A0A060WMF2_ONCMY Loading...

BUB1 mitotic checkpoint serine/threonine kinase Bb

AlphaFold DB , UniProt , Accession A0A060WMF2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene bub1bb, Length 425 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	60.5	Low	252 Å²	252	120.2 Å²	120.2	100%	1.241	69%	0.691	S	S	*	*				0	101.8	0	-72.5	176.7	171.1	0	0	106.9
2	A	42.7	Very low	62.5	Low	109 Å²	109	112.7 Å²	112.7	90%	0.901	65%	0.65	S	S	*	*			trans	-129.4	59.3	176.5	0	0	0	0	0	107.1
3	E	45.2	Very low	64.4	Low	196 Å²	196	113.1 Å²	113.1	92%	0.916	64%	0.64	S	S	*	*			trans	-113.4	116	166.5	-78.2	-177.7	151.1	0	0	104.9
4	G	42.9	Very low	66.1	Low	83 Å²	83	116.6 Å²	116.6	86%	0.856	65%	0.648	S	S	*	*			trans	151.9	15.9	-178.5	0	0	0	0	0	116.8
5	G	50.1	Low	67.3	Low	71 Å²	71	113.7 Å²	113.7	73%	0.732	63%	0.631	S	S	*	*			trans	-118.2	84.7	164.7	0	0	0	0	0	108.1	A7	G5-A7 PolarHBondContact O-N 3.26Å; G5-A7 VanDerWaalsContact O-N 3.12Å
6	E	51.3	Low	68.6	Low	169 Å²	169	108.7 Å²	108.7	79%	0.79	60%	0.602	S	S	*	*			trans	-51.8	120.8	165.4	-155.1	170.6	-150.5	0	0	106.6	D8	E6-D8 PolarHBondContact O-N 3.37Å; E6-D8 VanDerWaalsContact O-N 3.16Å
7	A	68.3	Low	69.7	Low	15 Å²	15	107.5 Å²	107.5	12%	0.124	59%	0.591	C	S	.	*			trans	-63.1	116.8	-156.2	0	0	0	0	0	111.5	G5 W9 E10	G5-A7 PolarHBondContact O-N 3.26Å; G5-A7 VanDerWaalsContact O-N 3.12Å; A7-W9 HydrophobicContact CB-CD2 3.93Å; A7-W9 HydrophobicContact CB-CG 3.84Å; A7-W9 HydrophobicContact CB-CZ2 4Å; A7-W9 PolarHBondContact O-N 2.99Å; A7-E10 HydrophobicContact CB-CB 4.29Å; A7-E10 HydrophobicContact CB-CG 3.76Å; A7-E10 WeakPolarHBondContact O-CA 3.15Å; A7-E10 WeakPolarHBondContact O-CB 3.33Å; A7-E10 PolarHBondContact O-N 2.93Å
8	D	75.1	Confident	70.8	Confident	93 Å²	93	108.2 Å²	108.2	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-48.3	-28.2	172.7	-63.2	-39.8	0	0	0	112.8	E6 C12 H29	E6-D8 PolarHBondContact O-N 3.37Å; E6-D8 VanDerWaalsContact O-N 3.16Å; D8-C12 PolarHBondContact O-N 3.2Å; D8-H29 IonicContact OD2-ND1 2.77Å
9	W	81.2	Confident	71.7	Confident	106 Å²	106	105.1 Å²	105.1	40%	0.402	58%	0.584	S	S	.	*	H	α-helix	trans	-70.9	-27.8	174.9	70.3	-103.1	0	0	0	114	A7 C12 K13 I16 L28 H29 L32	A7-W9 HydrophobicContact CB-CD2 3.93Å; A7-W9 HydrophobicContact CB-CG 3.84Å; A7-W9 HydrophobicContact CB-CZ2 4Å; A7-W9 PolarHBondContact O-N 2.99Å; W9-C12 CarbonylContact O-C 3.43Å; W9-C12 PolarHBondContact O-N 3.35Å; W9-K13 WeakPolarHBondContact O-CA 3.49Å; W9-K13 WeakPolarHBondContact O-CB 3.24Å; W9-K13 PolarHBondContact O-N 2.79Å; W9-I16 HydrophobicContact CB-CD1 4.35Å; W9-L28 HydrophobicContact CB-CD2 4.12Å; W9-H29 AromaticContact CD1-NE2 3.83Å; W9-L32 HydrophobicContact CB-CD1 3.93Å
10	E	86.9	Confident	72.4	Confident	91 Å²	91	107.8 Å²	107.8	43%	0.425	59%	0.589	S	S	.	*	H	α-helix	trans	-68.1	-38	174.5	-72.6	-179	-180	0	0	111.7	A7 C12 K13	A7-E10 HydrophobicContact CB-CB 4.29Å; A7-E10 HydrophobicContact CB-CG 3.76Å; A7-E10 WeakPolarHBondContact O-CA 3.15Å; A7-E10 WeakPolarHBondContact O-CB 3.33Å; A7-E10 PolarHBondContact O-N 2.93Å; E10-C12 PolarHBondContact O-N 3.34Å; E10-K13 WeakPolarHBondContact O-CG 3.41Å
11	L	86.3	Confident	73	Confident	137 Å²	137	109.7 Å²	109.7	72%	0.717	59%	0.592	S	S	*	*	H	α-helix	trans	-65	-30.9	174.3	-69.7	119	0	0	0	112.1
12	C	84.3	Confident	75.6	Confident	30 Å²	30	99.8 Å²	99.8	20%	0.203	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-107.6	9.2	-176.7	-66.2	0	0	0	0	113.9	D8 W9 E10 E14 N15 I16 L32	D8-C12 PolarHBondContact O-N 3.2Å; W9-C12 CarbonylContact O-C 3.43Å; W9-C12 PolarHBondContact O-N 3.35Å; E10-C12 PolarHBondContact O-N 3.34Å; C12-E14 PolarHBondContact O-N 3.45Å; C12-N15 CarbonylContact O-C 3.58Å; C12-N15 WeakPolarHBondContact O-CA 3.47Å; C12-N15 WeakPolarHBondContact O-CB 3.38Å; C12-N15 PolarHBondContact O-N 2.88Å; C12-I16 WeakPolarHBondContact O-CG1 3.46Å; C12-L32 HydrophobicContact CB-CD1 4.26Å; C12-L32 HydrophobicContact CB-CD2 3.5Å; C12-L32 VanDerWaalsContact CB-CD2 3.5Å
13	K	87.8	Confident	77.8	Confident	118 Å²	118	97 Å²	97	51%	0.513	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-59.3	-33.8	-171.7	71	-172.6	-180	-175.9	0	114	W9 E10 N15 I16	W9-K13 WeakPolarHBondContact O-CA 3.49Å; W9-K13 WeakPolarHBondContact O-CB 3.24Å; W9-K13 PolarHBondContact O-N 2.79Å; E10-K13 WeakPolarHBondContact O-CG 3.41Å; K13-N15 PolarHBondContact O-N 2.87Å; K13-I16 PolarHBondContact O-N 3.07Å; K13-I16 VanDerWaalsContact O-N 3.11Å
14	E	87.6	Confident	80	Confident	162 Å²	162	89.3 Å²	89.3	76%	0.757	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-67.2	-21.2	176.4	-55.8	-57	133.3	0	0	112.4	C12	C12-E14 PolarHBondContact O-N 3.45Å
15	N	84.7	Confident	82.1	Confident	74 Å²	74	91 Å²	91	40%	0.396	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-96.5	9.7	177.1	-66.7	-37.6	0	0	0	112.2	C12 K13 P78 Q79	C12-N15 CarbonylContact O-C 3.58Å; C12-N15 WeakPolarHBondContact O-CA 3.47Å; C12-N15 WeakPolarHBondContact O-CB 3.38Å; C12-N15 PolarHBondContact O-N 2.88Å; K13-N15 PolarHBondContact O-N 2.87Å; N15-P78 CarbonylContact O-C 3.32Å; N15-P78 VanDerWaalsContact O-C 3.32Å; N15-Q79 HydrophobicContact CB-CG 3.7Å; N15-Q79 WeakPolarHBondContact O-CA 3.4Å; N15-Q79 WeakPolarHBondContact O-CG 3.42Å; N15-Q79 PolarHBondContact O-N 2.95Å
16	I	87.8	Confident	83.9	Confident	33 Å²	33	92 Å²	92	17%	0.169	47%	0.474	C	S	.	.	S	Bend	trans	-108.3	110.2	179.2	-59.5	171	0	0	0	108.5	W9 C12 K13 P18 L28 P78	W9-I16 HydrophobicContact CB-CD1 4.35Å; C12-I16 WeakPolarHBondContact O-CG1 3.46Å; K13-I16 PolarHBondContact O-N 3.07Å; K13-I16 VanDerWaalsContact O-N 3.11Å; I16-P18 WeakPolarHBondContact O-CD 3.46Å; I16-L28 HydrophobicContact CD1-CD1 3.83Å; I16-L28 HydrophobicContact CD1-CD2 3.87Å; I16-L28 HydrophobicContact CD1-CG 4.34Å; I16-L28 HydrophobicContact CG1-CD1 4.1Å; I16-L28 HydrophobicContact CG2-CD1 4.48Å; I16-P78 HydrophobicContact CG1-CB 4.22Å
17	Q	87.9	Confident	85.6	Confident	89 Å²	89	85.4 Å²	85.4	42%	0.416	45%	0.445	S	S	.	.			trans	-62.6	125.4	173.8	-176.4	-177.1	-3.4	0	0	109.6	L19 R23 P78	Q17-L19 HydrophobicContact CG-CD2 4.37Å; Q17-L19 PolarHBondContact O-N 3.38Å; Q17-R23 PolarHBondContact O-NE 3.4Å; Q17-R23 VanDerWaalsContact O-NE 3.09Å; Q17-R23 PolarHBondContact O-NH2 3.28Å; Q17-P78 PolarHBondContact N-O 3.47Å
18	P	89.4	Confident	86.5	Confident	119 Å²	119	85.5 Å²	85.5	77%	0.773	44%	0.444	S	S	*	.			trans	-68.6	128.6	174.8	27.5	-32.6	0	0	0	109.8	I16	I16-P18 WeakPolarHBondContact O-CD 3.46Å
19	L	88.2	Confident	87	Confident	50 Å²	50	84.2 Å²	84.2	26%	0.262	43%	0.434	S	S	.	.			trans	-114.1	137.7	177.9	-59.3	-177.8	0	0	0	109.5	Q17 K21 G22 R23 E74	Q17-L19 HydrophobicContact CG-CD2 4.37Å; Q17-L19 PolarHBondContact O-N 3.38Å; L19-K21 PolarHBondContact O-N 2.9Å; L19-G22 PolarHBondContact O-N 3.41Å; L19-R23 HydrophobicContact CD1-CG 3.86Å; L19-R23 HydrophobicContact CG-CG 4.4Å; L19-E74 HydrophobicContact CD1-CB 4.44Å
20	K	85.5	Confident	87.3	Confident	158 Å²	158	84.4 Å²	84.4	69%	0.687	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.8	177.5	-68.1	-177.2	177.3	178.6	0	113	E118	K20-E118 WeakPolarHBondContact CE-OE1 3.47Å; K20-E118 IonicContact NZ-OE1 3.48Å; K20-E118 PolarHBondContact NZ-OE1 3.31Å
21	K	85.4	Confident	87.2	Confident	149 Å²	149	80.3 Å²	80.3	65%	0.648	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.8	179.2	-63.3	-176.2	177.7	-176.2	0	113.7	L19 D111	L19-K21 PolarHBondContact O-N 2.9Å; K21-D111 IonicContact NZ-OD2 3.53Å; K21-D111 PolarHBondContact NZ-OD2 2.84Å
22	G	89.6	Confident	87	Confident	43 Å²	43	74.3 Å²	74.3	44%	0.443	39%	0.39	S	S	.	.			trans	73.8	-175.1	-173.1	0	0	0	0	0	114	L19	L19-G22 PolarHBondContact O-N 3.41Å
23	R	89.4	Confident	86.9	Confident	50 Å²	50	75.3 Å²	75.3	19%	0.189	40%	0.398	C	S	.	.			trans	-129.6	146.6	179.4	-70.9	176	175.8	-86.4	-1	110.5	Q17 L19 I25 E74 Y77 P78	Q17-R23 PolarHBondContact O-NE 3.4Å; Q17-R23 VanDerWaalsContact O-NE 3.09Å; Q17-R23 PolarHBondContact O-NH2 3.28Å; L19-R23 HydrophobicContact CD1-CG 3.86Å; L19-R23 HydrophobicContact CG-CG 4.4Å; R23-I25 PolarHBondContact O-N 2.91Å; R23-E74 PolarHBondContact NH1-O 3.11Å; R23-Y77 PolarHBondContact NH2-O 2.9Å; R23-P78 PolarHBondContact NH2-O 3.35Å
24	A	89.8	Confident	86.4	Confident	36 Å²	36	71.8 Å²	71.8	30%	0.298	38%	0.383	S	S	.	.			trans	-73.6	122.5	171.7	0	0	0	0	0	110	S26 V27 L28	A24-S26 VanDerWaalsContact C-N 3.33Å; A24-S26 PolarHBondContact O-N 3.19Å; A24-V27 HydrophobicContact CB-CB 4.36Å; A24-V27 HydrophobicContact CB-CG2 4.05Å; A24-V27 PolarHBondContact O-N 2.85Å; A24-L28 WeakPolarHBondContact O-CB 3.45Å; A24-L28 PolarHBondContact O-N 2.98Å
25	I	87.2	Confident	85.8	Confident	118 Å²	118	68.3 Å²	68.3	61%	0.605	37%	0.367	S	S	*	.	H	α-helix	trans	-61.2	-40.8	-174.9	-65.1	168.5	0	0	0	111.5	R23 V27 L28 H29	R23-I25 PolarHBondContact O-N 2.91Å; I25-V27 PolarHBondContact O-N 2.94Å; I25-L28 WeakPolarHBondContact O-CB 3.46Å; I25-L28 PolarHBondContact O-N 2.89Å; I25-H29 PolarHBondContact O-CD2 2.99Å; I25-H29 VanDerWaalsContact O-CD2 3.28Å; I25-H29 PolarHBondContact O-N 3.43Å
26	S	88.1	Confident	85.1	Confident	92 Å²	92	73 Å²	73	64%	0.643	39%	0.387	S	S	*	.	H	α-helix	trans	-60.6	-47.1	178.7	50.7	0	0	0	0	112.7	A24 L28 H29 Q30	A24-S26 VanDerWaalsContact C-N 3.33Å; A24-S26 PolarHBondContact O-N 3.19Å; S26-L28 VanDerWaalsContact C-N 3.31Å; S26-H29 PolarHBondContact O-N 3.41Å; S26-Q30 PolarHBondContact O-N 3.3Å; S26-Q30 VanDerWaalsContact O-N 3.08Å
27	V	87.1	Confident	84.2	Confident	30 Å²	30	78.7 Å²	78.7	18%	0.182	41%	0.412	C	S	.	.	H	α-helix	trans	-69.2	-34.2	179.1	-171.8	0	0	0	0	110.9	A24 I25 Q30 A31 Q75	A24-V27 HydrophobicContact CB-CB 4.36Å; A24-V27 HydrophobicContact CB-CG2 4.05Å; A24-V27 PolarHBondContact O-N 2.85Å; I25-V27 PolarHBondContact O-N 2.94Å; V27-Q30 PolarHBondContact O-N 2.88Å; V27-A31 WeakPolarHBondContact O-CB 3.39Å; V27-A31 PolarHBondContact O-N 3.11Å; V27-Q75 HydrophobicContact CB-CB 4.24Å; V27-Q75 HydrophobicContact CG1-CB 3.64Å
28	L	87	Confident	83.2	Confident	18 Å²	18	77.4 Å²	77.4	9%	0.094	42%	0.423	C	S	.	.	H	α-helix	trans	-63.1	-48.1	174.3	178.5	64.6	0	0	0	111.5	W9 I16 A24 I25 S26 Q30 A31 L32 P78	W9-L28 HydrophobicContact CB-CD2 4.12Å; I16-L28 HydrophobicContact CD1-CD1 3.83Å; I16-L28 HydrophobicContact CD1-CD2 3.87Å; I16-L28 HydrophobicContact CD1-CG 4.34Å; I16-L28 HydrophobicContact CG1-CD1 4.1Å; I16-L28 HydrophobicContact CG2-CD1 4.48Å; A24-L28 WeakPolarHBondContact O-CB 3.45Å; A24-L28 PolarHBondContact O-N 2.98Å; I25-L28 WeakPolarHBondContact O-CB 3.46Å; I25-L28 PolarHBondContact O-N 2.89Å; S26-L28 VanDerWaalsContact C-N 3.31Å; L28-Q30 VanDerWaalsContact C-N 3.3Å; L28-Q30 PolarHBondContact O-N 3.1Å; L28-A31 PolarHBondContact O-N 3.12Å; L28-L32 HydrophobicContact CD1-CD1 4.12Å; L28-L32 HydrophobicContact CD1-CG 4.15Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 HydrophobicContact CG-CG 4.42Å; L28-L32 WeakPolarHBondContact O-CB 3.25Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.16Å; L28-L32 PolarHBondContact O-N 3.31Å; L28-P78 HydrophobicContact CD1-CB 3.92Å
29	H	86.9	Confident	81.8	Confident	65 Å²	65	74.2 Å²	74.2	30%	0.301	40%	0.404	S	S	.	.	H	α-helix	trans	-58.8	-43.7	175.2	-86.2	-82	0	0	0	111.7	D8 W9 I25 S26 A31 L32 S33	D8-H29 IonicContact OD2-ND1 2.77Å; W9-H29 AromaticContact CD1-NE2 3.83Å; I25-H29 PolarHBondContact O-CD2 2.99Å; I25-H29 VanDerWaalsContact O-CD2 3.28Å; I25-H29 PolarHBondContact O-N 3.43Å; S26-H29 PolarHBondContact O-N 3.41Å; H29-A31 PolarHBondContact O-N 3.45Å; H29-L32 PolarHBondContact O-N 3.12Å; H29-S33 PolarHBondContact O-N 3.18Å; H29-S33 PolarHBondContact O-OG 3.22Å
30	Q	86.6	Confident	80.8	Confident	110 Å²	110	75.3 Å²	75.3	51%	0.514	42%	0.416	S	S	.	.	H	α-helix	trans	-60.4	-46.3	176	-173.7	178.4	8.1	0	0	111.6	S26 V27 L28 L32 S33 Q34	S26-Q30 PolarHBondContact O-N 3.3Å; S26-Q30 VanDerWaalsContact O-N 3.08Å; V27-Q30 PolarHBondContact O-N 2.88Å; L28-Q30 VanDerWaalsContact C-N 3.3Å; L28-Q30 PolarHBondContact O-N 3.1Å; Q30-L32 PolarHBondContact O-N 3.42Å; Q30-S33 PolarHBondContact O-N 3.4Å; Q30-S33 PolarHBondContact O-OG 3.2Å; Q30-Q34 VanDerWaalsContact O-CG 3.27Å; Q30-Q34 WeakPolarHBondContact O-CG 3.46Å; Q30-Q34 PolarHBondContact O-N 3.19Å; Q30-Q34 VanDerWaalsContact O-N 3.08Å
31	A	83.9	Confident	80.2	Confident	6 Å²	6	70.6 Å²	70.6	5%	0.05	40%	0.402	C	S	.	.	H	α-helix	trans	-63.7	-40.1	178.8	0	0	0	0	0	112.5	V27 L28 H29 Q35 T76 P78	V27-A31 WeakPolarHBondContact O-CB 3.39Å; V27-A31 PolarHBondContact O-N 3.11Å; L28-A31 PolarHBondContact O-N 3.12Å; H29-A31 PolarHBondContact O-N 3.45Å; A31-Q35 PolarHBondContact O-N 3.33Å; A31-Q35 VanDerWaalsContact O-N 3.12Å; A31-T76 WeakPolarHBondContact CB-O 3.47Å; A31-P78 HydrophobicContact CB-CG 4.31Å
32	L	83.4	Confident	79.9	Confident	11 Å²	11	65.6 Å²	65.6	6%	0.058	39%	0.389	C	S	.	.	H	α-helix	trans	-66.7	-43.4	178.5	-69	175.3	0	0	0	111.9	W9 C12 L28 H29 Q30 Q35 Q36 P78	W9-L32 HydrophobicContact CB-CD1 3.93Å; C12-L32 HydrophobicContact CB-CD1 4.26Å; C12-L32 HydrophobicContact CB-CD2 3.5Å; C12-L32 VanDerWaalsContact CB-CD2 3.5Å; L28-L32 HydrophobicContact CD1-CD1 4.12Å; L28-L32 HydrophobicContact CD1-CG 4.15Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 HydrophobicContact CG-CG 4.42Å; L28-L32 WeakPolarHBondContact O-CB 3.25Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.16Å; L28-L32 PolarHBondContact O-N 3.31Å; H29-L32 PolarHBondContact O-N 3.12Å; Q30-L32 PolarHBondContact O-N 3.42Å; L32-Q35 PolarHBondContact O-N 3.18Å; L32-Q36 PolarHBondContact O-N 3.5Å; L32-P78 HydrophobicContact CD2-CG 4.35Å
33	S	81.6	Confident	79.6	Confident	51 Å²	51	64.3 Å²	64.3	36%	0.357	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-45	175.6	64.3	0	0	0	0	112.3	H29 Q30 Q35 Q36 E37	H29-S33 PolarHBondContact O-N 3.18Å; H29-S33 PolarHBondContact O-OG 3.22Å; Q30-S33 PolarHBondContact O-N 3.4Å; Q30-S33 PolarHBondContact O-OG 3.2Å; S33-Q35 VanDerWaalsContact C-N 3.27Å; S33-Q35 PolarHBondContact O-N 2.82Å; S33-Q36 PolarHBondContact O-N 3.05Å; S33-Q36 VanDerWaalsContact O-N 3.15Å; S33-E37 PolarHBondContact O-N 3.14Å; S33-E37 VanDerWaalsContact O-N 3.12Å
34	Q	78.4	Confident	79.2	Confident	43 Å²	43	65.3 Å²	65.3	20%	0.201	38%	0.382	C	S	.	.	H	α-helix	trans	-63	-32.5	178.3	-72.9	174.2	-4.9	0	0	113	Q30 G38 T43	Q30-Q34 VanDerWaalsContact O-CG 3.27Å; Q30-Q34 WeakPolarHBondContact O-CG 3.46Å; Q30-Q34 PolarHBondContact O-N 3.19Å; Q30-Q34 VanDerWaalsContact O-N 3.08Å; Q34-G38 PolarHBondContact O-N 3.41Å; Q34-T43 PolarHBondContact OE1-OG1 2.74Å
35	Q	74.9	Confident	79	Confident	90 Å²	90	69.5 Å²	69.5	42%	0.421	40%	0.395	S	S	.	.	H	α-helix	trans	-71.4	-35.9	177.2	-160.8	-175.8	-89.5	0	0	111.7	A31 L32 S33 G38 Q79	A31-Q35 PolarHBondContact O-N 3.33Å; A31-Q35 VanDerWaalsContact O-N 3.12Å; L32-Q35 PolarHBondContact O-N 3.18Å; S33-Q35 VanDerWaalsContact C-N 3.27Å; S33-Q35 PolarHBondContact O-N 2.82Å; Q35-G38 PolarHBondContact O-N 2.78Å; Q35-Q79 VanDerWaalsContact NE2-NE2 3.19Å
36	Q	70.1	Confident	79	Confident	173 Å²	173	68.3 Å²	68.3	81%	0.808	39%	0.387	S	S	*	.	H	α-helix	trans	-72	-35.6	178.5	-166.4	170.6	50.2	0	0	112.3	L32 S33 G38	L32-Q36 PolarHBondContact O-N 3.5Å; S33-Q36 PolarHBondContact O-N 3.05Å; S33-Q36 VanDerWaalsContact O-N 3.15Å; Q36-G38 VanDerWaalsContact C-N 3.26Å; Q36-G38 PolarHBondContact O-N 2.99Å
37	E	68.7	Low	78.9	Confident	151 Å²	151	65.5 Å²	65.5	71%	0.706	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.7	178.1	-67.6	-177.8	176.7	0	0	113.7	S33 S39	S33-E37 PolarHBondContact O-N 3.14Å; S33-E37 VanDerWaalsContact O-N 3.12Å; E37-S39 PolarHBondContact O-N 3.38Å
38	G	65.3	Low	78.8	Confident	63 Å²	63	69 Å²	69	65%	0.649	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	3.6	-178.4	0	0	0	0	0	114.7	Q34 Q35 Q36 S40	Q34-G38 PolarHBondContact O-N 3.41Å; Q35-G38 PolarHBondContact O-N 2.78Å; Q36-G38 VanDerWaalsContact C-N 3.26Å; Q36-G38 PolarHBondContact O-N 2.99Å; G38-S40 PolarHBondContact O-N 2.83Å; G38-S40 VanDerWaalsContact O-N 3.12Å
39	S	60.6	Low	78.8	Confident	52 Å²	52	70.5 Å²	70.5	36%	0.364	39%	0.392	S	S	.	.			trans	-86.8	77.3	-178.2	-169	0	0	0	0	111.1	E37 S41	E37-S39 PolarHBondContact O-N 3.38Å; S39-S41 PolarHBondContact O-N 2.74Å; S39-S41 PolarHBondContact OG-OG 3.27Å; S39-S41 VanDerWaalsContact OG-OG 3.07Å
40	S	67.2	Low	78.9	Confident	73 Å²	73	68.3 Å²	68.3	51%	0.51	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-0.7	170.5	56.9	0	0	0	0	113.7	G38 N44	G38-S40 PolarHBondContact O-N 2.83Å; G38-S40 VanDerWaalsContact O-N 3.12Å; S40-N44 WeakPolarHBondContact O-CB 3.43Å; S40-N44 VanDerWaalsContact O-CG 3.26Å; S40-N44 PolarHBondContact O-N 2.82Å; S40-N44 PolarHBondContact O-ND2 2.82Å
41	S	73.3	Confident	78.9	Confident	58 Å²	58	63.1 Å²	63.1	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-44	-174.1	67.2	0	0	0	0	112.8	S39 N44 Q45	S39-S41 PolarHBondContact O-N 2.74Å; S39-S41 PolarHBondContact OG-OG 3.27Å; S39-S41 VanDerWaalsContact OG-OG 3.07Å; S41-N44 PolarHBondContact O-N 3.2Å; S41-Q45 VanDerWaalsContact O-CG 3.29Å; S41-Q45 WeakPolarHBondContact O-CG 3.29Å; S41-Q45 PolarHBondContact O-N 3.09Å
42	A	79.9	Confident	78.9	Confident	45 Å²	45	63.4 Å²	63.4	37%	0.372	36%	0.359	S	S	.	.	H	α-helix	trans	-65.9	-44.2	-180	0	0	0	0	0	111.8	N44 Q45 H46	A42-N44 VanDerWaalsContact C-N 3.33Å; A42-N44 PolarHBondContact O-N 2.95Å; A42-Q45 PolarHBondContact O-N 3.25Å; A42-H46 PolarHBondContact O-N 3.19Å
43	T	81.8	Confident	79.1	Confident	15 Å²	15	65.7 Å²	65.7	9%	0.092	37%	0.37	C	S	.	.	H	α-helix	trans	-61.1	-42.3	175.9	-53	0	0	0	0	111.8	Q34 H46 K47 W72 T76 Y77	Q34-T43 PolarHBondContact OE1-OG1 2.74Å; T43-H46 PolarHBondContact O-N 2.95Å; T43-K47 WeakPolarHBondContact O-CB 3.37Å; T43-K47 PolarHBondContact O-N 3.11Å; T43-W72 HydrophobicContact CG2-CH2 3.95Å; T43-W72 HydrophobicContact CG2-CZ2 4.01Å; T43-W72 WeakPolarHBondContact O-CH2 3.34Å; T43-T76 HydrophobicContact CG2-CG2 3.54Å; T43-Y77 HydrophobicContact CG2-CE1 4.49Å; T43-Y77 HydrophobicContact CG2-CE2 4.13Å; T43-Y77 WeakPolarHBondContact CG2-OH 3.44Å
44	N	82.4	Confident	79.3	Confident	72 Å²	72	64.8 Å²	64.8	39%	0.385	36%	0.361	S	S	.	.	H	α-helix	trans	-66.9	-38.4	177	-74.4	-35.9	0	0	0	112.5	S40 S41 A42 H46 K47 Q48	S40-N44 WeakPolarHBondContact O-CB 3.43Å; S40-N44 VanDerWaalsContact O-CG 3.26Å; S40-N44 PolarHBondContact O-N 2.82Å; S40-N44 PolarHBondContact O-ND2 2.82Å; S41-N44 PolarHBondContact O-N 3.2Å; A42-N44 VanDerWaalsContact C-N 3.33Å; A42-N44 PolarHBondContact O-N 2.95Å; N44-H46 VanDerWaalsContact C-N 3.35Å; N44-K47 WeakPolarHBondContact O-CB 3.4Å; N44-K47 PolarHBondContact O-N 2.78Å; N44-Q48 WeakPolarHBondContact O-CG 3.39Å; N44-Q48 PolarHBondContact O-N 3.37Å
45	Q	85.1	Confident	79.5	Confident	123 Å²	123	63.9 Å²	63.9	58%	0.575	36%	0.355	S	S	*	.	H	α-helix	trans	-63	-42.9	174.2	-73.2	169.6	26.8	0	0	111.4	S41 A42 K47 Q48 A49	S41-Q45 VanDerWaalsContact O-CG 3.29Å; S41-Q45 WeakPolarHBondContact O-CG 3.29Å; S41-Q45 PolarHBondContact O-N 3.09Å; A42-Q45 PolarHBondContact O-N 3.25Å; Q45-K47 VanDerWaalsContact C-N 3.34Å; Q45-K47 PolarHBondContact O-N 2.9Å; Q45-Q48 WeakPolarHBondContact O-CB 3.14Å; Q45-Q48 PolarHBondContact O-N 3.44Å; Q45-A49 PolarHBondContact O-N 2.8Å
46	H	86	Confident	79.7	Confident	93 Å²	93	60.7 Å²	60.7	43%	0.431	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-38.5	178.2	-147.5	78.4	0	0	0	111.7	A42 T43 N44 Q48 A49 F50 W72	A42-H46 PolarHBondContact O-N 3.19Å; T43-H46 PolarHBondContact O-N 2.95Å; N44-H46 VanDerWaalsContact C-N 3.35Å; H46-Q48 PolarHBondContact O-N 3.2Å; H46-A49 WeakPolarHBondContact O-CB 3.46Å; H46-A49 PolarHBondContact O-N 2.77Å; H46-F50 AromaticContact CD2-CD2 3.97Å; H46-F50 AromaticContact CD2-CE2 3.44Å; H46-F50 VanDerWaalsContact CD2-CE2 3.44Å; H46-F50 WeakPolarHBondContact CD2-CE2 3.22Å; H46-F50 AromaticContact NE2-CE2 3.65Å; H46-F50 WeakPolarHBondContact O-CD2 3.21Å; H46-F50 PolarHBondContact O-N 3.38Å; H46-F50 VanDerWaalsContact O-N 3.13Å; H46-W72 HydrophobicContact CB-CH2 4.42Å; H46-W72 HydrophobicContact CB-CZ2 3.74Å; H46-W72 AromaticContact CD2-CD1 3.74Å; H46-W72 AromaticContact CD2-CE2 3.43Å; H46-W72 VanDerWaalsContact CD2-CE2 3.43Å; H46-W72 AromaticContact CD2-CZ2 3.83Å; H46-W72 AromaticContact CD2-NE1 3.17Å; H46-W72 PolarHBondContact CD2-NE1 3.37Å; H46-W72 AromaticContact NE2-NE1 3.8Å
47	K	86.4	Confident	80.3	Confident	33 Å²	33	56.3 Å²	56.3	14%	0.143	32%	0.319	C	S	.	.	H	α-helix	trans	-58.5	-45	170.4	-168.3	-177.2	177.6	173.8	0	112.2	T43 N44 Q45 A49 F50 E51 Y69 W72 N85	T43-K47 WeakPolarHBondContact O-CB 3.37Å; T43-K47 PolarHBondContact O-N 3.11Å; N44-K47 WeakPolarHBondContact O-CB 3.4Å; N44-K47 PolarHBondContact O-N 2.78Å; Q45-K47 VanDerWaalsContact C-N 3.34Å; Q45-K47 PolarHBondContact O-N 2.9Å; K47-A49 VanDerWaalsContact C-N 3.33Å; K47-F50 PolarHBondContact O-N 3.05Å; K47-E51 WeakPolarHBondContact O-CG 3.48Å; K47-E51 PolarHBondContact O-N 3.16Å; K47-E51 VanDerWaalsContact O-N 3.08Å; K47-Y69 WeakPolarHBondContact CE-OH 3.19Å; K47-Y69 HydrophobicContact CG-CE2 4.25Å; K47-Y69 WeakPolarHBondContact CG-OH 3.45Å; K47-W72 HydrophobicContact CB-CH2 3.9Å; K47-W72 HydrophobicContact CB-CZ3 4.15Å; K47-W72 HydrophobicContact CG-CZ3 4.41Å; K47-N85 PolarHBondContact NZ-ND2 3.27Å
48	Q	84.7	Confident	80.6	Confident	104 Å²	104	57 Å²	57	49%	0.486	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-36.8	177.7	-75.8	177.6	-7.9	0	0	112.3	N44 Q45 H46 E51 S52	N44-Q48 WeakPolarHBondContact O-CG 3.39Å; N44-Q48 PolarHBondContact O-N 3.37Å; Q45-Q48 WeakPolarHBondContact O-CB 3.14Å; Q45-Q48 PolarHBondContact O-N 3.44Å; H46-Q48 PolarHBondContact O-N 3.2Å; Q48-E51 PolarHBondContact O-N 2.9Å; Q48-S52 PolarHBondContact O-N 3.34Å; Q48-S52 PolarHBondContact O-OG 3.46Å
49	A	87.3	Confident	81.4	Confident	50 Å²	50	55.7 Å²	55.7	41%	0.413	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-42.4	175.9	0	0	0	0	0	111.9	Q45 H46 K47 S52 E53	Q45-A49 PolarHBondContact O-N 2.8Å; H46-A49 WeakPolarHBondContact O-CB 3.46Å; H46-A49 PolarHBondContact O-N 2.77Å; K47-A49 VanDerWaalsContact C-N 3.33Å; A49-S52 PolarHBondContact O-N 3.37Å; A49-S52 PolarHBondContact O-OG 3.18Å; A49-E53 WeakPolarHBondContact O-CB 3.48Å; A49-E53 PolarHBondContact O-N 3.31Å
50	F	89.1	Confident	82.4	Confident	18 Å²	18	60.3 Å²	60.3	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-41.2	173.6	-80.5	-63.1	0	0	0	112.7	H46 K47 S52 E53 L54 R68 Y69 W72	H46-F50 AromaticContact CD2-CD2 3.97Å; H46-F50 AromaticContact CD2-CE2 3.44Å; H46-F50 VanDerWaalsContact CD2-CE2 3.44Å; H46-F50 WeakPolarHBondContact CD2-CE2 3.22Å; H46-F50 AromaticContact NE2-CE2 3.65Å; H46-F50 WeakPolarHBondContact O-CD2 3.21Å; H46-F50 PolarHBondContact O-N 3.38Å; H46-F50 VanDerWaalsContact O-N 3.13Å; K47-F50 PolarHBondContact O-N 3.05Å; F50-S52 VanDerWaalsContact C-N 3.31Å; F50-S52 PolarHBondContact O-N 2.87Å; F50-E53 PolarHBondContact O-N 3.17Å; F50-L54 WeakPolarHBondContact O-CG 3.47Å; F50-L54 PolarHBondContact O-N 3.3Å; F50-R68 HydrophobicContact CE1-CB 4.26Å; F50-Y69 HydrophobicContact CB-CD1 4.14Å; F50-Y69 HydrophobicContact CB-CD2 3.55Å; F50-Y69 HydrophobicContact CB-CE1 4.33Å; F50-Y69 HydrophobicContact CB-CE2 3.78Å; F50-Y69 HydrophobicContact CB-CG 3.78Å; F50-Y69 HydrophobicContact CD1-CD2 4.29Å; F50-Y69 HydrophobicContact CD1-CG 4.3Å; F50-Y69 AromaticContact CD2-CD2 3.59Å; F50-Y69 HydrophobicContact CD2-CD2 3.59Å; F50-Y69 HydrophobicContact CD2-CE2 4.07Å; F50-Y69 HydrophobicContact CD2-CG 4.37Å; F50-Y69 HydrophobicContact CE2-CD2 4.32Å; F50-Y69 AromaticContact CG-CD2 3.56Å; F50-Y69 HydrophobicContact CG-CD2 3.56Å; F50-Y69 HydrophobicContact CG-CE2 4.17Å; F50-Y69 AromaticContact CG-CG 3.93Å; F50-Y69 HydrophobicContact CG-CG 3.93Å; F50-W72 HydrophobicContact CD2-CD2 4.14Å; F50-W72 HydrophobicContact CD2-CE3 4.08Å; F50-W72 HydrophobicContact CD2-CG 4.45Å; F50-W72 HydrophobicContact CE2-CB 3.89Å; F50-W72 AromaticContact CE2-CD2 3.72Å; F50-W72 HydrophobicContact CE2-CD2 3.72Å; F50-W72 HydrophobicContact CE2-CE3 4.1Å; F50-W72 AromaticContact CE2-CG 3.6Å; F50-W72 HydrophobicContact CE2-CG 3.6Å; F50-W72 HydrophobicContact CZ-CB 4.17Å; F50-W72 HydrophobicContact CZ-CG 4.28Å
51	E	86.6	Confident	83.4	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-69.1	-28.7	177.5	-69.8	-84.6	-158.4	0	0	112.3	K47 Q48 R55 Y69 R92 A389	K47-E51 WeakPolarHBondContact O-CG 3.48Å; K47-E51 PolarHBondContact O-N 3.16Å; K47-E51 VanDerWaalsContact O-N 3.08Å; Q48-E51 PolarHBondContact O-N 2.9Å; E51-R55 WeakPolarHBondContact O-CG 3.49Å; E51-R55 PolarHBondContact O-NH1 3.46Å; E51-Y69 HydrophobicContact CG-CE1 4.33Å; E51-R92 IonicContact OE1-CZ 2.73Å; E51-R92 IonicContact OE1-NH1 2.71Å; E51-R92 PolarHBondContact OE1-NH1 3.45Å; E51-R92 IonicContact OE1-NH2 3.27Å; E51-R92 IonicContact OE2-CZ 2.81Å; E51-R92 IonicContact OE2-NH1 3.88Å; E51-R92 PolarHBondContact OE2-NH1 2.88Å; E51-R92 IonicContact OE2-NH2 2.74Å; E51-R92 PolarHBondContact OE2-NH2 3.41Å; E51-A389 PolarHBondContact OE1-N 2.95Å
