513 V516 R517 M553	L427-F451 HydrophobicContact CD1-CD1 4.36Å; L427-F451 HydrophobicContact CD2-CD1 3.8Å; L427-F451 HydrophobicContact CD2-CE1 3.92Å; M431-F451 HydrophobicContact SD-CB 4.18Å; L447-F451 PolarHBondContact O-N 3.36Å; L447-F451 VanDerWaalsContact O-N 3.09Å; A448-F451 PolarHBondContact O-N 3.41Å; I449-F451 VanDerWaalsContact C-N 3.34Å; I449-F451 PolarHBondContact O-N 3.31Å; F451-L454 PolarHBondContact O-N 2.85Å; F451-C455 PolarHBondContact O-N 3.2Å; F451-C455 VanDerWaalsContact O-N 3.08Å; F451-L513 HydrophobicContact CE1-CD1 4.25Å; F451-L513 HydrophobicContact CE1-CD2 3.93Å; F451-L513 HydrophobicContact CE2-CB 4.24Å; F451-L513 HydrophobicContact CZ-CB 4.07Å; F451-L513 HydrophobicContact CZ-CD1 4.42Å; F451-L513 HydrophobicContact CZ-CD2 3.75Å; F451-L513 HydrophobicContact CZ-CG 4.29Å; F451-V516 HydrophobicContact CZ-CG1 4.16Å; F451-R517 HydrophobicContact CE2-CB 4.16Å; F451-M553 HydrophobicContact CE1-CE 3.98Å; F451-M553 HydrophobicContact CZ-CE 4.06Å
452	E	93	Very high	91.2	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-56.7	-53.3	172.7	-176.2	-177.6	-159.3	0	0	110.9	R423 Q424 L427 A448 I449 L454 C455 S456 F587	R423-E452 IonicContact CZ-OE1 3.33Å; R423-E452 IonicContact NE-OE1 3.75Å; R423-E452 PolarHBondContact NE-OE1 3.46Å; R423-E452 IonicContact NH2-OE1 3.82Å; R423-E452 PolarHBondContact NH2-OE1 3.22Å; Q424-E452 WeakPolarHBondContact CG-OE2 3.33Å; Q424-E452 PolarHBondContact NE2-OE2 3.05Å; L427-E452 HydrophobicContact CD1-CB 3.65Å; L427-E452 HydrophobicContact CD1-CG 4.17Å; A448-E452 PolarHBondContact O-N 2.87Å; I449-E452 WeakPolarHBondContact O-CB 3.47Å; I449-E452 PolarHBondContact O-N 2.9Å; E452-L454 VanDerWaalsContact C-N 3.34Å; E452-L454 PolarHBondContact O-N 3.42Å; E452-C455 PolarHBondContact O-N 3.28Å; E452-C455 VanDerWaalsContact O-N 3.17Å; E452-S456 PolarHBondContact O-N 3.2Å; E452-S456 PolarHBondContact O-OG 3Å; E452-F587 HydrophobicContact CG-CE2 4.41Å
453	R	90.8	Very high	91.1	Very high	70 Å²	70	33 Å²	33	26%	0.264	16%	0.161	S	C	.	.	H	α-helix	trans	-55.5	-46.8	177	-76.8	177.6	169.4	146.7	6	112.2	I449 C455 S456 E457 E666	I449-R453 WeakPolarHBondContact O-CG 3.41Å; I449-R453 PolarHBondContact O-N 3.05Å; R453-C455 VanDerWaalsContact C-N 3.32Å; R453-C455 PolarHBondContact O-N 3.34Å; R453-S456 PolarHBondContact O-N 2.96Å; R453-E457 WeakPolarHBondContact O-CB 2.64Å; R453-E457 WeakPolarHBondContact O-CG 3.47Å; R453-E457 PolarHBondContact O-N 2.98Å; R453-E666 IonicContact CZ-OE1 3.24Å; R453-E666 IonicContact NE-OE1 2.73Å; R453-E666 PolarHBondContact NE-OE1 2.67Å; R453-E666 IonicContact NH2-OE1 2.59Å
454	L	94	Very high	91	Very high	52 Å²	52	25.4 Å²	25.4	27%	0.272	13%	0.125	S	C	.	.	H	α-helix	trans	-55.2	-48	177.6	175.3	70.2	0	0	0	111.7	Q450 F451 E452 F458 R517 V520	Q450-L454 WeakPolarHBondContact O-CB 3.44Å; Q450-L454 PolarHBondContact O-N 2.92Å; F451-L454 PolarHBondContact O-N 2.85Å; E452-L454 VanDerWaalsContact C-N 3.34Å; E452-L454 PolarHBondContact O-N 3.42Å; L454-F458 WeakPolarHBondContact O-CB 3.34Å; L454-F458 PolarHBondContact O-N 2.98Å; L454-F458 VanDerWaalsContact O-N 3.12Å; L454-R517 HydrophobicContact CD2-CB 4.28Å; L454-R517 HydrophobicContact CD2-CG 3.65Å; L454-V520 HydrophobicContact CD1-CG1 3.86Å; L454-V520 HydrophobicContact CD2-CG1 4.47Å; L454-V520 HydrophobicContact CG-CG1 3.99Å
455	C	91.6	Very high	90.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67	-46.6	178.8	-73.7	0	0	0	0	111.4	F451 E452 R453 E457 F458 F459 F587	F451-C455 PolarHBondContact O-N 3.2Å; F451-C455 VanDerWaalsContact O-N 3.08Å; E452-C455 PolarHBondContact O-N 3.28Å; E452-C455 VanDerWaalsContact O-N 3.17Å; R453-C455 VanDerWaalsContact C-N 3.32Å; R453-C455 PolarHBondContact O-N 3.34Å; C455-E457 PolarHBondContact O-N 2.96Å; C455-F458 WeakPolarHBondContact O-CB 3.48Å; C455-F458 PolarHBondContact O-N 3.43Å; C455-F459 VanDerWaalsContact C-CD2 3.48Å; C455-F459 HydrophobicContact CB-CD2 4.33Å; C455-F459 HydrophobicContact CB-CE2 3.88Å; C455-F459 WeakPolarHBondContact O-CD2 3.38Å; C455-F459 VanDerWaalsContact O-CG 3.31Å; C455-F459 WeakPolarHBondContact O-CG 3.22Å; C455-F459 PolarHBondContact O-N 3.31Å; C455-F587 HydrophobicContact CB-CE2 3.45Å; C455-F587 VanDerWaalsContact CB-CE2 3.45Å; C455-F587 HydrophobicContact CB-CZ 3.45Å; C455-F587 VanDerWaalsContact CB-CZ 3.45Å
456	S	88.6	Confident	90.5	Very high	18 Å²	18	25.7 Å²	25.7	13%	0.126	13%	0.125	C	C	.	.	H	α-helix	trans	-55.8	-49.5	177.2	-66.1	0	0	0	0	111.6	E452 R453 F458 F459 L460 F587	E452-S456 PolarHBondContact O-N 3.2Å; E452-S456 PolarHBondContact O-OG 3Å; R453-S456 PolarHBondContact O-N 2.96Å; S456-F458 VanDerWaalsContact C-N 3.31Å; S456-F458 PolarHBondContact O-N 3.48Å; S456-F459 PolarHBondContact O-N 3.49Å; S456-L460 VanDerWaalsContact O-CG 3.29Å; S456-L460 WeakPolarHBondContact O-CG 3.38Å; S456-L460 PolarHBondContact O-N 2.88Å; S456-F587 VanDerWaalsContact OG-CD2 3.31Å; S456-F587 WeakPolarHBondContact OG-CD2 3.28Å
457	E	89.8	Confident	90.2	Very high	45 Å²	45	25.7 Å²	25.7	21%	0.21	12%	0.122	C	C	.	.	H	α-helix	trans	-61.6	-39.9	178.7	-73.4	-46	121.7	0	0	112.6	R453 C455 T461 R645 K656	R453-E457 WeakPolarHBondContact O-CB 2.64Å; R453-E457 WeakPolarHBondContact O-CG 3.47Å; R453-E457 PolarHBondContact O-N 2.98Å; C455-E457 PolarHBondContact O-N 2.96Å; E457-T461 WeakPolarHBondContact O-CB 3.22Å; E457-T461 PolarHBondContact O-N 3.31Å; E457-T461 PolarHBondContact O-OG1 2.79Å; E457-R645 IonicContact OE1-CZ 3.33Å; E457-R645 IonicContact OE1-NH1 3.9Å; E457-R645 PolarHBondContact OE1-NH1 2.86Å; E457-R645 IonicContact OE2-NH1 2.76Å; E457-R645 PolarHBondContact OE2-NH1 3.17Å; E457-K656 IonicContact OE2-NZ 3.73Å; E457-K656 PolarHBondContact OE2-NZ 3.43Å
458	F	93	Very high	89.7	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.009	12%	0.123	C	C	.	.	H	α-helix	trans	-62.2	-49	174.5	171.5	-106.9	0	0	0	111.4	L454 C455 S456 L460 T461 V462 V520 C523 V545 A546 I549	L454-F458 WeakPolarHBondContact O-CB 3.34Å; L454-F458 PolarHBondContact O-N 2.98Å; L454-F458 VanDerWaalsContact O-N 3.12Å; C455-F458 WeakPolarHBondContact O-CB 3.48Å; C455-F458 PolarHBondContact O-N 3.43Å; S456-F458 VanDerWaalsContact C-N 3.31Å; S456-F458 PolarHBondContact O-N 3.48Å; F458-L460 PolarHBondContact O-N 2.88Å; F458-T461 PolarHBondContact O-N 2.97Å; F458-V462 HydrophobicContact CD2-CG2 4.07Å; F458-V462 HydrophobicContact CE1-CG2 4.23Å; F458-V462 HydrophobicContact CE2-CG2 3.54Å; F458-V462 HydrophobicContact CZ-CG2 3.65Å; F458-V462 WeakPolarHBondContact O-CG2 3.45Å; F458-V462 PolarHBondContact O-N 3.15Å; F458-V520 HydrophobicContact CB-CG1 3.7Å; F458-V520 HydrophobicContact CB-CG2 4.41Å; F458-V520 HydrophobicContact CD1-CG2 4Å; F458-V520 HydrophobicContact CD2-CG1 4Å; F458-V520 HydrophobicContact CE1-CG2 4.43Å; F458-V520 HydrophobicContact CG-CG1 3.85Å; F458-V520 HydrophobicContact CG-CG2 4.03Å; F458-C523 HydrophobicContact CD2-CB 4.29Å; F458-C523 HydrophobicContact CE2-CB 3.54Å; F458-C523 HydrophobicContact CZ-CB 4.29Å; F458-V545 HydrophobicContact CE1-CG1 4.36Å; F458-V545 HydrophobicContact CZ-CB 4.47Å; F458-V545 HydrophobicContact CZ-CG1 3.9Å; F458-A546 HydrophobicContact CE1-CB 3.88Å; F458-A546 HydrophobicContact CZ-CB 4.28Å; F458-I549 HydrophobicContact CD1-CD1 4.26Å; F458-I549 HydrophobicContact CE1-CD1 3.77Å; F458-I549 HydrophobicContact CZ-CD1 4.48Å
459	F	89.9	Confident	89.3	Confident	6 Å²	6	29.8 Å²	29.8	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-45.7	179	-65.6	-53	0	0	0	112.4	C455 S456 T461 V462 S463 A546 I549 T550 F587	C455-F459 VanDerWaalsContact C-CD2 3.48Å; C455-F459 HydrophobicContact CB-CD2 4.33Å; C455-F459 HydrophobicContact CB-CE2 3.88Å; C455-F459 WeakPolarHBondContact O-CD2 3.38Å; C455-F459 VanDerWaalsContact O-CG 3.31Å; C455-F459 WeakPolarHBondContact O-CG 3.22Å; C455-F459 PolarHBondContact O-N 3.31Å; S456-F459 PolarHBondContact O-N 3.49Å; F459-T461 VanDerWaalsContact C-N 3.33Å; F459-T461 PolarHBondContact O-N 3.17Å; F459-V462 PolarHBondContact O-N 3.22Å; F459-S463 VanDerWaalsContact O-CB 3.31Å; F459-S463 WeakPolarHBondContact O-CB 3.45Å; F459-S463 PolarHBondContact O-N 2.99Å; F459-S463 PolarHBondContact O-OG 3.4Å; F459-A546 HydrophobicContact CD1-CB 4.16Å; F459-A546 HydrophobicContact CE1-CB 4.35Å; F459-I549 HydrophobicContact CE1-CB 4.18Å; F459-I549 HydrophobicContact CE1-CG2 4.17Å; F459-I549 HydrophobicContact CZ-CB 4.14Å; F459-I549 HydrophobicContact CZ-CG2 3.66Å; F459-T550 WeakPolarHBondContact CE1-OG1 3.45Å; F459-F587 HydrophobicContact CD2-CD2 4.28Å; F459-F587 HydrophobicContact CD2-CE2 4.21Å; F459-F587 HydrophobicContact CE2-CD2 4.26Å; F459-F587 HydrophobicContact CE2-CE1 4.28Å; F459-F587 AromaticContact CE2-CE2 3.93Å; F459-F587 HydrophobicContact CE2-CE2 3.93Å; F459-F587 AromaticContact CE2-CZ 3.94Å; F459-F587 HydrophobicContact CE2-CZ 3.94Å
460	L	86.7	Confident	88.9	Confident	31 Å²	31	30 Å²	30	16%	0.162	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-41.5	177.8	-68.6	169.8	0	0	0	111.9	S456 F458 S463 H464 K656 L657 V658	S456-L460 VanDerWaalsContact O-CG 3.29Å; S456-L460 WeakPolarHBondContact O-CG 3.38Å; S456-L460 PolarHBondContact O-N 2.88Å; F458-L460 PolarHBondContact O-N 2.88Å; L460-S463 PolarHBondContact O-N 3.49Å; L460-H464 PolarHBondContact O-N 3.36Å; L460-K656 HydrophobicContact CB-CB 4.2Å; L460-K656 HydrophobicContact CB-CD 3.79Å; L460-K656 HydrophobicContact CB-CG 3.89Å; L460-K656 HydrophobicContact CD1-CB 4.36Å; L460-K656 HydrophobicContact CD1-CD 4.3Å; L460-L657 WeakPolarHBondContact CD2-O 3.36Å; L460-V658 HydrophobicContact CD1-CG2 3.7Å
461	T	89.8	Confident	88.3	Confident	3 Å²	3	27.3 Å²	27.3	2%	0.018	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-48	176.7	-56.3	0	0	0	0	111.1	E457 F458 F459 H464 Y465 I527 K656	E457-T461 WeakPolarHBondContact O-CB 3.22Å; E457-T461 PolarHBondContact O-N 3.31Å; E457-T461 PolarHBondContact O-OG1 2.79Å; F458-T461 PolarHBondContact O-N 2.97Å; F459-T461 VanDerWaalsContact C-N 3.33Å; F459-T461 PolarHBondContact O-N 3.17Å; T461-H464 PolarHBondContact O-N 2.7Å; T461-Y465 HydrophobicContact CG2-CD2 4.05Å; T461-Y465 HydrophobicContact CG2-CE2 3.77Å; T461-Y465 VanDerWaalsContact O-CD2 3.24Å; T461-Y465 WeakPolarHBondContact O-CD2 3.15Å; T461-Y465 PolarHBondContact O-N 2.88Å; T461-I527 HydrophobicContact CG2-CD1 4.17Å; T461-K656 WeakPolarHBondContact OG1-CE 3.44Å; T461-K656 PolarHBondContact OG1-NZ 3.22Å; T461-K656 VanDerWaalsContact OG1-NZ 3.09Å
462	V	89.3	Confident	87.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.1	-42.8	177.9	174.9	0	0	0	0	110.9	F458 F459 H464 Y465 V466 L542 A546 L585	F458-V462 HydrophobicContact CD2-CG2 4.07Å; F458-V462 HydrophobicContact CE1-CG2 4.23Å; F458-V462 HydrophobicContact CE2-CG2 3.54Å; F458-V462 HydrophobicContact CZ-CG2 3.65Å; F458-V462 WeakPolarHBondContact O-CG2 3.45Å; F458-V462 PolarHBondContact O-N 3.15Å; F459-V462 PolarHBondContact O-N 3.22Å; V462-H464 VanDerWaalsContact C-N 3.3Å; V462-H464 PolarHBondContact O-N 2.96Å; V462-Y465 PolarHBondContact O-N 2.6Å; V462-V466 HydrophobicContact CG1-CG2 3.88Å; V462-V466 WeakPolarHBondContact O-CB 3.29Å; V462-V466 VanDerWaalsContact O-CG2 3.23Å; V462-V466 WeakPolarHBondContact O-CG2 3.42Å; V462-V466 PolarHBondContact O-N 3.38Å; V462-L542 HydrophobicContact CG1-CB 4.06Å; V462-L542 HydrophobicContact CG2-CB 4.14Å; V462-A546 HydrophobicContact CB-CB 4.29Å; V462-A546 HydrophobicContact CG1-CB 3.89Å; V462-A546 HydrophobicContact CG2-CB 4.41Å; V462-L585 HydrophobicContact CG1-CD1 3.98Å
463	S	86	Confident	87.1	Confident	14 Å²	14	38.5 Å²	38.5	10%	0.098	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-40.7	177.3	-71.4	0	0	0	0	112.2	F459 L460 R467	F459-S463 VanDerWaalsContact O-CB 3.31Å; F459-S463 WeakPolarHBondContact O-CB 3.45Å; F459-S463 PolarHBondContact O-N 2.99Å; F459-S463 PolarHBondContact O-OG 3.4Å; L460-S463 PolarHBondContact O-N 3.49Å; S463-R467 WeakPolarHBondContact O-CB 3.29Å; S463-R467 PolarHBondContact O-N 2.93Å
464	H	86.2	Confident	86.7	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-55.9	173.5	174.4	82.5	0	0	0	112.4	L460 T461 V462 V466 R467 K468 E652 V654 V655	L460-H464 PolarHBondContact O-N 3.36Å; T461-H464 PolarHBondContact O-N 2.7Å; V462-H464 VanDerWaalsContact C-N 3.3Å; V462-H464 PolarHBondContact O-N 2.96Å; H464-V466 VanDerWaalsContact C-N 3.31Å; H464-V466 PolarHBondContact O-N 2.91Å; H464-R467 PolarHBondContact O-N 3.4Å; H464-K468 PolarHBondContact O-N 2.85Å; H464-K468 VanDerWaalsContact O-N 3.07Å; H464-E652 IonicContact CD2-OE1 3.71Å; H464-E652 IonicContact CE1-OE1 2.73Å; H464-E652 PolarHBondContact CE1-OE1 2.8Å; H464-E652 IonicContact NE2-OE1 2.81Å; H464-E652 PolarHBondContact NE2-OE1 3.4Å; H464-V654 HydrophobicContact CB-CG1 3.75Å; H464-V655 PolarHBondContact CE1-N 3.47Å; H464-V655 PolarHBondContact ND1-N 3.07Å
465	Y	87.8	Confident	86.2	Confident	13 Å²	13	41.9 Å²	41.9	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-42.7	-178.3	-78.6	-68.5	0	0	0	112	T461 V462 K468 H469 I527 P537 C539	T461-Y465 HydrophobicContact CG2-CD2 4.05Å; T461-Y465 HydrophobicContact CG2-CE2 3.77Å; T461-Y465 VanDerWaalsContact O-CD2 3.24Å; T461-Y465 WeakPolarHBondContact O-CD2 3.15Å; T461-Y465 PolarHBondContact O-N 2.88Å; V462-Y465 PolarHBondContact O-N 2.6Å; Y465-K468 PolarHBondContact O-N 3.45Å; Y465-H469 WeakPolarHBondContact O-CB 3.34Å; Y465-H469 PolarHBondContact O-N 2.87Å; Y465-I527 HydrophobicContact CE2-CG2 3.61Å; Y465-P537 HydrophobicContact CD1-CG 3.68Å; Y465-P537 HydrophobicContact CD2-CG 4.3Å; Y465-P537 HydrophobicContact CE1-CG 3.72Å; Y465-P537 HydrophobicContact CE2-CG 4.34Å; Y465-P537 HydrophobicContact CG-CG 3.99Å; Y465-C539 PolarHBondContact O-SG 3.46Å
466	V	86.3	Confident	85.8	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-45.7	177.6	170	0	0	0	0	111.1	V462 H464 K468 F470 C539 R543 I581	V462-V466 HydrophobicContact CG1-CG2 3.88Å; V462-V466 WeakPolarHBondContact O-CB 3.29Å; V462-V466 VanDerWaalsContact O-CG2 3.23Å; V462-V466 WeakPolarHBondContact O-CG2 3.42Å; V462-V466 PolarHBondContact O-N 3.38Å; H464-V466 VanDerWaalsContact C-N 3.31Å; H464-V466 PolarHBondContact O-N 2.91Å; V466-K468 VanDerWaalsContact C-N 3.27Å; V466-K468 PolarHBondContact O-N 2.79Å; V466-F470 HydrophobicContact CG1-CB 4.18Å; V466-F470 HydrophobicContact CG1-CD1 4.16Å; V466-F470 WeakPolarHBondContact O-CB 3.49Å; V466-F470 PolarHBondContact O-N 3.17Å; V466-C539 HydrophobicContact CG2-CB 4.41Å; V466-R543 HydrophobicContact CG2-CB 3.94Å; V466-R543 HydrophobicContact CG2-CG 4.5Å; V466-I581 HydrophobicContact CG1-CB 3.85Å; V466-I581 HydrophobicContact CG1-CD1 3.19Å; V466-I581 HydrophobicContact CG1-CG1 4.08Å; V466-I581 HydrophobicContact CG1-CG2 3.73Å
467	R	83.8	Confident	85.5	Confident	78 Å²	78	46.4 Å²	46.4	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-59.9	-37.3	178.7	-168.3	-168.2	-56.4	125.8	-6.4	112.2	S463 H464 E598 M602	S463-R467 WeakPolarHBondContact O-CB 3.29Å; S463-R467 PolarHBondContact O-N 2.93Å; H464-R467 PolarHBondContact O-N 3.4Å; R467-E598 IonicContact CZ-OE1 3.3Å; R467-E598 IonicContact NE-OE1 3.1Å; R467-E598 PolarHBondContact NE-OE1 3.1Å; R467-E598 IonicContact NH2-OE1 3.89Å; R467-E598 PolarHBondContact NH2-OE1 2.73Å; R467-M602 PolarHBondContact NH1-SD 3.21Å
468	K	82.8	Confident	85.4	Confident	103 Å²	103	50 Å²	50	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-87.3	-36	-175.1	-168.4	176.5	-177.4	-173.9	0	114.2	H464 Y465 V466 E652	H464-K468 PolarHBondContact O-N 2.85Å; H464-K468 VanDerWaalsContact O-N 3.07Å; Y465-K468 PolarHBondContact O-N 3.45Å; V466-K468 VanDerWaalsContact C-N 3.27Å; V466-K468 PolarHBondContact O-N 2.79Å; K468-E652 WeakPolarHBondContact CD-OE1 3.38Å; K468-E652 WeakPolarHBondContact CE-OE1 3.28Å; K468-E652 IonicContact NZ-OE1 3.75Å; K468-E652 PolarHBondContact NZ-OE1 3.01Å; K468-E652 IonicContact NZ-OE2 2.87Å; K468-E652 PolarHBondContact NZ-OE2 2.71Å
469	H	85.6	Confident	85.1	Confident	62 Å²	62	53.6 Å²	53.6	29%	0.287	28%	0.28	S	S	.	.	H	α-helix	trans	-124.2	0.7	-166.4	-59.4	-69.7	0	0	0	114.9	Y465 V536 E652	Y465-H469 WeakPolarHBondContact O-CB 3.34Å; Y465-H469 PolarHBondContact O-N 2.87Å; H469-V536 HydrophobicContact CB-CG1 3.76Å; H469-V536 VanDerWaalsContact CG-CG1 3.49Å; H469-E652 IonicContact NE2-OE2 2.74Å
470	F	84.5	Confident	85.1	Confident	22 Å²	22	63 Å²	63	10%	0.096	32%	0.32	C	S	.	.			trans	-124.4	120.6	-179.9	-177.9	-93	0	0	0	111.8	V466 R472 C539 L540 I581	V466-F470 HydrophobicContact CG1-CB 4.18Å; V466-F470 HydrophobicContact CG1-CD1 4.16Å; V466-F470 WeakPolarHBondContact O-CB 3.49Å; V466-F470 PolarHBondContact O-N 3.17Å; F470-R472 HydrophobicContact CE1-CB 4.48Å; F470-C539 HydrophobicContact CB-CB 3.78Å; F470-C539 HydrophobicContact CD2-CB 4.37Å; F470-C539 HydrophobicContact CG-CB 4.42Å; F470-L540 HydrophobicContact CD2-CB 4.35Å; F470-L540 HydrophobicContact CE2-CB 3.94Å; F470-L540 HydrophobicContact CE2-CD1 3.84Å; F470-L540 HydrophobicContact CE2-CG 4.39Å; F470-L540 HydrophobicContact CZ-CD1 3.97Å; F470-I581 HydrophobicContact CD1-CD1 3.66Å; F470-I581 HydrophobicContact CE1-CD1 3.89Å
471	D	80.9	Confident	85.3	Confident	43 Å²	43	64.5 Å²	64.5	23%	0.23	33%	0.329	C	S	.	.			trans	-130.8	124.7	167.4	-174.2	-17	0	0	0	108.7	C473 L474 S477 N579	D471-C473 PolarHBondContact O-N 3.12Å; D471-C473 VanDerWaalsContact O-N 3.13Å; D471-C473 WeakPolarHBondContact OD1-CB 3.45Å; D471-C473 PolarHBondContact OD1-N 2.88Å; D471-L474 HydrophobicContact CB-CB 4.1Å; D471-L474 HydrophobicContact CB-CD1 3.71Å; D471-L474 HydrophobicContact CB-CG 3.74Å; D471-L474 PolarHBondContact O-N 3.43Å; D471-S477 PolarHBondContact N-OG 3.14Å; D471-S477 VanDerWaalsContact O-CB 3.27Å; D471-S477 WeakPolarHBondContact O-CB 3.22Å; D471-S477 PolarHBondContact O-OG 3.09Å; D471-N579 PolarHBondContact OD1-ND2 3.02Å
472	R	80.8	Confident	85.4	Confident	130 Å²	130	65.8 Å²	65.8	49%	0.491	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.6	180	-175.3	179	176.9	-179	-1.4	112.3	F470 T575	F470-R472 HydrophobicContact CE1-CB 4.48Å; R472-T575 PolarHBondContact NH1-O 3.38Å
473	C	80.8	Confident	85.6	Confident	110 Å²	110	76 Å²	76	74%	0.743	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-17.3	179.9	-64.2	0	0	0	0	113.4	D471	D471-C473 PolarHBondContact O-N 3.12Å; D471-C473 VanDerWaalsContact O-N 3.13Å; D471-C473 WeakPolarHBondContact OD1-CB 3.45Å; D471-C473 PolarHBondContact OD1-N 2.88Å
474	L	82.3	Confident	85.9	Confident	89 Å²	89	79.1 Å²	79.1	47%	0.466	39%	0.391	S	S	.	.			trans	-97.2	128.7	-176.3	-62.2	178.9	0	0	0	111.1	D471 T476 S477 F478	D471-L474 HydrophobicContact CB-CB 4.1Å; D471-L474 HydrophobicContact CB-CD1 3.71Å; D471-L474 HydrophobicContact CB-CG 3.74Å; D471-L474 PolarHBondContact O-N 3.43Å; L474-T476 PolarHBondContact O-N 3.36Å; L474-S477 VanDerWaalsContact O-CB 3.3Å; L474-S477 WeakPolarHBondContact O-CB 3.33Å; L474-S477 PolarHBondContact O-N 3.47Å; L474-S477 VanDerWaalsContact O-N 3.16Å; L474-S477 PolarHBondContact O-OG 2.74Å; L474-F478 WeakPolarHBondContact O-CD2 3.5Å; L474-F478 WeakPolarHBondContact O-CE2 3.41Å
475	S	84	Confident	86.3	Confident	104 Å²	104	80 Å²	80	73%	0.727	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-61.4	-27.5	174.9	57.8	0	0	0	0	112.6	S477 F478	S475-S477 PolarHBondContact O-N 2.97Å; S475-F478 PolarHBondContact O-N 3.31Å
476	T	83.1	Confident	86.7	Confident	105 Å²	105	84.2 Å²	84.2	64%	0.644	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-61.9	-22.6	176.8	52.1	0	0	0	0	113.4	L474 F478	L474-T476 PolarHBondContact O-N 3.36Å; T476-F478 PolarHBondContact O-N 2.9Å
477	S	82.9	Confident	87.2	Confident	8 Å²	8	88.1 Å²	88.1	6%	0.056	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-70.9	-16.6	175.2	-58	0	0	0	0	113.4	D471 L474 S475	D471-S477 PolarHBondContact N-OG 3.14Å; D471-S477 VanDerWaalsContact O-CB 3.27Å; D471-S477 WeakPolarHBondContact O-CB 3.22Å; D471-S477 PolarHBondContact O-OG 3.09Å; L474-S477 VanDerWaalsContact O-CB 3.3Å; L474-S477 WeakPolarHBondContact O-CB 3.33Å; L474-S477 PolarHBondContact O-N 3.47Å; L474-S477 VanDerWaalsContact O-N 3.16Å; L474-S477 PolarHBondContact O-OG 2.74Å; S475-S477 PolarHBondContact O-N 2.97Å
478	F	87.3	Confident	87.8	Confident	120 Å²	120	84.6 Å²	84.6	53%	0.526	42%	0.424	S	S	.	.	S	Bend	trans	-105.3	80.4	-175.7	-58.8	-86.9	0	0	0	110.2	L474 S475 T476 L540	L474-F478 WeakPolarHBondContact O-CD2 3.5Å; L474-F478 WeakPolarHBondContact O-CE2 3.41Å; S475-F478 PolarHBondContact O-N 3.31Å; T476-F478 PolarHBondContact O-N 2.9Å; F478-L540 HydrophobicContact CD1-CD2 4.07Å; F478-L540 HydrophobicContact CE1-CD2 4.24Å
479	V	85.5	Confident	88.5	Confident	78 Å²	78	83.6 Å²	83.6	47%	0.473	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-85.6	147.7	-177.8	-62.1	0	0	0	0	112.4	L481 C538	V479-L481 PolarHBondContact O-N 3.4Å; V479-C538 HydrophobicContact CG2-CB 4.07Å
480	K	90	Very high	89	Confident	202 Å²	202	85 Å²	85	88%	0.878	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-64.8	128	170.5	179.5	-179	177.9	-179.4	0	109.5	G482	K480-G482 PolarHBondContact O-N 3.48Å
481	L	91.4	Very high	89.6	Confident	64 Å²	64	86.9 Å²	86.9	34%	0.335	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-70.3	122.5	176.5	-54.6	-176.4	0	0	0	110.2	V479 E485 L486	V479-L481 PolarHBondContact O-N 3.4Å; L481-E485 HydrophobicContact CB-CB 3.9Å; L481-E485 HydrophobicContact CD2-CB 3.84Å; L481-E485 HydrophobicContact CD2-CG 4.23Å; L481-E485 HydrophobicContact CG-CB 4.36Å; L481-L486 HydrophobicContact CB-CD2 4.26Å; L481-L486 HydrophobicContact CB-CG 4.27Å; L481-L486 HydrophobicContact CD1-CD2 4.41Å
482	G	91.8	Very high	90.4	Very high	30 Å²	30	85.2 Å²	85.2	31%	0.309	43%	0.428	S	S	.	.			trans	-86.2	-170.3	171.1	0	0	0	0	0	111.7	K480 R484 E485 L486	K480-G482 PolarHBondContact O-N 3.48Å; G482-R484 VanDerWaalsContact C-N 3.34Å; G482-R484 PolarHBondContact O-N 3.24Å; G482-E485 VanDerWaalsContact C-OE2 3.24Å; G482-E485 WeakPolarHBondContact CA-OE2 3.4Å; G482-E485 PolarHBondContact N-OE2 2.78Å; G482-E485 PolarHBondContact O-N 3.31Å; G482-L486 WeakPolarHBondContact O-CB 3.37Å; G482-L486 VanDerWaalsContact O-CG 3.23Å; G482-L486 WeakPolarHBondContact O-CG 3.48Å; G482-L486 PolarHBondContact O-N 2.66Å
483	R	93.8	Very high	91.2	Very high	214 Å²	214	85.6 Å²	85.6	81%	0.808	43%	0.433	S	S	*	.	H	α-helix	trans	-61	-41.2	-178	-176.1	177.9	177	-178.9	-1.2	112.3	L486 I487	R483-L486 PolarHBondContact O-N 3.29Å; R483-I487 HydrophobicContact CG-CD1 4.18Å; R483-I487 WeakPolarHBondContact O-CD1 3.47Å; R483-I487 VanDerWaalsContact O-CG1 3.28Å; R483-I487 WeakPolarHBondContact O-CG1 3.44Å; R483-I487 PolarHBondContact O-N 2.91Å; R483-I487 VanDerWaalsContact O-N 3.11Å
484	R	93	Very high	92	Very high	80 Å²	80	83.3 Å²	83.3	30%	0.302	41%	0.413	S	S	.	.	H	α-helix	trans	-68.1	-44	-179	-74.2	177.7	169.2	173	-1	111.6	G482 L486 I487 L488 Y526 E529 E530	G482-R484 VanDerWaalsContact C-N 3.34Å; G482-R484 PolarHBondContact O-N 3.24Å; R484-L486 VanDerWaalsContact C-N 3.33Å; R484-L486 PolarHBondContact O-N 3.5Å; R484-I487 PolarHBondContact O-N 3.35Å; R484-L488 PolarHBondContact O-N 3.36Å; R484-Y526 HydrophobicContact CB-CD2 4.24Å; R484-Y526 HydrophobicContact CB-CE2 4.24Å; R484-E529 WeakPolarHBondContact CD-OE2 3.36Å; R484-E529 IonicContact CZ-OE2 2.73Å; R484-E529 IonicContact NE-OE2 3.69Å; R484-E529 PolarHBondContact NE-OE2 3.2Å; R484-E529 PolarHBondContact NH1-O 3.27Å; R484-E529 IonicContact NH2-OE2 3.07Å; R484-E530 WeakPolarHBondContact CD-OE1 3.43Å; R484-E530 IonicContact CZ-OE1 3.82Å; R484-E530 IonicContact NE-OE1 2.69Å; R484-E530 IonicContact NH1-OE1 2.8Å; R484-E530 PolarHBondContact NH1-OE1 2.91Å
485	E	95	Very high	92.7	Very high	23 Å²	23	79.3 Å²	79.3	11%	0.107	39%	0.393	C	S	.	.	H	α-helix	trans	-65.4	-37.8	177.4	-63.4	73.8	-163.6	0	0	111.7	L481 G482 L488 Q489 Y526 C538 L541	L481-E485 HydrophobicContact CB-CB 3.9Å; L481-E485 HydrophobicContact CD2-CB 3.84Å; L481-E485 HydrophobicContact CD2-CG 4.23Å; L481-E485 HydrophobicContact CG-CB 4.36Å; G482-E485 VanDerWaalsContact C-OE2 3.24Å; G482-E485 WeakPolarHBondContact CA-OE2 3.4Å; G482-E485 PolarHBondContact N-OE2 2.78Å; G482-E485 PolarHBondContact O-N 3.31Å; E485-L488 PolarHBondContact O-N 2.95Å; E485-Q489 WeakPolarHBondContact O-CB 3.37Å; E485-Q489 PolarHBondContact O-N 2.98Å; E485-Y526 HydrophobicContact CG-CE2 4.11Å; E485-Y526 WeakPolarHBondContact CG-OH 3.42Å; E485-Y526 PolarHBondContact OE1-OH 3.1Å; E485-C538 HydrophobicContact CG-CB 3.94Å; E485-L541 HydrophobicContact CB-CD2 4.29Å
486	L	95.6	Very high	93.4	Very high	101 Å²	101	78.6 Å²	78.6	53%	0.529	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-38.4	174.9	-72.8	171.5	0	0	0	112.2	L481 G482 R483 R484 Q489 Q490	L481-L486 HydrophobicContact CB-CD2 4.26Å; L481-L486 HydrophobicContact CB-CG 4.27Å; L481-L486 HydrophobicContact CD1-CD2 4.41Å; G482-L486 WeakPolarHBondContact O-CB 3.37Å; G482-L486 VanDerWaalsContact O-CG 3.23Å; G482-L486 WeakPolarHBondContact O-CG 3.48Å; G482-L486 PolarHBondContact O-N 2.66Å; R483-L486 PolarHBondContact O-N 3.29Å; R484-L486 VanDerWaalsContact C-N 3.33Å; R484-L486 PolarHBondContact O-N 3.5Å; L486-Q489 PolarHBondContact O-N 2.57Å; L486-Q490 WeakPolarHBondContact O-CB 3.3Å; L486-Q490 PolarHBondContact O-N 3.27Å
487	I	96.3	Very high	94	Very high	84 Å²	84	79 Å²	79	43%	0.431	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-48.9	173.5	-69.7	163.7	0	0	0	110	R483 R484 Q489 Q490 H491	R483-I487 HydrophobicContact CG-CD1 4.18Å; R483-I487 WeakPolarHBondContact O-CD1 3.47Å; R483-I487 VanDerWaalsContact O-CG1 3.28Å; R483-I487 WeakPolarHBondContact O-CG1 3.44Å; R483-I487 PolarHBondContact O-N 2.91Å; R483-I487 VanDerWaalsContact O-N 3.11Å; R484-I487 PolarHBondContact O-N 3.35Å; I487-Q489 VanDerWaalsContact C-N 3.34Å; I487-Q489 PolarHBondContact O-N 3.08Å; I487-Q490 WeakPolarHBondContact O-CB 3.37Å; I487-Q490 PolarHBondContact O-N 3.21Å; I487-H491 PolarHBondContact O-CD2 2.81Å; I487-H491 PolarHBondContact O-N 3.26Å
488	L	96.6	Very high	94.6	Very high	5 Å²	5	82.8 Å²	82.8	3%	0.026	39%	0.386	C	S	.	.	H	α-helix	trans	-63.3	-39.6	177.9	-179.8	61	0	0	0	112.3	R484 E485 Q490 H491 F492 Q522 Y526 L541 L542	R484-L488 PolarHBondContact O-N 3.36Å; E485-L488 PolarHBondContact O-N 2.95Å; L488-Q490 VanDerWaalsContact C-N 3.29Å; L488-Q490 PolarHBondContact O-N 3.15Å; L488-H491 PolarHBondContact O-N 3.03Å; L488-F492 WeakPolarHBondContact O-CB 3.28Å; L488-F492 PolarHBondContact O-N 3.02Å; L488-Q522 HydrophobicContact CD1-CB 4.23Å; L488-Y526 HydrophobicContact CD2-CD1 3.42Å; L488-Y526 VanDerWaalsContact CD2-CD1 3.42Å; L488-Y526 HydrophobicContact CD2-CD2 4.38Å; L488-Y526 HydrophobicContact CD2-CE1 3.86Å; L488-Y526 HydrophobicContact CD2-CG 3.69Å; L488-L541 HydrophobicContact CB-CD2 4.03Å; L488-L541 HydrophobicContact CD2-CD2 3.76Å; L488-L541 HydrophobicContact CD2-CG 4.07Å; L488-L541 HydrophobicContact CG-CD2 3.92Å; L488-L541 HydrophobicContact CG-CG 4.37Å; L488-L542 HydrophobicContact CD2-CD2 4.3Å
489	Q	96.4	Very high	95.1	Very high	81 Å²	81	77.1 Å²	77.1	38%	0.379	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-39.6	174.8	179.6	69.1	11.6	0	0	111.4	E485 L486 I487 F492 K493	E485-Q489 WeakPolarHBondContact O-CB 3.37Å; E485-Q489 PolarHBondContact O-N 2.98Å; L486-Q489 PolarHBondContact O-N 2.57Å; I487-Q489 VanDerWaalsContact C-N 3.34Å; I487-Q489 PolarHBondContact O-N 3.08Å; Q489-F492 PolarHBondContact O-N 2.84Å; Q489-K493 PolarHBondContact O-N 3.37Å
490	Q	97.1	Very high	95.6	Very high	91 Å²	91	76.2 Å²	76.2	43%	0.425	35%	0.351	S	S	.	.	H	α-helix	trans	-66.5	-47.9	175.4	-175.7	56.1	43.6	0	0	111	L486 I487 L488 F492 K493 D494	L486-Q490 WeakPolarHBondContact O-CB 3.3Å; L486-Q490 PolarHBondContact O-N 3.27Å; I487-Q490 WeakPolarHBondContact O-CB 3.37Å; I487-Q490 PolarHBondContact O-N 3.21Å; L488-Q490 VanDerWaalsContact C-N 3.29Å; L488-Q490 PolarHBondContact O-N 3.15Å; Q490-F492 PolarHBondContact O-N 2.88Å; Q490-K493 WeakPolarHBondContact O-CB 3.22Å; Q490-K493 PolarHBondContact O-N 2.87Å; Q490-K493 VanDerWaalsContact O-N 3.09Å; Q490-D494 PolarHBondContact NE2-OD1 3.49Å; Q490-D494 PolarHBondContact NE2-OD2 2.95Å; Q490-D494 VanDerWaalsContact O-CG 3.3Å; Q490-D494 PolarHBondContact O-N 3Å
491	H	97.4	Very high	95.9	Very high	63 Å²	63	72.8 Å²	72.8	29%	0.292	34%	0.336	S	S	.	.	H	α-helix	trans	-55.9	-39.4	173	-75.6	-62.7	0	0	0	112.4	I487 L488 D494 A495 Q522	I487-H491 PolarHBondContact O-CD2 2.81Å; I487-H491 PolarHBondContact O-N 3.26Å; L488-H491 PolarHBondContact O-N 3.03Å; H491-D494 PolarHBondContact O-N 3.44Å; H491-A495 VanDerWaalsContact O-CB 3.25Å; H491-A495 WeakPolarHBondContact O-CB 3.43Å; H491-A495 PolarHBondContact O-N 2.88Å; H491-Q522 HydrophobicContact CB-CG 4.48Å
