A0A3B3UCY1_9TELE Loading...

Recoverin 3

May be involved in the calcium-dependent regulation of rhodopsin phosphorylation. Binds three calcium ions.

AlphaFold DB , UniProt , Accession A0A3B3UCY1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 192 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	34.3	Very low	55.5	Low	247 Å²	247	98.1 Å²	98.1	100%	1.217	60%	0.602	S	S	*	*				0	97.9	0	-77.7	168.1	170	0	0	107.2
2	G	39.7	Very low	57.8	Low	73 Å²	73	103.2 Å²	103.2	75%	0.753	61%	0.614	S	S	*	*			trans	-80.8	116.6	-176.2	0	0	0	0	0	109.9	S4	G2-S4 PolarHBondContact O-N 2.88Å; G2-S4 VanDerWaalsContact O-N 3.14Å
3	N	37	Very low	59.6	Low	142 Å²	142	99.9 Å²	99.9	76%	0.759	59%	0.591	S	S	*	*			trans	-78.6	95.6	178.9	-151.7	39.1	0	0	0	108.3	K5	N3-K5 VanDerWaalsContact C-N 3.31Å; N3-K5 PolarHBondContact O-N 3.22Å
4	S	43	Very low	61.3	Low	111 Å²	111	93.2 Å²	93.2	78%	0.776	55%	0.551	S	S	*	*			trans	-70.2	84.9	176.4	-60.1	0	0	0	0	110.2	G2 S6	G2-S4 PolarHBondContact O-N 2.88Å; G2-S4 VanDerWaalsContact O-N 3.14Å; S4-S6 PolarHBondContact O-N 3.2Å
5	K	48.8	Very low	62.8	Low	113 Å²	113	95.5 Å²	95.5	49%	0.491	55%	0.554	S	S	.	*			trans	-72.4	-1.8	170	-78.1	-165	169.1	-157	0	113.7	N3 G7 V29 E33	N3-K5 VanDerWaalsContact C-N 3.31Å; N3-K5 PolarHBondContact O-N 3.22Å; K5-G7 PolarHBondContact O-N 3.17Å; K5-V29 HydrophobicContact CB-CG1 4.38Å; K5-E33 IonicContact NZ-OE1 3.32Å
6	S	48.4	Very low	64	Low	46 Å²	46	92.2 Å²	92.2	32%	0.322	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	17.3	-176.5	-41.1	0	0	0	0	115	S4 E25	S4-S6 PolarHBondContact O-N 3.2Å; S6-E25 PolarHBondContact OG-OE1 2.85Å
7	G	54	Low	65.1	Low	79 Å²	79	86.8 Å²	86.8	81%	0.814	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-15.2	177.8	0	0	0	0	0	114.7	K5	K5-G7 PolarHBondContact O-N 3.17Å
8	A	66.1	Low	66.1	Low	43 Å²	43	86.9 Å²	86.9	36%	0.355	50%	0.496	S	S	.	.	S	Bend	trans	-85.4	-34.5	-174.7	0	0	0	0	0	113.2	Y32	A8-Y32 VanDerWaalsContact C-CE1 3.5Å; A8-Y32 HydrophobicContact CB-CD1 3.88Å; A8-Y32 HydrophobicContact CB-CE1 3.87Å; A8-Y32 WeakPolarHBondContact O-CE1 3.31Å; A8-Y32 VanDerWaalsContact O-CZ 3.31Å; A8-Y32 PolarHBondContact O-OH 3.5Å
9	V	75.1	Confident	66.8	Low	5 Å²	5	90.2 Å²	90.2	3%	0.03	51%	0.51	C	S	.	.	S	Bend	trans	-110.2	135.2	178.1	-170.9	0	0	0	0	108.1	I13 L14 Y32	V9-I13 HydrophobicContact CG1-CB 3.9Å; V9-I13 HydrophobicContact CG1-CG2 3.64Å; V9-L14 HydrophobicContact CB-CD1 4.22Å; V9-L14 HydrophobicContact CB-CD2 4.06Å; V9-L14 HydrophobicContact CB-CG 3.89Å; V9-L14 HydrophobicContact CG1-CD2 3.94Å; V9-L14 HydrophobicContact CG1-CG 3.72Å; V9-Y32 VanDerWaalsContact CG2-CB 3.49Å; V9-Y32 HydrophobicContact CG2-CD1 3.44Å; V9-Y32 VanDerWaalsContact CG2-CD1 3.44Å; V9-Y32 HydrophobicContact CG2-CD2 3.93Å; V9-Y32 HydrophobicContact CG2-CE1 4.06Å; V9-Y32 HydrophobicContact CG2-CE2 4.49Å; V9-Y32 HydrophobicContact CG2-CG 3.34Å
10	S	82.1	Confident	67.2	Low	56 Å²	56	89.9 Å²	89.9	39%	0.392	51%	0.507	S	S	.	.			trans	-62.7	148.5	177.7	73.3	0	0	0	0	110.6	E12 I13 L14	S10-E12 PolarHBondContact O-N 2.73Å; S10-I13 PolarHBondContact O-N 2.82Å; S10-I13 WeakPolarHBondContact OG-CB 3.5Å; S10-I13 WeakPolarHBondContact OG-CD1 3.3Å; S10-I13 VanDerWaalsContact OG-CG1 3.22Å; S10-I13 WeakPolarHBondContact OG-CG1 3.47Å; S10-I13 PolarHBondContact OG-N 3.05Å; S10-L14 PolarHBondContact O-N 3.19Å
11	K	82.3	Confident	67.7	Low	164 Å²	164	86 Å²	86	71%	0.713	49%	0.486	S	S	*	.	H	α-helix	trans	-57.6	-37.8	177.4	-71.5	-174.4	177.9	-177.7	0	112.1	L14 E15	K11-L14 PolarHBondContact O-N 3.32Å; K11-E15 WeakPolarHBondContact O-CB 3.42Å; K11-E15 WeakPolarHBondContact O-CG 3.27Å; K11-E15 PolarHBondContact O-N 2.71Å
12	E	82.6	Confident	69.8	Low	159 Å²	159	80.8 Å²	80.8	74%	0.743	46%	0.456	S	S	*	.	H	α-helix	trans	-61.6	-47.6	177.8	-173.9	175.8	-170	0	0	111.9	S10 L14 E15 D16	S10-E12 PolarHBondContact O-N 2.73Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 2.97Å; E12-E15 PolarHBondContact O-N 3.16Å; E12-D16 WeakPolarHBondContact O-CB 3.4Å; E12-D16 PolarHBondContact O-N 3.18Å
13	I	81	Confident	71.8	Confident	61 Å²	61	78.9 Å²	78.9	31%	0.313	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-39.3	176.5	-68.1	170.1	0	0	0	110.7	V9 S10 L17 F83	V9-I13 HydrophobicContact CG1-CB 3.9Å; V9-I13 HydrophobicContact CG1-CG2 3.64Å; S10-I13 PolarHBondContact O-N 2.82Å; S10-I13 WeakPolarHBondContact OG-CB 3.5Å; S10-I13 WeakPolarHBondContact OG-CD1 3.3Å; S10-I13 VanDerWaalsContact OG-CG1 3.22Å; S10-I13 WeakPolarHBondContact OG-CG1 3.47Å; S10-I13 PolarHBondContact OG-N 3.05Å; I13-L17 HydrophobicContact CG2-CD1 3.72Å; I13-L17 HydrophobicContact CG2-CG 4.19Å; I13-L17 VanDerWaalsContact O-CB 3.3Å; I13-L17 WeakPolarHBondContact O-CB 3.42Å; I13-L17 VanDerWaalsContact O-CG 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 3.21Å; I13-F83 HydrophobicContact CG2-CD1 4.44Å
14	L	84.3	Confident	74	Confident	6 Å²	6	74.4 Å²	74.4	3%	0.031	41%	0.407	C	S	.	.	H	α-helix	trans	-64.3	-42.6	177.1	-76.2	172.1	0	0	0	112.5	V9 S10 K11 E12 K18 E25 I28 V29	V9-L14 HydrophobicContact CB-CD1 4.22Å; V9-L14 HydrophobicContact CB-CD2 4.06Å; V9-L14 HydrophobicContact CB-CG 3.89Å; V9-L14 HydrophobicContact CG1-CD2 3.94Å; V9-L14 HydrophobicContact CG1-CG 3.72Å; S10-L14 PolarHBondContact O-N 3.19Å; K11-L14 PolarHBondContact O-N 3.32Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 2.97Å; L14-K18 WeakPolarHBondContact O-CB 3.47Å; L14-K18 WeakPolarHBondContact O-CD 3.46Å; L14-K18 WeakPolarHBondContact O-CG 3.37Å; L14-K18 PolarHBondContact O-N 2.58Å; L14-E25 HydrophobicContact CD1-CG 4.37Å; L14-E25 HydrophobicContact CD2-CG 4.14Å; L14-I28 HydrophobicContact CD2-CB 4.18Å; L14-I28 HydrophobicContact CD2-CG2 3.69Å; L14-V29 HydrophobicContact CD2-CG2 4.21Å
15	E	84.1	Confident	76.1	Confident	127 Å²	127	72.4 Å²	72.4	59%	0.593	39%	0.386	S	S	*	.	H	α-helix	trans	-66.5	-45.6	177.8	-75.8	176.7	-176	0	0	110.9	K11 E12 K18 L19	K11-E15 WeakPolarHBondContact O-CB 3.42Å; K11-E15 WeakPolarHBondContact O-CG 3.27Å; K11-E15 PolarHBondContact O-N 2.71Å; E12-E15 PolarHBondContact O-N 3.16Å; E15-K18 PolarHBondContact O-N 3.22Å; E15-L19 WeakPolarHBondContact O-CG 3.41Å; E15-L19 PolarHBondContact O-N 2.72Å; E15-L19 VanDerWaalsContact O-N 3.07Å
16	D	81.4	Confident	77.8	Confident	43 Å²	43	71.7 Å²	71.7	23%	0.23	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-48.6	176.9	-177.3	99.3	0	0	0	112	E12 K18 L19 N20 K84	E12-D16 WeakPolarHBondContact O-CB 3.4Å; E12-D16 PolarHBondContact O-N 3.18Å; D16-K18 VanDerWaalsContact C-N 3.29Å; D16-K18 PolarHBondContact O-N 3.33Å; D16-L19 PolarHBondContact O-N 2.98Å; D16-L19 VanDerWaalsContact O-N 3.08Å; D16-N20 VanDerWaalsContact CG-ND2 3.26Å; D16-N20 WeakPolarHBondContact O-CB 3.34Å; D16-N20 PolarHBondContact O-N 3.15Å; D16-N20 PolarHBondContact O-ND2 2.86Å; D16-N20 PolarHBondContact OD1-ND2 2.78Å; D16-N20 PolarHBondContact OD2-ND2 2.91Å; D16-K84 IonicContact OD1-NZ 2.68Å; D16-K84 PolarHBondContact OD1-NZ 2.9Å; D16-K84 WeakPolarHBondContact OD2-CD 3.37Å; D16-K84 WeakPolarHBondContact OD2-CE 3.29Å; D16-K84 IonicContact OD2-NZ 2.88Å; D16-K84 PolarHBondContact OD2-NZ 2.64Å
17	L	82.9	Confident	79.6	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-65.7	-30.7	178.7	-72	177.9	0	0	0	112.7	I13 L19 T21 I28 F83 K84 I87 I88	I13-L17 HydrophobicContact CG2-CD1 3.72Å; I13-L17 HydrophobicContact CG2-CG 4.19Å; I13-L17 VanDerWaalsContact O-CB 3.3Å; I13-L17 WeakPolarHBondContact O-CB 3.42Å; I13-L17 VanDerWaalsContact O-CG 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 3.21Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-T21 HydrophobicContact CD2-CG2 4.37Å; L17-T21 WeakPolarHBondContact O-CA 3.34Å; L17-T21 VanDerWaalsContact O-CB 3.25Å; L17-T21 WeakPolarHBondContact O-CB 3.43Å; L17-T21 WeakPolarHBondContact O-CG2 3.45Å; L17-T21 PolarHBondContact O-N 2.89Å; L17-T21 PolarHBondContact O-OG1 3.12Å; L17-I28 HydrophobicContact CB-CD1 3.82Å; L17-I28 HydrophobicContact CD1-CG2 3.66Å; L17-F83 HydrophobicContact CD1-CD1 4.22Å; L17-F83 HydrophobicContact CD1-CE1 3.83Å; L17-K84 HydrophobicContact CD2-CB 4.44Å; L17-K84 HydrophobicContact CD2-CG 4.02Å; L17-I87 HydrophobicContact CD1-CB 4.32Å; L17-I87 HydrophobicContact CD1-CG1 4.4Å; L17-I87 HydrophobicContact CD1-CG2 4.19Å; L17-I87 HydrophobicContact CD2-CB 4.01Å; L17-I87 HydrophobicContact CD2-CG2 3.76Å; L17-I87 HydrophobicContact CG-CG2 4.5Å; L17-I88 HydrophobicContact CD2-CG1 4.1Å
18	K	82.4	Confident	81	Confident	90 Å²	90	69.5 Å²	69.5	39%	0.391	36%	0.355	S	S	.	.	H	α-helix	trans	-70.9	-28.9	173.3	-77.6	172.1	-178.4	-179.1	0	113.1	L14 E15 D16 E25 I28	L14-K18 WeakPolarHBondContact O-CB 3.47Å; L14-K18 WeakPolarHBondContact O-CD 3.46Å; L14-K18 WeakPolarHBondContact O-CG 3.37Å; L14-K18 PolarHBondContact O-N 2.58Å; E15-K18 PolarHBondContact O-N 3.22Å; D16-K18 VanDerWaalsContact C-N 3.29Å; D16-K18 PolarHBondContact O-N 3.33Å; K18-E25 VanDerWaalsContact CE-CB 3.49Å; K18-E25 IonicContact NZ-OE2 2.84Å; K18-E25 PolarHBondContact NZ-OE2 2.82Å; K18-I28 HydrophobicContact CG-CD1 4.13Å
19	L	80	Confident	82	Confident	148 Å²	148	67.9 Å²	67.9	78%	0.775	34%	0.34	S	S	*	.	H	α-helix	trans	-78.3	-39.1	176	-70.1	170	0	0	0	111.3	E15 D16 L17	E15-L19 WeakPolarHBondContact O-CG 3.41Å; E15-L19 PolarHBondContact O-N 2.72Å; E15-L19 VanDerWaalsContact O-N 3.07Å; D16-L19 PolarHBondContact O-N 2.98Å; D16-L19 VanDerWaalsContact O-N 3.08Å; L17-L19 VanDerWaalsContact C-N 3.33Å
20	N	74.2	Confident	82.5	Confident	84 Å²	84	72.9 Å²	72.9	45%	0.449	36%	0.363	S	S	.	.	H	α-helix	trans	-94.3	-9.5	-173.2	-64.7	-45.3	0	0	0	113.9	D16	D16-N20 VanDerWaalsContact CG-ND2 3.26Å; D16-N20 WeakPolarHBondContact O-CB 3.34Å; D16-N20 PolarHBondContact O-N 3.15Å; D16-N20 PolarHBondContact O-ND2 2.86Å; D16-N20 PolarHBondContact OD1-ND2 2.78Å; D16-N20 PolarHBondContact OD2-ND2 2.91Å
21	T	78	Confident	82.6	Confident	10 Å²	10	74.3 Å²	74.3	6%	0.061	36%	0.36	C	S	.	.	S	Bend	trans	-134.2	168.8	178.2	81.8	0	0	0	0	111.7	L17 F23 I87 H91	L17-T21 HydrophobicContact CD2-CG2 4.37Å; L17-T21 WeakPolarHBondContact O-CA 3.34Å; L17-T21 VanDerWaalsContact O-CB 3.25Å; L17-T21 WeakPolarHBondContact O-CB 3.43Å; L17-T21 WeakPolarHBondContact O-CG2 3.45Å; L17-T21 PolarHBondContact O-N 2.89Å; L17-T21 PolarHBondContact O-OG1 3.12Å; T21-F23 HydrophobicContact CG2-CD2 4.24Å; T21-F23 WeakPolarHBondContact OG1-CD2 3.46Å; T21-F23 PolarHBondContact OG1-N 3.28Å; T21-I87 HydrophobicContact CG2-CG2 4.11Å; T21-H91 HydrophobicContact CG2-CB 3.8Å
22	K	78.9	Confident	82.7	Confident	136 Å²	136	69 Å²	69	59%	0.591	34%	0.336	S	S	*	.	S	Bend	trans	-93.5	6.6	173.9	-65	179.7	178.7	179.3	0	113.2	H91	K22-H91 PolarHBondContact N-CE1 3.07Å
23	F	80.8	Confident	82.9	Confident	34 Å²	34	64.6 Å²	64.6	15%	0.149	32%	0.315	C	S	.	.			trans	-78.4	139.8	-175.5	-59.8	-52.3	0	0	0	111.1	T21 E27 I28 W31 I87 H91	T21-F23 HydrophobicContact CG2-CD2 4.24Å; T21-F23 WeakPolarHBondContact OG1-CD2 3.46Å; T21-F23 PolarHBondContact OG1-N 3.28Å; F23-E27 HydrophobicContact CB-CB 4.31Å; F23-I28 HydrophobicContact CB-CD1 4.21Å; F23-I28 HydrophobicContact CB-CG1 3.76Å; F23-W31 HydrophobicContact CZ-CH2 4.38Å; F23-I87 HydrophobicContact CD2-CG2 4.01Å; F23-I87 HydrophobicContact CE2-CG2 4.2Å; F23-H91 HydrophobicContact CE2-CB 3.8Å; F23-H91 AromaticContact CE2-ND1 3.85Å; F23-H91 HydrophobicContact CZ-CB 4.35Å; F23-H91 AromaticContact CZ-ND1 3.98Å
24	S	84.5	Confident	82.9	Confident	47 Å²	47	65.6 Å²	65.6	33%	0.329	32%	0.321	S	S	.	.			trans	-68.9	159.1	171.4	65.5	0	0	0	0	111.2	T26 E27 I28	S24-T26 PolarHBondContact O-N 3.41Å; S24-T26 PolarHBondContact OG-OG1 2.99Å; S24-E27 VanDerWaalsContact CB-OE2 3.27Å; S24-E27 WeakPolarHBondContact CB-OE2 3.4Å; S24-E27 PolarHBondContact N-OE2 2.99Å; S24-E27 PolarHBondContact O-N 3.05Å; S24-E27 VanDerWaalsContact O-N 3.11Å; S24-E27 VanDerWaalsContact OG-CD 3.31Å; S24-E27 VanDerWaalsContact OG-CG 3.29Å; S24-E27 WeakPolarHBondContact OG-CG 2.93Å; S24-E27 PolarHBondContact OG-N 3.49Å; S24-E27 PolarHBondContact OG-OE2 3.45Å; S24-I28 WeakPolarHBondContact O-CG1 3.5Å; S24-I28 PolarHBondContact O-N 2.86Å
25	E	86	Confident	82.9	Confident	69 Å²	69	65.7 Å²	65.7	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-53.8	-41.1	173.6	-168.1	172.6	149.8	0	0	111.9	S6 L14 K18 E27 I28 V29	S6-E25 PolarHBondContact OG-OE1 2.85Å; L14-E25 HydrophobicContact CD1-CG 4.37Å; L14-E25 HydrophobicContact CD2-CG 4.14Å; K18-E25 VanDerWaalsContact CE-CB 3.49Å; K18-E25 IonicContact NZ-OE2 2.84Å; K18-E25 PolarHBondContact NZ-OE2 2.82Å; E25-E27 PolarHBondContact O-N 3.25Å; E25-I28 PolarHBondContact O-N 3.28Å; E25-V29 HydrophobicContact CG-CG2 4.41Å; E25-V29 WeakPolarHBondContact O-CB 3.22Å; E25-V29 VanDerWaalsContact O-CG2 3.27Å; E25-V29 WeakPolarHBondContact O-CG2 3.46Å; E25-V29 PolarHBondContact O-N 2.79Å