52	S	84.1	Confident	84.1	Confident	12 Å²	12	57.8 Å²	57.8	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-75.3	-41.4	171.2	68.8	0	0	0	0	111.5	Q48 A49 F50 L54 R55 V56 E400	Q48-S52 PolarHBondContact O-N 3.34Å; Q48-S52 PolarHBondContact O-OG 3.46Å; A49-S52 PolarHBondContact O-N 3.37Å; A49-S52 PolarHBondContact O-OG 3.18Å; F50-S52 VanDerWaalsContact C-N 3.31Å; F50-S52 PolarHBondContact O-N 2.87Å; S52-L54 PolarHBondContact O-N 3.4Å; S52-R55 PolarHBondContact O-N 3.45Å; S52-R55 VanDerWaalsContact O-N 3.16Å; S52-V56 WeakPolarHBondContact O-CG2 3.5Å; S52-V56 PolarHBondContact O-N 3.33Å; S52-V56 VanDerWaalsContact O-N 3.12Å; S52-E400 WeakPolarHBondContact CB-OE1 3.15Å; S52-E400 PolarHBondContact OG-OE1 3.44Å
53	E	87.7	Confident	84.5	Confident	59 Å²	59	55.6 Å²	55.6	28%	0.276	30%	0.295	S	S	.	.	H	α-helix	trans	-54.4	-52.7	173.4	-168.2	177.5	173	0	0	110.1	A49 F50 R55 V56 Y57 V65 R68	A49-E53 WeakPolarHBondContact O-CB 3.48Å; A49-E53 PolarHBondContact O-N 3.31Å; F50-E53 PolarHBondContact O-N 3.17Å; E53-R55 PolarHBondContact O-N 3.01Å; E53-V56 PolarHBondContact O-N 3.08Å; E53-Y57 WeakPolarHBondContact O-CA 3.37Å; E53-Y57 WeakPolarHBondContact O-CB 3.29Å; E53-Y57 PolarHBondContact O-N 3.13Å; E53-V65 HydrophobicContact CB-CG1 4.22Å; E53-V65 HydrophobicContact CG-CG1 3.86Å; E53-V65 HydrophobicContact CG-CG2 4.33Å; E53-R68 IonicContact OE1-CZ 3.58Å; E53-R68 IonicContact OE1-NH1 3.7Å; E53-R68 PolarHBondContact OE1-NH1 2.8Å; E53-R68 IonicContact OE1-NH2 2.76Å; E53-R68 PolarHBondContact OE1-NH2 3.38Å; E53-R68 IonicContact OE2-NH1 2.74Å; E53-R68 PolarHBondContact OE2-NH1 2.91Å
54	L	86.1	Confident	85	Confident	32 Å²	32	57.3 Å²	57.3	17%	0.168	30%	0.304	C	S	.	.	H	α-helix	trans	-55.2	-29.4	179.1	-77.7	176.2	0	0	0	115	F50 S52 V65 W66 Y69	F50-L54 WeakPolarHBondContact O-CG 3.47Å; F50-L54 PolarHBondContact O-N 3.3Å; S52-L54 PolarHBondContact O-N 3.4Å; L54-V65 HydrophobicContact CD2-CB 3.8Å; L54-V65 HydrophobicContact CD2-CG1 3.51Å; L54-V65 HydrophobicContact CG-CG1 3.8Å; L54-W66 HydrophobicContact CD1-CD2 4.19Å; L54-W66 HydrophobicContact CD1-CE3 4.08Å; L54-W66 HydrophobicContact CD1-CH2 4.01Å; L54-W66 HydrophobicContact CD1-CZ2 4.07Å; L54-W66 HydrophobicContact CD1-CZ3 4.02Å; L54-W66 HydrophobicContact CD2-CD2 3.73Å; L54-W66 VanDerWaalsContact CD2-CE2 3.48Å; L54-W66 HydrophobicContact CD2-CE3 4.45Å; L54-W66 HydrophobicContact CD2-CG 3.9Å; L54-W66 HydrophobicContact CD2-CZ2 4.02Å; L54-Y69 HydrophobicContact CD1-CD1 3.84Å; L54-Y69 HydrophobicContact CD1-CE1 4.17Å
55	R	81.8	Confident	85.4	Confident	23 Å²	23	53.9 Å²	53.9	9%	0.087	29%	0.286	C	S	.	.	H	α-helix	trans	-90.5	-26.9	-177.2	-69.5	-166.7	-158.2	99.5	-15.4	114.2	E51 S52 E53 L384 S387 S390 F392	E51-R55 WeakPolarHBondContact O-CG 3.49Å; E51-R55 PolarHBondContact O-NH1 3.46Å; S52-R55 PolarHBondContact O-N 3.45Å; S52-R55 VanDerWaalsContact O-N 3.16Å; E53-R55 PolarHBondContact O-N 3.01Å; R55-L384 HydrophobicContact CB-CD2 4.13Å; R55-L384 WeakPolarHBondContact CD-O 3.44Å; R55-L384 PolarHBondContact NE-O 3.29Å; R55-L384 WeakPolarHBondContact O-CD2 3.36Å; R55-S387 PolarHBondContact NE-O 3.27Å; R55-S387 PolarHBondContact NE-OG 3.35Å; R55-S387 PolarHBondContact NH2-O 3.45Å; R55-S390 PolarHBondContact NH2-O 3.49Å; R55-F392 VanDerWaalsContact NH1-CE1 3.29Å
56	V	79.2	Confident	85.7	Confident	24 Å²	24	49 Å²	49	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-116.5	10	-174.8	-152.2	0	0	0	0	111.2	S52 E53 D58 E400 Q404	S52-V56 WeakPolarHBondContact O-CG2 3.5Å; S52-V56 PolarHBondContact O-N 3.33Å; S52-V56 VanDerWaalsContact O-N 3.12Å; E53-V56 PolarHBondContact O-N 3.08Å; V56-D58 PolarHBondContact O-N 2.94Å; V56-E400 HydrophobicContact CG2-CB 4.32Å; V56-Q404 PolarHBondContact O-NE2 3.38Å
57	Y	83.2	Confident	86	Confident	80 Å²	80	45.2 Å²	45.2	31%	0.314	25%	0.245	S	C	.	.			trans	-67.4	123.7	172.7	-172.6	-97.8	0	0	0	109.6	E53 G59 D61 P62 V65	E53-Y57 WeakPolarHBondContact O-CA 3.37Å; E53-Y57 WeakPolarHBondContact O-CB 3.29Å; E53-Y57 PolarHBondContact O-N 3.13Å; Y57-G59 VanDerWaalsContact CE1-C 3.42Å; Y57-G59 VanDerWaalsContact CE1-CA 3.4Å; Y57-G59 VanDerWaalsContact CE1-O 3.25Å; Y57-G59 WeakPolarHBondContact CE1-O 2.91Å; Y57-D61 PolarHBondContact OH-N 2.99Å; Y57-D61 PolarHBondContact OH-O 3.27Å; Y57-P62 HydrophobicContact CD1-CB 4.17Å; Y57-P62 HydrophobicContact CE1-CB 4.24Å; Y57-V65 HydrophobicContact CD2-CG2 3.56Å; Y57-V65 HydrophobicContact CE2-CG2 3.67Å; Y57-V65 HydrophobicContact CG-CG2 4Å
58	D	75.6	Confident	86.3	Confident	165 Å²	165	47.8 Å²	47.8	88%	0.882	25%	0.254	S	S	*	.			trans	-122.9	22.7	179	-161.5	29.3	0	0	0	110.7	V56	V56-D58 PolarHBondContact O-N 2.94Å
59	G	81.4	Confident	86.6	Confident	37 Å²	37	43.1 Å²	43.1	38%	0.381	23%	0.232	S	C	.	.	S	Bend	trans	-89.5	172.4	179.6	0	0	0	0	0	113.3	Y57 D61	Y57-G59 VanDerWaalsContact CE1-C 3.42Å; Y57-G59 VanDerWaalsContact CE1-CA 3.4Å; Y57-G59 VanDerWaalsContact CE1-O 3.25Å; Y57-G59 WeakPolarHBondContact CE1-O 2.91Å; G59-D61 VanDerWaalsContact C-N 3.33Å; G59-D61 PolarHBondContact O-N 3.17Å
60	D	82.1	Confident	86.8	Confident	148 Å²	148	40.7 Å²	40.7	79%	0.791	21%	0.212	S	C	*	.	S	Bend	trans	-74.3	-19	-174.8	-64.4	-39.6	0	0	0	114.6	K102	D60-K102 PolarHBondContact O-NZ 3.37Å; D60-K102 VanDerWaalsContact O-NZ 3.1Å
61	D	87.8	Confident	86.9	Confident	38 Å²	38	44.2 Å²	44.2	20%	0.203	23%	0.227	C	C	.	.			trans	-129	78.2	-176.3	-168	19.6	0	0	0	113.8	Y57 G59 L63 D64 Y103 R108	Y57-D61 PolarHBondContact OH-N 2.99Å; Y57-D61 PolarHBondContact OH-O 3.27Å; G59-D61 VanDerWaalsContact C-N 3.33Å; G59-D61 PolarHBondContact O-N 3.17Å; D61-L63 PolarHBondContact O-N 2.97Å; D61-L63 WeakPolarHBondContact OD1-CB 3.36Å; D61-L63 PolarHBondContact OD1-N 3.43Å; D61-D64 PolarHBondContact O-N 2.57Å; D61-Y103 VanDerWaalsContact OD1-CE1 3.22Å; D61-Y103 WeakPolarHBondContact OD1-CE1 3.39Å; D61-Y103 PolarHBondContact OD1-OH 3.05Å; D61-R108 IonicContact OD1-NH2 3.64Å; D61-R108 IonicContact OD2-CZ 3.37Å; D61-R108 VanDerWaalsContact OD2-CZ 3.24Å; D61-R108 IonicContact OD2-NH1 2.65Å; D61-R108 PolarHBondContact OD2-NH1 3.49Å; D61-R108 IonicContact OD2-NH2 2.7Å; D61-R108 PolarHBondContact OD2-NH2 2.99Å
62	P	87.4	Confident	87.1	Confident	40 Å²	40	45.9 Å²	45.9	26%	0.26	23%	0.233	S	C	.	.	H	α-helix	trans	-59.1	-26.6	176.1	22.4	-35.7	0	0	0	113.8	Y57 D64 V65 F97 Y103	Y57-P62 HydrophobicContact CD1-CB 4.17Å; Y57-P62 HydrophobicContact CE1-CB 4.24Å; P62-D64 VanDerWaalsContact C-N 3.28Å; P62-D64 PolarHBondContact O-N 3.08Å; P62-V65 PolarHBondContact O-N 2.8Å; P62-F97 HydrophobicContact CB-CE1 4.18Å; P62-F97 HydrophobicContact CB-CZ 4.18Å; P62-F97 HydrophobicContact CG-CE1 3.93Å; P62-F97 HydrophobicContact CG-CZ 4.39Å; P62-Y103 WeakPolarHBondContact CD-OH 3.37Å
63	L	89.6	Confident	87.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-32.4	-179.5	-178.1	66.1	0	0	0	112.4	D61 V65 W66 D67 F97 Y103 D106 R108 Y109 L112	D61-L63 PolarHBondContact O-N 2.97Å; D61-L63 WeakPolarHBondContact OD1-CB 3.36Å; D61-L63 PolarHBondContact OD1-N 3.43Å; L63-V65 VanDerWaalsContact C-N 3.31Å; L63-V65 PolarHBondContact O-N 2.97Å; L63-W66 PolarHBondContact O-N 3.22Å; L63-D67 PolarHBondContact O-N 3.42Å; L63-F97 HydrophobicContact CB-CE2 4.49Å; L63-F97 HydrophobicContact CB-CZ 4.3Å; L63-F97 HydrophobicContact CD1-CD2 3.9Å; L63-F97 HydrophobicContact CD1-CE2 3.75Å; L63-F97 HydrophobicContact CD1-CZ 4.39Å; L63-Y103 HydrophobicContact CB-CD1 4.02Å; L63-Y103 HydrophobicContact CB-CE1 3.78Å; L63-Y103 HydrophobicContact CD2-CD1 3.49Å; L63-Y103 VanDerWaalsContact CD2-CD1 3.49Å; L63-Y103 HydrophobicContact CD2-CE1 4.03Å; L63-Y103 HydrophobicContact CD2-CG 4.1Å; L63-Y103 HydrophobicContact CG-CD1 4.36Å; L63-D106 HydrophobicContact CD2-CB 4.27Å; L63-R108 HydrophobicContact CD2-CB 4.16Å; L63-Y109 HydrophobicContact CD1-CD2 4.02Å; L63-L112 HydrophobicContact CD1-CD1 3.81Å
64	D	90.6	Very high	87.4	Confident	50 Å²	50	44.4 Å²	44.4	27%	0.267	23%	0.225	S	C	.	.	H	α-helix	trans	-59	-42.3	179.2	178.5	71.2	0	0	0	112.3	D61 P62 W66 D67 R68 R108	D61-D64 PolarHBondContact O-N 2.57Å; P62-D64 VanDerWaalsContact C-N 3.28Å; P62-D64 PolarHBondContact O-N 3.08Å; D64-W66 VanDerWaalsContact C-N 3.3Å; D64-W66 PolarHBondContact O-N 3.37Å; D64-D67 PolarHBondContact O-N 2.92Å; D64-R68 WeakPolarHBondContact O-CB 3.18Å; D64-R68 WeakPolarHBondContact O-CG 3.46Å; D64-R68 PolarHBondContact O-N 3.43Å; D64-R68 IonicContact OD2-CZ 3.87Å; D64-R68 IonicContact OD2-NE 2.7Å; D64-R68 PolarHBondContact OD2-NE 3.29Å; D64-R68 IonicContact OD2-NH2 2.69Å; D64-R68 PolarHBondContact OD2-NH2 3.35Å; D64-R68 VanDerWaalsContact OD2-NH2 3.17Å; D64-R108 IonicContact OD1-NH1 3.46Å
65	V	91.6	Very high	87.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-40.6	179.1	-172.2	0	0	0	0	110.3	E53 L54 Y57 P62 L63 Y69	E53-V65 HydrophobicContact CB-CG1 4.22Å; E53-V65 HydrophobicContact CG-CG1 3.86Å; E53-V65 HydrophobicContact CG-CG2 4.33Å; L54-V65 HydrophobicContact CD2-CB 3.8Å; L54-V65 HydrophobicContact CD2-CG1 3.51Å; L54-V65 HydrophobicContact CG-CG1 3.8Å; Y57-V65 HydrophobicContact CD2-CG2 3.56Å; Y57-V65 HydrophobicContact CE2-CG2 3.67Å; Y57-V65 HydrophobicContact CG-CG2 4Å; P62-V65 PolarHBondContact O-N 2.8Å; L63-V65 VanDerWaalsContact C-N 3.31Å; L63-V65 PolarHBondContact O-N 2.97Å; V65-Y69 WeakPolarHBondContact O-CB 3.29Å; V65-Y69 PolarHBondContact O-N 3.04Å
66	W	91.7	Very high	87.7	Confident	21 Å²	21	46 Å²	46	8%	0.08	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-44.8	176.3	-69	97.9	0	0	0	112.5	L54 L63 D64 Y69 V70 L89 R92 A93 F97	L54-W66 HydrophobicContact CD1-CD2 4.19Å; L54-W66 HydrophobicContact CD1-CE3 4.08Å; L54-W66 HydrophobicContact CD1-CH2 4.01Å; L54-W66 HydrophobicContact CD1-CZ2 4.07Å; L54-W66 HydrophobicContact CD1-CZ3 4.02Å; L54-W66 HydrophobicContact CD2-CD2 3.73Å; L54-W66 VanDerWaalsContact CD2-CE2 3.48Å; L54-W66 HydrophobicContact CD2-CE3 4.45Å; L54-W66 HydrophobicContact CD2-CG 3.9Å; L54-W66 HydrophobicContact CD2-CZ2 4.02Å; L63-W66 PolarHBondContact O-N 3.22Å; D64-W66 VanDerWaalsContact C-N 3.3Å; D64-W66 PolarHBondContact O-N 3.37Å; W66-Y69 PolarHBondContact O-N 2.89Å; W66-V70 WeakPolarHBondContact O-CB 3.34Å; W66-V70 WeakPolarHBondContact O-CG2 3.39Å; W66-V70 PolarHBondContact O-N 3.03Å; W66-L89 HydrophobicContact CE3-CD1 3.93Å; W66-L89 HydrophobicContact CZ3-CD1 3.7Å; W66-R92 HydrophobicContact CH2-CB 3.85Å; W66-R92 HydrophobicContact CZ3-CB 3.89Å; W66-A93 HydrophobicContact CB-CB 4.36Å; W66-A93 HydrophobicContact CD2-CB 3.89Å; W66-A93 HydrophobicContact CE3-CB 3.45Å; W66-A93 VanDerWaalsContact CE3-CB 3.45Å; W66-A93 HydrophobicContact CG-CB 4.3Å; W66-A93 HydrophobicContact CZ3-CB 3.97Å; W66-F97 AromaticContact CD1-CE2 3.4Å; W66-F97 AromaticContact CD1-CZ 3.45Å; W66-F97 VanDerWaalsContact CD1-CZ 3.45Å; W66-F97 HydrophobicContact CG-CE2 4.03Å; W66-F97 HydrophobicContact CG-CZ 4.46Å; W66-F97 AromaticContact NE1-CE2 3.66Å; W66-F97 AromaticContact NE1-CZ 3.58Å
67	D	91.9	Very high	88.1	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.064	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-45.1	178.1	178.8	54.9	0	0	0	111.4	L63 D64 Y69 V70 K71	L63-D67 PolarHBondContact O-N 3.42Å; D64-D67 PolarHBondContact O-N 2.92Å; D67-Y69 VanDerWaalsContact C-N 3.34Å; D67-Y69 PolarHBondContact O-N 3.02Å; D67-V70 PolarHBondContact O-N 2.81Å; D67-K71 WeakPolarHBondContact O-CB 3.17Å; D67-K71 WeakPolarHBondContact O-CG 3.47Å; D67-K71 PolarHBondContact O-N 3.5Å; D67-K71 WeakPolarHBondContact OD1-CE 3.46Å; D67-K71 IonicContact OD1-NZ 2.74Å; D67-K71 PolarHBondContact OD1-NZ 2.83Å; D67-K71 WeakPolarHBondContact OD2-CE 3.38Å; D67-K71 IonicContact OD2-NZ 3.65Å; D67-K71 PolarHBondContact OD2-NZ 3.39Å
68	R	92.6	Very high	88.1	Confident	88 Å²	88	43.3 Å²	43.3	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-59.6	-44.8	173.3	-76.1	-167.7	-75.1	123.9	-2.4	111.8	F50 E53 D64 K71 W72	F50-R68 HydrophobicContact CE1-CB 4.26Å; E53-R68 IonicContact OE1-CZ 3.58Å; E53-R68 IonicContact OE1-NH1 3.7Å; E53-R68 PolarHBondContact OE1-NH1 2.8Å; E53-R68 IonicContact OE1-NH2 2.76Å; E53-R68 PolarHBondContact OE1-NH2 3.38Å; E53-R68 IonicContact OE2-NH1 2.74Å; E53-R68 PolarHBondContact OE2-NH1 2.91Å; D64-R68 WeakPolarHBondContact O-CB 3.18Å; D64-R68 WeakPolarHBondContact O-CG 3.46Å; D64-R68 PolarHBondContact O-N 3.43Å; D64-R68 IonicContact OD2-CZ 3.87Å; D64-R68 IonicContact OD2-NE 2.7Å; D64-R68 PolarHBondContact OD2-NE 3.29Å; D64-R68 IonicContact OD2-NH2 2.69Å; D64-R68 PolarHBondContact OD2-NH2 3.35Å; D64-R68 VanDerWaalsContact OD2-NH2 3.17Å; R68-K71 PolarHBondContact O-N 3.49Å; R68-W72 VanDerWaalsContact O-CB 3.29Å; R68-W72 WeakPolarHBondContact O-CB 3.36Å; R68-W72 PolarHBondContact O-N 3.23Å
69	Y	91.8	Very high	88.3	Confident	5 Å²	5	40.2 Å²	40.2	2%	0.02	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-40.2	-177.9	-174.7	-156.5	0	0	0	112.4	K47 F50 E51 L54 V65 W66 D67 W72 T73 L89	K47-Y69 WeakPolarHBondContact CE-OH 3.19Å; K47-Y69 HydrophobicContact CG-CE2 4.25Å; K47-Y69 WeakPolarHBondContact CG-OH 3.45Å; F50-Y69 HydrophobicContact CB-CD1 4.14Å; F50-Y69 HydrophobicContact CB-CD2 3.55Å; F50-Y69 HydrophobicContact CB-CE1 4.33Å; F50-Y69 HydrophobicContact CB-CE2 3.78Å; F50-Y69 HydrophobicContact CB-CG 3.78Å; F50-Y69 HydrophobicContact CD1-CD2 4.29Å; F50-Y69 HydrophobicContact CD1-CG 4.3Å; F50-Y69 AromaticContact CD2-CD2 3.59Å; F50-Y69 HydrophobicContact CD2-CD2 3.59Å; F50-Y69 HydrophobicContact CD2-CE2 4.07Å; F50-Y69 HydrophobicContact CD2-CG 4.37Å; F50-Y69 HydrophobicContact CE2-CD2 4.32Å; F50-Y69 AromaticContact CG-CD2 3.56Å; F50-Y69 HydrophobicContact CG-CD2 3.56Å; F50-Y69 HydrophobicContact CG-CE2 4.17Å; F50-Y69 AromaticContact CG-CG 3.93Å; F50-Y69 HydrophobicContact CG-CG 3.93Å; E51-Y69 HydrophobicContact CG-CE1 4.33Å; L54-Y69 HydrophobicContact CD1-CD1 3.84Å; L54-Y69 HydrophobicContact CD1-CE1 4.17Å; V65-Y69 WeakPolarHBondContact O-CB 3.29Å; V65-Y69 PolarHBondContact O-N 3.04Å; W66-Y69 PolarHBondContact O-N 2.89Å; D67-Y69 VanDerWaalsContact C-N 3.34Å; D67-Y69 PolarHBondContact O-N 3.02Å; Y69-W72 AromaticContact CD2-CE3 3.8Å; Y69-W72 HydrophobicContact CD2-CE3 3.8Å; Y69-W72 HydrophobicContact CD2-CZ3 4.27Å; Y69-W72 AromaticContact CE2-CE3 3.79Å; Y69-W72 HydrophobicContact CE2-CE3 3.79Å; Y69-W72 AromaticContact CE2-CZ3 3.77Å; Y69-W72 HydrophobicContact CE2-CZ3 3.77Å; Y69-T73 WeakPolarHBondContact O-CB 3.33Å; Y69-T73 PolarHBondContact O-N 3.2Å; Y69-T73 PolarHBondContact O-OG1 3.34Å; Y69-L89 HydrophobicContact CD1-CD1 3.37Å; Y69-L89 HydrophobicContact CD1-CD2 3.81Å; Y69-L89 HydrophobicContact CD1-CG 4.22Å; Y69-L89 HydrophobicContact CD2-CD2 4.31Å; Y69-L89 HydrophobicContact CE1-CD1 3.26Å; Y69-L89 HydrophobicContact CE1-CD2 3.91Å; Y69-L89 HydrophobicContact CE1-CG 4.23Å; Y69-L89 HydrophobicContact CE2-CD2 4.38Å; Y69-L89 HydrophobicContact CG-CD1 4.35Å; Y69-L89 HydrophobicContact CG-CD2 4Å
70	V	91.6	Very high	87.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-47.2	175.1	168.4	0	0	0	0	111.2	W66 D67 W72 T73 E74 L86 L89 L90 L112 K115	W66-V70 WeakPolarHBondContact O-CB 3.34Å; W66-V70 WeakPolarHBondContact O-CG2 3.39Å; W66-V70 PolarHBondContact O-N 3.03Å; D67-V70 PolarHBondContact O-N 2.81Å; V70-W72 VanDerWaalsContact C-N 3.34Å; V70-W72 PolarHBondContact O-N 2.76Å; V70-T73 PolarHBondContact O-N 2.78Å; V70-E74 WeakPolarHBondContact O-CG 3.42Å; V70-E74 PolarHBondContact O-N 3.32Å; V70-L86 HydrophobicContact CG1-CD1 4.13Å; V70-L89 HydrophobicContact CG2-CD2 3.77Å; V70-L89 HydrophobicContact CG2-CG 3.95Å; V70-L90 HydrophobicContact CG1-CD2 3.98Å; V70-L90 HydrophobicContact CG2-CD2 4.12Å; V70-L112 HydrophobicContact CB-CD2 4.02Å; V70-L112 HydrophobicContact CG1-CD2 3.95Å; V70-L112 HydrophobicContact CG2-CD2 3.79Å; V70-K115 HydrophobicContact CG1-CD 4.33Å
71	K	90.7	Very high	87.6	Confident	92 Å²	92	34.8 Å²	34.8	40%	0.4	18%	0.18	S	C	.	.	H	α-helix	trans	-60.7	-43	177	-75.7	170.5	176.9	165.5	0	112	D67 R68 E74 Q75	D67-K71 WeakPolarHBondContact O-CB 3.17Å; D67-K71 WeakPolarHBondContact O-CG 3.47Å; D67-K71 PolarHBondContact O-N 3.5Å; D67-K71 WeakPolarHBondContact OD1-CE 3.46Å; D67-K71 IonicContact OD1-NZ 2.74Å; D67-K71 PolarHBondContact OD1-NZ 2.83Å; D67-K71 WeakPolarHBondContact OD2-CE 3.38Å; D67-K71 IonicContact OD2-NZ 3.65Å; D67-K71 PolarHBondContact OD2-NZ 3.39Å; R68-K71 PolarHBondContact O-N 3.49Å; K71-E74 PolarHBondContact O-N 2.99Å; K71-Q75 VanDerWaalsContact O-CG 3.32Å; K71-Q75 WeakPolarHBondContact O-CG 3.29Å; K71-Q75 PolarHBondContact O-N 2.83Å; K71-Q75 VanDerWaalsContact O-N 3.14Å
72	W	91.1	Very high	86.9	Confident	37 Å²	37	41.5 Å²	41.5	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-47.9	174.7	173.1	81.3	0	0	0	111.1	T43 H46 K47 F50 R68 Y69 V70 E74 Q75 T76 Y77	T43-W72 HydrophobicContact CG2-CH2 3.95Å; T43-W72 HydrophobicContact CG2-CZ2 4.01Å; T43-W72 WeakPolarHBondContact O-CH2 3.34Å; H46-W72 HydrophobicContact CB-CH2 4.42Å; H46-W72 HydrophobicContact CB-CZ2 3.74Å; H46-W72 AromaticContact CD2-CD1 3.74Å; H46-W72 AromaticContact CD2-CE2 3.43Å; H46-W72 VanDerWaalsContact CD2-CE2 3.43Å; H46-W72 AromaticContact CD2-CZ2 3.83Å; H46-W72 AromaticContact CD2-NE1 3.17Å; H46-W72 PolarHBondContact CD2-NE1 3.37Å; H46-W72 AromaticContact NE2-NE1 3.8Å; K47-W72 HydrophobicContact CB-CH2 3.9Å; K47-W72 HydrophobicContact CB-CZ3 4.15Å; K47-W72 HydrophobicContact CG-CZ3 4.41Å; F50-W72 HydrophobicContact CD2-CD2 4.14Å; F50-W72 HydrophobicContact CD2-CE3 4.08Å; F50-W72 HydrophobicContact CD2-CG 4.45Å; F50-W72 HydrophobicContact CE2-CB 3.89Å; F50-W72 AromaticContact CE2-CD2 3.72Å; F50-W72 HydrophobicContact CE2-CD2 3.72Å; F50-W72 HydrophobicContact CE2-CE3 4.1Å; F50-W72 AromaticContact CE2-CG 3.6Å; F50-W72 HydrophobicContact CE2-CG 3.6Å; F50-W72 HydrophobicContact CZ-CB 4.17Å; F50-W72 HydrophobicContact CZ-CG 4.28Å; R68-W72 VanDerWaalsContact O-CB 3.29Å; R68-W72 WeakPolarHBondContact O-CB 3.36Å; R68-W72 PolarHBondContact O-N 3.23Å; Y69-W72 AromaticContact CD2-CE3 3.8Å; Y69-W72 HydrophobicContact CD2-CE3 3.8Å; Y69-W72 HydrophobicContact CD2-CZ3 4.27Å; Y69-W72 AromaticContact CE2-CE3 3.79Å; Y69-W72 HydrophobicContact CE2-CE3 3.79Å; Y69-W72 AromaticContact CE2-CZ3 3.77Å; Y69-W72 HydrophobicContact CE2-CZ3 3.77Å; V70-W72 VanDerWaalsContact C-N 3.34Å; V70-W72 PolarHBondContact O-N 2.76Å; W72-E74 VanDerWaalsContact C-N 3.33Å; W72-E74 PolarHBondContact O-N 3.44Å; W72-Q75 PolarHBondContact O-N 2.97Å; W72-Q75 VanDerWaalsContact O-N 3.14Å; W72-T76 HydrophobicContact CZ2-CG2 4.04Å; W72-T76 PolarHBondContact NE1-OG1 3.27Å; W72-T76 VanDerWaalsContact NE1-OG1 3.15Å; W72-T76 WeakPolarHBondContact O-CB 3.41Å; W72-T76 PolarHBondContact O-N 2.88Å; W72-T76 PolarHBondContact O-OG1 3.45Å; W72-Y77 HydrophobicContact CH2-CE2 4.37Å; W72-Y77 HydrophobicContact CZ3-CE2 4.4Å
73	T	89.9	Confident	86.1	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-41	179.8	-56.6	0	0	0	0	111.8	Y69 V70 Q75 Y77 S84 L86	Y69-T73 WeakPolarHBondContact O-CB 3.33Å; Y69-T73 PolarHBondContact O-N 3.2Å; Y69-T73 PolarHBondContact O-OG1 3.34Å; V70-T73 PolarHBondContact O-N 2.78Å; T73-Q75 PolarHBondContact O-N 3.18Å; T73-Y77 HydrophobicContact CG2-CD2 4.05Å; T73-Y77 HydrophobicContact CG2-CE2 4.36Å; T73-Y77 WeakPolarHBondContact O-CD2 3.19Å; T73-Y77 PolarHBondContact O-N 2.93Å; T73-S84 WeakPolarHBondContact CG2-O 3.34Å; T73-L86 HydrophobicContact CG2-CB 4.29Å; T73-L86 HydrophobicContact CG2-CD1 4.13Å
74	E	88.8	Confident	85.5	Confident	37 Å²	37	47.2 Å²	47.2	17%	0.173	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-41	175.9	-74.7	174.6	169.7	0	0	112.5	L19 R23 V70 K71 W72 L86 K115	L19-E74 HydrophobicContact CD1-CB 4.44Å; R23-E74 PolarHBondContact NH1-O 3.11Å; V70-E74 WeakPolarHBondContact O-CG 3.42Å; V70-E74 PolarHBondContact O-N 3.32Å; K71-E74 PolarHBondContact O-N 2.99Å; W72-E74 VanDerWaalsContact C-N 3.33Å; W72-E74 PolarHBondContact O-N 3.44Å; E74-L86 HydrophobicContact CG-CD1 4.36Å; E74-L86 HydrophobicContact CG-CD2 3.95Å; E74-K115 WeakPolarHBondContact OE1-CD 3.47Å; E74-K115 WeakPolarHBondContact OE1-CE 3.25Å; E74-K115 IonicContact OE1-NZ 2.8Å; E74-K115 PolarHBondContact OE1-NZ 3.19Å; E74-K115 IonicContact OE2-NZ 3.24Å; E74-K115 PolarHBondContact OE2-NZ 2.69Å
75	Q	87.1	Confident	85.2	Confident	73 Å²	73	48 Å²	48	34%	0.341	24%	0.236	S	C	.	.	H	α-helix	trans	-77.5	-39	-176.4	-66.2	177.7	-1.3	0	0	112.7	V27 K71 W72 T73	V27-Q75 HydrophobicContact CB-CB 4.24Å; V27-Q75 HydrophobicContact CG1-CB 3.64Å; K71-Q75 VanDerWaalsContact O-CG 3.32Å; K71-Q75 WeakPolarHBondContact O-CG 3.29Å; K71-Q75 PolarHBondContact O-N 2.83Å; K71-Q75 VanDerWaalsContact O-N 3.14Å; W72-Q75 PolarHBondContact O-N 2.97Å; W72-Q75 VanDerWaalsContact O-N 3.14Å; T73-Q75 PolarHBondContact O-N 3.18Å
76	T	86.6	Confident	85	Confident	16 Å²	16	49.2 Å²	49.2	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-75.4	-24.7	-176	-56.2	0	0	0	0	113.2	A31 T43 W72 P78	A31-T76 WeakPolarHBondContact CB-O 3.47Å; T43-T76 HydrophobicContact CG2-CG2 3.54Å; W72-T76 HydrophobicContact CZ2-CG2 4.04Å; W72-T76 PolarHBondContact NE1-OG1 3.27Å; W72-T76 VanDerWaalsContact NE1-OG1 3.15Å; W72-T76 WeakPolarHBondContact O-CB 3.41Å; W72-T76 PolarHBondContact O-N 2.88Å; W72-T76 PolarHBondContact O-OG1 3.45Å; T76-P78 WeakPolarHBondContact O-CD 3.47Å
77	Y	86.2	Confident	84.7	Confident	43 Å²	43	51.3 Å²	51.3	17%	0.169	26%	0.255	C	S	.	.			trans	-109.3	90.6	179.7	-65.8	-88.4	0	0	0	111.1	R23 T43 W72 T73 Q79 G80 E83	R23-Y77 PolarHBondContact NH2-O 2.9Å; T43-Y77 HydrophobicContact CG2-CE1 4.49Å; T43-Y77 HydrophobicContact CG2-CE2 4.13Å; T43-Y77 WeakPolarHBondContact CG2-OH 3.44Å; W72-Y77 HydrophobicContact CH2-CE2 4.37Å; W72-Y77 HydrophobicContact CZ3-CE2 4.4Å; T73-Y77 HydrophobicContact CG2-CD2 4.05Å; T73-Y77 HydrophobicContact CG2-CE2 4.36Å; T73-Y77 WeakPolarHBondContact O-CD2 3.19Å; T73-Y77 PolarHBondContact O-N 2.93Å; Y77-Q79 PolarHBondContact O-N 3.47Å; Y77-G80 PolarHBondContact O-N 3.2Å; Y77-E83 HydrophobicContact CE1-CB 4.49Å
78	P	83.8	Confident	84.4	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.032	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-38.4	-178.5	21.8	-31.2	0	0	0	113.3	N15 I16 Q17 R23 L28 A31 L32 T76 G80	N15-P78 CarbonylContact O-C 3.32Å; N15-P78 VanDerWaalsContact O-C 3.32Å; I16-P78 HydrophobicContact CG1-CB 4.22Å; Q17-P78 PolarHBondContact N-O 3.47Å; R23-P78 PolarHBondContact NH2-O 3.35Å; L28-P78 HydrophobicContact CD1-CB 3.92Å; A31-P78 HydrophobicContact CB-CG 4.31Å; L32-P78 HydrophobicContact CD2-CG 4.35Å; T76-P78 WeakPolarHBondContact O-CD 3.47Å; P78-G80 VanDerWaalsContact C-N 3.29Å; P78-G80 PolarHBondContact O-N 2.65Å
79	Q	79.1	Confident	84.3	Confident	100 Å²	100	49.8 Å²	49.8	47%	0.467	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.9	-177.7	-72.2	176.5	29.7	0	0	114.3	N15 Q35 Y77	N15-Q79 HydrophobicContact CB-CG 3.7Å; N15-Q79 WeakPolarHBondContact O-CA 3.4Å; N15-Q79 WeakPolarHBondContact O-CG 3.42Å; N15-Q79 PolarHBondContact O-N 2.95Å; Q35-Q79 VanDerWaalsContact NE2-NE2 3.19Å; Y77-Q79 PolarHBondContact O-N 3.47Å
80	G	75	Confident	84.2	Confident	17 Å²	17	49.7 Å²	49.7	18%	0.175	26%	0.255	C	S	.	.			trans	58.9	-168.1	-169.6	0	0	0	0	0	113	Y77 P78	Y77-G80 PolarHBondContact O-N 3.2Å; P78-G80 VanDerWaalsContact C-N 3.29Å; P78-G80 PolarHBondContact O-N 2.65Å
81	G	74.8	Confident	84	Confident	53 Å²	53	51.4 Å²	51.4	55%	0.546	26%	0.264	S	S	.	.	S	Bend	trans	87.6	-156.5	175.1	0	0	0	0	0	115.1	E83 S84	G81-E83 PolarHBondContact O-N 3.37Å; G81-S84 PolarHBondContact O-N 2.89Å; G81-S84 PolarHBondContact O-OG 3.45Å
82	K	72.1	Confident	83.8	Confident	180 Å²	180	49 Å²	49	78%	0.783	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-65	-33.6	-165.3	-65	179.6	-175.4	173.5	0	113.9	S84 N85	K82-S84 VanDerWaalsContact C-N 3.29Å; K82-S84 PolarHBondContact O-N 3.45Å; K82-N85 PolarHBondContact O-N 2.97Å; K82-N85 VanDerWaalsContact O-N 3.13Å; K82-N85 PolarHBondContact O-ND2 2.95Å; K82-N85 PolarHBondContact O-OD1 3.38Å
83	E	71.9	Confident	83.7	Confident	151 Å²	151	47.2 Å²	47.2	71%	0.706	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-61.7	-38.9	-179.4	-62.2	-56.5	133.5	0	0	111.9	Y77 G81 N85	Y77-E83 HydrophobicContact CE1-CB 4.49Å; G81-E83 PolarHBondContact O-N 3.37Å; E83-N85 VanDerWaalsContact C-N 3.25Å; E83-N85 PolarHBondContact O-N 2.76Å; E83-N85 PolarHBondContact O-ND2 2.95Å; E83-N85 VanDerWaalsContact O-ND2 3.09Å
84	S	77.1	Confident	83.6	Confident	8 Å²	8	47.2 Å²	47.2	6%	0.056	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-67.3	-24.9	178.2	72.9	0	0	0	0	113.2	T73 G81 K82 L86	T73-S84 WeakPolarHBondContact CG2-O 3.34Å; G81-S84 PolarHBondContact O-N 2.89Å; G81-S84 PolarHBondContact O-OG 3.45Å; K82-S84 VanDerWaalsContact C-N 3.29Å; K82-S84 PolarHBondContact O-N 3.45Å; S84-L86 PolarHBondContact O-N 3.27Å; S84-L86 VanDerWaalsContact O-N 3.09Å; S84-L86 WeakPolarHBondContact OG-CB 3.35Å; S84-L86 PolarHBondContact OG-N 2.96Å