492	F	98.1	Very high	96.2	Very high	8 Å²	8	70.1 Å²	70.1	4%	0.035	32%	0.323	C	S	.	.	H	α-helix	trans	-65.4	-42.4	176.8	-178.7	-147.7	0	0	0	112.3	L488 Q489 Q490 K496 L519 L541 N544 V545 Y548	L488-F492 WeakPolarHBondContact O-CB 3.28Å; L488-F492 PolarHBondContact O-N 3.02Å; Q489-F492 PolarHBondContact O-N 2.84Å; Q490-F492 PolarHBondContact O-N 2.88Å; F492-K496 HydrophobicContact CD2-CG 4.41Å; F492-K496 HydrophobicContact CE2-CD 4.33Å; F492-K496 HydrophobicContact CE2-CG 4.24Å; F492-K496 HydrophobicContact CZ-CD 4.47Å; F492-K496 WeakPolarHBondContact O-CG 3.35Å; F492-K496 PolarHBondContact O-N 2.97Å; F492-K496 VanDerWaalsContact O-N 3.1Å; F492-L519 HydrophobicContact CB-CD1 4.36Å; F492-L519 HydrophobicContact CD2-CD1 4.46Å; F492-L519 HydrophobicContact CD2-CD2 3.97Å; F492-L519 HydrophobicContact CE2-CD2 4.43Å; F492-L541 HydrophobicContact CD1-CD1 4.33Å; F492-N544 HydrophobicContact CE1-CB 4.08Å; F492-N544 WeakPolarHBondContact CZ-O 3.49Å; F492-V545 HydrophobicContact CB-CG2 4.22Å; F492-V545 HydrophobicContact CD1-CG2 3.93Å; F492-V545 HydrophobicContact CD2-CG2 3.79Å; F492-V545 HydrophobicContact CE1-CG2 4.14Å; F492-V545 HydrophobicContact CE2-CB 4.35Å; F492-V545 HydrophobicContact CE2-CG2 3.99Å; F492-V545 HydrophobicContact CG-CG2 3.74Å; F492-V545 HydrophobicContact CZ-CG2 4.15Å; F492-Y548 AromaticContact CE2-CD1 3.76Å; F492-Y548 HydrophobicContact CE2-CD1 3.76Å; F492-Y548 AromaticContact CE2-CG 3.85Å; F492-Y548 HydrophobicContact CE2-CG 3.85Å; F492-Y548 HydrophobicContact CZ-CG 4.25Å
493	K	97.1	Very high	96.4	Very high	138 Å²	138	68.7 Å²	68.7	60%	0.6	31%	0.308	S	S	*	.	H	α-helix	trans	-62.6	-45	174.8	-175.9	-177.3	174.8	-173.5	0	111.3	Q489 Q490 K496 F497	Q489-K493 PolarHBondContact O-N 3.37Å; Q490-K493 WeakPolarHBondContact O-CB 3.22Å; Q490-K493 PolarHBondContact O-N 2.87Å; Q490-K493 VanDerWaalsContact O-N 3.09Å; K493-K496 WeakPolarHBondContact O-CB 3.05Å; K493-K496 PolarHBondContact O-N 3.37Å; K493-F497 PolarHBondContact O-N 3.43Å; K493-F497 VanDerWaalsContact O-N 3.12Å
494	D	97	Very high	96.6	Very high	61 Å²	61	58.8 Å²	58.8	33%	0.326	27%	0.272	S	S	.	.	H	α-helix	trans	-66.8	-39.6	-179.8	-65.8	-24.8	0	0	0	111.6	Q490 H491 K496 F497 K498	Q490-D494 PolarHBondContact NE2-OD1 3.49Å; Q490-D494 PolarHBondContact NE2-OD2 2.95Å; Q490-D494 VanDerWaalsContact O-CG 3.3Å; Q490-D494 PolarHBondContact O-N 3Å; H491-D494 PolarHBondContact O-N 3.44Å; D494-K496 PolarHBondContact O-N 2.98Å; D494-F497 PolarHBondContact O-N 2.97Å; D494-K498 WeakPolarHBondContact O-CB 3.47Å; D494-K498 WeakPolarHBondContact O-CG 3.25Å; D494-K498 PolarHBondContact O-N 3.43Å
495	A	97.9	Very high	96.7	Very high	6 Å²	6	58.1 Å²	58.1	5%	0.05	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-43.5	173.9	0	0	0	0	0	111.8	H491 F497 K498 V499 T515 L519	H491-A495 VanDerWaalsContact O-CB 3.25Å; H491-A495 WeakPolarHBondContact O-CB 3.43Å; H491-A495 PolarHBondContact O-N 2.88Å; A495-F497 VanDerWaalsContact C-N 3.32Å; A495-F497 PolarHBondContact O-N 3.32Å; A495-K498 PolarHBondContact O-N 3.31Å; A495-V499 WeakPolarHBondContact O-CB 3.2Å; A495-V499 VanDerWaalsContact O-CG2 3.3Å; A495-V499 WeakPolarHBondContact O-CG2 3.36Å; A495-V499 PolarHBondContact O-N 3.09Å; A495-T515 HydrophobicContact CB-CG2 3.9Å; A495-L519 HydrophobicContact CB-CB 4.17Å; A495-L519 HydrophobicContact CB-CD1 4.16Å; A495-L519 HydrophobicContact CB-CD2 3.87Å; A495-L519 HydrophobicContact CB-CG 4.3Å
496	K	97.1	Very high	96.7	Very high	88 Å²	88	57.3 Å²	57.3	38%	0.383	27%	0.271	S	S	.	.	H	α-helix	trans	-58.7	-44.5	174.9	-74	-179.6	179.8	179.6	0	112.1	F492 K493 D494 H500 Y548	F492-K496 HydrophobicContact CD2-CG 4.41Å; F492-K496 HydrophobicContact CE2-CD 4.33Å; F492-K496 HydrophobicContact CE2-CG 4.24Å; F492-K496 HydrophobicContact CZ-CD 4.47Å; F492-K496 WeakPolarHBondContact O-CG 3.35Å; F492-K496 PolarHBondContact O-N 2.97Å; F492-K496 VanDerWaalsContact O-N 3.1Å; K493-K496 WeakPolarHBondContact O-CB 3.05Å; K493-K496 PolarHBondContact O-N 3.37Å; D494-K496 PolarHBondContact O-N 2.98Å; K496-H500 WeakPolarHBondContact O-CB 3.48Å; K496-H500 PolarHBondContact O-N 3.22Å; K496-Y548 HydrophobicContact CD-CE2 4.47Å; K496-Y548 HydrophobicContact CG-CD1 4.41Å; K496-Y548 HydrophobicContact CG-CD2 4.27Å; K496-Y548 HydrophobicContact CG-CE1 4Å; K496-Y548 HydrophobicContact CG-CE2 3.86Å
497	F	95.7	Very high	96.8	Very high	115 Å²	115	52.5 Å²	52.5	50%	0.504	25%	0.246	S	C	.	.	H	α-helix	trans	-66.3	-46.2	178.4	178.5	-101.6	0	0	0	111.9	K493 D494 A495 V499 H500 K501	K493-F497 PolarHBondContact O-N 3.43Å; K493-F497 VanDerWaalsContact O-N 3.12Å; D494-F497 PolarHBondContact O-N 2.97Å; A495-F497 VanDerWaalsContact C-N 3.32Å; A495-F497 PolarHBondContact O-N 3.32Å; F497-V499 PolarHBondContact O-N 3.26Å; F497-H500 PolarHBondContact O-N 3.38Å; F497-K501 HydrophobicContact CE1-CD 4.45Å; F497-K501 WeakPolarHBondContact O-CB 3.46Å; F497-K501 PolarHBondContact O-N 3.44Å
498	K	97.1	Very high	96.8	Very high	87 Å²	87	50 Å²	50	38%	0.378	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-46.2	176.1	-77.4	176.1	175.4	-179.1	0	111.8	D494 A495 K501 A502 T515 E518	D494-K498 WeakPolarHBondContact O-CB 3.47Å; D494-K498 WeakPolarHBondContact O-CG 3.25Å; D494-K498 PolarHBondContact O-N 3.43Å; A495-K498 PolarHBondContact O-N 3.31Å; K498-K501 PolarHBondContact O-N 3.31Å; K498-A502 WeakPolarHBondContact O-CB 3.43Å; K498-A502 PolarHBondContact O-N 3.03Å; K498-T515 HydrophobicContact CB-CG2 3.74Å; K498-T515 HydrophobicContact CD-CG2 4.02Å; K498-E518 IonicContact NZ-OE1 3.75Å; K498-E518 PolarHBondContact NZ-OE1 3.26Å; K498-E518 IonicContact NZ-OE2 3.33Å; K498-E518 PolarHBondContact NZ-OE2 2.88Å
499	V	97.6	Very high	96.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-47.1	176	169.1	0	0	0	0	110.7	A495 F497 K501 A502 L503 A512 T515 Y548 L552	A495-V499 WeakPolarHBondContact O-CB 3.2Å; A495-V499 VanDerWaalsContact O-CG2 3.3Å; A495-V499 WeakPolarHBondContact O-CG2 3.36Å; A495-V499 PolarHBondContact O-N 3.09Å; F497-V499 PolarHBondContact O-N 3.26Å; V499-K501 PolarHBondContact O-N 2.93Å; V499-A502 PolarHBondContact O-N 2.92Å; V499-L503 HydrophobicContact CG1-CD1 4.01Å; V499-L503 HydrophobicContact CG1-CG 4.38Å; V499-L503 WeakPolarHBondContact O-CG 3.43Å; V499-L503 PolarHBondContact O-N 3.11Å; V499-A512 HydrophobicContact CG1-CB 4.2Å; V499-A512 HydrophobicContact CG2-CB 4.48Å; V499-T515 HydrophobicContact CG2-CG2 3.86Å; V499-Y548 WeakPolarHBondContact CB-OH 3.2Å; V499-Y548 WeakPolarHBondContact CG1-OH 3.26Å; V499-L552 HydrophobicContact CG1-CD1 4.03Å; V499-L552 HydrophobicContact CG1-CD2 4.07Å; V499-L552 HydrophobicContact CG2-CD1 4.4Å
500	H	96.7	Very high	96.9	Very high	59 Å²	59	53.1 Å²	53.1	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-58.5	-48.1	177.6	-175.6	68.7	0	0	0	111.6	Y77 K496 F497 A502 L503 C504	Y77-H500 AromaticContact CE1-ND1 3.46Å; Y77-H500 WeakPolarHBondContact CE1-ND1 3.33Å; Y77-H500 AromaticContact CZ-ND1 3.63Å; Y77-H500 VanDerWaalsContact OH-CA 3.25Å; Y77-H500 WeakPolarHBondContact OH-CA 3.33Å; Y77-H500 VanDerWaalsContact OH-CB 3.24Å; Y77-H500 WeakPolarHBondContact OH-CB 3.41Å; Y77-H500 PolarHBondContact OH-ND1 3.26Å; K496-H500 WeakPolarHBondContact O-CB 3.48Å; K496-H500 PolarHBondContact O-N 3.22Å; F497-H500 PolarHBondContact O-N 3.38Å; H500-A502 VanDerWaalsContact C-N 3.32Å; H500-A502 PolarHBondContact O-N 3.02Å; H500-L503 PolarHBondContact O-N 3.41Å; H500-C504 PolarHBondContact O-N 3.01Å; H500-C504 PolarHBondContact O-SG 2.85Å
501	K	95.8	Very high	96.9	Very high	130 Å²	130	51.6 Å²	51.6	57%	0.565	24%	0.24	S	C	*	.	H	α-helix	trans	-58.6	-42.1	177.3	-174.5	178.7	179.2	179.7	0	112.4	F497 K498 V499 C504 D505	F497-K501 HydrophobicContact CE1-CD 4.45Å; F497-K501 WeakPolarHBondContact O-CB 3.46Å; F497-K501 PolarHBondContact O-N 3.44Å; K498-K501 PolarHBondContact O-N 3.31Å; V499-K501 PolarHBondContact O-N 2.93Å; K501-C504 PolarHBondContact O-N 3.16Å; K501-D505 PolarHBondContact O-N 2.85Å
502	A	97	Very high	96.9	Very high	7 Å²	7	48.6 Å²	48.6	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-44.5	176.6	0	0	0	0	0	111.9	K498 V499 H500 C504 D505 D508 T511 A512	K498-A502 WeakPolarHBondContact O-CB 3.43Å; K498-A502 PolarHBondContact O-N 3.03Å; V499-A502 PolarHBondContact O-N 2.92Å; H500-A502 VanDerWaalsContact C-N 3.32Å; H500-A502 PolarHBondContact O-N 3.02Å; A502-C504 VanDerWaalsContact C-N 3.31Å; A502-C504 PolarHBondContact O-N 3.37Å; A502-D505 PolarHBondContact O-N 3.34Å; A502-D508 HydrophobicContact CB-CB 4.4Å; A502-D508 WeakPolarHBondContact O-CB 3.41Å; A502-D508 PolarHBondContact O-N 3.08Å; A502-D508 VanDerWaalsContact O-N 3.1Å; A502-T511 HydrophobicContact CB-CG2 3.94Å; A502-A512 HydrophobicContact CB-CB 4.49Å
503	L	97.1	Very high	96.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-32.1	178	-66.4	179.2	0	0	0	112.7	L22 V73 Y77 F78 V499 H500 D505 V507 T509 A512 F556	L22-L503 WeakPolarHBondContact CD1-O 3.49Å; V73-L503 HydrophobicContact CG1-CD2 4.45Å; Y77-L503 HydrophobicContact CD1-CD1 4Å; Y77-L503 HydrophobicContact CD2-CD1 3.93Å; Y77-L503 HydrophobicContact CE1-CB 4.36Å; Y77-L503 HydrophobicContact CE1-CD1 3.84Å; Y77-L503 HydrophobicContact CE2-CD1 3.77Å; Y77-L503 HydrophobicContact CG-CD1 4.05Å; F78-L503 HydrophobicContact CE2-CB 4.37Å; F78-L503 HydrophobicContact CZ-CB 4.23Å; V499-L503 HydrophobicContact CG1-CD1 4.01Å; V499-L503 HydrophobicContact CG1-CG 4.38Å; V499-L503 WeakPolarHBondContact O-CG 3.43Å; V499-L503 PolarHBondContact O-N 3.11Å; H500-L503 PolarHBondContact O-N 3.41Å; L503-D505 PolarHBondContact O-N 2.91Å; L503-V507 HydrophobicContact CD2-CG1 4.29Å; L503-V507 WeakPolarHBondContact O-CA 3.36Å; L503-V507 PolarHBondContact O-N 3.3Å; L503-V507 VanDerWaalsContact O-N 3.15Å; L503-T509 HydrophobicContact CD2-CG2 4.43Å; L503-A512 HydrophobicContact CD2-CB 4.38Å; L503-F556 HydrophobicContact CD1-CZ 4.45Å; L503-F556 HydrophobicContact CD2-CE1 4Å; L503-F556 HydrophobicContact CD2-CZ 4.05Å
504	C	96.3	Very high	96.9	Very high	6 Å²	6	45 Å²	45	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-67.7	-21.1	171.6	-67.4	0	0	0	0	113	C20 K23 H500 K501 A502 S506	C20-C504 PolarHBondContact O-SG 3.3Å; K23-C504 PolarHBondContact N-O 3.34Å; H500-C504 PolarHBondContact O-N 3.01Å; H500-C504 PolarHBondContact O-SG 2.85Å; K501-C504 PolarHBondContact O-N 3.16Å; A502-C504 VanDerWaalsContact C-N 3.31Å; A502-C504 PolarHBondContact O-N 3.37Å; C504-S506 PolarHBondContact O-N 2.94Å
505	D	95.7	Very high	96.9	Very high	67 Å²	67	42.4 Å²	42.4	36%	0.358	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-95.5	65	-177.9	-171.7	29.7	0	0	0	112.9	K32 K501 A502 L503	K32-D505 WeakPolarHBondContact CD-OD1 3.28Å; K32-D505 WeakPolarHBondContact CE-OD1 3.33Å; K32-D505 PolarHBondContact NZ-O 3.49Å; K32-D505 IonicContact NZ-OD1 2.66Å; K32-D505 PolarHBondContact NZ-OD1 2.6Å; K32-D505 IonicContact NZ-OD2 3.27Å; K32-D505 PolarHBondContact NZ-OD2 3.09Å; K501-D505 PolarHBondContact O-N 2.85Å; A502-D505 PolarHBondContact O-N 3.34Å; L503-D505 PolarHBondContact O-N 2.91Å
506	S	95.5	Very high	96.9	Very high	5 Å²	5	42.2 Å²	42.2	4%	0.035	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	38	-177.7	-168.3	0	0	0	0	114	K23 Y25 W434 C504	K23-S506 WeakPolarHBondContact O-CA 3.16Å; K23-S506 PolarHBondContact O-N 3.11Å; Y25-S506 WeakPolarHBondContact CB-OG 3.3Å; Y25-S506 PolarHBondContact N-OG 3.49Å; W434-S506 PolarHBondContact NE1-O 3.39Å; C504-S506 PolarHBondContact O-N 2.94Å
507	V	97.1	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.			trans	56	53.4	177.5	-169.1	0	0	0	0	110.4	L22 L24 L70 V73 L74 L503 T509	L22-V507 HydrophobicContact CD1-CG2 4.36Å; L24-V507 HydrophobicContact CD2-CG2 4Å; L70-V507 HydrophobicContact CD1-CG1 4.49Å; L70-V507 HydrophobicContact CG-CB 4.27Å; L70-V507 HydrophobicContact CG-CG1 4.3Å; L70-V507 HydrophobicContact CG-CG2 4.32Å; V73-V507 HydrophobicContact CB-CG1 4Å; V73-V507 HydrophobicContact CG1-CG1 3.91Å; V73-V507 HydrophobicContact CG1-CG2 4.23Å; V73-V507 HydrophobicContact CG2-CG1 3.9Å; L74-V507 HydrophobicContact CD1-CG2 4.37Å; L503-V507 HydrophobicContact CD2-CG1 4.29Å; L503-V507 WeakPolarHBondContact O-CA 3.36Å; L503-V507 PolarHBondContact O-N 3.3Å; L503-V507 VanDerWaalsContact O-N 3.15Å; V507-T509 VanDerWaalsContact C-N 3.31Å; V507-T509 HydrophobicContact CG1-CG2 4.13Å; V507-T509 PolarHBondContact O-N 3.48Å
508	D	97.3	Very high	97	Very high	33 Å²	33	41 Å²	41	18%	0.176	19%	0.191	C	C	.	.			trans	-74.4	84.8	178.7	-175.7	1.8	0	0	0	111	A502 R510 T511 A512	A502-D508 HydrophobicContact CB-CB 4.4Å; A502-D508 WeakPolarHBondContact O-CB 3.41Å; A502-D508 PolarHBondContact O-N 3.08Å; A502-D508 VanDerWaalsContact O-N 3.1Å; D508-R510 VanDerWaalsContact C-N 3.28Å; D508-R510 PolarHBondContact O-N 3.42Å; D508-R510 WeakPolarHBondContact OD1-CB 3.47Å; D508-R510 PolarHBondContact OD1-N 3.21Å; D508-R510 VanDerWaalsContact OD1-N 3.16Å; D508-T511 PolarHBondContact OD1-N 2.73Å; D508-T511 VanDerWaalsContact OD1-N 3.09Å; D508-T511 WeakPolarHBondContact OD2-CB 3.29Å; D508-T511 PolarHBondContact OD2-OG1 3.3Å; D508-A512 PolarHBondContact O-N 3.36Å
509	T	97.1	Very high	97	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.043	18%	0.175	C	C	.	.	H	α-helix	trans	-69.4	-26.4	177.9	53.2	0	0	0	0	112.5	I69 L430 L503 V507 A512 L513 F556	I69-T509 HydrophobicContact CG2-CG2 3.92Å; L430-T509 HydrophobicContact CD2-CG2 3.63Å; L430-T509 CarbonylContact O-C 3.56Å; L430-T509 WeakPolarHBondContact O-CB 3.32Å; L430-T509 PolarHBondContact O-OG1 3.31Å; L503-T509 HydrophobicContact CD2-CG2 4.43Å; V507-T509 VanDerWaalsContact C-N 3.31Å; V507-T509 HydrophobicContact CG1-CG2 4.13Å; V507-T509 PolarHBondContact O-N 3.48Å; T509-A512 PolarHBondContact O-N 3.24Å; T509-L513 WeakPolarHBondContact O-CG 3.45Å; T509-L513 PolarHBondContact O-N 3.17Å; T509-F556 HydrophobicContact CG2-CD1 4.47Å; T509-F556 HydrophobicContact CG2-CE1 4.09Å; T509-F556 HydrophobicContact CG2-CZ 4.4Å
510	R	96.5	Very high	97	Very high	143 Å²	143	37.1 Å²	37.1	54%	0.54	17%	0.174	S	C	.	.	H	α-helix	trans	-63.8	-54.5	179.2	173.8	-176.9	172.7	-171.3	1.4	109.6	L430 M431 D508 A512 L513 D514	L430-R510 PolarHBondContact O-N 2.93Å; M431-R510 WeakPolarHBondContact O-CD 3.3Å; M431-R510 WeakPolarHBondContact O-CG 3.4Å; D508-R510 VanDerWaalsContact C-N 3.28Å; D508-R510 PolarHBondContact O-N 3.42Å; D508-R510 WeakPolarHBondContact OD1-CB 3.47Å; D508-R510 PolarHBondContact OD1-N 3.21Å; D508-R510 VanDerWaalsContact OD1-N 3.16Å; R510-A512 VanDerWaalsContact C-N 3.25Å; R510-A512 PolarHBondContact O-N 2.93Å; R510-L513 PolarHBondContact O-N 2.86Å; R510-L513 VanDerWaalsContact O-N 3.17Å; R510-D514 PolarHBondContact O-N 3.34Å
511	T	97.2	Very high	97	Very high	60 Å²	60	35.6 Å²	35.6	37%	0.368	18%	0.175	S	C	.	.	H	α-helix	trans	-63.3	-34.3	178	-60.1	0	0	0	0	111.5	A502 D508 T515	A502-T511 HydrophobicContact CB-CG2 3.94Å; D508-T511 PolarHBondContact OD1-N 2.73Å; D508-T511 VanDerWaalsContact OD1-N 3.09Å; D508-T511 WeakPolarHBondContact OD2-CB 3.29Å; D508-T511 PolarHBondContact OD2-OG1 3.3Å; T511-T515 WeakPolarHBondContact O-CB 3.24Å; T511-T515 PolarHBondContact O-N 3.35Å; T511-T515 PolarHBondContact O-OG1 2.81Å
512	A	97.7	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-45.7	173.7	0	0	0	0	0	112.2	V499 A502 L503 D508 T509 R510 T515 V516 F556	V499-A512 HydrophobicContact CG1-CB 4.2Å; V499-A512 HydrophobicContact CG2-CB 4.48Å; A502-A512 HydrophobicContact CB-CB 4.49Å; L503-A512 HydrophobicContact CD2-CB 4.38Å; D508-A512 PolarHBondContact O-N 3.36Å; T509-A512 PolarHBondContact O-N 3.24Å; R510-A512 VanDerWaalsContact C-N 3.25Å; R510-A512 PolarHBondContact O-N 2.93Å; A512-T515 WeakPolarHBondContact O-CB 3.4Å; A512-T515 PolarHBondContact O-N 3.26Å; A512-V516 WeakPolarHBondContact O-CG2 3.46Å; A512-V516 PolarHBondContact O-N 2.88Å; A512-F556 HydrophobicContact CB-CZ 4.37Å
513	L	97.4	Very high	97.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-68.4	-37.6	177.2	-69.6	-168.6	0	0	0	112.6	L430 M431 F451 T509 R510 T515 V516 R517 M553 F556	L430-L513 HydrophobicContact CB-CD1 3.54Å; L430-L513 HydrophobicContact CB-CG 4.4Å; M431-L513 HydrophobicContact CG-CD1 3.71Å; F451-L513 HydrophobicContact CE1-CD1 4.25Å; F451-L513 HydrophobicContact CE1-CD2 3.93Å; F451-L513 HydrophobicContact CE2-CB 4.24Å; F451-L513 HydrophobicContact CZ-CB 4.07Å; F451-L513 HydrophobicContact CZ-CD1 4.42Å; F451-L513 HydrophobicContact CZ-CD2 3.75Å; F451-L513 HydrophobicContact CZ-CG 4.29Å; T509-L513 WeakPolarHBondContact O-CG 3.45Å; T509-L513 PolarHBondContact O-N 3.17Å; R510-L513 PolarHBondContact O-N 2.86Å; R510-L513 VanDerWaalsContact O-N 3.17Å; L513-T515 VanDerWaalsContact C-N 3.29Å; L513-T515 PolarHBondContact O-N 3.47Å; L513-V516 WeakPolarHBondContact O-CB 3.36Å; L513-V516 PolarHBondContact O-N 3.37Å; L513-R517 PolarHBondContact O-N 2.84Å; L513-M553 HydrophobicContact CD2-CE 3.82Å; L513-F556 HydrophobicContact CD2-CD2 4.3Å; L513-F556 HydrophobicContact CD2-CE2 4.13Å
514	D	97.2	Very high	97	Very high	68 Å²	68	33.9 Å²	33.9	36%	0.364	17%	0.169	S	C	.	.	H	α-helix	trans	-62.8	-38.7	174	-72.8	-24.6	0	0	0	111	R510 R517 E518	R510-D514 PolarHBondContact O-N 3.34Å; D514-R517 WeakPolarHBondContact O-CB 3.34Å; D514-R517 PolarHBondContact O-N 2.82Å; D514-E518 PolarHBondContact O-N 2.99Å
515	T	98	Very high	96.9	Very high	8 Å²	8	37.6 Å²	37.6	5%	0.049	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-39.4	173.3	-57	0	0	0	0	111.9	A495 K498 V499 T511 A512 L513 E518 L519	A495-T515 HydrophobicContact CB-CG2 3.9Å; K498-T515 HydrophobicContact CB-CG2 3.74Å; K498-T515 HydrophobicContact CD-CG2 4.02Å; V499-T515 HydrophobicContact CG2-CG2 3.86Å; T511-T515 WeakPolarHBondContact O-CB 3.24Å; T511-T515 PolarHBondContact O-N 3.35Å; T511-T515 PolarHBondContact O-OG1 2.81Å; A512-T515 WeakPolarHBondContact O-CB 3.4Å; A512-T515 PolarHBondContact O-N 3.26Å; L513-T515 VanDerWaalsContact C-N 3.29Å; L513-T515 PolarHBondContact O-N 3.47Å; T515-E518 PolarHBondContact O-N 3.09Å; T515-L519 WeakPolarHBondContact O-CB 3.28Å; T515-L519 PolarHBondContact O-N 3.33Å
516	V	97.2	Very high	96.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-42.9	174.2	168.4	0	0	0	0	110.8	F451 A512 L513 L519 V520 I549 L552 M553	F451-V516 HydrophobicContact CZ-CG1 4.16Å; A512-V516 WeakPolarHBondContact O-CG2 3.46Å; A512-V516 PolarHBondContact O-N 2.88Å; L513-V516 WeakPolarHBondContact O-CB 3.36Å; L513-V516 PolarHBondContact O-N 3.37Å; V516-L519 PolarHBondContact O-N 3.42Å; V516-V520 HydrophobicContact CG1-CG2 4.47Å; V516-V520 WeakPolarHBondContact O-CG2 3.49Å; V516-V520 PolarHBondContact O-N 3.42Å; V516-I549 HydrophobicContact CG1-CD1 4.13Å; V516-I549 HydrophobicContact CG1-CG1 4.16Å; V516-I549 HydrophobicContact CG1-CG2 3.76Å; V516-L552 HydrophobicContact CG2-CD1 3.96Å; V516-M553 HydrophobicContact CG1-CE 4.09Å
517	R	97.3	Very high	96.8	Very high	93 Å²	93	34.6 Å²	34.6	35%	0.351	17%	0.17	S	C	.	.	H	α-helix	trans	-59.1	-47	175.2	-176.5	-176	-58.8	-162.6	-0.6	111.6	F451 L454 L513 D514 L519 V520 G521	F451-R517 HydrophobicContact CE2-CB 4.16Å; L454-R517 HydrophobicContact CD2-CB 4.28Å; L454-R517 HydrophobicContact CD2-CG 3.65Å; L513-R517 PolarHBondContact O-N 2.84Å; D514-R517 WeakPolarHBondContact O-CB 3.34Å; D514-R517 PolarHBondContact O-N 2.82Å; R517-L519 VanDerWaalsContact C-N 3.35Å; R517-L519 PolarHBondContact O-N 3.26Å; R517-V520 PolarHBondContact O-N 3.48Å; R517-G521 PolarHBondContact O-N 2.88Å
518	E	97.5	Very high	96.5	Very high	86 Å²	86	38.5 Å²	38.5	40%	0.402	19%	0.191	S	C	.	.	H	α-helix	trans	-57.6	-47.4	175.8	-172.4	-171.9	174.7	0	0	110.7	K498 D514 T515 G521 Q522	K498-E518 IonicContact NZ-OE1 3.75Å; K498-E518 PolarHBondContact NZ-OE1 3.26Å; K498-E518 IonicContact NZ-OE2 3.33Å; K498-E518 PolarHBondContact NZ-OE2 2.88Å; D514-E518 PolarHBondContact O-N 2.99Å; T515-E518 PolarHBondContact O-N 3.09Å; E518-G521 WeakPolarHBondContact O-CA 3.44Å; E518-G521 PolarHBondContact O-N 2.93Å; E518-G521 VanDerWaalsContact O-N 3.16Å; E518-Q522 WeakPolarHBondContact O-CG 3.5Å; E518-Q522 PolarHBondContact O-N 2.98Å
519	L	97.8	Very high	96.3	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-44.6	179.1	179.7	61.9	0	0	0	112.6	F492 A495 T515 V516 R517 G521 Q522 C523 V545 I549	F492-L519 HydrophobicContact CB-CD1 4.36Å; F492-L519 HydrophobicContact CD2-CD1 4.46Å; F492-L519 HydrophobicContact CD2-CD2 3.97Å; F492-L519 HydrophobicContact CE2-CD2 4.43Å; A495-L519 HydrophobicContact CB-CB 4.17Å; A495-L519 HydrophobicContact CB-CD1 4.16Å; A495-L519 HydrophobicContact CB-CD2 3.87Å; A495-L519 HydrophobicContact CB-CG 4.3Å; T515-L519 WeakPolarHBondContact O-CB 3.28Å; T515-L519 PolarHBondContact O-N 3.33Å; V516-L519 PolarHBondContact O-N 3.42Å; R517-L519 VanDerWaalsContact C-N 3.35Å; R517-L519 PolarHBondContact O-N 3.26Å; L519-G521 VanDerWaalsContact C-N 3.27Å; L519-G521 PolarHBondContact O-N 3.38Å; L519-Q522 PolarHBondContact O-N 3.21Å; L519-C523 PolarHBondContact O-N 2.87Å; L519-C523 PolarHBondContact O-SG 3.31Å; L519-V545 HydrophobicContact CD1-CG1 4.43Å; L519-V545 HydrophobicContact CD2-CG1 3.77Å; L519-V545 HydrophobicContact CG-CG1 3.95Å; L519-I549 HydrophobicContact CD2-CD1 4.38Å
520	V	97.2	Very high	96	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-40.6	174.8	170.8	0	0	0	0	110.6	L454 F458 V516 R517 C523 N524 I549	L454-V520 HydrophobicContact CD1-CG1 3.86Å; L454-V520 HydrophobicContact CD2-CG1 4.47Å; L454-V520 HydrophobicContact CG-CG1 3.99Å; F458-V520 HydrophobicContact CB-CG1 3.7Å; F458-V520 HydrophobicContact CB-CG2 4.41Å; F458-V520 HydrophobicContact CD1-CG2 4Å; F458-V520 HydrophobicContact CD2-CG1 4Å; F458-V520 HydrophobicContact CE1-CG2 4.43Å; F458-V520 HydrophobicContact CG-CG1 3.85Å; F458-V520 HydrophobicContact CG-CG2 4.03Å; V516-V520 HydrophobicContact CG1-CG2 4.47Å; V516-V520 WeakPolarHBondContact O-CG2 3.49Å; V516-V520 PolarHBondContact O-N 3.42Å; R517-V520 PolarHBondContact O-N 3.48Å; V520-C523 PolarHBondContact O-N 3.4Å; V520-N524 PolarHBondContact O-N 3.3Å; V520-N524 PolarHBondContact O-ND2 3.19Å; V520-I549 HydrophobicContact CG2-CD1 3.71Å
521	G	97.1	Very high	95.6	Very high	27 Å²	27	34.1 Å²	34.1	28%	0.278	18%	0.177	S	C	.	.	H	α-helix	trans	-56.9	-48.3	173	0	0	0	0	0	112.7	R517 E518 L519 C523 N524 I525	R517-G521 PolarHBondContact O-N 2.88Å; E518-G521 WeakPolarHBondContact O-CA 3.44Å; E518-G521 PolarHBondContact O-N 2.93Å; E518-G521 VanDerWaalsContact O-N 3.16Å; L519-G521 VanDerWaalsContact C-N 3.27Å; L519-G521 PolarHBondContact O-N 3.38Å; G521-C523 VanDerWaalsContact C-N 3.35Å; G521-C523 PolarHBondContact O-N 3.09Å; G521-N524 PolarHBondContact O-N 3.42Å; G521-I525 WeakPolarHBondContact O-CG1 3.24Å; G521-I525 PolarHBondContact O-N 3.2Å
522	Q	97.1	Very high	95.2	Very high	56 Å²	56	37.1 Å²	37.1	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-62.1	-39.9	176.8	-64	-55.2	-35.9	0	0	112.5	L488 H491 E518 L519 I525 Y526	L488-Q522 HydrophobicContact CD1-CB 4.23Å; H491-Q522 HydrophobicContact CB-CG 4.48Å; E518-Q522 WeakPolarHBondContact O-CG 3.5Å; E518-Q522 PolarHBondContact O-N 2.98Å; L519-Q522 PolarHBondContact O-N 3.21Å; Q522-I525 PolarHBondContact O-N 2.84Å; Q522-Y526 WeakPolarHBondContact O-CB 3.37Å; Q522-Y526 PolarHBondContact O-N 2.95Å
523	C	97	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-42.6	174	-69.9	0	0	0	0	112.3	F458 L519 V520 G521 Y526 I527 L542	F458-C523 HydrophobicContact CD2-CB 4.29Å; F458-C523 HydrophobicContact CE2-CB 3.54Å; F458-C523 HydrophobicContact CZ-CB 4.29Å; L519-C523 PolarHBondContact O-N 2.87Å; L519-C523 PolarHBondContact O-SG 3.31Å; V520-C523 PolarHBondContact O-N 3.4Å; G521-C523 VanDerWaalsContact C-N 3.35Å; G521-C523 PolarHBondContact O-N 3.09Å; C523-Y526 PolarHBondContact O-N 3.29Å; C523-I527 VanDerWaalsContact O-CG1 3.23Å; C523-I527 WeakPolarHBondContact O-CG1 3.36Å; C523-I527 PolarHBondContact O-N 2.93Å; C523-L542 HydrophobicContact CB-CD2 4.16Å
524	N	95.2	Very high	94.1	Very high	46 Å²	46	49.6 Å²	49.6	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-40.3	179.3	-73.5	-23.5	0	0	0	112	V520 G521 I527 N528	V520-N524 PolarHBondContact O-N 3.3Å; V520-N524 PolarHBondContact O-ND2 3.19Å; G521-N524 PolarHBondContact O-N 3.42Å; N524-I527 PolarHBondContact O-N 3.39Å; N524-N528 WeakPolarHBondContact O-CB 3.4Å; N524-N528 PolarHBondContact O-N 3.33Å; N524-N528 PolarHBondContact O-ND2 2.8Å
525	I	95	Very high	93.7	Very high	83 Å²	83	52.7 Å²	52.7	43%	0.426	25%	0.249	S	C	.	.	H	α-helix	trans	-58.4	-50.7	172.6	-67.3	166.2	0	0	0	109.9	G521 Q522 I527 N528 E529	G521-I525 WeakPolarHBondContact O-CG1 3.24Å; G521-I525 PolarHBondContact O-N 3.2Å; Q522-I525 PolarHBondContact O-N 2.84Å; I525-I527 PolarHBondContact O-N 2.93Å; I525-N528 PolarHBondContact O-N 3.31Å; I525-E529 HydrophobicContact CG2-CG 4.39Å; I525-E529 WeakPolarHBondContact O-CG 3.18Å; I525-E529 PolarHBondContact O-N 2.74Å
526	Y	95.6	Very high	93.2	Very high	9 Å²	9	56.1 Å²	56.1	4%	0.035	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-45.5	178.4	165.4	-104.9	0	0	0	113.1	R484 E485 L488 Q522 C523 N528 E529 E530 P537 C538 L542	R484-Y526 HydrophobicContact CB-CD2 4.24Å; R484-Y526 HydrophobicContact CB-CE2 4.24Å; E485-Y526 HydrophobicContact CG-CE2 4.11Å; E485-Y526 WeakPolarHBondContact CG-OH 3.42Å; E485-Y526 PolarHBondContact OE1-OH 3.1Å; L488-Y526 HydrophobicContact CD2-CD1 3.42Å; L488-Y526 VanDerWaalsContact CD2-CD1 3.42Å; L488-Y526 HydrophobicContact CD2-CD2 4.38Å; L488-Y526 HydrophobicContact CD2-CE1 3.86Å; L488-Y526 HydrophobicContact CD2-CG 3.69Å; Q522-Y526 WeakPolarHBondContact O-CB 3.37Å; Q522-Y526 PolarHBondContact O-N 2.95Å; C523-Y526 PolarHBondContact O-N 3.29Å; Y526-N528 VanDerWaalsContact C-N 3.31Å; Y526-N528 PolarHBondContact O-N 3.41Å; Y526-E529 PolarHBondContact O-N 2.9Å; Y526-E530 HydrophobicContact CD2-CG 4.14Å; Y526-E530 HydrophobicContact CE2-CG 3.66Å; Y526-E530 PolarHBondContact O-N 2.94Å; Y526-P537 HydrophobicContact CD1-CB 4.48Å; Y526-P537 HydrophobicContact CE1-CB 3.67Å; Y526-C538 VanDerWaalsContact OH-CB 3.27Å; Y526-C538 WeakPolarHBondContact OH-CB 3.36Å; Y526-C538 PolarHBondContact OH-N 3Å; Y526-L542 HydrophobicContact CD1-CD2 4.07Å; Y526-L542 HydrophobicContact CE1-CD1 4.37Å; Y526-L542 HydrophobicContact CE1-CD2 4.2Å; Y526-L542 HydrophobicContact CE1-CG 4.23Å
527	I	93	Very high	92.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-41.9	177.7	-67.4	163.2	0	0	0	110.7	T461 Y465 C523 N524 I525 E530 S531 L542	T461-I527 HydrophobicContact CG2-CD1 4.17Å; Y465-I527 HydrophobicContact CE2-CG2 3.61Å; C523-I527 VanDerWaalsContact O-CG1 3.23Å; C523-I527 WeakPolarHBondContact O-CG1 3.36Å; C523-I527 PolarHBondContact O-N 2.93Å; N524-I527 PolarHBondContact O-N 3.39Å; I525-I527 PolarHBondContact O-N 2.93Å; I527-E530 PolarHBondContact O-N 3.04Å; I527-S531 WeakPolarHBondContact O-CB 3.45Å; I527-S531 PolarHBondContact O-N 2.95Å; I527-L542 HydrophobicContact CD1-CD1 3.98Å; I527-L542 HydrophobicContact CD1-CD2 4.06Å; I527-L542 HydrophobicContact CG1-CD1 3.76Å; I527-L542 HydrophobicContact CG1-CD2 4.09Å
528	N	91.8	Very high	92.7	Very high	83 Å²	83	52.3 Å²	52.3	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-65.4	-44.7	178	-71.1	-16.8	0	0	0	111.3	N524 I525 Y526 E530 S531 E532	N524-N528 WeakPolarHBondContact O-CB 3.4Å; N524-N528 PolarHBondContact O-N 3.33Å; N524-N528 PolarHBondContact O-ND2 2.8Å; I525-N528 PolarHBondContact O-N 3.31Å; Y526-N528 VanDerWaalsContact C-N 3.31Å; Y526-N528 PolarHBondContact O-N 3.41Å; N528-E530 VanDerWaalsContact C-N 3.33Å; N528-E530 PolarHBondContact O-N 3.36Å; N528-S531 PolarHBondContact O-N 3Å; N528-E532 WeakPolarHBondContact O-CG 3.39Å; N528-E532 PolarHBondContact O-N 2.87Å
529	E	92.2	Very high	92.4	Very high	73 Å²	73	48.6 Å²	48.6	34%	0.341	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-35	177.9	-76.1	-171.8	-171.4	0	0	113.8	R484 I525 Y526 A533	R484-E529 WeakPolarHBondContact CD-OE2 3.36Å; R484-E529 IonicContact CZ-OE2 2.73Å; R484-E529 IonicContact NE-OE2 3.69Å; R484-E529 PolarHBondContact NE-OE2 3.2Å; R484-E529 PolarHBondContact NH1-O 3.27Å; R484-E529 IonicContact NH2-OE2 3.07Å; I525-E529 HydrophobicContact CG2-CG 4.39Å; I525-E529 WeakPolarHBondContact O-CG 3.18Å; I525-E529 PolarHBondContact O-N 2.74Å; Y526-E529 PolarHBondContact O-N 2.9Å; E529-A533 WeakPolarHBondContact O-CB 3.3Å; E529-A533 PolarHBondContact O-N 2.81Å
530	E	91.2	Very high	92	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-74.3	-40.1	174.1	-69.5	-52.5	118.9	0	0	111.4	R484 Y526 I527 N528 E532 A533 R534 R535 P537	R484-E530 WeakPolarHBondContact CD-OE1 3.43Å; R484-E530 IonicContact CZ-OE1 3.82Å; R484-E530 IonicContact NE-OE1 2.69Å; R484-E530 IonicContact NH1-OE1 2.8Å; R484-E530 PolarHBondContact NH1-OE1 2.91Å; Y526-E530 HydrophobicContact CD2-CG 4.14Å; Y526-E530 HydrophobicContact CE2-CG 3.66Å; Y526-E530 PolarHBondContact O-N 2.94Å; I527-E530 PolarHBondContact O-N 3.04Å; N528-E530 VanDerWaalsContact C-N 3.33Å; N528-E530 PolarHBondContact O-N 3.36Å; E530-E532 PolarHBondContact O-N 3.21Å; E530-A533 CarbonylContact O-C 3.54Å; E530-A533 PolarHBondContact O-N 3.39Å; E530-A533 VanDerWaalsContact O-N 3.15Å; E530-R534 PolarHBondContact O-N 3.36Å; E530-R534 VanDerWaalsContact O-N 3.09Å; E530-R535 CarbonylContact C-O 3.58Å; E530-R535 HydrophobicContact CB-CB 4.48Å; E530-R535 PolarHBondContact O-N 3.12Å; E530-R535 IonicContact OE1-NH1 3.13Å; E530-R535 PolarHBondContact OE1-NH1 3.31Å; E530-R535 WeakPolarHBondContact OE2-CB 3.38Å; E530-R535 IonicContact OE2-CZ 3.13Å; E530-R535 IonicContact OE2-NE 3.49Å; E530-R535 IonicContact OE2-NH1 3.93Å; E530-R535 PolarHBondContact OE2-NH1 3.02Å; E530-R535 VanDerWaalsContact OE2-NH1 3.07Å; E530-P537 HydrophobicContact CB-CB 4.26Å; E530-P537 HydrophobicContact CG-CB 4.37Å