26	T	85.5	Confident	82.9	Confident	99 Å²	99	63.2 Å²	63.2	61%	0.607	31%	0.309	S	S	*	.	H	α-helix	trans	-63	-40.7	179.8	36.8	0	0	0	0	112.4	S24 Q30	S24-T26 PolarHBondContact O-N 3.41Å; S24-T26 PolarHBondContact OG-OG1 2.99Å; T26-Q30 VanDerWaalsContact O-CG 3.28Å; T26-Q30 WeakPolarHBondContact O-CG 3.24Å; T26-Q30 PolarHBondContact O-N 3.32Å; T26-Q30 VanDerWaalsContact O-N 3.12Å
27	E	84.9	Confident	83	Confident	78 Å²	78	68.4 Å²	68.4	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-67.6	-47.9	176.2	-72.5	162.8	125.6	0	0	110.4	F23 S24 E25 V29 Q30 W31	F23-E27 HydrophobicContact CB-CB 4.31Å; S24-E27 VanDerWaalsContact CB-OE2 3.27Å; S24-E27 WeakPolarHBondContact CB-OE2 3.4Å; S24-E27 PolarHBondContact N-OE2 2.99Å; S24-E27 PolarHBondContact O-N 3.05Å; S24-E27 VanDerWaalsContact O-N 3.11Å; S24-E27 VanDerWaalsContact OG-CD 3.31Å; S24-E27 VanDerWaalsContact OG-CG 3.29Å; S24-E27 WeakPolarHBondContact OG-CG 2.93Å; S24-E27 PolarHBondContact OG-N 3.49Å; S24-E27 PolarHBondContact OG-OE2 3.45Å; E25-E27 PolarHBondContact O-N 3.25Å; E27-V29 VanDerWaalsContact C-N 3.31Å; E27-V29 PolarHBondContact O-N 3.38Å; E27-Q30 PolarHBondContact O-N 3.04Å; E27-Q30 VanDerWaalsContact O-N 3.14Å; E27-W31 PolarHBondContact O-N 2.96Å
28	I	84.9	Confident	82.7	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-57.7	-44.9	179.8	-63.8	163.5	0	0	0	110.9	L14 L17 K18 F23 S24 E25 W31 Y32 F83	L14-I28 HydrophobicContact CD2-CB 4.18Å; L14-I28 HydrophobicContact CD2-CG2 3.69Å; L17-I28 HydrophobicContact CB-CD1 3.82Å; L17-I28 HydrophobicContact CD1-CG2 3.66Å; K18-I28 HydrophobicContact CG-CD1 4.13Å; F23-I28 HydrophobicContact CB-CD1 4.21Å; F23-I28 HydrophobicContact CB-CG1 3.76Å; S24-I28 WeakPolarHBondContact O-CG1 3.5Å; S24-I28 PolarHBondContact O-N 2.86Å; E25-I28 PolarHBondContact O-N 3.28Å; I28-W31 PolarHBondContact O-N 3.38Å; I28-Y32 WeakPolarHBondContact O-CB 3.21Å; I28-Y32 PolarHBondContact O-N 2.91Å; I28-F83 HydrophobicContact CG2-CE1 3.95Å; I28-F83 HydrophobicContact CG2-CZ 4.24Å; I28-F83 WeakPolarHBondContact O-CZ 3.24Å
29	V	85.8	Confident	82.7	Confident	8 Å²	8	71.7 Å²	71.7	5%	0.048	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-42.1	178.1	171.5	0	0	0	0	111.8	K5 L14 E25 E27 W31 Y32 E33	K5-V29 HydrophobicContact CB-CG1 4.38Å; L14-V29 HydrophobicContact CD2-CG2 4.21Å; E25-V29 HydrophobicContact CG-CG2 4.41Å; E25-V29 WeakPolarHBondContact O-CB 3.22Å; E25-V29 VanDerWaalsContact O-CG2 3.27Å; E25-V29 WeakPolarHBondContact O-CG2 3.46Å; E25-V29 PolarHBondContact O-N 2.79Å; E27-V29 VanDerWaalsContact C-N 3.31Å; E27-V29 PolarHBondContact O-N 3.38Å; V29-W31 VanDerWaalsContact C-N 3.34Å; V29-W31 PolarHBondContact O-N 3.36Å; V29-Y32 PolarHBondContact O-N 3.14Å; V29-E33 WeakPolarHBondContact O-CG 3.36Å; V29-E33 PolarHBondContact O-N 3.15Å
30	Q	85.2	Confident	82.8	Confident	110 Å²	110	69.4 Å²	69.4	51%	0.514	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-41.7	176.8	-76.5	176.3	-4.4	0	0	112	T26 E27 Y32 E33 N34	T26-Q30 VanDerWaalsContact O-CG 3.28Å; T26-Q30 WeakPolarHBondContact O-CG 3.24Å; T26-Q30 PolarHBondContact O-N 3.32Å; T26-Q30 VanDerWaalsContact O-N 3.12Å; E27-Q30 PolarHBondContact O-N 3.04Å; E27-Q30 VanDerWaalsContact O-N 3.14Å; Q30-Y32 VanDerWaalsContact C-N 3.33Å; Q30-E33 PolarHBondContact O-N 2.94Å; Q30-N34 PolarHBondContact O-N 3.31Å; Q30-N34 PolarHBondContact O-ND2 3Å
31	W	84.4	Confident	83.4	Confident	87 Å²	87	69.4 Å²	69.4	33%	0.33	35%	0.348	S	S	.	.	H	α-helix	trans	-66.3	-38.4	177.7	-75.7	49.4	0	0	0	111.2	F23 E27 I28 V29 N34 F35 F83 I87 L90	F23-W31 HydrophobicContact CZ-CH2 4.38Å; E27-W31 PolarHBondContact O-N 2.96Å; I28-W31 PolarHBondContact O-N 3.38Å; V29-W31 VanDerWaalsContact C-N 3.34Å; V29-W31 PolarHBondContact O-N 3.36Å; W31-N34 PolarHBondContact O-N 2.86Å; W31-F35 VanDerWaalsContact O-CB 3.22Å; W31-F35 WeakPolarHBondContact O-CB 3.26Å; W31-F35 PolarHBondContact O-N 2.99Å; W31-F83 HydrophobicContact CB-CE2 4.31Å; W31-F83 HydrophobicContact CB-CZ 4.29Å; W31-I87 HydrophobicContact CB-CD1 3.76Å; W31-I87 HydrophobicContact CD2-CD1 4.01Å; W31-I87 HydrophobicContact CE3-CD1 3.36Å; W31-I87 HydrophobicContact CG-CD1 4.22Å; W31-I87 HydrophobicContact CZ3-CD1 4.14Å; W31-L90 HydrophobicContact CE3-CD1 3.9Å; W31-L90 HydrophobicContact CH2-CB 4.24Å; W31-L90 HydrophobicContact CH2-CD1 4.16Å; W31-L90 HydrophobicContact CZ3-CB 3.68Å; W31-L90 HydrophobicContact CZ3-CD1 3.25Å; W31-L90 HydrophobicContact CZ3-CG 4.01Å
32	Y	85.4	Confident	83.7	Confident	53 Å²	53	69.7 Å²	69.7	21%	0.208	35%	0.353	C	S	.	.	H	α-helix	trans	-62.8	-45.4	173.8	-175.2	-106.5	0	0	0	112.7	A8 V9 I28 V29 Q30 N34 F35 K36 F83	A8-Y32 VanDerWaalsContact C-CE1 3.5Å; A8-Y32 HydrophobicContact CB-CD1 3.88Å; A8-Y32 HydrophobicContact CB-CE1 3.87Å; A8-Y32 WeakPolarHBondContact O-CE1 3.31Å; A8-Y32 VanDerWaalsContact O-CZ 3.31Å; A8-Y32 PolarHBondContact O-OH 3.5Å; V9-Y32 VanDerWaalsContact CG2-CB 3.49Å; V9-Y32 HydrophobicContact CG2-CD1 3.44Å; V9-Y32 VanDerWaalsContact CG2-CD1 3.44Å; V9-Y32 HydrophobicContact CG2-CD2 3.93Å; V9-Y32 HydrophobicContact CG2-CE1 4.06Å; V9-Y32 HydrophobicContact CG2-CE2 4.49Å; V9-Y32 HydrophobicContact CG2-CG 3.34Å; I28-Y32 WeakPolarHBondContact O-CB 3.21Å; I28-Y32 PolarHBondContact O-N 2.91Å; V29-Y32 PolarHBondContact O-N 3.14Å; Q30-Y32 VanDerWaalsContact C-N 3.33Å; Y32-N34 VanDerWaalsContact C-N 3.28Å; Y32-N34 PolarHBondContact O-N 2.95Å; Y32-F35 PolarHBondContact O-N 3.46Å; Y32-K36 HydrophobicContact CD1-CG 4.17Å; Y32-K36 HydrophobicContact CD2-CG 4.38Å; Y32-K36 HydrophobicContact CE1-CD 4.5Å; Y32-K36 HydrophobicContact CE1-CG 3.76Å; Y32-K36 HydrophobicContact CE2-CD 4.28Å; Y32-K36 HydrophobicContact CE2-CG 4.01Å; Y32-K36 HydrophobicContact CG-CG 4.48Å; Y32-K36 WeakPolarHBondContact O-CB 3.5Å; Y32-K36 WeakPolarHBondContact O-CG 3.29Å; Y32-K36 PolarHBondContact O-N 3.18Å; Y32-F83 VanDerWaalsContact CA-CZ 3.45Å; Y32-F83 VanDerWaalsContact CB-CZ 3.45Å; Y32-F83 HydrophobicContact CD2-CB 4.11Å; Y32-F83 AromaticContact CD2-CD1 3.49Å; Y32-F83 HydrophobicContact CD2-CD1 3.49Å; Y32-F83 VanDerWaalsContact CD2-CD1 3.49Å; Y32-F83 AromaticContact CD2-CD2 3.77Å; Y32-F83 HydrophobicContact CD2-CD2 3.77Å; Y32-F83 AromaticContact CD2-CE1 3.73Å; Y32-F83 HydrophobicContact CD2-CE1 3.73Å; Y32-F83 HydrophobicContact CD2-CE2 4.02Å; Y32-F83 AromaticContact CD2-CG 3.49Å; Y32-F83 HydrophobicContact CD2-CG 3.49Å; Y32-F83 VanDerWaalsContact CD2-CG 3.49Å; Y32-F83 AromaticContact CD2-CZ 4Å; Y32-F83 HydrophobicContact CD2-CZ 4Å; Y32-F83 HydrophobicContact CE2-CB 4.22Å; Y32-F83 HydrophobicContact CE2-CD1 4.19Å; Y32-F83 HydrophobicContact CE2-CG 4.1Å; Y32-F83 HydrophobicContact CG-CD1 4.39Å; Y32-F83 HydrophobicContact CG-CE1 4.21Å; Y32-F83 HydrophobicContact CG-CE2 4.45Å; Y32-F83 HydrophobicContact CG-CZ 4.24Å
33	E	85.3	Confident	84.2	Confident	65 Å²	65	68.1 Å²	68.1	30%	0.304	34%	0.343	S	S	.	.	H	α-helix	trans	-59.1	-41.3	176.1	-74.3	-178.7	-177.6	0	0	111.2	K5 V29 Q30 K37	K5-E33 IonicContact NZ-OE1 3.32Å; V29-E33 WeakPolarHBondContact O-CG 3.36Å; V29-E33 PolarHBondContact O-N 3.15Å; Q30-E33 PolarHBondContact O-N 2.94Å; E33-K37 VanDerWaalsContact O-CG 3.3Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 2.95Å
34	N	82.8	Confident	84.6	Confident	82 Å²	82	66.7 Å²	66.7	44%	0.439	34%	0.337	S	S	.	.	H	α-helix	trans	-69.6	-42.7	176.7	-73.7	-21.2	0	0	0	112.3	Q30 W31 Y32 K36 K37 Q38	Q30-N34 PolarHBondContact O-N 3.31Å; Q30-N34 PolarHBondContact O-ND2 3Å; W31-N34 PolarHBondContact O-N 2.86Å; Y32-N34 VanDerWaalsContact C-N 3.28Å; Y32-N34 PolarHBondContact O-N 2.95Å; N34-K36 PolarHBondContact O-N 3.32Å; N34-K37 WeakPolarHBondContact O-CB 3.32Å; N34-K37 PolarHBondContact O-N 3.41Å; N34-Q38 WeakPolarHBondContact O-CG 3.3Å; N34-Q38 PolarHBondContact O-N 3.46Å
35	F	83.2	Confident	84.9	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.035	33%	0.334	C	S	.	.	H	α-helix	trans	-59.6	-46.7	176.5	178.8	-92.6	0	0	0	111	W31 Y32 K37 Q38 C39 G42 I44 F83 Y86	W31-F35 VanDerWaalsContact O-CB 3.22Å; W31-F35 WeakPolarHBondContact O-CB 3.26Å; W31-F35 PolarHBondContact O-N 2.99Å; Y32-F35 PolarHBondContact O-N 3.46Å; F35-K37 VanDerWaalsContact C-N 3.28Å; F35-K37 PolarHBondContact O-N 2.98Å; F35-Q38 PolarHBondContact O-N 3.39Å; F35-C39 WeakPolarHBondContact O-CA 3.33Å; F35-C39 WeakPolarHBondContact O-CB 3.4Å; F35-C39 PolarHBondContact O-N 2.76Å; F35-G42 VanDerWaalsContact CE1-C 3.43Å; F35-G42 WeakPolarHBondContact CE1-O 3.41Å; F35-I44 HydrophobicContact CD2-CD1 4.19Å; F35-I44 HydrophobicContact CD2-CG1 4.49Å; F35-I44 HydrophobicContact CE2-CD1 3.47Å; F35-I44 VanDerWaalsContact CE2-CD1 3.47Å; F35-I44 HydrophobicContact CE2-CG1 3.53Å; F35-I44 HydrophobicContact CZ-CD1 4.36Å; F35-I44 HydrophobicContact CZ-CG1 3.96Å; F35-F83 HydrophobicContact CB-CD2 3.86Å; F35-F83 HydrophobicContact CB-CE2 4.03Å; F35-F83 HydrophobicContact CD1-CB 4.19Å; F35-F83 AromaticContact CD1-CD2 3.83Å; F35-F83 HydrophobicContact CD1-CD2 3.83Å; F35-F83 HydrophobicContact CD1-CG 4.44Å; F35-F83 HydrophobicContact CD2-CD2 4.12Å; F35-F83 HydrophobicContact CE1-CB 3.95Å; F35-F83 HydrophobicContact CE1-CD2 4.34Å; F35-F83 AromaticContact CG-CD2 3.7Å; F35-F83 HydrophobicContact CG-CD2 3.7Å; F35-F83 HydrophobicContact CG-CE2 4.36Å; F35-F83 HydrophobicContact CZ-CB 4.34Å; F35-Y86 AromaticContact CD2-CD1 3.6Å; F35-Y86 HydrophobicContact CD2-CD1 3.6Å; F35-Y86 AromaticContact CD2-CE1 3.85Å; F35-Y86 HydrophobicContact CD2-CE1 3.85Å; F35-Y86 HydrophobicContact CD2-CG 4.06Å; F35-Y86 AromaticContact CE2-CD1 3.88Å; F35-Y86 HydrophobicContact CE2-CD1 3.88Å; F35-Y86 HydrophobicContact CE2-CD2 4.48Å; F35-Y86 HydrophobicContact CE2-CE1 4.47Å; F35-Y86 AromaticContact CE2-CG 3.86Å; F35-Y86 HydrophobicContact CE2-CG 3.86Å
36	K	84.1	Confident	84.9	Confident	76 Å²	76	67 Å²	67	33%	0.33	34%	0.336	S	S	.	.	H	α-helix	trans	-65.4	-27	176.6	-73.4	-66.2	-66.2	174.6	0	113.8	Y32 N34 C39 P40	Y32-K36 HydrophobicContact CD1-CG 4.17Å; Y32-K36 HydrophobicContact CD2-CG 4.38Å; Y32-K36 HydrophobicContact CE1-CD 4.5Å; Y32-K36 HydrophobicContact CE1-CG 3.76Å; Y32-K36 HydrophobicContact CE2-CD 4.28Å; Y32-K36 HydrophobicContact CE2-CG 4.01Å; Y32-K36 HydrophobicContact CG-CG 4.48Å; Y32-K36 WeakPolarHBondContact O-CB 3.5Å; Y32-K36 WeakPolarHBondContact O-CG 3.29Å; Y32-K36 PolarHBondContact O-N 3.18Å; N34-K36 PolarHBondContact O-N 3.32Å; K36-C39 CarbonylContact O-C 3.59Å; K36-P40 PolarHBondContact NZ-O 2.88Å; K36-P40 WeakPolarHBondContact O-CA 3.22Å
37	K	83.2	Confident	85	Confident	151 Å²	151	67.3 Å²	67.3	66%	0.657	33%	0.334	S	S	*	.	H	α-helix	trans	-72.7	-39.4	173.1	-75.1	170.5	-173.1	169.6	0	112.1	E33 N34 F35	E33-K37 VanDerWaalsContact O-CG 3.3Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 2.95Å; N34-K37 WeakPolarHBondContact O-CB 3.32Å; N34-K37 PolarHBondContact O-N 3.41Å; F35-K37 VanDerWaalsContact C-N 3.28Å; F35-K37 PolarHBondContact O-N 2.98Å
38	Q	78.1	Confident	85.1	Confident	146 Å²	146	67.3 Å²	67.3	68%	0.682	33%	0.334	S	S	*	.	H	α-helix	trans	-82.8	-34.7	-178.8	-65.6	-175	25.5	0	0	112.3	N34 F35 P40	N34-Q38 WeakPolarHBondContact O-CG 3.3Å; N34-Q38 PolarHBondContact O-N 3.46Å; F35-Q38 PolarHBondContact O-N 3.39Å; Q38-P40 WeakPolarHBondContact O-CD 3.44Å
39	C	82.3	Confident	85.1	Confident	14 Å²	14	68 Å²	68	10%	0.095	34%	0.337	C	S	.	.			trans	-124.4	82.5	-180	-57.4	0	0	0	0	108.9	F35 K36 S41 G42	F35-C39 WeakPolarHBondContact O-CA 3.33Å; F35-C39 WeakPolarHBondContact O-CB 3.4Å; F35-C39 PolarHBondContact O-N 2.76Å; K36-C39 CarbonylContact O-C 3.59Å; C39-S41 PolarHBondContact O-N 3.22Å; C39-S41 VanDerWaalsContact O-N 3.17Å; C39-G42 PolarHBondContact O-N 3.29Å
40	P	82.1	Confident	85	Confident	100 Å²	100	68.4 Å²	68.4	65%	0.649	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.5	-179.3	-26.5	35.3	0	0	0	113.4	K36 Q38 G42	K36-P40 PolarHBondContact NZ-O 2.88Å; K36-P40 WeakPolarHBondContact O-CA 3.22Å; Q38-P40 WeakPolarHBondContact O-CD 3.44Å; P40-G42 PolarHBondContact O-N 2.91Å
41	S	85.1	Confident	84.9	Confident	83 Å²	83	66.8 Å²	66.8	58%	0.58	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.5	171.6	55.8	0	0	0	0	113.2	C39 R43	C39-S41 PolarHBondContact O-N 3.22Å; C39-S41 VanDerWaalsContact O-N 3.17Å; S41-R43 VanDerWaalsContact C-N 3.26Å; S41-R43 PolarHBondContact OG-N 3.01Å; S41-R43 PolarHBondContact OG-O 3.24Å