85	N	83	Confident	83.4	Confident	66 Å²	66	48.9 Å²	48.9	35%	0.353	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	24.6	-169.9	-63.9	-82.2	0	0	0	113.9	K47 K82 E83 N87 V88 L89	K47-N85 PolarHBondContact NZ-ND2 3.27Å; K82-N85 PolarHBondContact O-N 2.97Å; K82-N85 VanDerWaalsContact O-N 3.13Å; K82-N85 PolarHBondContact O-ND2 2.95Å; K82-N85 PolarHBondContact O-OD1 3.38Å; E83-N85 VanDerWaalsContact C-N 3.25Å; E83-N85 PolarHBondContact O-N 2.76Å; E83-N85 PolarHBondContact O-ND2 2.95Å; E83-N85 VanDerWaalsContact O-ND2 3.09Å; N85-N87 PolarHBondContact O-N 3.45Å; N85-V88 PolarHBondContact O-N 3.03Å; N85-L89 PolarHBondContact O-N 3.02Å
86	L	87.3	Confident	83.2	Confident	27 Å²	27	48.4 Å²	48.4	14%	0.141	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-43.3	-173.7	-179.3	61.5	0	0	0	112.6	V70 T73 E74 S84 V88 L89 L90	V70-L86 HydrophobicContact CG1-CD1 4.13Å; T73-L86 HydrophobicContact CG2-CB 4.29Å; T73-L86 HydrophobicContact CG2-CD1 4.13Å; E74-L86 HydrophobicContact CG-CD1 4.36Å; E74-L86 HydrophobicContact CG-CD2 3.95Å; S84-L86 PolarHBondContact O-N 3.27Å; S84-L86 VanDerWaalsContact O-N 3.09Å; S84-L86 WeakPolarHBondContact OG-CB 3.35Å; S84-L86 PolarHBondContact OG-N 2.96Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.15Å; L86-L89 WeakPolarHBondContact O-CB 3.27Å; L86-L89 PolarHBondContact O-N 3.28Å; L86-L89 VanDerWaalsContact O-N 3.12Å; L86-L90 HydrophobicContact CD1-CD1 4.3Å; L86-L90 HydrophobicContact CD1-CG 4.18Å; L86-L90 HydrophobicContact CG-CD1 3.99Å; L86-L90 HydrophobicContact CG-CG 4.33Å; L86-L90 WeakPolarHBondContact O-CG 3.27Å; L86-L90 PolarHBondContact O-N 3.18Å
87	N	86.1	Confident	83	Confident	65 Å²	65	47.9 Å²	47.9	35%	0.348	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-38.5	-179.7	-65.9	8.8	0	0	0	112.4	N85 L89 L90 E91 S119	N85-N87 PolarHBondContact O-N 3.45Å; N87-L89 VanDerWaalsContact C-N 3.31Å; N87-L90 PolarHBondContact O-N 3.38Å; N87-E91 WeakPolarHBondContact O-CB 3.47Å; N87-E91 PolarHBondContact O-N 2.85Å; N87-S119 WeakPolarHBondContact OD1-CB 3.37Å
88	V	86.5	Confident	82.6	Confident	62 Å²	62	47.1 Å²	47.1	38%	0.376	25%	0.254	S	S	.	.	H	α-helix	trans	-68.3	-37.2	176.4	179.8	0	0	0	0	110.1	N85 L86 R92	N85-V88 PolarHBondContact O-N 3.03Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.15Å; V88-R92 WeakPolarHBondContact O-CB 3.42Å; V88-R92 VanDerWaalsContact O-CG 3.25Å; V88-R92 WeakPolarHBondContact O-CG 3.29Å; V88-R92 PolarHBondContact O-N 3.4Å
89	L	89.2	Confident	82.3	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-46.8	175.7	-179.8	61.9	0	0	0	111.6	W66 Y69 V70 N85 L86 N87 R92 A93	W66-L89 HydrophobicContact CE3-CD1 3.93Å; W66-L89 HydrophobicContact CZ3-CD1 3.7Å; Y69-L89 HydrophobicContact CD1-CD1 3.37Å; Y69-L89 HydrophobicContact CD1-CD2 3.81Å; Y69-L89 HydrophobicContact CD1-CG 4.22Å; Y69-L89 HydrophobicContact CD2-CD2 4.31Å; Y69-L89 HydrophobicContact CE1-CD1 3.26Å; Y69-L89 HydrophobicContact CE1-CD2 3.91Å; Y69-L89 HydrophobicContact CE1-CG 4.23Å; Y69-L89 HydrophobicContact CE2-CD2 4.38Å; Y69-L89 HydrophobicContact CG-CD1 4.35Å; Y69-L89 HydrophobicContact CG-CD2 4Å; V70-L89 HydrophobicContact CG2-CD2 3.77Å; V70-L89 HydrophobicContact CG2-CG 3.95Å; N85-L89 PolarHBondContact O-N 3.02Å; L86-L89 WeakPolarHBondContact O-CB 3.27Å; L86-L89 PolarHBondContact O-N 3.28Å; L86-L89 VanDerWaalsContact O-N 3.12Å; N87-L89 VanDerWaalsContact C-N 3.31Å; L89-R92 PolarHBondContact O-N 3.07Å; L89-A93 WeakPolarHBondContact O-CB 3.4Å; L89-A93 PolarHBondContact O-N 2.77Å
90	L	89.9	Confident	82.3	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-46.6	176.7	-72	170.5	0	0	0	111.4	V70 L86 N87 R92 A93 V94 L112 K115 F116	V70-L90 HydrophobicContact CG1-CD2 3.98Å; V70-L90 HydrophobicContact CG2-CD2 4.12Å; L86-L90 HydrophobicContact CD1-CD1 4.3Å; L86-L90 HydrophobicContact CD1-CG 4.18Å; L86-L90 HydrophobicContact CG-CD1 3.99Å; L86-L90 HydrophobicContact CG-CG 4.33Å; L86-L90 WeakPolarHBondContact O-CG 3.27Å; L86-L90 PolarHBondContact O-N 3.18Å; N87-L90 PolarHBondContact O-N 3.38Å; L90-R92 VanDerWaalsContact C-N 3.35Å; L90-R92 PolarHBondContact O-N 3.38Å; L90-A93 PolarHBondContact O-N 3.27Å; L90-V94 VanDerWaalsContact O-CB 3.27Å; L90-V94 WeakPolarHBondContact O-CB 3.47Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.4Å; L90-V94 PolarHBondContact O-N 3.44Å; L90-L112 HydrophobicContact CD2-CD2 4.02Å; L90-K115 HydrophobicContact CD1-CB 4.13Å; L90-K115 HydrophobicContact CD2-CB 4.12Å; L90-F116 HydrophobicContact CB-CB 4.38Å; L90-F116 HydrophobicContact CB-CD2 4.07Å
91	E	88	Confident	82.6	Confident	37 Å²	37	59.7 Å²	59.7	17%	0.173	31%	0.312	C	S	.	.	H	α-helix	trans	-57.4	-47.6	177	-175.6	176.6	178	0	0	111.3	N87 V94 M95 F116 L361	N87-E91 WeakPolarHBondContact O-CB 3.47Å; N87-E91 PolarHBondContact O-N 2.85Å; E91-V94 PolarHBondContact O-N 3.08Å; E91-M95 HydrophobicContact CG-SD 3.95Å; E91-M95 WeakPolarHBondContact O-CB 3.25Å; E91-M95 VanDerWaalsContact O-CG 3.23Å; E91-M95 WeakPolarHBondContact O-CG 3.45Å; E91-M95 PolarHBondContact O-N 3.08Å; E91-F116 HydrophobicContact CB-CE2 3.93Å; E91-F116 HydrophobicContact CG-CE2 4.39Å; E91-L361 WeakPolarHBondContact OE1-CD1 3.43Å
92	R	87	Confident	83.2	Confident	40 Å²	40	64.2 Å²	64.2	15%	0.151	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-48	175.8	-74.6	169.4	58.9	-159	-2.2	112	E51 W66 V88 L89 L90 V94 M95 C96 G388	E51-R92 IonicContact OE1-CZ 2.73Å; E51-R92 IonicContact OE1-NH1 2.71Å; E51-R92 PolarHBondContact OE1-NH1 3.45Å; E51-R92 IonicContact OE1-NH2 3.27Å; E51-R92 IonicContact OE2-CZ 2.81Å; E51-R92 IonicContact OE2-NH1 3.88Å; E51-R92 PolarHBondContact OE2-NH1 2.88Å; E51-R92 IonicContact OE2-NH2 2.74Å; E51-R92 PolarHBondContact OE2-NH2 3.41Å; W66-R92 HydrophobicContact CH2-CB 3.85Å; W66-R92 HydrophobicContact CZ3-CB 3.89Å; V88-R92 WeakPolarHBondContact O-CB 3.42Å; V88-R92 VanDerWaalsContact O-CG 3.25Å; V88-R92 WeakPolarHBondContact O-CG 3.29Å; V88-R92 PolarHBondContact O-N 3.4Å; L89-R92 PolarHBondContact O-N 3.07Å; L90-R92 VanDerWaalsContact C-N 3.35Å; L90-R92 PolarHBondContact O-N 3.38Å; R92-V94 VanDerWaalsContact C-N 3.32Å; R92-V94 PolarHBondContact O-N 3.49Å; R92-M95 PolarHBondContact O-N 3.34Å; R92-C96 PolarHBondContact O-N 3.48Å; R92-C96 PolarHBondContact O-SG 2.92Å; R92-G388 VanDerWaalsContact CZ-CA 3.46Å
93	A	88.7	Confident	83.9	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-47.5	-178.6	0	0	0	0	0	110.7	W66 L89 L90 C96 F97 L112	W66-A93 HydrophobicContact CB-CB 4.36Å; W66-A93 HydrophobicContact CD2-CB 3.89Å; W66-A93 HydrophobicContact CE3-CB 3.45Å; W66-A93 VanDerWaalsContact CE3-CB 3.45Å; W66-A93 HydrophobicContact CG-CB 4.3Å; W66-A93 HydrophobicContact CZ3-CB 3.97Å; L89-A93 WeakPolarHBondContact O-CB 3.4Å; L89-A93 PolarHBondContact O-N 2.77Å; L90-A93 PolarHBondContact O-N 3.27Å; A93-C96 PolarHBondContact O-N 3.33Å; A93-F97 WeakPolarHBondContact O-CD2 3.45Å; A93-L112 HydrophobicContact CB-CD1 4.36Å
94	V	87.9	Confident	84.7	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.018	25%	0.25	C	C	.	.	H	α-helix	trans	-62.4	-48.1	-179.3	163.2	0	0	0	0	111.4	L90 E91 R92 C96 F97 T98 Y109 W113 F116	L90-V94 VanDerWaalsContact O-CB 3.27Å; L90-V94 WeakPolarHBondContact O-CB 3.47Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.4Å; L90-V94 PolarHBondContact O-N 3.44Å; E91-V94 PolarHBondContact O-N 3.08Å; R92-V94 VanDerWaalsContact C-N 3.32Å; R92-V94 PolarHBondContact O-N 3.49Å; V94-C96 VanDerWaalsContact C-N 3.31Å; V94-C96 PolarHBondContact O-N 3.46Å; V94-F97 PolarHBondContact O-N 3.38Å; V94-T98 WeakPolarHBondContact O-CG2 3.43Å; V94-T98 PolarHBondContact O-N 3.03Å; V94-Y109 PolarHBondContact O-OH 3.19Å; V94-W113 HydrophobicContact CB-CZ2 4.43Å; V94-W113 HydrophobicContact CG1-CD2 3.65Å; V94-W113 HydrophobicContact CG1-CE3 3.71Å; V94-W113 HydrophobicContact CG1-CH2 3.14Å; V94-W113 HydrophobicContact CG1-CZ2 3.1Å; V94-W113 HydrophobicContact CG1-CZ3 3.46Å; V94-W113 VanDerWaalsContact CG1-CZ3 3.46Å; V94-W113 HydrophobicContact CG2-CD2 4.04Å; V94-W113 HydrophobicContact CG2-CE3 4.38Å; V94-W113 HydrophobicContact CG2-CG 4.23Å; V94-F116 HydrophobicContact CG2-CB 4.25Å; V94-F116 HydrophobicContact CG2-CG 4.49Å
95	M	84.3	Confident	85.3	Confident	71 Å²	71	51.9 Å²	51.9	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-68.5	-23	180	-69.9	-179.1	73.7	0	0	114.2	E91 R92 F97 T98	E91-M95 HydrophobicContact CG-SD 3.95Å; E91-M95 WeakPolarHBondContact O-CB 3.25Å; E91-M95 VanDerWaalsContact O-CG 3.23Å; E91-M95 WeakPolarHBondContact O-CG 3.45Å; E91-M95 PolarHBondContact O-N 3.08Å; R92-M95 PolarHBondContact O-N 3.34Å; M95-F97 VanDerWaalsContact C-N 3.35Å; M95-T98 PolarHBondContact O-OG1 3.43Å
96	C	82.8	Confident	85.7	Confident	63 Å²	63	50.7 Å²	50.7	43%	0.426	26%	0.256	S	S	.	.	H	α-helix	trans	-69.5	-34.3	178.4	-73.3	0	0	0	0	112.2	R92 A93 V94	R92-C96 PolarHBondContact O-N 3.48Å; R92-C96 PolarHBondContact O-SG 2.92Å; A93-C96 PolarHBondContact O-N 3.33Å; V94-C96 VanDerWaalsContact C-N 3.31Å; V94-C96 PolarHBondContact O-N 3.46Å
97	F	82.7	Confident	86	Confident	6 Å²	6	52 Å²	52	3%	0.026	27%	0.267	C	S	.	.	S	Bend	trans	-108.8	7.5	-172.5	-54.9	-69.6	0	0	0	113.7	P62 L63 W66 A93 V94 M95 E99 E100 Y103 Y109	P62-F97 HydrophobicContact CB-CE1 4.18Å; P62-F97 HydrophobicContact CB-CZ 4.18Å; P62-F97 HydrophobicContact CG-CE1 3.93Å; P62-F97 HydrophobicContact CG-CZ 4.39Å; L63-F97 HydrophobicContact CB-CE2 4.49Å; L63-F97 HydrophobicContact CB-CZ 4.3Å; L63-F97 HydrophobicContact CD1-CD2 3.9Å; L63-F97 HydrophobicContact CD1-CE2 3.75Å; L63-F97 HydrophobicContact CD1-CZ 4.39Å; W66-F97 AromaticContact CD1-CE2 3.4Å; W66-F97 AromaticContact CD1-CZ 3.45Å; W66-F97 VanDerWaalsContact CD1-CZ 3.45Å; W66-F97 HydrophobicContact CG-CE2 4.03Å; W66-F97 HydrophobicContact CG-CZ 4.46Å; W66-F97 AromaticContact NE1-CE2 3.66Å; W66-F97 AromaticContact NE1-CZ 3.58Å; A93-F97 WeakPolarHBondContact O-CD2 3.45Å; V94-F97 PolarHBondContact O-N 3.38Å; M95-F97 VanDerWaalsContact C-N 3.35Å; F97-E99 VanDerWaalsContact C-N 3.29Å; F97-E99 PolarHBondContact O-N 3.18Å; F97-E100 PolarHBondContact O-N 3.4Å; F97-Y103 AromaticContact CD1-CD2 3.76Å; F97-Y103 HydrophobicContact CD1-CD2 3.76Å; F97-Y103 HydrophobicContact CD1-CE2 4.01Å; F97-Y103 HydrophobicContact CE1-CD2 4.32Å; F97-Y103 HydrophobicContact CE1-CE2 4.15Å; F97-Y103 HydrophobicContact CG-CD2 4.34Å; F97-Y109 HydrophobicContact CB-CD2 4.25Å; F97-Y109 HydrophobicContact CB-CE2 3.57Å; F97-Y109 HydrophobicContact CD2-CD2 4.35Å; F97-Y109 HydrophobicContact CD2-CE2 4.06Å; F97-Y109 HydrophobicContact CG-CE2 4.27Å
98	T	77.5	Confident	86.3	Confident	26 Å²	26	52 Å²	52	16%	0.16	26%	0.262	C	S	.	.	S	Bend	trans	-61	-38.5	178.7	35.3	0	0	0	0	112.4	V94 M95 H104 Y109 W113	V94-T98 WeakPolarHBondContact O-CG2 3.43Å; V94-T98 PolarHBondContact O-N 3.03Å; M95-T98 PolarHBondContact O-OG1 3.43Å; T98-H104 PolarHBondContact O-NE2 3.43Å; T98-Y109 PolarHBondContact N-OH 2.88Å; T98-W113 HydrophobicContact CG2-CH2 4.25Å; T98-W113 HydrophobicContact CG2-CZ2 3.73Å
99	E	76.9	Confident	86.6	Confident	177 Å²	177	49 Å²	49	83%	0.827	24%	0.244	S	C	*	.	S	Bend	trans	-81.7	-17.6	-179.8	-62.8	178.7	-172.5	0	0	112.5	F97 N101	F97-E99 VanDerWaalsContact C-N 3.29Å; F97-E99 PolarHBondContact O-N 3.18Å; E99-N101 PolarHBondContact O-N 2.97Å
100	E	79.6	Confident	86.8	Confident	89 Å²	89	48.7 Å²	48.7	42%	0.416	24%	0.243	S	C	.	.			trans	-94	95	-176.4	-68.7	-176.4	-154	0	0	111.7	F97 K102 Y103 H104	F97-E100 PolarHBondContact O-N 3.4Å; E100-K102 PolarHBondContact O-N 3.39Å; E100-Y103 HydrophobicContact CB-CD2 4.43Å; E100-Y103 PolarHBondContact O-N 3.09Å; E100-H104 PolarHBondContact O-CD2 2.98Å
101	N	80.8	Confident	86.9	Confident	121 Å²	121	50.5 Å²	50.5	65%	0.647	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-60.5	-14.1	179.9	-63.4	-27	0	0	0	114.8	E99 Y103 H104	E99-N101 PolarHBondContact O-N 2.97Å; N101-Y103 PolarHBondContact O-N 3.4Å; N101-H104 PolarHBondContact O-N 3.42Å; N101-H104 PolarHBondContact OD1-CE1 3.36Å; N101-H104 PolarHBondContact OD1-NE2 2.98Å
102	K	87.4	Confident	87.2	Confident	148 Å²	148	48.8 Å²	48.8	64%	0.643	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-57.6	-36.6	179	-178.2	-174.8	173.3	-164.1	0	112	D60 E100	D60-K102 PolarHBondContact O-NZ 3.37Å; D60-K102 VanDerWaalsContact O-NZ 3.1Å; E100-K102 PolarHBondContact O-N 3.39Å
103	Y	88.1	Confident	87.5	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.027	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-98.4	-3.8	-171.8	-65.4	-67.2	0	0	0	114	D61 P62 L63 F97 E100 N101 N105 D106 Y109	D61-Y103 VanDerWaalsContact OD1-CE1 3.22Å; D61-Y103 WeakPolarHBondContact OD1-CE1 3.39Å; D61-Y103 PolarHBondContact OD1-OH 3.05Å; P62-Y103 WeakPolarHBondContact CD-OH 3.37Å; L63-Y103 HydrophobicContact CB-CD1 4.02Å; L63-Y103 HydrophobicContact CB-CE1 3.78Å; L63-Y103 HydrophobicContact CD2-CD1 3.49Å; L63-Y103 VanDerWaalsContact CD2-CD1 3.49Å; L63-Y103 HydrophobicContact CD2-CE1 4.03Å; L63-Y103 HydrophobicContact CD2-CG 4.1Å; L63-Y103 HydrophobicContact CG-CD1 4.36Å; F97-Y103 AromaticContact CD1-CD2 3.76Å; F97-Y103 HydrophobicContact CD1-CD2 3.76Å; F97-Y103 HydrophobicContact CD1-CE2 4.01Å; F97-Y103 HydrophobicContact CE1-CD2 4.32Å; F97-Y103 HydrophobicContact CE1-CE2 4.15Å; F97-Y103 HydrophobicContact CG-CD2 4.34Å; E100-Y103 HydrophobicContact CB-CD2 4.43Å; E100-Y103 PolarHBondContact O-N 3.09Å; N101-Y103 PolarHBondContact O-N 3.4Å; Y103-N105 VanDerWaalsContact C-N 3.26Å; Y103-N105 PolarHBondContact O-N 3.46Å; Y103-D106 WeakPolarHBondContact O-CB 3.46Å; Y103-D106 PolarHBondContact O-N 3.21Å; Y103-Y109 WeakPolarHBondContact O-CB 3.4Å; Y103-Y109 VanDerWaalsContact O-CD1 3.29Å; Y103-Y109 WeakPolarHBondContact O-CD1 3.38Å
104	H	88.3	Confident	87.7	Confident	13 Å²	13	47.6 Å²	47.6	6%	0.06	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-36	-174.3	-77.5	-166.4	0	0	0	113.6	T98 E100 N101 G136	T98-H104 PolarHBondContact O-NE2 3.43Å; E100-H104 PolarHBondContact O-CD2 2.98Å; N101-H104 PolarHBondContact O-N 3.42Å; N101-H104 PolarHBondContact OD1-CE1 3.36Å; N101-H104 PolarHBondContact OD1-NE2 2.98Å; H104-G136 WeakPolarHBondContact O-CA 3.24Å; H104-G136 PolarHBondContact O-N 3.16Å
105	N	89.1	Confident	87.9	Confident	59 Å²	59	48.7 Å²	48.7	32%	0.316	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	6.4	178.8	-65	-54.5	0	0	0	113.7	Y103 Q138 Q139	Y103-N105 VanDerWaalsContact C-N 3.26Å; Y103-N105 PolarHBondContact O-N 3.46Å; N105-Q138 PolarHBondContact OD1-N 3.46Å; N105-Q139 PolarHBondContact O-NE2 2.7Å
106	D	92.4	Very high	88.2	Confident	41 Å²	41	45.6 Å²	45.6	22%	0.219	23%	0.23	C	C	.	.			trans	-74	128	175.2	-169.5	-39.5	0	0	0	109.8	L63 Y103 R108 Y109 V110	L63-D106 HydrophobicContact CD2-CB 4.27Å; Y103-D106 WeakPolarHBondContact O-CB 3.46Å; Y103-D106 PolarHBondContact O-N 3.21Å; D106-R108 PolarHBondContact O-N 3.1Å; D106-R108 WeakPolarHBondContact OD1-CB 3.17Å; D106-R108 PolarHBondContact OD1-N 3.21Å; D106-R108 IonicContact OD1-NE 2.78Å; D106-R108 PolarHBondContact OD1-NE 3.09Å; D106-R108 IonicContact OD2-CZ 3.89Å; D106-R108 IonicContact OD2-NE 2.74Å; D106-R108 PolarHBondContact OD2-NE 2.94Å; D106-R108 IonicContact OD2-NH2 3.15Å; D106-R108 PolarHBondContact OD2-NH2 2.82Å; D106-Y109 PolarHBondContact O-N 3.43Å; D106-Y109 VanDerWaalsContact O-N 3.12Å; D106-V110 WeakPolarHBondContact O-CG2 3.4Å; D106-V110 PolarHBondContact O-N 2.92Å; D106-V110 VanDerWaalsContact O-N 3.09Å
107	S	92.1	Very high	88.6	Confident	55 Å²	55	42.6 Å²	42.6	39%	0.385	21%	0.21	S	C	.	.	H	α-helix	trans	-56.7	-32.7	178.3	-179.9	0	0	0	0	112.7	D111	S107-D111 WeakPolarHBondContact O-CB 3.32Å; S107-D111 PolarHBondContact O-N 3.4Å
108	R	93	Very high	88.9	Confident	64 Å²	64	46.9 Å²	46.9	24%	0.242	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-42.7	178.7	-64.5	174.7	-68.4	169.7	4.5	111	D61 L63 D64 D106 D111 L112	D61-R108 IonicContact OD1-NH2 3.64Å; D61-R108 IonicContact OD2-CZ 3.37Å; D61-R108 VanDerWaalsContact OD2-CZ 3.24Å; D61-R108 IonicContact OD2-NH1 2.65Å; D61-R108 PolarHBondContact OD2-NH1 3.49Å; D61-R108 IonicContact OD2-NH2 2.7Å; D61-R108 PolarHBondContact OD2-NH2 2.99Å; L63-R108 HydrophobicContact CD2-CB 4.16Å; D64-R108 IonicContact OD1-NH1 3.46Å; D106-R108 PolarHBondContact O-N 3.1Å; D106-R108 WeakPolarHBondContact OD1-CB 3.17Å; D106-R108 PolarHBondContact OD1-N 3.21Å; D106-R108 IonicContact OD1-NE 2.78Å; D106-R108 PolarHBondContact OD1-NE 3.09Å; D106-R108 IonicContact OD2-CZ 3.89Å; D106-R108 IonicContact OD2-NE 2.74Å; D106-R108 PolarHBondContact OD2-NE 2.94Å; D106-R108 IonicContact OD2-NH2 3.15Å; D106-R108 PolarHBondContact OD2-NH2 2.82Å; R108-D111 PolarHBondContact O-N 3.36Å; R108-L112 WeakPolarHBondContact O-CG 3.5Å; R108-L112 PolarHBondContact O-N 2.75Å; R108-L112 VanDerWaalsContact O-N 3.07Å
109	Y	92.8	Very high	89.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-42	179.8	-172.2	-123.4	0	0	0	111.7	L63 V94 F97 T98 Y103 D106 D111 L112 W113 I135	L63-Y109 HydrophobicContact CD1-CD2 4.02Å; V94-Y109 PolarHBondContact O-OH 3.19Å; F97-Y109 HydrophobicContact CB-CD2 4.25Å; F97-Y109 HydrophobicContact CB-CE2 3.57Å; F97-Y109 HydrophobicContact CD2-CD2 4.35Å; F97-Y109 HydrophobicContact CD2-CE2 4.06Å; F97-Y109 HydrophobicContact CG-CE2 4.27Å; T98-Y109 PolarHBondContact N-OH 2.88Å; Y103-Y109 WeakPolarHBondContact O-CB 3.4Å; Y103-Y109 VanDerWaalsContact O-CD1 3.29Å; Y103-Y109 WeakPolarHBondContact O-CD1 3.38Å; D106-Y109 PolarHBondContact O-N 3.43Å; D106-Y109 VanDerWaalsContact O-N 3.12Å; Y109-D111 VanDerWaalsContact C-N 3.31Å; Y109-D111 PolarHBondContact O-N 3.09Å; Y109-L112 WeakPolarHBondContact O-CB 3.4Å; Y109-L112 PolarHBondContact O-N 3.17Å; Y109-W113 AromaticContact CD1-CD1 3.89Å; Y109-W113 AromaticContact CD1-NE1 3.93Å; Y109-W113 AromaticContact CE1-CD1 3.61Å; Y109-W113 AromaticContact CE1-NE1 3.16Å; Y109-W113 AromaticContact CE2-CD1 3.93Å; Y109-W113 AromaticContact CE2-NE1 3.63Å; Y109-W113 AromaticContact CZ-CD1 3.64Å; Y109-W113 AromaticContact CZ-NE1 2.98Å; Y109-W113 PolarHBondContact O-N 3.12Å; Y109-W113 VanDerWaalsContact O-N 3.09Å; Y109-W113 PolarHBondContact OH-NE1 3.24Å; Y109-I135 HydrophobicContact CD1-CG2 3.98Å; Y109-I135 HydrophobicContact CE1-CD1 4.49Å; Y109-I135 HydrophobicContact CE1-CG2 3.81Å
110	V	93.6	Very high	89.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-41.8	174.3	176.4	0	0	0	0	111.2	D106 L112 W113 I114 M130 Q139 F142	D106-V110 WeakPolarHBondContact O-CG2 3.4Å; D106-V110 PolarHBondContact O-N 2.92Å; D106-V110 VanDerWaalsContact O-N 3.09Å; V110-L112 VanDerWaalsContact C-N 3.32Å; V110-L112 PolarHBondContact O-N 3.28Å; V110-W113 WeakPolarHBondContact O-CB 3.32Å; V110-W113 PolarHBondContact O-N 3.37Å; V110-I114 HydrophobicContact CG1-CD1 3.79Å; V110-I114 HydrophobicContact CG1-CG1 4.34Å; V110-I114 VanDerWaalsContact O-CG1 3.31Å; V110-I114 WeakPolarHBondContact O-CG1 3.16Å; V110-I114 PolarHBondContact O-N 3.07Å; V110-M130 HydrophobicContact CG1-CE 4.28Å; V110-Q139 HydrophobicContact CG1-CB 4.36Å; V110-Q139 HydrophobicContact CG2-CB 4.21Å; V110-Q139 HydrophobicContact CG2-CG 4Å; V110-F142 HydrophobicContact CG1-CB 3.96Å
111	D	92.8	Very high	89.2	Confident	40 Å²	40	41.6 Å²	41.6	21%	0.214	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-37.3	175.7	-87.6	13.2	0	0	0	112.6	K21 S107 R108 Y109 I114 K115	K21-D111 IonicContact NZ-OD2 3.53Å; K21-D111 PolarHBondContact NZ-OD2 2.84Å; S107-D111 WeakPolarHBondContact O-CB 3.32Å; S107-D111 PolarHBondContact O-N 3.4Å; R108-D111 PolarHBondContact O-N 3.36Å; Y109-D111 VanDerWaalsContact C-N 3.31Å; Y109-D111 PolarHBondContact O-N 3.09Å; D111-I114 PolarHBondContact O-N 3.42Å; D111-K115 WeakPolarHBondContact O-CB 3.44Å; D111-K115 VanDerWaalsContact O-CG 3.27Å; D111-K115 WeakPolarHBondContact O-CG 3.42Å; D111-K115 PolarHBondContact O-N 3.4Å
112	L	93	Very high	89.4	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-42.6	174.3	-69.5	174.5	0	0	0	111.6	L63 V70 L90 A93 R108 Y109 V110 K115 F116	L63-L112 HydrophobicContact CD1-CD1 3.81Å; V70-L112 HydrophobicContact CB-CD2 4.02Å; V70-L112 HydrophobicContact CG1-CD2 3.95Å; V70-L112 HydrophobicContact CG2-CD2 3.79Å; L90-L112 HydrophobicContact CD2-CD2 4.02Å; A93-L112 HydrophobicContact CB-CD1 4.36Å; R108-L112 WeakPolarHBondContact O-CG 3.5Å; R108-L112 PolarHBondContact O-N 2.75Å; R108-L112 VanDerWaalsContact O-N 3.07Å; Y109-L112 WeakPolarHBondContact O-CB 3.4Å; Y109-L112 PolarHBondContact O-N 3.17Å; V110-L112 VanDerWaalsContact C-N 3.32Å; V110-L112 PolarHBondContact O-N 3.28Å; L112-K115 PolarHBondContact O-N 3.16Å; L112-F116 WeakPolarHBondContact O-CB 3.47Å; L112-F116 PolarHBondContact O-N 2.7Å
113	W	93.1	Very high	89.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-43	175.7	-87.5	104	0	0	0	113.1	V94 T98 Y109 V110 K115 F116 A117 I126 Y129 M130 I135 P284	V94-W113 HydrophobicContact CB-CZ2 4.43Å; V94-W113 HydrophobicContact CG1-CD2 3.65Å; V94-W113 HydrophobicContact CG1-CE3 3.71Å; V94-W113 HydrophobicContact CG1-CH2 3.14Å; V94-W113 HydrophobicContact CG1-CZ2 3.1Å; V94-W113 HydrophobicContact CG1-CZ3 3.46Å; V94-W113 VanDerWaalsContact CG1-CZ3 3.46Å; V94-W113 HydrophobicContact CG2-CD2 4.04Å; V94-W113 HydrophobicContact CG2-CE3 4.38Å; V94-W113 HydrophobicContact CG2-CG 4.23Å; T98-W113 HydrophobicContact CG2-CH2 4.25Å; T98-W113 HydrophobicContact CG2-CZ2 3.73Å; Y109-W113 AromaticContact CD1-CD1 3.89Å; Y109-W113 AromaticContact CD1-NE1 3.93Å; Y109-W113 AromaticContact CE1-CD1 3.61Å; Y109-W113 AromaticContact CE1-NE1 3.16Å; Y109-W113 AromaticContact CE2-CD1 3.93Å; Y109-W113 AromaticContact CE2-NE1 3.63Å; Y109-W113 AromaticContact CZ-CD1 3.64Å; Y109-W113 AromaticContact CZ-NE1 2.98Å; Y109-W113 PolarHBondContact O-N 3.12Å; Y109-W113 VanDerWaalsContact O-N 3.09Å; Y109-W113 PolarHBondContact OH-NE1 3.24Å; V110-W113 WeakPolarHBondContact O-CB 3.32Å; V110-W113 PolarHBondContact O-N 3.37Å; W113-K115 VanDerWaalsContact C-N 3.32Å; W113-K115 PolarHBondContact O-N 3.44Å; W113-F116 HydrophobicContact CE3-CD1 4.17Å; W113-F116 HydrophobicContact CZ3-CD1 4.19Å; W113-F116 HydrophobicContact CZ3-CE1 4.49Å; W113-F116 WeakPolarHBondContact O-CB 3.23Å; W113-F116 PolarHBondContact O-N 2.74Å; W113-F116 VanDerWaalsContact O-N 3.17Å; W113-A117 PolarHBondContact O-N 3.01Å; W113-I126 HydrophobicContact CE3-CG2 3.67Å; W113-I126 HydrophobicContact CZ3-CG2 3.93Å; W113-Y129 AromaticContact CH2-CD1 3.51Å; W113-Y129 HydrophobicContact CH2-CD1 3.51Å; W113-Y129 AromaticContact CH2-CE1 3.33Å; W113-Y129 HydrophobicContact CH2-CE1 3.33Å; W113-Y129 HydrophobicContact CZ2-CD1 4.21Å; W113-Y129 AromaticContact CZ2-CE1 3.8Å; W113-Y129 HydrophobicContact CZ2-CE1 3.8Å; W113-Y129 AromaticContact CZ3-CD1 3.94Å; W113-Y129 HydrophobicContact CZ3-CD1 3.94Å; W113-Y129 HydrophobicContact CZ3-CE1 4.22Å; W113-M130 HydrophobicContact CB-CE 3.49Å; W113-M130 VanDerWaalsContact CB-CE 3.49Å; W113-M130 HydrophobicContact CB-CG 4.42Å; W113-M130 HydrophobicContact CB-SD 3.62Å; W113-M130 HydrophobicContact CD2-CG 4.04Å; W113-M130 HydrophobicContact CD2-SD 4.33Å; W113-M130 HydrophobicContact CE3-CG 4.02Å; W113-M130 HydrophobicContact CE3-SD 4.37Å; W113-M130 HydrophobicContact CG-CE 3.96Å; W113-M130 HydrophobicContact CG-CG 4.27Å; W113-M130 HydrophobicContact CG-SD 4.1Å; W113-I135 HydrophobicContact CG-CG2 4.47Å; W113-I135 HydrophobicContact CZ2-CD1 3.58Å; W113-P284 HydrophobicContact CH2-CB 4.16Å
114	I	93.6	Very high	89.7	Confident	15 Å²	15	33.1 Å²	33.1	8%	0.077	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-45.4	176.3	-68.8	166.1	0	0	0	109.7	V110 D111 F116 A117 E118 Y127 A145	V110-I114 HydrophobicContact CG1-CD1 3.79Å; V110-I114 HydrophobicContact CG1-CG1 4.34Å; V110-I114 VanDerWaalsContact O-CG1 3.31Å; V110-I114 WeakPolarHBondContact O-CG1 3.16Å; V110-I114 PolarHBondContact O-N 3.07Å; D111-I114 PolarHBondContact O-N 3.42Å; I114-F116 VanDerWaalsContact C-N 3.31Å; I114-F116 PolarHBondContact O-N 2.97Å; I114-A117 WeakPolarHBondContact O-CB 3.39Å; I114-A117 PolarHBondContact O-N 3.01Å; I114-A117 VanDerWaalsContact O-N 3.16Å; I114-E118 WeakPolarHBondContact O-CG 3.42Å; I114-E118 PolarHBondContact O-N 3.47Å; I114-Y127 HydrophobicContact CG1-CE1 4.29Å; I114-A145 HydrophobicContact CD1-CB 4.01Å; I114-A145 HydrophobicContact CG1-CB 4.04Å; I114-A145 HydrophobicContact CG2-CB 3.84Å