531	S	87.7	Confident	91.8	Very high	14 Å²	14	50.8 Å²	50.8	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-43.3	172.9	175.8	0	0	0	0	111.9	I527 N528 A533 R534 K650	I527-S531 WeakPolarHBondContact O-CB 3.45Å; I527-S531 PolarHBondContact O-N 2.95Å; N528-S531 PolarHBondContact O-N 3Å; S531-A533 VanDerWaalsContact C-N 3.28Å; S531-A533 PolarHBondContact O-N 3.44Å; S531-R534 PolarHBondContact O-N 2.88Å; S531-K650 PolarHBondContact OG-N 3.04Å; S531-K650 PolarHBondContact OG-O 3.43Å
532	E	88.2	Confident	91.7	Very high	124 Å²	124	49.5 Å²	49.5	58%	0.579	24%	0.239	S	C	*	.	H	α-helix	trans	-63.7	-34.7	175.4	-72.7	-165.3	143.6	0	0	112.8	N528 E530 R534 K650	N528-E532 WeakPolarHBondContact O-CG 3.39Å; N528-E532 PolarHBondContact O-N 2.87Å; E530-E532 PolarHBondContact O-N 3.21Å; E532-R534 PolarHBondContact O-N 2.99Å; E532-K650 HydrophobicContact CG-CD 4.25Å; E532-K650 IonicContact OE1-NZ 3.49Å; E532-K650 PolarHBondContact OE1-NZ 2.95Å; E532-K650 VanDerWaalsContact OE1-NZ 3.13Å
533	A	88.5	Confident	91.4	Very high	38 Å²	38	49.3 Å²	49.3	31%	0.314	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	3.7	174.4	0	0	0	0	0	113.8	E529 E530 S531 R535	E529-A533 WeakPolarHBondContact O-CB 3.3Å; E529-A533 PolarHBondContact O-N 2.81Å; E530-A533 CarbonylContact O-C 3.54Å; E530-A533 PolarHBondContact O-N 3.39Å; E530-A533 VanDerWaalsContact O-N 3.15Å; S531-A533 VanDerWaalsContact C-N 3.28Å; S531-A533 PolarHBondContact O-N 3.44Å; A533-R535 HydrophobicContact CB-CG 4.47Å; A533-R535 PolarHBondContact O-N 2.96Å
534	R	85	Confident	91.1	Very high	224 Å²	224	52.2 Å²	52.2	85%	0.845	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.7	-174	-58.9	-178.2	-178.8	177.8	-1.8	112.9	E530 S531 E532	E530-R534 PolarHBondContact O-N 3.36Å; E530-R534 VanDerWaalsContact O-N 3.09Å; S531-R534 PolarHBondContact O-N 2.88Å; E532-R534 PolarHBondContact O-N 2.99Å
535	R	87.1	Confident	91.1	Very high	134 Å²	134	50 Å²	50	51%	0.506	24%	0.239	S	C	.	.			trans	-113.5	147.9	178.1	-76.5	-174.8	-105.7	142.4	-11.3	110.4	E530 A533	E530-R535 CarbonylContact C-O 3.58Å; E530-R535 HydrophobicContact CB-CB 4.48Å; E530-R535 PolarHBondContact O-N 3.12Å; E530-R535 IonicContact OE1-NH1 3.13Å; E530-R535 PolarHBondContact OE1-NH1 3.31Å; E530-R535 WeakPolarHBondContact OE2-CB 3.38Å; E530-R535 IonicContact OE2-CZ 3.13Å; E530-R535 IonicContact OE2-NE 3.49Å; E530-R535 IonicContact OE2-NH1 3.93Å; E530-R535 PolarHBondContact OE2-NH1 3.02Å; E530-R535 VanDerWaalsContact OE2-NH1 3.07Å; A533-R535 HydrophobicContact CB-CG 4.47Å; A533-R535 PolarHBondContact O-N 2.96Å
536	V	88	Confident	91	Very high	80 Å²	80	46 Å²	46	49%	0.485	22%	0.219	S	C	.	.			trans	-79.3	124.8	173.9	178.2	0	0	0	0	108.1	H469	H469-V536 HydrophobicContact CB-CG1 3.76Å; H469-V536 VanDerWaalsContact CG-CG1 3.49Å
537	P	91.6	Very high	90.7	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.019	23%	0.229	C	C	.	.			trans	-64.6	145.8	177.7	27.1	-34.1	0	0	0	110.8	Y465 Y526 E530 C539 L542	Y465-P537 HydrophobicContact CD1-CG 3.68Å; Y465-P537 HydrophobicContact CD2-CG 4.3Å; Y465-P537 HydrophobicContact CE1-CG 3.72Å; Y465-P537 HydrophobicContact CE2-CG 4.34Å; Y465-P537 HydrophobicContact CG-CG 3.99Å; Y526-P537 HydrophobicContact CD1-CB 4.48Å; Y526-P537 HydrophobicContact CE1-CB 3.67Å; E530-P537 HydrophobicContact CB-CB 4.26Å; E530-P537 HydrophobicContact CG-CB 4.37Å; P537-C539 PolarHBondContact O-N 3.49Å; P537-C539 PolarHBondContact O-SG 3.27Å; P537-L542 HydrophobicContact CB-CD1 3.87Å; P537-L542 HydrophobicContact CG-CD1 4.04Å
538	C	92.4	Very high	90.8	Very high	10 Å²	10	49.4 Å²	49.4	7%	0.068	24%	0.235	C	C	.	.			trans	-52.9	97.2	171.6	-174.6	0	0	0	0	112	V479 E485 Y526 L540 L541 L542	V479-C538 HydrophobicContact CG2-CB 4.07Å; E485-C538 HydrophobicContact CG-CB 3.94Å; Y526-C538 VanDerWaalsContact OH-CB 3.27Å; Y526-C538 WeakPolarHBondContact OH-CB 3.36Å; Y526-C538 PolarHBondContact OH-N 3Å; C538-L540 VanDerWaalsContact C-N 3.33Å; C538-L540 PolarHBondContact O-N 2.87Å; C538-L541 HydrophobicContact CB-CB 4.23Å; C538-L541 PolarHBondContact O-N 3.49Å; C538-L542 PolarHBondContact O-N 3.32Å
539	C	91.3	Very high	90.9	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.061	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-33	-173.4	-67.7	0	0	0	0	112.4	Y465 V466 F470 P537 L541 L542 R543	Y465-C539 PolarHBondContact O-SG 3.46Å; V466-C539 HydrophobicContact CG2-CB 4.41Å; F470-C539 HydrophobicContact CB-CB 3.78Å; F470-C539 HydrophobicContact CD2-CB 4.37Å; F470-C539 HydrophobicContact CG-CB 4.42Å; P537-C539 PolarHBondContact O-N 3.49Å; P537-C539 PolarHBondContact O-SG 3.27Å; C539-L541 VanDerWaalsContact C-N 3.35Å; C539-L541 PolarHBondContact O-N 3.36Å; C539-L542 PolarHBondContact O-N 3.45Å; C539-R543 WeakPolarHBondContact O-CB 3.41Å; C539-R543 PolarHBondContact O-N 3Å
540	L	90.2	Very high	90.8	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.246	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-42.8	176.5	-179.6	59.8	0	0	0	111.8	F470 F478 C538 N544	F470-L540 HydrophobicContact CD2-CB 4.35Å; F470-L540 HydrophobicContact CE2-CB 3.94Å; F470-L540 HydrophobicContact CE2-CD1 3.84Å; F470-L540 HydrophobicContact CE2-CG 4.39Å; F470-L540 HydrophobicContact CZ-CD1 3.97Å; F478-L540 HydrophobicContact CD1-CD2 4.07Å; F478-L540 HydrophobicContact CE1-CD2 4.24Å; C538-L540 VanDerWaalsContact C-N 3.33Å; C538-L540 PolarHBondContact O-N 2.87Å; L540-N544 WeakPolarHBondContact O-CB 3.12Å; L540-N544 PolarHBondContact O-N 3.46Å; L540-N544 PolarHBondContact O-ND2 2.88Å
541	L	93.3	Very high	90.8	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-50.1	178.3	178.5	51.8	0	0	0	111.1	E485 L488 F492 C538 C539 R543 N544 V545	E485-L541 HydrophobicContact CB-CD2 4.29Å; L488-L541 HydrophobicContact CB-CD2 4.03Å; L488-L541 HydrophobicContact CD2-CD2 3.76Å; L488-L541 HydrophobicContact CD2-CG 4.07Å; L488-L541 HydrophobicContact CG-CD2 3.92Å; L488-L541 HydrophobicContact CG-CG 4.37Å; F492-L541 HydrophobicContact CD1-CD1 4.33Å; C538-L541 HydrophobicContact CB-CB 4.23Å; C538-L541 PolarHBondContact O-N 3.49Å; C539-L541 VanDerWaalsContact C-N 3.35Å; C539-L541 PolarHBondContact O-N 3.36Å; L541-R543 VanDerWaalsContact C-N 3.33Å; L541-R543 PolarHBondContact O-N 2.81Å; L541-N544 PolarHBondContact O-N 3.25Å; L541-N544 VanDerWaalsContact O-N 3.14Å; L541-V545 WeakPolarHBondContact O-CG2 3.1Å; L541-V545 PolarHBondContact O-N 2.9Å
542	L	93.6	Very high	91.1	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.2	-43.3	177.1	-68.9	177.9	0	0	0	112.2	V462 L488 C523 Y526 I527 P537 C538 C539 N544 V545 A546	V462-L542 HydrophobicContact CG1-CB 4.06Å; V462-L542 HydrophobicContact CG2-CB 4.14Å; L488-L542 HydrophobicContact CD2-CD2 4.3Å; C523-L542 HydrophobicContact CB-CD2 4.16Å; Y526-L542 HydrophobicContact CD1-CD2 4.07Å; Y526-L542 HydrophobicContact CE1-CD1 4.37Å; Y526-L542 HydrophobicContact CE1-CD2 4.2Å; Y526-L542 HydrophobicContact CE1-CG 4.23Å; I527-L542 HydrophobicContact CD1-CD1 3.98Å; I527-L542 HydrophobicContact CD1-CD2 4.06Å; I527-L542 HydrophobicContact CG1-CD1 3.76Å; I527-L542 HydrophobicContact CG1-CD2 4.09Å; P537-L542 HydrophobicContact CB-CD1 3.87Å; P537-L542 HydrophobicContact CG-CD1 4.04Å; C538-L542 PolarHBondContact O-N 3.32Å; C539-L542 PolarHBondContact O-N 3.45Å; L542-N544 VanDerWaalsContact C-N 3.33Å; L542-N544 PolarHBondContact O-N 3.13Å; L542-V545 PolarHBondContact O-N 2.86Å; L542-A546 WeakPolarHBondContact O-CB 3.09Å; L542-A546 PolarHBondContact O-N 3.31Å
543	R	90.6	Very high	91.3	Very high	51 Å²	51	40.2 Å²	40.2	19%	0.192	19%	0.186	C	C	.	.	H	α-helix	trans	-57.1	-46	174.1	-179.9	-174.1	175	-82	-2.6	111.4	V466 C539 L541 V545 A546 L547 I581	V466-R543 HydrophobicContact CG2-CB 3.94Å; V466-R543 HydrophobicContact CG2-CG 4.5Å; C539-R543 WeakPolarHBondContact O-CB 3.41Å; C539-R543 PolarHBondContact O-N 3Å; L541-R543 VanDerWaalsContact C-N 3.33Å; L541-R543 PolarHBondContact O-N 2.81Å; R543-V545 VanDerWaalsContact C-N 3.34Å; R543-V545 PolarHBondContact O-N 3.32Å; R543-A546 PolarHBondContact O-N 3.41Å; R543-L547 HydrophobicContact CG-CD1 4.09Å; R543-L547 HydrophobicContact CG-CG 4.45Å; R543-L547 VanDerWaalsContact NH1-CD1 3.27Å; R543-L547 WeakPolarHBondContact O-CB 3.04Å; R543-L547 WeakPolarHBondContact O-CG 3.25Å; R543-L547 PolarHBondContact O-N 3.4Å; R543-I581 HydrophobicContact CG-CG2 4.4Å
544	N	91.9	Very high	91.4	Very high	61 Å²	61	40.4 Å²	40.4	33%	0.326	18%	0.179	S	C	.	.	H	α-helix	trans	-65.3	-38	-179.5	-70.8	-18.6	0	0	0	112.2	F492 L540 L541 L542 Y548	F492-N544 HydrophobicContact CE1-CB 4.08Å; F492-N544 WeakPolarHBondContact CZ-O 3.49Å; L540-N544 WeakPolarHBondContact O-CB 3.12Å; L540-N544 PolarHBondContact O-N 3.46Å; L540-N544 PolarHBondContact O-ND2 2.88Å; L541-N544 PolarHBondContact O-N 3.25Å; L541-N544 VanDerWaalsContact O-N 3.14Å; L542-N544 VanDerWaalsContact C-N 3.33Å; L542-N544 PolarHBondContact O-N 3.13Å; N544-Y548 WeakPolarHBondContact O-CB 3.35Å; N544-Y548 PolarHBondContact O-N 2.86Å; N544-Y548 VanDerWaalsContact O-N 3.09Å
545	V	95	Very high	91.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-49.9	172.7	174.6	0	0	0	0	110.5	F458 F492 L519 L541 L542 R543 L547 Y548 I549	F458-V545 HydrophobicContact CE1-CG1 4.36Å; F458-V545 HydrophobicContact CZ-CB 4.47Å; F458-V545 HydrophobicContact CZ-CG1 3.9Å; F492-V545 HydrophobicContact CB-CG2 4.22Å; F492-V545 HydrophobicContact CD1-CG2 3.93Å; F492-V545 HydrophobicContact CD2-CG2 3.79Å; F492-V545 HydrophobicContact CE1-CG2 4.14Å; F492-V545 HydrophobicContact CE2-CB 4.35Å; F492-V545 HydrophobicContact CE2-CG2 3.99Å; F492-V545 HydrophobicContact CG-CG2 3.74Å; F492-V545 HydrophobicContact CZ-CG2 4.15Å; L519-V545 HydrophobicContact CD1-CG1 4.43Å; L519-V545 HydrophobicContact CD2-CG1 3.77Å; L519-V545 HydrophobicContact CG-CG1 3.95Å; L541-V545 WeakPolarHBondContact O-CG2 3.1Å; L541-V545 PolarHBondContact O-N 2.9Å; L542-V545 PolarHBondContact O-N 2.86Å; R543-V545 VanDerWaalsContact C-N 3.34Å; R543-V545 PolarHBondContact O-N 3.32Å; V545-L547 VanDerWaalsContact C-N 3.35Å; V545-L547 PolarHBondContact O-N 3.47Å; V545-Y548 WeakPolarHBondContact O-CB 3.27Å; V545-Y548 PolarHBondContact O-N 3.14Å; V545-Y548 VanDerWaalsContact O-N 3.14Å; V545-I549 HydrophobicContact CG1-CD1 3.88Å; V545-I549 HydrophobicContact CG1-CG1 4.45Å; V545-I549 WeakPolarHBondContact O-CG1 3.34Å; V545-I549 PolarHBondContact O-N 2.96Å
546	A	92.1	Very high	92.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-38.2	-178.9	0	0	0	0	0	112.8	F458 F459 V462 L542 R543 I549 T550 L585	F458-A546 HydrophobicContact CE1-CB 3.88Å; F458-A546 HydrophobicContact CZ-CB 4.28Å; F459-A546 HydrophobicContact CD1-CB 4.16Å; F459-A546 HydrophobicContact CE1-CB 4.35Å; V462-A546 HydrophobicContact CB-CB 4.29Å; V462-A546 HydrophobicContact CG1-CB 3.89Å; V462-A546 HydrophobicContact CG2-CB 4.41Å; L542-A546 WeakPolarHBondContact O-CB 3.09Å; L542-A546 PolarHBondContact O-N 3.31Å; R543-A546 PolarHBondContact O-N 3.41Å; A546-I549 PolarHBondContact O-N 2.93Å; A546-T550 WeakPolarHBondContact O-CB 3.23Å; A546-T550 PolarHBondContact O-N 2.91Å; A546-T550 PolarHBondContact O-OG1 3Å; A546-L585 HydrophobicContact CB-CD1 4.13Å; A546-L585 HydrophobicContact CB-CD2 3.52Å; A546-L585 HydrophobicContact CB-CG 4.4Å
547	L	90.6	Very high	92.5	Very high	46 Å²	46	19.8 Å²	19.8	24%	0.241	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-40.4	173.2	-75.8	173.1	0	0	0	112.3	R543 V545 T550 K551 A584 L585	R543-L547 HydrophobicContact CG-CD1 4.09Å; R543-L547 HydrophobicContact CG-CG 4.45Å; R543-L547 VanDerWaalsContact NH1-CD1 3.27Å; R543-L547 WeakPolarHBondContact O-CB 3.04Å; R543-L547 WeakPolarHBondContact O-CG 3.25Å; R543-L547 PolarHBondContact O-N 3.4Å; V545-L547 VanDerWaalsContact C-N 3.35Å; V545-L547 PolarHBondContact O-N 3.47Å; L547-T550 PolarHBondContact O-N 3.5Å; L547-K551 WeakPolarHBondContact O-CB 3.33Å; L547-K551 PolarHBondContact O-N 2.99Å; L547-A584 HydrophobicContact CD2-CB 4.06Å; L547-L585 HydrophobicContact CB-CD2 4.46Å; L547-L585 HydrophobicContact CD2-CD2 3.73Å; L547-L585 HydrophobicContact CG-CD2 3.79Å
548	Y	94	Very high	92.5	Very high	33 Å²	33	20 Å²	20	13%	0.129	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-46.3	176.7	173.3	-105	0	0	0	111.7	F492 K496 V499 N544 V545 K551 L552	F492-Y548 AromaticContact CE2-CD1 3.76Å; F492-Y548 HydrophobicContact CE2-CD1 3.76Å; F492-Y548 AromaticContact CE2-CG 3.85Å; F492-Y548 HydrophobicContact CE2-CG 3.85Å; F492-Y548 HydrophobicContact CZ-CG 4.25Å; K496-Y548 HydrophobicContact CD-CE2 4.47Å; K496-Y548 HydrophobicContact CG-CD1 4.41Å; K496-Y548 HydrophobicContact CG-CD2 4.27Å; K496-Y548 HydrophobicContact CG-CE1 4Å; K496-Y548 HydrophobicContact CG-CE2 3.86Å; V499-Y548 WeakPolarHBondContact CB-OH 3.2Å; V499-Y548 WeakPolarHBondContact CG1-OH 3.26Å; N544-Y548 WeakPolarHBondContact O-CB 3.35Å; N544-Y548 PolarHBondContact O-N 2.86Å; N544-Y548 VanDerWaalsContact O-N 3.09Å; V545-Y548 WeakPolarHBondContact O-CB 3.27Å; V545-Y548 PolarHBondContact O-N 3.14Å; V545-Y548 VanDerWaalsContact O-N 3.14Å; Y548-K551 WeakPolarHBondContact O-CB 3.24Å; Y548-K551 PolarHBondContact O-N 3.41Å; Y548-L552 HydrophobicContact CD1-CD1 4.18Å; Y548-L552 HydrophobicContact CE1-CD1 3.5Å; Y548-L552 HydrophobicContact CE1-CG 4.27Å; Y548-L552 HydrophobicContact CE2-CD1 4.34Å; Y548-L552 HydrophobicContact CE2-CG 4.31Å; Y548-L552 PolarHBondContact O-N 3.28Å
549	I	94.1	Very high	91.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.5	-44.1	176.9	-61.2	171.5	0	0	0	109.9	F458 F459 V516 L519 V520 V545 A546 K551 L552 M553	F458-I549 HydrophobicContact CD1-CD1 4.26Å; F458-I549 HydrophobicContact CE1-CD1 3.77Å; F458-I549 HydrophobicContact CZ-CD1 4.48Å; F459-I549 HydrophobicContact CE1-CB 4.18Å; F459-I549 HydrophobicContact CE1-CG2 4.17Å; F459-I549 HydrophobicContact CZ-CB 4.14Å; F459-I549 HydrophobicContact CZ-CG2 3.66Å; V516-I549 HydrophobicContact CG1-CD1 4.13Å; V516-I549 HydrophobicContact CG1-CG1 4.16Å; V516-I549 HydrophobicContact CG1-CG2 3.76Å; L519-I549 HydrophobicContact CD2-CD1 4.38Å; V520-I549 HydrophobicContact CG2-CD1 3.71Å; V545-I549 HydrophobicContact CG1-CD1 3.88Å; V545-I549 HydrophobicContact CG1-CG1 4.45Å; V545-I549 WeakPolarHBondContact O-CG1 3.34Å; V545-I549 PolarHBondContact O-N 2.96Å; A546-I549 PolarHBondContact O-N 2.93Å; I549-K551 VanDerWaalsContact C-N 3.3Å; I549-K551 PolarHBondContact O-N 2.9Å; I549-L552 WeakPolarHBondContact O-CB 3.42Å; I549-L552 PolarHBondContact O-N 3.36Å; I549-L552 VanDerWaalsContact O-N 3.12Å; I549-M553 HydrophobicContact CG2-CE 3.93Å; I549-M553 HydrophobicContact CG2-CG 4.25Å; I549-M553 VanDerWaalsContact O-CG 3.31Å; I549-M553 WeakPolarHBondContact O-CG 3.2Å; I549-M553 PolarHBondContact O-N 3.03Å
550	T	90.8	Very high	90.6	Very high	3 Å²	3	25 Å²	25	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-59.1	-41.9	176.5	-55.2	0	0	0	0	111.5	F459 A546 L547 L552 M553 R554 A584 G586	F459-T550 WeakPolarHBondContact CE1-OG1 3.45Å; A546-T550 WeakPolarHBondContact O-CB 3.23Å; A546-T550 PolarHBondContact O-N 2.91Å; A546-T550 PolarHBondContact O-OG1 3Å; L547-T550 PolarHBondContact O-N 3.5Å; T550-L552 PolarHBondContact O-N 3.2Å; T550-M553 PolarHBondContact O-N 3.35Å; T550-R554 WeakPolarHBondContact O-CG 3.34Å; T550-R554 PolarHBondContact O-N 2.92Å; T550-A584 WeakPolarHBondContact CG2-O 3.32Å; T550-G586 PolarHBondContact OG1-N 2.76Å; T550-G586 VanDerWaalsContact OG1-N 3.08Å
551	K	90.5	Very high	89	Confident	98 Å²	98	26.1 Å²	26.1	43%	0.426	12%	0.121	S	C	.	.	H	α-helix	trans	-59.1	-46.5	174.3	-177.8	179.9	178.8	179.1	0	111.5	L547 Y548 I549 R554 I555	L547-K551 WeakPolarHBondContact O-CB 3.33Å; L547-K551 PolarHBondContact O-N 2.99Å; Y548-K551 WeakPolarHBondContact O-CB 3.24Å; Y548-K551 PolarHBondContact O-N 3.41Å; I549-K551 VanDerWaalsContact C-N 3.3Å; I549-K551 PolarHBondContact O-N 2.9Å; K551-R554 PolarHBondContact O-N 3.28Å; K551-I555 HydrophobicContact CG-CD1 4.05Å; K551-I555 VanDerWaalsContact O-CG1 3.32Å; K551-I555 WeakPolarHBondContact O-CG1 3.23Å; K551-I555 PolarHBondContact O-N 3.27Å
552	L	93.6	Very high	86.8	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-44.7	176.6	-70.9	177.1	0	0	0	112.1	Y77 V499 V516 Y548 I549 T550 R554 I555 F556	Y77-L552 HydrophobicContact CD2-CD2 4.41Å; Y77-L552 HydrophobicContact CE2-CD2 4.21Å; V499-L552 HydrophobicContact CG1-CD1 4.03Å; V499-L552 HydrophobicContact CG1-CD2 4.07Å; V499-L552 HydrophobicContact CG2-CD1 4.4Å; V516-L552 HydrophobicContact CG2-CD1 3.96Å; Y548-L552 HydrophobicContact CD1-CD1 4.18Å; Y548-L552 HydrophobicContact CE1-CD1 3.5Å; Y548-L552 HydrophobicContact CE1-CG 4.27Å; Y548-L552 HydrophobicContact CE2-CD1 4.34Å; Y548-L552 HydrophobicContact CE2-CG 4.31Å; Y548-L552 PolarHBondContact O-N 3.28Å; I549-L552 WeakPolarHBondContact O-CB 3.42Å; I549-L552 PolarHBondContact O-N 3.36Å; I549-L552 VanDerWaalsContact O-N 3.12Å; T550-L552 PolarHBondContact O-N 3.2Å; L552-R554 VanDerWaalsContact C-N 3.29Å; L552-R554 PolarHBondContact O-N 2.62Å; L552-I555 PolarHBondContact O-N 2.66Å; L552-F556 HydrophobicContact CB-CE2 4.32Å; L552-F556 WeakPolarHBondContact O-CD2 3.41Å; L552-F556 WeakPolarHBondContact O-CG 3.29Å; L552-F556 PolarHBondContact O-N 2.85Å
553	M	93.2	Very high	84.3	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-37.5	178.6	-65.1	-57.7	148	0	0	112.1	F451 L513 V516 I549 T550 F556 G557 V558 F587	F451-M553 HydrophobicContact CE1-CE 3.98Å; F451-M553 HydrophobicContact CZ-CE 4.06Å; L513-M553 HydrophobicContact CD2-CE 3.82Å; V516-M553 HydrophobicContact CG1-CE 4.09Å; I549-M553 HydrophobicContact CG2-CE 3.93Å; I549-M553 HydrophobicContact CG2-CG 4.25Å; I549-M553 VanDerWaalsContact O-CG 3.31Å; I549-M553 WeakPolarHBondContact O-CG 3.2Å; I549-M553 PolarHBondContact O-N 3.03Å; T550-M553 PolarHBondContact O-N 3.35Å; M553-F556 PolarHBondContact O-N 3.13Å; M553-G557 PolarHBondContact O-N 3.24Å; M553-G557 VanDerWaalsContact O-N 3.12Å; M553-V558 HydrophobicContact CB-CB 4.14Å; M553-V558 WeakPolarHBondContact O-CB 3.01Å; M553-V558 PolarHBondContact O-N 2.77Å; M553-V558 HydrophobicContact SD-CB 4.34Å; M553-V558 HydrophobicContact SD-CG1 4.34Å; M553-V558 HydrophobicContact SD-CG2 4.11Å; M553-F587 HydrophobicContact CB-CE1 4.09Å; M553-F587 HydrophobicContact CG-CE1 3.79Å; M553-F587 HydrophobicContact CG-CZ 4.41Å; M553-F587 HydrophobicContact SD-CE1 4.18Å
554	R	91.1	Very high	81.6	Confident	43 Å²	43	38.7 Å²	38.7	16%	0.162	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-46.1	172.7	-75.5	173.2	-176.1	-167.9	2.7	112.4	T550 K551 L552 F556 G557 T559 M561	T550-R554 WeakPolarHBondContact O-CG 3.34Å; T550-R554 PolarHBondContact O-N 2.92Å; K551-R554 PolarHBondContact O-N 3.28Å; L552-R554 VanDerWaalsContact C-N 3.29Å; L552-R554 PolarHBondContact O-N 2.62Å; R554-F556 VanDerWaalsContact C-N 3.29Å; R554-F556 PolarHBondContact O-N 3.13Å; R554-G557 WeakPolarHBondContact O-CA 3.26Å; R554-G557 PolarHBondContact O-N 3.23Å; R554-T559 WeakPolarHBondContact CA-OG1 3.22Å; R554-T559 WeakPolarHBondContact CG-OG1 3.44Å; R554-M561 HydrophobicContact CB-CE 4.1Å
555	I	93.6	Very high	78.6	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-42.2	175.9	-70.1	170.1	0	0	0	110.2	R72 V73 D76 Y77 K551 L552 G557	R72-I555 WeakPolarHBondContact CB-O 3.22Å; R72-I555 VanDerWaalsContact CD-O 3.24Å; R72-I555 WeakPolarHBondContact CD-O 3.21Å; V73-I555 HydrophobicContact CG2-CG2 4.2Å; D76-I555 HydrophobicContact CB-CG1 3.98Å; D76-I555 HydrophobicContact CB-CG2 4.39Å; Y77-I555 HydrophobicContact CD2-CD1 4.06Å; K551-I555 HydrophobicContact CG-CD1 4.05Å; K551-I555 VanDerWaalsContact O-CG1 3.32Å; K551-I555 WeakPolarHBondContact O-CG1 3.23Å; K551-I555 PolarHBondContact O-N 3.27Å; L552-I555 PolarHBondContact O-N 2.66Å; I555-G557 PolarHBondContact O-N 3.27Å
556	F	95.3	Very high	75.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-4.6	175.8	-60.7	-30.6	0	0	0	113.6	I69 V73 R426 L430 L503 T509 A512 L513 L552 M553 R554 V558	I69-F556 HydrophobicContact CG2-CD1 4.45Å; V73-F556 HydrophobicContact CG2-CD1 3.9Å; V73-F556 HydrophobicContact CG2-CE1 3.72Å; R426-F556 WeakPolarHBondContact CD-O 3.35Å; R426-F556 PolarHBondContact NH1-O 2.72Å; L430-F556 HydrophobicContact CD1-CB 3.77Å; L430-F556 HydrophobicContact CD1-CD2 4.35Å; L430-F556 HydrophobicContact CD1-CG 4.31Å; L430-F556 HydrophobicContact CD2-CB 3.85Å; L430-F556 HydrophobicContact CD2-CD1 4.14Å; L430-F556 HydrophobicContact CD2-CD2 4.18Å; L430-F556 HydrophobicContact CD2-CG 3.81Å; L430-F556 HydrophobicContact CG-CB 4.48Å; L503-F556 HydrophobicContact CD1-CZ 4.45Å; L503-F556 HydrophobicContact CD2-CE1 4Å; L503-F556 HydrophobicContact CD2-CZ 4.05Å; T509-F556 HydrophobicContact CG2-CD1 4.47Å; T509-F556 HydrophobicContact CG2-CE1 4.09Å; T509-F556 HydrophobicContact CG2-CZ 4.4Å; A512-F556 HydrophobicContact CB-CZ 4.37Å; L513-F556 HydrophobicContact CD2-CD2 4.3Å; L513-F556 HydrophobicContact CD2-CE2 4.13Å; L552-F556 HydrophobicContact CB-CE2 4.32Å; L552-F556 WeakPolarHBondContact O-CD2 3.41Å; L552-F556 WeakPolarHBondContact O-CG 3.29Å; L552-F556 PolarHBondContact O-N 2.85Å; M553-F556 PolarHBondContact O-N 3.13Å; R554-F556 VanDerWaalsContact C-N 3.29Å; R554-F556 PolarHBondContact O-N 3.13Å; F556-V558 VanDerWaalsContact C-N 3.29Å; F556-V558 HydrophobicContact CB-CG2 4.09Å; F556-V558 PolarHBondContact O-N 3.16Å
557	G	93	Very high	73.3	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.01	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	22.8	-178.1	0	0	0	0	0	114.4	N223 R426 M553 R554 I555 T559	N223-G557 PolarHBondContact ND2-O 3.27Å; R426-G557 WeakPolarHBondContact CD-O 3.24Å; R426-G557 PolarHBondContact NE-O 2.93Å; R426-G557 VanDerWaalsContact NH1-CA 3.34Å; M553-G557 PolarHBondContact O-N 3.24Å; M553-G557 VanDerWaalsContact O-N 3.12Å; R554-G557 WeakPolarHBondContact O-CA 3.26Å; R554-G557 PolarHBondContact O-N 3.23Å; I555-G557 PolarHBondContact O-N 3.27Å; G557-T559 PolarHBondContact O-N 2.69Å
558	V	91.9	Very high	70.8	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.042	29%	0.287	C	S	.	.	S	Bend	trans	-67	-27.9	173.5	179.1	0	0	0	0	110.6	R423 R426 L427 L430 M553 F556 F587	R423-V558 VanDerWaalsContact CD-O 3.27Å; R423-V558 WeakPolarHBondContact CD-O 3.34Å; R423-V558 HydrophobicContact CG-CG1 3.52Å; R423-V558 VanDerWaalsContact CG-O 3.29Å; R423-V558 WeakPolarHBondContact CG-O 3.1Å; R426-V558 HydrophobicContact CG-CG2 4.48Å; L427-V558 HydrophobicContact CD1-CG1 4.34Å; L427-V558 HydrophobicContact CD2-CG1 3.97Å; L427-V558 HydrophobicContact CD2-CG2 3.84Å; L427-V558 HydrophobicContact CG-CG1 4.07Å; L427-V558 HydrophobicContact CG-CG2 4.38Å; L430-V558 HydrophobicContact CD1-CG2 3.51Å; M553-V558 HydrophobicContact CB-CB 4.14Å; M553-V558 WeakPolarHBondContact O-CB 3.01Å; M553-V558 PolarHBondContact O-N 2.77Å; M553-V558 HydrophobicContact SD-CB 4.34Å; M553-V558 HydrophobicContact SD-CG1 4.34Å; M553-V558 HydrophobicContact SD-CG2 4.11Å; F556-V558 VanDerWaalsContact C-N 3.29Å; F556-V558 HydrophobicContact CB-CG2 4.09Å; F556-V558 PolarHBondContact O-N 3.16Å; V558-F587 HydrophobicContact CG1-CD1 3.92Å; V558-F587 HydrophobicContact CG1-CE1 3.51Å; V558-F587 HydrophobicContact CG1-CZ 4.39Å
559	T	78	Confident	67.9	Low	7 Å²	7	64.4 Å²	64.4	4%	0.043	32%	0.32	C	S	.	.	S	Bend	trans	-118.8	148.2	172	56	0	0	0	0	109.8	R554 G557 F587	R554-T559 WeakPolarHBondContact CA-OG1 3.22Å; R554-T559 WeakPolarHBondContact CG-OG1 3.44Å; G557-T559 PolarHBondContact O-N 2.69Å; T559-F587 HydrophobicContact CG2-CB 4.15Å; T559-F587 HydrophobicContact CG2-CD1 3.55Å; T559-F587 HydrophobicContact CG2-CE1 4.49Å; T559-F587 HydrophobicContact CG2-CG 4.33Å
560	E	66.9	Low	64.9	Low	117 Å²	117	72.6 Å²	72.6	55%	0.547	35%	0.351	S	S	.	.			trans	-62.4	138.8	173.5	-65.9	-176.1	176.8	0	0	110.9
561	M	55.3	Low	62.3	Low	72 Å²	72	77.3 Å²	77.3	36%	0.355	37%	0.371	S	S	.	.			trans	-87.4	123.5	164.5	-73.6	-156.1	-175.5	0	0	107.1	R554 E563	R554-M561 HydrophobicContact CB-CE 4.1Å; M561-E563 PolarHBondContact O-N 2.59Å
562	V	47.8	Very low	59.8	Low	82 Å²	82	77.9 Å²	77.9	50%	0.497	37%	0.374	S	S	.	.			trans	-67.7	104.8	171.4	177.2	0	0	0	0	107.9	E564 A590	V562-E564 HydrophobicContact CG1-CB 4.38Å; V562-E564 HydrophobicContact CG1-CG 3.87Å; V562-E564 PolarHBondContact O-N 2.9Å; V562-A590 HydrophobicContact CG2-CB 3.86Å
563	E	41.8	Very low	56.8	Low	133 Å²	133	83.8 Å²	83.8	62%	0.621	41%	0.405	S	S	*	.			trans	-73.8	68.8	170.4	-68	-164.1	148	0	0	110.1	M561 I565 R568	M561-E563 PolarHBondContact O-N 2.59Å; E563-I565 PolarHBondContact O-N 2.73Å; E563-R568 IonicContact OE1-NH2 2.67Å
564	E	32.2	Very low	53.9	Low	104 Å²	104	86 Å²	86	49%	0.486	42%	0.42	S	S	.	.			trans	-77.5	106.4	162.1	-89	-179.2	-173.9	0	0	108.6	V562 G566 K567	V562-E564 HydrophobicContact CG1-CB 4.38Å; V562-E564 HydrophobicContact CG1-CG 3.87Å; V562-E564 PolarHBondContact O-N 2.9Å; E564-G566 PolarHBondContact O-N 2.99Å; E564-G566 VanDerWaalsContact O-N 3.1Å; E564-K567 HydrophobicContact CB-CD 4.49Å; E564-K567 PolarHBondContact O-N 3.07Å; E564-K567 VanDerWaalsContact O-N 3.1Å; E564-K567 VanDerWaalsContact OE2-CD 3.24Å; E564-K567 WeakPolarHBondContact OE2-CD 3.4Å; E564-K567 WeakPolarHBondContact OE2-CE 3.24Å; E564-K567 IonicContact OE2-NZ 3.82Å; E564-K567 PolarHBondContact OE2-NZ 2.9Å
565	I	30.9	Very low	51.1	Low	179 Å²	179	88.6 Å²	88.6	92%	0.918	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	115.8	171.3	-60.9	171.9	0	0	0	108.6	E563	E563-I565 PolarHBondContact O-N 2.73Å
566	G	35.2	Very low	48.3	Very low	70 Å²	70	92.7 Å²	92.7	72%	0.722	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.5	-1.7	177.5	0	0	0	0	0	117.1	E564	E564-G566 PolarHBondContact O-N 2.99Å; E564-G566 VanDerWaalsContact O-N 3.1Å
567	K	39.4	Very low	45.4	Very low	96 Å²	96	97 Å²	97	42%	0.417	50%	0.498	S	S	.	.			trans	-112.4	2.6	176.7	-67.5	-170.5	-168.4	163.6	0	115.8	E564 E569 R570 F571	E564-K567 HydrophobicContact CB-CD 4.49Å; E564-K567 PolarHBondContact O-N 3.07Å; E564-K567 VanDerWaalsContact O-N 3.1Å; E564-K567 VanDerWaalsContact OE2-CD 3.24Å; E564-K567 WeakPolarHBondContact OE2-CD 3.4Å; E564-K567 WeakPolarHBondContact OE2-CE 3.24Å; E564-K567 IonicContact OE2-NZ 3.82Å; E564-K567 PolarHBondContact OE2-NZ 2.9Å; K567-E569 PolarHBondContact O-N 3.1Å; K567-E569 VanDerWaalsContact O-N 3.11Å; K567-R570 PolarHBondContact O-N 3.03Å; K567-F571 PolarHBondContact O-N 3.42Å
568	R	38	Very low	42.8	Very low	160 Å²	160	101.1 Å²	101.1	60%	0.604	52%	0.524	S	S	*	.	H	α-helix	trans	-53.2	-35.4	-177.4	-124.5	-178.1	-170.6	165.3	11.6	113.3	E563	E563-R568 IonicContact OE1-NH2 2.67Å
569	E	33.1	Very low	40.4	Very low	175 Å²	175	104.9 Å²	104.9	82%	0.818	54%	0.544	S	S	*	.	H	α-helix	trans	-81.1	-27	178	-68.3	-175	159.7	0	0	114.3	K567	K567-E569 PolarHBondContact O-N 3.1Å; K567-E569 VanDerWaalsContact O-N 3.11Å
570	R	31.8	Very low	39	Very low	171 Å²	171	107.4 Å²	107.4	65%	0.645	56%	0.557	S	S	*	*	H	α-helix	trans	-78.2	-29.1	-177.3	-68.4	-172.4	-152.4	-179	7.3	112.8	K567 N573 C574	K567-R570 PolarHBondContact O-N 3.03Å; R570-N573 CarbonylContact O-C 3.38Å; R570-N573 WeakPolarHBondContact O-CA 3.43Å; R570-N573 PolarHBondContact O-N 3.26Å; R570-N573 VanDerWaalsContact O-N 3.1Å; R570-C574 PolarHBondContact O-N 3.38Å
571	F	36.6	Very low	38.3	Very low	102 Å²	102	102.6 Å²	102.6	45%	0.447	54%	0.535	S	S	.	.	H	α-helix	trans	-76.2	-26.2	-172.8	-131.5	-77.5	0	0	0	113.9	K567 N573 C574	K567-F571 PolarHBondContact O-N 3.42Å; F571-N573 PolarHBondContact O-N 2.96Å; F571-C574 HydrophobicContact CD1-CB 4.06Å; F571-C574 HydrophobicContact CE1-CB 4.09Å; F571-C574 WeakPolarHBondContact O-CB 3.19Å; F571-C574 PolarHBondContact O-N 3.22Å
572	F	36.2	Very low	37.8	Very low	111 Å²	111	99.9 Å²	99.9	49%	0.487	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.8	169.4	-86.9	-87.7	0	0	0	112.4	D76	D76-F572 HydrophobicContact CB-CZ 4.29Å; D76-F572 WeakPolarHBondContact O-CE1 3.25Å; D76-F572 WeakPolarHBondContact O-CZ 3.31Å
573	N	30.8	Very low	37.9	Very low	125 Å²	125	98.4 Å²	98.4	67%	0.668	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	37.3	172.9	-77.1	-25.1	0	0	0	112.2	R570 F571 T575	R570-N573 CarbonylContact O-C 3.38Å; R570-N573 WeakPolarHBondContact O-CA 3.43Å; R570-N573 PolarHBondContact O-N 3.26Å; R570-N573 VanDerWaalsContact O-N 3.1Å; F571-N573 PolarHBondContact O-N 2.96Å; N573-T575 PolarHBondContact O-N 3.46Å; N573-T575 PolarHBondContact O-OG1 2.94Å
574	C	33.2	Very low	38.6	Very low	48 Å²	48	93 Å²	93	32%	0.324	49%	0.49	S	S	.	.			trans	-64.6	79.3	-179.4	-162.7	0	0	0	0	111.7	R570 F571 D576	R570-C574 PolarHBondContact O-N 3.38Å; F571-C574 HydrophobicContact CD1-CB 4.06Å; F571-C574 HydrophobicContact CE1-CB 4.09Å; F571-C574 WeakPolarHBondContact O-CB 3.19Å; F571-C574 PolarHBondContact O-N 3.22Å; C574-D576 VanDerWaalsContact C-N 3.29Å