42	G	85.4	Confident	84.6	Confident	16 Å²	16	65.5 Å²	65.5	17%	0.165	33%	0.332	C	S	.	.	S	Bend	trans	74.6	16.2	-169.7	0	0	0	0	0	113.5	F35 C39 P40	F35-G42 VanDerWaalsContact CE1-C 3.43Å; F35-G42 WeakPolarHBondContact CE1-O 3.41Å; C39-G42 PolarHBondContact O-N 3.29Å; P40-G42 PolarHBondContact O-N 2.91Å
43	R	89.3	Confident	84.1	Confident	104 Å²	104	64.8 Å²	64.8	39%	0.392	33%	0.33	S	S	.	.			trans	-141.7	140.6	-178.8	-69.7	179.1	177.5	-81.6	1.6	109.6	S41 D78 T80 L81	S41-R43 VanDerWaalsContact C-N 3.26Å; S41-R43 PolarHBondContact OG-N 3.01Å; S41-R43 PolarHBondContact OG-O 3.24Å; R43-D78 IonicContact CZ-OD2 3.6Å; R43-D78 IonicContact NH1-OD1 3.71Å; R43-D78 IonicContact NH1-OD2 2.71Å; R43-D78 PolarHBondContact NH1-OD2 3.21Å; R43-D78 IonicContact NH2-OD2 3.83Å; R43-T80 HydrophobicContact CB-CG2 4.38Å; R43-T80 WeakPolarHBondContact CD-OG1 3.45Å; R43-T80 PolarHBondContact NH1-OG1 2.84Å; R43-L81 CarbonylContact C-O 3.4Å; R43-L81 WeakPolarHBondContact CA-O 3.41Å
44	I	89.3	Confident	83.8	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.1	172.4	-60	178	0	0	0	108.1	F35 E48 F49 T80 L81 Y86	F35-I44 HydrophobicContact CD2-CD1 4.19Å; F35-I44 HydrophobicContact CD2-CG1 4.49Å; F35-I44 HydrophobicContact CE2-CD1 3.47Å; F35-I44 VanDerWaalsContact CE2-CD1 3.47Å; F35-I44 HydrophobicContact CE2-CG1 3.53Å; F35-I44 HydrophobicContact CZ-CD1 4.36Å; F35-I44 HydrophobicContact CZ-CG1 3.96Å; I44-E48 HydrophobicContact CG2-CB 3.91Å; I44-F49 HydrophobicContact CG2-CB 4.01Å; I44-T80 CarbonylContact O-C 3.58Å; I44-T80 VanDerWaalsContact O-CA 3.31Å; I44-T80 WeakPolarHBondContact O-CA 3.37Å; I44-L81 HydrophobicContact CB-CB 4.29Å; I44-L81 PolarHBondContact N-O 3.42Å; I44-L81 PolarHBondContact O-N 3Å; I44-Y86 HydrophobicContact CD1-CD2 3.41Å; I44-Y86 VanDerWaalsContact CD1-CD2 3.41Å; I44-Y86 HydrophobicContact CD1-CE2 3.7Å; I44-Y86 HydrophobicContact CD1-CG 3.99Å
45	S	89.8	Confident	83.5	Confident	39 Å²	39	71 Å²	71	27%	0.273	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	159.7	171.7	62.7	0	0	0	0	111.9	D47 E48 F49	S45-D47 PolarHBondContact O-N 3.05Å; S45-E48 WeakPolarHBondContact CB-OE2 3.46Å; S45-E48 PolarHBondContact N-OE2 3.16Å; S45-E48 PolarHBondContact O-N 3Å; S45-E48 VanDerWaalsContact O-N 3.15Å; S45-E48 VanDerWaalsContact OG-CD 3.26Å; S45-E48 VanDerWaalsContact OG-CG 3.27Å; S45-E48 WeakPolarHBondContact OG-CG 3.24Å; S45-E48 PolarHBondContact OG-N 3.2Å; S45-E48 PolarHBondContact OG-OE2 3.09Å; S45-F49 PolarHBondContact O-N 3.35Å
46	K	87	Confident	82.9	Confident	84 Å²	84	78 Å²	78	37%	0.365	38%	0.379	S	S	.	.	H	α-helix	trans	-51.7	-41.2	173.8	-171.6	175.1	178.3	178.9	0	112.8	F49 Q50 F70	K46-F49 PolarHBondContact O-N 3.4Å; K46-Q50 VanDerWaalsContact O-CG 3.32Å; K46-Q50 WeakPolarHBondContact O-CG 3.49Å; K46-Q50 PolarHBondContact O-N 2.99Å; K46-F70 HydrophobicContact CB-CD1 4.46Å; K46-F70 HydrophobicContact CB-CE1 4.22Å; K46-F70 HydrophobicContact CB-CE2 4.28Å; K46-F70 HydrophobicContact CB-CZ 4.1Å; K46-F70 HydrophobicContact CG-CD1 4.36Å; K46-F70 HydrophobicContact CG-CG 4.44Å
47	D	87.2	Confident	82.2	Confident	105 Å²	105	77.1 Å²	77.1	56%	0.561	38%	0.376	S	S	*	.	H	α-helix	trans	-68.4	-41.4	-179.9	-68.1	-21.1	0	0	0	112.3	S45 F49 Q50 N51	S45-D47 PolarHBondContact O-N 3.05Å; D47-F49 VanDerWaalsContact C-N 3.34Å; D47-Q50 PolarHBondContact O-N 3.42Å; D47-N51 WeakPolarHBondContact O-CB 3.47Å; D47-N51 PolarHBondContact O-N 2.94Å; D47-N51 PolarHBondContact O-ND2 2.68Å; D47-N51 VanDerWaalsContact O-ND2 3.12Å
48	E	87.1	Confident	81.8	Confident	78 Å²	78	74.4 Å²	74.4	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-43.5	174.9	-73.3	163.8	141.4	0	0	110.8	I44 S45 N51 I52	I44-E48 HydrophobicContact CG2-CB 3.91Å; S45-E48 WeakPolarHBondContact CB-OE2 3.46Å; S45-E48 PolarHBondContact N-OE2 3.16Å; S45-E48 PolarHBondContact O-N 3Å; S45-E48 VanDerWaalsContact O-N 3.15Å; S45-E48 VanDerWaalsContact OG-CD 3.26Å; S45-E48 VanDerWaalsContact OG-CG 3.27Å; S45-E48 WeakPolarHBondContact OG-CG 3.24Å; S45-E48 PolarHBondContact OG-N 3.2Å; S45-E48 PolarHBondContact OG-OE2 3.09Å; E48-N51 PolarHBondContact O-N 2.73Å; E48-I52 WeakPolarHBondContact O-CG1 3.25Å; E48-I52 PolarHBondContact O-N 3.32Å
49	F	85.1	Confident	81.5	Confident	16 Å²	16	74.4 Å²	74.4	7%	0.07	38%	0.378	C	S	.	.	H	α-helix	trans	-63	-44.9	177	-169.7	-95.2	0	0	0	112.6	I44 S45 K46 D47 N51 I52 Y53 A66 V69 F70 F73 L81	I44-F49 HydrophobicContact CG2-CB 4.01Å; S45-F49 PolarHBondContact O-N 3.35Å; K46-F49 PolarHBondContact O-N 3.4Å; D47-F49 VanDerWaalsContact C-N 3.34Å; F49-N51 VanDerWaalsContact C-N 3.31Å; F49-N51 PolarHBondContact O-N 2.99Å; F49-I52 WeakPolarHBondContact O-CB 3.45Å; F49-I52 PolarHBondContact O-N 2.91Å; F49-I52 VanDerWaalsContact O-N 3.16Å; F49-Y53 HydrophobicContact CD1-CD2 4.04Å; F49-Y53 HydrophobicContact CD1-CE2 4.43Å; F49-Y53 AromaticContact CE1-CD2 3.47Å; F49-Y53 HydrophobicContact CE1-CD2 3.47Å; F49-Y53 VanDerWaalsContact CE1-CD2 3.47Å; F49-Y53 AromaticContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CE2 3.44Å; F49-Y53 VanDerWaalsContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CG 4.48Å; F49-Y53 HydrophobicContact CE2-CE2 4.33Å; F49-Y53 AromaticContact CZ-CD2 3.78Å; F49-Y53 HydrophobicContact CZ-CD2 3.78Å; F49-Y53 AromaticContact CZ-CE2 3.38Å; F49-Y53 HydrophobicContact CZ-CE2 3.38Å; F49-Y53 PolarHBondContact O-N 3.49Å; F49-A66 WeakPolarHBondContact CE1-O 3.18Å; F49-V69 HydrophobicContact CE1-CB 4.26Å; F49-V69 HydrophobicContact CE1-CG1 3.98Å; F49-V69 HydrophobicContact CZ-CG1 3.73Å; F49-F70 HydrophobicContact CB-CD2 3.61Å; F49-F70 HydrophobicContact CB-CE2 4.1Å; F49-F70 HydrophobicContact CD1-CB 3.88Å; F49-F70 AromaticContact CD1-CD2 3.98Å; F49-F70 HydrophobicContact CD1-CD2 3.98Å; F49-F70 HydrophobicContact CD1-CG 4.45Å; F49-F70 HydrophobicContact CD2-CD2 4.28Å; F49-F70 HydrophobicContact CE1-CB 4.12Å; F49-F70 HydrophobicContact CG-CB 4.46Å; F49-F70 AromaticContact CG-CD2 3.71Å; F49-F70 HydrophobicContact CG-CD2 3.71Å; F49-F73 HydrophobicContact CZ-CD2 4.47Å; F49-L81 HydrophobicContact CD2-CD1 3.9Å; F49-L81 HydrophobicContact CE2-CD1 4.03Å
50	Q	83.6	Confident	80.9	Confident	15 Å²	15	75.1 Å²	75.1	7%	0.07	38%	0.383	C	S	.	.	H	α-helix	trans	-60.1	-41.1	174.8	-75.7	177.9	-2.5	0	0	112.1	K46 D47 I52 Y53 R54 N63 A66	K46-Q50 VanDerWaalsContact O-CG 3.32Å; K46-Q50 WeakPolarHBondContact O-CG 3.49Å; K46-Q50 PolarHBondContact O-N 2.99Å; D47-Q50 PolarHBondContact O-N 3.42Å; Q50-I52 VanDerWaalsContact C-N 3.27Å; Q50-I52 PolarHBondContact O-N 3.36Å; Q50-Y53 PolarHBondContact O-N 2.9Å; Q50-R54 WeakPolarHBondContact O-CG 3.38Å; Q50-R54 PolarHBondContact O-N 3.14Å; Q50-N63 PolarHBondContact NE2-OD1 3.12Å; Q50-N63 PolarHBondContact OE1-OD1 3.32Å; Q50-A66 HydrophobicContact CG-CB 4.33Å
51	N	82.9	Confident	80.7	Confident	76 Å²	76	74.2 Å²	74.2	41%	0.406	37%	0.373	S	S	.	.	H	α-helix	trans	-65.2	-31.9	177.3	-74.2	-30.2	0	0	0	112.6	D47 E48 F49 R54 K55	D47-N51 WeakPolarHBondContact O-CB 3.47Å; D47-N51 PolarHBondContact O-N 2.94Å; D47-N51 PolarHBondContact O-ND2 2.68Å; D47-N51 VanDerWaalsContact O-ND2 3.12Å; E48-N51 PolarHBondContact O-N 2.73Å; F49-N51 VanDerWaalsContact C-N 3.31Å; F49-N51 PolarHBondContact O-N 2.99Å; N51-R54 PolarHBondContact OD1-NH1 3.29Å; N51-K55 WeakPolarHBondContact O-CG 3.27Å
52	I	78.9	Confident	80.4	Confident	61 Å²	61	70.4 Å²	70.4	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-50.4	171.1	-66.4	165.6	0	0	0	109.5	E48 F49 Q50 R54 K55 F56	E48-I52 WeakPolarHBondContact O-CG1 3.25Å; E48-I52 PolarHBondContact O-N 3.32Å; F49-I52 WeakPolarHBondContact O-CB 3.45Å; F49-I52 PolarHBondContact O-N 2.91Å; F49-I52 VanDerWaalsContact O-N 3.16Å; Q50-I52 VanDerWaalsContact C-N 3.27Å; Q50-I52 PolarHBondContact O-N 3.36Å; I52-R54 PolarHBondContact O-N 2.89Å; I52-K55 WeakPolarHBondContact O-CB 3.48Å; I52-K55 PolarHBondContact O-N 2.87Å; I52-K55 VanDerWaalsContact O-N 3.09Å; I52-F56 HydrophobicContact CG2-CD2 3.93Å; I52-F56 HydrophobicContact CG2-CE2 3.58Å; I52-F56 VanDerWaalsContact O-CD2 3.25Å; I52-F56 WeakPolarHBondContact O-CD2 3.37Å; I52-F56 PolarHBondContact O-N 2.72Å
53	Y	74.9	Confident	80.3	Confident	38 Å²	38	71.8 Å²	71.8	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-58.6	-43.8	-179.9	-107.4	-101.4	0	0	0	113.2	F49 Q50 K55 F56 F57 Y65 A66 V69	F49-Y53 HydrophobicContact CD1-CD2 4.04Å; F49-Y53 HydrophobicContact CD1-CE2 4.43Å; F49-Y53 AromaticContact CE1-CD2 3.47Å; F49-Y53 HydrophobicContact CE1-CD2 3.47Å; F49-Y53 VanDerWaalsContact CE1-CD2 3.47Å; F49-Y53 AromaticContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CE2 3.44Å; F49-Y53 VanDerWaalsContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CG 4.48Å; F49-Y53 HydrophobicContact CE2-CE2 4.33Å; F49-Y53 AromaticContact CZ-CD2 3.78Å; F49-Y53 HydrophobicContact CZ-CD2 3.78Å; F49-Y53 AromaticContact CZ-CE2 3.38Å; F49-Y53 HydrophobicContact CZ-CE2 3.38Å; F49-Y53 PolarHBondContact O-N 3.49Å; Q50-Y53 PolarHBondContact O-N 2.9Å; Y53-K55 PolarHBondContact O-N 2.99Å; Y53-F56 PolarHBondContact O-N 2.91Å; Y53-F57 AromaticContact CD1-CD2 3.95Å; Y53-F57 HydrophobicContact CD1-CD2 3.95Å; Y53-F57 AromaticContact CD1-CE2 3.98Å; Y53-F57 HydrophobicContact CD1-CE2 3.98Å; Y53-F57 HydrophobicContact CE1-CD2 4.34Å; Y53-F57 AromaticContact CE1-CE2 3.91Å; Y53-F57 HydrophobicContact CE1-CE2 3.91Å; Y53-F57 PolarHBondContact O-N 3.48Å; Y53-Y65 AromaticContact CE1-CD1 3.92Å; Y53-Y65 HydrophobicContact CE1-CD1 3.92Å; Y53-Y65 HydrophobicContact CE1-CE1 4.1Å; Y53-A66 HydrophobicContact CD1-CB 3.87Å; Y53-A66 HydrophobicContact CD2-CB 4.22Å; Y53-A66 HydrophobicContact CG-CB 3.65Å; Y53-V69 HydrophobicContact CE2-CG1 4.3Å
54	R	78.5	Confident	80.1	Confident	107 Å²	107	68.7 Å²	68.7	40%	0.404	34%	0.343	S	S	.	.	H	α-helix	trans	-58.4	-30	176.1	-73.1	178.9	-166.8	128.7	9.2	113.4	Q50 N51 I52 F57 P58 N63	Q50-R54 WeakPolarHBondContact O-CG 3.38Å; Q50-R54 PolarHBondContact O-N 3.14Å; N51-R54 PolarHBondContact OD1-NH1 3.29Å; I52-R54 PolarHBondContact O-N 2.89Å; R54-F57 CarbonylContact O-C 3.52Å; R54-P58 WeakPolarHBondContact O-CA 3.46Å; R54-N63 PolarHBondContact NH2-OD1 2.83Å
55	K	76.2	Confident	79.9	Confident	171 Å²	171	69.6 Å²	69.6	74%	0.743	35%	0.346	S	S	*	.	H	α-helix	trans	-74.7	-29.8	177.3	-69.9	172.8	-177.5	177.6	0	112.6	N51 I52 Y53	N51-K55 WeakPolarHBondContact O-CG 3.27Å; I52-K55 WeakPolarHBondContact O-CB 3.48Å; I52-K55 PolarHBondContact O-N 2.87Å; I52-K55 VanDerWaalsContact O-N 3.09Å; Y53-K55 PolarHBondContact O-N 2.99Å
56	F	70.6	Confident	79.7	Confident	154 Å²	154	67.8 Å²	67.8	68%	0.675	33%	0.333	S	S	*	.	H	α-helix	trans	-83	-28.1	177.1	-73.2	-70.8	0	0	0	112.6	I52 Y53 P58	I52-F56 HydrophobicContact CG2-CD2 3.93Å; I52-F56 HydrophobicContact CG2-CE2 3.58Å; I52-F56 VanDerWaalsContact O-CD2 3.25Å; I52-F56 WeakPolarHBondContact O-CD2 3.37Å; I52-F56 PolarHBondContact O-N 2.72Å; Y53-F56 PolarHBondContact O-N 2.91Å; F56-P58 VanDerWaalsContact C-CD 3.45Å; F56-P58 WeakPolarHBondContact O-CD 3.28Å
57	F	69.4	Low	79.8	Confident	57 Å²	57	66.6 Å²	66.6	25%	0.25	33%	0.329	C	S	.	.			trans	-125.7	67.8	179.5	-59.9	-84.1	0	0	0	110.6	Y53 R54 D59 S60 A62 Y188	Y53-F57 AromaticContact CD1-CD2 3.95Å; Y53-F57 HydrophobicContact CD1-CD2 3.95Å; Y53-F57 AromaticContact CD1-CE2 3.98Å; Y53-F57 HydrophobicContact CD1-CE2 3.98Å; Y53-F57 HydrophobicContact CE1-CD2 4.34Å; Y53-F57 AromaticContact CE1-CE2 3.91Å; Y53-F57 HydrophobicContact CE1-CE2 3.91Å; Y53-F57 PolarHBondContact O-N 3.48Å; R54-F57 CarbonylContact O-C 3.52Å; F57-D59 PolarHBondContact O-N 2.88Å; F57-S60 WeakPolarHBondContact CB-OG 3.17Å; F57-A62 HydrophobicContact CB-CB 3.85Å; F57-A62 HydrophobicContact CD2-CB 4.44Å; F57-A62 HydrophobicContact CG-CB 4.34Å; F57-Y188 HydrophobicContact CE1-CD1 4.24Å; F57-Y188 AromaticContact CE1-CE1 3.83Å; F57-Y188 HydrophobicContact CE1-CE1 3.83Å
58	P	74	Confident	79.9	Confident	95 Å²	95	62.2 Å²	62.2	62%	0.617	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.7	-174.7	26.5	-34.1	0	0	0	113.3	R54 F56	R54-P58 WeakPolarHBondContact O-CA 3.46Å; F56-P58 VanDerWaalsContact C-CD 3.45Å; F56-P58 WeakPolarHBondContact O-CD 3.28Å
59	D	71.8	Confident	79.8	Confident	146 Å²	146	58.5 Å²	58.5	78%	0.781	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	8	-172.8	-56.4	-52.9	0	0	0	113.6	F57	F57-D59 PolarHBondContact O-N 2.88Å