115	K	91.4	Very high	89.8	Confident	25 Å²	25	33.7 Å²	33.7	11%	0.109	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-39.9	174.9	-73.4	174.4	176.4	-163	0	112.5	V70 E74 L90 D111 L112 W113 A117 E118 S119	V70-K115 HydrophobicContact CG1-CD 4.33Å; E74-K115 WeakPolarHBondContact OE1-CD 3.47Å; E74-K115 WeakPolarHBondContact OE1-CE 3.25Å; E74-K115 IonicContact OE1-NZ 2.8Å; E74-K115 PolarHBondContact OE1-NZ 3.19Å; E74-K115 IonicContact OE2-NZ 3.24Å; E74-K115 PolarHBondContact OE2-NZ 2.69Å; L90-K115 HydrophobicContact CD1-CB 4.13Å; L90-K115 HydrophobicContact CD2-CB 4.12Å; D111-K115 WeakPolarHBondContact O-CB 3.44Å; D111-K115 VanDerWaalsContact O-CG 3.27Å; D111-K115 WeakPolarHBondContact O-CG 3.42Å; D111-K115 PolarHBondContact O-N 3.4Å; L112-K115 PolarHBondContact O-N 3.16Å; W113-K115 VanDerWaalsContact C-N 3.32Å; W113-K115 PolarHBondContact O-N 3.44Å; K115-A117 VanDerWaalsContact C-N 3.33Å; K115-E118 PolarHBondContact O-N 3.14Å; K115-S119 PolarHBondContact O-N 3.31Å; K115-S119 VanDerWaalsContact O-N 3.12Å
116	F	90.9	Very high	89.9	Confident	7 Å²	7	31 Å²	31	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-42.6	175.1	-178.7	-112.8	0	0	0	111.1	L90 E91 V94 L112 W113 I114 S119 G120 I126	L90-F116 HydrophobicContact CB-CB 4.38Å; L90-F116 HydrophobicContact CB-CD2 4.07Å; E91-F116 HydrophobicContact CB-CE2 3.93Å; E91-F116 HydrophobicContact CG-CE2 4.39Å; V94-F116 HydrophobicContact CG2-CB 4.25Å; V94-F116 HydrophobicContact CG2-CG 4.49Å; L112-F116 WeakPolarHBondContact O-CB 3.47Å; L112-F116 PolarHBondContact O-N 2.7Å; W113-F116 HydrophobicContact CE3-CD1 4.17Å; W113-F116 HydrophobicContact CZ3-CD1 4.19Å; W113-F116 HydrophobicContact CZ3-CE1 4.49Å; W113-F116 WeakPolarHBondContact O-CB 3.23Å; W113-F116 PolarHBondContact O-N 2.74Å; W113-F116 VanDerWaalsContact O-N 3.17Å; I114-F116 VanDerWaalsContact C-N 3.31Å; I114-F116 PolarHBondContact O-N 2.97Å; F116-S119 PolarHBondContact O-N 3.21Å; F116-S119 PolarHBondContact O-OG 3.36Å; F116-G120 PolarHBondContact O-N 3.41Å; F116-I126 HydrophobicContact CD1-CD1 3.78Å; F116-I126 HydrophobicContact CD1-CG1 4.35Å; F116-I126 HydrophobicContact CD1-CG2 4.23Å; F116-I126 HydrophobicContact CE1-CD1 3.76Å; F116-I126 HydrophobicContact CE1-CG1 4.22Å
117	A	91.3	Very high	89.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-48.1	174.5	0	0	0	0	0	112.4	W113 I114 K115 S119 G120 P123 I126 Y127	W113-A117 PolarHBondContact O-N 3.01Å; I114-A117 WeakPolarHBondContact O-CB 3.39Å; I114-A117 PolarHBondContact O-N 3.01Å; I114-A117 VanDerWaalsContact O-N 3.16Å; K115-A117 VanDerWaalsContact C-N 3.33Å; A117-S119 PolarHBondContact O-N 3.32Å; A117-G120 PolarHBondContact O-N 3.14Å; A117-G120 VanDerWaalsContact O-N 3.09Å; A117-P123 HydrophobicContact CB-CB 4.2Å; A117-I126 HydrophobicContact CB-CB 4.05Å; A117-I126 HydrophobicContact CB-CD1 4.23Å; A117-I126 HydrophobicContact CB-CG2 3.84Å; A117-Y127 HydrophobicContact CB-CE1 4.24Å; A117-Y127 HydrophobicContact CB-CE2 4.11Å
118	E	88.5	Confident	89.8	Confident	95 Å²	95	31.5 Å²	31.5	44%	0.444	15%	0.152	S	C	.	.	H	α-helix	trans	-61.5	-25.5	177.7	-69.6	-179.5	161.1	0	0	113.2	K20 I114 K115	K20-E118 WeakPolarHBondContact CE-OE1 3.47Å; K20-E118 IonicContact NZ-OE1 3.48Å; K20-E118 PolarHBondContact NZ-OE1 3.31Å; I114-E118 WeakPolarHBondContact O-CG 3.42Å; I114-E118 PolarHBondContact O-N 3.47Å; K115-E118 PolarHBondContact O-N 3.14Å
119	S	83.4	Confident	89.7	Confident	37 Å²	37	29 Å²	29	26%	0.259	14%	0.143	S	C	.	.	H	α-helix	trans	-87.8	-12.5	178	78.6	0	0	0	0	114.6	N87 K115 F116 A117	N87-S119 WeakPolarHBondContact OD1-CB 3.37Å; K115-S119 PolarHBondContact O-N 3.31Å; K115-S119 VanDerWaalsContact O-N 3.12Å; F116-S119 PolarHBondContact O-N 3.21Å; F116-S119 PolarHBondContact O-OG 3.36Å; A117-S119 PolarHBondContact O-N 3.32Å
120	G	79.3	Confident	89.6	Confident	18 Å²	18	29 Å²	29	19%	0.186	14%	0.143	C	C	.	.	S	Bend	trans	-88.2	166.4	-174.9	0	0	0	0	0	113.7	F116 A117	F116-G120 PolarHBondContact O-N 3.41Å; A117-G120 PolarHBondContact O-N 3.14Å; A117-G120 VanDerWaalsContact O-N 3.09Å
121	H	77.5	Confident	89.4	Confident	126 Å²	126	33.1 Å²	33.1	58%	0.583	16%	0.158	S	C	*	.	S	Bend	trans	-77.5	-32.9	176.7	-169.9	-75.3	0	0	0	112.9	F289	H121-F289 HydrophobicContact CB-CD2 4.35Å; H121-F289 HydrophobicContact CB-CE2 4.35Å; H121-F289 AromaticContact ND1-CD2 3.97Å; H121-F289 AromaticContact ND1-CE2 3.91Å
122	E	85.8	Confident	89.3	Confident	76 Å²	76	31.9 Å²	31.9	36%	0.355	15%	0.154	S	C	.	.			trans	-128.7	86.7	178.1	-171.5	157.5	-172.8	0	0	110.4	L124 D125 F289	E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 PolarHBondContact O-N 2.89Å; E122-D125 HydrophobicContact CG-CB 4.31Å; E122-D125 PolarHBondContact O-N 2.71Å; E122-F289 HydrophobicContact CB-CE2 3.96Å; E122-F289 HydrophobicContact CB-CZ 4.08Å; E122-F289 WeakPolarHBondContact OE2-CZ 3.4Å
123	P	89.6	Confident	89	Confident	16 Å²	16	34.6 Å²	34.6	10%	0.104	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-30.1	-177.3	22.6	-34.3	0	0	0	113.3	A117 D125 I126 Y127 E149	A117-P123 HydrophobicContact CB-CB 4.2Å; P123-D125 VanDerWaalsContact C-N 3.32Å; P123-D125 PolarHBondContact O-N 3.12Å; P123-I126 WeakPolarHBondContact O-CB 3.22Å; P123-I126 PolarHBondContact O-N 3.26Å; P123-Y127 HydrophobicContact CB-CE2 4.17Å; P123-Y127 WeakPolarHBondContact O-CD2 3.48Å; P123-Y127 PolarHBondContact O-N 3.33Å; P123-Y127 VanDerWaalsContact O-N 3.16Å; P123-E149 HydrophobicContact CB-CG 4.02Å; P123-E149 HydrophobicContact CG-CG 3.62Å; P123-E149 WeakPolarHBondContact CG-OE1 3.23Å
124	L	91.3	Very high	88.8	Confident	6 Å²	6	35.9 Å²	35.9	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-36.7	-179.3	-73.1	-174.6	0	0	0	113.4	E122 I126 Y127 R128 E149 Y150 Q153	E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 PolarHBondContact O-N 2.89Å; L124-I126 VanDerWaalsContact C-N 3.27Å; L124-I126 PolarHBondContact O-N 3.46Å; L124-Y127 PolarHBondContact O-N 2.98Å; L124-R128 WeakPolarHBondContact O-CB 3.42Å; L124-R128 VanDerWaalsContact O-CG 3.26Å; L124-R128 WeakPolarHBondContact O-CG 3.45Å; L124-R128 PolarHBondContact O-N 3.12Å; L124-E149 HydrophobicContact CD2-CB 4.1Å; L124-E149 HydrophobicContact CD2-CG 3.64Å; L124-E149 HydrophobicContact CG-CG 4.01Å; L124-Y150 HydrophobicContact CD1-CD1 4.11Å; L124-Y150 HydrophobicContact CD1-CE1 3.64Å; L124-Y150 HydrophobicContact CD2-CD1 3.99Å; L124-Y150 HydrophobicContact CD2-CD2 4.22Å; L124-Y150 HydrophobicContact CD2-CE1 3.78Å; L124-Y150 HydrophobicContact CD2-CE2 4.06Å; L124-Y150 HydrophobicContact CD2-CG 4.18Å; L124-Y150 HydrophobicContact CG-CE1 4.39Å; L124-Q153 VanDerWaalsContact CD1-CD 3.49Å
125	D	90.5	Very high	88.7	Confident	25 Å²	25	35.2 Å²	35.2	13%	0.134	18%	0.176	C	C	.	.	H	α-helix	trans	-66.4	-34.4	178.4	-76.6	-13.6	0	0	0	111.5	E122 P123 R128 Y129 P285	E122-D125 HydrophobicContact CG-CB 4.31Å; E122-D125 PolarHBondContact O-N 2.71Å; P123-D125 VanDerWaalsContact C-N 3.32Å; P123-D125 PolarHBondContact O-N 3.12Å; D125-R128 PolarHBondContact O-N 3.48Å; D125-R128 IonicContact OD1-CZ 2.8Å; D125-R128 IonicContact OD1-NH1 3.45Å; D125-R128 PolarHBondContact OD1-NH1 3.22Å; D125-Y129 WeakPolarHBondContact O-CB 3.28Å; D125-Y129 PolarHBondContact O-N 3.3Å; D125-P285 HydrophobicContact CB-CB 4.01Å; D125-P285 HydrophobicContact CB-CG 3.82Å; D125-P285 WeakPolarHBondContact O-CG 3.37Å
126	I	91.3	Very high	88.6	Confident	3 Å²	3	34 Å²	34	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-44.2	175.7	-65.6	164.9	0	0	0	110.1	W113 F116 A117 P123 L124 R128 Y129 M130 P285	W113-I126 HydrophobicContact CE3-CG2 3.67Å; W113-I126 HydrophobicContact CZ3-CG2 3.93Å; F116-I126 HydrophobicContact CD1-CD1 3.78Å; F116-I126 HydrophobicContact CD1-CG1 4.35Å; F116-I126 HydrophobicContact CD1-CG2 4.23Å; F116-I126 HydrophobicContact CE1-CD1 3.76Å; F116-I126 HydrophobicContact CE1-CG1 4.22Å; A117-I126 HydrophobicContact CB-CB 4.05Å; A117-I126 HydrophobicContact CB-CD1 4.23Å; A117-I126 HydrophobicContact CB-CG2 3.84Å; P123-I126 WeakPolarHBondContact O-CB 3.22Å; P123-I126 PolarHBondContact O-N 3.26Å; L124-I126 VanDerWaalsContact C-N 3.27Å; L124-I126 PolarHBondContact O-N 3.46Å; I126-R128 PolarHBondContact O-N 3.38Å; I126-Y129 WeakPolarHBondContact O-CB 3.27Å; I126-Y129 PolarHBondContact O-N 3.29Å; I126-M130 HydrophobicContact CG2-SD 4.47Å; I126-M130 WeakPolarHBondContact O-CG 3.29Å; I126-M130 PolarHBondContact O-N 3.42Å; I126-P285 HydrophobicContact CG1-CB 4.48Å; I126-P285 HydrophobicContact CG1-CG 4.35Å
127	Y	92.6	Very high	88.7	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-37.1	175.6	-65.3	-58.8	0	0	0	113.1	I114 A117 P123 L124 Y129 M130 R131 F142 A145 W146 E149	I114-Y127 HydrophobicContact CG1-CE1 4.29Å; A117-Y127 HydrophobicContact CB-CE1 4.24Å; A117-Y127 HydrophobicContact CB-CE2 4.11Å; P123-Y127 HydrophobicContact CB-CE2 4.17Å; P123-Y127 WeakPolarHBondContact O-CD2 3.48Å; P123-Y127 PolarHBondContact O-N 3.33Å; P123-Y127 VanDerWaalsContact O-N 3.16Å; L124-Y127 PolarHBondContact O-N 2.98Å; Y127-Y129 VanDerWaalsContact C-N 3.33Å; Y127-M130 HydrophobicContact CD1-SD 4.07Å; Y127-M130 PolarHBondContact O-N 3.28Å; Y127-R131 PolarHBondContact O-N 3.4Å; Y127-F142 HydrophobicContact CD1-CD2 4.09Å; Y127-F142 AromaticContact CD1-CE2 3.84Å; Y127-F142 HydrophobicContact CD1-CE2 3.84Å; Y127-A145 HydrophobicContact CE1-CB 4.11Å; Y127-A145 WeakPolarHBondContact OH-CB 3.31Å; Y127-W146 HydrophobicContact CD1-CB 3.94Å; Y127-W146 HydrophobicContact CD1-CG 4.3Å; Y127-W146 HydrophobicContact CD2-CB 4.22Å; Y127-W146 AromaticContact CD2-CD1 3.63Å; Y127-W146 HydrophobicContact CD2-CG 4.17Å; Y127-W146 HydrophobicContact CE1-CB 4.4Å; Y127-W146 HydrophobicContact CG-CB 3.85Å; Y127-W146 AromaticContact CG-CD1 3.57Å; Y127-W146 AromaticContact CG-CG 3.77Å; Y127-W146 HydrophobicContact CG-CG 3.77Å; Y127-E149 HydrophobicContact CD2-CB 4.47Å; Y127-E149 HydrophobicContact CE2-CB 4.01Å; Y127-E149 HydrophobicContact CE2-CG 4.32Å
128	R	90.9	Very high	88.7	Confident	103 Å²	103	40.1 Å²	40.1	39%	0.389	20%	0.201	S	C	.	.	H	α-helix	trans	-61.3	-43.3	172.1	-73.3	167.3	178.2	161.6	-2.4	111.1	L124 D125 I126 R131 A132	L124-R128 WeakPolarHBondContact O-CB 3.42Å; L124-R128 VanDerWaalsContact O-CG 3.26Å; L124-R128 WeakPolarHBondContact O-CG 3.45Å; L124-R128 PolarHBondContact O-N 3.12Å; D125-R128 PolarHBondContact O-N 3.48Å; D125-R128 IonicContact OD1-CZ 2.8Å; D125-R128 IonicContact OD1-NH1 3.45Å; D125-R128 PolarHBondContact OD1-NH1 3.22Å; I126-R128 PolarHBondContact O-N 3.38Å; R128-R131 PolarHBondContact O-N 3.49Å; R128-A132 WeakPolarHBondContact O-CB 3.33Å; R128-A132 PolarHBondContact O-N 2.94Å
129	Y	89.9	Confident	89	Confident	10 Å²	10	37.3 Å²	37.3	4%	0.039	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-47.3	175.3	178.2	-93.6	0	0	0	111.9	W113 D125 I126 Y127 R131 A132 Q133 I135 W281 A283 P284	W113-Y129 AromaticContact CH2-CD1 3.51Å; W113-Y129 HydrophobicContact CH2-CD1 3.51Å; W113-Y129 AromaticContact CH2-CE1 3.33Å; W113-Y129 HydrophobicContact CH2-CE1 3.33Å; W113-Y129 HydrophobicContact CZ2-CD1 4.21Å; W113-Y129 AromaticContact CZ2-CE1 3.8Å; W113-Y129 HydrophobicContact CZ2-CE1 3.8Å; W113-Y129 AromaticContact CZ3-CD1 3.94Å; W113-Y129 HydrophobicContact CZ3-CD1 3.94Å; W113-Y129 HydrophobicContact CZ3-CE1 4.22Å; D125-Y129 WeakPolarHBondContact O-CB 3.28Å; D125-Y129 PolarHBondContact O-N 3.3Å; I126-Y129 WeakPolarHBondContact O-CB 3.27Å; I126-Y129 PolarHBondContact O-N 3.29Å; Y127-Y129 VanDerWaalsContact C-N 3.33Å; Y129-R131 VanDerWaalsContact C-N 3.31Å; Y129-R131 PolarHBondContact O-N 3.28Å; Y129-A132 PolarHBondContact O-N 2.9Å; Y129-A132 VanDerWaalsContact O-N 3.11Å; Y129-Q133 HydrophobicContact CD1-CG 4.24Å; Y129-Q133 HydrophobicContact CD2-CG 4.27Å; Y129-Q133 HydrophobicContact CE1-CG 3.73Å; Y129-Q133 HydrophobicContact CE2-CG 3.77Å; Y129-Q133 HydrophobicContact CG-CG 4.49Å; Y129-Q133 VanDerWaalsContact CZ-CG 3.49Å; Y129-Q133 PolarHBondContact O-N 2.97Å; Y129-I135 HydrophobicContact CE1-CD1 4.28Å; Y129-W281 HydrophobicContact CD2-CB 3.6Å; Y129-W281 HydrophobicContact CD2-CD2 4.43Å; Y129-W281 HydrophobicContact CD2-CE3 4.14Å; Y129-W281 HydrophobicContact CD2-CG 4.28Å; Y129-W281 HydrophobicContact CE2-CB 3.94Å; Y129-A283 WeakPolarHBondContact CE2-O 3.44Å; Y129-P284 HydrophobicContact CD1-CB 4.32Å; Y129-P284 HydrophobicContact CE1-CB 3.97Å; Y129-P284 HydrophobicContact CE2-CB 4.24Å
130	M	90.9	Very high	89.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-44.4	175.9	-70.8	175.7	76.7	0	0	111.6	V110 W113 I126 Y127 A132 Q133 G134 I135 F142	V110-M130 HydrophobicContact CG1-CE 4.28Å; W113-M130 HydrophobicContact CB-CE 3.49Å; W113-M130 VanDerWaalsContact CB-CE 3.49Å; W113-M130 HydrophobicContact CB-CG 4.42Å; W113-M130 HydrophobicContact CB-SD 3.62Å; W113-M130 HydrophobicContact CD2-CG 4.04Å; W113-M130 HydrophobicContact CD2-SD 4.33Å; W113-M130 HydrophobicContact CE3-CG 4.02Å; W113-M130 HydrophobicContact CE3-SD 4.37Å; W113-M130 HydrophobicContact CG-CE 3.96Å; W113-M130 HydrophobicContact CG-CG 4.27Å; W113-M130 HydrophobicContact CG-SD 4.1Å; I126-M130 HydrophobicContact CG2-SD 4.47Å; I126-M130 WeakPolarHBondContact O-CG 3.29Å; I126-M130 PolarHBondContact O-N 3.42Å; Y127-M130 HydrophobicContact CD1-SD 4.07Å; Y127-M130 PolarHBondContact O-N 3.28Å; M130-A132 PolarHBondContact O-N 3.04Å; M130-Q133 PolarHBondContact O-N 3.2Å; M130-G134 PolarHBondContact O-N 3.12Å; M130-I135 HydrophobicContact CB-CB 4.24Å; M130-I135 HydrophobicContact CE-CG2 4.04Å; M130-I135 HydrophobicContact CG-CB 4.42Å; M130-I135 PolarHBondContact O-N 3.16Å; M130-F142 HydrophobicContact CB-CD2 4.33Å; M130-F142 HydrophobicContact CB-CE2 3.6Å; M130-F142 HydrophobicContact CB-CZ 4.15Å; M130-F142 HydrophobicContact CE-CD2 3.57Å; M130-F142 HydrophobicContact CE-CE2 4.02Å; M130-F142 HydrophobicContact CE-CG 4.46Å; M130-F142 HydrophobicContact CG-CE2 4.39Å; M130-F142 HydrophobicContact SD-CD2 3.93Å; M130-F142 HydrophobicContact SD-CE2 3.89Å
131	R	91.1	Very high	90.4	Very high	87 Å²	87	35.7 Å²	35.7	33%	0.328	17%	0.173	S	C	.	.	H	α-helix	trans	-61.2	-44	174.6	-178.4	179.3	-176	-159.2	3.6	112.1	Y127 R128 Y129 G134 F142 W146 E165	Y127-R131 PolarHBondContact O-N 3.4Å; R128-R131 PolarHBondContact O-N 3.49Å; Y129-R131 VanDerWaalsContact C-N 3.31Å; Y129-R131 PolarHBondContact O-N 3.28Å; R131-G134 PolarHBondContact O-N 3.15Å; R131-F142 HydrophobicContact CB-CZ 4.19Å; R131-W146 VanDerWaalsContact CD-CH2 3.42Å; R131-E165 IonicContact NH2-OE1 2.7Å
132	A	89.2	Confident	91.2	Very high	14 Å²	14	29.7 Å²	29.7	12%	0.116	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-39.7	-179.8	0	0	0	0	0	112.6	R128 Y129 M130 L278 W281	R128-A132 WeakPolarHBondContact O-CB 3.33Å; R128-A132 PolarHBondContact O-N 2.94Å; Y129-A132 PolarHBondContact O-N 2.9Å; Y129-A132 VanDerWaalsContact O-N 3.11Å; M130-A132 PolarHBondContact O-N 3.04Å; A132-L278 HydrophobicContact CB-CD1 4.21Å; A132-L278 HydrophobicContact CB-CG 4.32Å; A132-W281 HydrophobicContact CB-CB 4.45Å; A132-W281 HydrophobicContact CB-CG 4.46Å
133	Q	87.4	Confident	91.8	Very high	60 Å²	60	26.1 Å²	26.1	28%	0.28	13%	0.129	S	C	.	.	H	α-helix	trans	-84.4	-10	179.3	-68.9	-58.9	-29.6	0	0	114.1	Y129 M130 I135 W281	Y129-Q133 HydrophobicContact CD1-CG 4.24Å; Y129-Q133 HydrophobicContact CD2-CG 4.27Å; Y129-Q133 HydrophobicContact CE1-CG 3.73Å; Y129-Q133 HydrophobicContact CE2-CG 3.77Å; Y129-Q133 HydrophobicContact CG-CG 4.49Å; Y129-Q133 VanDerWaalsContact CZ-CG 3.49Å; Y129-Q133 PolarHBondContact O-N 2.97Å; M130-Q133 PolarHBondContact O-N 3.2Å; Q133-I135 HydrophobicContact CB-CD1 3.84Å; Q133-I135 HydrophobicContact CB-CG1 3.83Å; Q133-W281 PolarHBondContact NE2-O 3.35Å
134	G	88.6	Confident	92.1	Very high	26 Å²	26	25.8 Å²	25.8	27%	0.268	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	20.3	-177	0	0	0	0	0	114.2	M130 R131 V137	M130-G134 PolarHBondContact O-N 3.12Å; R131-G134 PolarHBondContact O-N 3.15Å; G134-V137 VanDerWaalsContact C-CG2 3.5Å; G134-V137 WeakPolarHBondContact O-CG2 3.47Å
135	I	91.3	Very high	92.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	125.6	179.8	-56.4	170.8	0	0	0	109.4	Y109 W113 Y129 M130 Q133 V137	Y109-I135 HydrophobicContact CD1-CG2 3.98Å; Y109-I135 HydrophobicContact CE1-CD1 4.49Å; Y109-I135 HydrophobicContact CE1-CG2 3.81Å; W113-I135 HydrophobicContact CG-CG2 4.47Å; W113-I135 HydrophobicContact CZ2-CD1 3.58Å; Y129-I135 HydrophobicContact CE1-CD1 4.28Å; M130-I135 HydrophobicContact CB-CB 4.24Å; M130-I135 HydrophobicContact CE-CG2 4.04Å; M130-I135 HydrophobicContact CG-CB 4.42Å; M130-I135 PolarHBondContact O-N 3.16Å; Q133-I135 HydrophobicContact CB-CD1 3.84Å; Q133-I135 HydrophobicContact CB-CG1 3.83Å; I135-V137 PolarHBondContact O-N 3.12Å
136	G	90.2	Very high	92.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	16.6	175.8	0	0	0	0	0	114.7	H104 Q138 Q139	H104-G136 WeakPolarHBondContact O-CA 3.24Å; H104-G136 PolarHBondContact O-N 3.16Å; G136-Q138 PolarHBondContact O-N 3.15Å; G136-Q139 PolarHBondContact O-N 3.06Å
137	V	91.6	Very high	92.7	Very high	23 Å²	23	25 Å²	25	14%	0.139	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.1	-175.3	171.2	0	0	0	0	112.7	G134 I135 Y143 R169	G134-V137 VanDerWaalsContact C-CG2 3.5Å; G134-V137 WeakPolarHBondContact O-CG2 3.47Å; I135-V137 PolarHBondContact O-N 3.12Å; V137-Y143 WeakPolarHBondContact O-CE2 3.45Å; V137-Y143 PolarHBondContact O-OH 2.99Å; V137-R169 HydrophobicContact CG1-CB 4.39Å; V137-R169 HydrophobicContact CG1-CG 4.44Å
138	Q	92.5	Very high	92.8	Very high	113 Å²	113	27.2 Å²	27.2	53%	0.528	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	0.1	175.7	-63	-178	-2.6	0	0	113.4	N105 G136 A171 E172	N105-Q138 PolarHBondContact OD1-N 3.46Å; G136-Q138 PolarHBondContact O-N 3.15Å; Q138-A171 CarbonylContact O-C 3.51Å; Q138-A171 VanDerWaalsContact O-CA 3.29Å; Q138-A171 WeakPolarHBondContact O-CA 3.49Å; Q138-E172 PolarHBondContact O-N 3.32Å
139	Q	95.1	Very high	93	Very high	35 Å²	35	24.2 Å²	24.2	16%	0.164	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-103.8	127.3	-174.3	-70.1	-66.7	-11	0	0	111.6	N105 V110 G136 S141 F142 Y143 E172	N105-Q139 PolarHBondContact O-NE2 2.7Å; V110-Q139 HydrophobicContact CG1-CB 4.36Å; V110-Q139 HydrophobicContact CG2-CB 4.21Å; V110-Q139 HydrophobicContact CG2-CG 4Å; G136-Q139 PolarHBondContact O-N 3.06Å; Q139-S141 VanDerWaalsContact C-N 3.28Å; Q139-S141 PolarHBondContact O-N 3.42Å; Q139-F142 PolarHBondContact O-N 3.46Å; Q139-Y143 VanDerWaalsContact O-CD2 3.29Å; Q139-Y143 WeakPolarHBondContact O-CD2 3.36Å; Q139-E172 PolarHBondContact OE1-O 3.34Å
140	A	95.8	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-31.6	179.4	0	0	0	0	0	112.3	F142 Y143 I144 A171 E172 L177	A140-F142 PolarHBondContact O-N 3.4Å; A140-Y143 PolarHBondContact O-N 3.35Å; A140-I144 HydrophobicContact CB-CD1 4.45Å; A140-I144 WeakPolarHBondContact O-CD1 3.31Å; A140-I144 VanDerWaalsContact O-CG1 3.24Å; A140-I144 WeakPolarHBondContact O-CG1 3.37Å; A140-I144 PolarHBondContact O-N 3.2Å; A140-A171 HydrophobicContact CB-CB 4.47Å; A140-E172 WeakPolarHBondContact CB-O 2.97Å; A140-E172 PolarHBondContact N-O 3.18Å; A140-L177 HydrophobicContact CB-CB 4.07Å; A140-L177 HydrophobicContact CB-CD1 4.46Å
141	S	94.9	Very high	93.3	Very high	21 Å²	21	26.9 Å²	26.9	15%	0.147	14%	0.136	C	C	.	.	H	α-helix	trans	-58.1	-36	178.7	52.7	0	0	0	0	112.7	Q139 A145	Q139-S141 VanDerWaalsContact C-N 3.28Å; Q139-S141 PolarHBondContact O-N 3.42Å; S141-A145 WeakPolarHBondContact O-CB 3.49Å; S141-A145 PolarHBondContact O-N 2.87Å
142	F	95.9	Very high	93.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62	-53.6	177.3	167.9	-113.3	0	0	0	111.8	V110 Y127 M130 R131 Q139 A140 I144 A145 W146	V110-F142 HydrophobicContact CG1-CB 3.96Å; Y127-F142 HydrophobicContact CD1-CD2 4.09Å; Y127-F142 AromaticContact CD1-CE2 3.84Å; Y127-F142 HydrophobicContact CD1-CE2 3.84Å; M130-F142 HydrophobicContact CB-CD2 4.33Å; M130-F142 HydrophobicContact CB-CE2 3.6Å; M130-F142 HydrophobicContact CB-CZ 4.15Å; M130-F142 HydrophobicContact CE-CD2 3.57Å; M130-F142 HydrophobicContact CE-CE2 4.02Å; M130-F142 HydrophobicContact CE-CG 4.46Å; M130-F142 HydrophobicContact CG-CE2 4.39Å; M130-F142 HydrophobicContact SD-CD2 3.93Å; M130-F142 HydrophobicContact SD-CE2 3.89Å; R131-F142 HydrophobicContact CB-CZ 4.19Å; Q139-F142 PolarHBondContact O-N 3.46Å; A140-F142 PolarHBondContact O-N 3.4Å; F142-I144 VanDerWaalsContact C-N 3.34Å; F142-I144 PolarHBondContact O-N 3.43Å; F142-A145 PolarHBondContact O-N 2.72Å; F142-W146 AromaticContact CE1-CE3 3.98Å; F142-W146 HydrophobicContact CE1-CE3 3.98Å; F142-W146 HydrophobicContact CE1-CZ3 4.41Å; F142-W146 HydrophobicContact CZ-CD2 4.38Å; F142-W146 AromaticContact CZ-CE3 3.78Å; F142-W146 HydrophobicContact CZ-CE3 3.78Å; F142-W146 HydrophobicContact CZ-CZ3 4.32Å; F142-W146 VanDerWaalsContact O-CB 3.28Å; F142-W146 WeakPolarHBondContact O-CB 3.3Å; F142-W146 PolarHBondContact O-N 2.9Å
143	Y	96.5	Very high	93.5	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-37.3	-179.5	-60.4	-82.1	0	0	0	112.4	V137 Q139 A140 S147 V162 E165 R169 A171	V137-Y143 WeakPolarHBondContact O-CE2 3.45Å; V137-Y143 PolarHBondContact O-OH 2.99Å; Q139-Y143 VanDerWaalsContact O-CD2 3.29Å; Q139-Y143 WeakPolarHBondContact O-CD2 3.36Å; A140-Y143 PolarHBondContact O-N 3.35Å; Y143-S147 VanDerWaalsContact O-CB 3.23Å; Y143-S147 WeakPolarHBondContact O-CB 3.27Å; Y143-S147 PolarHBondContact O-N 3.36Å; Y143-S147 PolarHBondContact O-OG 3.24Å; Y143-S147 VanDerWaalsContact O-OG 3.11Å; Y143-V162 HydrophobicContact CD1-CG1 4.09Å; Y143-V162 WeakPolarHBondContact CD1-O 3.42Å; Y143-E165 HydrophobicContact CE1-CB 4.44Å; Y143-E165 HydrophobicContact CE1-CG 4.13Å; Y143-R169 WeakPolarHBondContact OH-CD 3.05Å; Y143-A171 HydrophobicContact CD2-CB 3.67Å; Y143-A171 HydrophobicContact CE2-CB 3.52Å
144	I	95.9	Very high	93.6	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.051	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-56.1	175.8	-67.5	165.3	0	0	0	109.6	A140 F142 W146 S147 E148 Y163 K176 L177 F180	A140-I144 HydrophobicContact CB-CD1 4.45Å; A140-I144 WeakPolarHBondContact O-CD1 3.31Å; A140-I144 VanDerWaalsContact O-CG1 3.24Å; A140-I144 WeakPolarHBondContact O-CG1 3.37Å; A140-I144 PolarHBondContact O-N 3.2Å; F142-I144 VanDerWaalsContact C-N 3.34Å; F142-I144 PolarHBondContact O-N 3.43Å; I144-W146 VanDerWaalsContact C-N 3.31Å; I144-W146 PolarHBondContact O-N 3.46Å; I144-S147 PolarHBondContact O-N 3.07Å; I144-S147 PolarHBondContact O-OG 3.31Å; I144-E148 HydrophobicContact CG2-CG 4.45Å; I144-E148 WeakPolarHBondContact O-CG 3.34Å; I144-E148 PolarHBondContact O-N 2.9Å; I144-Y163 HydrophobicContact CG1-CE1 4.17Å; I144-K176 HydrophobicContact CD1-CD 4.24Å; I144-K176 HydrophobicContact CD1-CG 3.96Å; I144-L177 HydrophobicContact CG1-CD1 3.98Å; I144-F180 HydrophobicContact CD1-CB 4.22Å; I144-F180 HydrophobicContact CD1-CD2 3.9Å; I144-F180 HydrophobicContact CD1-CE2 4.4Å; I144-F180 HydrophobicContact CD1-CG 3.96Å; I144-F180 HydrophobicContact CG1-CB 4.01Å; I144-F180 HydrophobicContact CG1-CD1 4.46Å; I144-F180 HydrophobicContact CG1-CG 4.1Å; I144-F180 HydrophobicContact CG2-CB 4.42Å; I144-F180 HydrophobicContact CG2-CD1 3.44Å; I144-F180 VanDerWaalsContact CG2-CD1 3.44Å; I144-F180 HydrophobicContact CG2-CE1 3.75Å; I144-F180 HydrophobicContact CG2-CG 3.93Å; I144-F180 HydrophobicContact CG2-CZ 4.47Å
145	A	95.4	Very high	93.8	Very high	10 Å²	10	34.7 Å²	34.7	8%	0.083	19%	0.188	C	C	.	.	H	α-helix	trans	-62.8	-37.9	-177.8	0	0	0	0	0	112.4	I114 Y127 S141 F142 E149	I114-A145 HydrophobicContact CD1-CB 4.01Å; I114-A145 HydrophobicContact CG1-CB 4.04Å; I114-A145 HydrophobicContact CG2-CB 3.84Å; Y127-A145 HydrophobicContact CE1-CB 4.11Å; Y127-A145 WeakPolarHBondContact OH-CB 3.31Å; S141-A145 WeakPolarHBondContact O-CB 3.49Å; S141-A145 PolarHBondContact O-N 2.87Å; F142-A145 PolarHBondContact O-N 2.72Å; A145-E149 PolarHBondContact O-N 3.42Å
146	W	95.6	Very high	93.9	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.027	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-40.3	176.9	-172.9	20.6	0	0	0	112.6	Y127 R131 F142 I144 E149 Y150 V162	Y127-W146 HydrophobicContact CD1-CB 3.94Å; Y127-W146 HydrophobicContact CD1-CG 4.3Å; Y127-W146 HydrophobicContact CD2-CB 4.22Å; Y127-W146 AromaticContact CD2-CD1 3.63Å; Y127-W146 HydrophobicContact CD2-CG 4.17Å; Y127-W146 HydrophobicContact CE1-CB 4.4Å; Y127-W146 HydrophobicContact CG-CB 3.85Å; Y127-W146 AromaticContact CG-CD1 3.57Å; Y127-W146 AromaticContact CG-CG 3.77Å; Y127-W146 HydrophobicContact CG-CG 3.77Å; R131-W146 VanDerWaalsContact CD-CH2 3.42Å; F142-W146 AromaticContact CE1-CE3 3.98Å; F142-W146 HydrophobicContact CE1-CE3 3.98Å; F142-W146 HydrophobicContact CE1-CZ3 4.41Å; F142-W146 HydrophobicContact CZ-CD2 4.38Å; F142-W146 AromaticContact CZ-CE3 3.78Å; F142-W146 HydrophobicContact CZ-CE3 3.78Å; F142-W146 HydrophobicContact CZ-CZ3 4.32Å; F142-W146 VanDerWaalsContact O-CB 3.28Å; F142-W146 WeakPolarHBondContact O-CB 3.3Å; F142-W146 PolarHBondContact O-N 2.9Å; I144-W146 VanDerWaalsContact C-N 3.31Å; I144-W146 PolarHBondContact O-N 3.46Å; W146-E149 PolarHBondContact O-N 3.5Å; W146-Y150 AromaticContact CD1-CE2 3.75Å; W146-Y150 AromaticContact CE2-CE2 3.64Å; W146-Y150 AromaticContact CZ2-CE2 3.99Å; W146-Y150 HydrophobicContact CZ2-CE2 3.99Å; W146-Y150 AromaticContact NE1-CD2 3.88Å; W146-Y150 AromaticContact NE1-CE2 3.15Å; W146-Y150 AromaticContact NE1-CZ 3.83Å; W146-Y150 PolarHBondContact O-N 3.14Å; W146-V162 HydrophobicContact CB-CG1 4.15Å; W146-V162 HydrophobicContact CD2-CG1 3.8Å; W146-V162 HydrophobicContact CD2-CG2 3.84Å; W146-V162 HydrophobicContact CE3-CB 4.27Å; W146-V162 HydrophobicContact CE3-CG1 3.41Å; W146-V162 VanDerWaalsContact CE3-CG1 3.41Å; W146-V162 HydrophobicContact CE3-CG2 3.83Å; W146-V162 HydrophobicContact CG-CG1 4.13Å; W146-V162 HydrophobicContact CG-CG2 4.46Å; W146-V162 HydrophobicContact CH2-CG2 3.91Å; W146-V162 HydrophobicContact CZ2-CG2 4Å; W146-V162 HydrophobicContact CZ3-CB 4.48Å; W146-V162 HydrophobicContact CZ3-CG1 3.98Å; W146-V162 HydrophobicContact CZ3-CG2 3.85Å