575	T	32.4	Very low	40.1	Very low	97 Å²	97	88.2 Å²	88.2	60%	0.595	47%	0.468	S	S	*	.			trans	-100.6	21.8	157.2	52.6	0	0	0	0	109.1	R472 N573 A577	R472-T575 PolarHBondContact NH1-O 3.38Å; N573-T575 PolarHBondContact O-N 3.46Å; N573-T575 PolarHBondContact O-OG1 2.94Å; T575-A577 PolarHBondContact O-N 2.88Å
576	D	34	Very low	41.5	Very low	89 Å²	89	79.9 Å²	79.9	48%	0.476	43%	0.426	S	S	.	.			trans	-48.4	118.9	-179.4	-86.4	-9.2	0	0	0	108.8	C574 T578	C574-D576 VanDerWaalsContact C-N 3.29Å; D576-T578 PolarHBondContact O-N 3.28Å
577	A	35.9	Very low	42.7	Very low	90 Å²	90	77.4 Å²	77.4	74%	0.744	40%	0.396	S	S	*	.	S	Bend	trans	-75.3	37.6	-161	0	0	0	0	0	113.3	T575	T575-A577 PolarHBondContact O-N 2.88Å
578	T	37.1	Very low	43.4	Very low	89 Å²	89	77 Å²	77	55%	0.546	40%	0.398	S	S	.	.			trans	-118.1	135	176.5	61.4	0	0	0	0	109.7	D576 N580	D576-T578 PolarHBondContact O-N 3.28Å; T578-N580 PolarHBondContact O-N 3.49Å
579	N	42.4	Very low	43.9	Very low	85 Å²	85	71.5 Å²	71.5	46%	0.455	38%	0.38	S	S	.	.	S	Bend	trans	-64.4	11.7	175.1	-81.1	-15.3	0	0	0	113.4	D471 I581	D471-N579 PolarHBondContact OD1-ND2 3.02Å; N579-I581 VanDerWaalsContact C-N 3.3Å; N579-I581 PolarHBondContact O-N 3.36Å
580	N	48.1	Very low	44.4	Very low	61 Å²	61	66.1 Å²	66.1	33%	0.326	37%	0.366	S	S	.	.			trans	-84	69.1	178.9	-77.4	-30.5	0	0	0	111.9	T578 S582 Q599	T578-N580 PolarHBondContact O-N 3.49Å; N580-S582 VanDerWaalsContact C-N 3.29Å; N580-Q599 PolarHBondContact ND2-NE2 3.27Å; N580-Q599 PolarHBondContact OD1-NE2 3.12Å
581	I	52	Low	44.7	Very low	15 Å²	15	61.2 Å²	61.2	8%	0.077	37%	0.369	C	S	.	.			trans	-75.1	-22.6	-179.2	-62.5	163.1	0	0	0	111.5	V466 F470 R543 N579 N583 A584 L585	V466-I581 HydrophobicContact CG1-CB 3.85Å; V466-I581 HydrophobicContact CG1-CD1 3.19Å; V466-I581 HydrophobicContact CG1-CG1 4.08Å; V466-I581 HydrophobicContact CG1-CG2 3.73Å; F470-I581 HydrophobicContact CD1-CD1 3.66Å; F470-I581 HydrophobicContact CE1-CD1 3.89Å; R543-I581 HydrophobicContact CG-CG2 4.4Å; N579-I581 VanDerWaalsContact C-N 3.3Å; N579-I581 PolarHBondContact O-N 3.36Å; I581-N583 PolarHBondContact O-N 3.48Å; I581-A584 PolarHBondContact O-N 2.95Å; I581-L585 HydrophobicContact CG2-CD1 3.5Å; I581-L585 VanDerWaalsContact CG2-CD1 3.5Å; I581-L585 HydrophobicContact CG2-CG 3.76Å; I581-L585 PolarHBondContact O-N 3.4Å
582	S	46.1	Very low	45	Very low	15 Å²	15	64.4 Å²	64.4	11%	0.105	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.6	178.5	64.7	0	0	0	0	113.5	N580 A584 E598	N580-S582 VanDerWaalsContact C-N 3.29Å; S582-A584 VanDerWaalsContact C-N 3.29Å; S582-A584 PolarHBondContact O-N 2.94Å; S582-E598 WeakPolarHBondContact CB-OE1 3.48Å; S582-E598 WeakPolarHBondContact CB-OE2 3.18Å; S582-E598 VanDerWaalsContact OG-CD 3.26Å; S582-E598 PolarHBondContact OG-OE1 2.98Å; S582-E598 PolarHBondContact OG-OE2 2.83Å
583	N	48	Very low	45.2	Very low	51 Å²	51	61.3 Å²	61.3	27%	0.273	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-19.2	174.3	-64.9	-11	0	0	0	113.4	I581 A595	I581-N583 PolarHBondContact O-N 3.48Å; N583-A595 VanDerWaalsContact ND2-CB 3.33Å; N583-A595 WeakPolarHBondContact ND2-CB 3.48Å; N583-A595 VanDerWaalsContact OD1-CB 3.26Å; N583-A595 WeakPolarHBondContact OD1-CB 3.46Å
584	A	56.7	Low	46.1	Very low	19 Å²	19	57 Å²	57	16%	0.157	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-15	-172.8	0	0	0	0	0	113.1	L547 T550 I581 S582	L547-A584 HydrophobicContact CD2-CB 4.06Å; T550-A584 WeakPolarHBondContact CG2-O 3.32Å; I581-A584 PolarHBondContact O-N 2.95Å; S582-A584 VanDerWaalsContact C-N 3.29Å; S582-A584 PolarHBondContact O-N 2.94Å
585	L	64.7	Low	46.9	Very low	5 Å²	5	56 Å²	56	3%	0.026	36%	0.356	C	S	.	.	S	Bend	trans	-109.8	128.7	-174.5	-66.5	-175.7	0	0	0	112.1	V462 A546 L547 I581	V462-L585 HydrophobicContact CG1-CD1 3.98Å; A546-L585 HydrophobicContact CB-CD1 4.13Å; A546-L585 HydrophobicContact CB-CD2 3.52Å; A546-L585 HydrophobicContact CB-CG 4.4Å; L547-L585 HydrophobicContact CB-CD2 4.46Å; L547-L585 HydrophobicContact CD2-CD2 3.73Å; L547-L585 HydrophobicContact CG-CD2 3.79Å; I581-L585 HydrophobicContact CG2-CD1 3.5Å; I581-L585 VanDerWaalsContact CG2-CD1 3.5Å; I581-L585 HydrophobicContact CG2-CG 3.76Å; I581-L585 PolarHBondContact O-N 3.4Å
586	G	59.7	Low	48.1	Very low	4 Å²	4	54.7 Å²	54.7	4%	0.041	35%	0.351	C	S	.	.	S	Bend	trans	89.4	-155.8	168.7	0	0	0	0	0	115.7	T550	T550-G586 PolarHBondContact OG1-N 2.76Å; T550-G586 VanDerWaalsContact OG1-N 3.08Å
587	F	59.6	Low	49.8	Very low	17 Å²	17	57.6 Å²	57.6	8%	0.075	36%	0.359	C	S	.	.	S	Bend	trans	-92.7	10.6	-170.5	-56	-62.6	0	0	0	114.6	E452 C455 S456 F459 M553 V558 T559 D589	E452-F587 HydrophobicContact CG-CE2 4.41Å; C455-F587 HydrophobicContact CB-CE2 3.45Å; C455-F587 VanDerWaalsContact CB-CE2 3.45Å; C455-F587 HydrophobicContact CB-CZ 3.45Å; C455-F587 VanDerWaalsContact CB-CZ 3.45Å; S456-F587 VanDerWaalsContact OG-CD2 3.31Å; S456-F587 WeakPolarHBondContact OG-CD2 3.28Å; F459-F587 HydrophobicContact CD2-CD2 4.28Å; F459-F587 HydrophobicContact CD2-CE2 4.21Å; F459-F587 HydrophobicContact CE2-CD2 4.26Å; F459-F587 HydrophobicContact CE2-CE1 4.28Å; F459-F587 AromaticContact CE2-CE2 3.93Å; F459-F587 HydrophobicContact CE2-CE2 3.93Å; F459-F587 AromaticContact CE2-CZ 3.94Å; F459-F587 HydrophobicContact CE2-CZ 3.94Å; M553-F587 HydrophobicContact CB-CE1 4.09Å; M553-F587 HydrophobicContact CG-CE1 3.79Å; M553-F587 HydrophobicContact CG-CZ 4.41Å; M553-F587 HydrophobicContact SD-CE1 4.18Å; V558-F587 HydrophobicContact CG1-CD1 3.92Å; V558-F587 HydrophobicContact CG1-CE1 3.51Å; V558-F587 HydrophobicContact CG1-CZ 4.39Å; T559-F587 HydrophobicContact CG2-CB 4.15Å; T559-F587 HydrophobicContact CG2-CD1 3.55Å; T559-F587 HydrophobicContact CG2-CE1 4.49Å; T559-F587 HydrophobicContact CG2-CG 4.33Å; F587-D589 PolarHBondContact O-N 2.91Å
588	L	55.1	Low	51.5	Low	89 Å²	89	54.3 Å²	54.3	47%	0.466	33%	0.329	S	S	.	.			trans	-74.7	124.3	-178	-69.9	165.3	0	0	0	110.4	A590	L588-A590 PolarHBondContact O-N 3.3Å
589	D	48	Very low	53	Low	43 Å²	43	54.6 Å²	54.6	23%	0.23	32%	0.324	C	S	.	.			trans	-65.7	116.1	172	-68.2	-33.2	0	0	0	109.1	F587 G591 K592	F587-D589 PolarHBondContact O-N 2.91Å; D589-G591 PolarHBondContact O-N 3.15Å; D589-K592 PolarHBondContact O-N 3.04Å
590	A	43.4	Very low	54.9	Low	63 Å²	63	55.8 Å²	55.8	52%	0.521	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-10.3	177.9	0	0	0	0	0	113.3	V562 L588	V562-A590 HydrophobicContact CG2-CB 3.86Å; L588-A590 PolarHBondContact O-N 3.3Å
591	G	38.4	Very low	56.6	Low	68 Å²	68	55.8 Å²	55.8	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-17.2	-178.8	0	0	0	0	0	116.8	D589 G593	D589-G591 PolarHBondContact O-N 3.15Å; G591-G593 VanDerWaalsContact C-N 3.32Å; G591-G593 PolarHBondContact O-N 3.47Å
592	K	43.1	Very low	58.2	Low	169 Å²	169	55.4 Å²	55.4	74%	0.735	33%	0.329	S	S	*	.	S	Bend	trans	-89.5	28.9	-172.4	-79	-172.9	-180	170.8	0	115.5	D589 S594	D589-K592 PolarHBondContact O-N 3.04Å; K592-S594 PolarHBondContact O-N 3.07Å
593	G	41.5	Very low	60	Low	46 Å²	46	58.1 Å²	58.1	47%	0.474	35%	0.347	S	S	.	.	S	Bend	trans	57	12.8	174	0	0	0	0	0	115.6	G591 A595 S596	G591-G593 VanDerWaalsContact C-N 3.32Å; G591-G593 PolarHBondContact O-N 3.47Å; G593-A595 PolarHBondContact O-N 2.91Å; G593-S596 PolarHBondContact O-N 3.3Å
594	S	48.6	Very low	62	Low	35 Å²	35	64.1 Å²	64.1	25%	0.245	37%	0.367	C	S	.	.	H	α-helix	trans	-66.8	-28.6	-175.4	66.8	0	0	0	0	111.9	K592 S596 K597 E598	K592-S594 PolarHBondContact O-N 3.07Å; S594-S596 PolarHBondContact O-N 3.02Å; S594-K597 PolarHBondContact O-N 3.32Å; S594-E598 PolarHBondContact O-N 2.95Å
595	A	50.1	Low	63.6	Low	26 Å²	26	64 Å²	64	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-50.6	-41	177.1	0	0	0	0	0	113.1	N583 G593 Q599	N583-A595 VanDerWaalsContact ND2-CB 3.33Å; N583-A595 WeakPolarHBondContact ND2-CB 3.48Å; N583-A595 VanDerWaalsContact OD1-CB 3.26Å; N583-A595 WeakPolarHBondContact OD1-CB 3.46Å; G593-A595 PolarHBondContact O-N 2.91Å; A595-Q599 VanDerWaalsContact O-CD 3.3Å; A595-Q599 VanDerWaalsContact O-CG 3.3Å; A595-Q599 WeakPolarHBondContact O-CG 3.15Å; A595-Q599 PolarHBondContact O-N 3.46Å
596	S	56.9	Low	64.6	Low	69 Å²	69	66.5 Å²	66.5	48%	0.483	38%	0.377	S	S	.	.	H	α-helix	trans	-72.9	-41.4	178.1	176.5	0	0	0	0	111.2	G593 S594 L600	G593-S596 PolarHBondContact O-N 3.3Å; S594-S596 PolarHBondContact O-N 3.02Å; S596-L600 WeakPolarHBondContact O-CB 3.27Å; S596-L600 VanDerWaalsContact O-CD1 3.24Å; S596-L600 WeakPolarHBondContact O-CD1 3.19Å; S596-L600 WeakPolarHBondContact O-CG 3.44Å; S596-L600 PolarHBondContact O-N 3.47Å; S596-L600 VanDerWaalsContact O-N 3.11Å
597	K	69.8	Low	66	Low	151 Å²	151	71 Å²	71	66%	0.657	40%	0.403	S	S	*	.	H	α-helix	trans	-66.5	-44.5	-178.2	-65.3	-176.2	179.8	179.2	0	112.2	S594 L600 V601	S594-K597 PolarHBondContact O-N 3.32Å; K597-L600 PolarHBondContact O-N 3.41Å; K597-V601 WeakPolarHBondContact O-CB 3.32Å; K597-V601 WeakPolarHBondContact O-CG2 3.44Å; K597-V601 PolarHBondContact O-N 3.02Å
598	E	71.6	Confident	67.5	Low	20 Å²	20	73 Å²	73	9%	0.093	41%	0.414	C	S	.	.	H	α-helix	trans	-63.3	-49.5	179.6	172.4	172.5	-171.2	0	0	111.7	R467 S582 S594 L600 V601 M602 L657	R467-E598 IonicContact CZ-OE1 3.3Å; R467-E598 IonicContact NE-OE1 3.1Å; R467-E598 PolarHBondContact NE-OE1 3.1Å; R467-E598 IonicContact NH2-OE1 3.89Å; R467-E598 PolarHBondContact NH2-OE1 2.73Å; S582-E598 WeakPolarHBondContact CB-OE1 3.48Å; S582-E598 WeakPolarHBondContact CB-OE2 3.18Å; S582-E598 VanDerWaalsContact OG-CD 3.26Å; S582-E598 PolarHBondContact OG-OE1 2.98Å; S582-E598 PolarHBondContact OG-OE2 2.83Å; S594-E598 PolarHBondContact O-N 2.95Å; E598-L600 PolarHBondContact O-N 2.89Å; E598-V601 PolarHBondContact O-N 3.43Å; E598-M602 HydrophobicContact CG-CG 3.68Å; E598-M602 VanDerWaalsContact O-CB 3.26Å; E598-M602 WeakPolarHBondContact O-CB 3.45Å; E598-M602 WeakPolarHBondContact O-CG 3Å; E598-M602 PolarHBondContact O-N 3.02Å; E598-L657 HydrophobicContact CB-CD1 3.93Å; E598-L657 HydrophobicContact CG-CD1 3.63Å
599	Q	70	Confident	69.1	Low	95 Å²	95	69.2 Å²	69.2	44%	0.444	40%	0.395	S	S	.	.	H	α-helix	trans	-58.9	-37.5	177.7	-72.4	167.1	12.1	0	0	112.4	N580 A595 P603	N580-Q599 PolarHBondContact ND2-NE2 3.27Å; N580-Q599 PolarHBondContact OD1-NE2 3.12Å; A595-Q599 VanDerWaalsContact O-CD 3.3Å; A595-Q599 VanDerWaalsContact O-CG 3.3Å; A595-Q599 WeakPolarHBondContact O-CG 3.15Å; A595-Q599 PolarHBondContact O-N 3.46Å; Q599-P603 WeakPolarHBondContact O-CD 3.29Å
600	L	80.9	Confident	71	Confident	111 Å²	111	72 Å²	72	58%	0.581	41%	0.407	S	S	*	.	H	α-helix	trans	-69.8	-40.8	178	-74	166.9	0	0	0	112.2	S596 K597 E598 Y604	S596-L600 WeakPolarHBondContact O-CB 3.27Å; S596-L600 VanDerWaalsContact O-CD1 3.24Å; S596-L600 WeakPolarHBondContact O-CD1 3.19Å; S596-L600 WeakPolarHBondContact O-CG 3.44Å; S596-L600 PolarHBondContact O-N 3.47Å; S596-L600 VanDerWaalsContact O-N 3.11Å; K597-L600 PolarHBondContact O-N 3.41Å; E598-L600 PolarHBondContact O-N 2.89Å; L600-Y604 WeakPolarHBondContact O-CD2 3.29Å; L600-Y604 WeakPolarHBondContact O-CE2 3.38Å
601	V	85.1	Confident	73.3	Confident	60 Å²	60	75.4 Å²	75.4	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-89.7	-33.3	-170.2	175	0	0	0	0	112.6	K597 E598 P603 Y604 L605	K597-V601 WeakPolarHBondContact O-CB 3.32Å; K597-V601 WeakPolarHBondContact O-CG2 3.44Å; K597-V601 PolarHBondContact O-N 3.02Å; E598-V601 PolarHBondContact O-N 3.43Å; V601-P603 VanDerWaalsContact C-CD 3.48Å; V601-Y604 PolarHBondContact O-N 2.88Å; V601-Y604 VanDerWaalsContact O-N 3.12Å; V601-L605 HydrophobicContact CG1-CD1 3.66Å; V601-L605 HydrophobicContact CG1-CD2 4.34Å; V601-L605 HydrophobicContact CG1-CG 3.74Å; V601-L605 PolarHBondContact O-N 2.73Å; V601-L605 VanDerWaalsContact O-N 3.15Å
602	M	84.2	Confident	75.8	Confident	7 Å²	7	72.3 Å²	72.3	3%	0.034	38%	0.378	C	S	.	.	H	α-helix	trans	-56.8	-39.8	-174.5	-79.6	-57.2	-39	0	0	115.5	R467 E598 Y604 L605 N606 V655 L657	R467-M602 PolarHBondContact NH1-SD 3.21Å; E598-M602 HydrophobicContact CG-CG 3.68Å; E598-M602 VanDerWaalsContact O-CB 3.26Å; E598-M602 WeakPolarHBondContact O-CB 3.45Å; E598-M602 WeakPolarHBondContact O-CG 3Å; E598-M602 PolarHBondContact O-N 3.02Å; M602-Y604 VanDerWaalsContact C-N 3.29Å; M602-Y604 PolarHBondContact O-N 3.09Å; M602-L605 PolarHBondContact O-N 3.33Å; M602-L605 HydrophobicContact SD-CD1 4.23Å; M602-N606 WeakPolarHBondContact CE-OD1 3.49Å; M602-N606 WeakPolarHBondContact O-CB 3.39Å; M602-N606 PolarHBondContact O-N 2.9Å; M602-N606 PolarHBondContact O-ND2 3.19Å; M602-V655 HydrophobicContact CE-CB 4.23Å; M602-V655 HydrophobicContact CE-CG1 3.87Å; M602-V655 HydrophobicContact SD-CG1 4.39Å; M602-L657 HydrophobicContact CG-CD1 3.87Å; M602-L657 HydrophobicContact SD-CD1 3.49Å; M602-L657 WeakPolarHBondContact SD-CD1 3.42Å; M602-L657 HydrophobicContact SD-CG 3.94Å
603	P	84.9	Confident	78	Confident	72 Å²	72	65.8 Å²	65.8	47%	0.468	35%	0.349	S	S	.	.	H	α-helix	trans	-57.3	-42.1	176.1	-26	35.2	0	0	0	112.6	Q599 V601 V607	Q599-P603 WeakPolarHBondContact O-CD 3.29Å; V601-P603 VanDerWaalsContact C-CD 3.48Å; P603-V607 WeakPolarHBondContact O-CG2 3.36Å; P603-V607 PolarHBondContact O-N 3.33Å; P603-V607 VanDerWaalsContact O-N 3.17Å
604	Y	90.6	Very high	80.2	Confident	178 Å²	178	71.9 Å²	71.9	70%	0.698	36%	0.358	S	S	*	.	H	α-helix	trans	-68.4	-41.4	178.5	-57.7	-80.8	0	0	0	111.8	L600 V601 M602 V607 L608	L600-Y604 WeakPolarHBondContact O-CD2 3.29Å; L600-Y604 WeakPolarHBondContact O-CE2 3.38Å; V601-Y604 PolarHBondContact O-N 2.88Å; V601-Y604 VanDerWaalsContact O-N 3.12Å; M602-Y604 VanDerWaalsContact C-N 3.29Å; M602-Y604 PolarHBondContact O-N 3.09Å; Y604-V607 PolarHBondContact O-N 2.9Å; Y604-L608 WeakPolarHBondContact O-CB 3.31Å; Y604-L608 PolarHBondContact O-N 3.42Å
605	L	89.4	Confident	82.2	Confident	17 Å²	17	71.6 Å²	71.6	9%	0.089	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-37.2	177.9	-64.5	-178.9	0	0	0	112.6	V601 M602 L608 S609 L639 V644 V655 L657	V601-L605 HydrophobicContact CG1-CD1 3.66Å; V601-L605 HydrophobicContact CG1-CD2 4.34Å; V601-L605 HydrophobicContact CG1-CG 3.74Å; V601-L605 PolarHBondContact O-N 2.73Å; V601-L605 VanDerWaalsContact O-N 3.15Å; M602-L605 PolarHBondContact O-N 3.33Å; M602-L605 HydrophobicContact SD-CD1 4.23Å; L605-L608 PolarHBondContact O-N 2.74Å; L605-S609 VanDerWaalsContact O-CB 3.28Å; L605-S609 WeakPolarHBondContact O-CB 3.24Å; L605-S609 PolarHBondContact O-N 3.34Å; L605-L639 HydrophobicContact CD2-CD2 4.48Å; L605-V644 HydrophobicContact CD1-CG1 4.08Å; L605-V644 HydrophobicContact CD1-CG2 3.63Å; L605-V644 HydrophobicContact CD2-CG1 4.2Å; L605-V644 HydrophobicContact CD2-CG2 3.86Å; L605-V644 HydrophobicContact CG-CG2 4.42Å; L605-V655 HydrophobicContact CB-CG1 3.92Å; L605-V655 HydrophobicContact CD1-CG1 4.2Å; L605-L657 HydrophobicContact CD1-CD2 3.68Å; L605-L657 HydrophobicContact CD1-CG 4.19Å
606	N	86.2	Confident	84.1	Confident	56 Å²	56	71.7 Å²	71.7	30%	0.299	35%	0.35	S	S	.	.	H	α-helix	trans	-63.1	-47.7	175.5	-71.2	-19.1	0	0	0	110.8	M602 L608 S609 E610	M602-N606 WeakPolarHBondContact CE-OD1 3.49Å; M602-N606 WeakPolarHBondContact O-CB 3.39Å; M602-N606 PolarHBondContact O-N 2.9Å; M602-N606 PolarHBondContact O-ND2 3.19Å; N606-L608 VanDerWaalsContact C-N 3.34Å; N606-L608 PolarHBondContact O-N 3.04Å; N606-S609 PolarHBondContact O-N 2.82Å; N606-E610 WeakPolarHBondContact O-CG 3Å; N606-E610 PolarHBondContact O-N 3.47Å
607	V	88.7	Confident	85.5	Confident	98 Å²	98	74.2 Å²	74.2	59%	0.594	35%	0.354	S	S	*	.	H	α-helix	trans	-60.9	-43.2	176.7	172.5	0	0	0	0	111.3	P603 Y604 E610 F611	P603-V607 WeakPolarHBondContact O-CG2 3.36Å; P603-V607 PolarHBondContact O-N 3.33Å; P603-V607 VanDerWaalsContact O-N 3.17Å; Y604-V607 PolarHBondContact O-N 2.9Å; V607-E610 PolarHBondContact O-N 3.44Å; V607-F611 WeakPolarHBondContact O-CB 3.18Å; V607-F611 PolarHBondContact O-N 3.48Å
608	L	91.7	Very high	86.5	Confident	60 Å²	60	72 Å²	72	31%	0.314	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-42	177.1	-178.5	63.8	0	0	0	111.9	Y604 L605 N606 F611 R612 L634 L639	Y604-L608 WeakPolarHBondContact O-CB 3.31Å; Y604-L608 PolarHBondContact O-N 3.42Å; L605-L608 PolarHBondContact O-N 2.74Å; N606-L608 VanDerWaalsContact C-N 3.34Å; N606-L608 PolarHBondContact O-N 3.04Å; L608-F611 PolarHBondContact O-N 3.36Å; L608-R612 WeakPolarHBondContact O-CB 3.47Å; L608-R612 PolarHBondContact O-N 3.35Å; L608-L634 HydrophobicContact CD1-CD2 4.29Å; L608-L639 HydrophobicContact CD2-CD1 4.48Å; L608-L639 HydrophobicContact CD2-CD2 3.94Å
609	S	88.6	Confident	87.4	Confident	9 Å²	9	71 Å²	71	6%	0.063	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-43	177	-173	0	0	0	0	111.4	L605 N606 R612 E613 T653	L605-S609 VanDerWaalsContact O-CB 3.28Å; L605-S609 WeakPolarHBondContact O-CB 3.24Å; L605-S609 PolarHBondContact O-N 3.34Å; N606-S609 PolarHBondContact O-N 2.82Å; S609-R612 PolarHBondContact O-N 3.46Å; S609-E613 WeakPolarHBondContact O-CB 3.46Å; S609-E613 PolarHBondContact O-N 3.48Å; S609-T653 WeakPolarHBondContact OG-CB 3.17Å; S609-T653 WeakPolarHBondContact OG-CG2 3.33Å
610	E	87.4	Confident	88.3	Confident	103 Å²	103	72.9 Å²	72.9	48%	0.481	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-41.4	176.4	-74.1	179	-171.8	0	0	112.1	N606 V607 E613 R614	N606-E610 WeakPolarHBondContact O-CG 3Å; N606-E610 PolarHBondContact O-N 3.47Å; V607-E610 PolarHBondContact O-N 3.44Å; E610-E613 PolarHBondContact O-N 2.91Å; E610-R614 WeakPolarHBondContact O-CG 3.49Å; E610-R614 PolarHBondContact O-N 2.97Å
611	F	91.8	Very high	88.7	Confident	133 Å²	133	74.6 Å²	74.6	58%	0.583	35%	0.35	S	S	*	.	H	α-helix	trans	-61.4	-50.2	174.6	174	-101.4	0	0	0	111.4	V607 L608 E613 R614 V615	V607-F611 WeakPolarHBondContact O-CB 3.18Å; V607-F611 PolarHBondContact O-N 3.48Å; L608-F611 PolarHBondContact O-N 3.36Å; F611-E613 PolarHBondContact O-N 3.37Å; F611-R614 PolarHBondContact O-N 3.1Å; F611-V615 HydrophobicContact CD1-CG2 4.29Å; F611-V615 HydrophobicContact CD2-CG2 4.39Å; F611-V615 HydrophobicContact CE1-CG2 3.86Å; F611-V615 HydrophobicContact CE2-CG2 3.96Å; F611-V615 HydrophobicContact CZ-CG2 3.68Å; F611-V615 WeakPolarHBondContact O-CG2 2.95Å; F611-V615 PolarHBondContact O-N 3.36Å
612	R	91.9	Very high	89	Confident	4 Å²	4	77.1 Å²	77.1	2%	0.015	36%	0.357	C	S	.	.	H	α-helix	trans	-55.3	-42	176.9	178	-176.5	169	-88.9	8.6	111.1	L608 S609 V615 R616 C631 D648	L608-R612 WeakPolarHBondContact O-CB 3.47Å; L608-R612 PolarHBondContact O-N 3.35Å; S609-R612 PolarHBondContact O-N 3.46Å; R612-V615 PolarHBondContact O-N 2.98Å; R612-R616 VanDerWaalsContact O-CB 3.28Å; R612-R616 WeakPolarHBondContact O-CB 3.35Å; R612-R616 PolarHBondContact O-N 3.11Å; R612-C631 HydrophobicContact CG-CB 4.37Å; R612-C631 PolarHBondContact NE-O 3.02Å; R612-C631 VanDerWaalsContact NE-O 3.08Å; R612-D648 IonicContact CZ-OD1 2.9Å; R612-D648 IonicContact CZ-OD2 3.37Å; R612-D648 IonicContact NH1-OD1 3.29Å; R612-D648 PolarHBondContact NH1-OD1 3.31Å; R612-D648 IonicContact NH1-OD2 3.52Å; R612-D648 IonicContact NH2-OD1 3.99Å; R612-D648 PolarHBondContact NH2-OD1 2.78Å; R612-D648 IonicContact NH2-OD2 2.7Å; R612-D648 PolarHBondContact NH2-OD2 3.05Å
613	E	87.5	Confident	89.1	Confident	31 Å²	31	85.8 Å²	85.8	15%	0.145	40%	0.395	C	S	.	.	H	α-helix	trans	-68.4	-40.1	-176.2	-131.4	49.1	-152.8	0	0	112.7	S609 E610 F611 R616 E617 T653	S609-E613 WeakPolarHBondContact O-CB 3.46Å; S609-E613 PolarHBondContact O-N 3.48Å; E610-E613 PolarHBondContact O-N 2.91Å; F611-E613 PolarHBondContact O-N 3.37Å; E613-R616 PolarHBondContact O-N 3.1Å; E613-R616 WeakPolarHBondContact OE1-CD 3.33Å; E613-R616 IonicContact OE1-CZ 2.99Å; E613-R616 IonicContact OE1-NH1 3.75Å; E613-R616 PolarHBondContact OE1-NH1 3.4Å; E613-E617 WeakPolarHBondContact O-CG 3.07Å; E613-E617 PolarHBondContact O-N 3.46Å; E613-T653 PolarHBondContact OE1-OG1 3.13Å; E613-T653 PolarHBondContact OE2-OG1 2.89Å
614	R	88.6	Confident	89.4	Confident	174 Å²	174	85.8 Å²	85.8	66%	0.657	39%	0.39	S	S	*	.	H	α-helix	trans	-61.3	-45.3	171.8	-66.9	180	-170.9	-166.1	4.4	111.9	E610 F611 R616 E617 E618	E610-R614 WeakPolarHBondContact O-CG 3.49Å; E610-R614 PolarHBondContact O-N 2.97Å; F611-R614 PolarHBondContact O-N 3.1Å; R614-R616 VanDerWaalsContact C-N 3.28Å; R614-R616 PolarHBondContact O-N 3.1Å; R614-E617 PolarHBondContact O-N 2.75Å; R614-E618 WeakPolarHBondContact O-CG 3.44Å; R614-E618 PolarHBondContact O-N 2.75Å
615	V	91.2	Very high	89.3	Confident	30 Å²	30	79.2 Å²	79.2	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-60.4	-40.7	177.4	172	0	0	0	0	111.1	F611 R612 A619 L627	F611-V615 HydrophobicContact CD1-CG2 4.29Å; F611-V615 HydrophobicContact CD2-CG2 4.39Å; F611-V615 HydrophobicContact CE1-CG2 3.86Å; F611-V615 HydrophobicContact CE2-CG2 3.96Å; F611-V615 HydrophobicContact CZ-CG2 3.68Å; F611-V615 WeakPolarHBondContact O-CG2 2.95Å; F611-V615 PolarHBondContact O-N 3.36Å; R612-V615 PolarHBondContact O-N 2.98Å; V615-A619 VanDerWaalsContact O-CB 3.28Å; V615-A619 WeakPolarHBondContact O-CB 3.47Å; V615-A619 PolarHBondContact O-N 3.46Å; V615-L627 HydrophobicContact CG1-CD1 3.62Å; V615-L627 HydrophobicContact CG1-CD2 3.78Å; V615-L627 HydrophobicContact CG1-CG 3.67Å
616	R	89.2	Confident	89.3	Confident	27 Å²	27	83 Å²	83	10%	0.102	40%	0.4	C	S	.	.	H	α-helix	trans	-69.9	-37.3	179.3	-171.6	-174.5	-177.3	-151.2	13.3	112.8	R612 E613 R614 R620 L628 D648	R612-R616 VanDerWaalsContact O-CB 3.28Å; R612-R616 WeakPolarHBondContact O-CB 3.35Å; R612-R616 PolarHBondContact O-N 3.11Å; E613-R616 PolarHBondContact O-N 3.1Å; E613-R616 WeakPolarHBondContact OE1-CD 3.33Å; E613-R616 IonicContact OE1-CZ 2.99Å; E613-R616 IonicContact OE1-NH1 3.75Å; E613-R616 PolarHBondContact OE1-NH1 3.4Å; R614-R616 VanDerWaalsContact C-N 3.28Å; R614-R616 PolarHBondContact O-N 3.1Å; R616-R620 WeakPolarHBondContact O-CB 3.2Å; R616-R620 VanDerWaalsContact O-CG 3.31Å; R616-R620 WeakPolarHBondContact O-CG 3.43Å; R616-R620 PolarHBondContact O-N 3.48Å; R616-L628 HydrophobicContact CG-CD2 3.92Å; R616-D648 VanDerWaalsContact CZ-CG 3.41Å; R616-D648 IonicContact CZ-OD1 3.96Å; R616-D648 IonicContact CZ-OD2 3.15Å; R616-D648 VanDerWaalsContact CZ-OD2 3.24Å; R616-D648 IonicContact NE-OD2 2.89Å; R616-D648 IonicContact NH1-OD1 3.77Å; R616-D648 PolarHBondContact NH1-OD1 3.17Å; R616-D648 IonicContact NH1-OD2 2.93Å; R616-D648 PolarHBondContact NH1-OD2 3.4Å; R616-D648 VanDerWaalsContact NH2-CG 3.32Å; R616-D648 IonicContact NH2-OD2 2.81Å; R616-D648 PolarHBondContact NH2-OD2 3.28Å
617	E	87.3	Confident	89.5	Confident	122 Å²	122	83.4 Å²	83.4	57%	0.57	40%	0.402	S	S	*	.	H	α-helix	trans	-61.7	-50.4	173	-75.4	176.5	168.6	0	0	110.8	E613 R614 A619 R620 E621	E613-E617 WeakPolarHBondContact O-CG 3.07Å; E613-E617 PolarHBondContact O-N 3.46Å; R614-E617 PolarHBondContact O-N 2.75Å; E617-A619 VanDerWaalsContact C-N 3.34Å; E617-A619 PolarHBondContact O-N 3.01Å; E617-R620 PolarHBondContact O-N 3.01Å; E617-E621 PolarHBondContact O-N 2.92Å
618	E	89.6	Confident	89.6	Confident	104 Å²	104	81 Å²	81	49%	0.486	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-43.1	175.5	-72.3	-67.7	164.9	0	0	112.2	R614 R620 E621 H622	R614-E618 WeakPolarHBondContact O-CG 3.44Å; R614-E618 PolarHBondContact O-N 2.75Å; E618-R620 VanDerWaalsContact C-N 3.34Å; E618-R620 PolarHBondContact O-N 3.01Å; E618-E621 PolarHBondContact O-N 3.15Å; E618-H622 WeakPolarHBondContact O-CB 3.49Å; E618-H622 PolarHBondContact O-N 3.3Å; E618-H622 PolarHBondContact O-ND1 3.22Å; E618-H622 IonicContact OE2-CE1 2.94Å; E618-H622 PolarHBondContact OE2-CE1 3.29Å; E618-H622 IonicContact OE2-ND1 2.82Å; E618-H622 PolarHBondContact OE2-ND1 3.39Å
619	A	90	Very high	89.5	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-64	-37.1	177.9	0	0	0	0	0	112.6	V615 E617 K623 I624 L627 L628	V615-A619 VanDerWaalsContact O-CB 3.28Å; V615-A619 WeakPolarHBondContact O-CB 3.47Å; V615-A619 PolarHBondContact O-N 3.46Å; E617-A619 VanDerWaalsContact C-N 3.34Å; E617-A619 PolarHBondContact O-N 3.01Å; A619-K623 CarbonylContact O-C 3.58Å; A619-K623 VanDerWaalsContact O-CA 3.31Å; A619-K623 WeakPolarHBondContact O-CA 3.44Å; A619-K623 PolarHBondContact O-N 2.78Å; A619-I624 PolarHBondContact O-N 3.14Å; A619-L627 HydrophobicContact CB-CB 3.97Å; A619-L627 HydrophobicContact CB-CD2 3.77Å; A619-L627 HydrophobicContact CB-CG 3.93Å; A619-L628 HydrophobicContact CB-CD2 3.68Å; A619-L628 HydrophobicContact CB-CG 3.89Å
620	R	89	Confident	89.6	Confident	135 Å²	135	88.8 Å²	88.8	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-70	-42.2	176.1	-78.4	173.2	173.6	167.9	-4.4	111.9	R616 E617 E618 H622 K623 L628	R616-R620 WeakPolarHBondContact O-CB 3.2Å; R616-R620 VanDerWaalsContact O-CG 3.31Å; R616-R620 WeakPolarHBondContact O-CG 3.43Å; R616-R620 PolarHBondContact O-N 3.48Å; E617-R620 PolarHBondContact O-N 3.01Å; E618-R620 VanDerWaalsContact C-N 3.34Å; E618-R620 PolarHBondContact O-N 3.01Å; R620-H622 VanDerWaalsContact C-N 3.35Å; R620-K623 PolarHBondContact O-N 3.26Å; R620-L628 HydrophobicContact CG-CD2 4.13Å
621	E	89.9	Confident	89.8	Confident	147 Å²	147	84.3 Å²	84.3	69%	0.687	40%	0.399	S	S	*	.	H	α-helix	trans	-61.9	-44.9	177.6	-174.8	166.9	-179.4	0	0	111.1	E617 E618	E617-E621 PolarHBondContact O-N 2.92Å; E618-E621 PolarHBondContact O-N 3.15Å
622	H	91.1	Very high	89.6	Confident	113 Å²	113	80.7 Å²	80.7	52%	0.523	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	0.8	-179	-63	90.7	0	0	0	114.4	E618 R620 I624	E618-H622 WeakPolarHBondContact O-CB 3.49Å; E618-H622 PolarHBondContact O-N 3.3Å; E618-H622 PolarHBondContact O-ND1 3.22Å; E618-H622 IonicContact OE2-CE1 2.94Å; E618-H622 PolarHBondContact OE2-CE1 3.29Å; E618-H622 IonicContact OE2-ND1 2.82Å; E618-H622 PolarHBondContact OE2-ND1 3.39Å; R620-H622 VanDerWaalsContact C-N 3.35Å; H622-I624 VanDerWaalsContact C-N 3.26Å; H622-I624 HydrophobicContact CB-CD1 3.72Å; H622-I624 HydrophobicContact CB-CG1 3.73Å; H622-I624 PolarHBondContact O-N 2.8Å
623	K	87.4	Confident	89.6	Confident	189 Å²	189	86.2 Å²	86.2	82%	0.822	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	38	-177.4	-57.5	-179.8	-177.9	175.9	0	114.1	A619 R620 G625	A619-K623 CarbonylContact O-C 3.58Å; A619-K623 VanDerWaalsContact O-CA 3.31Å; A619-K623 WeakPolarHBondContact O-CA 3.44Å; A619-K623 PolarHBondContact O-N 2.78Å; R620-K623 PolarHBondContact O-N 3.26Å; K623-G625 PolarHBondContact O-N 3Å
624	I	89.9	Confident	89.8	Confident	72 Å²	72	86.6 Å²	86.6	37%	0.369	41%	0.41	S	S	.	.			trans	-85.4	93.8	-179.1	-55.2	173.7	0	0	0	109.1	A619 H622 T626 L627 L628	A619-I624 PolarHBondContact O-N 3.14Å; H622-I624 VanDerWaalsContact C-N 3.26Å; H622-I624 HydrophobicContact CB-CD1 3.72Å; H622-I624 HydrophobicContact CB-CG1 3.73Å; H622-I624 PolarHBondContact O-N 2.8Å; I624-T626 PolarHBondContact O-N 3.06Å; I624-L627 HydrophobicContact CB-CB 4.25Å; I624-L627 HydrophobicContact CG2-CB 3.78Å; I624-L627 PolarHBondContact O-N 3.45Å; I624-L628 PolarHBondContact O-N 2.92Å
625	G	88.9	Confident	89.9	Confident	39 Å²	39	80.5 Å²	80.5	40%	0.402	39%	0.387	S	S	.	.	H	α-helix	trans	-59	-42	-177.8	0	0	0	0	0	114	K623 L627 L628 E629	K623-G625 PolarHBondContact O-N 3Å; G625-L627 VanDerWaalsContact C-N 3.28Å; G625-L627 PolarHBondContact O-N 2.94Å; G625-L628 WeakPolarHBondContact O-CB 3.17Å; G625-L628 PolarHBondContact O-N 3.16Å; G625-L628 VanDerWaalsContact O-N 3.13Å; G625-E629 WeakPolarHBondContact O-CG 3.41Å; G625-E629 PolarHBondContact O-N 3.42Å
626	T	90.3	Very high	89.6	Confident	98 Å²	98	83 Å²	83	60%	0.601	40%	0.399	S	S	*	.	H	α-helix	trans	-61.4	-34.7	-178.9	50.8	0	0	0	0	113.2	I624 E629 E630	I624-T626 PolarHBondContact O-N 3.06Å; T626-E629 PolarHBondContact O-N 3.14Å; T626-E630 PolarHBondContact O-N 3.35Å
627	L	90.5	Very high	89.5	Confident	63 Å²	63	86 Å²	86	33%	0.33	41%	0.414	S	S	.	.	H	α-helix	trans	-74.6	-35.1	178.7	-170.9	58.4	0	0	0	111.2	V615 A619 I624 G625 E630 C631	V615-L627 HydrophobicContact CG1-CD1 3.62Å; V615-L627 HydrophobicContact CG1-CD2 3.78Å; V615-L627 HydrophobicContact CG1-CG 3.67Å; A619-L627 HydrophobicContact CB-CB 3.97Å; A619-L627 HydrophobicContact CB-CD2 3.77Å; A619-L627 HydrophobicContact CB-CG 3.93Å; I624-L627 HydrophobicContact CB-CB 4.25Å; I624-L627 HydrophobicContact CG2-CB 3.78Å; I624-L627 PolarHBondContact O-N 3.45Å; G625-L627 VanDerWaalsContact C-N 3.28Å; G625-L627 PolarHBondContact O-N 2.94Å; L627-E630 PolarHBondContact O-N 2.95Å; L627-C631 PolarHBondContact O-N 3.12Å; L627-C631 PolarHBondContact O-SG 3.09Å
628	L	89.2	Confident	89.6	Confident	48 Å²	48	83.5 Å²	83.5	25%	0.251	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-41.7	171.6	-65.1	174.4	0	0	0	111.4	R616 A619 R620 I624 G625 C631 D632	R616-L628 HydrophobicContact CG-CD2 3.92Å; A619-L628 HydrophobicContact CB-CD2 3.68Å; A619-L628 HydrophobicContact CB-CG 3.89Å; R620-L628 HydrophobicContact CG-CD2 4.13Å; I624-L628 PolarHBondContact O-N 2.92Å; G625-L628 WeakPolarHBondContact O-CB 3.17Å; G625-L628 PolarHBondContact O-N 3.16Å; G625-L628 VanDerWaalsContact O-N 3.13Å; L628-C631 WeakPolarHBondContact O-CB 3.18Å; L628-C631 PolarHBondContact O-N 2.98Å; L628-D632 WeakPolarHBondContact O-CB 3.42Å; L628-D632 PolarHBondContact O-N 2.83Å