60	S	69.9	Low	80	Confident	28 Å²	28	58.1 Å²	58.1	20%	0.196	29%	0.286	C	S	.	.	S	Bend	trans	-128.3	157.5	-179.9	77.6	0	0	0	0	113.9	F57 A62 L132	F57-S60 WeakPolarHBondContact CB-OG 3.17Å; S60-A62 PolarHBondContact O-N 3.08Å; S60-L132 VanDerWaalsContact CB-O 3.24Å; S60-L132 WeakPolarHBondContact CB-O 3.44Å
61	D	77.7	Confident	80.3	Confident	82 Å²	82	59.5 Å²	59.5	44%	0.439	29%	0.291	S	S	.	.			trans	-80.5	64.4	173.4	-176.3	13.9	0	0	0	110.2	N63 K131	D61-N63 PolarHBondContact O-N 3.31Å; D61-K131 HydrophobicContact CB-CB 4.36Å; D61-K131 PolarHBondContact N-O 2.84Å
62	A	78.8	Confident	80.5	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.017	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-2.3	-178.6	0	0	0	0	0	113.9	F57 S60 T64 Y65 A66 L132	F57-A62 HydrophobicContact CB-CB 3.85Å; F57-A62 HydrophobicContact CD2-CB 4.44Å; F57-A62 HydrophobicContact CG-CB 4.34Å; S60-A62 PolarHBondContact O-N 3.08Å; A62-T64 PolarHBondContact O-N 3.17Å; A62-Y65 PolarHBondContact O-N 2.93Å; A62-A66 VanDerWaalsContact O-CB 3.23Å; A62-A66 WeakPolarHBondContact O-CB 3.27Å; A62-A66 PolarHBondContact O-N 3.45Å; A62-L132 VanDerWaalsContact CA-CD2 3.47Å; A62-L132 HydrophobicContact CB-CD2 3.54Å
63	N	83.5	Confident	80.8	Confident	45 Å²	45	54.2 Å²	54.2	24%	0.241	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-42.2	-172.1	-164.7	40.3	0	0	0	111.8	Q50 R54 D61 Q67	Q50-N63 PolarHBondContact NE2-OD1 3.12Å; Q50-N63 PolarHBondContact OE1-OD1 3.32Å; R54-N63 PolarHBondContact NH2-OD1 2.83Å; D61-N63 PolarHBondContact O-N 3.31Å; N63-Q67 VanDerWaalsContact O-CG 3.29Å; N63-Q67 WeakPolarHBondContact O-CG 3.41Å; N63-Q67 PolarHBondContact O-N 3.43Å
64	T	85.3	Confident	81.5	Confident	40 Å²	40	52.8 Å²	52.8	25%	0.245	26%	0.258	C	S	.	.	H	α-helix	trans	-69.3	-45.4	-179.2	-44	0	0	0	0	110.5	A62 A66 Q67 H68 S128	A62-T64 PolarHBondContact O-N 3.17Å; T64-A66 PolarHBondContact O-N 3.13Å; T64-Q67 WeakPolarHBondContact O-CB 3.44Å; T64-Q67 PolarHBondContact O-N 2.94Å; T64-Q67 VanDerWaalsContact O-N 3.13Å; T64-H68 PolarHBondContact O-CD2 3.32Å; T64-H68 VanDerWaalsContact O-CD2 3.31Å; T64-H68 PolarHBondContact O-N 3.41Å; T64-S128 WeakPolarHBondContact CG2-OG 3.39Å
65	Y	85	Confident	81.7	Confident	22 Å²	22	52.7 Å²	52.7	9%	0.086	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-43.7	177	-174.9	-105.4	0	0	0	112.5	Y53 A62 Q67 H68 V69 L108 I129 L132	Y53-Y65 AromaticContact CE1-CD1 3.92Å; Y53-Y65 HydrophobicContact CE1-CD1 3.92Å; Y53-Y65 HydrophobicContact CE1-CE1 4.1Å; A62-Y65 PolarHBondContact O-N 2.93Å; Y65-Q67 PolarHBondContact O-N 3.3Å; Y65-Q67 VanDerWaalsContact O-N 3.17Å; Y65-H68 PolarHBondContact O-N 2.91Å; Y65-H68 VanDerWaalsContact O-N 3.08Å; Y65-V69 HydrophobicContact CD1-CG2 3.81Å; Y65-V69 HydrophobicContact CE1-CG2 3.44Å; Y65-V69 VanDerWaalsContact CE1-CG2 3.44Å; Y65-V69 HydrophobicContact CE2-CG2 4.23Å; Y65-V69 HydrophobicContact CG-CG2 4.36Å; Y65-V69 WeakPolarHBondContact O-CG2 3.39Å; Y65-V69 PolarHBondContact O-N 3.31Å; Y65-L108 HydrophobicContact CE2-CD2 4.12Å; Y65-I129 HydrophobicContact CD2-CG1 3.8Å; Y65-I129 HydrophobicContact CE2-CD1 4.27Å; Y65-I129 HydrophobicContact CE2-CG1 3.53Å; Y65-L132 HydrophobicContact CD1-CD1 3.64Å; Y65-L132 HydrophobicContact CD1-CD2 4.32Å; Y65-L132 HydrophobicContact CD1-CG 4.47Å; Y65-L132 HydrophobicContact CD2-CD1 4.13Å; Y65-L132 HydrophobicContact CE1-CD1 3.95Å; Y65-L132 HydrophobicContact CE2-CD1 4.43Å; Y65-L132 HydrophobicContact CG-CD1 3.72Å; Y65-L132 HydrophobicContact CG-CD2 4.33Å; Y65-L132 HydrophobicContact CG-CG 4.29Å
66	A	85.8	Confident	82.2	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-30.9	176.4	0	0	0	0	0	112.5	F49 Q50 Y53 A62 T64 F70	F49-A66 WeakPolarHBondContact CE1-O 3.18Å; Q50-A66 HydrophobicContact CG-CB 4.33Å; Y53-A66 HydrophobicContact CD1-CB 3.87Å; Y53-A66 HydrophobicContact CD2-CB 4.22Å; Y53-A66 HydrophobicContact CG-CB 3.65Å; A62-A66 VanDerWaalsContact O-CB 3.23Å; A62-A66 WeakPolarHBondContact O-CB 3.27Å; A62-A66 PolarHBondContact O-N 3.45Å; T64-A66 PolarHBondContact O-N 3.13Å; A66-F70 VanDerWaalsContact O-CB 3.27Å; A66-F70 WeakPolarHBondContact O-CB 2.93Å; A66-F70 PolarHBondContact O-N 3.32Å
67	Q	88.5	Confident	83	Confident	60 Å²	60	45.9 Å²	45.9	28%	0.28	25%	0.249	S	C	.	.	H	α-helix	trans	-70.7	-42.4	175.3	-65.7	-177.8	44.1	0	0	112.7	N63 T64 Y65 F70 R71	N63-Q67 VanDerWaalsContact O-CG 3.29Å; N63-Q67 WeakPolarHBondContact O-CG 3.41Å; N63-Q67 PolarHBondContact O-N 3.43Å; T64-Q67 WeakPolarHBondContact O-CB 3.44Å; T64-Q67 PolarHBondContact O-N 2.94Å; T64-Q67 VanDerWaalsContact O-N 3.13Å; Y65-Q67 PolarHBondContact O-N 3.3Å; Y65-Q67 VanDerWaalsContact O-N 3.17Å; Q67-F70 PolarHBondContact O-N 2.9Å; Q67-R71 WeakPolarHBondContact O-CB 3.39Å; Q67-R71 PolarHBondContact O-N 2.88Å
68	H	89.3	Confident	84	Confident	12 Å²	12	46.5 Å²	46.5	6%	0.056	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-42.3	175.7	-63.4	-50.9	0	0	0	111.3	T64 Y65 R71 S72 L108 E124 I125 S128	T64-H68 PolarHBondContact O-CD2 3.32Å; T64-H68 VanDerWaalsContact O-CD2 3.31Å; T64-H68 PolarHBondContact O-N 3.41Å; Y65-H68 PolarHBondContact O-N 2.91Å; Y65-H68 VanDerWaalsContact O-N 3.08Å; H68-R71 PolarHBondContact ND1-NH1 3.23Å; H68-R71 PolarHBondContact ND1-NH2 2.66Å; H68-R71 PolarHBondContact O-N 3.48Å; H68-S72 WeakPolarHBondContact O-CB 3.28Å; H68-S72 PolarHBondContact O-N 3.43Å; H68-L108 HydrophobicContact CB-CD1 3.67Å; H68-E124 IonicContact CE1-OE1 2.74Å; H68-E124 PolarHBondContact CE1-OE1 3.32Å; H68-E124 IonicContact ND1-OE1 3.14Å; H68-E124 IonicContact NE2-OE1 2.86Å; H68-I125 HydrophobicContact CB-CD1 3.82Å; H68-I125 VanDerWaalsContact CG-CD1 3.43Å; H68-S128 PolarHBondContact CD2-OG 3.39Å; H68-S128 VanDerWaalsContact CD2-OG 3.23Å; H68-S128 PolarHBondContact NE2-OG 3.04Å; H68-S128 VanDerWaalsContact NE2-OG 3.13Å
69	V	86.8	Confident	84.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-47.1	175.1	174.6	0	0	0	0	110.6	F49 Y53 Y65 R71 S72 F73 W104 L108	F49-V69 HydrophobicContact CE1-CB 4.26Å; F49-V69 HydrophobicContact CE1-CG1 3.98Å; F49-V69 HydrophobicContact CZ-CG1 3.73Å; Y53-V69 HydrophobicContact CE2-CG1 4.3Å; Y65-V69 HydrophobicContact CD1-CG2 3.81Å; Y65-V69 HydrophobicContact CE1-CG2 3.44Å; Y65-V69 VanDerWaalsContact CE1-CG2 3.44Å; Y65-V69 HydrophobicContact CE2-CG2 4.23Å; Y65-V69 HydrophobicContact CG-CG2 4.36Å; Y65-V69 WeakPolarHBondContact O-CG2 3.39Å; Y65-V69 PolarHBondContact O-N 3.31Å; V69-R71 PolarHBondContact O-N 3.42Å; V69-S72 PolarHBondContact O-N 3.27Å; V69-S72 PolarHBondContact O-OG 3.2Å; V69-F73 HydrophobicContact CG1-CD2 3.73Å; V69-F73 HydrophobicContact CG1-CE2 3.26Å; V69-F73 HydrophobicContact CG1-CZ 4.2Å; V69-F73 WeakPolarHBondContact O-CD2 3.47Å; V69-F73 PolarHBondContact O-N 3.03Å; V69-W104 HydrophobicContact CG1-CZ2 4.27Å; V69-W104 HydrophobicContact CG2-CZ2 4.31Å; V69-L108 HydrophobicContact CG2-CD1 4.14Å
70	F	88.6	Confident	85.7	Confident	9 Å²	9	38.3 Å²	38.3	4%	0.039	22%	0.216	C	C	.	.	H	α-helix	trans	-56	-50	175.5	-177.5	-84.4	0	0	0	111.4	K46 F49 A66 Q67 S72 F73 D74 G79 L81	K46-F70 HydrophobicContact CB-CD1 4.46Å; K46-F70 HydrophobicContact CB-CE1 4.22Å; K46-F70 HydrophobicContact CB-CE2 4.28Å; K46-F70 HydrophobicContact CB-CZ 4.1Å; K46-F70 HydrophobicContact CG-CD1 4.36Å; K46-F70 HydrophobicContact CG-CG 4.44Å; F49-F70 HydrophobicContact CB-CD2 3.61Å; F49-F70 HydrophobicContact CB-CE2 4.1Å; F49-F70 HydrophobicContact CD1-CB 3.88Å; F49-F70 AromaticContact CD1-CD2 3.98Å; F49-F70 HydrophobicContact CD1-CD2 3.98Å; F49-F70 HydrophobicContact CD1-CG 4.45Å; F49-F70 HydrophobicContact CD2-CD2 4.28Å; F49-F70 HydrophobicContact CE1-CB 4.12Å; F49-F70 HydrophobicContact CG-CB 4.46Å; F49-F70 AromaticContact CG-CD2 3.71Å; F49-F70 HydrophobicContact CG-CD2 3.71Å; A66-F70 VanDerWaalsContact O-CB 3.27Å; A66-F70 WeakPolarHBondContact O-CB 2.93Å; A66-F70 PolarHBondContact O-N 3.32Å; Q67-F70 PolarHBondContact O-N 2.9Å; F70-S72 VanDerWaalsContact C-N 3.28Å; F70-S72 PolarHBondContact O-N 2.91Å; F70-F73 PolarHBondContact O-N 3.36Å; F70-D74 HydrophobicContact CD1-CB 4.3Å; F70-D74 HydrophobicContact CE1-CB 4.02Å; F70-D74 PolarHBondContact O-N 2.88Å; F70-G79 WeakPolarHBondContact CZ-O 3.3Å; F70-L81 HydrophobicContact CD2-CD1 3.84Å; F70-L81 HydrophobicContact CD2-CD2 4.48Å; F70-L81 HydrophobicContact CD2-CG 3.91Å; F70-L81 HydrophobicContact CE2-CD1 3.96Å; F70-L81 HydrophobicContact CE2-CD2 4.3Å; F70-L81 HydrophobicContact CE2-CG 3.57Å; F70-L81 HydrophobicContact CZ-CD2 4.42Å; F70-L81 HydrophobicContact CZ-CG 4.04Å
71	R	90.1	Very high	86.7	Confident	44 Å²	44	37 Å²	37	17%	0.166	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-40.3	177.9	179	-168.3	66.5	-143.7	-1	112.4	Q67 H68 V69 F73 D74 L108 V111 E124	Q67-R71 WeakPolarHBondContact O-CB 3.39Å; Q67-R71 PolarHBondContact O-N 2.88Å; H68-R71 PolarHBondContact ND1-NH1 3.23Å; H68-R71 PolarHBondContact ND1-NH2 2.66Å; H68-R71 PolarHBondContact O-N 3.48Å; V69-R71 PolarHBondContact O-N 3.42Å; R71-F73 PolarHBondContact O-N 2.93Å; R71-D74 PolarHBondContact O-N 3.46Å; R71-L108 PolarHBondContact NH2-O 2.82Å; R71-V111 WeakPolarHBondContact CD-O 3.28Å; R71-V111 VanDerWaalsContact NH1-CG1 3.3Å; R71-V111 VanDerWaalsContact NH2-CG2 3.33Å; R71-E124 IonicContact NH1-OE1 2.83Å
72	S	86.6	Confident	87.3	Confident	12 Å²	12	35.1 Å²	35.1	8%	0.084	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-20.2	179.5	74.5	0	0	0	0	113.2	H68 V69 F70 W104	H68-S72 WeakPolarHBondContact O-CB 3.28Å; H68-S72 PolarHBondContact O-N 3.43Å; V69-S72 PolarHBondContact O-N 3.27Å; V69-S72 PolarHBondContact O-OG 3.2Å; F70-S72 VanDerWaalsContact C-N 3.28Å; F70-S72 PolarHBondContact O-N 2.91Å; S72-W104 PolarHBondContact OG-NE1 3.23Å
73	F	85.9	Confident	87.7	Confident	13 Å²	13	35.6 Å²	35.6	6%	0.057	20%	0.199	C	C	.	.	H	α-helix	trans	-101.5	-25.8	178.1	-64.3	-44.9	0	0	0	113.7	F49 V69 F70 R71 T75 L81 E85 A89 T93 W104	F49-F73 HydrophobicContact CZ-CD2 4.47Å; V69-F73 HydrophobicContact CG1-CD2 3.73Å; V69-F73 HydrophobicContact CG1-CE2 3.26Å; V69-F73 HydrophobicContact CG1-CZ 4.2Å; V69-F73 WeakPolarHBondContact O-CD2 3.47Å; V69-F73 PolarHBondContact O-N 3.03Å; F70-F73 PolarHBondContact O-N 3.36Å; R71-F73 PolarHBondContact O-N 2.93Å; F73-T75 VanDerWaalsContact C-N 3.28Å; F73-T75 PolarHBondContact O-N 2.96Å; F73-L81 VanDerWaalsContact C-CD2 3.43Å; F73-L81 HydrophobicContact CB-CD1 4.21Å; F73-L81 HydrophobicContact CB-CD2 3.7Å; F73-E85 WeakPolarHBondContact O-CB 3.47Å; F73-E85 WeakPolarHBondContact O-CG 3.24Å; F73-A89 HydrophobicContact CB-CB 4.3Å; F73-A89 HydrophobicContact CD1-CB 3.51Å; F73-A89 HydrophobicContact CD2-CB 3.45Å; F73-A89 VanDerWaalsContact CD2-CB 3.45Å; F73-A89 HydrophobicContact CE1-CB 3.51Å; F73-A89 HydrophobicContact CE2-CB 3.43Å; F73-A89 VanDerWaalsContact CE2-CB 3.43Å; F73-A89 HydrophobicContact CG-CB 3.5Å; F73-A89 VanDerWaalsContact CG-CB 3.5Å; F73-A89 HydrophobicContact CZ-CB 3.48Å; F73-A89 VanDerWaalsContact CZ-CB 3.48Å; F73-T93 HydrophobicContact CZ-CG2 4.34Å; F73-W104 AromaticContact CD1-NE1 3.66Å; F73-W104 AromaticContact CE1-CD1 3.38Å; F73-W104 HydrophobicContact CE1-CD2 4.49Å; F73-W104 AromaticContact CE1-CE2 3.75Å; F73-W104 HydrophobicContact CE1-CG 4.27Å; F73-W104 HydrophobicContact CE1-CZ2 4.43Å; F73-W104 AromaticContact CE1-NE1 2.99Å; F73-W104 HydrophobicContact CE2-CZ2 4.42Å; F73-W104 AromaticContact CZ-CE2 3.63Å; F73-W104 AromaticContact CZ-CZ2 3.86Å; F73-W104 HydrophobicContact CZ-CZ2 3.86Å; F73-W104 AromaticContact CZ-NE1 3.32Å; F73-W104 VanDerWaalsContact CZ-NE1 3.32Å
74	D	89.1	Confident	87.9	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.043	20%	0.201	C	C	.	.			trans	-75.1	82.5	172.4	-177.4	-1	0	0	0	108.4	F70 R71 N76 D77 D78 G79 L81 K113	F70-D74 HydrophobicContact CD1-CB 4.3Å; F70-D74 HydrophobicContact CE1-CB 4.02Å; F70-D74 PolarHBondContact O-N 2.88Å; R71-D74 PolarHBondContact O-N 3.46Å; D74-N76 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact OD1-OD1 3.31Å; D74-D77 VanDerWaalsContact OD1-CA 3.24Å; D74-D77 WeakPolarHBondContact OD1-CA 3.32Å; D74-D77 PolarHBondContact OD1-N 3.42Å; D74-D78 PolarHBondContact OD1-N 3.21Å; D74-D78 VanDerWaalsContact OD1-N 3.15Å; D74-G79 VanDerWaalsContact OD2-CA 3.26Å; D74-G79 WeakPolarHBondContact OD2-CA 3.25Å; D74-G79 PolarHBondContact OD2-N 3.31Å; D74-L81 HydrophobicContact CB-CD2 3.81Å; D74-L81 VanDerWaalsContact N-CD2 3.28Å; D74-K113 PolarHBondContact O-NZ 3.05Å
75	T	83.1	Confident	88	Confident	106 Å²	106	35.1 Å²	35.1	65%	0.65	19%	0.191	S	C	*	.	S	Bend	trans	-77.1	-24.4	-172.5	56.8	0	0	0	0	112.5	F73 E85	F73-T75 VanDerWaalsContact C-N 3.28Å; F73-T75 PolarHBondContact O-N 2.96Å; T75-E85 PolarHBondContact N-OE1 2.96Å; T75-E85 PolarHBondContact OG1-OE1 2.93Å