147	S	95.8	Very high	94.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-38.4	176.6	71.7	0	0	0	0	113	Y143 I144 E149 Y150 E151 A159 Y163	Y143-S147 VanDerWaalsContact O-CB 3.23Å; Y143-S147 WeakPolarHBondContact O-CB 3.27Å; Y143-S147 PolarHBondContact O-N 3.36Å; Y143-S147 PolarHBondContact O-OG 3.24Å; Y143-S147 VanDerWaalsContact O-OG 3.11Å; I144-S147 PolarHBondContact O-N 3.07Å; I144-S147 PolarHBondContact O-OG 3.31Å; S147-E149 VanDerWaalsContact C-N 3.26Å; S147-E149 PolarHBondContact O-N 3.46Å; S147-Y150 PolarHBondContact O-N 3.02Å; S147-E151 PolarHBondContact O-N 3.49Å; S147-A159 WeakPolarHBondContact O-CB 3.33Å; S147-Y163 WeakPolarHBondContact OG-CE2 3.43Å; S147-Y163 PolarHBondContact OG-OH 3.17Å
148	E	94.8	Very high	94.2	Very high	50 Å²	50	47 Å²	47	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-38.4	175.5	-76.7	179.8	177	0	0	110.7	I144 E151 N152	I144-E148 HydrophobicContact CG2-CG 4.45Å; I144-E148 WeakPolarHBondContact O-CG 3.34Å; I144-E148 PolarHBondContact O-N 2.9Å; E148-E151 WeakPolarHBondContact O-CB 3.45Å; E148-E151 PolarHBondContact O-N 2.74Å; E148-N152 PolarHBondContact O-N 3.32Å; E148-N152 PolarHBondContact O-ND2 2.88Å
149	E	94.6	Very high	94.3	Very high	41 Å²	41	41.7 Å²	41.7	19%	0.192	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-40	176.6	-172.5	54.3	-146.3	0	0	112.5	P123 L124 Y127 A145 W146 S147 E151 N152 Q153	P123-E149 HydrophobicContact CB-CG 4.02Å; P123-E149 HydrophobicContact CG-CG 3.62Å; P123-E149 WeakPolarHBondContact CG-OE1 3.23Å; L124-E149 HydrophobicContact CD2-CB 4.1Å; L124-E149 HydrophobicContact CD2-CG 3.64Å; L124-E149 HydrophobicContact CG-CG 4.01Å; Y127-E149 HydrophobicContact CD2-CB 4.47Å; Y127-E149 HydrophobicContact CE2-CB 4.01Å; Y127-E149 HydrophobicContact CE2-CG 4.32Å; A145-E149 PolarHBondContact O-N 3.42Å; W146-E149 PolarHBondContact O-N 3.5Å; S147-E149 VanDerWaalsContact C-N 3.26Å; S147-E149 PolarHBondContact O-N 3.46Å; E149-E151 VanDerWaalsContact C-N 3.33Å; E149-N152 PolarHBondContact O-N 3.12Å; E149-Q153 WeakPolarHBondContact O-CG 3.48Å; E149-Q153 PolarHBondContact O-N 3.31Å; E149-Q153 PolarHBondContact OE1-NE2 3.21Å
150	Y	94.3	Very high	94.3	Very high	27 Å²	27	41.9 Å²	41.9	11%	0.106	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-36.6	172.5	-83.6	-57.6	0	0	0	112.9	L124 W146 S147 Q153 G154 N155 T158 V162	L124-Y150 HydrophobicContact CD1-CD1 4.11Å; L124-Y150 HydrophobicContact CD1-CE1 3.64Å; L124-Y150 HydrophobicContact CD2-CD1 3.99Å; L124-Y150 HydrophobicContact CD2-CD2 4.22Å; L124-Y150 HydrophobicContact CD2-CE1 3.78Å; L124-Y150 HydrophobicContact CD2-CE2 4.06Å; L124-Y150 HydrophobicContact CD2-CG 4.18Å; L124-Y150 HydrophobicContact CG-CE1 4.39Å; W146-Y150 AromaticContact CD1-CE2 3.75Å; W146-Y150 AromaticContact CE2-CE2 3.64Å; W146-Y150 AromaticContact CZ2-CE2 3.99Å; W146-Y150 HydrophobicContact CZ2-CE2 3.99Å; W146-Y150 AromaticContact NE1-CD2 3.88Å; W146-Y150 AromaticContact NE1-CE2 3.15Å; W146-Y150 AromaticContact NE1-CZ 3.83Å; W146-Y150 PolarHBondContact O-N 3.14Å; S147-Y150 PolarHBondContact O-N 3.02Å; Y150-Q153 PolarHBondContact O-N 3.21Å; Y150-G154 PolarHBondContact O-N 2.98Å; Y150-N155 HydrophobicContact CD1-CB 4.37Å; Y150-N155 PolarHBondContact O-N 3.38Å; Y150-T158 WeakPolarHBondContact CD1-OG1 3.19Å; Y150-V162 HydrophobicContact CD2-CG2 3.97Å; Y150-V162 HydrophobicContact CE2-CG2 3.9Å
151	E	93.4	Very high	94.3	Very high	38 Å²	38	44.9 Å²	44.9	18%	0.178	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-43.6	174.5	-173.6	179.6	-172.1	0	0	111.2	S147 E148 E149 Q153 G154 L184 R187	S147-E151 PolarHBondContact O-N 3.49Å; E148-E151 WeakPolarHBondContact O-CB 3.45Å; E148-E151 PolarHBondContact O-N 2.74Å; E149-E151 VanDerWaalsContact C-N 3.33Å; E151-Q153 PolarHBondContact O-N 2.69Å; E151-G154 WeakPolarHBondContact O-CA 3.4Å; E151-G154 PolarHBondContact O-N 3.31Å; E151-L184 HydrophobicContact CB-CD1 4.2Å; E151-L184 HydrophobicContact CG-CD1 3.85Å; E151-L184 WeakPolarHBondContact OE2-CD1 3.44Å; E151-R187 IonicContact OE1-CZ 3.84Å; E151-R187 IonicContact OE1-NE 3.17Å; E151-R187 PolarHBondContact OE1-NE 3.23Å; E151-R187 IonicContact OE1-NH2 3.43Å; E151-R187 PolarHBondContact OE1-NH2 2.88Å; E151-R187 IonicContact OE2-CZ 2.81Å; E151-R187 IonicContact OE2-NE 3.92Å; E151-R187 IonicContact OE2-NH2 3.22Å; E151-R187 PolarHBondContact OE2-NH2 2.99Å
152	N	92.1	Very high	94.4	Very high	122 Å²	122	44.2 Å²	44.2	65%	0.652	23%	0.234	S	C	*	.	H	α-helix	trans	-60.5	-31.6	176.2	-69.2	-26.2	0	0	0	112.8	E148 E149 G154	E148-N152 PolarHBondContact O-N 3.32Å; E148-N152 PolarHBondContact O-ND2 2.88Å; E149-N152 PolarHBondContact O-N 3.12Å; N152-G154 VanDerWaalsContact C-N 3.27Å
153	Q	91.5	Very high	94.4	Very high	105 Å²	105	44.2 Å²	44.2	49%	0.491	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-1	174.4	-65.2	-177.1	22.2	0	0	113.6	L124 E149 Y150 E151 N155	L124-Q153 VanDerWaalsContact CD1-CD 3.49Å; E149-Q153 WeakPolarHBondContact O-CG 3.48Å; E149-Q153 PolarHBondContact O-N 3.31Å; E149-Q153 PolarHBondContact OE1-NE2 3.21Å; Y150-Q153 PolarHBondContact O-N 3.21Å; E151-Q153 PolarHBondContact O-N 2.69Å; Q153-N155 VanDerWaalsContact C-N 3.33Å
154	G	89.9	Confident	94.3	Very high	56 Å²	56	48.5 Å²	48.5	58%	0.577	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	4.3	-179	0	0	0	0	0	114.7	Y150 E151 N152 S156	Y150-G154 PolarHBondContact O-N 2.98Å; E151-G154 WeakPolarHBondContact O-CA 3.4Å; E151-G154 PolarHBondContact O-N 3.31Å; N152-G154 VanDerWaalsContact C-N 3.27Å; G154-S156 PolarHBondContact O-N 2.92Å
155	N	93.1	Very high	94.3	Very high	69 Å²	69	49.4 Å²	49.4	37%	0.369	26%	0.258	S	S	.	.			trans	-91.8	75.5	179.9	-162.6	-17.4	0	0	0	112	Y150 Q153 R157 T158 A159	Y150-N155 HydrophobicContact CD1-CB 4.37Å; Y150-N155 PolarHBondContact O-N 3.38Å; Q153-N155 VanDerWaalsContact C-N 3.33Å; N155-R157 VanDerWaalsContact C-N 3.26Å; N155-R157 PolarHBondContact O-N 3.43Å; N155-T158 WeakPolarHBondContact CB-OG1 3.46Å; N155-T158 WeakPolarHBondContact ND2-CG2 3.34Å; N155-T158 PolarHBondContact ND2-OG1 3.36Å; N155-T158 PolarHBondContact O-N 3.04Å; N155-T158 PolarHBondContact O-OG1 3.28Å; N155-T158 VanDerWaalsContact O-OG1 3.11Å; N155-T158 PolarHBondContact OD1-N 3.46Å; N155-T158 PolarHBondContact OD1-OG1 3.37Å; N155-A159 PolarHBondContact O-N 3Å; N155-A159 VanDerWaalsContact O-N 3.17Å
156	S	93.1	Very high	94.2	Very high	31 Å²	31	48.9 Å²	48.9	22%	0.217	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-29	-178.7	-60.8	0	0	0	0	113.3	G154 D160	G154-S156 PolarHBondContact O-N 2.92Å; S156-D160 PolarHBondContact O-N 2.9Å; S156-D160 VanDerWaalsContact O-N 3.09Å
157	R	93.7	Very high	94.2	Very high	210 Å²	210	51.5 Å²	51.5	79%	0.792	27%	0.266	S	S	*	.	H	α-helix	trans	-70.6	-44.6	-178.7	-175.5	-176.5	-70	-174.2	-1	111.6	N155 A159 D160 S161	N155-R157 VanDerWaalsContact C-N 3.26Å; N155-R157 PolarHBondContact O-N 3.43Å; R157-A159 VanDerWaalsContact C-N 3.34Å; R157-D160 PolarHBondContact O-N 3.48Å; R157-S161 PolarHBondContact O-N 2.93Å; R157-S161 VanDerWaalsContact O-N 3.16Å; R157-S161 PolarHBondContact O-OG 3.44Å
158	T	94.1	Very high	94.1	Very high	42 Å²	42	58.7 Å²	58.7	26%	0.258	30%	0.297	S	S	.	.	H	α-helix	trans	-69.9	-35.4	176	55.3	0	0	0	0	111.1	Y150 N155 D160 S161 V162	Y150-T158 WeakPolarHBondContact CD1-OG1 3.19Å; N155-T158 WeakPolarHBondContact CB-OG1 3.46Å; N155-T158 WeakPolarHBondContact ND2-CG2 3.34Å; N155-T158 PolarHBondContact ND2-OG1 3.36Å; N155-T158 PolarHBondContact O-N 3.04Å; N155-T158 PolarHBondContact O-OG1 3.28Å; N155-T158 VanDerWaalsContact O-OG1 3.11Å; N155-T158 PolarHBondContact OD1-N 3.46Å; N155-T158 PolarHBondContact OD1-OG1 3.37Å; T158-D160 VanDerWaalsContact C-N 3.35Å; T158-D160 PolarHBondContact O-N 3.05Å; T158-S161 WeakPolarHBondContact O-CB 3.39Å; T158-S161 PolarHBondContact O-N 3.31Å; T158-V162 WeakPolarHBondContact O-CG2 3.37Å; T158-V162 PolarHBondContact O-N 3.02Å
159	A	94.9	Very high	94	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.1	-45.9	173.6	0	0	0	0	0	112.1	S147 N155 R157 S161 V162 Y163 L184	S147-A159 WeakPolarHBondContact O-CB 3.33Å; N155-A159 PolarHBondContact O-N 3Å; N155-A159 VanDerWaalsContact O-N 3.17Å; R157-A159 VanDerWaalsContact C-N 3.34Å; A159-S161 PolarHBondContact O-N 3.41Å; A159-V162 PolarHBondContact O-N 2.87Å; A159-Y163 WeakPolarHBondContact O-CD2 3.38Å; A159-Y163 PolarHBondContact O-N 3.12Å; A159-L184 HydrophobicContact CB-CD2 3.93Å
160	D	95.3	Very high	93.8	Very high	40 Å²	40	60.8 Å²	60.8	21%	0.214	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-41.6	175.3	-172.9	76.3	0	0	0	112.1	S156 R157 T158 V162 Y163 Q164 H181	S156-D160 PolarHBondContact O-N 2.9Å; S156-D160 VanDerWaalsContact O-N 3.09Å; R157-D160 PolarHBondContact O-N 3.48Å; T158-D160 VanDerWaalsContact C-N 3.35Å; T158-D160 PolarHBondContact O-N 3.05Å; D160-V162 VanDerWaalsContact C-N 3.27Å; D160-V162 PolarHBondContact O-N 2.82Å; D160-Y163 WeakPolarHBondContact O-CB 3.34Å; D160-Y163 PolarHBondContact O-N 3Å; D160-Y163 VanDerWaalsContact O-N 3.14Å; D160-Q164 WeakPolarHBondContact O-CG 3.34Å; D160-Q164 PolarHBondContact O-N 3.37Å; D160-Q164 PolarHBondContact OD2-NE2 3.2Å; D160-H181 IonicContact OD1-CD2 2.72Å; D160-H181 IonicContact OD1-CE1 3.87Å; D160-H181 IonicContact OD1-NE2 3.38Å; D160-H181 PolarHBondContact OD1-NE2 3.17Å
161	S	95.6	Very high	93.8	Very high	62 Å²	62	59.5 Å²	59.5	43%	0.434	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-35.7	177.2	-56.4	0	0	0	0	112.3	R157 T158 A159 Q164 E165	R157-S161 PolarHBondContact O-N 2.93Å; R157-S161 VanDerWaalsContact O-N 3.16Å; R157-S161 PolarHBondContact O-OG 3.44Å; T158-S161 WeakPolarHBondContact O-CB 3.39Å; T158-S161 PolarHBondContact O-N 3.31Å; A159-S161 PolarHBondContact O-N 3.41Å; S161-Q164 PolarHBondContact O-N 3.47Å; S161-E165 PolarHBondContact O-N 3.35Å
162	V	96	Very high	93.8	Very high	7 Å²	7	64.5 Å²	64.5	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-66.7	-41.2	175.2	170.3	0	0	0	0	111.5	Y143 W146 Y150 T158 A159 D160 E165 G166	Y143-V162 HydrophobicContact CD1-CG1 4.09Å; Y143-V162 WeakPolarHBondContact CD1-O 3.42Å; W146-V162 HydrophobicContact CB-CG1 4.15Å; W146-V162 HydrophobicContact CD2-CG1 3.8Å; W146-V162 HydrophobicContact CD2-CG2 3.84Å; W146-V162 HydrophobicContact CE3-CB 4.27Å; W146-V162 HydrophobicContact CE3-CG1 3.41Å; W146-V162 VanDerWaalsContact CE3-CG1 3.41Å; W146-V162 HydrophobicContact CE3-CG2 3.83Å; W146-V162 HydrophobicContact CG-CG1 4.13Å; W146-V162 HydrophobicContact CG-CG2 4.46Å; W146-V162 HydrophobicContact CH2-CG2 3.91Å; W146-V162 HydrophobicContact CZ2-CG2 4Å; W146-V162 HydrophobicContact CZ3-CB 4.48Å; W146-V162 HydrophobicContact CZ3-CG1 3.98Å; W146-V162 HydrophobicContact CZ3-CG2 3.85Å; Y150-V162 HydrophobicContact CD2-CG2 3.97Å; Y150-V162 HydrophobicContact CE2-CG2 3.9Å; T158-V162 WeakPolarHBondContact O-CG2 3.37Å; T158-V162 PolarHBondContact O-N 3.02Å; A159-V162 PolarHBondContact O-N 2.87Å; D160-V162 VanDerWaalsContact C-N 3.27Å; D160-V162 PolarHBondContact O-N 2.82Å; V162-E165 WeakPolarHBondContact O-CB 3.47Å; V162-E165 PolarHBondContact O-N 3.26Å; V162-G166 PolarHBondContact O-N 3.09Å
163	Y	96	Very high	94	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-45.4	173.4	-81.6	-69.8	0	0	0	111.8	I144 S147 A159 D160 E165 G166 F167 L177 F180 H181 L184	I144-Y163 HydrophobicContact CG1-CE1 4.17Å; S147-Y163 WeakPolarHBondContact OG-CE2 3.43Å; S147-Y163 PolarHBondContact OG-OH 3.17Å; A159-Y163 WeakPolarHBondContact O-CD2 3.38Å; A159-Y163 PolarHBondContact O-N 3.12Å; D160-Y163 WeakPolarHBondContact O-CB 3.34Å; D160-Y163 PolarHBondContact O-N 3Å; D160-Y163 VanDerWaalsContact O-N 3.14Å; Y163-E165 VanDerWaalsContact C-N 3.28Å; Y163-E165 PolarHBondContact O-N 3.09Å; Y163-G166 PolarHBondContact O-N 3.44Å; Y163-G166 VanDerWaalsContact O-N 3.08Å; Y163-F167 WeakPolarHBondContact O-CD2 3.46Å; Y163-F167 PolarHBondContact O-N 3.34Å; Y163-L177 HydrophobicContact CD1-CD1 3.61Å; Y163-L177 HydrophobicContact CD1-CG 4.18Å; Y163-L177 HydrophobicContact CE1-CD1 3.81Å; Y163-F180 HydrophobicContact CE1-CB 4.05Å; Y163-H181 HydrophobicContact CD1-CB 3.78Å; Y163-H181 HydrophobicContact CD2-CB 4.44Å; Y163-H181 AromaticContact CD2-CD2 3.76Å; Y163-H181 HydrophobicContact CE1-CB 4.16Å; Y163-H181 HydrophobicContact CG-CB 3.94Å; Y163-H181 AromaticContact CG-CD2 3.68Å; Y163-L184 HydrophobicContact CD2-CD2 3.69Å; Y163-L184 HydrophobicContact CE2-CB 4.13Å; Y163-L184 HydrophobicContact CE2-CD2 3.58Å; Y163-L184 HydrophobicContact CE2-CG 4.43Å
164	Q	95.4	Very high	94.1	Very high	92 Å²	92	61.8 Å²	61.8	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-57.9	-41.9	176.3	-67.6	-177.3	14.4	0	0	111.8	D160 S161 F167 K168	D160-Q164 WeakPolarHBondContact O-CG 3.34Å; D160-Q164 PolarHBondContact O-N 3.37Å; D160-Q164 PolarHBondContact OD2-NE2 3.2Å; S161-Q164 PolarHBondContact O-N 3.47Å; Q164-F167 PolarHBondContact O-N 2.91Å; Q164-K168 WeakPolarHBondContact O-CG 3.49Å; Q164-K168 PolarHBondContact O-N 3.08Å
165	E	94.7	Very high	94.4	Very high	28 Å²	28	65.9 Å²	65.9	13%	0.131	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-44.5	173.7	-175.4	67.8	-178	0	0	111.9	R131 Y143 S161 V162 Y163 F167 K168 R169	R131-E165 IonicContact NH2-OE1 2.7Å; Y143-E165 HydrophobicContact CE1-CB 4.44Å; Y143-E165 HydrophobicContact CE1-CG 4.13Å; S161-E165 PolarHBondContact O-N 3.35Å; V162-E165 WeakPolarHBondContact O-CB 3.47Å; V162-E165 PolarHBondContact O-N 3.26Å; Y163-E165 VanDerWaalsContact C-N 3.28Å; Y163-E165 PolarHBondContact O-N 3.09Å; E165-F167 VanDerWaalsContact C-N 3.31Å; E165-F167 PolarHBondContact O-N 3.4Å; E165-K168 PolarHBondContact O-N 3.29Å; E165-R169 WeakPolarHBondContact O-CG 3.48Å; E165-R169 PolarHBondContact O-N 2.7Å; E165-R169 IonicContact OE1-CZ 3.81Å; E165-R169 IonicContact OE1-NE 3.31Å; E165-R169 PolarHBondContact OE1-NE 3.32Å; E165-R169 IonicContact OE1-NH2 3.55Å; E165-R169 PolarHBondContact OE1-NH2 3.49Å
166	G	94.4	Very high	94.5	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-38.4	176.2	0	0	0	0	0	113.3	V162 Y163 G170 A171	V162-G166 PolarHBondContact O-N 3.09Å; Y163-G166 PolarHBondContact O-N 3.44Å; Y163-G166 VanDerWaalsContact O-N 3.08Å; G166-G170 PolarHBondContact O-N 3.13Å; G166-G170 VanDerWaalsContact O-N 3.14Å; G166-A171 PolarHBondContact O-N 3.38Å; G166-A171 VanDerWaalsContact O-N 3.1Å
167	F	95.4	Very high	94.6	Very high	61 Å²	61	65.7 Å²	65.7	27%	0.268	32%	0.322	S	S	.	.	H	α-helix	trans	-68.1	-43.2	174	-66.1	-57.4	0	0	0	112.4	Y163 Q164 E165 R169 G170 L174 L177 L178 H181	Y163-F167 WeakPolarHBondContact O-CD2 3.46Å; Y163-F167 PolarHBondContact O-N 3.34Å; Q164-F167 PolarHBondContact O-N 2.91Å; E165-F167 VanDerWaalsContact C-N 3.31Å; E165-F167 PolarHBondContact O-N 3.4Å; F167-R169 PolarHBondContact O-N 3.21Å; F167-G170 PolarHBondContact O-N 2.96Å; F167-G170 VanDerWaalsContact O-N 3.12Å; F167-L174 HydrophobicContact CD1-CD1 3.74Å; F167-L174 HydrophobicContact CE1-CD1 4.18Å; F167-L177 HydrophobicContact CD1-CD2 3.7Å; F167-L177 HydrophobicContact CD1-CG 4.31Å; F167-L177 HydrophobicContact CE1-CB 4.12Å; F167-L177 HydrophobicContact CE1-CD2 3.67Å; F167-L177 HydrophobicContact CE1-CG 3.76Å; F167-L177 HydrophobicContact CG-CD2 4.23Å; F167-L177 HydrophobicContact CZ-CD2 4.18Å; F167-L177 HydrophobicContact CZ-CG 3.93Å; F167-L178 HydrophobicContact CE1-CB 4.26Å; F167-L178 HydrophobicContact CE1-CD1 4.45Å; F167-L178 HydrophobicContact CZ-CB 4.39Å; F167-L178 HydrophobicContact CZ-CD1 4.17Å; F167-H181 HydrophobicContact CE2-CB 4.09Å; F167-H181 AromaticContact CE2-CG 3.88Å; F167-H181 AromaticContact CE2-ND1 3.48Å; F167-H181 WeakPolarHBondContact CE2-ND1 3.14Å; F167-H181 HydrophobicContact CZ-CB 3.97Å; F167-H181 AromaticContact CZ-ND1 3.96Å
168	K	94.7	Very high	94.8	Very high	152 Å²	152	59.1 Å²	59.1	66%	0.661	30%	0.302	S	S	*	.	H	α-helix	trans	-59.1	-36.2	177.1	-72.4	175.9	-174.3	179.4	0	112	Q164 E165	Q164-K168 WeakPolarHBondContact O-CG 3.49Å; Q164-K168 PolarHBondContact O-N 3.08Å; E165-K168 PolarHBondContact O-N 3.29Å
169	R	92	Very high	94.9	Very high	92 Å²	92	62.4 Å²	62.4	35%	0.347	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-3.3	179.5	-61.8	-163.2	-169.6	-171.1	-2.1	114.4	V137 Y143 E165 F167	V137-R169 HydrophobicContact CG1-CB 4.39Å; V137-R169 HydrophobicContact CG1-CG 4.44Å; Y143-R169 WeakPolarHBondContact OH-CD 3.05Å; E165-R169 WeakPolarHBondContact O-CG 3.48Å; E165-R169 PolarHBondContact O-N 2.7Å; E165-R169 IonicContact OE1-CZ 3.81Å; E165-R169 IonicContact OE1-NE 3.31Å; E165-R169 PolarHBondContact OE1-NE 3.32Å; E165-R169 IonicContact OE1-NH2 3.55Å; E165-R169 PolarHBondContact OE1-NH2 3.49Å; F167-R169 PolarHBondContact O-N 3.21Å
170	G	91.1	Very high	95	Very high	43 Å²	43	65.5 Å²	65.5	44%	0.443	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	43.5	176.1	0	0	0	0	0	113.7	G166 F167	G166-G170 PolarHBondContact O-N 3.13Å; G166-G170 VanDerWaalsContact O-N 3.14Å; F167-G170 PolarHBondContact O-N 2.96Å; F167-G170 VanDerWaalsContact O-N 3.12Å
171	A	93.8	Very high	95.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-67.5	133.4	-176.6	0	0	0	0	0	113	Q138 A140 Y143 G166 L174 L177	Q138-A171 CarbonylContact O-C 3.51Å; Q138-A171 VanDerWaalsContact O-CA 3.29Å; Q138-A171 WeakPolarHBondContact O-CA 3.49Å; A140-A171 HydrophobicContact CB-CB 4.47Å; Y143-A171 HydrophobicContact CD2-CB 3.67Å; Y143-A171 HydrophobicContact CE2-CB 3.52Å; G166-A171 PolarHBondContact O-N 3.38Å; G166-A171 VanDerWaalsContact O-N 3.1Å; A171-L174 WeakPolarHBondContact O-CA 3.28Å; A171-L174 PolarHBondContact O-N 3.33Å; A171-L177 HydrophobicContact CB-CD2 4.33Å
172	E	93.3	Very high	95.2	Very high	142 Å²	142	67.5 Å²	67.5	66%	0.664	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-100.3	143.6	-178.7	-63.8	-166.4	162.2	0	0	111.9	Q138 Q139 A140	Q138-E172 PolarHBondContact O-N 3.32Å; Q139-E172 PolarHBondContact OE1-O 3.34Å; A140-E172 WeakPolarHBondContact CB-O 2.97Å; A140-E172 PolarHBondContact N-O 3.18Å
173	P	95.8	Very high	95.2	Very high	80 Å²	80	68.9 Å²	68.9	52%	0.519	34%	0.34	S	S	.	.	S	Bend	cis	-74.5	124	-8.4	-16.6	32	0	0	0	112.9	E175 K176 L177	P173-E175 VanDerWaalsContact C-N 3.29Å; P173-E175 PolarHBondContact O-N 3.04Å; P173-K176 HydrophobicContact CB-CB 4.26Å; P173-K176 WeakPolarHBondContact O-CB 3.23Å; P173-K176 PolarHBondContact O-N 3.38Å; P173-K176 VanDerWaalsContact O-N 3.16Å; P173-L177 PolarHBondContact O-N 3.45Å
174	L	94	Very high	95.2	Very high	91 Å²	91	69 Å²	69	48%	0.476	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-36.6	-177.1	-168.4	72.9	0	0	0	112.7	F167 A171 K176 L177 L178	F167-L174 HydrophobicContact CD1-CD1 3.74Å; F167-L174 HydrophobicContact CE1-CD1 4.18Å; A171-L174 WeakPolarHBondContact O-CA 3.28Å; A171-L174 PolarHBondContact O-N 3.33Å; L174-K176 VanDerWaalsContact C-N 3.31Å; L174-K176 PolarHBondContact O-N 3.38Å; L174-L177 WeakPolarHBondContact O-CB 3.41Å; L174-L177 PolarHBondContact O-N 3.09Å; L174-L178 PolarHBondContact O-N 2.79Å
175	E	95.6	Very high	95.2	Very high	141 Å²	141	69.1 Å²	69.1	66%	0.659	34%	0.341	S	S	*	.	H	α-helix	trans	-61.6	-41.8	178.4	-177.5	167.6	-171.1	0	0	111.5	P173 L178 Q179	P173-E175 VanDerWaalsContact C-N 3.29Å; P173-E175 PolarHBondContact O-N 3.04Å; E175-L178 PolarHBondContact O-N 3.14Å; E175-Q179 VanDerWaalsContact O-CG 3.31Å; E175-Q179 WeakPolarHBondContact O-CG 3.39Å; E175-Q179 PolarHBondContact O-N 3.39Å
176	K	95.5	Very high	95.2	Very high	97 Å²	97	69.3 Å²	69.3	42%	0.422	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-44.6	175.3	-170.9	179.6	178.8	-179.3	0	110.5	I144 P173 L174 L178 Q179 F180	I144-K176 HydrophobicContact CD1-CD 4.24Å; I144-K176 HydrophobicContact CD1-CG 3.96Å; P173-K176 HydrophobicContact CB-CB 4.26Å; P173-K176 WeakPolarHBondContact O-CB 3.23Å; P173-K176 PolarHBondContact O-N 3.38Å; P173-K176 VanDerWaalsContact O-N 3.16Å; L174-K176 VanDerWaalsContact C-N 3.31Å; L174-K176 PolarHBondContact O-N 3.38Å; K176-L178 VanDerWaalsContact C-N 3.31Å; K176-L178 PolarHBondContact O-N 3.48Å; K176-Q179 PolarHBondContact O-N 3.44Å; K176-F180 HydrophobicContact CG-CD2 3.96Å; K176-F180 HydrophobicContact CG-CE2 3.94Å; K176-F180 VanDerWaalsContact O-CD2 3.3Å; K176-F180 WeakPolarHBondContact O-CD2 3.4Å; K176-F180 PolarHBondContact O-N 2.95Å; K176-F180 VanDerWaalsContact O-N 3.08Å
177	L	96.1	Very high	95.2	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-58.5	-43.9	177	-170.5	66.6	0	0	0	111.7	A140 I144 Y163 F167 A171 P173 L174 F180 H181	A140-L177 HydrophobicContact CB-CB 4.07Å; A140-L177 HydrophobicContact CB-CD1 4.46Å; I144-L177 HydrophobicContact CG1-CD1 3.98Å; Y163-L177 HydrophobicContact CD1-CD1 3.61Å; Y163-L177 HydrophobicContact CD1-CG 4.18Å; Y163-L177 HydrophobicContact CE1-CD1 3.81Å; F167-L177 HydrophobicContact CD1-CD2 3.7Å; F167-L177 HydrophobicContact CD1-CG 4.31Å; F167-L177 HydrophobicContact CE1-CB 4.12Å; F167-L177 HydrophobicContact CE1-CD2 3.67Å; F167-L177 HydrophobicContact CE1-CG 3.76Å; F167-L177 HydrophobicContact CG-CD2 4.23Å; F167-L177 HydrophobicContact CZ-CD2 4.18Å; F167-L177 HydrophobicContact CZ-CG 3.93Å; A171-L177 HydrophobicContact CB-CD2 4.33Å; P173-L177 PolarHBondContact O-N 3.45Å; L174-L177 WeakPolarHBondContact O-CB 3.41Å; L174-L177 PolarHBondContact O-N 3.09Å; L177-F180 PolarHBondContact O-N 3.23Å; L177-H181 WeakPolarHBondContact O-CB 3.39Å; L177-H181 PolarHBondContact O-N 3.44Å
178	L	96.8	Very high	95.1	Very high	72 Å²	72	72.2 Å²	72.2	38%	0.377	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-42	177.8	-175.8	65	0	0	0	112.9	F167 L174 E175 K176 H181 K182	F167-L178 HydrophobicContact CE1-CB 4.26Å; F167-L178 HydrophobicContact CE1-CD1 4.45Å; F167-L178 HydrophobicContact CZ-CB 4.39Å; F167-L178 HydrophobicContact CZ-CD1 4.17Å; L174-L178 PolarHBondContact O-N 2.79Å; E175-L178 PolarHBondContact O-N 3.14Å; K176-L178 VanDerWaalsContact C-N 3.31Å; K176-L178 PolarHBondContact O-N 3.48Å; L178-H181 PolarHBondContact O-N 2.95Å; L178-K182 HydrophobicContact CG-CD 4.45Å; L178-K182 WeakPolarHBondContact O-CG 3.44Å; L178-K182 PolarHBondContact O-N 2.72Å
179	Q	97.2	Very high	95.1	Very high	111 Å²	111	67.7 Å²	67.7	52%	0.519	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-45.8	177.2	-74.2	176.2	7.2	0	0	111.3	E175 K176 K182 A183	E175-Q179 VanDerWaalsContact O-CG 3.31Å; E175-Q179 WeakPolarHBondContact O-CG 3.39Å; E175-Q179 PolarHBondContact O-N 3.39Å; K176-Q179 PolarHBondContact O-N 3.44Å; Q179-K182 PolarHBondContact O-N 3.39Å; Q179-A183 WeakPolarHBondContact O-CB 3.31Å; Q179-A183 PolarHBondContact O-N 3.35Å
180	F	96.3	Very high	95.1	Very high	65 Å²	65	70.2 Å²	70.2	29%	0.285	36%	0.357	S	S	.	.	H	α-helix	trans	-68	-37.7	178.6	-86.6	-99.8	0	0	0	112.5	I144 Y163 K176 L177 A183 L184	I144-F180 HydrophobicContact CD1-CB 4.22Å; I144-F180 HydrophobicContact CD1-CD2 3.9Å; I144-F180 HydrophobicContact CD1-CE2 4.4Å; I144-F180 HydrophobicContact CD1-CG 3.96Å; I144-F180 HydrophobicContact CG1-CB 4.01Å; I144-F180 HydrophobicContact CG1-CD1 4.46Å; I144-F180 HydrophobicContact CG1-CG 4.1Å; I144-F180 HydrophobicContact CG2-CB 4.42Å; I144-F180 HydrophobicContact CG2-CD1 3.44Å; I144-F180 VanDerWaalsContact CG2-CD1 3.44Å; I144-F180 HydrophobicContact CG2-CE1 3.75Å; I144-F180 HydrophobicContact CG2-CG 3.93Å; I144-F180 HydrophobicContact CG2-CZ 4.47Å; Y163-F180 HydrophobicContact CE1-CB 4.05Å; K176-F180 HydrophobicContact CG-CD2 3.96Å; K176-F180 HydrophobicContact CG-CE2 3.94Å; K176-F180 VanDerWaalsContact O-CD2 3.3Å; K176-F180 WeakPolarHBondContact O-CD2 3.4Å; K176-F180 PolarHBondContact O-N 2.95Å; K176-F180 VanDerWaalsContact O-N 3.08Å; L177-F180 PolarHBondContact O-N 3.23Å; F180-A183 WeakPolarHBondContact O-CB 3.41Å; F180-A183 PolarHBondContact O-N 3.32Å; F180-L184 PolarHBondContact O-N 2.88Å