629	E	89.9	Confident	89.6	Confident	131 Å²	131	78.7 Å²	78.7	61%	0.612	38%	0.382	S	S	*	.	H	α-helix	trans	-60	-43.8	174.7	-72	168.9	-174.8	0	0	111.8	G625 T626 D632 R633	G625-E629 WeakPolarHBondContact O-CG 3.41Å; G625-E629 PolarHBondContact O-N 3.42Å; T626-E629 PolarHBondContact O-N 3.14Å; E629-D632 PolarHBondContact O-N 3.3Å; E629-R633 WeakPolarHBondContact O-CB 3.27Å; E629-R633 PolarHBondContact O-N 3.33Å
630	E	90.9	Very high	89.5	Confident	101 Å²	101	79.8 Å²	79.8	47%	0.472	39%	0.388	S	S	.	.	H	α-helix	trans	-66.9	-36.8	174.8	-75.5	-62.8	148.2	0	0	112.6	T626 L627 D632 R633 L634	T626-E630 PolarHBondContact O-N 3.35Å; L627-E630 PolarHBondContact O-N 2.95Å; E630-D632 VanDerWaalsContact C-N 3.31Å; E630-D632 PolarHBondContact O-N 2.83Å; E630-R633 PolarHBondContact O-N 2.89Å; E630-R633 IonicContact OE1-NH1 2.92Å; E630-R633 PolarHBondContact OE1-NH1 3.31Å; E630-R633 IonicContact OE2-NH1 3.92Å; E630-R633 PolarHBondContact OE2-NH1 2.99Å; E630-L634 PolarHBondContact O-N 2.7Å
631	C	91.3	Very high	89.4	Confident	9 Å²	9	76.3 Å²	76.3	6%	0.061	38%	0.38	C	S	.	.	H	α-helix	trans	-64.3	-34.8	172.3	-72.8	0	0	0	0	112.9	R612 L627 L628 R635	R612-C631 HydrophobicContact CG-CB 4.37Å; R612-C631 PolarHBondContact NE-O 3.02Å; R612-C631 VanDerWaalsContact NE-O 3.08Å; L627-C631 PolarHBondContact O-N 3.12Å; L627-C631 PolarHBondContact O-SG 3.09Å; L628-C631 WeakPolarHBondContact O-CB 3.18Å; L628-C631 PolarHBondContact O-N 2.98Å; C631-R635 PolarHBondContact O-N 3.19Å
632	D	89.4	Confident	89.2	Confident	58 Å²	58	75.2 Å²	75.2	31%	0.31	38%	0.378	S	S	.	.	H	α-helix	trans	-75	-40	176.4	-76.5	-24.7	0	0	0	111	L628 E629 E630 L634 R635 D636	L628-D632 WeakPolarHBondContact O-CB 3.42Å; L628-D632 PolarHBondContact O-N 2.83Å; E629-D632 PolarHBondContact O-N 3.3Å; E630-D632 VanDerWaalsContact C-N 3.31Å; E630-D632 PolarHBondContact O-N 2.83Å; D632-L634 VanDerWaalsContact C-N 3.35Å; D632-L634 PolarHBondContact O-N 3.11Å; D632-R635 WeakPolarHBondContact O-CB 3.22Å; D632-R635 PolarHBondContact O-N 2.89Å; D632-R635 VanDerWaalsContact O-N 3.12Å; D632-R635 IonicContact OD1-CZ 3.39Å; D632-R635 IonicContact OD1-NH1 3.53Å; D632-R635 PolarHBondContact OD1-NH1 3.36Å; D632-R635 IonicContact OD1-NH2 3.23Å; D632-R635 PolarHBondContact OD1-NH2 3.26Å; D632-D636 WeakPolarHBondContact O-CB 3.45Å; D632-D636 PolarHBondContact O-N 3.49Å
633	R	91.3	Very high	88.9	Confident	120 Å²	120	70 Å²	70	45%	0.453	35%	0.354	S	S	.	.	H	α-helix	trans	-58.8	-43.7	172.1	-177.4	-176	172.3	-153.9	-1.6	112.2	E629 E630 R635 E637 I638	E629-R633 WeakPolarHBondContact O-CB 3.27Å; E629-R633 PolarHBondContact O-N 3.33Å; E630-R633 PolarHBondContact O-N 2.89Å; E630-R633 IonicContact OE1-NH1 2.92Å; E630-R633 PolarHBondContact OE1-NH1 3.31Å; E630-R633 IonicContact OE2-NH1 3.92Å; E630-R633 PolarHBondContact OE2-NH1 2.99Å; R633-R635 VanDerWaalsContact C-N 3.32Å; R633-R635 PolarHBondContact O-N 3.13Å; R633-E637 WeakPolarHBondContact O-CB 3.17Å; R633-E637 PolarHBondContact O-N 3.15Å; R633-I638 PolarHBondContact O-N 3.47Å
634	L	91.9	Very high	88.9	Confident	39 Å²	39	61.1 Å²	61.1	20%	0.204	32%	0.316	C	S	.	.	I	π-helix	trans	-59.8	-43.2	174.2	-179.4	63.5	0	0	0	111.4	L608 E630 D632 I638 L639	L608-L634 HydrophobicContact CD1-CD2 4.29Å; E630-L634 PolarHBondContact O-N 2.7Å; D632-L634 VanDerWaalsContact C-N 3.35Å; D632-L634 PolarHBondContact O-N 3.11Å; L634-I638 HydrophobicContact CD1-CB 4.09Å; L634-I638 HydrophobicContact CD1-CD1 4.22Å; L634-I638 HydrophobicContact CD1-CG2 4.07Å; L634-L639 HydrophobicContact CD1-CD1 4.43Å; L634-L639 HydrophobicContact CD1-CG 4.1Å; L634-L639 HydrophobicContact CG-CD1 4.12Å; L634-L639 HydrophobicContact CG-CG 4.28Å; L634-L639 VanDerWaalsContact O-CB 3.27Å; L634-L639 WeakPolarHBondContact O-CB 3.46Å; L634-L639 VanDerWaalsContact O-CG 3.23Å; L634-L639 WeakPolarHBondContact O-CG 3.42Å; L634-L639 PolarHBondContact O-N 3.03Å
635	R	89.2	Confident	88.8	Confident	46 Å²	46	60.1 Å²	60.1	17%	0.174	31%	0.308	C	S	.	.	I	π-helix	trans	-68.2	-50.9	-179.6	177.4	-176	76.8	-135.4	-14.7	112.8	C631 D632 R633 L646 D648	C631-R635 PolarHBondContact O-N 3.19Å; D632-R635 WeakPolarHBondContact O-CB 3.22Å; D632-R635 PolarHBondContact O-N 2.89Å; D632-R635 VanDerWaalsContact O-N 3.12Å; D632-R635 IonicContact OD1-CZ 3.39Å; D632-R635 IonicContact OD1-NH1 3.53Å; D632-R635 PolarHBondContact OD1-NH1 3.36Å; D632-R635 IonicContact OD1-NH2 3.23Å; D632-R635 PolarHBondContact OD1-NH2 3.26Å; R633-R635 VanDerWaalsContact C-N 3.32Å; R633-R635 PolarHBondContact O-N 3.13Å; R635-L646 HydrophobicContact CG-CB 4.07Å; R635-D648 IonicContact CZ-OD2 2.8Å; R635-D648 IonicContact NH1-OD2 2.99Å; R635-D648 PolarHBondContact NH1-OD2 3Å
636	D	86.3	Confident	88.8	Confident	82 Å²	82	58.8 Å²	58.8	44%	0.439	29%	0.292	S	S	.	.	I	π-helix	trans	-95.5	-18.6	-163.5	-65.4	-25.9	0	0	0	113.6	D632 V640	D632-D636 WeakPolarHBondContact O-CB 3.45Å; D632-D636 PolarHBondContact O-N 3.49Å; D636-V640 VanDerWaalsContact O-CG2 3.29Å; D636-V640 WeakPolarHBondContact O-CG2 3.17Å
637	E	86.2	Confident	88.6	Confident	89 Å²	89	56.6 Å²	56.6	42%	0.416	27%	0.274	S	S	.	.	I	π-helix	trans	-117.7	-63.9	-179.1	-56.8	-177.6	179.5	0	0	111.5	R633 V640 D641	R633-E637 WeakPolarHBondContact O-CB 3.17Å; R633-E637 PolarHBondContact O-N 3.15Å; E637-V640 PolarHBondContact O-N 2.73Å; E637-D641 PolarHBondContact O-N 2.8Å; E637-D641 VanDerWaalsContact O-N 3.17Å
638	I	90.2	Very high	88.3	Confident	70 Å²	70	55.7 Å²	55.7	36%	0.359	27%	0.27	S	S	.	.	I	π-helix	trans	-66.8	-49.3	-167.9	-59.3	176	0	0	0	111.4	R633 L634 V640 D641	R633-I638 PolarHBondContact O-N 3.47Å; L634-I638 HydrophobicContact CD1-CB 4.09Å; L634-I638 HydrophobicContact CD1-CD1 4.22Å; L634-I638 HydrophobicContact CD1-CG2 4.07Å; I638-V640 VanDerWaalsContact C-N 3.34Å; I638-D641 PolarHBondContact O-N 3.29Å
639	L	90.1	Very high	87.9	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-32	-178.5	-74.9	177.5	0	0	0	112.3	L605 L608 L634 D641 L642 G643 V644 L646	L605-L639 HydrophobicContact CD2-CD2 4.48Å; L608-L639 HydrophobicContact CD2-CD1 4.48Å; L608-L639 HydrophobicContact CD2-CD2 3.94Å; L634-L639 HydrophobicContact CD1-CD1 4.43Å; L634-L639 HydrophobicContact CD1-CG 4.1Å; L634-L639 HydrophobicContact CG-CD1 4.12Å; L634-L639 HydrophobicContact CG-CG 4.28Å; L634-L639 VanDerWaalsContact O-CB 3.27Å; L634-L639 WeakPolarHBondContact O-CB 3.46Å; L634-L639 VanDerWaalsContact O-CG 3.23Å; L634-L639 WeakPolarHBondContact O-CG 3.42Å; L634-L639 PolarHBondContact O-N 3.03Å; L639-D641 VanDerWaalsContact C-N 3.32Å; L639-D641 PolarHBondContact O-N 2.94Å; L639-L642 CarbonylContact O-C 3.5Å; L639-L642 WeakPolarHBondContact O-CA 3.49Å; L639-L642 WeakPolarHBondContact O-CB 3.44Å; L639-L642 PolarHBondContact O-N 3.15Å; L639-G643 PolarHBondContact O-N 3.05Å; L639-V644 CarbonylContact C-O 3.55Å; L639-V644 HydrophobicContact CB-CB 3.97Å; L639-V644 HydrophobicContact CB-CG1 4.25Å; L639-V644 HydrophobicContact CD1-CG1 4.37Å; L639-V644 HydrophobicContact CD2-CB 4.17Å; L639-V644 HydrophobicContact CD2-CG1 4.22Å; L639-V644 WeakPolarHBondContact O-CA 3.41Å; L639-V644 WeakPolarHBondContact O-CB 3.22Å; L639-V644 PolarHBondContact O-N 3.08Å; L639-V644 VanDerWaalsContact O-O 3.09Å; L639-L646 HydrophobicContact CD1-CD1 3.35Å; L639-L646 HydrophobicContact CD1-CD2 4.33Å; L639-L646 HydrophobicContact CD1-CG 3.69Å
640	V	85.9	Confident	87	Confident	22 Å²	22	56 Å²	56	13%	0.133	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.7	-42.1	176	177.8	0	0	0	0	110.7	D636 E637 I638 L642 G643 V644 L663	D636-V640 VanDerWaalsContact O-CG2 3.29Å; D636-V640 WeakPolarHBondContact O-CG2 3.17Å; E637-V640 PolarHBondContact O-N 2.73Å; I638-V640 VanDerWaalsContact C-N 3.34Å; V640-L642 PolarHBondContact O-N 3.41Å; V640-L642 VanDerWaalsContact O-N 3.13Å; V640-G643 PolarHBondContact O-N 3.3Å; V640-V644 PolarHBondContact N-O 2.69Å; V640-L663 HydrophobicContact CG1-CB 3.95Å; V640-L663 HydrophobicContact CG1-CD1 4.18Å
641	D	87.3	Confident	85.9	Confident	63 Å²	63	54.8 Å²	54.8	34%	0.337	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-64.2	-17.7	176.7	-67.9	-19.1	0	0	0	113	E637 I638 L639 R660 R667	E637-D641 PolarHBondContact O-N 2.8Å; E637-D641 VanDerWaalsContact O-N 3.17Å; I638-D641 PolarHBondContact O-N 3.29Å; L639-D641 VanDerWaalsContact C-N 3.32Å; L639-D641 PolarHBondContact O-N 2.94Å; D641-R660 VanDerWaalsContact O-CD 3.29Å; D641-R660 WeakPolarHBondContact O-CD 3.5Å; D641-R660 PolarHBondContact O-NE 2.81Å; D641-R667 IonicContact OD1-NH1 3.24Å; D641-R667 PolarHBondContact OD1-NH1 2.81Å
642	L	86.9	Confident	85.3	Confident	123 Å²	123	56.2 Å²	56.2	64%	0.644	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-99.4	2.7	176.7	-61	177.5	0	0	0	113.8	L639 V640 V644	L639-L642 CarbonylContact O-C 3.5Å; L639-L642 WeakPolarHBondContact O-CA 3.49Å; L639-L642 WeakPolarHBondContact O-CB 3.44Å; L639-L642 PolarHBondContact O-N 3.15Å; V640-L642 PolarHBondContact O-N 3.41Å; V640-L642 VanDerWaalsContact O-N 3.13Å; L642-V644 HydrophobicContact CB-CG2 4.49Å
643	G	85.2	Confident	85.1	Confident	3 Å²	3	53.7 Å²	53.7	3%	0.031	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	22.5	-176.3	0	0	0	0	0	113.8	L639 V640 V658	L639-G643 PolarHBondContact O-N 3.05Å; V640-G643 PolarHBondContact O-N 3.3Å; G643-V658 CarbonylContact C-O 3.53Å; G643-V658 VanDerWaalsContact CA-O 3.31Å; G643-V658 WeakPolarHBondContact CA-O 3.4Å; G643-V658 PolarHBondContact O-N 3.33Å
644	V	86.8	Confident	84.8	Confident	4 Å²	4	48 Å²	48	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.8	-177.9	-178.5	0	0	0	0	109.9	L605 L639 V640 L642 L646 V655 L657	L605-V644 HydrophobicContact CD1-CG1 4.08Å; L605-V644 HydrophobicContact CD1-CG2 3.63Å; L605-V644 HydrophobicContact CD2-CG1 4.2Å; L605-V644 HydrophobicContact CD2-CG2 3.86Å; L605-V644 HydrophobicContact CG-CG2 4.42Å; L639-V644 CarbonylContact C-O 3.55Å; L639-V644 HydrophobicContact CB-CB 3.97Å; L639-V644 HydrophobicContact CB-CG1 4.25Å; L639-V644 HydrophobicContact CD1-CG1 4.37Å; L639-V644 HydrophobicContact CD2-CB 4.17Å; L639-V644 HydrophobicContact CD2-CG1 4.22Å; L639-V644 WeakPolarHBondContact O-CA 3.41Å; L639-V644 WeakPolarHBondContact O-CB 3.22Å; L639-V644 PolarHBondContact O-N 3.08Å; L639-V644 VanDerWaalsContact O-O 3.09Å; V640-V644 PolarHBondContact N-O 2.69Å; L642-V644 HydrophobicContact CB-CG2 4.49Å; V644-L646 HydrophobicContact CG1-CD2 4.14Å; V644-V655 HydrophobicContact CG1-CG1 4.43Å; V644-L657 HydrophobicContact CG2-CD2 3.95Å
645	R	87.4	Confident	84.6	Confident	51 Å²	51	46.2 Å²	46.2	19%	0.192	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.3	173.3	-179	-177.2	-62.5	171.8	-0.7	109.4	E457 K656 V658 E666	E457-R645 IonicContact OE1-CZ 3.33Å; E457-R645 IonicContact OE1-NH1 3.9Å; E457-R645 PolarHBondContact OE1-NH1 2.86Å; E457-R645 IonicContact OE2-NH1 2.76Å; E457-R645 PolarHBondContact OE2-NH1 3.17Å; R645-K656 HydrophobicContact CB-CB 4.24Å; R645-K656 PolarHBondContact N-O 2.82Å; R645-K656 PolarHBondContact O-N 2.93Å; R645-V658 HydrophobicContact CB-CG2 4.44Å; R645-E666 IonicContact CZ-OE2 2.66Å; R645-E666 IonicContact NH2-OE2 3.72Å; R645-E666 PolarHBondContact NH2-OE2 3.45Å
646	L	89.2	Confident	84.3	Confident	11 Å²	11	44.2 Å²	44.2	6%	0.058	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.7	171.2	-51.3	179.9	0	0	0	110.1	R635 L639 V644 T653 V654 V655	R635-L646 HydrophobicContact CG-CB 4.07Å; L639-L646 HydrophobicContact CD1-CD1 3.35Å; L639-L646 HydrophobicContact CD1-CD2 4.33Å; L639-L646 HydrophobicContact CD1-CG 3.69Å; V644-L646 HydrophobicContact CG1-CD2 4.14Å; L646-T653 HydrophobicContact CB-CG2 3.83Å; L646-T653 HydrophobicContact CD1-CG2 4.39Å; L646-T653 HydrophobicContact CD2-CG2 4.32Å; L646-T653 HydrophobicContact CG-CG2 4.42Å; L646-V654 WeakPolarHBondContact CA-O 3.48Å; L646-V655 HydrophobicContact CD2-CB 4.26Å; L646-V655 HydrophobicContact CD2-CG1 4.1Å; L646-V655 HydrophobicContact CD2-CG2 3.88Å
647	E	85.2	Confident	84.2	Confident	51 Å²	51	42.4 Å²	42.4	24%	0.238	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.9	171.5	-69.8	-179.1	178.7	0	0	110.7	R649 T653 V654 K656	E647-R649 PolarHBondContact O-N 2.84Å; E647-R649 IonicContact OE2-CZ 2.57Å; E647-R649 IonicContact OE2-NE 2.94Å; E647-R649 IonicContact OE2-NH2 3.79Å; E647-R649 PolarHBondContact OE2-NH2 2.71Å; E647-R649 VanDerWaalsContact OE2-NH2 3.13Å; E647-T653 WeakPolarHBondContact O-CA 3.45Å; E647-V654 HydrophobicContact CB-CB 4.2Å; E647-V654 PolarHBondContact N-O 3.22Å; E647-V654 PolarHBondContact O-N 3.43Å; E647-K656 IonicContact OE1-NZ 2.78Å; E647-K656 PolarHBondContact OE1-NZ 3.13Å; E647-K656 WeakPolarHBondContact OE2-CE 3.39Å; E647-K656 IonicContact OE2-NZ 3.26Å; E647-K656 PolarHBondContact OE2-NZ 3.16Å
648	D	84.4	Confident	83.8	Confident	44 Å²	44	39.3 Å²	39.3	24%	0.235	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	109.6	178.8	-63.4	-40.6	0	0	0	110.3	R612 R616 R635 T653	R612-D648 IonicContact CZ-OD1 2.9Å; R612-D648 IonicContact CZ-OD2 3.37Å; R612-D648 IonicContact NH1-OD1 3.29Å; R612-D648 PolarHBondContact NH1-OD1 3.31Å; R612-D648 IonicContact NH1-OD2 3.52Å; R612-D648 IonicContact NH2-OD1 3.99Å; R612-D648 PolarHBondContact NH2-OD1 2.78Å; R612-D648 IonicContact NH2-OD2 2.7Å; R612-D648 PolarHBondContact NH2-OD2 3.05Å; R616-D648 VanDerWaalsContact CZ-CG 3.41Å; R616-D648 IonicContact CZ-OD1 3.96Å; R616-D648 IonicContact CZ-OD2 3.15Å; R616-D648 VanDerWaalsContact CZ-OD2 3.24Å; R616-D648 IonicContact NE-OD2 2.89Å; R616-D648 IonicContact NH1-OD1 3.77Å; R616-D648 PolarHBondContact NH1-OD1 3.17Å; R616-D648 IonicContact NH1-OD2 2.93Å; R616-D648 PolarHBondContact NH1-OD2 3.4Å; R616-D648 VanDerWaalsContact NH2-CG 3.32Å; R616-D648 IonicContact NH2-OD2 2.81Å; R616-D648 PolarHBondContact NH2-OD2 3.28Å; R635-D648 IonicContact CZ-OD2 2.8Å; R635-D648 IonicContact NH1-OD2 2.99Å; R635-D648 PolarHBondContact NH1-OD2 3Å; D648-T653 PolarHBondContact OD1-OG1 3.21Å
649	R	80.3	Confident	83.1	Confident	49 Å²	49	40.5 Å²	40.5	19%	0.185	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	163.7	173.2	-59.9	-169.5	-177.9	-154.8	-0.8	111	E647 G651 E652 V654	E647-R649 PolarHBondContact O-N 2.84Å; E647-R649 IonicContact OE2-CZ 2.57Å; E647-R649 IonicContact OE2-NE 2.94Å; E647-R649 IonicContact OE2-NH2 3.79Å; E647-R649 PolarHBondContact OE2-NH2 2.71Å; E647-R649 VanDerWaalsContact OE2-NH2 3.13Å; R649-G651 PolarHBondContact O-N 3.02Å; R649-E652 CarbonylContact C-O 3.59Å; R649-E652 WeakPolarHBondContact CA-O 3.43Å; R649-E652 WeakPolarHBondContact CB-O 3.32Å; R649-E652 PolarHBondContact N-O 2.94Å; R649-E652 PolarHBondContact O-N 3.46Å; R649-V654 HydrophobicContact CG-CG2 4.08Å
650	K	72.2	Confident	82.6	Confident	136 Å²	136	47 Å²	47	59%	0.591	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	106.9	176.2	-71.6	179.7	-173	164	0	108.7	S531 E532	S531-K650 PolarHBondContact OG-N 3.04Å; S531-K650 PolarHBondContact OG-O 3.43Å; E532-K650 HydrophobicContact CG-CD 4.25Å; E532-K650 IonicContact OE1-NZ 3.49Å; E532-K650 PolarHBondContact OE1-NZ 2.95Å; E532-K650 VanDerWaalsContact OE1-NZ 3.13Å
651	G	67.3	Low	82.2	Confident	76 Å²	76	50.5 Å²	50.5	78%	0.784	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	104	-13.2	175.9	0	0	0	0	0	115.7	R649	R649-G651 PolarHBondContact O-N 3.02Å
652	E	78.4	Confident	81.5	Confident	39 Å²	39	50.4 Å²	50.4	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	149	178.7	176.8	167.2	169.8	0	0	112.8	H464 K468 H469 R649	H464-E652 IonicContact CD2-OE1 3.71Å; H464-E652 IonicContact CE1-OE1 2.73Å; H464-E652 PolarHBondContact CE1-OE1 2.8Å; H464-E652 IonicContact NE2-OE1 2.81Å; H464-E652 PolarHBondContact NE2-OE1 3.4Å; K468-E652 WeakPolarHBondContact CD-OE1 3.38Å; K468-E652 WeakPolarHBondContact CE-OE1 3.28Å; K468-E652 IonicContact NZ-OE1 3.75Å; K468-E652 PolarHBondContact NZ-OE1 3.01Å; K468-E652 IonicContact NZ-OE2 2.87Å; K468-E652 PolarHBondContact NZ-OE2 2.71Å; H469-E652 IonicContact NE2-OE2 2.74Å; R649-E652 CarbonylContact C-O 3.59Å; R649-E652 WeakPolarHBondContact CA-O 3.43Å; R649-E652 WeakPolarHBondContact CB-O 3.32Å; R649-E652 PolarHBondContact N-O 2.94Å; R649-E652 PolarHBondContact O-N 3.46Å
653	T	85.6	Confident	81.1	Confident	6 Å²	6	44.8 Å²	44.8	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123	168.2	-59.1	0	0	0	0	111	S609 E613 L646 E647 D648	S609-T653 WeakPolarHBondContact OG-CB 3.17Å; S609-T653 WeakPolarHBondContact OG-CG2 3.33Å; E613-T653 PolarHBondContact OE1-OG1 3.13Å; E613-T653 PolarHBondContact OE2-OG1 2.89Å; L646-T653 HydrophobicContact CB-CG2 3.83Å; L646-T653 HydrophobicContact CD1-CG2 4.39Å; L646-T653 HydrophobicContact CD2-CG2 4.32Å; L646-T653 HydrophobicContact CG-CG2 4.42Å; E647-T653 WeakPolarHBondContact O-CA 3.45Å; D648-T653 PolarHBondContact OD1-OG1 3.21Å
654	V	85.5	Confident	80.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.3	178.3	176.4	0	0	0	0	109.3	H464 L646 E647 R649 K656	H464-V654 HydrophobicContact CB-CG1 3.75Å; L646-V654 WeakPolarHBondContact CA-O 3.48Å; E647-V654 HydrophobicContact CB-CB 4.2Å; E647-V654 PolarHBondContact N-O 3.22Å; E647-V654 PolarHBondContact O-N 3.43Å; R649-V654 HydrophobicContact CG-CG2 4.08Å; V654-K656 HydrophobicContact CG1-CG 4.05Å
655	V	86.5	Confident	80.4	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.5	-177.8	-175.5	0	0	0	0	109.8	H464 M602 L605 V644 L646	H464-V655 PolarHBondContact CE1-N 3.47Å; H464-V655 PolarHBondContact ND1-N 3.07Å; M602-V655 HydrophobicContact CE-CB 4.23Å; M602-V655 HydrophobicContact CE-CG1 3.87Å; M602-V655 HydrophobicContact SD-CG1 4.39Å; L605-V655 HydrophobicContact CB-CG1 3.92Å; L605-V655 HydrophobicContact CD1-CG1 4.2Å; V644-V655 HydrophobicContact CG1-CG1 4.43Å; L646-V655 HydrophobicContact CD2-CB 4.26Å; L646-V655 HydrophobicContact CD2-CG1 4.1Å; L646-V655 HydrophobicContact CD2-CG2 3.88Å
656	K	84.4	Confident	79.8	Confident	3 Å²	3	52 Å²	52	1%	0.013	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.9	-179.1	-58.7	-180	171	-177.5	0	110.3	E457 L460 T461 R645 E647 V654 V658	E457-K656 IonicContact OE2-NZ 3.73Å; E457-K656 PolarHBondContact OE2-NZ 3.43Å; L460-K656 HydrophobicContact CB-CB 4.2Å; L460-K656 HydrophobicContact CB-CD 3.79Å; L460-K656 HydrophobicContact CB-CG 3.89Å; L460-K656 HydrophobicContact CD1-CB 4.36Å; L460-K656 HydrophobicContact CD1-CD 4.3Å; T461-K656 WeakPolarHBondContact OG1-CE 3.44Å; T461-K656 PolarHBondContact OG1-NZ 3.22Å; T461-K656 VanDerWaalsContact OG1-NZ 3.09Å; R645-K656 HydrophobicContact CB-CB 4.24Å; R645-K656 PolarHBondContact N-O 2.82Å; R645-K656 PolarHBondContact O-N 2.93Å; E647-K656 IonicContact OE1-NZ 2.78Å; E647-K656 PolarHBondContact OE1-NZ 3.13Å; E647-K656 WeakPolarHBondContact OE2-CE 3.39Å; E647-K656 IonicContact OE2-NZ 3.26Å; E647-K656 PolarHBondContact OE2-NZ 3.16Å; V654-K656 HydrophobicContact CG1-CG 4.05Å; K656-V658 HydrophobicContact CB-CG2 4.4Å
657	L	82.4	Confident	79.3	Confident	45 Å²	45	55.8 Å²	55.8	24%	0.236	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.2	168.9	-78.4	168.8	0	0	0	108.7	L460 E598 M602 L605 V644	L460-L657 WeakPolarHBondContact CD2-O 3.36Å; E598-L657 HydrophobicContact CB-CD1 3.93Å; E598-L657 HydrophobicContact CG-CD1 3.63Å; M602-L657 HydrophobicContact CG-CD1 3.87Å; M602-L657 HydrophobicContact SD-CD1 3.49Å; M602-L657 WeakPolarHBondContact SD-CD1 3.42Å; M602-L657 HydrophobicContact SD-CG 3.94Å; L605-L657 HydrophobicContact CD1-CD2 3.68Å; L605-L657 HydrophobicContact CD1-CG 4.19Å; V644-L657 HydrophobicContact CG2-CD2 3.95Å
658	V	78.3	Confident	79	Confident	23 Å²	23	59.5 Å²	59.5	14%	0.139	29%	0.294	C	S	.	.			trans	-128.2	153.6	-177.6	-171.4	0	0	0	0	108	L460 G643 R645 K656 R660 E662 L663	L460-V658 HydrophobicContact CD1-CG2 3.7Å; G643-V658 CarbonylContact C-O 3.53Å; G643-V658 VanDerWaalsContact CA-O 3.31Å; G643-V658 WeakPolarHBondContact CA-O 3.4Å; G643-V658 PolarHBondContact O-N 3.33Å; R645-V658 HydrophobicContact CB-CG2 4.44Å; K656-V658 HydrophobicContact CB-CG2 4.4Å; V658-R660 PolarHBondContact O-N 3.49Å; V658-E662 HydrophobicContact CG1-CB 4.49Å; V658-L663 HydrophobicContact CB-CD1 4.05Å; V658-L663 HydrophobicContact CB-CD2 3.82Å; V658-L663 HydrophobicContact CB-CG 3.78Å; V658-L663 HydrophobicContact CG1-CD2 3.69Å; V658-L663 HydrophobicContact CG1-CG 3.82Å; V658-L663 HydrophobicContact CG2-CD2 4.18Å
659	D	76.2	Confident	78.5	Confident	95 Å²	95	60.6 Å²	60.6	51%	0.508	30%	0.298	S	S	.	.			trans	-58.9	131.4	172.4	-174.4	-91.9	0	0	0	110.2	D661 E662 L663	D659-D661 VanDerWaalsContact C-N 3.31Å; D659-D661 PolarHBondContact O-N 2.89Å; D659-D661 WeakPolarHBondContact OD1-CB 3.36Å; D659-D661 PolarHBondContact OD1-N 2.83Å; D659-E662 HydrophobicContact CB-CB 4.02Å; D659-E662 WeakPolarHBondContact O-CB 3.39Å; D659-E662 PolarHBondContact O-N 3.22Å; D659-E662 PolarHBondContact OD1-N 3.26Å; D659-L663 PolarHBondContact O-N 2.92Å
660	R	80	Confident	78.4	Confident	142 Å²	142	64.5 Å²	64.5	54%	0.536	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-43.1	-176.7	177.1	-174.7	173.7	-163.1	-3.4	111.1	D641 V658 E662 L663 L664	D641-R660 VanDerWaalsContact O-CD 3.29Å; D641-R660 WeakPolarHBondContact O-CD 3.5Å; D641-R660 PolarHBondContact O-NE 2.81Å; V658-R660 PolarHBondContact O-N 3.49Å; R660-E662 VanDerWaalsContact C-N 3.29Å; R660-E662 PolarHBondContact O-N 2.62Å; R660-L663 PolarHBondContact O-N 3.41Å; R660-L664 HydrophobicContact CG-CD1 3.99Å; R660-L664 HydrophobicContact CG-CG 4.38Å; R660-L664 VanDerWaalsContact O-CG 3.3Å; R660-L664 WeakPolarHBondContact O-CG 3.44Å; R660-L664 PolarHBondContact O-N 3.06Å
661	D	76	Confident	78.9	Confident	95 Å²	95	62.3 Å²	62.3	51%	0.508	31%	0.31	S	S	.	.	H	α-helix	trans	-69.9	-32.4	-176.9	-62.3	-24.4	0	0	0	110.7	D659 K665	D659-D661 VanDerWaalsContact C-N 3.31Å; D659-D661 PolarHBondContact O-N 2.89Å; D659-D661 WeakPolarHBondContact OD1-CB 3.36Å; D659-D661 PolarHBondContact OD1-N 2.83Å; D661-K665 WeakPolarHBondContact O-CB 3.16Å; D661-K665 WeakPolarHBondContact O-CG 3.26Å; D661-K665 PolarHBondContact O-N 2.89Å
662	E	74.2	Confident	79.5	Confident	60 Å²	60	65.3 Å²	65.3	28%	0.28	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-49.5	171.8	-171	170.9	-169.1	0	0	111.4	V658 D659 R660 L664 K665 E666	V658-E662 HydrophobicContact CG1-CB 4.49Å; D659-E662 HydrophobicContact CB-CB 4.02Å; D659-E662 WeakPolarHBondContact O-CB 3.39Å; D659-E662 PolarHBondContact O-N 3.22Å; D659-E662 PolarHBondContact OD1-N 3.26Å; R660-E662 VanDerWaalsContact C-N 3.29Å; R660-E662 PolarHBondContact O-N 2.62Å; E662-L664 VanDerWaalsContact C-N 3.35Å; E662-L664 PolarHBondContact O-N 3.05Å; E662-K665 PolarHBondContact O-N 3.25Å; E662-E666 WeakPolarHBondContact O-CG 3.49Å; E662-E666 PolarHBondContact O-N 3.24Å
663	L	77.7	Confident	79.4	Confident	6 Å²	6	67.6 Å²	67.6	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-42.7	177.2	-71.9	-169.3	0	0	0	112.9	V640 V658 D659 R660 E666 R667	V640-L663 HydrophobicContact CG1-CB 3.95Å; V640-L663 HydrophobicContact CG1-CD1 4.18Å; V658-L663 HydrophobicContact CB-CD1 4.05Å; V658-L663 HydrophobicContact CB-CD2 3.82Å; V658-L663 HydrophobicContact CB-CG 3.78Å; V658-L663 HydrophobicContact CG1-CD2 3.69Å; V658-L663 HydrophobicContact CG1-CG 3.82Å; V658-L663 HydrophobicContact CG2-CD2 4.18Å; D659-L663 PolarHBondContact O-N 2.92Å; R660-L663 PolarHBondContact O-N 3.41Å; L663-E666 PolarHBondContact O-N 3.45Å; L663-R667 WeakPolarHBondContact O-CB 3.25Å; L663-R667 PolarHBondContact O-N 3.47Å
664	L	79.2	Confident	79	Confident	41 Å²	41	72.4 Å²	72.4	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-44.1	177.7	-70.3	176.1	0	0	0	111.2	R660 E662 E666 R667 E668	R660-L664 HydrophobicContact CG-CD1 3.99Å; R660-L664 HydrophobicContact CG-CG 4.38Å; R660-L664 VanDerWaalsContact O-CG 3.3Å; R660-L664 WeakPolarHBondContact O-CG 3.44Å; R660-L664 PolarHBondContact O-N 3.06Å; E662-L664 VanDerWaalsContact C-N 3.35Å; E662-L664 PolarHBondContact O-N 3.05Å; L664-E666 VanDerWaalsContact C-N 3.33Å; L664-E666 PolarHBondContact O-N 3.4Å; L664-R667 WeakPolarHBondContact O-CB 3.43Å; L664-R667 PolarHBondContact O-N 3.41Å; L664-E668 WeakPolarHBondContact O-CG 3.29Å; L664-E668 PolarHBondContact O-N 3.18Å
665	K	78	Confident	78.9	Confident	127 Å²	127	76.6 Å²	76.6	55%	0.552	35%	0.352	S	S	*	.	H	α-helix	trans	-61.9	-39.6	174.4	-76.2	172	-175.1	175.5	0	112.2	D661 E662 R667 E668 Q669	D661-K665 WeakPolarHBondContact O-CB 3.16Å; D661-K665 WeakPolarHBondContact O-CG 3.26Å; D661-K665 PolarHBondContact O-N 2.89Å; E662-K665 PolarHBondContact O-N 3.25Å; K665-R667 VanDerWaalsContact C-N 3.35Å; K665-E668 PolarHBondContact O-N 2.86Å; K665-Q669 VanDerWaalsContact O-CB 3.27Å; K665-Q669 WeakPolarHBondContact O-CB 3.41Å; K665-Q669 WeakPolarHBondContact O-CG 3.43Å; K665-Q669 PolarHBondContact O-N 3.2Å
666	E	75	Confident	78.7	Confident	41 Å²	41	81.4 Å²	81.4	19%	0.192	38%	0.375	C	S	.	.	H	α-helix	trans	-64.5	-40.4	175.4	-71.4	-165.7	147.7	0	0	111.8	R453 R645 E662 L663 L664 Q669 K670	R453-E666 IonicContact CZ-OE1 3.24Å; R453-E666 IonicContact NE-OE1 2.73Å; R453-E666 PolarHBondContact NE-OE1 2.67Å; R453-E666 IonicContact NH2-OE1 2.59Å; R645-E666 IonicContact CZ-OE2 2.66Å; R645-E666 IonicContact NH2-OE2 3.72Å; R645-E666 PolarHBondContact NH2-OE2 3.45Å; E662-E666 WeakPolarHBondContact O-CG 3.49Å; E662-E666 PolarHBondContact O-N 3.24Å; L663-E666 PolarHBondContact O-N 3.45Å; L664-E666 VanDerWaalsContact C-N 3.33Å; L664-E666 PolarHBondContact O-N 3.4Å; E666-Q669 PolarHBondContact O-N 2.95Å; E666-K670 VanDerWaalsContact O-CB 3.31Å; E666-K670 WeakPolarHBondContact O-CB 3.42Å; E666-K670 PolarHBondContact O-N 2.83Å
667	R	77.8	Confident	78.6	Confident	90 Å²	90	88.5 Å²	88.5	34%	0.34	41%	0.406	S	S	.	.	H	α-helix	trans	-62	-48.6	173.8	-173.1	-179.6	-177.2	-179.2	3.4	111.2	D641 L663 L664 K665 K670 I671	D641-R667 IonicContact OD1-NH1 3.24Å; D641-R667 PolarHBondContact OD1-NH1 2.81Å; L663-R667 WeakPolarHBondContact O-CB 3.25Å; L663-R667 PolarHBondContact O-N 3.47Å; L664-R667 WeakPolarHBondContact O-CB 3.43Å; L664-R667 PolarHBondContact O-N 3.41Å; K665-R667 VanDerWaalsContact C-N 3.35Å; R667-K670 PolarHBondContact O-N 3.28Å; R667-I671 HydrophobicContact CG-CD1 4.09Å; R667-I671 VanDerWaalsContact O-CG1 3.29Å; R667-I671 WeakPolarHBondContact O-CG1 3.41Å; R667-I671 PolarHBondContact O-N 3Å
668	E	79.4	Confident	78.7	Confident	130 Å²	130	92.6 Å²	92.6	61%	0.607	42%	0.418	S	S	*	.	H	α-helix	trans	-61.4	-43.9	176.5	-73.7	176.5	179.9	0	0	112.1	L664 K665 K670 I671 R672	L664-E668 WeakPolarHBondContact O-CG 3.29Å; L664-E668 PolarHBondContact O-N 3.18Å; K665-E668 PolarHBondContact O-N 2.86Å; E668-K670 VanDerWaalsContact C-N 3.34Å; E668-K670 PolarHBondContact O-N 2.89Å; E668-I671 PolarHBondContact O-N 3.44Å; E668-R672 VanDerWaalsContact O-CB 3.3Å; E668-R672 WeakPolarHBondContact O-CB 3.28Å; E668-R672 PolarHBondContact O-N 2.89Å
669	Q	75.2	Confident	79.1	Confident	66 Å²	66	95.8 Å²	95.8	31%	0.308	43%	0.434	S	S	.	.	H	α-helix	trans	-62.2	-42.2	175.7	-77.8	177.5	7.9	0	0	111.5	K665 E666 R672 L673	K665-Q669 VanDerWaalsContact O-CB 3.27Å; K665-Q669 WeakPolarHBondContact O-CB 3.41Å; K665-Q669 WeakPolarHBondContact O-CG 3.43Å; K665-Q669 PolarHBondContact O-N 3.2Å; E666-Q669 PolarHBondContact O-N 2.95Å; Q669-R672 PolarHBondContact O-N 3.16Å; Q669-L673 WeakPolarHBondContact O-CB 3.12Å; Q669-L673 VanDerWaalsContact O-CG 3.22Å; Q669-L673 WeakPolarHBondContact O-CG 3.28Å; Q669-L673 PolarHBondContact O-N 3.08Å
670	K	78	Confident	79.4	Confident	131 Å²	131	100.1 Å²	100.1	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-62.8	-47.3	177.1	-173.4	-179.1	175.7	-172	0	110.9	E666 R667 E668 R672 L673 E674	E666-K670 VanDerWaalsContact O-CB 3.31Å; E666-K670 WeakPolarHBondContact O-CB 3.42Å; E666-K670 PolarHBondContact O-N 2.83Å; R667-K670 PolarHBondContact O-N 3.28Å; E668-K670 VanDerWaalsContact C-N 3.34Å; E668-K670 PolarHBondContact O-N 2.89Å; K670-R672 PolarHBondContact O-N 3.4Å; K670-L673 PolarHBondContact O-N 2.99Å; K670-E674 WeakPolarHBondContact CE-OE1 3.37Å; K670-E674 WeakPolarHBondContact O-CB 3.36Å; K670-E674 WeakPolarHBondContact O-CG 3.34Å; K670-E674 PolarHBondContact O-N 3.21Å
671	I	81.1	Confident	79.6	Confident	91 Å²	91	101.1 Å²	101.1	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-58.6	-47.5	175.2	-68.1	165.9	0	0	0	110.4	R667 E668 L673 E674 E675	R667-I671 HydrophobicContact CG-CD1 4.09Å; R667-I671 VanDerWaalsContact O-CG1 3.29Å; R667-I671 WeakPolarHBondContact O-CG1 3.41Å; R667-I671 PolarHBondContact O-N 3Å; E668-I671 PolarHBondContact O-N 3.44Å; I671-L673 PolarHBondContact O-N 2.97Å; I671-E674 PolarHBondContact O-N 3.41Å; I671-E675 WeakPolarHBondContact O-CB 3.04Å; I671-E675 PolarHBondContact O-N 3.18Å
672	R	79.7	Confident	80	Confident	139 Å²	139	101.4 Å²	101.4	53%	0.525	45%	0.45	S	S	.	.	H	α-helix	trans	-61.4	-43.9	178.5	-172	-179.6	69.8	-158.9	-0.8	112.1	E668 Q669 K670 E675 E676	E668-R672 VanDerWaalsContact O-CB 3.3Å; E668-R672 WeakPolarHBondContact O-CB 3.28Å; E668-R672 PolarHBondContact O-N 2.89Å; Q669-R672 PolarHBondContact O-N 3.16Å; K670-R672 PolarHBondContact O-N 3.4Å; R672-E675 PolarHBondContact O-N 3.47Å; R672-E676 WeakPolarHBondContact O-CB 3.49Å; R672-E676 WeakPolarHBondContact O-CG 3.48Å; R672-E676 PolarHBondContact O-N 3.26Å