76	N	87.4	Confident	88	Confident	80 Å²	80	36.7 Å²	36.7	43%	0.428	20%	0.198	S	C	.	.	S	Bend	trans	-96.6	-3.4	-179.3	69.4	17.6	0	0	0	113.3	D74 D78	D74-N76 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact OD1-OD1 3.31Å; N76-D78 PolarHBondContact ND2-OD2 3.05Å; N76-D78 PolarHBondContact O-N 2.86Å; N76-D78 WeakPolarHBondContact OD1-CB 3.34Å; N76-D78 PolarHBondContact OD1-N 3.45Å; N76-D78 PolarHBondContact OD1-OD2 3.33Å
77	D	86.6	Confident	87.9	Confident	102 Å²	102	36.7 Å²	36.7	55%	0.545	20%	0.197	S	C	.	.			trans	55.7	33.9	-179	-70.3	-59.4	0	0	0	113.2	D74 G79 K113	D74-D77 VanDerWaalsContact OD1-CA 3.24Å; D74-D77 WeakPolarHBondContact OD1-CA 3.32Å; D74-D77 PolarHBondContact OD1-N 3.42Å; D77-G79 VanDerWaalsContact C-N 3.29Å; D77-K113 IonicContact OD1-NZ 2.99Å; D77-K113 PolarHBondContact OD1-NZ 2.82Å; D77-K113 IonicContact OD2-NZ 3.7Å; D77-K113 PolarHBondContact OD2-NZ 2.92Å
78	D	90.9	Very high	87.4	Confident	69 Å²	69	36 Å²	36	37%	0.369	20%	0.195	S	C	.	.	S	Bend	trans	-85	-3.5	178.6	84.3	18.5	0	0	0	113.3	R43 D74 N76 T80	R43-D78 IonicContact CZ-OD2 3.6Å; R43-D78 IonicContact NH1-OD1 3.71Å; R43-D78 IonicContact NH1-OD2 2.71Å; R43-D78 PolarHBondContact NH1-OD2 3.21Å; R43-D78 IonicContact NH2-OD2 3.83Å; D74-D78 PolarHBondContact OD1-N 3.21Å; D74-D78 VanDerWaalsContact OD1-N 3.15Å; N76-D78 PolarHBondContact ND2-OD2 3.05Å; N76-D78 PolarHBondContact O-N 2.86Å; N76-D78 WeakPolarHBondContact OD1-CB 3.34Å; N76-D78 PolarHBondContact OD1-N 3.45Å; N76-D78 PolarHBondContact OD1-OD2 3.33Å; D78-T80 VanDerWaalsContact C-N 3.27Å; D78-T80 WeakPolarHBondContact OD1-CA 3.47Å; D78-T80 WeakPolarHBondContact OD1-CB 3.23Å; D78-T80 PolarHBondContact OD1-N 3.46Å; D78-T80 PolarHBondContact OD1-OG1 2.69Å
79	G	89.8	Confident	86.9	Confident	40 Å²	40	35.7 Å²	35.7	41%	0.412	20%	0.195	S	C	.	.	S	Bend	trans	80.4	7.9	179	0	0	0	0	0	113.5	F70 D74 D77	F70-G79 WeakPolarHBondContact CZ-O 3.3Å; D74-G79 VanDerWaalsContact OD2-CA 3.26Å; D74-G79 WeakPolarHBondContact OD2-CA 3.25Å; D74-G79 PolarHBondContact OD2-N 3.31Å; D77-G79 VanDerWaalsContact C-N 3.29Å
80	T	92	Very high	86.3	Confident	29 Å²	29	38 Å²	38	18%	0.178	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.7	176.4	70.7	0	0	0	0	110.8	R43 I44 D78	R43-T80 HydrophobicContact CB-CG2 4.38Å; R43-T80 WeakPolarHBondContact CD-OG1 3.45Å; R43-T80 PolarHBondContact NH1-OG1 2.84Å; I44-T80 CarbonylContact O-C 3.58Å; I44-T80 VanDerWaalsContact O-CA 3.31Å; I44-T80 WeakPolarHBondContact O-CA 3.37Å; D78-T80 VanDerWaalsContact C-N 3.27Å; D78-T80 WeakPolarHBondContact OD1-CA 3.47Å; D78-T80 WeakPolarHBondContact OD1-CB 3.23Å; D78-T80 PolarHBondContact OD1-N 3.46Å; D78-T80 PolarHBondContact OD1-OG1 2.69Å
81	L	90.5	Very high	85.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.6	167	-57.5	177.7	0	0	0	109	R43 I44 F49 F70 F73 D74 E85	R43-L81 CarbonylContact C-O 3.4Å; R43-L81 WeakPolarHBondContact CA-O 3.41Å; I44-L81 HydrophobicContact CB-CB 4.29Å; I44-L81 PolarHBondContact N-O 3.42Å; I44-L81 PolarHBondContact O-N 3Å; F49-L81 HydrophobicContact CD2-CD1 3.9Å; F49-L81 HydrophobicContact CE2-CD1 4.03Å; F70-L81 HydrophobicContact CD2-CD1 3.84Å; F70-L81 HydrophobicContact CD2-CD2 4.48Å; F70-L81 HydrophobicContact CD2-CG 3.91Å; F70-L81 HydrophobicContact CE2-CD1 3.96Å; F70-L81 HydrophobicContact CE2-CD2 4.3Å; F70-L81 HydrophobicContact CE2-CG 3.57Å; F70-L81 HydrophobicContact CZ-CD2 4.42Å; F70-L81 HydrophobicContact CZ-CG 4.04Å; F73-L81 VanDerWaalsContact C-CD2 3.43Å; F73-L81 HydrophobicContact CB-CD1 4.21Å; F73-L81 HydrophobicContact CB-CD2 3.7Å; D74-L81 HydrophobicContact CB-CD2 3.81Å; D74-L81 VanDerWaalsContact N-CD2 3.28Å; L81-E85 WeakPolarHBondContact CA-OE2 3.46Å; L81-E85 HydrophobicContact CB-CB 4.36Å; L81-E85 HydrophobicContact CD2-CB 4.17Å
82	D	90.3	Very high	84.6	Confident	44 Å²	44	37.6 Å²	37.6	24%	0.235	21%	0.207	C	C	.	.			trans	-75	176.7	168	79.1	25.1	0	0	0	111.5	K84 E85 Y86	D82-K84 VanDerWaalsContact C-N 3.29Å; D82-K84 PolarHBondContact O-N 3.06Å; D82-K84 WeakPolarHBondContact OD1-CA 3.45Å; D82-K84 VanDerWaalsContact OD1-CB 3.3Å; D82-K84 WeakPolarHBondContact OD1-CB 3.16Å; D82-K84 PolarHBondContact OD1-N 3.11Å; D82-E85 PolarHBondContact N-OE2 3.36Å; D82-E85 PolarHBondContact O-N 2.91Å; D82-E85 PolarHBondContact OD1-N 3Å; D82-Y86 VanDerWaalsContact O-CB 3.31Å; D82-Y86 WeakPolarHBondContact O-CB 3.42Å; D82-Y86 PolarHBondContact O-N 3.34Å
83	F	87.4	Confident	83.6	Confident	11 Å²	11	40.3 Å²	40.3	5%	0.048	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-36.2	-179.6	178	-111.3	0	0	0	113.2	I13 L17 I28 W31 Y32 F35 I87	I13-F83 HydrophobicContact CG2-CD1 4.44Å; L17-F83 HydrophobicContact CD1-CD1 4.22Å; L17-F83 HydrophobicContact CD1-CE1 3.83Å; I28-F83 HydrophobicContact CG2-CE1 3.95Å; I28-F83 HydrophobicContact CG2-CZ 4.24Å; I28-F83 WeakPolarHBondContact O-CZ 3.24Å; W31-F83 HydrophobicContact CB-CE2 4.31Å; W31-F83 HydrophobicContact CB-CZ 4.29Å; Y32-F83 VanDerWaalsContact CA-CZ 3.45Å; Y32-F83 VanDerWaalsContact CB-CZ 3.45Å; Y32-F83 HydrophobicContact CD2-CB 4.11Å; Y32-F83 AromaticContact CD2-CD1 3.49Å; Y32-F83 HydrophobicContact CD2-CD1 3.49Å; Y32-F83 VanDerWaalsContact CD2-CD1 3.49Å; Y32-F83 AromaticContact CD2-CD2 3.77Å; Y32-F83 HydrophobicContact CD2-CD2 3.77Å; Y32-F83 AromaticContact CD2-CE1 3.73Å; Y32-F83 HydrophobicContact CD2-CE1 3.73Å; Y32-F83 HydrophobicContact CD2-CE2 4.02Å; Y32-F83 AromaticContact CD2-CG 3.49Å; Y32-F83 HydrophobicContact CD2-CG 3.49Å; Y32-F83 VanDerWaalsContact CD2-CG 3.49Å; Y32-F83 AromaticContact CD2-CZ 4Å; Y32-F83 HydrophobicContact CD2-CZ 4Å; Y32-F83 HydrophobicContact CE2-CB 4.22Å; Y32-F83 HydrophobicContact CE2-CD1 4.19Å; Y32-F83 HydrophobicContact CE2-CG 4.1Å; Y32-F83 HydrophobicContact CG-CD1 4.39Å; Y32-F83 HydrophobicContact CG-CE1 4.21Å; Y32-F83 HydrophobicContact CG-CE2 4.45Å; Y32-F83 HydrophobicContact CG-CZ 4.24Å; F35-F83 HydrophobicContact CB-CD2 3.86Å; F35-F83 HydrophobicContact CB-CE2 4.03Å; F35-F83 HydrophobicContact CD1-CB 4.19Å; F35-F83 AromaticContact CD1-CD2 3.83Å; F35-F83 HydrophobicContact CD1-CD2 3.83Å; F35-F83 HydrophobicContact CD1-CG 4.44Å; F35-F83 HydrophobicContact CD2-CD2 4.12Å; F35-F83 HydrophobicContact CE1-CB 3.95Å; F35-F83 HydrophobicContact CE1-CD2 4.34Å; F35-F83 AromaticContact CG-CD2 3.7Å; F35-F83 HydrophobicContact CG-CD2 3.7Å; F35-F83 HydrophobicContact CG-CE2 4.36Å; F35-F83 HydrophobicContact CZ-CB 4.34Å; F83-I87 HydrophobicContact CD1-CG1 4.28Å; F83-I87 HydrophobicContact CD2-CG1 3.98Å; F83-I87 HydrophobicContact CE1-CG1 3.81Å; F83-I87 HydrophobicContact CE2-CD1 3.64Å; F83-I87 HydrophobicContact CE2-CG1 3.45Å; F83-I87 VanDerWaalsContact CE2-CG1 3.45Å; F83-I87 HydrophobicContact CG-CG1 4.37Å; F83-I87 HydrophobicContact CZ-CD1 3.63Å; F83-I87 HydrophobicContact CZ-CG1 3.36Å; F83-I87 WeakPolarHBondContact O-CB 3.37Å; F83-I87 VanDerWaalsContact O-CG1 3.24Å; F83-I87 WeakPolarHBondContact O-CG1 3.42Å; F83-I87 PolarHBondContact O-N 3.37Å
84	K	86.9	Confident	82.6	Confident	66 Å²	66	43.3 Å²	43.3	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-66.7	-49.1	179.9	168.7	177.3	162.9	167.2	0	109.5	D16 L17 D82 Y86 I87 I88	D16-K84 IonicContact OD1-NZ 2.68Å; D16-K84 PolarHBondContact OD1-NZ 2.9Å; D16-K84 WeakPolarHBondContact OD2-CD 3.37Å; D16-K84 WeakPolarHBondContact OD2-CE 3.29Å; D16-K84 IonicContact OD2-NZ 2.88Å; D16-K84 PolarHBondContact OD2-NZ 2.64Å; L17-K84 HydrophobicContact CD2-CB 4.44Å; L17-K84 HydrophobicContact CD2-CG 4.02Å; D82-K84 VanDerWaalsContact C-N 3.29Å; D82-K84 PolarHBondContact O-N 3.06Å; D82-K84 WeakPolarHBondContact OD1-CA 3.45Å; D82-K84 VanDerWaalsContact OD1-CB 3.3Å; D82-K84 WeakPolarHBondContact OD1-CB 3.16Å; D82-K84 PolarHBondContact OD1-N 3.11Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.22Å; K84-I87 PolarHBondContact O-N 3.48Å; K84-I88 HydrophobicContact CD-CD1 4.46Å; K84-I88 HydrophobicContact CG-CD1 3.74Å; K84-I88 VanDerWaalsContact O-CG1 3.32Å; K84-I88 WeakPolarHBondContact O-CG1 3.46Å; K84-I88 PolarHBondContact O-N 3.25Å
85	E	88.2	Confident	81.1	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-43.1	178.3	-68.8	172.3	140.2	0	0	111.5	F73 T75 L81 D82 I87 I88 A89	F73-E85 WeakPolarHBondContact O-CB 3.47Å; F73-E85 WeakPolarHBondContact O-CG 3.24Å; T75-E85 PolarHBondContact N-OE1 2.96Å; T75-E85 PolarHBondContact OG1-OE1 2.93Å; L81-E85 WeakPolarHBondContact CA-OE2 3.46Å; L81-E85 HydrophobicContact CB-CB 4.36Å; L81-E85 HydrophobicContact CD2-CB 4.17Å; D82-E85 PolarHBondContact N-OE2 3.36Å; D82-E85 PolarHBondContact O-N 2.91Å; D82-E85 PolarHBondContact OD1-N 3Å; E85-I87 PolarHBondContact O-N 2.96Å; E85-I88 PolarHBondContact O-N 3.38Å; E85-A89 VanDerWaalsContact O-CB 3.28Å; E85-A89 WeakPolarHBondContact O-CB 3.42Å; E85-A89 PolarHBondContact O-N 3.34Å
86	Y	84.6	Confident	79.7	Confident	55 Å²	55	42.1 Å²	42.1	22%	0.216	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-42.5	175.3	175.8	-106	0	0	0	113.5	F35 I44 D82 K84 A89 L90	F35-Y86 AromaticContact CD2-CD1 3.6Å; F35-Y86 HydrophobicContact CD2-CD1 3.6Å; F35-Y86 AromaticContact CD2-CE1 3.85Å; F35-Y86 HydrophobicContact CD2-CE1 3.85Å; F35-Y86 HydrophobicContact CD2-CG 4.06Å; F35-Y86 AromaticContact CE2-CD1 3.88Å; F35-Y86 HydrophobicContact CE2-CD1 3.88Å; F35-Y86 HydrophobicContact CE2-CD2 4.48Å; F35-Y86 HydrophobicContact CE2-CE1 4.47Å; F35-Y86 AromaticContact CE2-CG 3.86Å; F35-Y86 HydrophobicContact CE2-CG 3.86Å; I44-Y86 HydrophobicContact CD1-CD2 3.41Å; I44-Y86 VanDerWaalsContact CD1-CD2 3.41Å; I44-Y86 HydrophobicContact CD1-CE2 3.7Å; I44-Y86 HydrophobicContact CD1-CG 3.99Å; D82-Y86 VanDerWaalsContact O-CB 3.31Å; D82-Y86 WeakPolarHBondContact O-CB 3.42Å; D82-Y86 PolarHBondContact O-N 3.34Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.22Å; Y86-A89 WeakPolarHBondContact O-CB 3.49Å; Y86-A89 PolarHBondContact O-N 2.91Å; Y86-L90 HydrophobicContact CD1-CD1 4.03Å; Y86-L90 HydrophobicContact CD2-CD1 4.26Å; Y86-L90 HydrophobicContact CE1-CD1 3.4Å; Y86-L90 VanDerWaalsContact CE1-CD1 3.4Å; Y86-L90 HydrophobicContact CE2-CD1 3.68Å; Y86-L90 HydrophobicContact CE2-CG 4.41Å; Y86-L90 HydrophobicContact CG-CD1 4.43Å; Y86-L90 PolarHBondContact O-N 3.07Å; Y86-L90 WeakPolarHBondContact OH-CD1 3.5Å
87	I	82.8	Confident	78.6	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70	-40.9	178.6	-69.7	-70.7	0	0	0	111.5	L17 T21 F23 W31 F83 K84 E85 A89 L90 H91	L17-I87 HydrophobicContact CD1-CB 4.32Å; L17-I87 HydrophobicContact CD1-CG1 4.4Å; L17-I87 HydrophobicContact CD1-CG2 4.19Å; L17-I87 HydrophobicContact CD2-CB 4.01Å; L17-I87 HydrophobicContact CD2-CG2 3.76Å; L17-I87 HydrophobicContact CG-CG2 4.5Å; T21-I87 HydrophobicContact CG2-CG2 4.11Å; F23-I87 HydrophobicContact CD2-CG2 4.01Å; F23-I87 HydrophobicContact CE2-CG2 4.2Å; W31-I87 HydrophobicContact CB-CD1 3.76Å; W31-I87 HydrophobicContact CD2-CD1 4.01Å; W31-I87 HydrophobicContact CE3-CD1 3.36Å; W31-I87 HydrophobicContact CG-CD1 4.22Å; W31-I87 HydrophobicContact CZ3-CD1 4.14Å; F83-I87 HydrophobicContact CD1-CG1 4.28Å; F83-I87 HydrophobicContact CD2-CG1 3.98Å; F83-I87 HydrophobicContact CE1-CG1 3.81Å; F83-I87 HydrophobicContact CE2-CD1 3.64Å; F83-I87 HydrophobicContact CE2-CG1 3.45Å; F83-I87 VanDerWaalsContact CE2-CG1 3.45Å; F83-I87 HydrophobicContact CG-CG1 4.37Å; F83-I87 HydrophobicContact CZ-CD1 3.63Å; F83-I87 HydrophobicContact CZ-CG1 3.36Å; F83-I87 WeakPolarHBondContact O-CB 3.37Å; F83-I87 VanDerWaalsContact O-CG1 3.24Å; F83-I87 WeakPolarHBondContact O-CG1 3.42Å; F83-I87 PolarHBondContact O-N 3.37Å; K84-I87 PolarHBondContact O-N 3.48Å; E85-I87 PolarHBondContact O-N 2.96Å; I87-A89 VanDerWaalsContact C-N 3.32Å; I87-L90 PolarHBondContact O-N 3.09Å; I87-H91 WeakPolarHBondContact O-CB 3.43Å; I87-H91 PolarHBondContact O-N 3.3Å
88	I	79.2	Confident	77.7	Confident	47 Å²	47	42.2 Å²	42.2	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-45.8	175	-68.5	169.8	0	0	0	109.1	L17 K84 E85 L90 H91 M92	L17-I88 HydrophobicContact CD2-CG1 4.1Å; K84-I88 HydrophobicContact CD-CD1 4.46Å; K84-I88 HydrophobicContact CG-CD1 3.74Å; K84-I88 VanDerWaalsContact O-CG1 3.32Å; K84-I88 WeakPolarHBondContact O-CG1 3.46Å; K84-I88 PolarHBondContact O-N 3.25Å; E85-I88 PolarHBondContact O-N 3.38Å; I88-L90 VanDerWaalsContact C-N 3.32Å; I88-L90 PolarHBondContact O-N 3.39Å; I88-H91 WeakPolarHBondContact O-CB 3.29Å; I88-H91 PolarHBondContact O-N 3.29Å; I88-H91 VanDerWaalsContact O-N 3.09Å; I88-M92 HydrophobicContact CG2-CG 4.14Å; I88-M92 WeakPolarHBondContact O-CG 3.19Å; I88-M92 PolarHBondContact O-N 3.08Å