181	H	97.3	Very high	95.1	Very high	20 Å²	20	74.2 Å²	74.2	9%	0.093	36%	0.364	C	S	.	.	H	α-helix	trans	-61.7	-46.3	174.2	-177.2	-141.1	0	0	0	112.2	D160 Y163 F167 L177 L178 A183 L184 Q185	D160-H181 IonicContact OD1-CD2 2.72Å; D160-H181 IonicContact OD1-CE1 3.87Å; D160-H181 IonicContact OD1-NE2 3.38Å; D160-H181 PolarHBondContact OD1-NE2 3.17Å; Y163-H181 HydrophobicContact CD1-CB 3.78Å; Y163-H181 HydrophobicContact CD2-CB 4.44Å; Y163-H181 AromaticContact CD2-CD2 3.76Å; Y163-H181 HydrophobicContact CE1-CB 4.16Å; Y163-H181 HydrophobicContact CG-CB 3.94Å; Y163-H181 AromaticContact CG-CD2 3.68Å; F167-H181 HydrophobicContact CE2-CB 4.09Å; F167-H181 AromaticContact CE2-CG 3.88Å; F167-H181 AromaticContact CE2-ND1 3.48Å; F167-H181 WeakPolarHBondContact CE2-ND1 3.14Å; F167-H181 HydrophobicContact CZ-CB 3.97Å; F167-H181 AromaticContact CZ-ND1 3.96Å; L177-H181 WeakPolarHBondContact O-CB 3.39Å; L177-H181 PolarHBondContact O-N 3.44Å; L178-H181 PolarHBondContact O-N 2.95Å; H181-A183 VanDerWaalsContact C-N 3.28Å; H181-A183 PolarHBondContact O-N 3.27Å; H181-L184 WeakPolarHBondContact O-CB 3.44Å; H181-L184 PolarHBondContact O-N 3.05Å; H181-Q185 PolarHBondContact CE1-NE2 2.81Å; H181-Q185 PolarHBondContact NE2-NE2 2.91Å; H181-Q185 WeakPolarHBondContact O-CG 3.17Å; H181-Q185 PolarHBondContact O-N 3.25Å
182	K	97	Very high	94.9	Very high	124 Å²	124	78.3 Å²	78.3	54%	0.539	39%	0.389	S	S	.	.	H	α-helix	trans	-61.1	-37.9	173.6	-72.5	177.1	-179.5	177.7	0	112.1	L178 Q179 Q185 A186	L178-K182 HydrophobicContact CG-CD 4.45Å; L178-K182 WeakPolarHBondContact O-CG 3.44Å; L178-K182 PolarHBondContact O-N 2.72Å; Q179-K182 PolarHBondContact O-N 3.39Å; K182-Q185 PolarHBondContact O-N 2.88Å; K182-A186 WeakPolarHBondContact O-CB 3.4Å; K182-A186 PolarHBondContact O-N 3.11Å
183	A	96.6	Very high	94.8	Very high	36 Å²	36	77.3 Å²	77.3	30%	0.298	39%	0.386	S	S	.	.	H	α-helix	trans	-65.2	-42.3	177.1	0	0	0	0	0	111.9	Q179 F180 H181 A186 R187	Q179-A183 WeakPolarHBondContact O-CB 3.31Å; Q179-A183 PolarHBondContact O-N 3.35Å; F180-A183 WeakPolarHBondContact O-CB 3.41Å; F180-A183 PolarHBondContact O-N 3.32Å; H181-A183 VanDerWaalsContact C-N 3.28Å; H181-A183 PolarHBondContact O-N 3.27Å; A183-A186 PolarHBondContact O-N 3.37Å; A183-R187 WeakPolarHBondContact O-CG 3.35Å; A183-R187 PolarHBondContact O-N 2.78Å
184	L	95.4	Very high	94.4	Very high	2 Å²	2	76.4 Å²	76.4	1%	0.01	38%	0.381	C	S	.	.	H	α-helix	trans	-57.7	-53.7	172.2	173.3	70.4	0	0	0	110.3	E151 A159 Y163 F180 H181 A186 R187 V188	E151-L184 HydrophobicContact CB-CD1 4.2Å; E151-L184 HydrophobicContact CG-CD1 3.85Å; E151-L184 WeakPolarHBondContact OE2-CD1 3.44Å; A159-L184 HydrophobicContact CB-CD2 3.93Å; Y163-L184 HydrophobicContact CD2-CD2 3.69Å; Y163-L184 HydrophobicContact CE2-CB 4.13Å; Y163-L184 HydrophobicContact CE2-CD2 3.58Å; Y163-L184 HydrophobicContact CE2-CG 4.43Å; F180-L184 PolarHBondContact O-N 2.88Å; H181-L184 WeakPolarHBondContact O-CB 3.44Å; H181-L184 PolarHBondContact O-N 3.05Å; L184-A186 VanDerWaalsContact C-N 3.25Å; L184-A186 PolarHBondContact O-N 2.95Å; L184-R187 PolarHBondContact O-N 3.37Å; L184-V188 HydrophobicContact CD1-CG2 3.93Å; L184-V188 HydrophobicContact CG-CG2 4.24Å; L184-V188 WeakPolarHBondContact O-CG2 3.47Å; L184-V188 PolarHBondContact O-N 3.48Å
185	Q	95.5	Very high	93.9	Very high	95 Å²	95	73.5 Å²	73.5	44%	0.444	37%	0.373	S	S	.	.	H	α-helix	trans	-55.4	-42.2	-179.4	-71.5	179.4	-25.3	0	0	112	H181 K182 S189	H181-Q185 PolarHBondContact CE1-NE2 2.81Å; H181-Q185 PolarHBondContact NE2-NE2 2.91Å; H181-Q185 WeakPolarHBondContact O-CG 3.17Å; H181-Q185 PolarHBondContact O-N 3.25Å; K182-Q185 PolarHBondContact O-N 2.88Å; Q185-S189 WeakPolarHBondContact O-CB 3.01Å; Q185-S189 PolarHBondContact O-N 3.02Å; Q185-S189 PolarHBondContact O-OG 3.34Å
186	A	95.8	Very high	92.9	Very high	31 Å²	31	73 Å²	73	26%	0.256	37%	0.373	S	S	.	.	H	α-helix	trans	-68.6	-33.6	177.1	0	0	0	0	0	113.5	K182 A183 L184 S189 R190	K182-A186 WeakPolarHBondContact O-CB 3.4Å; K182-A186 PolarHBondContact O-N 3.11Å; A183-A186 PolarHBondContact O-N 3.37Å; L184-A186 VanDerWaalsContact C-N 3.25Å; L184-A186 PolarHBondContact O-N 2.95Å; A186-S189 PolarHBondContact O-OG 3.31Å; A186-S189 VanDerWaalsContact O-OG 3.04Å; A186-R190 WeakPolarHBondContact O-CB 3.33Å; A186-R190 WeakPolarHBondContact O-CG 3.34Å; A186-R190 PolarHBondContact O-N 3.16Å; A186-R190 PolarHBondContact O-NE 3.14Å; A186-R190 PolarHBondContact O-NH2 3.23Å
187	R	94.8	Very high	91.7	Very high	85 Å²	85	72.3 Å²	72.3	32%	0.321	38%	0.376	S	S	.	.	H	α-helix	trans	-69.9	-46.8	174.4	-74	-171.3	-59.3	-94	4.8	111.1	E151 A183 L184 S189 R190 Q191	E151-R187 IonicContact OE1-CZ 3.84Å; E151-R187 IonicContact OE1-NE 3.17Å; E151-R187 PolarHBondContact OE1-NE 3.23Å; E151-R187 IonicContact OE1-NH2 3.43Å; E151-R187 PolarHBondContact OE1-NH2 2.88Å; E151-R187 IonicContact OE2-CZ 2.81Å; E151-R187 IonicContact OE2-NE 3.92Å; E151-R187 IonicContact OE2-NH2 3.22Å; E151-R187 PolarHBondContact OE2-NH2 2.99Å; A183-R187 WeakPolarHBondContact O-CG 3.35Å; A183-R187 PolarHBondContact O-N 2.78Å; L184-R187 PolarHBondContact O-N 3.37Å; R187-S189 PolarHBondContact O-N 2.99Å; R187-R190 PolarHBondContact O-N 3.39Å; R187-Q191 PolarHBondContact O-N 2.87Å
188	V	93.6	Very high	90.1	Very high	37 Å²	37	76.1 Å²	76.1	22%	0.224	40%	0.397	C	S	.	.	H	α-helix	trans	-61.2	-44.8	177.5	176	0	0	0	0	110.9	L184 R190 Q191 V192	L184-V188 HydrophobicContact CD1-CG2 3.93Å; L184-V188 HydrophobicContact CG-CG2 4.24Å; L184-V188 WeakPolarHBondContact O-CG2 3.47Å; L184-V188 PolarHBondContact O-N 3.48Å; V188-R190 VanDerWaalsContact C-N 3.33Å; V188-R190 PolarHBondContact O-N 3.01Å; V188-Q191 PolarHBondContact O-N 3.08Å; V188-V192 HydrophobicContact CG1-CG2 4.44Å; V188-V192 WeakPolarHBondContact O-CG2 3.4Å; V188-V192 PolarHBondContact O-N 2.72Å
189	S	93	Very high	88.3	Confident	58 Å²	58	78.4 Å²	78.4	41%	0.406	41%	0.41	S	S	.	.	H	α-helix	trans	-61.9	-40.8	177.8	71	0	0	0	0	112.1	Q185 A186 R187 M193	Q185-S189 WeakPolarHBondContact O-CB 3.01Å; Q185-S189 PolarHBondContact O-N 3.02Å; Q185-S189 PolarHBondContact O-OG 3.34Å; A186-S189 PolarHBondContact O-OG 3.31Å; A186-S189 VanDerWaalsContact O-OG 3.04Å; R187-S189 PolarHBondContact O-N 2.99Å; S189-M193 WeakPolarHBondContact O-CG 3.39Å; S189-M193 PolarHBondContact O-N 3.37Å
190	R	93.2	Very high	86.5	Confident	144 Å²	144	81 Å²	81	54%	0.543	42%	0.422	S	S	.	.	H	α-helix	trans	-63.6	-42.4	174	-79.4	-174.9	-73	-94.7	-0.9	112.2	A186 R187 V188 M193 S194	A186-R190 WeakPolarHBondContact O-CB 3.33Å; A186-R190 WeakPolarHBondContact O-CG 3.34Å; A186-R190 PolarHBondContact O-N 3.16Å; A186-R190 PolarHBondContact O-NE 3.14Å; A186-R190 PolarHBondContact O-NH2 3.23Å; R187-R190 PolarHBondContact O-N 3.39Å; V188-R190 VanDerWaalsContact C-N 3.33Å; V188-R190 PolarHBondContact O-N 3.01Å; R190-M193 HydrophobicContact CG-CE 4.48Å; R190-M193 PolarHBondContact O-N 3.34Å; R190-S194 WeakPolarHBondContact O-CB 3.43Å; R190-S194 PolarHBondContact O-N 2.98Å
191	Q	90.5	Very high	84.6	Confident	127 Å²	127	84.9 Å²	84.9	59%	0.593	44%	0.441	S	S	*	.	H	α-helix	trans	-63.3	-43.7	178.4	-173.6	176.5	4.2	0	0	111.6	R187 V188 S194 G195	R187-Q191 PolarHBondContact O-N 2.87Å; V188-Q191 PolarHBondContact O-N 3.08Å; Q191-S194 PolarHBondContact O-N 3.11Å; Q191-G195 PolarHBondContact O-N 2.84Å
192	V	90.6	Very high	82.6	Confident	87 Å²	87	91 Å²	91	53%	0.527	47%	0.47	S	S	.	.	H	α-helix	trans	-62.6	-46.5	176.4	173.2	0	0	0	0	111	V188 S194 G195 M196	V188-V192 HydrophobicContact CG1-CG2 4.44Å; V188-V192 WeakPolarHBondContact O-CG2 3.4Å; V188-V192 PolarHBondContact O-N 2.72Å; V192-S194 VanDerWaalsContact C-N 3.35Å; V192-S194 PolarHBondContact O-N 3.44Å; V192-G195 PolarHBondContact O-N 2.9Å; V192-M196 HydrophobicContact CG1-SD 4.44Å; V192-M196 WeakPolarHBondContact O-CG 3.26Å; V192-M196 PolarHBondContact O-N 2.94Å
193	M	90.1	Very high	80.6	Confident	120 Å²	120	94 Å²	94	59%	0.591	49%	0.485	S	S	*	.	H	α-helix	trans	-63.4	-39.4	177.5	-70.1	-170.6	-55.4	0	0	112.6	S189 R190 V197	S189-M193 WeakPolarHBondContact O-CG 3.39Å; S189-M193 PolarHBondContact O-N 3.37Å; R190-M193 HydrophobicContact CG-CE 4.48Å; R190-M193 PolarHBondContact O-N 3.34Å; M193-V197 WeakPolarHBondContact O-CG2 3.44Å
194	S	87.6	Confident	78.7	Confident	61 Å²	61	96.8 Å²	96.8	43%	0.427	51%	0.509	S	S	.	.	H	α-helix	trans	-69.3	-36.1	177.8	-170.6	0	0	0	0	112.6	R190 Q191 V192 M196 V197 N198	R190-S194 WeakPolarHBondContact O-CB 3.43Å; R190-S194 PolarHBondContact O-N 2.98Å; Q191-S194 PolarHBondContact O-N 3.11Å; V192-S194 VanDerWaalsContact C-N 3.35Å; V192-S194 PolarHBondContact O-N 3.44Å; S194-M196 VanDerWaalsContact C-N 3.32Å; S194-M196 PolarHBondContact O-N 3.09Å; S194-V197 PolarHBondContact O-N 3.18Å; S194-N198 PolarHBondContact O-N 3.41Å; S194-N198 PolarHBondContact O-ND2 3.23Å
195	G	83.1	Confident	76.7	Confident	30 Å²	30	103.1 Å²	103.1	31%	0.309	54%	0.538	S	S	.	.	H	α-helix	trans	-60.7	-42.4	176.3	0	0	0	0	0	112.1	Q191 V192 V197 N198 D199	Q191-G195 PolarHBondContact O-N 2.84Å; V192-G195 PolarHBondContact O-N 2.9Å; G195-V197 VanDerWaalsContact C-N 3.26Å; G195-V197 PolarHBondContact O-N 3.19Å; G195-N198 PolarHBondContact O-N 3.42Å; G195-D199 PolarHBondContact O-N 2.93Å
196	M	76	Confident	75.2	Confident	130 Å²	130	102.9 Å²	102.9	64%	0.64	55%	0.552	S	S	*	*	H	α-helix	trans	-64.6	-27	178.8	-63.2	174.9	86.3	0	0	113.7	V192 S194	V192-M196 HydrophobicContact CG1-SD 4.44Å; V192-M196 WeakPolarHBondContact O-CG 3.26Å; V192-M196 PolarHBondContact O-N 2.94Å; S194-M196 VanDerWaalsContact C-N 3.32Å; S194-M196 PolarHBondContact O-N 3.09Å
197	V	70.2	Confident	73.7	Confident	83 Å²	83	106.3 Å²	106.3	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-82.2	-36.6	178.9	177.6	0	0	0	0	111.4	M193 S194 G195 E200	M193-V197 WeakPolarHBondContact O-CG2 3.44Å; S194-V197 PolarHBondContact O-N 3.18Å; G195-V197 VanDerWaalsContact C-N 3.26Å; G195-V197 PolarHBondContact O-N 3.19Å; V197-E200 PolarHBondContact O-N 3.12Å
198	N	61.7	Low	72.5	Confident	80 Å²	80	109.5 Å²	109.5	43%	0.428	60%	0.597	S	S	.	*	H	α-helix	trans	-74.2	-30.2	-177.8	-66.5	-17	0	0	0	112.9	S194 G195 E200 E201 E202	S194-N198 PolarHBondContact O-N 3.41Å; S194-N198 PolarHBondContact O-ND2 3.23Å; G195-N198 PolarHBondContact O-N 3.42Å; N198-E200 PolarHBondContact O-N 3.16Å; N198-E201 PolarHBondContact O-N 3.24Å; N198-E201 VanDerWaalsContact O-N 3.08Å; N198-E202 PolarHBondContact O-N 2.77Å
199	D	59.3	Low	71.4	Confident	121 Å²	121	114 Å²	114	65%	0.647	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-24.5	175.9	-74.4	-26.6	0	0	0	112.4	G195	G195-D199 PolarHBondContact O-N 2.93Å
200	E	58	Low	70.7	Confident	166 Å²	166	119.7 Å²	119.7	78%	0.776	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-19.8	176.7	-59.7	-170.8	164.9	0	0	113.2	V197 N198	V197-E200 PolarHBondContact O-N 3.12Å; N198-E200 PolarHBondContact O-N 3.16Å
201	E	56.9	Low	69.8	Low	146 Å²	146	123 Å²	123	68%	0.682	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-27.6	-177.9	-69.3	-174.2	171.1	0	0	113.5	N198 E203	N198-E201 PolarHBondContact O-N 3.24Å; N198-E201 VanDerWaalsContact O-N 3.08Å; E201-E203 VanDerWaalsContact C-N 3.32Å; E201-E203 PolarHBondContact O-N 3.42Å
202	E	55.5	Low	69.1	Low	149 Å²	149	122.2 Å²	122.2	70%	0.696	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-73.2	-16.2	-179.5	-83.4	-158.6	168.3	0	0	114.6	N198 A204 E205	N198-E202 PolarHBondContact O-N 2.77Å; E202-A204 PolarHBondContact O-N 3.03Å; E202-E205 PolarHBondContact O-N 2.7Å
203	E	54.2	Low	68.5	Low	186 Å²	186	122.9 Å²	122.9	87%	0.869	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-66.8	-6.7	178.3	-146.2	-177.8	-173.2	0	0	113.1	E201	E201-E203 VanDerWaalsContact C-N 3.32Å; E201-E203 PolarHBondContact O-N 3.42Å
204	A	57	Low	67.9	Low	95 Å²	95	125.6 Å²	125.6	79%	0.785	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-99.6	-7.8	-177.9	0	0	0	0	0	115.8	E202	E202-A204 PolarHBondContact O-N 3.03Å
205	E	55.1	Low	67.3	Low	134 Å²	134	126.1 Å²	126.1	63%	0.626	69%	0.688	S	S	*	*	S	Bend	trans	-94.1	125.2	-179.5	-145.5	-167.1	154.3	0	0	111.9	E202 A207 K208	E202-E205 PolarHBondContact O-N 2.7Å; E205-A207 PolarHBondContact O-N 2.95Å; E205-K208 IonicContact OE1-NZ 2.78Å; E205-K208 PolarHBondContact OE1-NZ 3.44Å; E205-K208 IonicContact OE2-NZ 3.48Å
206	A	62.3	Low	66.5	Low	90 Å²	90	129.1 Å²	129.1	74%	0.744	70%	0.697	S	S	*	*			trans	-56.7	121.5	-177.5	0	0	0	0	0	112.5	K208	A206-K208 PolarHBondContact O-N 3Å; A206-K208 VanDerWaalsContact O-N 3.17Å
207	A	64.9	Low	66	Low	104 Å²	104	127.3 Å²	127.3	86%	0.86	69%	0.689	S	S	*	*			trans	-52.8	113.7	-173.6	0	0	0	0	0	113.8	E205	E205-A207 PolarHBondContact O-N 2.95Å
208	K	70.1	Confident	65.7	Low	151 Å²	151	129.9 Å²	129.9	66%	0.657	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-72	150.9	168.5	-67.2	164.5	-170.3	142	0	109.2	E205 A206 E210	E205-K208 IonicContact OE1-NZ 2.78Å; E205-K208 PolarHBondContact OE1-NZ 3.44Å; E205-K208 IonicContact OE2-NZ 3.48Å; A206-K208 PolarHBondContact O-N 3Å; A206-K208 VanDerWaalsContact O-N 3.17Å; K208-E210 PolarHBondContact O-N 2.9Å
209	P	70.6	Confident	65.6	Low	132 Å²	132	132.4 Å²	132.4	86%	0.857	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-65.2	117.7	-178.1	25.6	-33.6	0	0	0	111.7
210	E	76.9	Confident	65.4	Low	178 Å²	178	137.8 Å²	137.8	83%	0.832	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-80.1	149.3	179.3	-164.1	-179.1	172.6	0	0	112.1	K208 V212	K208-E210 PolarHBondContact O-N 2.9Å; E210-V212 PolarHBondContact O-N 3.19Å
211	R	74.4	Confident	65.3	Low	214 Å²	214	132.4 Å²	132.4	81%	0.808	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-72.9	122.8	174	-72.7	-173	175.9	172.1	1.3	109.7	L236	R211-L236 HydrophobicContact CG-CD1 4.28Å
212	V	75.9	Confident	65.4	Low	109 Å²	109	135.7 Å²	135.7	66%	0.661	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-96.2	124.7	174.6	-172.9	0	0	0	0	109.2	E210 V215	E210-V212 PolarHBondContact O-N 3.19Å; V212-V215 HydrophobicContact CB-CG2 3.47Å; V212-V215 VanDerWaalsContact CB-CG2 3.47Å; V212-V215 HydrophobicContact CG1-CG2 3.38Å
213	S	77.8	Confident	65.3	Low	102 Å²	102	138 Å²	138	71%	0.713	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	144.1	178	59	0	0	0	0	111.7	V215	S213-V215 PolarHBondContact O-N 2.94Å
214	L	79.1	Confident	65.2	Low	177 Å²	177	139.5 Å²	139.5	93%	0.927	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.6	25.8	173.4	-52.3	175.4	0	0	0	115
215	V	73.6	Confident	64.4	Low	71 Å²	71	139 Å²	139	43%	0.43	72%	0.723	S	S	.	*	P	Polyproline II helix	trans	-77.4	135.5	174	172.2	0	0	0	0	111.3	V212 S213 L217	V212-V215 HydrophobicContact CB-CG2 3.47Å; V212-V215 VanDerWaalsContact CB-CG2 3.47Å; V212-V215 HydrophobicContact CG1-CG2 3.38Å; S213-V215 PolarHBondContact O-N 2.94Å; V215-L217 PolarHBondContact O-N 2.71Å
216	D	67.6	Low	64.2	Low	94 Å²	94	140.2 Å²	140.2	50%	0.503	74%	0.739	S	S	.	*	P	Polyproline II helix	trans	-59.8	121	171.6	-74.9	-27	0	0	0	111	S242	D216-S242 PolarHBondContact OD2-OG 3.18Å; D216-S242 VanDerWaalsContact OD2-OG 3.05Å
217	L	65.2	Low	63.1	Low	91 Å²	91	138.9 Å²	138.9	48%	0.476	73%	0.727	S	S	.	*	P	Polyproline II helix	trans	-88.6	126.3	173.3	-61.3	170	0	0	0	110.2	V215 V232 L236	V215-L217 PolarHBondContact O-N 2.71Å; L217-V232 HydrophobicContact CB-CG1 3.52Å; L217-V232 HydrophobicContact CB-CG2 4.39Å; L217-V232 HydrophobicContact CD1-CG1 3.68Å; L217-V232 HydrophobicContact CG-CG1 4.13Å; L217-L236 HydrophobicContact CD2-CD2 4.13Å
218	K	62.8	Low	62.2	Low	137 Å²	137	140.7 Å²	140.7	60%	0.596	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-74.7	133	174	-69.9	-175.1	179.2	167.3	0	110.7	R220 S240	K218-R220 PolarHBondContact O-N 2.79Å; K218-S240 WeakPolarHBondContact CE-OG 3.48Å; K218-S240 PolarHBondContact NZ-OG 3.29Å
219	H	60.3	Low	61.5	Low	133 Å²	133	138.7 Å²	138.7	62%	0.616	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-65.2	132.6	172.5	68.3	88.9	0	0	0	110.5
220	R	54.5	Low	60.8	Low	235 Å²	235	136.6 Å²	136.6	89%	0.887	72%	0.715	S	S	*	*			trans	-90.9	110.4	177.1	-160.1	-174.9	-168.8	-100.9	3.9	109.5	K218	K218-R220 PolarHBondContact O-N 2.79Å
221	G	56.3	Low	59.9	Low	53 Å²	53	137.7 Å²	137.7	55%	0.546	71%	0.711	S	S	.	*			trans	152.1	121.1	165.5	0	0	0	0	0	115.3	K223	G221-K223 PolarHBondContact O-N 2.98Å
222	K	58.6	Low	59.1	Low	214 Å²	214	130.3 Å²	130.3	93%	0.93	69%	0.689	S	S	*	*			trans	-91.4	57.6	168.2	-66.1	-173.9	-179.6	-178.3	0	111.1
223	K	54.4	Low	58.5	Low	198 Å²	198	127.7 Å²	127.7	86%	0.861	68%	0.684	S	S	*	*	S	Bend	trans	-146.4	123.9	169.2	-65	-167.7	-178.7	-175.4	0	110.5	G221 A225	G221-K223 PolarHBondContact O-N 2.98Å; K223-A225 PolarHBondContact O-N 2.67Å; K223-A225 VanDerWaalsContact O-N 3.11Å
224	K	51.7	Low	57.6	Low	218 Å²	218	128.2 Å²	128.2	95%	0.948	70%	0.695	S	S	*	*			trans	-61.6	106.1	173	-69.3	-177.4	175.2	-177.1	0	108.6
225	A	40.8	Very low	56.4	Low	85 Å²	85	123.2 Å²	123.2	70%	0.702	68%	0.679	S	S	*	*			trans	-109.7	129.9	165	0	0	0	0	0	108.1	K223 A227	K223-A225 PolarHBondContact O-N 2.67Å; K223-A225 VanDerWaalsContact O-N 3.11Å; A225-A227 VanDerWaalsContact C-N 3.29Å; A225-A227 PolarHBondContact O-N 2.84Å
226	V	50	Low	55.5	Low	159 Å²	159	125.7 Å²	125.7	96%	0.964	69%	0.69	S	S	*	*	S	Bend	trans	-70.8	84.8	178.7	176.2	0	0	0	0	108.4
227	A	40.3	Very low	54.8	Low	61 Å²	61	125.3 Å²	125.3	50%	0.504	69%	0.694	S	S	.	*	S	Bend	trans	163.5	130.9	157.3	0	0	0	0	0	107.4	A225 I229	A225-A227 VanDerWaalsContact C-N 3.29Å; A225-A227 PolarHBondContact O-N 2.84Å; A227-I229 VanDerWaalsContact C-N 3.3Å; A227-I229 PolarHBondContact O-N 2.83Å
228	P	45.4	Very low	54.4	Low	142 Å²	142	125.8 Å²	125.8	92%	0.922	71%	0.705	S	S	*	*			trans	-77.8	82.4	-178.5	32.2	-31.3	0	0	0	109.5
229	I	55	Low	54	Low	109 Å²	109	126.4 Å²	126.4	56%	0.559	72%	0.715	S	S	*	*			trans	-112.9	88.7	165.8	-51.8	175.1	0	0	0	106.2	A227 R231	A227-I229 VanDerWaalsContact C-N 3.3Å; A227-I229 PolarHBondContact O-N 2.83Å; I229-R231 VanDerWaalsContact C-N 3.26Å; I229-R231 HydrophobicContact CG2-CG 3.67Å; I229-R231 PolarHBondContact O-N 3.21Å
230	S	56.4	Low	53.7	Low	89 Å²	89	122.8 Å²	122.8	62%	0.622	71%	0.705	S	S	*	*			trans	-68	90.1	168.6	-173.8	0	0	0	0	108.2	V232	S230-V232 PolarHBondContact O-N 2.98Å
231	R	58.3	Low	53.7	Low	201 Å²	201	123.6 Å²	123.6	76%	0.758	71%	0.708	S	S	*	*			trans	-84.4	98.6	168.1	-67.2	-164.8	179.1	113.1	-1.5	107.9	I229 G233	I229-R231 VanDerWaalsContact C-N 3.26Å; I229-R231 HydrophobicContact CG2-CG 3.67Å; I229-R231 PolarHBondContact O-N 3.21Å; R231-G233 PolarHBondContact O-N 3.45Å
232	V	56.8	Low	53.8	Low	58 Å²	58	124.3 Å²	124.3	35%	0.352	70%	0.704	S	S	.	*			trans	-82.6	112	169	-174.1	0	0	0	0	107.2	L217 S230	L217-V232 HydrophobicContact CB-CG1 3.52Å; L217-V232 HydrophobicContact CB-CG2 4.39Å; L217-V232 HydrophobicContact CD1-CG1 3.68Å; L217-V232 HydrophobicContact CG-CG1 4.13Å; S230-V232 PolarHBondContact O-N 2.98Å
233	G	62.7	Low	53.8	Low	54 Å²	54	121.7 Å²	121.7	56%	0.557	70%	0.7	S	S	*	*			trans	-75.2	-178.8	171.7	0	0	0	0	0	111.9	R231 A235	R231-G233 PolarHBondContact O-N 3.45Å; G233-A235 PolarHBondContact O-N 3.45Å
234	A	59.8	Low	54.2	Low	114 Å²	114	119.3 Å²	119.3	94%	0.942	69%	0.692	S	S	*	*	S	Bend	trans	-66.8	18.2	-174.5	0	0	0	0	0	116.8	L236	A234-L236 PolarHBondContact O-N 3.11Å
235	A	54	Low	54.3	Low	71 Å²	71	116.8 Å²	116.8	59%	0.587	69%	0.687	S	S	*	*			trans	-89.2	108.9	-177.3	0	0	0	0	0	111.2	G233	G233-A235 PolarHBondContact O-N 3.45Å
236	L	55.2	Low	55.2	Low	124 Å²	124	120.5 Å²	120.5	65%	0.649	69%	0.69	S	S	*	*			trans	-82.6	123.1	167.2	-59.7	171.6	0	0	0	108.2	R211 L217 A234	R211-L236 HydrophobicContact CG-CD1 4.28Å; L217-L236 HydrophobicContact CD2-CD2 4.13Å; A234-L236 PolarHBondContact O-N 3.11Å
237	S	53.1	Low	55.7	Low	86 Å²	86	115.5 Å²	115.5	60%	0.601	67%	0.671	S	S	*	*			trans	-114	124.2	171.9	-177.3	0	0	0	0	108.6
238	S	55.5	Low	56.6	Low	101 Å²	101	118.1 Å²	118.1	71%	0.706	68%	0.683	S	S	*	*			trans	-68.5	136.1	167.5	62.1	0	0	0	0	110.1
239	N	55.6	Low	57.1	Low	149 Å²	149	116.5 Å²	116.5	80%	0.797	67%	0.672	S	S	*	*			trans	74.3	92.2	164.7	-61.9	1	0	0	0	117.8
240	S	52.3	Low	57.2	Low	58 Å²	58	115.7 Å²	115.7	41%	0.406	68%	0.682	S	S	.	*				-151.3	114	121	55.9	0	0	0	0	110.4	K218 S242	K218-S240 WeakPolarHBondContact CE-OG 3.48Å; K218-S240 PolarHBondContact NZ-OG 3.29Å; S240-S242 PolarHBondContact O-N 2.86Å; S240-S242 VanDerWaalsContact O-N 3.08Å
241	R	54.9	Low	57.1	Low	252 Å²	252	118.5 Å²	118.5	95%	0.951	69%	0.689	S	S	*	*			trans	-69.9	94.3	167.7	-74.4	-179.3	-111.5	179	-4.6	108.7
242	S	58.6	Low	57	Low	67 Å²	67	113.5 Å²	113.5	47%	0.469	69%	0.691	S	S	.	*			trans	-85.6	101.7	161.6	27.8	0	0	0	0	108.6	D216 S240 Q244	D216-S242 PolarHBondContact OD2-OG 3.18Å; D216-S242 VanDerWaalsContact OD2-OG 3.05Å; S240-S242 PolarHBondContact O-N 2.86Å; S240-S242 VanDerWaalsContact O-N 3.08Å; S242-Q244 PolarHBondContact O-N 2.86Å; S242-Q244 VanDerWaalsContact O-N 3.09Å
243	L	58.8	Low	57.2	Low	160 Å²	160	116.1 Å²	116.1	84%	0.838	71%	0.712	S	S	*	*			trans	-65	103.5	162.7	-94.7	137.5	0	0	0	107.9	L245	L243-L245 PolarHBondContact O-N 3.4Å
244	Q	62.9	Low	57	Low	148 Å²	148	118.7 Å²	118.7	69%	0.692	72%	0.721	S	S	*	*			trans	-72.6	107.2	159.6	-70.2	-161.4	20.1	0	0	107.5	S242 Q246	S242-Q244 PolarHBondContact O-N 2.86Å; S242-Q244 VanDerWaalsContact O-N 3.09Å; Q244-Q246 PolarHBondContact O-N 2.92Å
245	L	54.8	Low	56.9	Low	164 Å²	164	115.9 Å²	115.9	86%	0.859	70%	0.704	S	S	*	*			trans	-70.1	85.9	166.7	-141.3	86.2	0	0	0	107.3	L243 G247	L243-L245 PolarHBondContact O-N 3.4Å; L245-G247 PolarHBondContact O-N 2.85Å
246	Q	59.7	Low	57.3	Low	163 Å²	163	121.6 Å²	121.6	76%	0.762	72%	0.718	S	S	*	*			trans	-71.2	112.3	159.9	-86	-176.2	19.9	0	0	106.6	Q244	Q244-Q246 PolarHBondContact O-N 2.92Å
247	G	59	Low	57.8	Low	54 Å²	54	122.2 Å²	122.2	56%	0.557	72%	0.722	S	S	*	*			trans	-53.4	147	163.8	0	0	0	0	0	109.2	L245	L245-G247 PolarHBondContact O-N 2.85Å
248	P	58.7	Low	58.6	Low	117 Å²	117	124 Å²	124	76%	0.76	73%	0.734	S	S	*	*			trans	-53.7	138.4	-171.8	20.9	-31.2	0	0	0	110	A250	P248-A250 PolarHBondContact O-N 3.04Å
249	P	57.4	Low	59.4	Low	107 Å²	107	124.8 Å²	124.8	70%	0.695	74%	0.739	S	S	*	*			trans	-66.1	93.2	170.6	27.5	-30.9	0	0	0	107.3	L251	P249-L251 PolarHBondContact O-N 2.88Å
250	A	56.7	Low	60.6	Low	93 Å²	93	125.3 Å²	125.3	77%	0.769	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	83.7	163.3	0	0	0	0	0	106.5	P248	P248-A250 PolarHBondContact O-N 3.04Å
251	L	55	Low	62	Low	148 Å²	148	129.3 Å²	129.3	78%	0.775	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-178.3	-5.2	161.3	-95.4	163.6	0	0	0	113.3	P249 S253	P249-L251 PolarHBondContact O-N 2.88Å; L251-S253 PolarHBondContact O-N 3.42Å
252	A	55.9	Low	63.4	Low	95 Å²	95	124.7 Å²	124.7	79%	0.785	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	28.7	176.2	0	0	0	0	0	114.6
253	S	59.7	Low	64.7	Low	113 Å²	113	128.5 Å²	128.5	79%	0.79	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.9	38.7	172.5	-142.4	0	0	0	0	112.8	L251	L251-S253 PolarHBondContact O-N 3.42Å
254	S	59.5	Low	65.9	Low	108 Å²	108	124.3 Å²	124.3	76%	0.755	74%	0.742	S	S	*	*	S	Bend	trans	-124.7	96.5	170.9	-161.9	0	0	0	0	109.5
255	G	57.7	Low	66.8	Low	56 Å²	56	124.5 Å²	124.5	58%	0.577	74%	0.743	S	S	*	*			trans	128	65.7	179.2	0	0	0	0	0	113	N257	G255-N257 PolarHBondContact O-N 2.9Å
256	Q	62.8	Low	68.1	Low	191 Å²	191	123.6 Å²	123.6	89%	0.893	74%	0.739	S	S	*	*			trans	-71.5	77.1	162.7	-72.7	-172.8	-3.4	0	0	109.1
257	N	64.3	Low	68.9	Low	136 Å²	136	124.3 Å²	124.3	73%	0.727	74%	0.739	S	S	*	*			trans	-88.8	128.2	163.6	-48	-5.4	0	0	0	104.6	G255 C259	G255-N257 PolarHBondContact O-N 2.9Å; N257-C259 PolarHBondContact O-N 3.1Å
258	S	70.7	Confident	69.2	Low	123 Å²	123	123.6 Å²	123.6	86%	0.86	73%	0.728	S	S	*	*			trans	-32.6	104.5	-172.2	54.9	0	0	0	0	114
259	C	71.8	Confident	69.2	Low	119 Å²	119	124.8 Å²	124.8	80%	0.804	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-79.1	125.9	177	-179.4	0	0	0	0	109	N257 V261	N257-C259 PolarHBondContact O-N 3.1Å; C259-V261 PolarHBondContact O-N 3.44Å
260	L	80.4	Confident	69.2	Low	159 Å²	159	125 Å²	125	83%	0.832	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-69.4	125.8	171.8	-66.4	170	0	0	0	108.6	I262	L260-I262 PolarHBondContact O-N 3.31Å
261	V	83.1	Confident	69.2	Low	143 Å²	143	124 Å²	124	87%	0.867	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-70.5	124	173.6	-178.7	0	0	0	0	108	C259	C259-V261 PolarHBondContact O-N 3.44Å
262	I	84.8	Confident	69.3	Low	154 Å²	154	125.4 Å²	125.4	79%	0.79	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-64	139	177.1	-58.6	171.5	0	0	0	108.5	L260 D264	L260-I262 PolarHBondContact O-N 3.31Å; I262-D264 PolarHBondContact O-N 2.99Å
263	F	85.8	Confident	69.3	Low	148 Å²	148	126.7 Å²	126.7	65%	0.649	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-58.2	129.7	178.7	-178.5	-109	0	0	0	111.1	E265 A268	F263-E265 HydrophobicContact CD1-CG 3.73Å; F263-E265 HydrophobicContact CE1-CB 4.35Å; F263-E265 HydrophobicContact CE1-CG 3.74Å; F263-A268 HydrophobicContact CZ-CB 3.97Å