673	L	76.3	Confident	80.5	Confident	86 Å²	86	105.9 Å²	105.9	45%	0.45	47%	0.468	S	S	.	.	H	α-helix	trans	-66.9	-37.9	177.8	-75	168.5	0	0	0	112.1	Q669 K670 I671 K677	Q669-L673 WeakPolarHBondContact O-CB 3.12Å; Q669-L673 VanDerWaalsContact O-CG 3.22Å; Q669-L673 WeakPolarHBondContact O-CG 3.28Å; Q669-L673 PolarHBondContact O-N 3.08Å; K670-L673 PolarHBondContact O-N 2.99Å; I671-L673 PolarHBondContact O-N 2.97Å; L673-K677 VanDerWaalsContact O-CB 3.31Å; L673-K677 WeakPolarHBondContact O-CB 3.48Å; L673-K677 WeakPolarHBondContact O-CG 3.4Å; L673-K677 PolarHBondContact O-N 2.83Å
674	E	78.5	Confident	80.7	Confident	107 Å²	107	111 Å²	111	50%	0.5	50%	0.495	S	S	.	.	H	α-helix	trans	-66.7	-41.6	174.6	-75.4	173.1	-177.3	0	0	111.3	K670 I671 K677 R678	K670-E674 WeakPolarHBondContact CE-OE1 3.37Å; K670-E674 WeakPolarHBondContact O-CB 3.36Å; K670-E674 WeakPolarHBondContact O-CG 3.34Å; K670-E674 PolarHBondContact O-N 3.21Å; I671-E674 PolarHBondContact O-N 3.41Å; E674-K677 PolarHBondContact O-N 3.07Å; E674-R678 WeakPolarHBondContact O-CB 3.41Å; E674-R678 PolarHBondContact O-N 2.92Å
675	E	83.2	Confident	81	Confident	88 Å²	88	111.8 Å²	111.8	41%	0.411	51%	0.508	S	S	.	.	H	α-helix	trans	-66.2	-44.5	174.1	179.4	161.1	-139.1	0	0	112.3	I671 R672 K677 R678 L679	I671-E675 WeakPolarHBondContact O-CB 3.04Å; I671-E675 PolarHBondContact O-N 3.18Å; R672-E675 PolarHBondContact O-N 3.47Å; E675-K677 VanDerWaalsContact C-N 3.33Å; E675-K677 PolarHBondContact O-N 2.95Å; E675-R678 CarbonylContact O-C 3.41Å; E675-R678 WeakPolarHBondContact O-CB 3.3Å; E675-R678 PolarHBondContact O-N 3.14Å; E675-R678 VanDerWaalsContact O-N 3.15Å; E675-R678 IonicContact OE1-NH2 3.97Å; E675-R678 PolarHBondContact OE1-NH2 3.07Å; E675-L679 HydrophobicContact CG-CD1 3.94Å; E675-L679 HydrophobicContact CG-CG 4.27Å; E675-L679 WeakPolarHBondContact O-CB 3.34Å; E675-L679 WeakPolarHBondContact O-CG 3.4Å; E675-L679 PolarHBondContact O-N 3.26Å
676	E	82.5	Confident	81.2	Confident	104 Å²	104	109.3 Å²	109.3	49%	0.486	51%	0.506	S	S	.	.	H	α-helix	trans	-60.8	-41.3	173.8	-78.8	177.2	-172.1	0	0	111.5	R672 R680	R672-E676 WeakPolarHBondContact O-CB 3.49Å; R672-E676 WeakPolarHBondContact O-CG 3.48Å; R672-E676 PolarHBondContact O-N 3.26Å; E676-R680 WeakPolarHBondContact O-CB 3.38Å; E676-R680 PolarHBondContact O-N 3.3Å
677	K	82.3	Confident	81.5	Confident	151 Å²	151	110.8 Å²	110.8	66%	0.657	52%	0.518	S	S	*	.	H	α-helix	trans	-63.7	-41.6	173.2	-78.1	173.6	-177.4	176.8	0	111.3	L673 E674 E675 K681	L673-K677 VanDerWaalsContact O-CB 3.31Å; L673-K677 WeakPolarHBondContact O-CB 3.48Å; L673-K677 WeakPolarHBondContact O-CG 3.4Å; L673-K677 PolarHBondContact O-N 2.83Å; E674-K677 PolarHBondContact O-N 3.07Å; E675-K677 VanDerWaalsContact C-N 3.33Å; E675-K677 PolarHBondContact O-N 2.95Å; K677-K681 VanDerWaalsContact O-CB 3.29Å; K677-K681 WeakPolarHBondContact O-CB 3.36Å; K677-K681 PolarHBondContact O-N 3.21Å
678	R	84.3	Confident	81.6	Confident	131 Å²	131	109.2 Å²	109.2	49%	0.494	52%	0.524	S	S	.	.	H	α-helix	trans	-62.2	-53.2	175.5	-175.6	-176.4	68.3	-160	-3.9	110.7	E674 E675 R680 K681 E682	E674-R678 WeakPolarHBondContact O-CB 3.41Å; E674-R678 PolarHBondContact O-N 2.92Å; E675-R678 CarbonylContact O-C 3.41Å; E675-R678 WeakPolarHBondContact O-CB 3.3Å; E675-R678 PolarHBondContact O-N 3.14Å; E675-R678 VanDerWaalsContact O-N 3.15Å; E675-R678 IonicContact OE1-NH2 3.97Å; E675-R678 PolarHBondContact OE1-NH2 3.07Å; R678-R680 VanDerWaalsContact C-N 3.33Å; R678-R680 PolarHBondContact O-N 2.88Å; R678-K681 CarbonylContact O-C 3.43Å; R678-K681 WeakPolarHBondContact O-CA 3.18Å; R678-K681 WeakPolarHBondContact O-CB 3.36Å; R678-K681 PolarHBondContact O-N 2.66Å; R678-K681 VanDerWaalsContact O-N 3.09Å; R678-E682 HydrophobicContact CG-CG 4.46Å; R678-E682 WeakPolarHBondContact CG-OE1 3.34Å; R678-E682 IonicContact NE-OE1 2.77Å; R678-E682 WeakPolarHBondContact O-CB 3.43Å; R678-E682 WeakPolarHBondContact O-CG 3.26Å; R678-E682 PolarHBondContact O-N 3.42Å
679	L	86.3	Confident	81.7	Confident	90 Å²	90	106.2 Å²	106.2	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-60.1	-40	177.7	-72.1	171.6	0	0	0	111.9	E675 E682 K683	E675-L679 HydrophobicContact CG-CD1 3.94Å; E675-L679 HydrophobicContact CG-CG 4.27Å; E675-L679 WeakPolarHBondContact O-CB 3.34Å; E675-L679 WeakPolarHBondContact O-CG 3.4Å; E675-L679 PolarHBondContact O-N 3.26Å; L679-E682 PolarHBondContact O-N 3.45Å; L679-K683 WeakPolarHBondContact O-CB 3.47Å; L679-K683 PolarHBondContact O-N 3.45Å
680	R	82.5	Confident	82	Confident	187 Å²	187	105.8 Å²	105.8	71%	0.706	52%	0.518	S	S	*	.	H	α-helix	trans	-65.2	-41.9	174.5	-174.1	176.5	178.4	-179	-0.8	111.2	E676 R678 L684	E676-R680 WeakPolarHBondContact O-CB 3.38Å; E676-R680 PolarHBondContact O-N 3.3Å; R678-R680 VanDerWaalsContact C-N 3.33Å; R678-R680 PolarHBondContact O-N 2.88Å; R680-L684 HydrophobicContact CG-CD1 4.04Å; R680-L684 VanDerWaalsContact O-CB 3.3Å; R680-L684 WeakPolarHBondContact O-CB 3.39Å; R680-L684 WeakPolarHBondContact O-CD1 3.31Å; R680-L684 WeakPolarHBondContact O-CG 3.43Å; R680-L684 PolarHBondContact O-N 2.81Å
681	K	83.8	Confident	81.9	Confident	162 Å²	162	106 Å²	106	70%	0.704	52%	0.518	S	S	*	.	H	α-helix	trans	-65.1	-42.8	175.8	-171.1	179.9	179.1	-176.1	0	111.4	K677 R678 L684 A685	K677-K681 VanDerWaalsContact O-CB 3.29Å; K677-K681 WeakPolarHBondContact O-CB 3.36Å; K677-K681 PolarHBondContact O-N 3.21Å; R678-K681 CarbonylContact O-C 3.43Å; R678-K681 WeakPolarHBondContact O-CA 3.18Å; R678-K681 WeakPolarHBondContact O-CB 3.36Å; R678-K681 PolarHBondContact O-N 2.66Å; R678-K681 VanDerWaalsContact O-N 3.09Å; K681-L684 PolarHBondContact O-N 3.49Å; K681-A685 VanDerWaalsContact O-CB 3.28Å; K681-A685 WeakPolarHBondContact O-CB 3.25Å; K681-A685 PolarHBondContact O-N 3.17Å
682	E	86.1	Confident	81.7	Confident	102 Å²	102	108.8 Å²	108.8	48%	0.477	52%	0.523	S	S	.	.	H	α-helix	trans	-65.4	-43.6	175.1	-74.5	172.2	-177.7	0	0	112	R678 L679 A685 S686	R678-E682 HydrophobicContact CG-CG 4.46Å; R678-E682 WeakPolarHBondContact CG-OE1 3.34Å; R678-E682 IonicContact NE-OE1 2.77Å; R678-E682 WeakPolarHBondContact O-CB 3.43Å; R678-E682 WeakPolarHBondContact O-CG 3.26Å; R678-E682 PolarHBondContact O-N 3.42Å; L679-E682 PolarHBondContact O-N 3.45Å; E682-A685 PolarHBondContact O-N 3.03Å; E682-S686 VanDerWaalsContact O-CB 3.27Å; E682-S686 WeakPolarHBondContact O-CB 3.4Å; E682-S686 PolarHBondContact O-N 3.3Å
683	K	83.9	Confident	81.6	Confident	154 Å²	154	107.9 Å²	107.9	67%	0.67	52%	0.523	S	S	*	.	H	α-helix	trans	-63.8	-43.2	175.4	-172.7	174.9	-178.3	176	0	111.3	L679 S686 V687	L679-K683 WeakPolarHBondContact O-CB 3.47Å; L679-K683 PolarHBondContact O-N 3.45Å; K683-S686 PolarHBondContact O-N 2.88Å; K683-V687 WeakPolarHBondContact O-CB 3.22Å; K683-V687 VanDerWaalsContact O-CG2 3.26Å; K683-V687 WeakPolarHBondContact O-CG2 3.3Å; K683-V687 PolarHBondContact O-N 2.54Å
684	L	82.1	Confident	81.4	Confident	112 Å²	112	109.3 Å²	109.3	59%	0.586	53%	0.528	S	S	*	.	H	α-helix	trans	-62.8	-41.8	173.8	-75.6	165.8	0	0	0	111.4	R680 K681 A688	R680-L684 HydrophobicContact CG-CD1 4.04Å; R680-L684 VanDerWaalsContact O-CB 3.3Å; R680-L684 WeakPolarHBondContact O-CB 3.39Å; R680-L684 WeakPolarHBondContact O-CD1 3.31Å; R680-L684 WeakPolarHBondContact O-CG 3.43Å; R680-L684 PolarHBondContact O-N 2.81Å; K681-L684 PolarHBondContact O-N 3.49Å; L684-A688 VanDerWaalsContact O-CB 3.3Å; L684-A688 WeakPolarHBondContact O-CB 3.48Å; L684-A688 PolarHBondContact O-N 3.07Å
685	A	84.5	Confident	81.1	Confident	59 Å²	59	111.3 Å²	111.3	49%	0.488	53%	0.534	S	S	.	.	H	α-helix	trans	-65.7	-41.9	176	0	0	0	0	0	112.4	K681 E682 A688 E689	K681-A685 VanDerWaalsContact O-CB 3.28Å; K681-A685 WeakPolarHBondContact O-CB 3.25Å; K681-A685 PolarHBondContact O-N 3.17Å; E682-A685 PolarHBondContact O-N 3.03Å; A685-A688 PolarHBondContact O-N 3.06Å; A685-E689 WeakPolarHBondContact O-CB 3.24Å; A685-E689 PolarHBondContact O-N 3Å
686	S	82.1	Confident	80.6	Confident	75 Å²	75	111.2 Å²	111.2	52%	0.524	53%	0.534	S	S	.	.	H	α-helix	trans	-62	-47	175.1	161.7	0	0	0	0	112	E682 K683 A688 E689 A690	E682-S686 VanDerWaalsContact O-CB 3.27Å; E682-S686 WeakPolarHBondContact O-CB 3.4Å; E682-S686 PolarHBondContact O-N 3.3Å; K683-S686 PolarHBondContact O-N 2.88Å; S686-A688 VanDerWaalsContact C-N 3.31Å; S686-A688 PolarHBondContact O-N 2.89Å; S686-E689 PolarHBondContact O-N 3.43Å; S686-A690 WeakPolarHBondContact O-CB 3.29Å; S686-A690 PolarHBondContact O-N 2.97Å
687	V	81.3	Confident	80.1	Confident	71 Å²	71	111.3 Å²	111.3	43%	0.43	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-38.6	175.6	171.3	0	0	0	0	111	K683 K691	K683-V687 WeakPolarHBondContact O-CB 3.22Å; K683-V687 VanDerWaalsContact O-CG2 3.26Å; K683-V687 WeakPolarHBondContact O-CG2 3.3Å; K683-V687 PolarHBondContact O-N 2.54Å; V687-K691 WeakPolarHBondContact O-CB 3.41Å; V687-K691 WeakPolarHBondContact O-CG 3.49Å; V687-K691 PolarHBondContact O-N 3.26Å
688	A	80.6	Confident	79.3	Confident	58 Å²	58	109.7 Å²	109.7	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-65.8	-42.9	175.2	0	0	0	0	0	112.2	L684 A685 S686 K691 R692	L684-A688 VanDerWaalsContact O-CB 3.3Å; L684-A688 WeakPolarHBondContact O-CB 3.48Å; L684-A688 PolarHBondContact O-N 3.07Å; A685-A688 PolarHBondContact O-N 3.06Å; S686-A688 VanDerWaalsContact C-N 3.31Å; S686-A688 PolarHBondContact O-N 2.89Å; A688-K691 PolarHBondContact O-N 2.81Å; A688-R692 PolarHBondContact O-N 2.82Å
689	E	82.6	Confident	78.3	Confident	67 Å²	67	109.5 Å²	109.5	31%	0.313	53%	0.532	S	S	.	.	H	α-helix	trans	-66.5	-41.6	177.1	-174.2	61.8	-157.2	0	0	111.9	A685 S686 R692 K693	A685-E689 WeakPolarHBondContact O-CB 3.24Å; A685-E689 PolarHBondContact O-N 3Å; S686-E689 PolarHBondContact O-N 3.43Å; E689-R692 VanDerWaalsContact CD-NH2 3.27Å; E689-R692 WeakPolarHBondContact O-CB 3.39Å; E689-R692 PolarHBondContact O-N 2.88Å; E689-R692 VanDerWaalsContact O-N 3.16Å; E689-R692 IonicContact OE1-CZ 2.79Å; E689-R692 IonicContact OE1-NE 3.17Å; E689-R692 IonicContact OE1-NH2 3.16Å; E689-R692 PolarHBondContact OE1-NH2 2.89Å; E689-R692 IonicContact OE2-CZ 3.73Å; E689-R692 IonicContact OE2-NE 3.37Å; E689-R692 PolarHBondContact OE2-NE 2.82Å; E689-R692 IonicContact OE2-NH1 3.59Å; E689-R692 IonicContact OE2-NH2 2.64Å; E689-R692 PolarHBondContact OE2-NH2 2.8Å; E689-K693 PolarHBondContact O-N 3.36Å
690	A	80.2	Confident	77.4	Confident	56 Å²	56	113.7 Å²	113.7	46%	0.463	54%	0.542	S	S	.	.	H	α-helix	trans	-60.8	-45.9	175.1	0	0	0	0	0	111.4	S686 R692 K693 E694	S686-A690 WeakPolarHBondContact O-CB 3.29Å; S686-A690 PolarHBondContact O-N 2.97Å; A690-R692 VanDerWaalsContact C-N 3.3Å; A690-R692 PolarHBondContact O-N 3.36Å; A690-K693 PolarHBondContact O-N 3.03Å; A690-E694 WeakPolarHBondContact O-CB 3.49Å; A690-E694 PolarHBondContact O-N 2.9Å
691	K	76.5	Confident	76.3	Confident	135 Å²	135	107 Å²	107	59%	0.587	52%	0.52	S	S	*	.	H	α-helix	trans	-61.7	-35.7	173.5	-78.2	-177.3	176.4	-176.9	0	112.6	V687 A688 K695	V687-K691 WeakPolarHBondContact O-CB 3.41Å; V687-K691 WeakPolarHBondContact O-CG 3.49Å; V687-K691 PolarHBondContact O-N 3.26Å; A688-K691 PolarHBondContact O-N 2.81Å; K691-K695 WeakPolarHBondContact O-CG 3.35Å; K691-K695 PolarHBondContact O-N 3.37Å; K691-K695 VanDerWaalsContact O-N 3.1Å
692	R	76.6	Confident	75.3	Confident	151 Å²	151	102.1 Å²	102.1	57%	0.57	50%	0.504	S	S	*	.	H	α-helix	trans	-67	-47.4	176.6	-166.2	178.8	72.5	172.7	1.1	111.4	A688 E689 A690 E694 K695 E696	A688-R692 PolarHBondContact O-N 2.82Å; E689-R692 VanDerWaalsContact CD-NH2 3.27Å; E689-R692 WeakPolarHBondContact O-CB 3.39Å; E689-R692 PolarHBondContact O-N 2.88Å; E689-R692 VanDerWaalsContact O-N 3.16Å; E689-R692 IonicContact OE1-CZ 2.79Å; E689-R692 IonicContact OE1-NE 3.17Å; E689-R692 IonicContact OE1-NH2 3.16Å; E689-R692 PolarHBondContact OE1-NH2 2.89Å; E689-R692 IonicContact OE2-CZ 3.73Å; E689-R692 IonicContact OE2-NE 3.37Å; E689-R692 PolarHBondContact OE2-NE 2.82Å; E689-R692 IonicContact OE2-NH1 3.59Å; E689-R692 IonicContact OE2-NH2 2.64Å; E689-R692 PolarHBondContact OE2-NH2 2.8Å; A690-R692 VanDerWaalsContact C-N 3.3Å; A690-R692 PolarHBondContact O-N 3.36Å; R692-E694 VanDerWaalsContact C-N 3.34Å; R692-E694 PolarHBondContact O-N 2.86Å; R692-K695 PolarHBondContact O-N 3.18Å; R692-E696 PolarHBondContact O-N 3.09Å
693	K	77.6	Confident	74	Confident	120 Å²	120	99.3 Å²	99.3	52%	0.522	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-38.4	176	-74	-178.5	178.9	179.1	0	112.6	E689 A690 E696 N697	E689-K693 PolarHBondContact O-N 3.36Å; A690-K693 PolarHBondContact O-N 3.03Å; K693-E696 PolarHBondContact O-N 3.36Å; K693-N697 WeakPolarHBondContact O-CB 3.24Å; K693-N697 PolarHBondContact O-N 3.46Å
694	E	73	Confident	73.1	Confident	116 Å²	116	96.8 Å²	96.8	54%	0.542	49%	0.489	S	S	.	.	H	α-helix	trans	-63.5	-45.6	175.7	-169.9	176.2	-177.2	0	0	111.6	A690 R692 E696 N697 Q698	A690-E694 WeakPolarHBondContact O-CB 3.49Å; A690-E694 PolarHBondContact O-N 2.9Å; R692-E694 VanDerWaalsContact C-N 3.34Å; R692-E694 PolarHBondContact O-N 2.86Å; E694-E696 PolarHBondContact O-N 3.16Å; E694-N697 PolarHBondContact O-N 2.88Å; E694-Q698 WeakPolarHBondContact O-CG 3.25Å; E694-Q698 PolarHBondContact O-N 3.4Å
695	K	70.9	Confident	72.6	Confident	148 Å²	148	95.5 Å²	95.5	64%	0.643	48%	0.48	S	S	*	.	H	α-helix	trans	-61.7	-40.5	173.2	-77.5	-175.3	175.2	-171.1	0	112.7	K691 R692 Q698 R699	K691-K695 WeakPolarHBondContact O-CG 3.35Å; K691-K695 PolarHBondContact O-N 3.37Å; K691-K695 VanDerWaalsContact O-N 3.1Å; R692-K695 PolarHBondContact O-N 3.18Å; K695-Q698 PolarHBondContact O-N 2.99Å; K695-R699 WeakPolarHBondContact O-CG 3.2Å; K695-R699 PolarHBondContact O-N 2.9Å
696	E	73.5	Confident	71.9	Confident	87 Å²	87	95.3 Å²	95.3	41%	0.407	47%	0.47	S	S	.	.	H	α-helix	trans	-67.1	-40.3	178.3	-159.8	-175.2	157.7	0	0	111.9	R692 K693 E694 R699 R700	R692-E696 PolarHBondContact O-N 3.09Å; K693-E696 PolarHBondContact O-N 3.36Å; E694-E696 PolarHBondContact O-N 3.16Å; E696-R699 PolarHBondContact O-N 3.35Å; E696-R700 WeakPolarHBondContact O-CG 3.39Å; E696-R700 PolarHBondContact O-N 3.36Å; E696-R700 IonicContact OE1-CZ 3.73Å; E696-R700 IonicContact OE1-NE 3.84Å; E696-R700 IonicContact OE1-NH2 2.82Å; E696-R700 PolarHBondContact OE1-NH2 3.39Å
697	N	72.3	Confident	71.5	Confident	106 Å²	106	91.8 Å²	91.8	57%	0.567	45%	0.445	S	S	*	.	H	α-helix	trans	-64.5	-38.4	173.5	-77.5	-20	0	0	0	112.1	K693 E694 R700	K693-N697 WeakPolarHBondContact O-CB 3.24Å; K693-N697 PolarHBondContact O-N 3.46Å; E694-N697 PolarHBondContact O-N 2.88Å; N697-R700 PolarHBondContact O-N 3.48Å
698	Q	63.9	Low	71.1	Confident	117 Å²	117	92 Å²	92	55%	0.547	44%	0.443	S	S	.	.	H	α-helix	trans	-64.8	-38.3	173.6	-72.5	175.2	17.2	0	0	111.9	E694 K695 R700 L701	E694-Q698 WeakPolarHBondContact O-CG 3.25Å; E694-Q698 PolarHBondContact O-N 3.4Å; K695-Q698 PolarHBondContact O-N 2.99Å; Q698-R700 VanDerWaalsContact C-N 3.27Å; Q698-R700 PolarHBondContact O-N 2.84Å; Q698-L701 PolarHBondContact O-N 2.66Å
699	R	64.8	Low	70.7	Confident	126 Å²	126	97.4 Å²	97.4	48%	0.475	45%	0.451	S	S	.	.	H	α-helix	trans	-66.1	-22.6	176.4	-77.8	178.9	167.9	-168	-6.2	114.1	K695 E696	K695-R699 WeakPolarHBondContact O-CG 3.2Å; K695-R699 PolarHBondContact O-N 2.9Å; E696-R699 PolarHBondContact O-N 3.35Å
700	R	66.4	Low	70.3	Confident	179 Å²	179	95.6 Å²	95.6	68%	0.675	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.4	180	-69.8	-179.7	-171.7	-155.9	4.9	114.2	E696 N697 Q698	E696-R700 WeakPolarHBondContact O-CG 3.39Å; E696-R700 PolarHBondContact O-N 3.36Å; E696-R700 IonicContact OE1-CZ 3.73Å; E696-R700 IonicContact OE1-NE 3.84Å; E696-R700 IonicContact OE1-NH2 2.82Å; E696-R700 PolarHBondContact OE1-NH2 3.39Å; N697-R700 PolarHBondContact O-N 3.48Å; Q698-R700 VanDerWaalsContact C-N 3.27Å; Q698-R700 PolarHBondContact O-N 2.84Å
701	L	60.2	Low	69.9	Low	46 Å²	46	100.4 Å²	100.4	24%	0.241	45%	0.453	C	S	.	.	S	Bend	trans	-78.9	125.9	-178.8	-79.5	159.2	0	0	0	110.4	Q698	Q698-L701 PolarHBondContact O-N 2.66Å
702	P	62.9	Low	69.9	Low	59 Å²	59	99 Å²	99	38%	0.383	45%	0.452	S	S	.	.			trans	-54	140.7	171.7	-21.6	30.7	0	0	0	110.1	N704 E705 M706	P702-N704 PolarHBondContact O-N 3.12Å; P702-E705 HydrophobicContact CB-CG 4.44Å; P702-E705 HydrophobicContact CG-CG 4.49Å; P702-E705 PolarHBondContact O-N 2.98Å; P702-M706 PolarHBondContact O-N 3.18Å
703	P	58.8	Low	69.9	Low	43 Å²	43	96.3 Å²	96.3	28%	0.279	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.9	-177.4	-24.8	30.8	0	0	0	113.4	E705 K744 M748	P703-E705 PolarHBondContact O-N 2.57Å; P703-K744 WeakPolarHBondContact O-CE 3.22Å; P703-M748 HydrophobicContact CB-CG 4.02Å; P703-M748 HydrophobicContact CB-SD 4.42Å; P703-M748 HydrophobicContact CG-CE 4.46Å; P703-M748 HydrophobicContact CG-CG 3.55Å; P703-M748 HydrophobicContact CG-SD 3.38Å; P703-M748 WeakPolarHBondContact CG-SD 3.44Å
704	N	65.3	Low	70.1	Confident	101 Å²	101	92.3 Å²	92.3	54%	0.54	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.7	-179.5	-53	-16	0	0	0	112.4	P702 L708 K744	P702-N704 PolarHBondContact O-N 3.12Å; N704-L708 VanDerWaalsContact O-CD1 3.29Å; N704-L708 WeakPolarHBondContact O-CD1 3.23Å; N704-K744 PolarHBondContact OD1-NZ 3Å
705	E	70.8	Confident	70.6	Confident	86 Å²	86	89.8 Å²	89.8	40%	0.402	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-9.5	-179.5	-62.7	-173.6	-174	0	0	114	P702 P703 F707 L708 R709	P702-E705 HydrophobicContact CB-CG 4.44Å; P702-E705 HydrophobicContact CG-CG 4.49Å; P702-E705 PolarHBondContact O-N 2.98Å; P703-E705 PolarHBondContact O-N 2.57Å; E705-F707 PolarHBondContact O-N 2.71Å; E705-L708 PolarHBondContact O-N 3.21Å; E705-L708 VanDerWaalsContact O-N 3.14Å; E705-R709 PolarHBondContact O-N 3.46Å
706	M	69.5	Low	71.2	Confident	55 Å²	55	84.3 Å²	84.3	27%	0.271	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-48.2	-173.7	-172.8	-174.3	173.5	0	0	112.4	P702	P702-M706 PolarHBondContact O-N 3.18Å
707	F	73	Confident	71.7	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-25.1	178.3	-62.7	-70.1	0	0	0	113.2	E705 R709 E710 Y714 F717 G721 P723 T740 K744	E705-F707 PolarHBondContact O-N 2.71Å; F707-R709 PolarHBondContact O-N 2.9Å; F707-R709 VanDerWaalsContact O-N 3.08Å; F707-E710 PolarHBondContact O-N 2.96Å; F707-Y714 HydrophobicContact CD1-CE2 4.12Å; F707-F717 VanDerWaalsContact C-CE1 3.48Å; F707-F717 HydrophobicContact CB-CD1 4.15Å; F707-F717 HydrophobicContact CB-CE1 3.88Å; F707-F717 WeakPolarHBondContact O-CE1 3.39Å; F707-F717 VanDerWaalsContact O-CZ 3.3Å; F707-F717 WeakPolarHBondContact O-CZ 3.2Å; F707-G721 WeakPolarHBondContact CB-O 3.37Å; F707-P723 HydrophobicContact CB-CG 3.76Å; F707-P723 HydrophobicContact CD1-CG 3.88Å; F707-P723 HydrophobicContact CG-CG 3.83Å; F707-T740 HydrophobicContact CD1-CG2 4.34Å; F707-T740 HydrophobicContact CE1-CG2 3.64Å; F707-T740 HydrophobicContact CZ-CG2 3.88Å; F707-T740 WeakPolarHBondContact CZ-O 3.31Å; F707-K744 HydrophobicContact CE2-CB 3.93Å; F707-K744 HydrophobicContact CE2-CD 4.39Å; F707-K744 HydrophobicContact CE2-CG 3.99Å
708	L	73.9	Confident	72.1	Confident	75 Å²	75	80 Å²	80	39%	0.393	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19	179.8	-74.4	166.8	0	0	0	112.8	N704 E705 F717	N704-L708 VanDerWaalsContact O-CD1 3.29Å; N704-L708 WeakPolarHBondContact O-CD1 3.23Å; E705-L708 PolarHBondContact O-N 3.21Å; E705-L708 VanDerWaalsContact O-N 3.14Å; L708-F717 HydrophobicContact CD2-CB 4.12Å; L708-F717 HydrophobicContact CD2-CD1 4.32Å; L708-F717 HydrophobicContact CD2-CD2 3.7Å; L708-F717 HydrophobicContact CD2-CE2 4.2Å; L708-F717 HydrophobicContact CD2-CG 3.77Å
709	R	71.1	Confident	72.9	Confident	173 Å²	173	86.7 Å²	86.7	65%	0.653	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.9	174.4	-67.5	-164.1	179	-157.5	3.4	114.8	E705 F707 K711	E705-R709 PolarHBondContact O-N 3.46Å; F707-R709 PolarHBondContact O-N 2.9Å; F707-R709 VanDerWaalsContact O-N 3.08Å; R709-K711 PolarHBondContact O-N 2.76Å
710	E	74.4	Confident	73.2	Confident	29 Å²	29	85.3 Å²	85.3	14%	0.136	40%	0.4	C	S	.	.			trans	-79.7	52.5	176.1	-62.9	-164.1	124.3	0	0	111	F707 D712 K713 Y714	F707-E710 PolarHBondContact O-N 2.96Å; E710-D712 VanDerWaalsContact C-OD1 3.28Å; E710-D712 WeakPolarHBondContact CA-OD1 3.28Å; E710-D712 PolarHBondContact O-N 2.81Å; E710-K713 HydrophobicContact CB-CB 4.35Å; E710-K713 HydrophobicContact CB-CD 4.39Å; E710-K713 PolarHBondContact O-N 3.35Å; E710-K713 IonicContact OE1-NZ 2.72Å; E710-K713 PolarHBondContact OE1-NZ 2.86Å; E710-Y714 HydrophobicContact CB-CD2 3.96Å; E710-Y714 HydrophobicContact CB-CE2 4.19Å; E710-Y714 PolarHBondContact O-N 3.03Å; E710-Y714 WeakPolarHBondContact OE2-CE2 3.4Å
711	K	71.8	Confident	73.6	Confident	157 Å²	157	77 Å²	77	68%	0.683	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.2	-179.9	-67.8	-171.4	177.5	-176.1	0	113.2	R709	R709-K711 PolarHBondContact O-N 2.76Å
712	D	77.4	Confident	74.5	Confident	106 Å²	106	75.1 Å²	75.1	57%	0.567	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.3	169.5	60.8	-46.3	0	0	0	112.8	E710 F727	E710-D712 VanDerWaalsContact C-OD1 3.28Å; E710-D712 WeakPolarHBondContact CA-OD1 3.28Å; E710-D712 PolarHBondContact O-N 2.81Å; D712-F727 VanDerWaalsContact O-CD2 3.27Å; D712-F727 WeakPolarHBondContact O-CD2 3.47Å
713	K	76	Confident	75.3	Confident	93 Å²	93	72.3 Å²	72.3	40%	0.404	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-25.7	-176.6	-62	176.4	-164.9	163.8	0	114.1	E710 D726 F727	E710-K713 HydrophobicContact CB-CB 4.35Å; E710-K713 HydrophobicContact CB-CD 4.39Å; E710-K713 PolarHBondContact O-N 3.35Å; E710-K713 IonicContact OE1-NZ 2.72Å; E710-K713 PolarHBondContact OE1-NZ 2.86Å; K713-D726 CarbonylContact O-C 3.59Å; K713-F727 PolarHBondContact O-N 2.74Å
714	Y	81.9	Confident	76.4	Confident	36 Å²	36	71.3 Å²	71.3	14%	0.141	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.3	-173.8	-51.3	-70.3	0	0	0	112	F707 E710 F717 P723 H725 I732	F707-Y714 HydrophobicContact CD1-CE2 4.12Å; E710-Y714 HydrophobicContact CB-CD2 3.96Å; E710-Y714 HydrophobicContact CB-CE2 4.19Å; E710-Y714 PolarHBondContact O-N 3.03Å; E710-Y714 WeakPolarHBondContact OE2-CE2 3.4Å; Y714-F717 HydrophobicContact CD2-CE1 4.39Å; Y714-F717 HydrophobicContact CG-CE1 4.41Å; Y714-P723 HydrophobicContact CD1-CB 3.3Å; Y714-P723 HydrophobicContact CD1-CG 3.72Å; Y714-P723 HydrophobicContact CD2-CB 3.98Å; Y714-P723 HydrophobicContact CD2-CG 3.47Å; Y714-P723 VanDerWaalsContact CD2-CG 3.47Å; Y714-P723 HydrophobicContact CE1-CB 3.73Å; Y714-P723 HydrophobicContact CE1-CG 3.89Å; Y714-P723 HydrophobicContact CE2-CB 4.35Å; Y714-P723 HydrophobicContact CE2-CG 3.66Å; Y714-P723 HydrophobicContact CG-CB 3.43Å; Y714-P723 VanDerWaalsContact CG-CB 3.43Å; Y714-P723 HydrophobicContact CG-CG 3.49Å; Y714-P723 VanDerWaalsContact CG-CG 3.49Å; Y714-H725 WeakPolarHBondContact CA-O 3.47Å; Y714-H725 WeakPolarHBondContact CB-O 3.42Å; Y714-I732 HydrophobicContact CD1-CD1 4.03Å; Y714-I732 HydrophobicContact CE1-CD1 4.14Å
715	S	84.3	Confident	77.3	Confident	64 Å²	64	69.1 Å²	69.1	45%	0.448	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-26.5	-177.2	56	0	0	0	0	114	H725 D726	S715-H725 PolarHBondContact N-O 2.88Å; S715-H725 VanDerWaalsContact OG-CB 3.27Å; S715-H725 WeakPolarHBondContact OG-CB 3.32Å; S715-D726 VanDerWaalsContact CB-O 3.24Å; S715-D726 WeakPolarHBondContact CB-O 3.37Å; S715-D726 PolarHBondContact N-O 2.64Å; S715-D726 PolarHBondContact OG-O 3.09Å
716	A	83	Confident	77.9	Confident	32 Å²	32	66.5 Å²	66.5	26%	0.264	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.9	-178.8	0	0	0	0	0	112.2	P723 T724 H725	A716-P723 CarbonylContact O-C 3.33Å; A716-P723 WeakPolarHBondContact O-CA 3.06Å; A716-T724 VanDerWaalsContact C-OG1 3.26Å; A716-T724 WeakPolarHBondContact CB-OG1 3.41Å; A716-T724 PolarHBondContact O-N 3.15Å; A716-T724 PolarHBondContact O-OG1 2.98Å; A716-H725 HydrophobicContact CB-CB 4.04Å; A716-H725 PolarHBondContact O-N 3.46Å
717	F	83.4	Confident	78.4	Confident	52 Å²	52	70.1 Å²	70.1	23%	0.228	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.8	-173.2	-51.8	-93.2	0	0	0	111.1	F707 L708 Y714 I722 P723 T724	F707-F717 VanDerWaalsContact C-CE1 3.48Å; F707-F717 HydrophobicContact CB-CD1 4.15Å; F707-F717 HydrophobicContact CB-CE1 3.88Å; F707-F717 WeakPolarHBondContact O-CE1 3.39Å; F707-F717 VanDerWaalsContact O-CZ 3.3Å; F707-F717 WeakPolarHBondContact O-CZ 3.2Å; L708-F717 HydrophobicContact CD2-CB 4.12Å; L708-F717 HydrophobicContact CD2-CD1 4.32Å; L708-F717 HydrophobicContact CD2-CD2 3.7Å; L708-F717 HydrophobicContact CD2-CE2 4.2Å; L708-F717 HydrophobicContact CD2-CG 3.77Å; Y714-F717 HydrophobicContact CD2-CE1 4.39Å; Y714-F717 HydrophobicContact CG-CE1 4.41Å; F717-I722 CarbonylContact C-O 3.43Å; F717-I722 VanDerWaalsContact CA-O 3.26Å; F717-I722 WeakPolarHBondContact CA-O 3.47Å; F717-P723 HydrophobicContact CD1-CB 4.28Å; F717-P723 HydrophobicContact CD1-CG 4.01Å; F717-P723 HydrophobicContact CE1-CB 4.33Å; F717-P723 HydrophobicContact CE1-CG 3.91Å; F717-T724 PolarHBondContact N-OG1 2.99Å
718	D	81.7	Confident	78.8	Confident	52 Å²	52	76 Å²	76	28%	0.278	36%	0.357	S	S	.	.			trans	-78.5	177.2	173.4	70.6	15.8	0	0	0	112.2	Q720 G721 I722 T724	D718-Q720 PolarHBondContact O-N 3.47Å; D718-Q720 VanDerWaalsContact OD1-C 3.31Å; D718-Q720 VanDerWaalsContact OD1-CA 3.31Å; D718-Q720 WeakPolarHBondContact OD1-CA 3.35Å; D718-Q720 WeakPolarHBondContact OD1-CB 3.29Å; D718-Q720 PolarHBondContact OD1-N 3.39Å; D718-G721 PolarHBondContact O-N 3.1Å; D718-G721 PolarHBondContact OD1-N 2.92Å; D718-I722 PolarHBondContact N-O 3.2Å; D718-I722 PolarHBondContact OD1-N 2.94Å; D718-I722 WeakPolarHBondContact OD2-CB 3.44Å; D718-T724 HydrophobicContact CB-CG2 3.9Å
719	R	79.7	Confident	79	Confident	256 Å²	256	74.3 Å²	74.3	97%	0.966	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-16	177.9	-74.1	-175.4	179.1	175.5	0.2	114
720	Q	72	Confident	79.4	Confident	98 Å²	98	72.3 Å²	72.3	46%	0.458	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	5.6	175.2	-63	108.9	33.4	0	0	112.3	D718 I722 K744	D718-Q720 PolarHBondContact O-N 3.47Å; D718-Q720 VanDerWaalsContact OD1-C 3.31Å; D718-Q720 VanDerWaalsContact OD1-CA 3.31Å; D718-Q720 WeakPolarHBondContact OD1-CA 3.35Å; D718-Q720 WeakPolarHBondContact OD1-CB 3.29Å; D718-Q720 PolarHBondContact OD1-N 3.39Å; Q720-I722 VanDerWaalsContact C-N 3.35Å; Q720-I722 HydrophobicContact CB-CD1 4.19Å; Q720-K744 PolarHBondContact O-NZ 2.8Å
721	G	75.1	Confident	79.9	Confident	5 Å²	5	77.2 Å²	77.2	5%	0.052	38%	0.378	C	S	.	.	S	Bend	trans	76.6	17	-178.9	0	0	0	0	0	113.9	F707 D718	F707-G721 WeakPolarHBondContact CB-O 3.37Å; D718-G721 PolarHBondContact O-N 3.1Å; D718-G721 PolarHBondContact OD1-N 2.92Å
722	I	78.7	Confident	80.3	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.026	35%	0.349	C	S	.	.			trans	-87.2	133	175.7	-60.3	154.1	0	0	0	108.6	F717 D718 Q720 T724 R741 K744	F717-I722 CarbonylContact C-O 3.43Å; F717-I722 VanDerWaalsContact CA-O 3.26Å; F717-I722 WeakPolarHBondContact CA-O 3.47Å; D718-I722 PolarHBondContact N-O 3.2Å; D718-I722 PolarHBondContact OD1-N 2.94Å; D718-I722 WeakPolarHBondContact OD2-CB 3.44Å; Q720-I722 VanDerWaalsContact C-N 3.35Å; Q720-I722 HydrophobicContact CB-CD1 4.19Å; I722-T724 PolarHBondContact O-N 3.36Å; I722-R741 HydrophobicContact CD1-CG 3.62Å; I722-R741 HydrophobicContact CG1-CG 4.5Å; I722-K744 HydrophobicContact CG1-CD 4.09Å
723	P	79.7	Confident	80.5	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	133.9	177.1	-27.4	34.8	0	0	0	112.7	F707 Y714 A716 F717 I732 T740	F707-P723 HydrophobicContact CB-CG 3.76Å; F707-P723 HydrophobicContact CD1-CG 3.88Å; F707-P723 HydrophobicContact CG-CG 3.83Å; Y714-P723 HydrophobicContact CD1-CB 3.3Å; Y714-P723 HydrophobicContact CD1-CG 3.72Å; Y714-P723 HydrophobicContact CD2-CB 3.98Å; Y714-P723 HydrophobicContact CD2-CG 3.47Å; Y714-P723 VanDerWaalsContact CD2-CG 3.47Å; Y714-P723 HydrophobicContact CE1-CB 3.73Å; Y714-P723 HydrophobicContact CE1-CG 3.89Å; Y714-P723 HydrophobicContact CE2-CB 4.35Å; Y714-P723 HydrophobicContact CE2-CG 3.66Å; Y714-P723 HydrophobicContact CG-CB 3.43Å; Y714-P723 VanDerWaalsContact CG-CB 3.43Å; Y714-P723 HydrophobicContact CG-CG 3.49Å; Y714-P723 VanDerWaalsContact CG-CG 3.49Å; A716-P723 CarbonylContact O-C 3.33Å; A716-P723 WeakPolarHBondContact O-CA 3.06Å; F717-P723 HydrophobicContact CD1-CB 4.28Å; F717-P723 HydrophobicContact CD1-CG 4.01Å; F717-P723 HydrophobicContact CE1-CB 4.33Å; F717-P723 HydrophobicContact CE1-CG 3.91Å; P723-I732 HydrophobicContact CB-CD1 3.38Å; P723-I732 WeakPolarHBondContact O-CD1 3.46Å; P723-T740 HydrophobicContact CG-CG2 4.42Å
724	T	81.7	Confident	80.5	Confident	22 Å²	22	72.3 Å²	72.3	14%	0.135	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-25.8	172.9	57.1	0	0	0	0	113	A716 F717 D718 I722 E731 I732	A716-T724 VanDerWaalsContact C-OG1 3.26Å; A716-T724 WeakPolarHBondContact CB-OG1 3.41Å; A716-T724 PolarHBondContact O-N 3.15Å; A716-T724 PolarHBondContact O-OG1 2.98Å; F717-T724 PolarHBondContact N-OG1 2.99Å; D718-T724 HydrophobicContact CB-CG2 3.9Å; I722-T724 PolarHBondContact O-N 3.36Å; T724-E731 VanDerWaalsContact O-CG 3.32Å; T724-E731 WeakPolarHBondContact O-CG 3.47Å; T724-I732 WeakPolarHBondContact O-CG1 3.21Å; T724-I732 PolarHBondContact O-N 3.43Å