89	A	77.4	Confident	76.8	Confident	5 Å²	5	42.2 Å²	42.2	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-54.8	-45.9	175.7	0	0	0	0	0	113.1	F73 E85 Y86 I87 M92 T93	F73-A89 HydrophobicContact CB-CB 4.3Å; F73-A89 HydrophobicContact CD1-CB 3.51Å; F73-A89 HydrophobicContact CD2-CB 3.45Å; F73-A89 VanDerWaalsContact CD2-CB 3.45Å; F73-A89 HydrophobicContact CE1-CB 3.51Å; F73-A89 HydrophobicContact CE2-CB 3.43Å; F73-A89 VanDerWaalsContact CE2-CB 3.43Å; F73-A89 HydrophobicContact CG-CB 3.5Å; F73-A89 VanDerWaalsContact CG-CB 3.5Å; F73-A89 HydrophobicContact CZ-CB 3.48Å; F73-A89 VanDerWaalsContact CZ-CB 3.48Å; E85-A89 VanDerWaalsContact O-CB 3.28Å; E85-A89 WeakPolarHBondContact O-CB 3.42Å; E85-A89 PolarHBondContact O-N 3.34Å; Y86-A89 WeakPolarHBondContact O-CB 3.49Å; Y86-A89 PolarHBondContact O-N 2.91Å; I87-A89 VanDerWaalsContact C-N 3.32Å; A89-M92 PolarHBondContact O-N 3.33Å; A89-T93 WeakPolarHBondContact O-CG2 3.5Å; A89-T93 PolarHBondContact O-N 3.13Å; A89-T93 VanDerWaalsContact O-N 3.1Å; A89-T93 PolarHBondContact O-OG1 3.23Å
90	L	75.4	Confident	76	Confident	48 Å²	48	42 Å²	42	25%	0.251	25%	0.248	S	C	.	.	H	α-helix	trans	-69.7	-35.8	177.3	-74.8	170.8	0	0	0	112.5	W31 Y86 I87 I88 T93 A94	W31-L90 HydrophobicContact CE3-CD1 3.9Å; W31-L90 HydrophobicContact CH2-CB 4.24Å; W31-L90 HydrophobicContact CH2-CD1 4.16Å; W31-L90 HydrophobicContact CZ3-CB 3.68Å; W31-L90 HydrophobicContact CZ3-CD1 3.25Å; W31-L90 HydrophobicContact CZ3-CG 4.01Å; Y86-L90 HydrophobicContact CD1-CD1 4.03Å; Y86-L90 HydrophobicContact CD2-CD1 4.26Å; Y86-L90 HydrophobicContact CE1-CD1 3.4Å; Y86-L90 VanDerWaalsContact CE1-CD1 3.4Å; Y86-L90 HydrophobicContact CE2-CD1 3.68Å; Y86-L90 HydrophobicContact CE2-CG 4.41Å; Y86-L90 HydrophobicContact CG-CD1 4.43Å; Y86-L90 PolarHBondContact O-N 3.07Å; Y86-L90 WeakPolarHBondContact OH-CD1 3.5Å; I87-L90 PolarHBondContact O-N 3.09Å; I88-L90 VanDerWaalsContact C-N 3.32Å; I88-L90 PolarHBondContact O-N 3.39Å; L90-T93 WeakPolarHBondContact CA-OG1 3.45Å; L90-T93 PolarHBondContact O-OG1 3.07Å; L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.28Å
91	H	73.9	Confident	75.3	Confident	16 Å²	16	44.1 Å²	44.1	7%	0.074	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-45.5	174	-173.3	63.8	0	0	0	111.8	T21 K22 F23 I87 I88 A94 T95	T21-H91 HydrophobicContact CG2-CB 3.8Å; K22-H91 PolarHBondContact N-CE1 3.07Å; F23-H91 HydrophobicContact CE2-CB 3.8Å; F23-H91 AromaticContact CE2-ND1 3.85Å; F23-H91 HydrophobicContact CZ-CB 4.35Å; F23-H91 AromaticContact CZ-ND1 3.98Å; I87-H91 WeakPolarHBondContact O-CB 3.43Å; I87-H91 PolarHBondContact O-N 3.3Å; I88-H91 WeakPolarHBondContact O-CB 3.29Å; I88-H91 PolarHBondContact O-N 3.29Å; I88-H91 VanDerWaalsContact O-N 3.09Å; H91-A94 PolarHBondContact O-N 3.29Å; H91-T95 WeakPolarHBondContact CE1-CG2 3.42Å; H91-T95 PolarHBondContact CE1-OG1 2.96Å; H91-T95 WeakPolarHBondContact ND1-CG2 3.21Å; H91-T95 PolarHBondContact NE2-OG1 2.92Å; H91-T95 WeakPolarHBondContact O-CB 3.34Å; H91-T95 WeakPolarHBondContact O-CG2 3.4Å; H91-T95 PolarHBondContact O-N 2.91Å; H91-T95 PolarHBondContact O-OG1 3.03Å
92	M	68.4	Low	75	Confident	28 Å²	28	44.2 Å²	44.2	14%	0.138	26%	0.255	C	S	.	.	H	α-helix	trans	-68.4	-37.3	-176.2	-66.2	-63.3	-85.2	0	0	112.1	I88 A89 S100 W104	I88-M92 HydrophobicContact CG2-CG 4.14Å; I88-M92 WeakPolarHBondContact O-CG 3.19Å; I88-M92 PolarHBondContact O-N 3.08Å; A89-M92 PolarHBondContact O-N 3.33Å; M92-S100 VanDerWaalsContact CE-C 3.47Å; M92-S100 WeakPolarHBondContact CE-O 3.44Å; M92-W104 HydrophobicContact CE-CB 3.53Å
93	T	65.3	Low	74.8	Confident	70 Å²	70	46.1 Å²	46.1	43%	0.429	26%	0.263	S	S	.	.	H	α-helix	trans	-77.3	-34.8	175.9	52.9	0	0	0	0	112.6	F73 A89 L90	F73-T93 HydrophobicContact CZ-CG2 4.34Å; A89-T93 WeakPolarHBondContact O-CG2 3.5Å; A89-T93 PolarHBondContact O-N 3.13Å; A89-T93 VanDerWaalsContact O-N 3.1Å; A89-T93 PolarHBondContact O-OG1 3.23Å; L90-T93 WeakPolarHBondContact CA-OG1 3.45Å; L90-T93 PolarHBondContact O-OG1 3.07Å
94	A	64.4	Low	74.6	Confident	76 Å²	76	47.6 Å²	47.6	63%	0.628	27%	0.268	S	S	*	.	H	α-helix	trans	-85.7	-25.1	-177.8	0	0	0	0	0	114.6	L90 H91	L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.28Å; H91-A94 PolarHBondContact O-N 3.29Å
95	T	59.6	Low	74.7	Confident	26 Å²	26	44.7 Å²	44.7	16%	0.16	26%	0.257	C	S	.	.			trans	-103.1	126.1	-173.4	67.7	0	0	0	0	113.6	H91 K97 K101	H91-T95 WeakPolarHBondContact CE1-CG2 3.42Å; H91-T95 PolarHBondContact CE1-OG1 2.96Å; H91-T95 WeakPolarHBondContact ND1-CG2 3.21Å; H91-T95 PolarHBondContact NE2-OG1 2.92Å; H91-T95 WeakPolarHBondContact O-CB 3.34Å; H91-T95 WeakPolarHBondContact O-CG2 3.4Å; H91-T95 PolarHBondContact O-N 2.91Å; H91-T95 PolarHBondContact O-OG1 3.03Å; T95-K97 VanDerWaalsContact C-N 3.31Å; T95-K97 PolarHBondContact O-N 3.18Å; T95-K97 VanDerWaalsContact O-N 3.14Å; T95-K101 WeakPolarHBondContact O-CE 3.45Å
96	G	53.1	Low	74.8	Confident	63 Å²	63	44.7 Å²	44.7	65%	0.649	26%	0.257	S	S	*	.			trans	-80.1	22.6	-167.7	0	0	0	0	0	117.5	T98	G96-T98 PolarHBondContact O-N 3.45Å
97	K	64.6	Low	75	Confident	119 Å²	119	44.6 Å²	44.6	52%	0.517	26%	0.264	S	S	.	.			trans	-79	113.3	172.7	-76.8	-168.7	178.1	-176.7	0	108.9	T95 T99 S100 K101	T95-K97 VanDerWaalsContact C-N 3.31Å; T95-K97 PolarHBondContact O-N 3.18Å; T95-K97 VanDerWaalsContact O-N 3.14Å; K97-T99 VanDerWaalsContact C-N 3.25Å; K97-T99 PolarHBondContact O-N 3.44Å; K97-S100 PolarHBondContact O-N 2.84Å; K97-K101 PolarHBondContact O-N 2.62Å
98	T	68.1	Low	75.3	Confident	65 Å²	65	44.8 Å²	44.8	40%	0.399	27%	0.265	S	S	.	.	H	α-helix	trans	-53.3	-40.9	-177.2	-46.9	0	0	0	0	112.4	G96 K101 L102 L177	G96-T98 PolarHBondContact O-N 3.45Å; T98-K101 WeakPolarHBondContact O-CB 3.25Å; T98-K101 PolarHBondContact O-N 3.38Å; T98-L102 HydrophobicContact CG2-CD1 4.06Å; T98-L102 HydrophobicContact CG2-CG 4.37Å; T98-L102 VanDerWaalsContact O-CG 3.25Å; T98-L102 WeakPolarHBondContact O-CG 3.38Å; T98-L102 PolarHBondContact O-N 3.26Å; T98-L177 HydrophobicContact CG2-CD2 3.96Å
99	T	71.4	Confident	76	Confident	69 Å²	69	42.6 Å²	42.6	42%	0.423	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-49.5	-177.7	48.2	0	0	0	0	113.5	K97 K101 L102 E103	K97-T99 VanDerWaalsContact C-N 3.25Å; K97-T99 PolarHBondContact O-N 3.44Å; T99-K101 VanDerWaalsContact C-N 3.29Å; T99-K101 PolarHBondContact O-N 2.89Å; T99-L102 WeakPolarHBondContact O-CB 3.43Å; T99-L102 PolarHBondContact O-N 3.1Å; T99-E103 PolarHBondContact O-N 2.89Å
100	S	73.4	Confident	76.8	Confident	36 Å²	36	42.9 Å²	42.9	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-38	178.5	-56.1	0	0	0	0	111.2	M92 K97 L102 E103 W104	M92-S100 VanDerWaalsContact CE-C 3.47Å; M92-S100 WeakPolarHBondContact CE-O 3.44Å; K97-S100 PolarHBondContact O-N 2.84Å; S100-L102 PolarHBondContact O-N 3.09Å; S100-E103 PolarHBondContact O-N 3.46Å; S100-W104 PolarHBondContact O-N 3.11Å
101	K	77.1	Confident	77.5	Confident	72 Å²	72	42 Å²	42	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-59.6	-34.9	172.9	-68.4	-177.1	174.1	-171.2	0	112.7	T95 K97 T98 T99 A105	T95-K101 WeakPolarHBondContact O-CE 3.45Å; K97-K101 PolarHBondContact O-N 2.62Å; T98-K101 WeakPolarHBondContact O-CB 3.25Å; T98-K101 PolarHBondContact O-N 3.38Å; T99-K101 VanDerWaalsContact C-N 3.29Å; T99-K101 PolarHBondContact O-N 2.89Å; K101-A105 VanDerWaalsContact O-CB 3.28Å; K101-A105 WeakPolarHBondContact O-CB 3.04Å; K101-A105 PolarHBondContact O-N 3.21Å
102	L	84.1	Confident	78.4	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-75.9	-36.7	179.2	-67.2	173.4	0	0	0	112.8	T98 T99 S100 W104 A105 F106 I173 L176 L177 L183 I186	T98-L102 HydrophobicContact CG2-CD1 4.06Å; T98-L102 HydrophobicContact CG2-CG 4.37Å; T98-L102 VanDerWaalsContact O-CG 3.25Å; T98-L102 WeakPolarHBondContact O-CG 3.38Å; T98-L102 PolarHBondContact O-N 3.26Å; T99-L102 WeakPolarHBondContact O-CB 3.43Å; T99-L102 PolarHBondContact O-N 3.1Å; S100-L102 PolarHBondContact O-N 3.09Å; L102-W104 VanDerWaalsContact C-N 3.33Å; L102-A105 PolarHBondContact O-N 3.42Å; L102-F106 PolarHBondContact O-N 2.9Å; L102-I173 HydrophobicContact CB-CG1 4.01Å; L102-I173 HydrophobicContact CB-CG2 4.34Å; L102-I173 HydrophobicContact CD1-CG2 4.03Å; L102-L176 HydrophobicContact CD2-CB 3.79Å; L102-L176 HydrophobicContact CD2-CD1 3.57Å; L102-L176 HydrophobicContact CD2-CG 4.36Å; L102-L177 HydrophobicContact CD1-CD1 4.26Å; L102-L177 HydrophobicContact CD1-CD2 3.56Å; L102-L177 HydrophobicContact CD1-CG 3.56Å; L102-L183 HydrophobicContact CD2-CD1 3.73Å; L102-I186 HydrophobicContact CD2-CD1 4.19Å
103	E	84.6	Confident	79.4	Confident	85 Å²	85	48.2 Å²	48.2	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-43.6	171.3	-66.9	164.5	175.5	0	0	110.6	T99 S100 F106 S107 I173	T99-E103 PolarHBondContact O-N 2.89Å; S100-E103 PolarHBondContact O-N 3.46Å; E103-F106 WeakPolarHBondContact O-CB 3.32Å; E103-F106 PolarHBondContact O-N 2.7Å; E103-S107 PolarHBondContact O-N 3.08Å; E103-S107 VanDerWaalsContact O-N 3.17Å; E103-S107 PolarHBondContact O-OG 2.81Å; E103-I173 HydrophobicContact CG-CD1 3.82Å
104	W	84.4	Confident	80.7	Confident	41 Å²	41	47.7 Å²	47.7	16%	0.155	28%	0.276	C	S	.	.	H	α-helix	trans	-67.3	-41.9	172.9	172.3	70.9	0	0	0	112.5	V69 S72 F73 M92 S100 L102 F106 S107 L108	V69-W104 HydrophobicContact CG1-CZ2 4.27Å; V69-W104 HydrophobicContact CG2-CZ2 4.31Å; S72-W104 PolarHBondContact OG-NE1 3.23Å; F73-W104 AromaticContact CD1-NE1 3.66Å; F73-W104 AromaticContact CE1-CD1 3.38Å; F73-W104 HydrophobicContact CE1-CD2 4.49Å; F73-W104 AromaticContact CE1-CE2 3.75Å; F73-W104 HydrophobicContact CE1-CG 4.27Å; F73-W104 HydrophobicContact CE1-CZ2 4.43Å; F73-W104 AromaticContact CE1-NE1 2.99Å; F73-W104 HydrophobicContact CE2-CZ2 4.42Å; F73-W104 AromaticContact CZ-CE2 3.63Å; F73-W104 AromaticContact CZ-CZ2 3.86Å; F73-W104 HydrophobicContact CZ-CZ2 3.86Å; F73-W104 AromaticContact CZ-NE1 3.32Å; F73-W104 VanDerWaalsContact CZ-NE1 3.32Å; M92-W104 HydrophobicContact CE-CB 3.53Å; S100-W104 PolarHBondContact O-N 3.11Å; L102-W104 VanDerWaalsContact C-N 3.33Å; W104-F106 PolarHBondContact O-N 2.86Å; W104-S107 CarbonylContact O-C 3.54Å; W104-S107 WeakPolarHBondContact O-CA 3.45Å; W104-S107 WeakPolarHBondContact O-CB 3.39Å; W104-S107 PolarHBondContact O-N 2.94Å; W104-L108 HydrophobicContact CH2-CD2 3.98Å; W104-L108 HydrophobicContact CZ2-CD1 4.49Å; W104-L108 HydrophobicContact CZ2-CD2 4.34Å; W104-L108 HydrophobicContact CZ3-CD2 4.42Å; W104-L108 PolarHBondContact O-N 2.82Å
105	A	87.5	Confident	82.1	Confident	6 Å²	6	45.8 Å²	45.8	5%	0.05	26%	0.264	C	S	.	.	H	α-helix	trans	-58.8	-38.5	175.5	0	0	0	0	0	110.7	K101 L102 S107 L108 F109 F172 I186	K101-A105 VanDerWaalsContact O-CB 3.28Å; K101-A105 WeakPolarHBondContact O-CB 3.04Å; K101-A105 PolarHBondContact O-N 3.21Å; L102-A105 PolarHBondContact O-N 3.42Å; A105-S107 VanDerWaalsContact C-N 3.35Å; A105-S107 PolarHBondContact O-N 3.4Å; A105-L108 WeakPolarHBondContact O-CB 3.09Å; A105-L108 PolarHBondContact O-N 3.1Å; A105-L108 VanDerWaalsContact O-N 3.13Å; A105-F109 VanDerWaalsContact O-CD2 3.28Å; A105-F109 WeakPolarHBondContact O-CD2 3.24Å; A105-F109 PolarHBondContact O-N 3.49Å; A105-F172 HydrophobicContact CB-CE1 4Å; A105-F172 HydrophobicContact CB-CZ 4.34Å; A105-I186 HydrophobicContact CB-CD1 3.94Å
106	F	90.9	Very high	83.9	Confident	10 Å²	10	49.7 Å²	49.7	4%	0.044	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-48.5	172.2	-177	-93.4	0	0	0	111.4	L102 E103 W104 L108 F109 D110 G115 I117 E169 F172	L102-F106 PolarHBondContact O-N 2.9Å; E103-F106 WeakPolarHBondContact O-CB 3.32Å; E103-F106 PolarHBondContact O-N 2.7Å; W104-F106 PolarHBondContact O-N 2.86Å; F106-L108 PolarHBondContact O-N 2.78Å; F106-F109 PolarHBondContact O-N 3.19Å; F106-D110 HydrophobicContact CD1-CB 4.49Å; F106-D110 HydrophobicContact CE1-CB 4.08Å; F106-D110 HydrophobicContact CZ-CB 4.41Å; F106-D110 WeakPolarHBondContact O-CB 3.37Å; F106-D110 PolarHBondContact O-N 3.38Å; F106-G115 WeakPolarHBondContact CZ-O 3.46Å; F106-I117 HydrophobicContact CD2-CD1 3.22Å; F106-I117 HydrophobicContact CD2-CG1 3.96Å; F106-I117 HydrophobicContact CE2-CD1 3.35Å; F106-I117 HydrophobicContact CE2-CG1 3.58Å; F106-I117 HydrophobicContact CG-CD1 4.11Å; F106-I117 HydrophobicContact CZ-CD1 4.28Å; F106-I117 HydrophobicContact CZ-CG1 4.12Å; F106-E169 HydrophobicContact CB-CG 4.23Å; F106-E169 HydrophobicContact CD1-CB 3.95Å; F106-E169 HydrophobicContact CD1-CG 3.97Å; F106-E169 VanDerWaalsContact CD2-CA 3.47Å; F106-E169 HydrophobicContact CD2-CB 3.96Å; F106-E169 HydrophobicContact CD2-CG 4.21Å; F106-E169 HydrophobicContact CE1-CB 3.93Å; F106-E169 HydrophobicContact CE1-CG 4.45Å; F106-E169 HydrophobicContact CE2-CB 3.93Å; F106-E169 VanDerWaalsContact CE2-N 3.3Å; F106-E169 HydrophobicContact CG-CB 3.98Å; F106-E169 HydrophobicContact CG-CG 3.84Å; F106-E169 HydrophobicContact CZ-CB 3.92Å; F106-F172 HydrophobicContact CB-CD1 3.83Å; F106-F172 HydrophobicContact CB-CE1 4.06Å; F106-F172 HydrophobicContact CD2-CB 3.71Å; F106-F172 AromaticContact CD2-CD1 3.89Å; F106-F172 HydrophobicContact CD2-CD1 3.89Å; F106-F172 AromaticContact CD2-CG 3.82Å; F106-F172 HydrophobicContact CD2-CG 3.82Å; F106-F172 HydrophobicContact CE2-CB 4.23Å; F106-F172 HydrophobicContact CG-CD1 4.38Å