264	D	83.8	Confident	69	Low	72 Å²	72	126.3 Å²	126.3	39%	0.385	73%	0.729	S	S	.	*			trans	-99.2	98.2	176.9	-178.9	9.1	0	0	0	109.3	I262 N266 K267	I262-D264 PolarHBondContact O-N 2.99Å; D264-N266 PolarHBondContact O-N 3.27Å; D264-N266 VanDerWaalsContact O-N 3.15Å; D264-N266 WeakPolarHBondContact OD1-CB 3.43Å; D264-N266 PolarHBondContact OD1-N 3.31Å; D264-N266 VanDerWaalsContact OD1-N 3.14Å; D264-N266 PolarHBondContact OD1-ND2 3.45Å; D264-N266 VanDerWaalsContact OD1-ND2 3.12Å; D264-K267 PolarHBondContact O-N 3.44Å; D264-K267 VanDerWaalsContact O-N 3.13Å
265	E	81.9	Confident	68.6	Low	152 Å²	152	129.5 Å²	129.5	71%	0.71	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-58.5	-24.1	179.4	-62.8	-173.6	158.4	0	0	112.3	F263 K267 A268	F263-E265 HydrophobicContact CD1-CG 3.73Å; F263-E265 HydrophobicContact CE1-CB 4.35Å; F263-E265 HydrophobicContact CE1-CG 3.74Å; E265-K267 VanDerWaalsContact C-N 3.26Å; E265-K267 PolarHBondContact O-N 3.18Å; E265-A268 PolarHBondContact O-N 3.18Å
266	N	82.3	Confident	68.3	Low	145 Å²	145	134.6 Å²	134.6	78%	0.775	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-71.8	-18.7	179.9	-57.8	-60.2	0	0	0	113.5	D264	D264-N266 PolarHBondContact O-N 3.27Å; D264-N266 VanDerWaalsContact O-N 3.15Å; D264-N266 WeakPolarHBondContact OD1-CB 3.43Å; D264-N266 PolarHBondContact OD1-N 3.31Å; D264-N266 VanDerWaalsContact OD1-N 3.14Å; D264-N266 PolarHBondContact OD1-ND2 3.45Å; D264-N266 VanDerWaalsContact OD1-ND2 3.12Å
267	K	76.6	Confident	67.6	Low	178 Å²	178	135.3 Å²	135.3	77%	0.774	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-83.9	-18.5	176	-78.3	-173.6	179.5	-174.9	0	113.3	D264 E265	D264-K267 PolarHBondContact O-N 3.44Å; D264-K267 VanDerWaalsContact O-N 3.13Å; E265-K267 VanDerWaalsContact C-N 3.26Å; E265-K267 PolarHBondContact O-N 3.18Å
268	A	64.9	Low	67	Low	38 Å²	38	133.4 Å²	133.4	31%	0.314	74%	0.735	S	S	.	*			trans	-107.3	84.5	-178.5	0	0	0	0	0	110.2	F263 E265 S270	F263-A268 HydrophobicContact CZ-CB 3.97Å; E265-A268 PolarHBondContact O-N 3.18Å; A268-S270 PolarHBondContact O-N 3.38Å
269	V	58	Low	66.4	Low	142 Å²	142	135.6 Å²	135.6	86%	0.861	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	1.6	-174.1	-177.6	0	0	0	0	114.3
270	S	57.6	Low	65.8	Low	113 Å²	113	134 Å²	134	79%	0.79	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.2	14.8	-171.1	54.2	0	0	0	0	115.8	A268 E272	A268-S270 PolarHBondContact O-N 3.38Å; S270-E272 PolarHBondContact O-N 3.44Å
271	A	57	Low	65.2	Low	72 Å²	72	131.5 Å²	131.5	60%	0.595	70%	0.701	S	S	*	*			trans	-73.2	98.6	171.5	0	0	0	0	0	109
272	E	57	Low	64.5	Low	176 Å²	176	133.7 Å²	133.7	82%	0.822	70%	0.704	S	S	*	*			trans	-53	132	161.5	-80.6	-170.7	148.4	0	0	107.8	S270 S274	S270-E272 PolarHBondContact O-N 3.44Å; E272-S274 PolarHBondContact O-N 3.33Å
273	P	56.6	Low	64	Low	122 Å²	122	129.3 Å²	129.3	79%	0.792	69%	0.691	S	S	*	*			trans	-56.1	117	174.2	-19	29.4	0	0	0	107.6	E275	P273-E275 PolarHBondContact O-N 2.75Å
274	S	52.3	Low	63.4	Low	105 Å²	105	124 Å²	124	73%	0.734	67%	0.671	S	S	*	*			trans	-45	119	176.4	-47.4	0	0	0	0	108.6	E272 L276	E272-S274 PolarHBondContact O-N 3.33Å; S274-L276 PolarHBondContact O-N 3.48Å
275	E	50.4	Low	63	Low	176 Å²	176	121.2 Å²	121.2	82%	0.822	66%	0.657	S	S	*	*			trans	-54.2	110.1	168.7	-93.2	-174.7	161.1	0	0	106.6	P273 K277	P273-E275 PolarHBondContact O-N 2.75Å; E275-K277 PolarHBondContact O-N 3.16Å
276	L	52.2	Low	62.6	Low	163 Å²	163	117.8 Å²	117.8	85%	0.853	65%	0.648	S	S	*	*			trans	-55.2	112.9	-178.3	-71.1	170.6	0	0	0	107.2	S274 L278	S274-L276 PolarHBondContact O-N 3.48Å; L276-L278 PolarHBondContact O-N 3.09Å
277	K	47.3	Very low	61.8	Low	205 Å²	205	112 Å²	112	89%	0.891	62%	0.619	S	S	*	*			trans	-56.1	113.1	176.7	-155.4	178.5	-172.8	-178.1	0	106.5	E275 E279	E275-K277 PolarHBondContact O-N 3.16Å; K277-E279 PolarHBondContact O-N 2.73Å
278	L	52.3	Low	61.6	Low	96 Å²	96	108.7 Å²	108.7	50%	0.503	60%	0.602	S	S	.	*			trans	-59	98.2	-170.8	-166.6	67.1	0	0	0	108.9	A132 L276 S280	A132-L278 HydrophobicContact CB-CD1 4.21Å; A132-L278 HydrophobicContact CB-CG 4.32Å; L276-L278 PolarHBondContact O-N 3.09Å; L278-S280 PolarHBondContact O-N 3.21Å
279	E	58.5	Low	62	Low	170 Å²	170	109.9 Å²	109.9	79%	0.794	60%	0.6	S	S	*	*			trans	-69.5	119	175.1	-164.8	166.7	-167.6	0	0	107.2	K277 W281	K277-E279 PolarHBondContact O-N 2.73Å; E279-W281 PolarHBondContact O-N 3.48Å
280	S	59.5	Low	62.8	Low	85 Å²	85	109.6 Å²	109.6	59%	0.594	59%	0.587	S	S	*	*			trans	-64.9	109.2	-178	55.6	0	0	0	0	109	L278 M282	L278-S280 PolarHBondContact O-N 3.21Å; S280-M282 PolarHBondContact O-N 3.31Å
281	W	68.2	Low	63.9	Low	106 Å²	106	113.3 Å²	113.3	40%	0.402	59%	0.592	S	S	.	*			trans	-61.5	119.9	175.7	-87.2	52.7	0	0	0	110.3	Y129 A132 Q133 E279 A283 P285	Y129-W281 HydrophobicContact CD2-CB 3.6Å; Y129-W281 HydrophobicContact CD2-CD2 4.43Å; Y129-W281 HydrophobicContact CD2-CE3 4.14Å; Y129-W281 HydrophobicContact CD2-CG 4.28Å; Y129-W281 HydrophobicContact CE2-CB 3.94Å; A132-W281 HydrophobicContact CB-CB 4.45Å; A132-W281 HydrophobicContact CB-CG 4.46Å; Q133-W281 PolarHBondContact NE2-O 3.35Å; E279-W281 PolarHBondContact O-N 3.48Å; W281-A283 VanDerWaalsContact C-N 3.33Å; W281-A283 PolarHBondContact O-N 3.41Å; W281-P285 HydrophobicContact CE3-CG 4.32Å; W281-P285 HydrophobicContact CZ3-CB 4.48Å; W281-P285 HydrophobicContact CZ3-CG 3.81Å
282	M	66.6	Low	65	Low	190 Å²	190	116 Å²	116	94%	0.936	60%	0.596	S	S	*	*	S	Bend	trans	-72.7	-21.9	-174.3	-67.5	-154.5	72.3	0	0	114.6	S280	S280-M282 PolarHBondContact O-N 3.31Å
283	A	74.8	Confident	66	Low	61 Å²	61	111.2 Å²	111.2	50%	0.504	57%	0.574	S	S	.	*	S	Bend	trans	-143.8	147.9	-179.1	0	0	0	0	0	111.1	Y129 W281	Y129-A283 WeakPolarHBondContact CE2-O 3.44Å; W281-A283 VanDerWaalsContact C-N 3.33Å; W281-A283 PolarHBondContact O-N 3.41Å
284	P	72.9	Confident	67	Low	38 Å²	38	114 Å²	114	25%	0.247	58%	0.576	C	S	.	*	P	Polyproline II helix	trans	-63.7	143.4	173.4	25.5	-32.1	0	0	0	110.7	W113 Y129	W113-P284 HydrophobicContact CH2-CB 4.16Å; Y129-P284 HydrophobicContact CD1-CB 4.32Å; Y129-P284 HydrophobicContact CE1-CB 3.97Å; Y129-P284 HydrophobicContact CE2-CB 4.24Å
285	P	75.8	Confident	67.9	Low	13 Å²	13	116.5 Å²	116.5	8%	0.084	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-56.6	139.6	174.8	-17.7	24.8	0	0	0	110.9	D125 I126 W281	D125-P285 HydrophobicContact CB-CB 4.01Å; D125-P285 HydrophobicContact CB-CG 3.82Å; D125-P285 WeakPolarHBondContact O-CG 3.37Å; I126-P285 HydrophobicContact CG1-CB 4.48Å; I126-P285 HydrophobicContact CG1-CG 4.35Å; W281-P285 HydrophobicContact CE3-CG 4.32Å; W281-P285 HydrophobicContact CZ3-CB 4.48Å; W281-P285 HydrophobicContact CZ3-CG 3.81Å
286	P	73.8	Confident	68.9	Low	79 Å²	79	113.6 Å²	113.6	51%	0.513	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-67.2	142.7	176.2	29.9	-34	0	0	0	109.6	R288	P286-R288 PolarHBondContact O-N 3.46Å; P286-R288 VanDerWaalsContact O-N 3.1Å
287	S	66.6	Low	69.6	Low	25 Å²	25	113.9 Å²	113.9	18%	0.175	56%	0.563	C	S	.	*	S	Bend	trans	-65.4	-14.2	176.6	57.1	0	0	0	0	113.6
288	R	70.8	Confident	70.2	Confident	108 Å²	108	112.6 Å²	112.6	41%	0.408	56%	0.557	S	S	.	*	S	Bend	trans	-144	140.4	179.2	-59.9	-176	-176.3	-145.1	-0.3	112.9	P286 K290 E293	P286-R288 PolarHBondContact O-N 3.46Å; P286-R288 VanDerWaalsContact O-N 3.1Å; R288-K290 PolarHBondContact O-N 2.93Å; R288-E293 IonicContact NH1-OE2 2.81Å; R288-E293 PolarHBondContact NH1-OE2 3.43Å
289	F	74.2	Confident	70.4	Confident	63 Å²	63	119.3 Å²	119.3	28%	0.276	58%	0.576	S	S	.	*			trans	-82.8	101.3	172.4	-63.2	-76.6	0	0	0	110.7	H121 E122 E291 N292 E293	H121-F289 HydrophobicContact CB-CD2 4.35Å; H121-F289 HydrophobicContact CB-CE2 4.35Å; H121-F289 AromaticContact ND1-CD2 3.97Å; H121-F289 AromaticContact ND1-CE2 3.91Å; E122-F289 HydrophobicContact CB-CE2 3.96Å; E122-F289 HydrophobicContact CB-CZ 4.08Å; E122-F289 WeakPolarHBondContact OE2-CZ 3.4Å; F289-E291 PolarHBondContact O-N 3.35Å; F289-E291 VanDerWaalsContact O-N 3.09Å; F289-N292 HydrophobicContact CB-CB 3.99Å; F289-N292 WeakPolarHBondContact CB-ND2 3.4Å; F289-N292 PolarHBondContact O-N 3.21Å; F289-E293 PolarHBondContact O-N 3.19Å
290	K	75	Confident	70	Confident	135 Å²	135	115.5 Å²	115.5	59%	0.587	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-23.5	-175.2	-65.9	174.4	-176.8	170.2	0	114.1	R288	R288-K290 PolarHBondContact O-N 2.93Å
291	E	80.3	Confident	69.6	Low	192 Å²	192	119.5 Å²	119.5	90%	0.897	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-22.9	179.2	-62.6	-174.7	174.5	0	0	113.2	F289	F289-E291 PolarHBondContact O-N 3.35Å; F289-E291 VanDerWaalsContact O-N 3.09Å
292	N	80.9	Confident	68.7	Low	127 Å²	127	118.4 Å²	118.4	68%	0.679	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-24	179.8	-65.3	-15.5	0	0	0	112.3	F289	F289-N292 HydrophobicContact CB-CB 3.99Å; F289-N292 WeakPolarHBondContact CB-ND2 3.4Å; F289-N292 PolarHBondContact O-N 3.21Å
293	E	77.9	Confident	68.1	Low	77 Å²	77	119 Å²	119	36%	0.36	59%	0.585	S	S	.	*			trans	-110.2	116	-179.5	-68.5	-174.8	-172	0	0	112	R288 F289	R288-E293 IonicContact NH1-OE2 2.81Å; R288-E293 PolarHBondContact NH1-OE2 3.43Å; F289-E293 PolarHBondContact O-N 3.19Å
294	Q	77.8	Confident	66.7	Low	179 Å²	179	124.1 Å²	124.1	84%	0.836	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-82.8	119.2	166.9	-168.6	175.3	18.1	0	0	110.1
295	R	71.1	Confident	65.6	Low	158 Å²	158	126.4 Å²	126.4	60%	0.596	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-71.9	134.5	170.5	-68.3	-171.6	178.2	-178.1	0.2	109.7	E297	R295-E297 PolarHBondContact O-N 3Å; R295-E297 VanDerWaalsContact O-N 3.16Å
296	P	69.8	Low	64	Low	115 Å²	115	135 Å²	135	75%	0.747	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-66	116.8	177.3	26	-32.5	0	0	0	109.9	K298	P296-K298 VanDerWaalsContact C-N 3.33Å; P296-K298 PolarHBondContact O-N 3.26Å
297	E	66.9	Low	62.4	Low	170 Å²	170	139.4 Å²	139.4	79%	0.794	67%	0.668	S	S	*	*	S	Bend	trans	-76.5	-16.5	-179.6	-73	-176.8	157.4	0	0	113.6	R295	R295-E297 PolarHBondContact O-N 3Å; R295-E297 VanDerWaalsContact O-N 3.16Å
298	K	60.6	Low	61.5	Low	178 Å²	178	143.2 Å²	143.2	77%	0.774	70%	0.695	S	S	*	*	S	Bend	trans	-140.6	54	-166	-62.7	-177.8	-174	173	0	114.8	P296	P296-K298 VanDerWaalsContact C-N 3.33Å; P296-K298 PolarHBondContact O-N 3.26Å
299	W	55.8	Low	60	Low	237 Å²	237	148.6 Å²	148.6	90%	0.898	72%	0.715	S	S	*	*	S	Bend	trans	-128.6	83.9	138.7	-77.4	72	0	0	0	104.5	N301	W299-N301 PolarHBondContact O-N 3.38Å
300	S	49.9	Very low	58.5	Low	89 Å²	89	155.3 Å²	155.3	62%	0.622	74%	0.744	S	S	*	*			trans	-56.1	128.5	179.3	56.6	0	0	0	0	107.1	V302	S300-V302 PolarHBondContact O-N 2.7Å; S300-V302 WeakPolarHBondContact OG-CG2 3.34Å
301	N	52.7	Low	56.8	Low	170 Å²	170	151.7 Å²	151.7	91%	0.909	75%	0.745	S	S	*	*			trans	-65.9	36.2	170.9	-64.1	-65.7	0	0	0	111.2	W299 K303	W299-N301 PolarHBondContact O-N 3.38Å; N301-K303 VanDerWaalsContact C-N 3.34Å; N301-K303 PolarHBondContact O-N 3.26Å
302	V	47.9	Very low	54.9	Low	83 Å²	83	151.5 Å²	151.5	50%	0.503	74%	0.744	S	S	.	*			trans	-70.5	99.4	168.5	176.2	0	0	0	0	104.1	S300 M304	S300-V302 PolarHBondContact O-N 2.7Å; S300-V302 WeakPolarHBondContact OG-CG2 3.34Å; V302-M304 PolarHBondContact O-N 2.88Å
303	K	55.1	Low	52.7	Low	202 Å²	202	150.5 Å²	150.5	88%	0.878	75%	0.747	S	S	*	*			trans	-44.2	102.8	147.4	-69.3	-178.4	178.3	-179	0	104.8	N301 P305	N301-K303 VanDerWaalsContact C-N 3.34Å; N301-K303 PolarHBondContact O-N 3.26Å; K303-P305 VanDerWaalsContact O-CD 3.31Å; K303-P305 WeakPolarHBondContact O-CD 3.49Å
304	M	45.3	Very low	50.9	Low	169 Å²	169	153.4 Å²	153.4	83%	0.833	77%	0.77	S	S	*	*			trans	-48.4	118.9	-176.5	-82.9	-111.3	-101	0	0	106.4	V302 M306	V302-M304 PolarHBondContact O-N 2.88Å; M304-M306 PolarHBondContact O-N 3.28Å
305	P	48.5	Very low	49.1	Very low	86 Å²	86	150.6 Å²	150.6	56%	0.558	77%	0.765	S	S	*	*			trans	-58.1	120.5	166.3	21	-25.7	0	0	0	104.3	K303 K307	K303-P305 VanDerWaalsContact O-CD 3.31Å; K303-P305 WeakPolarHBondContact O-CD 3.49Å; P305-K307 PolarHBondContact O-N 3Å
306	M	42.7	Very low	47.7	Very low	194 Å²	194	147.3 Å²	147.3	96%	0.956	77%	0.771	S	S	*	*			trans	-53.1	94.5	164.8	-95.3	-178.1	139.7	0	0	105.5	M304 S308	M304-M306 PolarHBondContact O-N 3.28Å; M306-S308 PolarHBondContact O-N 3.41Å
307	K	40.7	Very low	46.2	Very low	170 Å²	170	149.5 Å²	149.5	74%	0.739	78%	0.776	S	S	*	*			trans	-67.2	96.1	171	-77.7	-177.9	176.8	179.1	0	104.2	P305 R309	P305-K307 PolarHBondContact O-N 3Å; K307-R309 HydrophobicContact CB-CG 4.37Å; K307-R309 PolarHBondContact O-N 3.23Å
308	S	48.4	Very low	45.4	Very low	105 Å²	105	146.7 Å²	146.7	73%	0.734	77%	0.773	S	S	*	*			trans	-53.7	96	157.1	177.7	0	0	0	0	106.5	M306 F310	M306-S308 PolarHBondContact O-N 3.41Å; S308-F310 VanDerWaalsContact C-N 3.29Å; S308-F310 PolarHBondContact O-N 3.44Å
309	R	39.4	Very low	45.2	Very low	221 Å²	221	143.8 Å²	143.8	83%	0.834	77%	0.774	S	S	*	*			trans	-86.2	78.9	173.2	-77.9	-159.9	-102.2	-178.6	-4.6	107.8	K307	K307-R309 HydrophobicContact CB-CG 4.37Å; K307-R309 PolarHBondContact O-N 3.23Å
310	F	41.7	Very low	45.3	Very low	204 Å²	204	141.6 Å²	141.6	90%	0.895	77%	0.771	S	S	*	*			trans	-84.2	108.7	142.4	-103.4	-90.3	0	0	0	107	S308	S308-F310 VanDerWaalsContact C-N 3.29Å; S308-F310 PolarHBondContact O-N 3.44Å
311	G	39.7	Very low	45.5	Very low	59 Å²	59	143 Å²	143	61%	0.608	78%	0.778	S	S	*	*	S	Bend	trans	150.6	97.3	177.2	0	0	0	0	0	112.3
312	H	40.1	Very low	45.9	Very low	188 Å²	188	143.1 Å²	143.1	87%	0.87	78%	0.779	S	S	*	*			trans	-61.3	133.6	178.8	-70.5	-109.8	0	0	0	112.1
313	S	33.6	Very low	47.1	Very low	107 Å²	107	147.1 Å²	147.1	75%	0.748	79%	0.79	S	S	*	*			trans	-132.4	108.3	152.6	-175.4	0	0	0	0	106.7	V315	S313-V315 PolarHBondContact O-N 3Å; S313-V315 VanDerWaalsContact O-N 3.16Å
314	V	41.9	Very low	47.7	Very low	137 Å²	137	146.3 Å²	146.3	83%	0.83	79%	0.789	S	S	*	*			trans	-73.3	101.3	176.1	175.7	0	0	0	0	107.2
315	V	39	Very low	48.7	Very low	121 Å²	121	142.5 Å²	142.5	73%	0.733	78%	0.777	S	S	*	*			trans	-108.2	124	160.8	177	0	0	0	0	106.4	S313 L317	S313-V315 PolarHBondContact O-N 3Å; S313-V315 VanDerWaalsContact O-N 3.16Å; V315-L317 PolarHBondContact O-N 3.38Å
316	A	41.6	Very low	49.5	Very low	89 Å²	89	147.4 Å²	147.4	74%	0.736	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-57.4	132.1	-179.9	0	0	0	0	0	111.4
317	L	39.3	Very low	50.8	Low	160 Å²	160	144.2 Å²	144.2	84%	0.838	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-70.4	133.7	176.5	-76.9	142.5	0	0	0	110.8	V315	V315-L317 PolarHBondContact O-N 3.38Å
318	P	50.4	Low	51.7	Low	112 Å²	112	144 Å²	144	73%	0.727	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-68.7	150.9	156.9	28.5	-30.1	0	0	0	110.5
319	S	55.5	Low	52.2	Low	116 Å²	116	148.2 Å²	148.2	81%	0.811	79%	0.791	S	S	*	*			trans	-45.7	130.6	-173.9	50.7	0	0	0	0	114.3
320	K	58.7	Low	53	Low	192 Å²	192	142.5 Å²	142.5	84%	0.835	78%	0.784	S	S	*	*			trans	-58.8	135.2	178.5	-64.4	178.9	178.9	179.2	0	111.4
321	P	53.8	Low	53.2	Low	117 Å²	117	140.5 Å²	140.5	76%	0.76	78%	0.783	S	S	*	*			trans	-67.5	143.1	161.8	28.3	-30.9	0	0	0	110.2	F323	P321-F323 VanDerWaalsContact C-N 3.32Å; P321-F323 PolarHBondContact O-N 2.72Å
322	N	61.1	Low	53.8	Low	174 Å²	174	146.7 Å²	146.7	93%	0.93	80%	0.796	S	S	*	*	S	Bend	trans	-77.9	73.8	-176.6	-172.7	18	0	0	0	111.6
323	F	72.2	Confident	54.1	Low	167 Å²	167	143.3 Å²	143.3	73%	0.732	79%	0.791	S	S	*	*			trans	-150.9	124.7	163.2	-173.4	-98.3	0	0	0	108	P321 P325	P321-F323 VanDerWaalsContact C-N 3.32Å; P321-F323 PolarHBondContact O-N 2.72Å; F323-P325 HydrophobicContact CD1-CG 4.46Å; F323-P325 WeakPolarHBondContact O-CD 3.16Å
324	Q	68.1	Low	54.7	Low	184 Å²	184	143.8 Å²	143.8	86%	0.86	79%	0.791	S	S	*	*			trans	-95.7	109.6	171.8	-73.6	-175.5	-13.3	0	0	108
325	P	66.4	Low	54.6	Low	90 Å²	90	142.1 Å²	142.1	58%	0.584	79%	0.792	S	S	*	*			trans	-58.8	140.5	163.5	-14.3	28.4	0	0	0	108.5	F323 V327	F323-P325 HydrophobicContact CD1-CG 4.46Å; F323-P325 WeakPolarHBondContact O-CD 3.16Å; P325-V327 PolarHBondContact O-N 3.41Å; P325-V327 VanDerWaalsContact O-N 3.16Å
326	F	65.3	Low	54.6	Low	189 Å²	189	144.8 Å²	144.8	83%	0.829	80%	0.799	S	S	*	*			trans	-56.4	119.3	179.2	-169	-94.8	0	0	0	110	E328	F326-E328 HydrophobicContact CD1-CG 4.36Å; F326-E328 HydrophobicContact CE1-CG 3.95Å
327	V	69.7	Low	54.7	Low	127 Å²	127	146.2 Å²	146.2	77%	0.77	80%	0.798	S	S	*	*			trans	-100.9	115.7	173.8	174.8	0	0	0	0	106.4	P325 E329	P325-V327 PolarHBondContact O-N 3.41Å; P325-V327 VanDerWaalsContact O-N 3.16Å; V327-E329 PolarHBondContact O-N 2.92Å
328	E	59.6	Low	54.7	Low	165 Å²	165	144.7 Å²	144.7	77%	0.771	80%	0.798	S	S	*	*			trans	-62.3	119	172.1	-90.9	177.1	158.8	0	0	109.6	F326 S330	F326-E328 HydrophobicContact CD1-CG 4.36Å; F326-E328 HydrophobicContact CE1-CG 3.95Å; E328-S330 PolarHBondContact O-N 3.23Å
329	E	59.6	Low	54.2	Low	194 Å²	194	144.7 Å²	144.7	91%	0.907	80%	0.799	S	S	*	*	S	Bend	trans	-77.9	64.5	-178.3	-167.2	-177.9	-169.4	0	0	110.2	V327	V327-E329 PolarHBondContact O-N 2.92Å
330	S	55.7	Low	53.5	Low	100 Å²	100	149 Å²	149	70%	0.699	80%	0.804	S	S	*	*			trans	-165.8	86.7	167	-82	0	0	0	0	108.4	E328	E328-S330 PolarHBondContact O-N 3.23Å
331	D	46.8	Very low	53	Low	162 Å²	162	147.3 Å²	147.3	87%	0.866	80%	0.802	S	S	*	*			trans	-172.5	93.9	149	-89	-27.4	0	0	0	109	P333	D331-P333 WeakPolarHBondContact O-CD 3.35Å
332	Q	51.2	Low	52.7	Low	190 Å²	190	148.1 Å²	148.1	89%	0.888	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-66.6	120.9	160.4	-102.2	171.7	-11.5	0	0	107.8
333	P	46.9	Very low	52.1	Low	116 Å²	116	145.8 Å²	145.8	75%	0.753	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.2	134	175.4	25.9	-31.7	0	0	0	109.4	D331 A335	D331-P333 WeakPolarHBondContact O-CD 3.35Å; P333-A335 PolarHBondContact O-N 2.97Å
334	P	46.1	Very low	50.9	Low	117 Å²	117	142.2 Å²	142.2	76%	0.76	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-65.2	136.8	177.6	24.9	-31.6	0	0	0	110.6	M336	P334-M336 PolarHBondContact O-N 2.81Å; P334-M336 VanDerWaalsContact O-N 3.14Å
335	A	40.5	Very low	49.9	Very low	102 Å²	102	139.6 Å²	139.6	84%	0.843	79%	0.792	S	S	*	*			trans	-65.9	109.4	175.7	0	0	0	0	0	110.3	P333	P333-A335 PolarHBondContact O-N 2.97Å
336	M	39.2	Very low	48.9	Very low	177 Å²	177	142.3 Å²	142.3	87%	0.872	80%	0.801	S	S	*	*			trans	-80.9	121.4	173.7	-65.7	-165	77.7	0	0	110.7	P334	P334-M336 PolarHBondContact O-N 2.81Å; P334-M336 VanDerWaalsContact O-N 3.14Å
337	T	43.4	Very low	48.2	Very low	119 Å²	119	139 Å²	139	73%	0.73	80%	0.802	S	S	*	*			trans	-79.5	138.5	166.2	40.6	0	0	0	0	110.4	C339	T337-C339 PolarHBondContact O-N 3.09Å
338	P	39.2	Very low	46.7	Very low	128 Å²	128	138.6 Å²	138.6	83%	0.831	80%	0.799	S	S	*	*			trans	-83.6	103.6	-175.4	30.6	-31	0	0	0	111.3
339	C	39.6	Very low	45.8	Very low	112 Å²	112	138.7 Å²	138.7	76%	0.757	80%	0.804	S	S	*	*			trans	-86.3	115.5	163.7	-66.8	0	0	0	0	109.7	T337 I341	T337-C339 PolarHBondContact O-N 3.09Å; C339-I341 PolarHBondContact O-N 3.05Å
340	K	41.3	Very low	45.2	Very low	207 Å²	207	134.9 Å²	134.9	90%	0.9	80%	0.799	S	S	*	*			trans	-70	114.3	171.9	-72.1	-178.1	177.5	178.1	0	109.6
341	I	46.4	Very low	44.7	Very low	156 Å²	156	134.4 Å²	134.4	80%	0.8	80%	0.801	S	S	*	*			trans	-95.6	121.2	170.1	-57	170.8	0	0	0	107.7	C339	C339-I341 PolarHBondContact O-N 3.05Å
342	N	48.4	Very low	44.3	Very low	135 Å²	135	138.3 Å²	138.3	72%	0.722	80%	0.804	S	S	*	*			trans	-70.3	132.2	178.1	-95.2	-45.6	0	0	0	110.8	A344	N342-A344 PolarHBondContact O-N 3.3Å; N342-A344 VanDerWaalsContact O-N 3.11Å
343	P	49	Very low	43.7	Very low	125 Å²	125	138.4 Å²	138.4	81%	0.812	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	16.4	-174.2	32.2	-35	0	0	0	114.8	V345	P343-V345 PolarHBondContact O-N 2.98Å
344	A	45.7	Very low	43.4	Very low	92 Å²	92	139.2 Å²	139.2	76%	0.76	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	2.9	-170.1	0	0	0	0	0	115.4	N342	N342-A344 PolarHBondContact O-N 3.3Å; N342-A344 VanDerWaalsContact O-N 3.11Å
345	V	47.1	Very low	42.6	Very low	128 Å²	128	139.9 Å²	139.9	78%	0.776	81%	0.813	S	S	*	*			trans	-131.4	69.1	-179.6	-76.1	0	0	0	0	111.3	P343	P343-V345 PolarHBondContact O-N 2.98Å
346	N	45.7	Very low	42.5	Very low	147 Å²	147	138.1 Å²	138.1	79%	0.786	80%	0.804	S	S	*	*			trans	-145.5	77.8	157.8	-108.7	-31.1	0	0	0	109.2
347	S	51.1	Low	42.6	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	81%	0.805	S	S	*	*			trans	-89.4	91	156.9	-177.2	0	0	0	0	106.9
348	V	39.4	Very low	42.4	Very low	119 Å²	119	135.9 Å²	135.9	72%	0.721	79%	0.789	S	S	*	*			trans	-127.1	122.3	165.1	-175.8	0	0	0	0	107.3	S350	V348-S350 PolarHBondContact O-N 3.15Å
349	L	40.4	Very low	42.8	Very low	167 Å²	167	132 Å²	132	87%	0.874	76%	0.762	S	S	*	*			trans	-57.9	114.8	-175.6	-62.5	166.4	0	0	0	110.2	A351	L349-A351 PolarHBondContact O-N 3.24Å
350	S	47.2	Very low	43.3	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	75%	0.753	S	S	*	*			trans	-70.4	114.3	173.1	177.1	0	0	0	0	109.5	V348 R352	V348-S350 PolarHBondContact O-N 3.15Å; S350-R352 PolarHBondContact O-N 3.22Å
351	A	43.5	Very low	43.5	Very low	89 Å²	89	124 Å²	124	74%	0.736	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-61.1	132.2	166.6	0	0	0	0	0	109.2	L349 K353	L349-A351 PolarHBondContact O-N 3.24Å; A351-K353 PolarHBondContact O-N 3.11Å
352	R	39.3	Very low	43.6	Very low	244 Å²	244	121.8 Å²	121.8	92%	0.921	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-50.5	126	176.4	-89.9	-178.6	175.8	-178.8	-1.1	109.7	S350	S350-R352 PolarHBondContact O-N 3.22Å
353	K	39.3	Very low	43.9	Very low	193 Å²	193	120.1 Å²	120.1	84%	0.839	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-56.1	127.2	165	-76	176.8	174.9	176.6	0	108.7	A351 C355	A351-K353 PolarHBondContact O-N 3.11Å; K353-C355 PolarHBondContact O-N 3.16Å
354	P	39.7	Very low	43.7	Very low	133 Å²	133	118.5 Å²	118.5	86%	0.864	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-64.2	119.4	165.6	24.1	-27	0	0	0	107.7
355	C	29.5	Very low	43.6	Very low	131 Å²	131	119.1 Å²	119.1	89%	0.885	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-89.7	128.2	174.1	-173.2	0	0	0	0	107.8	K353	K353-C355 PolarHBondContact O-N 3.16Å
356	G	37.3	Very low	43.5	Very low	64 Å²	64	117.1 Å²	117.1	66%	0.66	65%	0.648	S	S	*	*	S	Bend	trans	82.2	121.6	160.4	0	0	0	0	0	115.8	E358	G356-E358 PolarHBondContact O-N 3.49Å
357	D	42.9	Very low	43.8	Very low	168 Å²	168	113.9 Å²	113.9	90%	0.898	63%	0.628	S	S	*	*			trans	-60.2	88.9	172.6	-72.4	-52.3	0	0	0	112.2
358	E	37.7	Very low	43.5	Very low	82 Å²	82	115 Å²	115	38%	0.383	62%	0.62	S	S	.	*			trans	-100.2	106.8	155	-68.7	-135.5	135.5	0	0	108.9	G356	G356-E358 PolarHBondContact O-N 3.49Å
359	T	48.7	Very low	43.5	Very low	46 Å²	46	117 Å²	117	28%	0.282	62%	0.622	S	S	.	*			trans	-50.6	141.3	172.5	52.9	0	0	0	0	109.9	L361 K362 R363	T359-L361 PolarHBondContact O-N 3.17Å; T359-K362 WeakPolarHBondContact O-CA 3.47Å; T359-K362 WeakPolarHBondContact O-CB 3.32Å; T359-K362 PolarHBondContact O-N 3.47Å; T359-K362 PolarHBondContact OG1-N 3.22Å; T359-R363 PolarHBondContact O-N 3.3Å
360	P	50.4	Low	43.6	Very low	86 Å²	86	113.8 Å²	113.8	56%	0.558	60%	0.602	S	S	*	*	H	α-helix	trans	-53.4	-29.7	177.7	19.1	-30.9	0	0	0	112.6	R363 L364	P360-R363 WeakPolarHBondContact O-CB 3.47Å; P360-R363 PolarHBondContact O-N 3.19Å; P360-L364 PolarHBondContact O-N 3.33Å
361	L	45.8	Very low	43.4	Very low	64 Å²	64	117 Å²	117	34%	0.335	60%	0.604	S	S	.	*	H	α-helix	trans	-60	-41.4	170.3	-124.5	99.7	0	0	0	114.2	E91 T359 R363 L364 Q365	E91-L361 WeakPolarHBondContact OE1-CD1 3.43Å; T359-L361 PolarHBondContact O-N 3.17Å; L361-R363 VanDerWaalsContact C-N 3.28Å; L361-R363 PolarHBondContact O-N 2.89Å; L361-L364 PolarHBondContact O-N 3.21Å; L361-Q365 WeakPolarHBondContact O-CB 3.41Å; L361-Q365 PolarHBondContact O-N 3.38Å
362	K	48.2	Very low	43.5	Very low	111 Å²	111	116.3 Å²	116.3	48%	0.483	61%	0.606	S	S	.	*	H	α-helix	trans	-65.8	-35.8	176.1	-93.6	-175.2	170.1	-173.4	0	110.9	T359 Q365 Q366	T359-K362 WeakPolarHBondContact O-CA 3.47Å; T359-K362 WeakPolarHBondContact O-CB 3.32Å; T359-K362 PolarHBondContact O-N 3.47Å; T359-K362 PolarHBondContact OG1-N 3.22Å; K362-Q365 PolarHBondContact O-N 3.28Å; K362-Q366 VanDerWaalsContact O-CB 3.23Å; K362-Q366 WeakPolarHBondContact O-CB 3.4Å; K362-Q366 PolarHBondContact O-N 3.27Å
363	R	54.1	Low	43.6	Very low	99 Å²	99	113.2 Å²	113.2	37%	0.374	60%	0.599	S	S	.	*	H	α-helix	trans	-68	-39.1	178.8	-136.9	-179.1	-66	164.3	-6.7	112.2	T359 P360 L361 Q367 E391	T359-R363 PolarHBondContact O-N 3.3Å; P360-R363 WeakPolarHBondContact O-CB 3.47Å; P360-R363 PolarHBondContact O-N 3.19Å; L361-R363 VanDerWaalsContact C-N 3.28Å; L361-R363 PolarHBondContact O-N 2.89Å; R363-Q367 PolarHBondContact O-N 2.89Å; R363-E391 IonicContact CZ-OE1 3.65Å; R363-E391 IonicContact NH1-OE1 3.83Å; R363-E391 PolarHBondContact NH1-OE1 3.31Å; R363-E391 IonicContact NH2-OE1 3.73Å