725	H	84.9	Confident	80.3	Confident	55 Å²	55	75.3 Å²	75.3	26%	0.255	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.5	177.9	-63.5	73.1	0	0	0	110.6	Y714 S715 A716 G729 E730	Y714-H725 WeakPolarHBondContact CA-O 3.47Å; Y714-H725 WeakPolarHBondContact CB-O 3.42Å; S715-H725 PolarHBondContact N-O 2.88Å; S715-H725 VanDerWaalsContact OG-CB 3.27Å; S715-H725 WeakPolarHBondContact OG-CB 3.32Å; A716-H725 HydrophobicContact CB-CB 4.04Å; A716-H725 PolarHBondContact O-N 3.46Å; H725-G729 PolarHBondContact CD2-O 2.83Å; H725-G729 VanDerWaalsContact CD2-O 3.24Å; H725-E730 CarbonylContact C-O 3.48Å; H725-E730 WeakPolarHBondContact CA-O 3.43Å
726	D	81.9	Confident	80	Confident	32 Å²	32	78 Å²	78	17%	0.171	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-175.6	174.7	70.8	13.2	0	0	0	112.7	K713 S715 N728 G729 E730 I732	K713-D726 CarbonylContact O-C 3.59Å; S715-D726 VanDerWaalsContact CB-O 3.24Å; S715-D726 WeakPolarHBondContact CB-O 3.37Å; S715-D726 PolarHBondContact N-O 2.64Å; S715-D726 PolarHBondContact OG-O 3.09Å; D726-N728 PolarHBondContact O-N 3.33Å; D726-N728 WeakPolarHBondContact OD1-CA 3.46Å; D726-N728 PolarHBondContact OD1-N 3.02Å; D726-G729 PolarHBondContact O-N 2.76Å; D726-G729 VanDerWaalsContact O-N 3.12Å; D726-G729 PolarHBondContact OD1-N 3.13Å; D726-G729 VanDerWaalsContact OD1-N 3.16Å; D726-E730 PolarHBondContact N-O 2.95Å; D726-E730 PolarHBondContact OD1-N 3.4Å; D726-I732 HydrophobicContact CB-CG2 4.41Å
727	F	81.6	Confident	79.6	Confident	130 Å²	130	78.8 Å²	78.8	57%	0.57	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.6	179.7	177.5	-101.6	0	0	0	113.1	D712 K713 G729	D712-F727 VanDerWaalsContact O-CD2 3.27Å; D712-F727 WeakPolarHBondContact O-CD2 3.47Å; K713-F727 PolarHBondContact O-N 2.74Å; F727-G729 VanDerWaalsContact C-N 3.28Å; F727-G729 PolarHBondContact O-N 3.15Å
728	N	80.6	Confident	79.1	Confident	124 Å²	124	82.3 Å²	82.3	66%	0.663	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.7	-179.2	-66.7	-12.8	0	0	0	112.8	D726	D726-N728 PolarHBondContact O-N 3.33Å; D726-N728 WeakPolarHBondContact OD1-CA 3.46Å; D726-N728 PolarHBondContact OD1-N 3.02Å
729	G	77.7	Confident	78.8	Confident	40 Å²	40	87.6 Å²	87.6	41%	0.412	43%	0.425	S	S	.	.	S	Bend	trans	82.3	14.4	-176.6	0	0	0	0	0	113.6	H725 D726 F727	H725-G729 PolarHBondContact CD2-O 2.83Å; H725-G729 VanDerWaalsContact CD2-O 3.24Å; D726-G729 PolarHBondContact O-N 2.76Å; D726-G729 VanDerWaalsContact O-N 3.12Å; D726-G729 PolarHBondContact OD1-N 3.13Å; D726-G729 VanDerWaalsContact OD1-N 3.16Å; F727-G729 VanDerWaalsContact C-N 3.28Å; F727-G729 PolarHBondContact O-N 3.15Å
730	E	81.1	Confident	78.4	Confident	131 Å²	131	75.9 Å²	75.9	61%	0.612	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-86.4	139.8	174.3	-64.8	-173.2	167.7	0	0	110.7	H725 D726 I732	H725-E730 CarbonylContact C-O 3.48Å; H725-E730 WeakPolarHBondContact CA-O 3.43Å; D726-E730 PolarHBondContact N-O 2.95Å; D726-E730 PolarHBondContact OD1-N 3.4Å; E730-I732 PolarHBondContact O-N 3.06Å
731	E	83.1	Confident	78.4	Confident	131 Å²	131	77.2 Å²	77.2	61%	0.612	38%	0.383	S	S	*	.	B	Isolated β-bridge	trans	-68.3	125.8	-178.1	-152.3	-174.2	177.8	0	0	110.7	T724 T733 K737	T724-E731 VanDerWaalsContact O-CG 3.32Å; T724-E731 WeakPolarHBondContact O-CG 3.47Å; E731-T733 PolarHBondContact O-N 3.22Å; E731-K737 IonicContact OE1-NZ 3.3Å; E731-K737 PolarHBondContact OE1-NZ 2.84Å
732	I	80.6	Confident	78.1	Confident	11 Å²	11	84.1 Å²	84.1	6%	0.056	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-73.1	131.6	-176	12.4	-177.6	0	0	0	110.6	Y714 P723 T724 D726 E730 K736	Y714-I732 HydrophobicContact CD1-CD1 4.03Å; Y714-I732 HydrophobicContact CE1-CD1 4.14Å; P723-I732 HydrophobicContact CB-CD1 3.38Å; P723-I732 WeakPolarHBondContact O-CD1 3.46Å; T724-I732 WeakPolarHBondContact O-CG1 3.21Å; T724-I732 PolarHBondContact O-N 3.43Å; D726-I732 HydrophobicContact CB-CG2 4.41Å; E730-I732 PolarHBondContact O-N 3.06Å; I732-K736 HydrophobicContact CB-CB 4.2Å; I732-K736 HydrophobicContact CG2-CB 3.99Å; I732-K736 HydrophobicContact CG2-CD 3.46Å; I732-K736 VanDerWaalsContact CG2-CD 3.46Å; I732-K736 HydrophobicContact CG2-CG 4.35Å
733	T	81.1	Confident	77.6	Confident	86 Å²	86	89.2 Å²	89.2	53%	0.528	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-50.9	146.3	179.2	53.7	0	0	0	0	112.4	E731 T735 K736 K737	E731-T733 PolarHBondContact O-N 3.22Å; T733-T735 PolarHBondContact O-N 2.97Å; T733-T735 VanDerWaalsContact O-N 3.09Å; T733-K736 CarbonylContact O-C 3.56Å; T733-K736 WeakPolarHBondContact O-CA 3.48Å; T733-K736 WeakPolarHBondContact O-CB 3.47Å; T733-K736 PolarHBondContact O-N 2.92Å; T733-K737 PolarHBondContact O-N 2.99Å
734	M	77.7	Confident	76.9	Confident	156 Å²	156	90.2 Å²	90.2	77%	0.768	44%	0.435	S	S	*	.	H	α-helix	trans	-50.2	-37.5	178.2	-88.5	-81.4	-81.1	0	0	113	K737 Q738	M734-K737 PolarHBondContact O-N 3.44Å; M734-Q738 WeakPolarHBondContact O-CB 3.38Å; M734-Q738 PolarHBondContact O-N 3.03Å
735	T	77.3	Confident	76	Confident	100 Å²	100	95 Å²	95	61%	0.613	45%	0.454	S	S	*	.	H	α-helix	trans	-65.1	-40.6	173.9	22.6	0	0	0	0	113	T733 K739	T733-T735 PolarHBondContact O-N 2.97Å; T733-T735 VanDerWaalsContact O-N 3.09Å; T735-K739 PolarHBondContact O-N 3.36Å
736	K	76.5	Confident	74.7	Confident	119 Å²	119	99.3 Å²	99.3	52%	0.517	47%	0.472	S	S	.	.	H	α-helix	trans	-65.8	-49.2	172	-107.5	-175.9	-179.9	177.1	0	110.5	I732 T733 Q738 K739 T740	I732-K736 HydrophobicContact CB-CB 4.2Å; I732-K736 HydrophobicContact CG2-CB 3.99Å; I732-K736 HydrophobicContact CG2-CD 3.46Å; I732-K736 VanDerWaalsContact CG2-CD 3.46Å; I732-K736 HydrophobicContact CG2-CG 4.35Å; T733-K736 CarbonylContact O-C 3.56Å; T733-K736 WeakPolarHBondContact O-CA 3.48Å; T733-K736 WeakPolarHBondContact O-CB 3.47Å; T733-K736 PolarHBondContact O-N 2.92Å; K736-Q738 VanDerWaalsContact C-N 3.28Å; K736-Q738 PolarHBondContact O-N 3.47Å; K736-K739 WeakPolarHBondContact O-CB 3.2Å; K736-K739 PolarHBondContact O-N 2.98Å; K736-T740 PolarHBondContact O-N 3.41Å; K736-T740 PolarHBondContact O-OG1 2.86Å
737	K	75.3	Confident	73.6	Confident	50 Å²	50	100.1 Å²	100.1	22%	0.217	48%	0.476	C	S	.	.	H	α-helix	trans	-51.7	-44.8	175.1	-100.9	174.1	-178.7	163.8	0	111.8	E731 T733 M734 T740 R741	E731-K737 IonicContact OE1-NZ 3.3Å; E731-K737 PolarHBondContact OE1-NZ 2.84Å; T733-K737 PolarHBondContact O-N 2.99Å; M734-K737 PolarHBondContact O-N 3.44Å; K737-T740 WeakPolarHBondContact CA-OG1 2.91Å; K737-T740 PolarHBondContact O-N 2.79Å; K737-T740 PolarHBondContact O-OG1 2.91Å; K737-R741 WeakPolarHBondContact O-CB 3.46Å; K737-R741 PolarHBondContact O-N 2.86Å
738	Q	74.2	Confident	72.2	Confident	126 Å²	126	97.2 Å²	97.2	59%	0.589	47%	0.465	S	S	*	.	H	α-helix	trans	-72.3	-33.1	179.9	-155.2	170.5	21.7	0	0	112.7	M734 K736 K742	M734-Q738 WeakPolarHBondContact O-CB 3.38Å; M734-Q738 PolarHBondContact O-N 3.03Å; K736-Q738 VanDerWaalsContact C-N 3.28Å; K736-Q738 PolarHBondContact O-N 3.47Å; Q738-K742 WeakPolarHBondContact O-CB 3.43Å; Q738-K742 PolarHBondContact O-N 3.46Å
739	K	75.5	Confident	71	Confident	162 Å²	162	96.5 Å²	96.5	70%	0.704	46%	0.461	S	S	*	.	H	α-helix	trans	-67.1	-43.9	170.7	-84	-176.6	176.7	179.8	0	112.1	T735 K736 R741 K742 R743	T735-K739 PolarHBondContact O-N 3.36Å; K736-K739 WeakPolarHBondContact O-CB 3.2Å; K736-K739 PolarHBondContact O-N 2.98Å; K739-R741 VanDerWaalsContact C-N 3.34Å; K739-K742 PolarHBondContact O-N 3.04Å; K739-R743 WeakPolarHBondContact O-CB 3.43Å; K739-R743 PolarHBondContact O-N 2.75Å
740	T	71.3	Confident	70.1	Confident	11 Å²	11	98.4 Å²	98.4	7%	0.067	46%	0.46	C	S	.	.	H	α-helix	trans	-64.5	-39.1	174.4	19.2	0	0	0	0	111.4	F707 P723 K736 K737 R743 K744	F707-T740 HydrophobicContact CD1-CG2 4.34Å; F707-T740 HydrophobicContact CE1-CG2 3.64Å; F707-T740 HydrophobicContact CZ-CG2 3.88Å; F707-T740 WeakPolarHBondContact CZ-O 3.31Å; P723-T740 HydrophobicContact CG-CG2 4.42Å; K736-T740 PolarHBondContact O-N 3.41Å; K736-T740 PolarHBondContact O-OG1 2.86Å; K737-T740 WeakPolarHBondContact CA-OG1 2.91Å; K737-T740 PolarHBondContact O-N 2.79Å; K737-T740 PolarHBondContact O-OG1 2.91Å; T740-R743 WeakPolarHBondContact O-CB 3.34Å; T740-R743 PolarHBondContact O-N 3.11Å; T740-K744 PolarHBondContact O-N 3.48Å
741	R	71.1	Confident	68.9	Low	125 Å²	125	94.7 Å²	94.7	47%	0.472	44%	0.444	S	S	.	.	H	α-helix	trans	-60.9	-48.7	172.6	-133.9	173.3	-171.1	-164.8	1.7	111.9	I722 K737 K739 R743 K744 F745	I722-R741 HydrophobicContact CD1-CG 3.62Å; I722-R741 HydrophobicContact CG1-CG 4.5Å; K737-R741 WeakPolarHBondContact O-CB 3.46Å; K737-R741 PolarHBondContact O-N 2.86Å; K739-R741 VanDerWaalsContact C-N 3.34Å; R741-R743 VanDerWaalsContact C-N 3.27Å; R741-R743 PolarHBondContact O-N 3.44Å; R741-K744 WeakPolarHBondContact O-CB 3.37Å; R741-K744 PolarHBondContact O-N 3.3Å; R741-K744 VanDerWaalsContact O-N 3.15Å; R741-F745 HydrophobicContact CG-CE2 4.29Å; R741-F745 VanDerWaalsContact O-CD2 3.32Å; R741-F745 WeakPolarHBondContact O-CD2 3.06Å; R741-F745 PolarHBondContact O-N 3.44Å; R741-F745 VanDerWaalsContact O-N 3.14Å
742	K	69.3	Low	67.4	Low	150 Å²	150	94.4 Å²	94.4	65%	0.652	44%	0.442	S	S	*	.	H	α-helix	trans	-57.8	-42.6	174.7	-86.3	-174.4	175.3	-176.9	0	110.7	Q738 K739 K744 F745 K746	Q738-K742 WeakPolarHBondContact O-CB 3.43Å; Q738-K742 PolarHBondContact O-N 3.46Å; K739-K742 PolarHBondContact O-N 3.04Å; K742-K744 VanDerWaalsContact C-N 3.34Å; K742-K744 PolarHBondContact O-N 3.38Å; K742-F745 PolarHBondContact O-N 3.05Å; K742-K746 VanDerWaalsContact O-CB 3.25Å; K742-K746 WeakPolarHBondContact O-CB 3.07Å; K742-K746 PolarHBondContact O-N 2.92Å
743	R	68.5	Low	66.3	Low	113 Å²	113	98.9 Å²	98.9	43%	0.426	46%	0.463	S	S	.	.	H	α-helix	trans	-60.7	-41.8	176.6	-160.2	175.2	172.3	-153.3	-6.2	112	K739 T740 R741 F745 D747	K739-R743 WeakPolarHBondContact O-CB 3.43Å; K739-R743 PolarHBondContact O-N 2.75Å; T740-R743 WeakPolarHBondContact O-CB 3.34Å; T740-R743 PolarHBondContact O-N 3.11Å; R741-R743 VanDerWaalsContact C-N 3.27Å; R741-R743 PolarHBondContact O-N 3.44Å; R743-F745 VanDerWaalsContact C-N 3.33Å; R743-F745 PolarHBondContact O-N 3.12Å; R743-D747 WeakPolarHBondContact O-CB 3.26Å; R743-D747 VanDerWaalsContact O-CG 3.23Å; R743-D747 PolarHBondContact O-N 2.83Å
744	K	64.2	Low	65.2	Low	20 Å²	20	97.7 Å²	97.7	9%	0.087	45%	0.451	C	S	.	.	H	α-helix	trans	-57.8	-42	175.3	-152.9	-174.5	179.4	-161.5	0	113.3	P703 N704 F707 Q720 I722 T740 R741 K742	P703-K744 WeakPolarHBondContact O-CE 3.22Å; N704-K744 PolarHBondContact OD1-NZ 3Å; F707-K744 HydrophobicContact CE2-CB 3.93Å; F707-K744 HydrophobicContact CE2-CD 4.39Å; F707-K744 HydrophobicContact CE2-CG 3.99Å; Q720-K744 PolarHBondContact O-NZ 2.8Å; I722-K744 HydrophobicContact CG1-CD 4.09Å; T740-K744 PolarHBondContact O-N 3.48Å; R741-K744 WeakPolarHBondContact O-CB 3.37Å; R741-K744 PolarHBondContact O-N 3.3Å; R741-K744 VanDerWaalsContact O-N 3.15Å; K742-K744 VanDerWaalsContact C-N 3.34Å; K742-K744 PolarHBondContact O-N 3.38Å
745	F	62.5	Low	64.1	Low	122 Å²	122	93.9 Å²	93.9	54%	0.535	43%	0.433	S	S	.	.	H	α-helix	trans	-86.8	-36.2	-178.4	-74.9	-76.6	0	0	0	113	R741 K742 R743 D747 M748 D749	R741-F745 HydrophobicContact CG-CE2 4.29Å; R741-F745 VanDerWaalsContact O-CD2 3.32Å; R741-F745 WeakPolarHBondContact O-CD2 3.06Å; R741-F745 PolarHBondContact O-N 3.44Å; R741-F745 VanDerWaalsContact O-N 3.14Å; K742-F745 PolarHBondContact O-N 3.05Å; R743-F745 VanDerWaalsContact C-N 3.33Å; R743-F745 PolarHBondContact O-N 3.12Å; F745-D747 VanDerWaalsContact C-N 3.28Å; F745-D747 PolarHBondContact O-N 3.3Å; F745-M748 PolarHBondContact O-N 3.49Å; F745-M748 VanDerWaalsContact O-N 3.14Å; F745-D749 PolarHBondContact O-N 2.85Å
746	K	58.2	Low	63	Low	146 Å²	146	93.5 Å²	93.5	64%	0.635	43%	0.427	S	S	*	.	H	α-helix	trans	-60.9	-41.9	176.1	-128.8	-176.6	179.9	-165.2	0	110.5	K742 M748 Q750	K742-K746 VanDerWaalsContact O-CB 3.25Å; K742-K746 WeakPolarHBondContact O-CB 3.07Å; K742-K746 PolarHBondContact O-N 2.92Å; K746-M748 VanDerWaalsContact C-N 3.31Å; K746-M748 PolarHBondContact O-N 2.96Å; K746-Q750 WeakPolarHBondContact O-CA 3.38Å; K746-Q750 WeakPolarHBondContact O-CB 3.34Å; K746-Q750 PolarHBondContact O-N 2.64Å
747	D	57.6	Low	61.9	Low	49 Å²	49	93 Å²	93	26%	0.262	42%	0.423	S	S	.	.	H	α-helix	trans	-71.2	-28.4	179.6	-64.5	-13.7	0	0	0	111.2	R743 F745 I751	R743-D747 WeakPolarHBondContact O-CB 3.26Å; R743-D747 VanDerWaalsContact O-CG 3.23Å; R743-D747 PolarHBondContact O-N 2.83Å; F745-D747 VanDerWaalsContact C-N 3.28Å; F745-D747 PolarHBondContact O-N 3.3Å; D747-I751 WeakPolarHBondContact O-CB 3.13Å; D747-I751 VanDerWaalsContact O-CD1 3.23Å; D747-I751 WeakPolarHBondContact O-CD1 3.49Å; D747-I751 WeakPolarHBondContact O-CG1 3.39Å; D747-I751 PolarHBondContact O-N 3.48Å
748	M	52.3	Low	60.8	Low	70 Å²	70	94.2 Å²	94.2	35%	0.345	43%	0.431	S	S	.	.	H	α-helix	trans	-74.6	-48	175.4	-95.1	-91.2	67.4	0	0	113.1	P703 F745 K746 Q750 I751 H752	P703-M748 HydrophobicContact CB-CG 4.02Å; P703-M748 HydrophobicContact CB-SD 4.42Å; P703-M748 HydrophobicContact CG-CE 4.46Å; P703-M748 HydrophobicContact CG-CG 3.55Å; P703-M748 HydrophobicContact CG-SD 3.38Å; P703-M748 WeakPolarHBondContact CG-SD 3.44Å; F745-M748 PolarHBondContact O-N 3.49Å; F745-M748 VanDerWaalsContact O-N 3.14Å; K746-M748 VanDerWaalsContact C-N 3.31Å; K746-M748 PolarHBondContact O-N 2.96Å; M748-Q750 VanDerWaalsContact C-N 3.31Å; M748-I751 PolarHBondContact O-N 3.05Å; M748-H752 WeakPolarHBondContact O-CB 3.29Å; M748-H752 PolarHBondContact O-N 3.29Å
749	D	56.7	Low	59.6	Low	108 Å²	108	93.1 Å²	93.1	58%	0.578	43%	0.428	S	S	*	.	H	α-helix	trans	-65.7	-40.5	177.1	-69.5	-21.3	0	0	0	110.1	F745 E753	F745-D749 PolarHBondContact O-N 2.85Å; D749-E753 WeakPolarHBondContact O-CB 3.37Å; D749-E753 VanDerWaalsContact O-CG 3.3Å; D749-E753 WeakPolarHBondContact O-CG 3.5Å; D749-E753 PolarHBondContact O-N 2.58Å
750	Q	57.5	Low	58.3	Low	80 Å²	80	90.5 Å²	90.5	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-70.5	-37.3	178.8	-170.4	161.1	3.9	0	0	112	K746 M748 E754	K746-Q750 WeakPolarHBondContact O-CA 3.38Å; K746-Q750 WeakPolarHBondContact O-CB 3.34Å; K746-Q750 PolarHBondContact O-N 2.64Å; M748-Q750 VanDerWaalsContact C-N 3.31Å; Q750-E754 VanDerWaalsContact CG-CD 3.48Å; Q750-E754 HydrophobicContact CG-CG 4Å; Q750-E754 WeakPolarHBondContact CG-OE1 3.34Å; Q750-E754 PolarHBondContact NE2-OE1 2.83Å; Q750-E754 WeakPolarHBondContact O-CA 3.49Å; Q750-E754 WeakPolarHBondContact O-CB 3.28Å; Q750-E754 WeakPolarHBondContact O-CG 3.45Å; Q750-E754 PolarHBondContact O-N 3.07Å
751	I	56.2	Low	57.4	Low	54 Å²	54	94.1 Å²	94.1	28%	0.277	44%	0.438	S	S	.	.	H	α-helix	trans	-72.8	-38.4	175.7	-69.8	166.1	0	0	0	111.4	D747 M748 E754 L755	D747-I751 WeakPolarHBondContact O-CB 3.13Å; D747-I751 VanDerWaalsContact O-CD1 3.23Å; D747-I751 WeakPolarHBondContact O-CD1 3.49Å; D747-I751 WeakPolarHBondContact O-CG1 3.39Å; D747-I751 PolarHBondContact O-N 3.48Å; M748-I751 PolarHBondContact O-N 3.05Å; I751-E754 PolarHBondContact O-N 2.72Å; I751-L755 HydrophobicContact CG2-CD1 3.97Å; I751-L755 VanDerWaalsContact O-CB 3.31Å; I751-L755 WeakPolarHBondContact O-CB 3.36Å; I751-L755 PolarHBondContact O-N 3.4Å
752	H	52.8	Low	56.4	Low	124 Å²	124	95.1 Å²	95.1	57%	0.574	45%	0.451	S	S	*	.	H	α-helix	trans	-71.2	-38.3	177.9	-127	69.6	0	0	0	111.7	M748 N756	M748-H752 WeakPolarHBondContact O-CB 3.29Å; M748-H752 PolarHBondContact O-N 3.29Å; H752-N756 VanDerWaalsContact O-CB 3.32Å; H752-N756 WeakPolarHBondContact O-CB 3.24Å; H752-N756 PolarHBondContact O-N 3.24Å; H752-N756 VanDerWaalsContact O-N 3.14Å; H752-N756 PolarHBondContact O-ND2 3.12Å; H752-N756 VanDerWaalsContact O-ND2 3.16Å
753	E	55.9	Low	55.4	Low	106 Å²	106	96.7 Å²	96.7	50%	0.495	46%	0.457	S	S	.	.	H	α-helix	trans	-72.4	-36.3	171.6	-72.3	-176	159.9	0	0	112.3	D749 R757	D749-E753 WeakPolarHBondContact O-CB 3.37Å; D749-E753 VanDerWaalsContact O-CG 3.3Å; D749-E753 WeakPolarHBondContact O-CG 3.5Å; D749-E753 PolarHBondContact O-N 2.58Å; E753-R757 VanDerWaalsContact CB-CZ 3.49Å; E753-R757 WeakPolarHBondContact O-CA 3.36Å; E753-R757 WeakPolarHBondContact O-CB 3.47Å; E753-R757 WeakPolarHBondContact O-CG 3.37Å; E753-R757 PolarHBondContact O-N 2.85Å; E753-R757 PolarHBondContact O-NE 3.48Å; E753-R757 IonicContact OE2-CZ 3.43Å; E753-R757 IonicContact OE2-NH1 3.31Å; E753-R757 PolarHBondContact OE2-NH1 2.89Å; E753-R757 IonicContact OE2-NH2 3.28Å; E753-R757 PolarHBondContact OE2-NH2 3.2Å
754	E	59.4	Low	54.4	Low	61 Å²	61	97.6 Å²	97.6	29%	0.285	46%	0.461	S	S	.	.	H	α-helix	trans	-73.4	-34.8	176.7	-75.6	175	-177.6	0	0	112.1	Q750 I751 D758	Q750-E754 VanDerWaalsContact CG-CD 3.48Å; Q750-E754 HydrophobicContact CG-CG 4Å; Q750-E754 WeakPolarHBondContact CG-OE1 3.34Å; Q750-E754 PolarHBondContact NE2-OE1 2.83Å; Q750-E754 WeakPolarHBondContact O-CA 3.49Å; Q750-E754 WeakPolarHBondContact O-CB 3.28Å; Q750-E754 WeakPolarHBondContact O-CG 3.45Å; Q750-E754 PolarHBondContact O-N 3.07Å; I751-E754 PolarHBondContact O-N 2.72Å; E754-D758 WeakPolarHBondContact O-CB 3.17Å; E754-D758 PolarHBondContact O-N 3.48Å
755	L	53.6	Low	53.7	Low	75 Å²	75	98.9 Å²	98.9	39%	0.393	48%	0.48	S	S	.	.	H	α-helix	trans	-71.1	-38.8	174.3	-114.9	89.7	0	0	0	111.9	I751 I759	I751-L755 HydrophobicContact CG2-CD1 3.97Å; I751-L755 VanDerWaalsContact O-CB 3.31Å; I751-L755 WeakPolarHBondContact O-CB 3.36Å; I751-L755 PolarHBondContact O-N 3.4Å; L755-I759 WeakPolarHBondContact O-CB 3.31Å; L755-I759 VanDerWaalsContact O-CG1 3.3Å; L755-I759 WeakPolarHBondContact O-CG1 3.43Å; L755-I759 PolarHBondContact O-N 3.16Å; L755-I759 VanDerWaalsContact O-N 3.11Å
756	N	54.3	Low	53.1	Low	92 Å²	92	101.1 Å²	101.1	49%	0.492	50%	0.497	S	S	.	.	H	α-helix	trans	-74.8	-35.2	176.4	-72.6	-31.6	0	0	0	111.4	H752 E760	H752-N756 VanDerWaalsContact O-CB 3.32Å; H752-N756 WeakPolarHBondContact O-CB 3.24Å; H752-N756 PolarHBondContact O-N 3.24Å; H752-N756 VanDerWaalsContact O-N 3.14Å; H752-N756 PolarHBondContact O-ND2 3.12Å; H752-N756 VanDerWaalsContact O-ND2 3.16Å; N756-E760 WeakPolarHBondContact O-CB 3.35Å; N756-E760 PolarHBondContact O-N 3.44Å
757	R	52.6	Low	53.3	Low	110 Å²	110	97.2 Å²	97.2	42%	0.415	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-50.2	169.5	-79.9	-177.3	-73.9	-128.5	1.5	110.9	E753 I759 E760 D761	E753-R757 VanDerWaalsContact CB-CZ 3.49Å; E753-R757 WeakPolarHBondContact O-CA 3.36Å; E753-R757 WeakPolarHBondContact O-CB 3.47Å; E753-R757 WeakPolarHBondContact O-CG 3.37Å; E753-R757 PolarHBondContact O-N 2.85Å; E753-R757 PolarHBondContact O-NE 3.48Å; E753-R757 IonicContact OE2-CZ 3.43Å; E753-R757 IonicContact OE2-NH1 3.31Å; E753-R757 PolarHBondContact OE2-NH1 2.89Å; E753-R757 IonicContact OE2-NH2 3.28Å; E753-R757 PolarHBondContact OE2-NH2 3.2Å; R757-I759 VanDerWaalsContact C-N 3.32Å; R757-I759 PolarHBondContact O-N 2.92Å; R757-E760 PolarHBondContact O-N 3.45Å; R757-D761 WeakPolarHBondContact O-CA 3.41Å; R757-D761 WeakPolarHBondContact O-CB 3.24Å; R757-D761 PolarHBondContact O-N 2.85Å
758	D	54.1	Low	53.8	Low	74 Å²	74	98.3 Å²	98.3	40%	0.396	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-33.4	-178.3	-73.1	-18.1	0	0	0	112.8	E754 I762	E754-D758 WeakPolarHBondContact O-CB 3.17Å; E754-D758 PolarHBondContact O-N 3.48Å; D758-I762 VanDerWaalsContact O-CB 3.25Å; D758-I762 WeakPolarHBondContact O-CB 3.21Å; D758-I762 VanDerWaalsContact O-CD1 3.24Å; D758-I762 WeakPolarHBondContact O-CD1 3.2Å; D758-I762 WeakPolarHBondContact O-CG1 3.46Å; D758-I762 PolarHBondContact O-N 3.02Å; D758-I762 VanDerWaalsContact O-N 3.14Å
759	I	48.6	Very low	54.7	Low	103 Å²	103	103 Å²	103	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-80	-33.3	178.2	-67	172.1	0	0	0	112.2	L755 R757	L755-I759 WeakPolarHBondContact O-CB 3.31Å; L755-I759 VanDerWaalsContact O-CG1 3.3Å; L755-I759 WeakPolarHBondContact O-CG1 3.43Å; L755-I759 PolarHBondContact O-N 3.16Å; L755-I759 VanDerWaalsContact O-N 3.11Å; R757-I759 VanDerWaalsContact C-N 3.32Å; R757-I759 PolarHBondContact O-N 2.92Å
760	E	47.8	Very low	55.6	Low	108 Å²	108	105.2 Å²	105.2	51%	0.505	52%	0.519	S	S	.	.	H	α-helix	trans	-77.9	-39.2	173.2	-72.2	-161.6	176.2	0	0	112.2	N756 R757 K763 R764	N756-E760 WeakPolarHBondContact O-CB 3.35Å; N756-E760 PolarHBondContact O-N 3.44Å; R757-E760 PolarHBondContact O-N 3.45Å; E760-K763 CarbonylContact O-C 3.52Å; E760-K763 PolarHBondContact O-N 2.78Å; E760-R764 WeakPolarHBondContact O-CB 3.18Å; E760-R764 WeakPolarHBondContact O-CG 3.32Å; E760-R764 PolarHBondContact O-N 3.15Å; E760-R764 IonicContact OE2-CZ 3.09Å; E760-R764 IonicContact OE2-NH1 2.66Å; E760-R764 PolarHBondContact OE2-NH1 3.36Å
761	D	52.8	Low	56.6	Low	87 Å²	87	104.3 Å²	104.3	47%	0.465	52%	0.517	S	S	.	.	H	α-helix	trans	-73.8	-30.1	-177.7	-65.8	-21.3	0	0	0	112.3	R757 K763 R764	R757-D761 WeakPolarHBondContact O-CA 3.41Å; R757-D761 WeakPolarHBondContact O-CB 3.24Å; R757-D761 PolarHBondContact O-N 2.85Å; D761-K763 PolarHBondContact O-N 2.97Å; D761-R764 CarbonylContact O-C 3.13Å; D761-R764 PolarHBondContact O-N 2.77Å; D761-R764 VanDerWaalsContact O-N 3.14Å
762	I	49.5	Very low	57.7	Low	146 Å²	146	105 Å²	105	75%	0.749	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.1	171.4	-70.1	170	0	0	0	111.9	D758	D758-I762 VanDerWaalsContact O-CB 3.25Å; D758-I762 WeakPolarHBondContact O-CB 3.21Å; D758-I762 VanDerWaalsContact O-CD1 3.24Å; D758-I762 WeakPolarHBondContact O-CD1 3.2Å; D758-I762 WeakPolarHBondContact O-CG1 3.46Å; D758-I762 PolarHBondContact O-N 3.02Å; D758-I762 VanDerWaalsContact O-N 3.14Å
763	K	49.1	Very low	59	Low	182 Å²	182	100 Å²	100	79%	0.791	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-14.6	170	-75.1	-178.4	177.9	175.2	0	112.9	E760 D761	E760-K763 CarbonylContact O-C 3.52Å; E760-K763 PolarHBondContact O-N 2.78Å; D761-K763 PolarHBondContact O-N 2.97Å
764	R	45.9	Very low	60.1	Low	133 Å²	133	99.4 Å²	99.4	50%	0.502	50%	0.504	S	S	.	.	S	Bend	trans	-113.1	82.2	-175.4	-80.9	-167.3	-179.7	135	4.2	109.7	E760 D761 N766 F767	E760-R764 WeakPolarHBondContact O-CB 3.18Å; E760-R764 WeakPolarHBondContact O-CG 3.32Å; E760-R764 PolarHBondContact O-N 3.15Å; E760-R764 IonicContact OE2-CZ 3.09Å; E760-R764 IonicContact OE2-NH1 2.66Å; E760-R764 PolarHBondContact OE2-NH1 3.36Å; D761-R764 CarbonylContact O-C 3.13Å; D761-R764 PolarHBondContact O-N 2.77Å; D761-R764 VanDerWaalsContact O-N 3.14Å; R764-N766 PolarHBondContact O-N 3.1Å; R764-F767 VanDerWaalsContact C-CD2 3.47Å; R764-F767 VanDerWaalsContact C-CE2 3.42Å; R764-F767 HydrophobicContact CB-CD2 3.57Å; R764-F767 HydrophobicContact CB-CE2 3.34Å; R764-F767 HydrophobicContact CG-CD2 4.26Å; R764-F767 HydrophobicContact CG-CE2 3.69Å; R764-F767 WeakPolarHBondContact O-CD2 3.36Å
765	G	50.2	Low	61	Low	47 Å²	47	97.3 Å²	97.3	49%	0.485	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	123.3	-177.8	0	0	0	0	0	112.4	F767	G765-F767 VanDerWaalsContact C-N 3.3Å; G765-F767 WeakPolarHBondContact O-CD2 3.45Å; G765-F767 VanDerWaalsContact O-CG 3.29Å; G765-F767 WeakPolarHBondContact O-CG 3.39Å; G765-F767 PolarHBondContact O-N 3.41Å
766	N	50	Low	62.3	Low	168 Å²	168	98.1 Å²	98.1	90%	0.898	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	2.8	77.8	174.9	-85.3	1.7	0	0	0	113.6	R764	R764-N766 PolarHBondContact O-N 3.1Å
767	F	62	Low	63.8	Low	65 Å²	65	95.5 Å²	95.5	29%	0.285	49%	0.485	S	S	.	.			trans	-87.2	118.6	174	-71.2	-75.2	0	0	0	107.6	R764 G765 Q774 Q776	R764-F767 VanDerWaalsContact C-CD2 3.47Å; R764-F767 VanDerWaalsContact C-CE2 3.42Å; R764-F767 HydrophobicContact CB-CD2 3.57Å; R764-F767 HydrophobicContact CB-CE2 3.34Å; R764-F767 HydrophobicContact CG-CD2 4.26Å; R764-F767 HydrophobicContact CG-CE2 3.69Å; R764-F767 WeakPolarHBondContact O-CD2 3.36Å; G765-F767 VanDerWaalsContact C-N 3.3Å; G765-F767 WeakPolarHBondContact O-CD2 3.45Å; G765-F767 VanDerWaalsContact O-CG 3.29Å; G765-F767 WeakPolarHBondContact O-CG 3.39Å; G765-F767 PolarHBondContact O-N 3.41Å; F767-Q774 VanDerWaalsContact CA-O 3.28Å; F767-Q774 WeakPolarHBondContact CA-O 3.28Å; F767-Q774 HydrophobicContact CB-CB 3.93Å; F767-Q774 HydrophobicContact CD1-CB 3.37Å; F767-Q774 HydrophobicContact CD1-CG 4.24Å; F767-Q774 HydrophobicContact CE1-CB 4.18Å; F767-Q774 HydrophobicContact CG-CB 4.09Å; F767-Q776 HydrophobicContact CD1-CG 3.52Å; F767-Q776 HydrophobicContact CE1-CG 3.49Å; F767-Q776 VanDerWaalsContact CE1-CG 3.49Å
768	D	68	Low	65.5	Low	72 Å²	72	92.8 Å²	92.8	39%	0.385	48%	0.482	S	S	.	.			trans	-92.6	102.2	170.8	-173.3	-18.5	0	0	0	107.5	D770 L771 Q774	D768-D770 PolarHBondContact O-N 3.13Å; D768-D770 VanDerWaalsContact O-N 3.16Å; D768-D770 PolarHBondContact OD1-N 3.08Å; D768-D770 VanDerWaalsContact OD1-N 3.13Å; D768-L771 HydrophobicContact CB-CB 4.21Å; D768-L771 HydrophobicContact CB-CD1 3.81Å; D768-L771 HydrophobicContact CB-CG 4.05Å; D768-L771 PolarHBondContact O-N 3.16Å; D768-L771 WeakPolarHBondContact OD2-CD1 3.44Å; D768-L771 WeakPolarHBondContact OD2-CG 3.38Å; D768-Q774 PolarHBondContact N-O 3.18Å; D768-Q774 CarbonylContact O-C 3.56Å; D768-Q774 VanDerWaalsContact O-C 3.3Å; D768-Q774 VanDerWaalsContact O-CA 3.24Å; D768-Q774 WeakPolarHBondContact O-CA 3.34Å
769	E	72.3	Confident	67.2	Low	169 Å²	169	89.3 Å²	89.3	79%	0.79	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21	-176.6	-65.7	-169	158.9	0	0	113	L771	E769-L771 VanDerWaalsContact C-N 3.33Å
770	D	76	Confident	68.8	Low	154 Å²	154	90.2 Å²	90.2	82%	0.824	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.5	178	-69.4	-33.3	0	0	0	113	D768	D768-D770 PolarHBondContact O-N 3.13Å; D768-D770 VanDerWaalsContact O-N 3.16Å; D768-D770 PolarHBondContact OD1-N 3.08Å; D768-D770 VanDerWaalsContact OD1-N 3.13Å
771	L	77.3	Confident	70.6	Confident	61 Å²	61	88 Å²	88	32%	0.319	46%	0.463	S	S	.	.	S	Bend	trans	-104.8	141.7	-178.9	-66.8	178	0	0	0	112.8	D768 E769 G773 Q774 M785	D768-L771 HydrophobicContact CB-CB 4.21Å; D768-L771 HydrophobicContact CB-CD1 3.81Å; D768-L771 HydrophobicContact CB-CG 4.05Å; D768-L771 PolarHBondContact O-N 3.16Å; D768-L771 WeakPolarHBondContact OD2-CD1 3.44Å; D768-L771 WeakPolarHBondContact OD2-CG 3.38Å; E769-L771 VanDerWaalsContact C-N 3.33Å; L771-G773 PolarHBondContact O-N 2.92Å; L771-Q774 WeakPolarHBondContact O-CA 3.47Å; L771-Q774 PolarHBondContact O-N 3.17Å; L771-M785 HydrophobicContact CB-CB 4.42Å; L771-M785 HydrophobicContact CB-CG 4.1Å; L771-M785 HydrophobicContact CD1-CE 3.69Å; L771-M785 HydrophobicContact CD1-CG 4.01Å; L771-M785 HydrophobicContact CD2-CG 4.08Å; L771-M785 HydrophobicContact CG-CG 4.3Å
772	P	79.7	Confident	72.1	Confident	68 Å²	68	85 Å²	85	44%	0.442	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-50.5	131.4	171.4	-25.4	29.9	0	0	0	112.3	Q774 G775 M785 F786	P772-Q774 PolarHBondContact O-N 2.96Å; P772-G775 PolarHBondContact O-N 2.95Å; P772-M785 HydrophobicContact CB-CB 4.17Å; P772-M785 HydrophobicContact CG-CB 4.18Å; P772-F786 CarbonylContact C-O 3.53Å; P772-F786 VanDerWaalsContact O-O 3.11Å
773	G	81.1	Confident	73.8	Confident	20 Å²	20	84.3 Å²	84.3	21%	0.206	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	67.8	25.4	-178	0	0	0	0	0	112.7	L771 G775 Q776 F786 E787	L771-G773 PolarHBondContact O-N 2.92Å; G773-G775 PolarHBondContact O-N 3.02Å; G773-Q776 VanDerWaalsContact O-CB 3.3Å; G773-Q776 WeakPolarHBondContact O-CB 3.17Å; G773-Q776 WeakPolarHBondContact O-CG 3.35Å; G773-Q776 PolarHBondContact O-N 3.46Å; G773-F786 WeakPolarHBondContact CA-O 3.26Å; G773-E787 VanDerWaalsContact CA-O 3.28Å; G773-E787 WeakPolarHBondContact CA-O 3.21Å
774	Q	78.2	Confident	75.4	Confident	93 Å²	93	83.4 Å²	83.4	44%	0.435	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	53.9	35.5	-177.4	-63.3	176.9	-20.8	0	0	112.4	F767 D768 L771 P772 Q776	F767-Q774 VanDerWaalsContact CA-O 3.28Å; F767-Q774 WeakPolarHBondContact CA-O 3.28Å; F767-Q774 HydrophobicContact CB-CB 3.93Å; F767-Q774 HydrophobicContact CD1-CB 3.37Å; F767-Q774 HydrophobicContact CD1-CG 4.24Å; F767-Q774 HydrophobicContact CE1-CB 4.18Å; F767-Q774 HydrophobicContact CG-CB 4.09Å; D768-Q774 PolarHBondContact N-O 3.18Å; D768-Q774 CarbonylContact O-C 3.56Å; D768-Q774 VanDerWaalsContact O-C 3.3Å; D768-Q774 VanDerWaalsContact O-CA 3.24Å; D768-Q774 WeakPolarHBondContact O-CA 3.34Å; L771-Q774 WeakPolarHBondContact O-CA 3.47Å; L771-Q774 PolarHBondContact O-N 3.17Å; P772-Q774 PolarHBondContact O-N 2.96Å; Q774-Q776 PolarHBondContact O-N 2.69Å
775	G	79	Confident	77.3	Confident	16 Å²	16	80 Å²	80	17%	0.165	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	72	3.1	-177.2	0	0	0	0	0	115.5	P772 G773 H777	P772-G775 PolarHBondContact O-N 2.95Å; G773-G775 PolarHBondContact O-N 3.02Å; G775-H777 PolarHBondContact O-N 3.22Å
776	Q	80.1	Confident	79.1	Confident	93 Å²	93	79 Å²	79	44%	0.435	41%	0.41	S	S	.	.			trans	-79.3	-17.2	-172.8	-63.1	-149.1	-44.5	0	0	115.3	F767 G773 Q774 P778	F767-Q776 HydrophobicContact CD1-CG 3.52Å; F767-Q776 HydrophobicContact CE1-CG 3.49Å; F767-Q776 VanDerWaalsContact CE1-CG 3.49Å; G773-Q776 VanDerWaalsContact O-CB 3.3Å; G773-Q776 WeakPolarHBondContact O-CB 3.17Å; G773-Q776 WeakPolarHBondContact O-CG 3.35Å; G773-Q776 PolarHBondContact O-N 3.46Å; Q774-Q776 PolarHBondContact O-N 2.69Å; Q776-P778 VanDerWaalsContact O-CD 3.3Å; Q776-P778 WeakPolarHBondContact O-CD 3.45Å