107	S	88.6	Confident	86	Confident	52 Å²	52	46.7 Å²	46.7	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-24.4	177.2	-55.5	0	0	0	0	113.7	E103 W104 A105	E103-S107 PolarHBondContact O-N 3.08Å; E103-S107 VanDerWaalsContact O-N 3.17Å; E103-S107 PolarHBondContact O-OG 2.81Å; W104-S107 CarbonylContact O-C 3.54Å; W104-S107 WeakPolarHBondContact O-CA 3.45Å; W104-S107 WeakPolarHBondContact O-CB 3.39Å; W104-S107 PolarHBondContact O-N 2.94Å; A105-S107 VanDerWaalsContact C-N 3.35Å; A105-S107 PolarHBondContact O-N 3.4Å
108	L	90	Very high	87.5	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-73.7	-41.9	172.8	-178.4	67.8	0	0	0	111.3	Y65 H68 V69 R71 W104 A105 F106 I125	Y65-L108 HydrophobicContact CE2-CD2 4.12Å; H68-L108 HydrophobicContact CB-CD1 3.67Å; V69-L108 HydrophobicContact CG2-CD1 4.14Å; R71-L108 PolarHBondContact NH2-O 2.82Å; W104-L108 HydrophobicContact CH2-CD2 3.98Å; W104-L108 HydrophobicContact CZ2-CD1 4.49Å; W104-L108 HydrophobicContact CZ2-CD2 4.34Å; W104-L108 HydrophobicContact CZ3-CD2 4.42Å; W104-L108 PolarHBondContact O-N 2.82Å; A105-L108 WeakPolarHBondContact O-CB 3.09Å; A105-L108 PolarHBondContact O-N 3.1Å; A105-L108 VanDerWaalsContact O-N 3.13Å; F106-L108 PolarHBondContact O-N 2.78Å; L108-I125 HydrophobicContact CD2-CG2 4.32Å; L108-I125 HydrophobicContact CG-CG2 4.35Å; L108-I125 WeakPolarHBondContact O-CD1 3.27Å
109	F	93	Very high	88.8	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-78.6	-32.4	-178.9	-85.1	-95.6	0	0	0	114.1	A105 F106 V111 I117 E121 V122 I125 L155 F172 I186	A105-F109 VanDerWaalsContact O-CD2 3.28Å; A105-F109 WeakPolarHBondContact O-CD2 3.24Å; A105-F109 PolarHBondContact O-N 3.49Å; F106-F109 PolarHBondContact O-N 3.19Å; F109-V111 PolarHBondContact O-N 2.76Å; F109-I117 HydrophobicContact CB-CD1 3.45Å; F109-I117 VanDerWaalsContact CB-CD1 3.45Å; F109-I117 HydrophobicContact CB-CG1 3.88Å; F109-I117 HydrophobicContact CB-CG2 4.26Å; F109-I117 HydrophobicContact CG-CD1 4.44Å; F109-E121 WeakPolarHBondContact O-CB 3.28Å; F109-V122 HydrophobicContact CD1-CB 4.35Å; F109-V122 HydrophobicContact CD1-CG2 3.87Å; F109-V122 HydrophobicContact CE1-CB 4.3Å; F109-V122 HydrophobicContact CE1-CG1 4.2Å; F109-V122 HydrophobicContact CE1-CG2 4.14Å; F109-I125 HydrophobicContact CD1-CB 3.93Å; F109-I125 HydrophobicContact CD1-CG1 4.15Å; F109-I125 HydrophobicContact CD1-CG2 4.21Å; F109-I125 HydrophobicContact CD2-CG2 4.11Å; F109-I125 HydrophobicContact CE1-CB 3.79Å; F109-I125 HydrophobicContact CE1-CG2 3.86Å; F109-I125 HydrophobicContact CE2-CG2 3.76Å; F109-I125 HydrophobicContact CG-CB 4.37Å; F109-I125 HydrophobicContact CG-CG1 4.29Å; F109-I125 HydrophobicContact CG-CG2 4.34Å; F109-I125 HydrophobicContact CZ-CB 4.1Å; F109-I125 HydrophobicContact CZ-CG2 3.62Å; F109-L155 HydrophobicContact CE1-CD2 3.84Å; F109-L155 HydrophobicContact CZ-CD2 3.85Å; F109-F172 HydrophobicContact CD2-CE2 4.36Å; F109-F172 AromaticContact CD2-CZ 3.9Å; F109-F172 HydrophobicContact CD2-CZ 3.9Å; F109-F172 HydrophobicContact CE2-CZ 4.34Å; F109-F172 HydrophobicContact CG-CE2 4.31Å; F109-F172 HydrophobicContact CG-CZ 4.26Å; F109-I186 HydrophobicContact CE2-CB 4.12Å; F109-I186 HydrophobicContact CE2-CG2 3.77Å; F109-I186 HydrophobicContact CZ-CB 4.34Å; F109-I186 HydrophobicContact CZ-CG2 3.61Å
110	D	94.1	Very high	89.9	Confident	11 Å²	11	41.8 Å²	41.8	6%	0.059	23%	0.229	C	C	.	.			trans	-75.2	89.8	172.5	-176.7	5.5	0	0	0	109.2	F106 K113 N114 G115 I117	F106-D110 HydrophobicContact CD1-CB 4.49Å; F106-D110 HydrophobicContact CE1-CB 4.08Å; F106-D110 HydrophobicContact CZ-CB 4.41Å; F106-D110 WeakPolarHBondContact O-CB 3.37Å; F106-D110 PolarHBondContact O-N 3.38Å; D110-K113 VanDerWaalsContact OD1-CA 3.24Å; D110-K113 WeakPolarHBondContact OD1-CA 3.26Å; D110-K113 PolarHBondContact OD1-N 3.06Å; D110-K113 WeakPolarHBondContact OD2-CA 3.5Å; D110-N114 PolarHBondContact OD1-N 3.47Å; D110-N114 PolarHBondContact OD2-N 3.24Å; D110-G115 VanDerWaalsContact OD2-CA 3.26Å; D110-G115 WeakPolarHBondContact OD2-CA 3.13Å; D110-G115 PolarHBondContact OD2-N 2.76Å; D110-I117 HydrophobicContact CB-CG1 4.24Å
111	V	91.4	Very high	90.9	Very high	31 Å²	31	40.7 Å²	40.7	19%	0.188	22%	0.22	C	C	.	.	S	Bend	trans	-73.6	-40.4	-169.8	162.2	0	0	0	0	111	R71 F109 E121 I125	R71-V111 WeakPolarHBondContact CD-O 3.28Å; R71-V111 VanDerWaalsContact NH1-CG1 3.3Å; R71-V111 VanDerWaalsContact NH2-CG2 3.33Å; F109-V111 PolarHBondContact O-N 2.76Å; V111-E121 HydrophobicContact CB-CB 4.48Å; V111-E121 HydrophobicContact CB-CG 3.92Å; V111-E121 WeakPolarHBondContact CB-OE1 3.42Å; V111-E121 HydrophobicContact CG2-CB 4.04Å; V111-E121 HydrophobicContact CG2-CG 3.99Å; V111-E121 PolarHBondContact N-OE1 3.02Å; V111-I125 HydrophobicContact CG2-CD1 4.22Å; V111-I125 HydrophobicContact CG2-CG1 4.46Å
112	D	91.6	Very high	91.7	Very high	96 Å²	96	37.2 Å²	37.2	51%	0.513	21%	0.205	S	C	.	.	S	Bend	trans	-90.7	-2	-179	74.8	2.5	0	0	0	113.5	N114 E121	D112-N114 VanDerWaalsContact C-N 3.25Å; D112-N114 PolarHBondContact O-N 3Å; D112-N114 WeakPolarHBondContact OD1-CB 3.32Å; D112-N114 PolarHBondContact OD1-N 3.07Å; D112-N114 PolarHBondContact OD1-ND2 3.24Å; D112-N114 PolarHBondContact OD2-ND2 3.43Å; D112-E121 PolarHBondContact N-OE1 2.89Å
113	K	90.4	Very high	92.2	Very high	77 Å²	77	39.1 Å²	39.1	34%	0.335	22%	0.217	S	C	.	.			trans	60.4	31.9	178.5	-59.1	179.2	172.2	177.9	0	112.7	D74 D77 D110 G115	D74-K113 PolarHBondContact O-NZ 3.05Å; D77-K113 IonicContact OD1-NZ 2.99Å; D77-K113 PolarHBondContact OD1-NZ 2.82Å; D77-K113 IonicContact OD2-NZ 3.7Å; D77-K113 PolarHBondContact OD2-NZ 2.92Å; D110-K113 VanDerWaalsContact OD1-CA 3.24Å; D110-K113 WeakPolarHBondContact OD1-CA 3.26Å; D110-K113 PolarHBondContact OD1-N 3.06Å; D110-K113 WeakPolarHBondContact OD2-CA 3.5Å; K113-G115 VanDerWaalsContact C-N 3.28Å
114	N	93	Very high	92.7	Very high	60 Å²	60	38.8 Å²	38.8	32%	0.321	22%	0.215	S	C	.	.	S	Bend	trans	-83.8	-2.9	-179.2	77.4	36.9	0	0	0	113.5	D110 D112 Y116	D110-N114 PolarHBondContact OD1-N 3.47Å; D110-N114 PolarHBondContact OD2-N 3.24Å; D112-N114 VanDerWaalsContact C-N 3.25Å; D112-N114 PolarHBondContact O-N 3Å; D112-N114 WeakPolarHBondContact OD1-CB 3.32Å; D112-N114 PolarHBondContact OD1-N 3.07Å; D112-N114 PolarHBondContact OD1-ND2 3.24Å; D112-N114 PolarHBondContact OD2-ND2 3.43Å; N114-Y116 WeakPolarHBondContact OD1-CA 3.47Å; N114-Y116 VanDerWaalsContact OD1-CB 3.24Å; N114-Y116 WeakPolarHBondContact OD1-CB 3.4Å; N114-Y116 PolarHBondContact OD1-N 2.94Å; N114-Y116 PolarHBondContact OD1-O 3.46Å; N114-Y116 VanDerWaalsContact OD1-O 3.1Å
115	G	93.9	Very high	93	Very high	36 Å²	36	36.9 Å²	36.9	37%	0.371	21%	0.208	S	C	.	.	S	Bend	trans	86.8	8.9	-177.7	0	0	0	0	0	114.1	F106 D110 K113	F106-G115 WeakPolarHBondContact CZ-O 3.46Å; D110-G115 VanDerWaalsContact OD2-CA 3.26Å; D110-G115 WeakPolarHBondContact OD2-CA 3.13Å; D110-G115 PolarHBondContact OD2-N 2.76Å; K113-G115 VanDerWaalsContact C-N 3.28Å
116	Y	96.4	Very high	93.2	Very high	108 Å²	108	36.7 Å²	36.7	42%	0.424	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	139.7	179.5	-60.1	-88.5	0	0	0	112	N114 R166 V167 A168	N114-Y116 WeakPolarHBondContact OD1-CA 3.47Å; N114-Y116 VanDerWaalsContact OD1-CB 3.24Å; N114-Y116 WeakPolarHBondContact OD1-CB 3.4Å; N114-Y116 PolarHBondContact OD1-N 2.94Å; N114-Y116 PolarHBondContact OD1-O 3.46Å; N114-Y116 VanDerWaalsContact OD1-O 3.1Å; Y116-R166 HydrophobicContact CD1-CB 4.13Å; Y116-R166 HydrophobicContact CG-CB 4.32Å; Y116-V167 WeakPolarHBondContact CA-O 3.22Å; Y116-A168 HydrophobicContact CD1-CB 4.14Å; Y116-A168 HydrophobicContact CE1-CB 4.05Å
117	I	96.4	Very high	93.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.2	175.6	-62.5	164.5	0	0	0	110.3	F106 F109 D110 V122 R166 V167 F172	F106-I117 HydrophobicContact CD2-CD1 3.22Å; F106-I117 HydrophobicContact CD2-CG1 3.96Å; F106-I117 HydrophobicContact CE2-CD1 3.35Å; F106-I117 HydrophobicContact CE2-CG1 3.58Å; F106-I117 HydrophobicContact CG-CD1 4.11Å; F106-I117 HydrophobicContact CZ-CD1 4.28Å; F106-I117 HydrophobicContact CZ-CG1 4.12Å; F109-I117 HydrophobicContact CB-CD1 3.45Å; F109-I117 VanDerWaalsContact CB-CD1 3.45Å; F109-I117 HydrophobicContact CB-CG1 3.88Å; F109-I117 HydrophobicContact CB-CG2 4.26Å; F109-I117 HydrophobicContact CG-CD1 4.44Å; D110-I117 HydrophobicContact CB-CG1 4.24Å; I117-V122 HydrophobicContact CG2-CG2 3.49Å; I117-V122 VanDerWaalsContact CG2-CG2 3.49Å; I117-R166 WeakPolarHBondContact O-CA 3.42Å; I117-V167 HydrophobicContact CB-CB 4.42Å; I117-V167 PolarHBondContact N-O 2.86Å; I117-V167 PolarHBondContact O-N 3.32Å; I117-F172 HydrophobicContact CD1-CB 4.44Å; I117-F172 HydrophobicContact CD1-CD2 3.52Å; I117-F172 HydrophobicContact CD1-CE2 3.74Å; I117-F172 HydrophobicContact CD1-CG 3.93Å; I117-F172 HydrophobicContact CD1-CZ 4.3Å
118	T	96.7	Very high	93.2	Very high	36 Å²	36	35.8 Å²	35.8	22%	0.221	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	162.2	172	65.1	0	0	0	0	111.8	A120 E121 V122 R166	T118-A120 PolarHBondContact O-N 2.83Å; T118-E121 WeakPolarHBondContact CB-OE2 3.28Å; T118-E121 PolarHBondContact N-OE2 3.17Å; T118-E121 PolarHBondContact O-N 3.07Å; T118-E121 VanDerWaalsContact OG1-CG 3.28Å; T118-E121 WeakPolarHBondContact OG1-CG 3.36Å; T118-E121 PolarHBondContact OG1-N 3.02Å; T118-E121 PolarHBondContact OG1-OE2 3.45Å; T118-V122 PolarHBondContact O-N 2.98Å; T118-R166 HydrophobicContact CG2-CG 4.3Å
119	K	95.2	Very high	93	Very high	42 Å²	42	35.7 Å²	35.7	18%	0.183	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-37.5	175.5	-168.3	177.9	-174.4	-174.1	0	112.4	E121 V122 T123 D153 W156 D163	K119-E121 VanDerWaalsContact C-N 3.34Å; K119-E121 PolarHBondContact O-N 3.24Å; K119-V122 PolarHBondContact O-N 3.34Å; K119-T123 PolarHBondContact O-N 3.31Å; K119-T123 PolarHBondContact O-OG1 2.87Å; K119-T123 VanDerWaalsContact O-OG1 3.07Å; K119-D153 WeakPolarHBondContact CE-OD1 3.39Å; K119-D153 IonicContact NZ-OD1 2.7Å; K119-D153 PolarHBondContact NZ-OD1 3.02Å; K119-W156 HydrophobicContact CB-CD2 3.86Å; K119-W156 HydrophobicContact CB-CE3 4.15Å; K119-W156 HydrophobicContact CB-CG 4.38Å; K119-W156 HydrophobicContact CB-CH2 4.23Å; K119-W156 HydrophobicContact CB-CZ2 3.95Å; K119-W156 HydrophobicContact CB-CZ3 4.32Å; K119-W156 HydrophobicContact CD-CD2 4.45Å; K119-W156 HydrophobicContact CD-CG 4.13Å; K119-W156 HydrophobicContact CG-CB 4.47Å; K119-W156 HydrophobicContact CG-CD2 3.91Å; K119-W156 HydrophobicContact CG-CE3 4.42Å; K119-W156 HydrophobicContact CG-CG 3.91Å; K119-W156 VanDerWaalsContact N-CH2 3.33Å; K119-D163 HydrophobicContact CD-CB 4.37Å; K119-D163 VanDerWaalsContact CD-OD1 3.25Å; K119-D163 WeakPolarHBondContact CD-OD1 3.26Å; K119-D163 IonicContact NZ-OD1 3.8Å; K119-D163 PolarHBondContact NZ-OD1 3.15Å
120	A	95.1	Very high	92.7	Very high	72 Å²	72	37.1 Å²	37.1	60%	0.595	21%	0.206	S	C	*	.	H	α-helix	trans	-61.7	-43.2	178.3	0	0	0	0	0	111.7	T118 T123 E124	T118-A120 PolarHBondContact O-N 2.83Å; A120-T123 WeakPolarHBondContact O-CB 3.26Å; A120-T123 PolarHBondContact O-N 2.9Å; A120-E124 PolarHBondContact O-N 3.46Å
121	E	95.4	Very high	92.3	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-37	177.8	-64.9	168.1	117.9	0	0	112	F109 V111 D112 T118 K119 T123 E124 I125	F109-E121 WeakPolarHBondContact O-CB 3.28Å; V111-E121 HydrophobicContact CB-CB 4.48Å; V111-E121 HydrophobicContact CB-CG 3.92Å; V111-E121 WeakPolarHBondContact CB-OE1 3.42Å; V111-E121 HydrophobicContact CG2-CB 4.04Å; V111-E121 HydrophobicContact CG2-CG 3.99Å; V111-E121 PolarHBondContact N-OE1 3.02Å; D112-E121 PolarHBondContact N-OE1 2.89Å; T118-E121 WeakPolarHBondContact CB-OE2 3.28Å; T118-E121 PolarHBondContact N-OE2 3.17Å; T118-E121 PolarHBondContact O-N 3.07Å; T118-E121 VanDerWaalsContact OG1-CG 3.28Å; T118-E121 WeakPolarHBondContact OG1-CG 3.36Å; T118-E121 PolarHBondContact OG1-N 3.02Å; T118-E121 PolarHBondContact OG1-OE2 3.45Å; K119-E121 VanDerWaalsContact C-N 3.34Å; K119-E121 PolarHBondContact O-N 3.24Å; E121-T123 VanDerWaalsContact C-N 3.33Å; E121-T123 PolarHBondContact O-N 2.9Å; E121-E124 WeakPolarHBondContact O-CB 3.24Å; E121-E124 PolarHBondContact O-N 3.3Å; E121-I125 PolarHBondContact O-N 3.23Å