364	L	44.1	Very low	43.8	Very low	91 Å²	91	108.9 Å²	108.9	48%	0.476	60%	0.6	S	S	.	*	H	α-helix	trans	-72	-39.7	173.1	-98.6	151	0	0	0	112.4	P360 L361 Q367 Q368	P360-L364 PolarHBondContact O-N 3.33Å; L361-L364 PolarHBondContact O-N 3.21Å; L364-Q367 VanDerWaalsContact O-CB 3.27Å; L364-Q367 WeakPolarHBondContact O-CB 3.33Å; L364-Q367 PolarHBondContact O-N 3.16Å; L364-Q368 PolarHBondContact O-N 3.31Å
365	Q	45.1	Very low	44.5	Very low	105 Å²	105	110.3 Å²	110.3	49%	0.491	60%	0.599	S	S	.	*	H	α-helix	trans	-70.8	-33	179.3	-161.1	164.8	17.5	0	0	112.2	L361 K362 Q367 Q368 Q369	L361-Q365 WeakPolarHBondContact O-CB 3.41Å; L361-Q365 PolarHBondContact O-N 3.38Å; K362-Q365 PolarHBondContact O-N 3.28Å; Q365-Q367 VanDerWaalsContact C-N 3.29Å; Q365-Q368 PolarHBondContact O-N 3.04Å; Q365-Q369 PolarHBondContact O-N 3.47Å
366	Q	43.8	Very low	45.9	Very low	87 Å²	87	112.5 Å²	112.5	41%	0.407	60%	0.596	S	S	.	*	H	α-helix	trans	-68.9	-28.9	171.7	-164	168.6	45	0	0	111.9	K362 Q368 Q369 E370	K362-Q366 VanDerWaalsContact O-CB 3.23Å; K362-Q366 WeakPolarHBondContact O-CB 3.4Å; K362-Q366 PolarHBondContact O-N 3.27Å; Q366-Q368 VanDerWaalsContact C-N 3.32Å; Q366-Q368 PolarHBondContact O-N 2.92Å; Q366-Q369 PolarHBondContact O-N 2.89Å; Q366-Q369 VanDerWaalsContact O-N 3.15Å; Q366-E370 PolarHBondContact O-N 3Å
367	Q	51.3	Low	46.8	Very low	78 Å²	78	117.2 Å²	117.2	36%	0.364	60%	0.601	S	S	.	*	H	α-helix	trans	-68.2	-29.4	176.2	-152.6	170.2	6.7	0	0	112.9	R363 L364 Q365	R363-Q367 PolarHBondContact O-N 2.89Å; L364-Q367 VanDerWaalsContact O-CB 3.27Å; L364-Q367 WeakPolarHBondContact O-CB 3.33Å; L364-Q367 PolarHBondContact O-N 3.16Å; Q365-Q367 VanDerWaalsContact C-N 3.29Å
368	Q	46	Very low	47.9	Very low	142 Å²	142	111.9 Å²	111.9	66%	0.664	58%	0.577	S	S	*	*	H	α-helix	trans	-80.7	-23.3	171.1	-71.6	-179.7	-11.1	0	0	112.8	L364 Q365 Q366	L364-Q368 PolarHBondContact O-N 3.31Å; Q365-Q368 PolarHBondContact O-N 3.04Å; Q366-Q368 VanDerWaalsContact C-N 3.32Å; Q366-Q368 PolarHBondContact O-N 2.92Å
369	Q	39.6	Very low	49.7	Very low	163 Å²	163	116.9 Å²	116.9	76%	0.762	60%	0.603	S	S	*	*	H	α-helix	trans	-88.4	-15.5	-178.7	-152.6	166.2	17.6	0	0	113.3	Q365 Q366	Q365-Q369 PolarHBondContact O-N 3.47Å; Q366-Q369 PolarHBondContact O-N 2.89Å; Q366-Q369 VanDerWaalsContact O-N 3.15Å
370	E	43.1	Very low	50.7	Low	99 Å²	99	120 Å²	120	46%	0.463	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-91.2	3	179.8	-81.2	-173.6	167.2	0	0	115.1	Q366 G372	Q366-E370 PolarHBondContact O-N 3Å; E370-G372 PolarHBondContact O-N 2.91Å; E370-G372 VanDerWaalsContact O-N 3.16Å
371	E	42.5	Very low	51.5	Low	182 Å²	182	119.6 Å²	119.6	85%	0.85	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-68.9	-9.7	173.1	-69	-163.9	153.3	0	0	113.3
372	G	44.2	Very low	52.9	Low	75 Å²	75	120.3 Å²	120.3	77%	0.773	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-99.8	-0.3	-178.5	0	0	0	0	0	116.8	E370	E370-G372 PolarHBondContact O-N 2.91Å; E370-G372 VanDerWaalsContact O-N 3.16Å
373	K	43.2	Very low	54	Low	179 Å²	179	122.7 Å²	122.7	78%	0.778	62%	0.619	S	S	*	*	S	Bend	trans	-121	133	178.1	-76.1	-179.1	-179.7	175.4	0	110.4	L375	K373-L375 PolarHBondContact O-N 3.24Å
374	A	43.7	Very low	54.8	Low	102 Å²	102	120 Å²	120	84%	0.843	61%	0.612	S	S	*	*			trans	-20.8	117	-176.8	0	0	0	0	0	114.4	E376	A374-E376 PolarHBondContact O-N 3.24Å
375	L	52.3	Low	56	Low	163 Å²	163	116.1 Å²	116.1	85%	0.853	59%	0.592	S	S	*	*			trans	-29.7	88.2	177.1	-83.9	134.1	0	0	0	113.8	K373 Q377	K373-L375 PolarHBondContact O-N 3.24Å; L375-Q377 PolarHBondContact O-N 3.22Å
376	E	58.9	Low	57	Low	177 Å²	177	114.3 Å²	114.3	83%	0.827	59%	0.585	S	S	*	*			trans	-74.7	86.9	161.7	-170	173.9	-179.3	0	0	106.8	A374 S378	A374-E376 PolarHBondContact O-N 3.24Å; E376-S378 PolarHBondContact O-N 3.16Å
377	Q	58	Low	57.8	Low	163 Å²	163	112.4 Å²	112.4	76%	0.762	58%	0.581	S	S	*	*			trans	-74.5	94.3	-177.9	-158.7	167.4	-0.2	0	0	108.8	L375 M379	L375-Q377 PolarHBondContact O-N 3.22Å; Q377-M379 PolarHBondContact O-N 2.93Å
378	S	64.5	Low	58.3	Low	56 Å²	56	109.8 Å²	109.8	39%	0.392	58%	0.576	S	S	.	*			trans	-60.2	121.7	177.7	58.5	0	0	0	0	110	E376 Y380	E376-S378 PolarHBondContact O-N 3.16Å; S378-Y380 PolarHBondContact O-N 3Å; S378-Y380 PolarHBondContact OG-O 3.04Å; S378-Y380 VanDerWaalsContact OG-O 3.09Å
379	M	75.4	Confident	58.7	Low	187 Å²	187	105.4 Å²	105.4	92%	0.921	56%	0.563	S	S	*	*	S	Bend	trans	-65.6	1.2	178.1	-67.6	-64.3	-67.1	0	0	114.1	Q377	Q377-M379 PolarHBondContact O-N 2.93Å
380	Y	70.1	Confident	59.6	Low	110 Å²	110	100.1 Å²	100.1	43%	0.431	55%	0.545	S	S	.	.	S	Bend	trans	-134.7	151.6	178.6	58.2	-92.7	0	0	0	110.7	S378 K382 L385 F394	S378-Y380 PolarHBondContact O-N 3Å; S378-Y380 PolarHBondContact OG-O 3.04Å; S378-Y380 VanDerWaalsContact OG-O 3.09Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 HydrophobicContact CD2-CB 4.43Å; Y380-K382 HydrophobicContact CE2-CB 4.16Å; Y380-K382 HydrophobicContact CE2-CG 4.37Å; Y380-K382 PolarHBondContact O-N 3.19Å; Y380-L385 HydrophobicContact CD2-CD1 3.39Å; Y380-L385 HydrophobicContact CE2-CD1 4.14Å; Y380-L385 HydrophobicContact CG-CD1 4.08Å; Y380-F394 HydrophobicContact CD1-CZ 4.3Å; Y380-F394 HydrophobicContact CD2-CE1 4.32Å; Y380-F394 HydrophobicContact CD2-CZ 4.24Å; Y380-F394 AromaticContact CG-CE1 3.97Å; Y380-F394 HydrophobicContact CG-CE1 3.97Å; Y380-F394 HydrophobicContact CG-CZ 4.01Å
381	C	68	Low	61	Low	78 Å²	78	100.7 Å²	100.7	53%	0.527	55%	0.547	S	S	.	.			trans	-70.5	85.4	178.1	-67.5	0	0	0	0	111	K383 L384 L385	C381-K383 PolarHBondContact O-N 3.4Å; C381-L384 HydrophobicContact CB-CB 4.04Å; C381-L384 HydrophobicContact CB-CD1 3.74Å; C381-L384 HydrophobicContact CB-CG 3.95Å; C381-L384 PolarHBondContact O-N 2.93Å; C381-L385 PolarHBondContact O-N 3.37Å
382	K	75.3	Confident	62.1	Low	80 Å²	80	93 Å²	93	35%	0.348	51%	0.511	S	S	.	.	H	α-helix	trans	-52.6	-38.6	179.3	-168.7	176.2	-179.2	-177.2	0	112	Y380 L384 L385 L386	Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 HydrophobicContact CD2-CB 4.43Å; Y380-K382 HydrophobicContact CE2-CB 4.16Å; Y380-K382 HydrophobicContact CE2-CG 4.37Å; Y380-K382 PolarHBondContact O-N 3.19Å; K382-L384 PolarHBondContact O-N 2.9Å; K382-L385 PolarHBondContact O-N 3.32Å; K382-L386 HydrophobicContact CD-CD1 4.16Å; K382-L386 HydrophobicContact CG-CD1 3.48Å; K382-L386 VanDerWaalsContact CG-CD1 3.48Å; K382-L386 HydrophobicContact CG-CG 4.25Å; K382-L386 WeakPolarHBondContact O-CB 3.49Å; K382-L386 PolarHBondContact O-N 3.47Å
383	K	70.3	Confident	63.8	Low	161 Å²	161	93 Å²	93	70%	0.7	50%	0.498	S	S	*	.	H	α-helix	trans	-59.3	-38.3	173.6	-77.9	-171.7	176.9	-178.3	0	112.9	C381 S387	C381-K383 PolarHBondContact O-N 3.4Å; K383-S387 WeakPolarHBondContact O-CB 3.39Å; K383-S387 PolarHBondContact O-N 3.4Å; K383-S387 VanDerWaalsContact O-N 3.08Å; K383-S387 PolarHBondContact O-OG 2.91Å
384	L	71.8	Confident	65.4	Low	41 Å²	41	90.4 Å²	90.4	22%	0.215	49%	0.487	C	S	.	.	H	α-helix	trans	-78.2	-29.1	-179.6	-67.3	175.6	0	0	0	113.2	R55 C381 K382 L397	R55-L384 HydrophobicContact CB-CD2 4.13Å; R55-L384 WeakPolarHBondContact CD-O 3.44Å; R55-L384 PolarHBondContact NE-O 3.29Å; R55-L384 WeakPolarHBondContact O-CD2 3.36Å; C381-L384 HydrophobicContact CB-CB 4.04Å; C381-L384 HydrophobicContact CB-CD1 3.74Å; C381-L384 HydrophobicContact CB-CG 3.95Å; C381-L384 PolarHBondContact O-N 2.93Å; K382-L384 PolarHBondContact O-N 2.9Å; L384-L397 HydrophobicContact CB-CD1 4.04Å; L384-L397 HydrophobicContact CB-CD2 4.24Å
385	L	68.1	Low	67.1	Low	11 Å²	11	90.9 Å²	90.9	6%	0.058	47%	0.472	C	S	.	.	H	α-helix	trans	-85	-37.8	-179.4	-73.7	144.1	0	0	0	112.5	Y380 C381 K382 F392 F394 L397	Y380-L385 HydrophobicContact CD2-CD1 3.39Å; Y380-L385 HydrophobicContact CE2-CD1 4.14Å; Y380-L385 HydrophobicContact CG-CD1 4.08Å; C381-L385 PolarHBondContact O-N 3.37Å; K382-L385 PolarHBondContact O-N 3.32Å; L385-F392 WeakPolarHBondContact CD2-O 3.16Å; L385-F392 PolarHBondContact O-N 3.47Å; L385-F394 HydrophobicContact CD1-CD1 3.85Å; L385-F394 HydrophobicContact CD1-CE1 3.29Å; L385-F394 HydrophobicContact CD1-CZ 3.75Å; L385-F394 HydrophobicContact CD2-CD1 3.82Å; L385-F394 HydrophobicContact CD2-CD2 4.33Å; L385-F394 HydrophobicContact CD2-CE1 4Å; L385-F394 HydrophobicContact CD2-CE2 4.47Å; L385-F394 HydrophobicContact CD2-CG 4.01Å; L385-F394 HydrophobicContact CD2-CZ 4.31Å; L385-F394 HydrophobicContact CG-CD1 4.46Å; L385-F394 HydrophobicContact CG-CE1 4.29Å; L385-L397 HydrophobicContact CD1-CD1 4.5Å; L385-L397 HydrophobicContact CD2-CD1 3.65Å; L385-L397 HydrophobicContact CG-CD1 3.61Å
386	L	66.6	Low	68.4	Low	67 Å²	67	86.7 Å²	86.7	35%	0.351	45%	0.448	S	S	.	.	H	α-helix	trans	-106.7	-3	-172.6	-58.1	178.6	0	0	0	113.8	K382 E391	K382-L386 HydrophobicContact CD-CD1 4.16Å; K382-L386 HydrophobicContact CG-CD1 3.48Å; K382-L386 VanDerWaalsContact CG-CD1 3.48Å; K382-L386 HydrophobicContact CG-CG 4.25Å; K382-L386 WeakPolarHBondContact O-CB 3.49Å; K382-L386 PolarHBondContact O-N 3.47Å; L386-E391 HydrophobicContact CD2-CG 4.16Å
387	S	61.8	Low	69.3	Low	46 Å²	46	79 Å²	79	32%	0.322	41%	0.412	S	S	.	.			trans	-77.1	136.2	167.9	61.5	0	0	0	0	110.3	R55 K383	R55-S387 PolarHBondContact NE-O 3.27Å; R55-S387 PolarHBondContact NE-OG 3.35Å; R55-S387 PolarHBondContact NH2-O 3.45Å; K383-S387 WeakPolarHBondContact O-CB 3.39Å; K383-S387 PolarHBondContact O-N 3.4Å; K383-S387 VanDerWaalsContact O-N 3.08Å; K383-S387 PolarHBondContact O-OG 2.91Å
388	G	60.6	Low	70.3	Confident	24 Å²	24	78.7 Å²	78.7	25%	0.247	40%	0.404	C	S	.	.	S	Bend	trans	139.2	170.9	177.6	0	0	0	0	0	115.2	R92 S390	R92-G388 VanDerWaalsContact CZ-CA 3.46Å; G388-S390 VanDerWaalsContact C-N 3.25Å
389	A	54.2	Low	71.1	Confident	49 Å²	49	77.9 Å²	77.9	41%	0.405	40%	0.401	S	S	.	.	S	Bend	trans	-77.1	-17.1	156.5	0	0	0	0	0	111.6	E51	E51-A389 PolarHBondContact OE1-N 2.95Å
390	S	59.5	Low	71.4	Confident	53 Å²	53	70.3 Å²	70.3	37%	0.371	36%	0.363	S	S	.	.	S	Bend	trans	-133.6	144.4	172.3	68.5	0	0	0	0	111	R55 G388	R55-S390 PolarHBondContact NH2-O 3.49Å; G388-S390 VanDerWaalsContact C-N 3.25Å
391	E	72.3	Confident	71.9	Confident	111 Å²	111	71.7 Å²	71.7	52%	0.519	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-74.7	140.9	174.2	-63.4	172.5	-172	0	0	109.6	R363 L386	R363-E391 IonicContact CZ-OE1 3.65Å; R363-E391 IonicContact NH1-OE1 3.83Å; R363-E391 PolarHBondContact NH1-OE1 3.31Å; R363-E391 IonicContact NH2-OE1 3.73Å; L386-E391 HydrophobicContact CD2-CG 4.16Å
392	F	66.1	Low	72.7	Confident	21 Å²	21	74.9 Å²	74.9	9%	0.092	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-96.1	146	172.5	-95.8	-140.5	0	0	0	110.3	R55 L385 E396 L397	R55-F392 VanDerWaalsContact NH1-CE1 3.29Å; L385-F392 WeakPolarHBondContact CD2-O 3.16Å; L385-F392 PolarHBondContact O-N 3.47Å; F392-E396 HydrophobicContact CD1-CB 3.87Å; F392-E396 HydrophobicContact CE1-CB 4.3Å; F392-E396 HydrophobicContact CG-CB 4.37Å; F392-L397 HydrophobicContact CB-CG 4.31Å; F392-L397 HydrophobicContact CD1-CD2 4.14Å; F392-L397 HydrophobicContact CD1-CG 4.23Å
393	C	79.6	Confident	73.1	Confident	74 Å²	74	78 Å²	78	50%	0.5	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-80.5	154.9	169.7	-47.5	0	0	0	0	109.8	E395 E396 L397	C393-E395 PolarHBondContact O-N 2.98Å; C393-E396 HydrophobicContact CB-CB 4.43Å; C393-E396 HydrophobicContact CB-CG 4.08Å; C393-E396 WeakPolarHBondContact CB-OE2 3.36Å; C393-E396 PolarHBondContact N-OE2 3.22Å; C393-E396 PolarHBondContact O-N 3.29Å; C393-E396 VanDerWaalsContact O-N 3.11Å; C393-E396 PolarHBondContact SG-OE2 3.38Å; C393-L397 PolarHBondContact O-N 3.38Å
394	F	77	Confident	73.5	Confident	125 Å²	125	74 Å²	74	55%	0.548	36%	0.363	S	S	.	.	H	α-helix	trans	-54.9	-37.1	172.8	-68.4	-78.6	0	0	0	112.8	Y380 L385 R398	Y380-F394 HydrophobicContact CD1-CZ 4.3Å; Y380-F394 HydrophobicContact CD2-CE1 4.32Å; Y380-F394 HydrophobicContact CD2-CZ 4.24Å; Y380-F394 AromaticContact CG-CE1 3.97Å; Y380-F394 HydrophobicContact CG-CE1 3.97Å; Y380-F394 HydrophobicContact CG-CZ 4.01Å; L385-F394 HydrophobicContact CD1-CD1 3.85Å; L385-F394 HydrophobicContact CD1-CE1 3.29Å; L385-F394 HydrophobicContact CD1-CZ 3.75Å; L385-F394 HydrophobicContact CD2-CD1 3.82Å; L385-F394 HydrophobicContact CD2-CD2 4.33Å; L385-F394 HydrophobicContact CD2-CE1 4Å; L385-F394 HydrophobicContact CD2-CE2 4.47Å; L385-F394 HydrophobicContact CD2-CG 4.01Å; L385-F394 HydrophobicContact CD2-CZ 4.31Å; L385-F394 HydrophobicContact CG-CD1 4.46Å; L385-F394 HydrophobicContact CG-CE1 4.29Å; F394-R398 PolarHBondContact O-N 3.14Å; F394-R398 VanDerWaalsContact O-N 3.12Å
395	E	78.7	Confident	74.1	Confident	112 Å²	112	78.2 Å²	78.2	52%	0.523	38%	0.38	S	S	.	.	H	α-helix	trans	-72.8	-32.1	-179.3	-158.3	58.8	-146.9	0	0	112.2	C393 R398 A399	C393-E395 PolarHBondContact O-N 2.98Å; E395-R398 PolarHBondContact O-N 3.15Å; E395-R398 IonicContact OE1-NH1 2.94Å; E395-R398 IonicContact OE2-CZ 2.79Å; E395-R398 IonicContact OE2-NH1 3.68Å; E395-R398 PolarHBondContact OE2-NH1 3.08Å; E395-A399 VanDerWaalsContact O-CB 3.29Å; E395-A399 WeakPolarHBondContact O-CB 3.38Å; E395-A399 PolarHBondContact O-N 3.22Å
396	E	79	Confident	74.8	Confident	75 Å²	75	82.2 Å²	82.2	35%	0.35	40%	0.397	S	S	.	.	H	α-helix	trans	-67.1	-42.4	175.7	-69.7	175.6	128.7	0	0	111.2	F392 C393 R398 A399 E400	F392-E396 HydrophobicContact CD1-CB 3.87Å; F392-E396 HydrophobicContact CE1-CB 4.3Å; F392-E396 HydrophobicContact CG-CB 4.37Å; C393-E396 HydrophobicContact CB-CB 4.43Å; C393-E396 HydrophobicContact CB-CG 4.08Å; C393-E396 WeakPolarHBondContact CB-OE2 3.36Å; C393-E396 PolarHBondContact N-OE2 3.22Å; C393-E396 PolarHBondContact O-N 3.29Å; C393-E396 VanDerWaalsContact O-N 3.11Å; C393-E396 PolarHBondContact SG-OE2 3.38Å; E396-R398 VanDerWaalsContact C-N 3.32Å; E396-R398 PolarHBondContact O-N 3.28Å; E396-A399 PolarHBondContact O-N 3.43Å; E396-E400 PolarHBondContact O-N 2.97Å
397	L	78.2	Confident	75.4	Confident	15 Å²	15	81.8 Å²	81.8	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-62.9	-39.3	173.7	-75.9	170.9	0	0	0	112.3	L384 L385 F392 C393 E400 R401	L384-L397 HydrophobicContact CB-CD1 4.04Å; L384-L397 HydrophobicContact CB-CD2 4.24Å; L385-L397 HydrophobicContact CD1-CD1 4.5Å; L385-L397 HydrophobicContact CD2-CD1 3.65Å; L385-L397 HydrophobicContact CG-CD1 3.61Å; F392-L397 HydrophobicContact CB-CG 4.31Å; F392-L397 HydrophobicContact CD1-CD2 4.14Å; F392-L397 HydrophobicContact CD1-CG 4.23Å; C393-L397 PolarHBondContact O-N 3.38Å; L397-E400 PolarHBondContact O-N 3.13Å; L397-R401 WeakPolarHBondContact O-CG 3.37Å; L397-R401 PolarHBondContact O-N 3.12Å
398	R	80.4	Confident	76.1	Confident	157 Å²	157	86 Å²	86	59%	0.592	42%	0.421	S	S	*	.	H	α-helix	trans	-67.9	-43.7	177.6	-170.7	-175.8	-67.4	159	-5.3	111.2	F394 E395 E396 E400 R401 Y402	F394-R398 PolarHBondContact O-N 3.14Å; F394-R398 VanDerWaalsContact O-N 3.12Å; E395-R398 PolarHBondContact O-N 3.15Å; E395-R398 IonicContact OE1-NH1 2.94Å; E395-R398 IonicContact OE2-CZ 2.79Å; E395-R398 IonicContact OE2-NH1 3.68Å; E395-R398 PolarHBondContact OE2-NH1 3.08Å; E396-R398 VanDerWaalsContact C-N 3.32Å; E396-R398 PolarHBondContact O-N 3.28Å; R398-E400 VanDerWaalsContact C-N 3.3Å; R398-E400 PolarHBondContact O-N 3.24Å; R398-R401 PolarHBondContact O-N 3.32Å; R398-Y402 WeakPolarHBondContact O-CB 3.47Å; R398-Y402 PolarHBondContact O-N 3.18Å
399	A	81.2	Confident	76.9	Confident	38 Å²	38	89.2 Å²	89.2	31%	0.314	43%	0.429	S	S	.	.	H	α-helix	trans	-58.9	-42.2	176.2	0	0	0	0	0	111.1	E395 E396 Y402 R403	E395-A399 VanDerWaalsContact O-CB 3.29Å; E395-A399 WeakPolarHBondContact O-CB 3.38Å; E395-A399 PolarHBondContact O-N 3.22Å; E396-A399 PolarHBondContact O-N 3.43Å; A399-Y402 WeakPolarHBondContact O-CB 3.34Å; A399-Y402 PolarHBondContact O-N 2.81Å; A399-R403 WeakPolarHBondContact O-CG 3.45Å; A399-R403 PolarHBondContact O-N 3.22Å
400	E	80.4	Confident	77.7	Confident	29 Å²	29	90.6 Å²	90.6	14%	0.136	44%	0.436	C	S	.	.	H	α-helix	trans	-66.8	-44.5	178.4	-79.7	-66.1	-166.6	0	0	114.1	S52 V56 E396 L397 R398 Y402 R403 Q404	S52-E400 WeakPolarHBondContact CB-OE1 3.15Å; S52-E400 PolarHBondContact OG-OE1 3.44Å; V56-E400 HydrophobicContact CG2-CB 4.32Å; E396-E400 PolarHBondContact O-N 2.97Å; L397-E400 PolarHBondContact O-N 3.13Å; R398-E400 VanDerWaalsContact C-N 3.3Å; R398-E400 PolarHBondContact O-N 3.24Å; E400-Y402 PolarHBondContact O-N 2.88Å; E400-R403 PolarHBondContact O-N 3.35Å; E400-R403 VanDerWaalsContact O-N 3.11Å; E400-R403 IonicContact OE1-CZ 3.75Å; E400-R403 IonicContact OE1-NE 3.14Å; E400-R403 IonicContact OE1-NH2 3.36Å; E400-R403 PolarHBondContact OE1-NH2 2.82Å; E400-R403 IonicContact OE2-CZ 2.83Å; E400-R403 IonicContact OE2-NE 3.39Å; E400-R403 PolarHBondContact OE2-NE 3.41Å; E400-R403 IonicContact OE2-NH2 3.69Å; E400-R403 PolarHBondContact OE2-NH2 3.41Å; E400-R403 VanDerWaalsContact OE2-NH2 3.14Å; E400-Q404 PolarHBondContact O-N 3.48Å
401	R	81.9	Confident	77.5	Confident	138 Å²	138	90.6 Å²	90.6	52%	0.521	44%	0.444	S	S	.	.	H	α-helix	trans	-60.4	-37.2	174.7	-70	178	-175.6	168.4	0.4	111.7	L397 R398 K405	L397-R401 WeakPolarHBondContact O-CG 3.37Å; L397-R401 PolarHBondContact O-N 3.12Å; R398-R401 PolarHBondContact O-N 3.32Å; R401-K405 WeakPolarHBondContact O-CB 3.36Å; R401-K405 PolarHBondContact O-N 3.02Å
402	Y	83.3	Confident	76.4	Confident	145 Å²	145	87.5 Å²	87.5	57%	0.569	44%	0.442	S	S	*	.	H	α-helix	trans	-64.8	-43.9	174.2	178.8	-98.6	0	0	0	111.9	R398 A399 E400 K405 K406	R398-Y402 WeakPolarHBondContact O-CB 3.47Å; R398-Y402 PolarHBondContact O-N 3.18Å; A399-Y402 WeakPolarHBondContact O-CB 3.34Å; A399-Y402 PolarHBondContact O-N 2.81Å; E400-Y402 PolarHBondContact O-N 2.88Å; Y402-K405 PolarHBondContact O-N 3.17Å; Y402-K406 HydrophobicContact CD1-CG 4.37Å; Y402-K406 HydrophobicContact CE1-CG 3.85Å; Y402-K406 HydrophobicContact CE2-CG 4.23Å; Y402-K406 WeakPolarHBondContact O-CB 3.4Å; Y402-K406 PolarHBondContact O-N 3.19Å; Y402-K406 VanDerWaalsContact OH-CE 3.24Å; Y402-K406 WeakPolarHBondContact OH-CE 3.4Å
403	R	83.9	Confident	75.6	Confident	145 Å²	145	90.5 Å²	90.5	55%	0.547	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-45.2	175.8	-74.6	-166	-73.2	-135.8	7.2	112	A399 E400 K406 A407	A399-R403 WeakPolarHBondContact O-CG 3.45Å; A399-R403 PolarHBondContact O-N 3.22Å; E400-R403 PolarHBondContact O-N 3.35Å; E400-R403 VanDerWaalsContact O-N 3.11Å; E400-R403 IonicContact OE1-CZ 3.75Å; E400-R403 IonicContact OE1-NE 3.14Å; E400-R403 IonicContact OE1-NH2 3.36Å; E400-R403 PolarHBondContact OE1-NH2 2.82Å; E400-R403 IonicContact OE2-CZ 2.83Å; E400-R403 IonicContact OE2-NE 3.39Å; E400-R403 PolarHBondContact OE2-NE 3.41Å; E400-R403 IonicContact OE2-NH2 3.69Å; E400-R403 PolarHBondContact OE2-NH2 3.41Å; E400-R403 VanDerWaalsContact OE2-NH2 3.14Å; R403-K406 PolarHBondContact O-N 3.17Å; R403-A407 WeakPolarHBondContact O-CB 3.48Å; R403-A407 PolarHBondContact O-N 3.42Å
404	Q	79.5	Confident	73.9	Confident	79 Å²	79	90.1 Å²	90.1	37%	0.369	47%	0.474	S	S	.	.	H	α-helix	trans	-61.4	-45.8	175.3	-75.5	-169.6	-7.9	0	0	112.2	V56 E400 K406 A407 L408	V56-Q404 PolarHBondContact O-NE2 3.38Å; E400-Q404 PolarHBondContact O-N 3.48Å; Q404-K406 VanDerWaalsContact C-N 3.3Å; Q404-K406 PolarHBondContact O-N 3.06Å; Q404-A407 PolarHBondContact O-N 3.48Å; Q404-L408 PolarHBondContact O-N 2.86Å
405	K	83.1	Confident	72.2	Confident	129 Å²	129	93.1 Å²	93.1	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-59	-43.7	176.2	-175.4	177.2	177.4	179.6	0	111.2	R401 Y402 L408 E409	R401-K405 WeakPolarHBondContact O-CB 3.36Å; R401-K405 PolarHBondContact O-N 3.02Å; Y402-K405 PolarHBondContact O-N 3.17Å; K405-L408 PolarHBondContact O-N 2.92Å; K405-E409 WeakPolarHBondContact CE-OE1 3.33Å; K405-E409 WeakPolarHBondContact O-CB 3.38Å; K405-E409 WeakPolarHBondContact O-CG 3.49Å; K405-E409 PolarHBondContact O-N 3.48Å
406	K	83.4	Confident	70.4	Confident	95 Å²	95	96.2 Å²	96.2	41%	0.413	50%	0.502	S	S	.	.	H	α-helix	trans	-64.5	-40.5	175.9	-83.7	-73.9	168.3	-144.2	0	112.7	Y402 R403 Q404 E409 S410	Y402-K406 HydrophobicContact CD1-CG 4.37Å; Y402-K406 HydrophobicContact CE1-CG 3.85Å; Y402-K406 HydrophobicContact CE2-CG 4.23Å; Y402-K406 WeakPolarHBondContact O-CB 3.4Å; Y402-K406 PolarHBondContact O-N 3.19Å; Y402-K406 VanDerWaalsContact OH-CE 3.24Å; Y402-K406 WeakPolarHBondContact OH-CE 3.4Å; R403-K406 PolarHBondContact O-N 3.17Å; Q404-K406 VanDerWaalsContact C-N 3.3Å; Q404-K406 PolarHBondContact O-N 3.06Å; K406-E409 IonicContact NZ-OE2 3.32Å; K406-E409 PolarHBondContact NZ-OE2 2.76Å; K406-E409 PolarHBondContact O-N 2.8Å; K406-S410 WeakPolarHBondContact O-CB 3.32Å; K406-S410 PolarHBondContact O-N 2.94Å; K406-S410 PolarHBondContact O-OG 3.08Å; K406-S410 VanDerWaalsContact O-OG 3.07Å
407	A	79.4	Confident	68.7	Low	58 Å²	58	101.4 Å²	101.4	48%	0.479	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-44.1	176.2	0	0	0	0	0	111.6	R403 Q404 S410 G411	R403-A407 WeakPolarHBondContact O-CB 3.48Å; R403-A407 PolarHBondContact O-N 3.42Å; Q404-A407 PolarHBondContact O-N 3.48Å; A407-S410 WeakPolarHBondContact CA-OG 2.98Å; A407-S410 PolarHBondContact O-N 3.09Å; A407-S410 PolarHBondContact O-OG 3.05Å; A407-G411 PolarHBondContact O-N 3.11Å
408	L	76.4	Confident	67	Low	135 Å²	135	110 Å²	110	71%	0.707	57%	0.565	S	S	*	*	H	α-helix	trans	-62	-44.3	173.8	-78.8	156	0	0	0	112.2	Q404 K405 G411 G412	Q404-L408 PolarHBondContact O-N 2.86Å; K405-L408 PolarHBondContact O-N 2.92Å; L408-G411 PolarHBondContact O-N 3.28Å; L408-G412 PolarHBondContact O-N 2.9Å
409	E	78.4	Confident	65.2	Low	90 Å²	90	107.2 Å²	107.2	42%	0.421	58%	0.576	S	S	.	*	H	α-helix	trans	-61.5	-43.6	175.6	-75.3	172.7	-175.1	0	0	111.8	K405 K406 G412 S413	K405-E409 WeakPolarHBondContact CE-OE1 3.33Å; K405-E409 WeakPolarHBondContact O-CB 3.38Å; K405-E409 WeakPolarHBondContact O-CG 3.49Å; K405-E409 PolarHBondContact O-N 3.48Å; K406-E409 IonicContact NZ-OE2 3.32Å; K406-E409 PolarHBondContact NZ-OE2 2.76Å; K406-E409 PolarHBondContact O-N 2.8Å; E409-G412 PolarHBondContact O-N 2.96Å; E409-S413 PolarHBondContact O-N 3.43Å
410	S	69.8	Low	63.6	Low	79 Å²	79	108.9 Å²	108.9	55%	0.552	60%	0.598	S	S	*	*	H	α-helix	trans	-72.5	-27.5	177.8	60.2	0	0	0	0	114	K406 A407 S413	K406-S410 WeakPolarHBondContact O-CB 3.32Å; K406-S410 PolarHBondContact O-N 2.94Å; K406-S410 PolarHBondContact O-OG 3.08Å; K406-S410 VanDerWaalsContact O-OG 3.07Å; A407-S410 WeakPolarHBondContact CA-OG 2.98Å; A407-S410 PolarHBondContact O-N 3.09Å; A407-S410 PolarHBondContact O-OG 3.05Å; S410-S413 PolarHBondContact O-OG 3.28Å
411	G	55.8	Low	61.9	Low	52 Å²	52	113.6 Å²	113.6	54%	0.536	63%	0.634	S	S	.	*	H	α-helix	trans	-79	-25.4	175.1	0	0	0	0	0	113.2	A407 L408	A407-G411 PolarHBondContact O-N 3.11Å; L408-G411 PolarHBondContact O-N 3.28Å
412	G	49.6	Very low	60.1	Low	46 Å²	46	110.7 Å²	110.7	47%	0.474	65%	0.646	S	S	.	*	H	α-helix	trans	-77.1	-32.4	175.9	0	0	0	0	0	114	L408 E409 G414	L408-G412 PolarHBondContact O-N 2.9Å; E409-G412 PolarHBondContact O-N 2.96Å; G412-G414 PolarHBondContact O-N 3.23Å
413	S	47.8	Very low	57.9	Low	84 Å²	84	111.9 Å²	111.9	59%	0.587	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-8	-178.2	57.8	0	0	0	0	114.8	E409 S410	E409-S413 PolarHBondContact O-N 3.43Å; S410-S413 PolarHBondContact O-OG 3.28Å
414	G	44.5	Very low	56.2	Low	66 Å²	66	110.2 Å²	110.2	68%	0.68	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-3.5	-180	0	0	0	0	0	115.6	G412	G412-G414 PolarHBondContact O-N 3.23Å
415	K	41.3	Very low	54.2	Low	188 Å²	188	117.9 Å²	117.9	82%	0.817	71%	0.713	S	S	*	*	S	Bend	trans	-108.6	-6.2	-176.9	-79.4	-171.8	175.8	179.2	0	115.5
416	E	41.9	Very low	52.8	Low	177 Å²	177	117.3 Å²	117.3	83%	0.827	72%	0.721	S	S	*	*	S	Bend	trans	-96.6	-7	178.6	-80.7	-176.1	154.6	0	0	114.7
417	E	43.3	Very low	51.2	Low	184 Å²	184	118.5 Å²	118.5	86%	0.86	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	4.6	-176.4	-107.2	-176.3	169.7	0	0	116
418	Q	42.6	Very low	49.6	Very low	195 Å²	195	121.8 Å²	121.8	91%	0.911	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	9.3	176.2	-81.4	-166.7	21.7	0	0	115.6
419	A	42.5	Very low	48	Very low	99 Å²	99	121.1 Å²	121.1	82%	0.818	75%	0.754	S	S	*	*	S	Bend	trans	-113.2	56.9	174	0	0	0	0	0	111
420	G	46.7	Very low	46.1	Very low	74 Å²	74	123 Å²	123	76%	0.763	78%	0.775	S	S	*	*			trans	-162.7	34.4	-172.5	0	0	0	0	0	116.4
421	S	45.5	Very low	44.5	Very low	128 Å²	128	125.9 Å²	125.9	90%	0.895	79%	0.789	S	S	*	*			trans	-150.4	67	168.5	57.2	0	0	0	0	112.2
422	G	42.7	Very low	43.7	Very low	76 Å²	76	131.2 Å²	131.2	78%	0.784	81%	0.808	S	S	*	*			trans	-138	91.4	163.7	0	0	0	0	0	109.4
423	L	36.8	Very low	43.3	Very low	170 Å²	170	137.8 Å²	137.8	89%	0.89	83%	0.833	S	S	*	*			trans	-120.6	146.7	162.3	-89	170.6	0	0	0	109.6
424	P	49.3	Very low	42.9	Very low	110 Å²	110	142.3 Å²	142.3	71%	0.714	85%	0.854	S	S	*	*			trans	-90.7	149.5	-161.9	36.5	-33.3	0	0	0	111.9
425	N	37.8	Very low	42.8	Very low	240 Å²	240	149.2 Å²	149.2	100%	1.283	87%	0.869	S	S	*	*			trans	-157.5	0	139	-119.3	-15.1	0	0	0	109.8

Retrieved 425 of 425 residues in 160.8 ms (Link to these results)

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