777	H	86.3	Confident	80.8	Confident	37 Å²	37	76.9 Å²	76.9	17%	0.171	40%	0.395	C	S	.	.	S	Bend	trans	-122.9	64.1	-174.5	-48.3	-66	0	0	0	112.8	G775 F786 N788 L792	G775-H777 PolarHBondContact O-N 3.22Å; H777-F786 HydrophobicContact CB-CB 4.15Å; H777-F786 WeakPolarHBondContact CB-O 3.16Å; H777-F786 PolarHBondContact CD2-O 2.99Å; H777-F786 PolarHBondContact O-N 3.19Å; H777-F786 VanDerWaalsContact O-N 3.09Å; H777-N788 WeakPolarHBondContact CD2-CA 3.46Å; H777-N788 WeakPolarHBondContact NE2-CA 3.23Å; H777-L792 HydrophobicContact CB-CB 4.31Å; H777-L792 HydrophobicContact CB-CD2 4.1Å
778	P	88.3	Confident	82	Confident	52 Å²	52	76.6 Å²	76.6	34%	0.338	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	139.4	177.4	28	-32.5	0	0	0	112.6	Q776 M785	Q776-P778 VanDerWaalsContact O-CD 3.3Å; Q776-P778 WeakPolarHBondContact O-CD 3.45Å; P778-M785 VanDerWaalsContact CA-SD 3.55Å; P778-M785 HydrophobicContact CB-CE 3.98Å; P778-M785 HydrophobicContact CB-SD 3.56Å; P778-M785 VanDerWaalsContact CB-SD 3.56Å; P778-M785 HydrophobicContact CG-SD 4.42Å
779	C	88.9	Confident	83	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.007	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	96.8	156.8	-178.4	0	0	0	0	109.4	E781 C782 D783 R784 F786 L792 H795 H801	C779-E781 PolarHBondContact O-N 3.37Å; C779-E781 PolarHBondContact SG-OE2 3.42Å; C779-C782 HydrophobicContact CB-CB 4.3Å; C779-C782 PolarHBondContact O-N 3.35Å; C779-C782 VanDerWaalsContact O-N 3.12Å; C779-D783 PolarHBondContact O-N 2.73Å; C779-R784 PolarHBondContact N-O 3.33Å; C779-R784 PolarHBondContact O-N 3.35Å; C779-F786 HydrophobicContact CB-CD2 4.26Å; C779-F786 HydrophobicContact CB-CE2 3.66Å; C779-L792 HydrophobicContact CB-CD1 3.83Å; C779-H795 PolarHBondContact SG-NE2 2.63Å; C779-H801 PolarHBondContact SG-CE1 3.06Å; C779-H801 PolarHBondContact SG-ND1 3.49Å
780	V	82.7	Confident	83.9	Confident	122 Å²	122	73.4 Å²	73.4	74%	0.739	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-35	-178	-174	0	0	0	0	111.9
781	E	84.5	Confident	84.5	Confident	63 Å²	63	68.1 Å²	68.1	29%	0.294	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-30.9	-177.1	-51.6	89.6	162.5	0	0	112.4	C779 H801 R804 V805 L808	C779-E781 PolarHBondContact O-N 3.37Å; C779-E781 PolarHBondContact SG-OE2 3.42Å; E781-H801 IonicContact OE2-CE1 3.64Å; E781-R804 WeakPolarHBondContact O-CG 3.48Å; E781-R804 PolarHBondContact O-NE 2.66Å; E781-V805 HydrophobicContact CB-CG2 3.97Å; E781-V805 HydrophobicContact CG-CG2 4.02Å; E781-L808 HydrophobicContact CB-CD1 3.81Å; E781-L808 HydrophobicContact CG-CD1 4.42Å; E781-L808 WeakPolarHBondContact O-CD1 3.41Å
782	C	85.8	Confident	85.2	Confident	22 Å²	22	65.6 Å²	65.6	15%	0.149	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-5.2	-178	-64.9	0	0	0	0	113.9	C779 R784 H795 H801	C779-C782 HydrophobicContact CB-CB 4.3Å; C779-C782 PolarHBondContact O-N 3.35Å; C779-C782 VanDerWaalsContact O-N 3.12Å; C782-R784 VanDerWaalsContact C-N 3.33Å; C782-R784 PolarHBondContact O-N 3.29Å; C782-H795 PolarHBondContact SG-NE2 2.71Å; C782-H801 PolarHBondContact SG-ND1 2.95Å; C782-H801 VanDerWaalsContact SG-ND1 3.39Å
783	D	84.3	Confident	85.8	Confident	132 Å²	132	67.2 Å²	67.2	71%	0.706	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	49.5	-177.7	-159.4	24.1	0	0	0	111.8	C779	C779-D783 PolarHBondContact O-N 2.73Å
784	R	83.8	Confident	86.3	Confident	164 Å²	164	73.7 Å²	73.7	62%	0.619	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	142	-178.8	-74.9	-175.9	179.9	-170.9	-2.7	111.1	C779 C782 F786	C779-R784 PolarHBondContact N-O 3.33Å; C779-R784 PolarHBondContact O-N 3.35Å; C782-R784 VanDerWaalsContact C-N 3.33Å; C782-R784 PolarHBondContact O-N 3.29Å; R784-F786 HydrophobicContact CB-CE2 3.87Å; R784-F786 HydrophobicContact CB-CZ 4.05Å
785	M	84.7	Confident	87	Confident	61 Å²	61	70.3 Å²	70.3	30%	0.3	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.5	171.2	-66.7	-60.4	-168.4	0	0	110.6	L771 P772 P778	L771-M785 HydrophobicContact CB-CB 4.42Å; L771-M785 HydrophobicContact CB-CG 4.1Å; L771-M785 HydrophobicContact CD1-CE 3.69Å; L771-M785 HydrophobicContact CD1-CG 4.01Å; L771-M785 HydrophobicContact CD2-CG 4.08Å; L771-M785 HydrophobicContact CG-CG 4.3Å; P772-M785 HydrophobicContact CB-CB 4.17Å; P772-M785 HydrophobicContact CG-CB 4.18Å; P778-M785 VanDerWaalsContact CA-SD 3.55Å; P778-M785 HydrophobicContact CB-CE 3.98Å; P778-M785 HydrophobicContact CB-SD 3.56Å; P778-M785 VanDerWaalsContact CB-SD 3.56Å; P778-M785 HydrophobicContact CG-SD 4.42Å
786	F	88.5	Confident	87.6	Confident	25 Å²	25	74.8 Å²	74.8	11%	0.11	36%	0.364	C	S	.	.			trans	-123.4	148	-178.4	-68.8	-82.8	0	0	0	111.3	P772 G773 H777 C779 R784 N788 V791 L792 H795	P772-F786 CarbonylContact C-O 3.53Å; P772-F786 VanDerWaalsContact O-O 3.11Å; G773-F786 WeakPolarHBondContact CA-O 3.26Å; H777-F786 HydrophobicContact CB-CB 4.15Å; H777-F786 WeakPolarHBondContact CB-O 3.16Å; H777-F786 PolarHBondContact CD2-O 2.99Å; H777-F786 PolarHBondContact O-N 3.19Å; H777-F786 VanDerWaalsContact O-N 3.09Å; C779-F786 HydrophobicContact CB-CD2 4.26Å; C779-F786 HydrophobicContact CB-CE2 3.66Å; R784-F786 HydrophobicContact CB-CE2 3.87Å; R784-F786 HydrophobicContact CB-CZ 4.05Å; F786-N788 VanDerWaalsContact C-N 3.32Å; F786-N788 PolarHBondContact O-N 3.19Å; F786-V791 HydrophobicContact CD1-CB 4.43Å; F786-V791 HydrophobicContact CD1-CG1 3.61Å; F786-V791 HydrophobicContact CE1-CG1 4.33Å; F786-V791 HydrophobicContact CG-CG1 4.49Å; F786-L792 HydrophobicContact CB-CB 4.1Å; F786-L792 HydrophobicContact CD2-CB 4.33Å; F786-L792 HydrophobicContact CD2-CD1 3.61Å; F786-L792 HydrophobicContact CE2-CD1 4.05Å; F786-L792 HydrophobicContact CG-CB 4.29Å; F786-L792 HydrophobicContact CG-CD1 4.38Å; F786-H795 HydrophobicContact CD1-CB 4.24Å; F786-H795 HydrophobicContact CE1-CB 3.52Å; F786-H795 AromaticContact CE1-CG 3.67Å; F786-H795 HydrophobicContact CE2-CB 4.08Å; F786-H795 AromaticContact CE2-CD2 3.43Å; F786-H795 VanDerWaalsContact CE2-CD2 3.43Å; F786-H795 WeakPolarHBondContact CE2-CD2 3.46Å; F786-H795 AromaticContact CE2-CG 3.66Å; F786-H795 AromaticContact CE2-NE2 3.96Å; F786-H795 HydrophobicContact CZ-CB 3.45Å; F786-H795 VanDerWaalsContact CZ-CB 3.45Å; F786-H795 AromaticContact CZ-CD2 3.32Å; F786-H795 WeakPolarHBondContact CZ-CD2 3.45Å; F786-H795 AromaticContact CZ-CE1 3.78Å; F786-H795 AromaticContact CZ-CG 3.05Å; F786-H795 AromaticContact CZ-ND1 3.39Å; F786-H795 WeakPolarHBondContact CZ-ND1 3.45Å; F786-H795 AromaticContact CZ-NE2 3.78Å
787	E	86.2	Confident	88.2	Confident	125 Å²	125	78 Å²	78	58%	0.584	38%	0.376	S	S	*	.	S	Bend	trans	-64.6	-29	-175.3	53.7	169.5	-146.9	0	0	115.3	G773 V791	G773-E787 VanDerWaalsContact CA-O 3.28Å; G773-E787 WeakPolarHBondContact CA-O 3.21Å; E787-V791 HydrophobicContact CG-CB 4.15Å; E787-V791 HydrophobicContact CG-CG2 3.77Å; E787-V791 VanDerWaalsContact OE1-CG2 3.26Å; E787-V791 WeakPolarHBondContact OE1-CG2 3.29Å
788	N	87.4	Confident	88.4	Confident	58 Å²	58	78 Å²	78	31%	0.31	38%	0.38	S	S	.	.	S	Bend	trans	-158.2	165.9	179.4	57	58.5	0	0	0	110.3	H777 F786 D790 V791 L792	H777-N788 WeakPolarHBondContact CD2-CA 3.46Å; H777-N788 WeakPolarHBondContact NE2-CA 3.23Å; F786-N788 VanDerWaalsContact C-N 3.32Å; F786-N788 PolarHBondContact O-N 3.19Å; N788-D790 PolarHBondContact O-N 3.43Å; N788-D790 WeakPolarHBondContact OD1-CB 3.11Å; N788-D790 PolarHBondContact OD1-N 2.93Å; N788-V791 PolarHBondContact O-N 2.89Å; N788-V791 WeakPolarHBondContact OD1-CG2 3.19Å; N788-V791 PolarHBondContact OD1-N 3Å; N788-L792 PolarHBondContact O-N 2.82Å; N788-L792 VanDerWaalsContact O-N 3.12Å
789	D	88	Confident	88.6	Confident	66 Å²	66	84.8 Å²	84.8	35%	0.353	40%	0.404	S	S	.	.	H	α-helix	trans	-62	-29.2	-179.7	-173.3	49.8	0	0	0	113.1	L792 K793	D789-L792 PolarHBondContact O-N 2.9Å; D789-K793 WeakPolarHBondContact O-CB 3.5Å; D789-K793 VanDerWaalsContact O-CG 3.31Å; D789-K793 WeakPolarHBondContact O-CG 3.33Å; D789-K793 PolarHBondContact O-N 3.42Å; D789-K793 WeakPolarHBondContact OD2-CE 3.17Å; D789-K793 IonicContact OD2-NZ 3.35Å; D789-K793 PolarHBondContact OD2-NZ 3.07Å
790	D	90.9	Very high	88.5	Confident	108 Å²	108	88.1 Å²	88.1	58%	0.578	43%	0.432	S	S	*	.	H	α-helix	trans	-69.6	-40.4	177.9	-81	-21	0	0	0	112.5	N788 K793 K794	N788-D790 PolarHBondContact O-N 3.43Å; N788-D790 WeakPolarHBondContact OD1-CB 3.11Å; N788-D790 PolarHBondContact OD1-N 2.93Å; D790-K793 PolarHBondContact O-N 3.26Å; D790-K794 WeakPolarHBondContact O-CG 3.32Å; D790-K794 PolarHBondContact O-N 3.48Å
791	V	90.1	Very high	89	Confident	43 Å²	43	83 Å²	83	26%	0.261	40%	0.4	S	S	.	.	H	α-helix	trans	-69.2	-39.1	173.9	-176.5	0	0	0	0	110.6	F786 E787 N788 K793 K794 H795	F786-V791 HydrophobicContact CD1-CB 4.43Å; F786-V791 HydrophobicContact CD1-CG1 3.61Å; F786-V791 HydrophobicContact CE1-CG1 4.33Å; F786-V791 HydrophobicContact CG-CG1 4.49Å; E787-V791 HydrophobicContact CG-CB 4.15Å; E787-V791 HydrophobicContact CG-CG2 3.77Å; E787-V791 VanDerWaalsContact OE1-CG2 3.26Å; E787-V791 WeakPolarHBondContact OE1-CG2 3.29Å; N788-V791 PolarHBondContact O-N 2.89Å; N788-V791 WeakPolarHBondContact OD1-CG2 3.19Å; N788-V791 PolarHBondContact OD1-N 3Å; V791-K793 VanDerWaalsContact C-N 3.34Å; V791-K793 PolarHBondContact O-N 3.3Å; V791-K794 PolarHBondContact O-N 3.13Å; V791-H795 WeakPolarHBondContact O-CB 3.5Å; V791-H795 PolarHBondContact O-N 3.26Å
792	L	91.7	Very high	89.3	Confident	8 Å²	8	86.3 Å²	86.3	4%	0.042	41%	0.413	C	S	.	.	H	α-helix	trans	-59.2	-44.8	172.3	176.8	62.5	0	0	0	111.3	H777 C779 F786 N788 D789 H795 R796	H777-L792 HydrophobicContact CB-CB 4.31Å; H777-L792 HydrophobicContact CB-CD2 4.1Å; C779-L792 HydrophobicContact CB-CD1 3.83Å; F786-L792 HydrophobicContact CB-CB 4.1Å; F786-L792 HydrophobicContact CD2-CB 4.33Å; F786-L792 HydrophobicContact CD2-CD1 3.61Å; F786-L792 HydrophobicContact CE2-CD1 4.05Å; F786-L792 HydrophobicContact CG-CB 4.29Å; F786-L792 HydrophobicContact CG-CD1 4.38Å; N788-L792 PolarHBondContact O-N 2.82Å; N788-L792 VanDerWaalsContact O-N 3.12Å; D789-L792 PolarHBondContact O-N 2.9Å; L792-H795 WeakPolarHBondContact O-CB 3.31Å; L792-H795 PolarHBondContact O-N 2.88Å; L792-R796 HydrophobicContact CD1-CG 4.23Å; L792-R796 WeakPolarHBondContact O-CB 3.2Å; L792-R796 WeakPolarHBondContact O-CG 3.5Å; L792-R796 PolarHBondContact O-N 3.29Å
793	K	91.3	Very high	89.5	Confident	102 Å²	102	94.2 Å²	94.2	44%	0.443	44%	0.44	S	S	.	.	H	α-helix	trans	-62.1	-42	175.6	-79.8	166.9	174.5	158.3	0	112.3	D789 D790 V791 K797	D789-K793 WeakPolarHBondContact O-CB 3.5Å; D789-K793 VanDerWaalsContact O-CG 3.31Å; D789-K793 WeakPolarHBondContact O-CG 3.33Å; D789-K793 PolarHBondContact O-N 3.42Å; D789-K793 WeakPolarHBondContact OD2-CE 3.17Å; D789-K793 IonicContact OD2-NZ 3.35Å; D789-K793 PolarHBondContact OD2-NZ 3.07Å; D790-K793 PolarHBondContact O-N 3.26Å; V791-K793 VanDerWaalsContact C-N 3.34Å; V791-K793 PolarHBondContact O-N 3.3Å; K793-K797 WeakPolarHBondContact O-CG 3.27Å; K793-K797 PolarHBondContact O-N 2.85Å
794	K	91.5	Very high	89.6	Confident	157 Å²	157	92.7 Å²	92.7	68%	0.683	43%	0.425	S	S	*	.	H	α-helix	trans	-64.1	-42.9	173.8	-76.2	176.1	-177.9	170.4	0	111.5	D790 V791 K797 S798	D790-K794 WeakPolarHBondContact O-CG 3.32Å; D790-K794 PolarHBondContact O-N 3.48Å; V791-K794 PolarHBondContact O-N 3.13Å; K794-K797 PolarHBondContact O-N 2.97Å; K794-S798 PolarHBondContact O-N 3.25Å
795	H	93	Very high	89.7	Confident	22 Å²	22	87.6 Å²	87.6	10%	0.102	41%	0.412	C	S	.	.	H	α-helix	trans	-60.3	-48.1	175.3	169.1	71.9	0	0	0	111.9	C779 C782 F786 V791 L792 K797 S798 H801	C779-H795 PolarHBondContact SG-NE2 2.63Å; C782-H795 PolarHBondContact SG-NE2 2.71Å; F786-H795 HydrophobicContact CD1-CB 4.24Å; F786-H795 HydrophobicContact CE1-CB 3.52Å; F786-H795 AromaticContact CE1-CG 3.67Å; F786-H795 HydrophobicContact CE2-CB 4.08Å; F786-H795 AromaticContact CE2-CD2 3.43Å; F786-H795 VanDerWaalsContact CE2-CD2 3.43Å; F786-H795 WeakPolarHBondContact CE2-CD2 3.46Å; F786-H795 AromaticContact CE2-CG 3.66Å; F786-H795 AromaticContact CE2-NE2 3.96Å; F786-H795 HydrophobicContact CZ-CB 3.45Å; F786-H795 VanDerWaalsContact CZ-CB 3.45Å; F786-H795 AromaticContact CZ-CD2 3.32Å; F786-H795 WeakPolarHBondContact CZ-CD2 3.45Å; F786-H795 AromaticContact CZ-CE1 3.78Å; F786-H795 AromaticContact CZ-CG 3.05Å; F786-H795 AromaticContact CZ-ND1 3.39Å; F786-H795 WeakPolarHBondContact CZ-ND1 3.45Å; F786-H795 AromaticContact CZ-NE2 3.78Å; V791-H795 WeakPolarHBondContact O-CB 3.5Å; V791-H795 PolarHBondContact O-N 3.26Å; L792-H795 WeakPolarHBondContact O-CB 3.31Å; L792-H795 PolarHBondContact O-N 2.88Å; H795-K797 PolarHBondContact O-N 3.17Å; H795-S798 WeakPolarHBondContact O-CB 3.41Å; H795-S798 PolarHBondContact O-N 3.34Å; H795-S798 PolarHBondContact O-OG 3.08Å; H795-H801 AromaticContact CD2-ND1 3.77Å; H795-H801 AromaticContact NE2-CG 3.89Å; H795-H801 AromaticContact NE2-ND1 3.33Å; H795-H801 PolarHBondContact NE2-ND1 2.95Å; H795-H801 WeakPolarHBondContact O-CB 3.39Å
796	R	91.6	Very high	89.8	Confident	109 Å²	109	90.7 Å²	90.7	41%	0.411	42%	0.423	S	S	.	.	H	α-helix	trans	-60.9	-26	178.1	-74.7	-179.2	172	172.9	1.6	113	L792 H801	L792-R796 HydrophobicContact CD1-CG 4.23Å; L792-R796 WeakPolarHBondContact O-CB 3.2Å; L792-R796 WeakPolarHBondContact O-CG 3.5Å; L792-R796 PolarHBondContact O-N 3.29Å; R796-H801 PolarHBondContact O-CD2 3.23Å; R796-H801 VanDerWaalsContact O-CD2 3.23Å
797	K	92.1	Very high	89.6	Confident	160 Å²	160	93.6 Å²	93.6	70%	0.696	44%	0.44	S	S	*	.	H	α-helix	trans	-81.9	-15.5	173.1	-70	176.1	-177.6	179.9	0	113.9	K793 K794 H795	K793-K797 WeakPolarHBondContact O-CG 3.27Å; K793-K797 PolarHBondContact O-N 2.85Å; K794-K797 PolarHBondContact O-N 2.97Å; H795-K797 PolarHBondContact O-N 3.17Å
798	S	91.4	Very high	89.2	Confident	37 Å²	37	90.9 Å²	90.9	26%	0.259	43%	0.429	S	S	.	.	S	Bend	trans	-67.1	151.8	-176.8	77.6	0	0	0	0	113.3	K794 H795 A800 H801 K802	K794-S798 PolarHBondContact O-N 3.25Å; H795-S798 WeakPolarHBondContact O-CB 3.41Å; H795-S798 PolarHBondContact O-N 3.34Å; H795-S798 PolarHBondContact O-OG 3.08Å; S798-A800 PolarHBondContact O-N 2.71Å; S798-H801 PolarHBondContact O-N 2.79Å; S798-H801 PolarHBondContact OG-N 3.02Å; S798-K802 PolarHBondContact O-N 3.24Å
799	K	92.1	Very high	88.7	Confident	195 Å²	195	92.3 Å²	92.3	85%	0.848	45%	0.449	S	S	*	.	H	α-helix	trans	-60	-34	173.8	-79.2	-176.2	177.9	176.9	0	112.3	R803	K799-R803 WeakPolarHBondContact O-CB 3.44Å; K799-R803 PolarHBondContact O-N 2.97Å
800	A	88.1	Confident	88.2	Confident	71 Å²	71	97.9 Å²	97.9	59%	0.587	47%	0.465	S	S	*	.	H	α-helix	trans	-64.2	-48.1	-179.9	0	0	0	0	0	111.8	S798 R803 R804	S798-A800 PolarHBondContact O-N 2.71Å; A800-R803 PolarHBondContact O-N 3.27Å; A800-R804 PolarHBondContact O-N 2.83Å; A800-R804 VanDerWaalsContact O-N 3.09Å
801	H	92	Very high	87.1	Confident	14 Å²	14	97 Å²	97	7%	0.065	46%	0.464	C	S	.	.	H	α-helix	trans	-60.5	-50.1	176.3	177.6	84.8	0	0	0	111.5	C779 E781 C782 H795 R796 S798 R803 R804 V805	C779-H801 PolarHBondContact SG-CE1 3.06Å; C779-H801 PolarHBondContact SG-ND1 3.49Å; E781-H801 IonicContact OE2-CE1 3.64Å; C782-H801 PolarHBondContact SG-ND1 2.95Å; C782-H801 VanDerWaalsContact SG-ND1 3.39Å; H795-H801 AromaticContact CD2-ND1 3.77Å; H795-H801 AromaticContact NE2-CG 3.89Å; H795-H801 AromaticContact NE2-ND1 3.33Å; H795-H801 PolarHBondContact NE2-ND1 2.95Å; H795-H801 WeakPolarHBondContact O-CB 3.39Å; R796-H801 PolarHBondContact O-CD2 3.23Å; R796-H801 VanDerWaalsContact O-CD2 3.23Å; S798-H801 PolarHBondContact O-N 2.79Å; S798-H801 PolarHBondContact OG-N 3.02Å; H801-R803 VanDerWaalsContact C-N 3.27Å; H801-R803 PolarHBondContact O-N 2.67Å; H801-R804 WeakPolarHBondContact O-CB 3.43Å; H801-R804 PolarHBondContact O-N 2.99Å; H801-V805 WeakPolarHBondContact NE2-CG2 3.32Å; H801-V805 WeakPolarHBondContact O-CG2 3.24Å; H801-V805 PolarHBondContact O-N 2.84Å
802	K	91.1	Very high	85.7	Confident	133 Å²	133	100.1 Å²	100.1	58%	0.578	49%	0.485	S	S	*	.	H	α-helix	trans	-57.3	-37.7	178.7	-67.6	180	-177.2	-178.9	0	113	S798 K806	S798-K802 PolarHBondContact O-N 3.24Å; K802-K806 WeakPolarHBondContact O-CB 3.09Å; K802-K806 PolarHBondContact O-N 2.75Å; K802-K806 VanDerWaalsContact O-N 3.16Å
803	R	89.1	Confident	84.3	Confident	189 Å²	189	104.9 Å²	104.9	71%	0.713	51%	0.505	S	S	*	.	H	α-helix	trans	-67.6	-39.9	175.9	-169.6	177.6	178.9	-175.4	-0.6	111.7	K799 A800 H801 K806 N807	K799-R803 WeakPolarHBondContact O-CB 3.44Å; K799-R803 PolarHBondContact O-N 2.97Å; A800-R803 PolarHBondContact O-N 3.27Å; H801-R803 VanDerWaalsContact C-N 3.27Å; H801-R803 PolarHBondContact O-N 2.67Å; R803-K806 PolarHBondContact O-N 3.48Å; R803-N807 PolarHBondContact O-N 3.02Å; R803-N807 VanDerWaalsContact O-N 3.07Å; R803-N807 PolarHBondContact O-OD1 3.04Å
804	R	86.5	Confident	83.1	Confident	100 Å²	100	106.9 Å²	106.9	38%	0.377	51%	0.511	S	S	.	.	H	α-helix	trans	-66.2	-45.2	177.9	-171.7	66.8	170.5	-157	-4.9	112.1	E781 A800 H801 K806 N807 L808	E781-R804 WeakPolarHBondContact O-CG 3.48Å; E781-R804 PolarHBondContact O-NE 2.66Å; A800-R804 PolarHBondContact O-N 2.83Å; A800-R804 VanDerWaalsContact O-N 3.09Å; H801-R804 WeakPolarHBondContact O-CB 3.43Å; H801-R804 PolarHBondContact O-N 2.99Å; R804-K806 VanDerWaalsContact C-N 3.31Å; R804-K806 PolarHBondContact O-N 2.9Å; R804-N807 PolarHBondContact O-N 2.96Å; R804-N807 VanDerWaalsContact O-N 3.13Å; R804-L808 HydrophobicContact CG-CD1 4.48Å; R804-L808 PolarHBondContact O-N 3.09Å
805	V	86.2	Confident	82.2	Confident	57 Å²	57	102.9 Å²	102.9	35%	0.345	50%	0.5	S	S	.	.	H	α-helix	trans	-57.4	-44.7	174.3	176.7	0	0	0	0	110.9	E781 H801 N807 L808 A809	E781-V805 HydrophobicContact CB-CG2 3.97Å; E781-V805 HydrophobicContact CG-CG2 4.02Å; H801-V805 WeakPolarHBondContact NE2-CG2 3.32Å; H801-V805 WeakPolarHBondContact O-CG2 3.24Å; H801-V805 PolarHBondContact O-N 2.84Å; V805-N807 VanDerWaalsContact C-N 3.31Å; V805-N807 PolarHBondContact O-N 2.97Å; V805-L808 PolarHBondContact O-N 3.28Å; V805-A809 PolarHBondContact O-N 3.3Å; V805-A809 VanDerWaalsContact O-N 3.1Å
806	K	86.8	Confident	81.2	Confident	126 Å²	126	108.4 Å²	108.4	55%	0.548	53%	0.526	S	S	.	.	H	α-helix	trans	-65	-32.2	177.9	-165.6	175.1	-175.9	176.7	0	113.3	K802 R803 R804 R810	K802-K806 WeakPolarHBondContact O-CB 3.09Å; K802-K806 PolarHBondContact O-N 2.75Å; K802-K806 VanDerWaalsContact O-N 3.16Å; R803-K806 PolarHBondContact O-N 3.48Å; R804-K806 VanDerWaalsContact C-N 3.31Å; R804-K806 PolarHBondContact O-N 2.9Å; K806-R810 WeakPolarHBondContact O-CG 3.29Å
807	N	84	Confident	80.3	Confident	86 Å²	86	110.8 Å²	110.8	46%	0.46	54%	0.542	S	S	.	.	H	α-helix	trans	-72.8	-43.3	175.1	-74.4	-1.2	0	0	0	111.6	R803 R804 V805 A809 R810 T811	R803-N807 PolarHBondContact O-N 3.02Å; R803-N807 VanDerWaalsContact O-N 3.07Å; R803-N807 PolarHBondContact O-OD1 3.04Å; R804-N807 PolarHBondContact O-N 2.96Å; R804-N807 VanDerWaalsContact O-N 3.13Å; V805-N807 VanDerWaalsContact C-N 3.31Å; V805-N807 PolarHBondContact O-N 2.97Å; N807-A809 PolarHBondContact O-N 3.18Å; N807-R810 PolarHBondContact O-N 3.33Å; N807-T811 PolarHBondContact O-N 3Å; N807-T811 VanDerWaalsContact O-N 3.09Å
808	L	78.3	Confident	79.4	Confident	67 Å²	67	108.2 Å²	108.2	35%	0.351	53%	0.532	S	S	.	.	H	α-helix	trans	-60.8	-34.6	176.5	-74	168.7	0	0	0	112.3	E781 R804 V805 R810 K813	E781-L808 HydrophobicContact CB-CD1 3.81Å; E781-L808 HydrophobicContact CG-CD1 4.42Å; E781-L808 WeakPolarHBondContact O-CD1 3.41Å; R804-L808 HydrophobicContact CG-CD1 4.48Å; R804-L808 PolarHBondContact O-N 3.09Å; V805-L808 PolarHBondContact O-N 3.28Å; L808-R810 VanDerWaalsContact C-N 3.26Å; L808-R810 PolarHBondContact O-N 3.21Å; L808-K813 HydrophobicContact CD2-CD 4.39Å
809	A	77.5	Confident	78.4	Confident	89 Å²	89	108.7 Å²	108.7	74%	0.736	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-18	175.4	0	0	0	0	0	114.2	V805 N807	V805-A809 PolarHBondContact O-N 3.3Å; V805-A809 VanDerWaalsContact O-N 3.1Å; N807-A809 PolarHBondContact O-N 3.18Å
810	R	77.3	Confident	77.6	Confident	182 Å²	182	102.2 Å²	102.2	69%	0.687	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-18.2	-176.6	-72.9	179.5	173.4	-165.1	-6.8	113.7	K806 N807 L808	K806-R810 WeakPolarHBondContact O-CG 3.29Å; N807-R810 PolarHBondContact O-N 3.33Å; L808-R810 VanDerWaalsContact C-N 3.26Å; L808-R810 PolarHBondContact O-N 3.21Å
811	T	67.9	Low	76.9	Confident	91 Å²	91	102 Å²	102	56%	0.558	51%	0.511	S	S	*	.	S	Bend	trans	-143.7	103.7	-172.4	-36.8	0	0	0	0	108.7	N807 K813	N807-T811 PolarHBondContact O-N 3Å; N807-T811 VanDerWaalsContact O-N 3.09Å; T811-K813 PolarHBondContact O-N 3.04Å
812	P	60.1	Low	75.9	Confident	107 Å²	107	105.7 Å²	105.7	70%	0.695	54%	0.544	S	S	*	.			trans	-59.3	125.5	168.3	24	-29.6	0	0	0	107.7	Y814	P812-Y814 PolarHBondContact O-N 3.32Å
813	K	62.4	Low	75.1	Confident	108 Å²	108	102.6 Å²	102.6	47%	0.47	54%	0.543	S	S	.	.	S	Bend	trans	-71.1	-18.6	-169	-151.1	176.6	173.8	-148.4	0	112.4	L808 T811	L808-K813 HydrophobicContact CD2-CD 4.39Å; T811-K813 PolarHBondContact O-N 3.04Å
814	Y	67.1	Low	73.8	Confident	144 Å²	144	96.7 Å²	96.7	57%	0.565	54%	0.541	S	S	*	.	S	Bend	trans	-146.6	138.6	177.3	-33.2	-77.2	0	0	0	107.7	P812 E818	P812-Y814 PolarHBondContact O-N 3.32Å; Y814-E818 VanDerWaalsContact CA-OE2 3.24Å; Y814-E818 WeakPolarHBondContact CA-OE2 3.48Å
815	T	72.8	Confident	72.9	Confident	74 Å²	74	98 Å²	98	45%	0.454	56%	0.555	S	S	.	*			trans	-72.6	155.9	165	60.7	0	0	0	0	109.5	Q817 E818 A819	T815-Q817 PolarHBondContact O-N 3.05Å; T815-Q817 VanDerWaalsContact O-N 3.14Å; T815-E818 PolarHBondContact N-OE2 3.49Å; T815-E818 PolarHBondContact O-N 3.22Å; T815-E818 WeakPolarHBondContact OG1-CG 3.21Å; T815-E818 PolarHBondContact OG1-N 3.38Å; T815-E818 PolarHBondContact OG1-OE2 3.2Å; T815-A819 PolarHBondContact O-N 3.26Å; T815-A819 VanDerWaalsContact O-N 3.09Å
816	Q	71.2	Confident	71.5	Confident	138 Å²	138	97.9 Å²	97.9	65%	0.645	57%	0.566	S	S	*	*	H	α-helix	trans	-53.9	-34.2	172.8	-174.3	62.1	43.8	0	0	111	E818 A819 D820	Q816-E818 PolarHBondContact O-N 2.87Å; Q816-A819 PolarHBondContact O-N 3.26Å; Q816-D820 PolarHBondContact NE2-OD1 3.21Å; Q816-D820 WeakPolarHBondContact O-CB 3.43Å; Q816-D820 PolarHBondContact O-N 3.32Å
817	Q	71.9	Confident	70	Confident	159 Å²	159	98.4 Å²	98.4	74%	0.743	58%	0.58	S	S	*	*	H	α-helix	trans	-63.9	-38.8	177.4	-150.2	173.8	14.2	0	0	113	T815 A821	T815-Q817 PolarHBondContact O-N 3.05Å; T815-Q817 VanDerWaalsContact O-N 3.14Å; Q817-A821 VanDerWaalsContact O-CB 3.31Å; Q817-A821 WeakPolarHBondContact O-CB 3.01Å; Q817-A821 PolarHBondContact O-N 3.33Å
818	E	73.7	Confident	68.3	Low	106 Å²	106	103.3 Å²	103.3	50%	0.495	59%	0.593	S	S	.	*	H	α-helix	trans	-71	-36.3	174.1	-73.4	165.4	145	0	0	111.8	Y814 T815 Q816 A822	Y814-E818 VanDerWaalsContact CA-OE2 3.24Å; Y814-E818 WeakPolarHBondContact CA-OE2 3.48Å; T815-E818 PolarHBondContact N-OE2 3.49Å; T815-E818 PolarHBondContact O-N 3.22Å; T815-E818 WeakPolarHBondContact OG1-CG 3.21Å; T815-E818 PolarHBondContact OG1-N 3.38Å; T815-E818 PolarHBondContact OG1-OE2 3.2Å; Q816-E818 PolarHBondContact O-N 2.87Å; E818-A822 WeakPolarHBondContact O-CB 3.47Å; E818-A822 PolarHBondContact O-N 3.36Å
819	A	70.7	Confident	67.3	Low	46 Å²	46	105.3 Å²	105.3	38%	0.38	61%	0.611	S	S	.	*	H	α-helix	trans	-66.8	-42.8	175.2	0	0	0	0	0	111.8	T815 Q816 A822 A823	T815-A819 PolarHBondContact O-N 3.26Å; T815-A819 VanDerWaalsContact O-N 3.09Å; Q816-A819 PolarHBondContact O-N 3.26Å; A819-A822 PolarHBondContact O-N 3.36Å; A819-A823 WeakPolarHBondContact O-CB 3.45Å; A819-A823 PolarHBondContact O-N 3.2Å
820	D	75.9	Confident	66	Low	60 Å²	60	106 Å²	106	32%	0.321	61%	0.606	S	S	.	*	H	α-helix	trans	-66.4	-41.1	177.1	-65.2	-17.7	0	0	0	110.8	Q816 A822 A823 G824 L825	Q816-D820 PolarHBondContact NE2-OD1 3.21Å; Q816-D820 WeakPolarHBondContact O-CB 3.43Å; Q816-D820 PolarHBondContact O-N 3.32Å; D820-A822 PolarHBondContact O-N 2.9Å; D820-A823 PolarHBondContact O-N 3.28Å; D820-G824 PolarHBondContact O-N 3.3Å; D820-L825 CarbonylContact C-O 3.16Å; D820-L825 HydrophobicContact CB-CB 4.39Å; D820-L825 WeakPolarHBondContact CB-O 3.48Å; D820-L825 CarbonylContact O-C 3.34Å; D820-L825 WeakPolarHBondContact O-CA 3.26Å; D820-L825 WeakPolarHBondContact O-CB 3.28Å; D820-L825 PolarHBondContact O-N 3.46Å
821	A	72.5	Confident	65.2	Low	65 Å²	65	101.5 Å²	101.5	54%	0.537	60%	0.601	S	S	.	*	H	α-helix	trans	-61.6	-43.1	173.8	0	0	0	0	0	112.5	Q817 A823 G824	Q817-A821 VanDerWaalsContact O-CB 3.31Å; Q817-A821 WeakPolarHBondContact O-CB 3.01Å; Q817-A821 PolarHBondContact O-N 3.33Å; A821-A823 VanDerWaalsContact C-N 3.29Å; A821-A823 PolarHBondContact O-N 2.98Å; A821-G824 PolarHBondContact O-N 3.09Å
822	A	71.6	Confident	65.1	Low	92 Å²	92	101.3 Å²	101.3	76%	0.76	60%	0.6	S	S	*	*	H	α-helix	trans	-67.8	-27.4	176.5	0	0	0	0	0	113.1	E818 A819 D820 G824	E818-A822 WeakPolarHBondContact O-CB 3.47Å; E818-A822 PolarHBondContact O-N 3.36Å; A819-A822 PolarHBondContact O-N 3.36Å; D820-A822 PolarHBondContact O-N 2.9Å; A822-G824 PolarHBondContact O-N 2.89Å
823	A	72.8	Confident	64.8	Low	68 Å²	68	105.9 Å²	105.9	56%	0.562	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	3	174.4	0	0	0	0	0	113.8	A819 D820 A821 L825	A819-A823 WeakPolarHBondContact O-CB 3.45Å; A819-A823 PolarHBondContact O-N 3.2Å; D820-A823 PolarHBondContact O-N 3.28Å; A821-A823 VanDerWaalsContact C-N 3.29Å; A821-A823 PolarHBondContact O-N 2.98Å; A823-L825 HydrophobicContact CB-CD1 4.15Å; A823-L825 PolarHBondContact O-N 3.32Å
824	G	62.4	Low	64.8	Low	66 Å²	66	107.1 Å²	107.1	68%	0.68	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.1	15.1	-176.1	0	0	0	0	0	113.9	D820 A821 A822	D820-G824 PolarHBondContact O-N 3.3Å; A821-G824 PolarHBondContact O-N 3.09Å; A822-G824 PolarHBondContact O-N 2.89Å
825	L	67.9	Low	64.7	Low	126 Å²	126	105.4 Å²	105.4	66%	0.66	62%	0.621	S	S	*	*			trans	-104.4	69.1	-179.5	-69.4	164.1	0	0	0	109.2	D820 A823	D820-L825 CarbonylContact C-O 3.16Å; D820-L825 HydrophobicContact CB-CB 4.39Å; D820-L825 WeakPolarHBondContact CB-O 3.48Å; D820-L825 CarbonylContact O-C 3.34Å; D820-L825 WeakPolarHBondContact O-CA 3.26Å; D820-L825 WeakPolarHBondContact O-CB 3.28Å; D820-L825 PolarHBondContact O-N 3.46Å; A823-L825 HydrophobicContact CB-CD1 4.15Å; A823-L825 PolarHBondContact O-N 3.32Å
826	G	57.5	Low	63.8	Low	56 Å²	56	107.9 Å²	107.9	58%	0.577	64%	0.636	S	S	*	*	S	Bend	trans	-167	144.4	176.7	0	0	0	0	0	110.9	Y828	G826-Y828 PolarHBondContact O-N 3.38Å
827	T	55	Low	62.5	Low	136 Å²	136	112.7 Å²	112.7	83%	0.834	66%	0.661	S	S	*	*			trans	-59.3	118.5	179	42.4	0	0	0	0	110.4	C829	T827-C829 PolarHBondContact O-N 2.91Å; T827-C829 VanDerWaalsContact O-N 3.13Å
828	Y	47.1	Very low	62.1	Low	190 Å²	190	110.4 Å²	110.4	75%	0.745	66%	0.657	S	S	*	*			trans	-49.1	114.7	170.3	178.8	-92.5	0	0	0	110.6	G826 T830	G826-Y828 PolarHBondContact O-N 3.38Å; Y828-T830 HydrophobicContact CE1-CG2 4.44Å
829	C	57.6	Low	61.4	Low	108 Å²	108	110.6 Å²	110.6	73%	0.73	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-97.1	121.5	166.6	-71.1	0	0	0	0	108.2	T827	T827-C829 PolarHBondContact O-N 2.91Å; T827-C829 VanDerWaalsContact O-N 3.13Å
830	T	51.5	Low	60.9	Low	104 Å²	104	114.2 Å²	114.2	64%	0.638	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-61.8	126.8	174.5	-33.7	0	0	0	0	109.6	Y828 T832	Y828-T830 HydrophobicContact CE1-CG2 4.44Å; T830-T832 PolarHBondContact O-N 2.76Å
831	P	58.9	Low	60	Low	88 Å²	88	117.4 Å²	117.4	57%	0.571	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-59.5	135.3	177.7	-19.5	29.7	0	0	0	110.7
832	T	65.8	Low	59.3	Low	87 Å²	87	120.6 Å²	120.6	53%	0.534	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-87.8	159.2	172.1	63.8	0	0	0	0	109.8	T830 N834 D835	T830-T832 PolarHBondContact O-N 2.76Å; T832-N834 PolarHBondContact O-N 3.27Å; T832-D835 PolarHBondContact N-OD2 3.24Å; T832-D835 PolarHBondContact O-N 2.74Å; T832-D835 PolarHBondContact OG1-OD2 3.49Å
833	K	54.5	Low	58.4	Low	203 Å²	203	122.5 Å²	122.5	88%	0.883	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-11.2	-175.4	-126.1	179.7	-177.3	-178.5	0	115.1
834	N	62.2	Low	57.4	Low	133 Å²	133	126.4 Å²	126.4	71%	0.711	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-9.8	179.5	-69.5	-13.2	0	0	0	113.8	T832 V836	T832-N834 PolarHBondContact O-N 3.27Å; N834-V836 VanDerWaalsContact C-N 3.26Å; N834-V836 PolarHBondContact O-N 3.05Å
835	D	64.6	Low	57	Low	109 Å²	109	131.1 Å²	131.1	58%	0.583	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	8.7	-175.5	-57.8	-47.8	0	0	0	113.2	T832	T832-D835 PolarHBondContact N-OD2 3.24Å; T832-D835 PolarHBondContact O-N 2.74Å; T832-D835 PolarHBondContact OG1-OD2 3.49Å
836	V	53.6	Low	56.1	Low	126 Å²	126	131.5 Å²	131.5	76%	0.764	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	23.8	-174.1	-157.5	0	0	0	0	112.6	N834	N834-V836 VanDerWaalsContact C-N 3.26Å; N834-V836 PolarHBondContact O-N 3.05Å
837	M	45.4	Very low	56	Low	238 Å²	238	138.4 Å²	138.4	100%	1.172	74%	0.742	S	S	*	*			trans	-99.7	0	158	-72.8	-166.2	-164	0	0	109

Retrieved 837 of 837 residues in 273 ms (Link to these results)

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