122	V	93.8	Very high	91.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58	-46.6	170	170.6	0	0	0	0	111.1	F109 I117 T118 K119 E124 I125 C126 A152 L155 W156	F109-V122 HydrophobicContact CD1-CB 4.35Å; F109-V122 HydrophobicContact CD1-CG2 3.87Å; F109-V122 HydrophobicContact CE1-CB 4.3Å; F109-V122 HydrophobicContact CE1-CG1 4.2Å; F109-V122 HydrophobicContact CE1-CG2 4.14Å; I117-V122 HydrophobicContact CG2-CG2 3.49Å; I117-V122 VanDerWaalsContact CG2-CG2 3.49Å; T118-V122 PolarHBondContact O-N 2.98Å; K119-V122 PolarHBondContact O-N 3.34Å; V122-E124 VanDerWaalsContact C-N 3.34Å; V122-E124 PolarHBondContact O-N 3.13Å; V122-I125 PolarHBondContact O-N 3.36Å; V122-C126 VanDerWaalsContact O-CB 3.26Å; V122-C126 WeakPolarHBondContact O-CB 3.47Å; V122-C126 PolarHBondContact O-N 3.28Å; V122-C126 PolarHBondContact O-SG 2.68Å; V122-A152 HydrophobicContact CG1-CB 4.07Å; V122-L155 HydrophobicContact CG1-CB 4.37Å; V122-L155 HydrophobicContact CG1-CD2 3.91Å; V122-L155 HydrophobicContact CG1-CG 4.3Å; V122-W156 HydrophobicContact CB-CE3 4.45Å; V122-W156 HydrophobicContact CG2-CE3 3.89Å; V122-W156 HydrophobicContact CG2-CZ3 4.07Å
123	T	93.6	Very high	91.4	Very high	41 Å²	41	35.5 Å²	35.5	25%	0.252	19%	0.192	S	C	.	.	H	α-helix	trans	-61.7	-41.8	176.5	-54.6	0	0	0	0	112.1	K119 A120 E121 T127 A152	K119-T123 PolarHBondContact O-N 3.31Å; K119-T123 PolarHBondContact O-OG1 2.87Å; K119-T123 VanDerWaalsContact O-OG1 3.07Å; A120-T123 WeakPolarHBondContact O-CB 3.26Å; A120-T123 PolarHBondContact O-N 2.9Å; E121-T123 VanDerWaalsContact C-N 3.33Å; E121-T123 PolarHBondContact O-N 2.9Å; T123-T127 VanDerWaalsContact O-CB 3.29Å; T123-T127 WeakPolarHBondContact O-CB 3.17Å; T123-T127 PolarHBondContact O-N 2.84Å; T123-T127 PolarHBondContact O-OG1 3.29Å; T123-A152 HydrophobicContact CG2-CB 4.39Å
124	E	94.3	Very high	91	Very high	79 Å²	79	33.1 Å²	33.1	37%	0.369	18%	0.184	S	C	.	.	H	α-helix	trans	-59.6	-50	177.8	-177.2	175.7	138	0	0	111.9	H68 R71 A120 E121 V122 T127 S128	H68-E124 IonicContact CE1-OE1 2.74Å; H68-E124 PolarHBondContact CE1-OE1 3.32Å; H68-E124 IonicContact ND1-OE1 3.14Å; H68-E124 IonicContact NE2-OE1 2.86Å; R71-E124 IonicContact NH1-OE1 2.83Å; A120-E124 PolarHBondContact O-N 3.46Å; E121-E124 WeakPolarHBondContact O-CB 3.24Å; E121-E124 PolarHBondContact O-N 3.3Å; V122-E124 VanDerWaalsContact C-N 3.34Å; V122-E124 PolarHBondContact O-N 3.13Å; E124-T127 PolarHBondContact O-N 2.9Å; E124-S128 PolarHBondContact O-N 3.32Å; E124-S128 PolarHBondContact O-OG 3.36Å
125	I	92	Very high	90.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.6	-43.7	179.9	-61.9	-49	0	0	0	111.6	H68 L108 F109 V111 E121 V122 T127 S128 I129	H68-I125 HydrophobicContact CB-CD1 3.82Å; H68-I125 VanDerWaalsContact CG-CD1 3.43Å; L108-I125 HydrophobicContact CD2-CG2 4.32Å; L108-I125 HydrophobicContact CG-CG2 4.35Å; L108-I125 WeakPolarHBondContact O-CD1 3.27Å; F109-I125 HydrophobicContact CD1-CB 3.93Å; F109-I125 HydrophobicContact CD1-CG1 4.15Å; F109-I125 HydrophobicContact CD1-CG2 4.21Å; F109-I125 HydrophobicContact CD2-CG2 4.11Å; F109-I125 HydrophobicContact CE1-CB 3.79Å; F109-I125 HydrophobicContact CE1-CG2 3.86Å; F109-I125 HydrophobicContact CE2-CG2 3.76Å; F109-I125 HydrophobicContact CG-CB 4.37Å; F109-I125 HydrophobicContact CG-CG1 4.29Å; F109-I125 HydrophobicContact CG-CG2 4.34Å; F109-I125 HydrophobicContact CZ-CB 4.1Å; F109-I125 HydrophobicContact CZ-CG2 3.62Å; V111-I125 HydrophobicContact CG2-CD1 4.22Å; V111-I125 HydrophobicContact CG2-CG1 4.46Å; E121-I125 PolarHBondContact O-N 3.23Å; V122-I125 PolarHBondContact O-N 3.36Å; I125-T127 PolarHBondContact O-N 3.03Å; I125-S128 WeakPolarHBondContact O-CB 3.28Å; I125-S128 PolarHBondContact O-N 3.41Å; I125-S128 VanDerWaalsContact O-N 3.09Å; I125-I129 HydrophobicContact CG2-CD1 3.77Å; I125-I129 HydrophobicContact CG2-CG1 4.28Å; I125-I129 WeakPolarHBondContact O-CG1 2.87Å; I125-I129 PolarHBondContact O-N 2.84Å
126	C	91.1	Very high	89.8	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.02	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-37.3	175.6	-74.6	0	0	0	0	111.9	V122 I129 F130 A152	V122-C126 VanDerWaalsContact O-CB 3.26Å; V122-C126 WeakPolarHBondContact O-CB 3.47Å; V122-C126 PolarHBondContact O-N 3.28Å; V122-C126 PolarHBondContact O-SG 2.68Å; C126-I129 PolarHBondContact O-N 3.14Å; C126-F130 VanDerWaalsContact O-CB 3.24Å; C126-F130 WeakPolarHBondContact O-CB 3.45Å; C126-F130 PolarHBondContact O-N 3.17Å; C126-A152 HydrophobicContact CB-CB 4.09Å
127	T	91.1	Very high	89.1	Confident	39 Å²	39	37 Å²	37	24%	0.239	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-44.2	174	-58.6	0	0	0	0	111.6	T123 E124 I125 F130 K131 P148	T123-T127 VanDerWaalsContact O-CB 3.29Å; T123-T127 WeakPolarHBondContact O-CB 3.17Å; T123-T127 PolarHBondContact O-N 2.84Å; T123-T127 PolarHBondContact O-OG1 3.29Å; E124-T127 PolarHBondContact O-N 2.9Å; I125-T127 PolarHBondContact O-N 3.03Å; T127-F130 PolarHBondContact O-N 2.86Å; T127-K131 WeakPolarHBondContact O-CG 3.45Å; T127-K131 PolarHBondContact O-N 3.15Å; T127-P148 HydrophobicContact CG2-CB 4.41Å; T127-P148 HydrophobicContact CG2-CG 4.36Å; T127-P148 WeakPolarHBondContact OG1-CB 3.12Å
128	S	89.2	Confident	88.4	Confident	3 Å²	3	39 Å²	39	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-39.3	177.5	-69.3	0	0	0	0	112.8	T64 H68 E124 I125	T64-S128 WeakPolarHBondContact CG2-OG 3.39Å; H68-S128 PolarHBondContact CD2-OG 3.39Å; H68-S128 VanDerWaalsContact CD2-OG 3.23Å; H68-S128 PolarHBondContact NE2-OG 3.04Å; H68-S128 VanDerWaalsContact NE2-OG 3.13Å; E124-S128 PolarHBondContact O-N 3.32Å; E124-S128 PolarHBondContact O-OG 3.36Å; I125-S128 WeakPolarHBondContact O-CB 3.28Å; I125-S128 PolarHBondContact O-N 3.41Å; I125-S128 VanDerWaalsContact O-N 3.09Å
129	I	85.7	Confident	87.7	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-67.6	-42.4	174.7	-66.7	168.9	0	0	0	110.6	Y65 I125 C126 K131 L132	Y65-I129 HydrophobicContact CD2-CG1 3.8Å; Y65-I129 HydrophobicContact CE2-CD1 4.27Å; Y65-I129 HydrophobicContact CE2-CG1 3.53Å; I125-I129 HydrophobicContact CG2-CD1 3.77Å; I125-I129 HydrophobicContact CG2-CG1 4.28Å; I125-I129 WeakPolarHBondContact O-CG1 2.87Å; I125-I129 PolarHBondContact O-N 2.84Å; C126-I129 PolarHBondContact O-N 3.14Å; I129-K131 PolarHBondContact O-N 3.29Å; I129-L132 WeakPolarHBondContact O-CB 3.25Å; I129-L132 PolarHBondContact O-N 3.15Å
130	F	86.1	Confident	87.2	Confident	31 Å²	31	45 Å²	45	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-35.7	-179.7	-170.5	-89.8	0	0	0	112.2	C126 T127 L132 I133 V138 L141 N146 P148	C126-F130 VanDerWaalsContact O-CB 3.24Å; C126-F130 WeakPolarHBondContact O-CB 3.45Å; C126-F130 PolarHBondContact O-N 3.17Å; T127-F130 PolarHBondContact O-N 2.86Å; F130-L132 PolarHBondContact O-N 3.06Å; F130-I133 HydrophobicContact CD2-CD1 4.15Å; F130-I133 WeakPolarHBondContact O-CB 3.42Å; F130-I133 PolarHBondContact O-N 3.31Å; F130-I133 VanDerWaalsContact O-N 3.11Å; F130-V138 HydrophobicContact CE1-CG1 4.43Å; F130-V138 HydrophobicContact CE1-CG2 4.43Å; F130-V138 HydrophobicContact CZ-CG1 3.85Å; F130-V138 HydrophobicContact CZ-CG2 4.33Å; F130-L141 HydrophobicContact CE2-CD1 3.68Å; F130-L141 HydrophobicContact CZ-CD1 4.21Å; F130-N146 VanDerWaalsContact CZ-O 3.26Å; F130-N146 WeakPolarHBondContact CZ-O 3.31Å; F130-P148 HydrophobicContact CB-CB 4.47Å; F130-P148 HydrophobicContact CB-CG 3.91Å; F130-P148 HydrophobicContact CD1-CG 3.77Å; F130-P148 HydrophobicContact CD2-CG 4.41Å; F130-P148 HydrophobicContact CE1-CG 4.41Å; F130-P148 HydrophobicContact CG-CG 3.77Å
131	K	86.2	Confident	86.8	Confident	85 Å²	85	42.5 Å²	42.5	37%	0.37	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.5	174.3	-72.2	177.3	179.6	-173.5	0	114.7	D61 T127 I129 I133	D61-K131 HydrophobicContact CB-CB 4.36Å; D61-K131 PolarHBondContact N-O 2.84Å; T127-K131 WeakPolarHBondContact O-CG 3.45Å; T127-K131 PolarHBondContact O-N 3.15Å; I129-K131 PolarHBondContact O-N 3.29Å; K131-I133 VanDerWaalsContact C-N 3.33Å
132	L	82.4	Confident	86.4	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-22.6	172.8	-59.7	177.7	0	0	0	112.6	S60 A62 Y65 I129 F130 Y188	S60-L132 VanDerWaalsContact CB-O 3.24Å; S60-L132 WeakPolarHBondContact CB-O 3.44Å; A62-L132 VanDerWaalsContact CA-CD2 3.47Å; A62-L132 HydrophobicContact CB-CD2 3.54Å; Y65-L132 HydrophobicContact CD1-CD1 3.64Å; Y65-L132 HydrophobicContact CD1-CD2 4.32Å; Y65-L132 HydrophobicContact CD1-CG 4.47Å; Y65-L132 HydrophobicContact CD2-CD1 4.13Å; Y65-L132 HydrophobicContact CE1-CD1 3.95Å; Y65-L132 HydrophobicContact CE2-CD1 4.43Å; Y65-L132 HydrophobicContact CG-CD1 3.72Å; Y65-L132 HydrophobicContact CG-CD2 4.33Å; Y65-L132 HydrophobicContact CG-CG 4.29Å; I129-L132 WeakPolarHBondContact O-CB 3.25Å; I129-L132 PolarHBondContact O-N 3.15Å; F130-L132 PolarHBondContact O-N 3.06Å; L132-Y188 HydrophobicContact CB-CD2 3.99Å; L132-Y188 HydrophobicContact CB-CE2 3.85Å; L132-Y188 HydrophobicContact CD1-CD2 4.27Å; L132-Y188 HydrophobicContact CD1-CG 4.33Å
133	I	82.1	Confident	86.1	Confident	18 Å²	18	51 Å²	51	9%	0.092	30%	0.298	C	S	.	.	S	Bend	trans	-72.6	125.6	-178.2	-56.5	174.2	0	0	0	108	F130 K131 S135 E137 V138 L141 Y188	F130-I133 HydrophobicContact CD2-CD1 4.15Å; F130-I133 WeakPolarHBondContact O-CB 3.42Å; F130-I133 PolarHBondContact O-N 3.31Å; F130-I133 VanDerWaalsContact O-N 3.11Å; K131-I133 VanDerWaalsContact C-N 3.33Å; I133-S135 PolarHBondContact O-N 3.06Å; I133-E137 HydrophobicContact CG2-CB 3.93Å; I133-V138 HydrophobicContact CG2-CG2 4.12Å; I133-L141 HydrophobicContact CD1-CD1 3.99Å; I133-Y188 HydrophobicContact CG1-CE2 4.34Å
134	P	81.1	Confident	85.9	Confident	26 Å²	26	52.8 Å²	52.8	17%	0.169	31%	0.305	C	S	.	.			trans	-53.5	137.8	174.2	-26	35.5	0	0	0	111.2	D136 E137 V138	P134-D136 WeakPolarHBondContact CB-OD1 3.02Å; P134-D136 PolarHBondContact O-N 2.88Å; P134-D136 VanDerWaalsContact O-N 3.08Å; P134-E137 HydrophobicContact CB-CG 4.21Å; P134-E137 HydrophobicContact CG-CG 4.39Å; P134-E137 PolarHBondContact O-N 2.82Å; P134-V138 PolarHBondContact O-N 2.88Å
135	S	79.6	Confident	85.6	Confident	112 Å²	112	49 Å²	49	78%	0.783	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26	-173.7	53	0	0	0	0	113.9	I133	I133-S135 PolarHBondContact O-N 3.06Å
136	D	82	Confident	85.4	Confident	127 Å²	127	51 Å²	51	68%	0.679	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.9	176.4	53.3	-38.7	0	0	0	113.5	P134	P134-D136 WeakPolarHBondContact CB-OD1 3.02Å; P134-D136 PolarHBondContact O-N 2.88Å; P134-D136 VanDerWaalsContact O-N 3.08Å
137	E	82.4	Confident	85.4	Confident	48 Å²	48	52.9 Å²	52.9	22%	0.224	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-17.3	175.4	-67.2	-179.3	-165.1	0	0	113.1	I133 P134 G139 D140 L191	I133-E137 HydrophobicContact CG2-CB 3.93Å; P134-E137 HydrophobicContact CB-CG 4.21Å; P134-E137 HydrophobicContact CG-CG 4.39Å; P134-E137 PolarHBondContact O-N 2.82Å; E137-G139 PolarHBondContact O-N 3.47Å; E137-G139 VanDerWaalsContact O-N 3.17Å; E137-D140 PolarHBondContact O-N 3.49Å; E137-L191 HydrophobicContact CB-CD1 4.4Å
138	V	81.2	Confident	85.4	Confident	40 Å²	40	51.9 Å²	51.9	24%	0.242	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-59	-31.8	-178.5	174.7	0	0	0	0	112.1	F130 I133 P134 D140 L141	F130-V138 HydrophobicContact CE1-CG1 4.43Å; F130-V138 HydrophobicContact CE1-CG2 4.43Å; F130-V138 HydrophobicContact CZ-CG1 3.85Å; F130-V138 HydrophobicContact CZ-CG2 4.33Å; I133-V138 HydrophobicContact CG2-CG2 4.12Å; P134-V138 PolarHBondContact O-N 2.88Å; V138-D140 VanDerWaalsContact C-N 3.27Å; V138-D140 PolarHBondContact O-N 3.39Å; V138-L141 HydrophobicContact CG1-CD1 4.43Å; V138-L141 WeakPolarHBondContact O-CB 3.41Å; V138-L141 PolarHBondContact O-N 3.38Å
139	G	82.1	Confident	85.5	Confident	69 Å²	69	56.8 Å²	56.8	71%	0.711	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-68.8	-21.9	178.8	0	0	0	0	0	114.6	E137	E137-G139 PolarHBondContact O-N 3.47Å; E137-G139 VanDerWaalsContact O-N 3.17Å
140	D	85.4	Confident	85.8	Confident	136 Å²	136	60.8 Å²	60.8	73%	0.727	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-92.8	-2.6	-179.2	-65	-37.5	0	0	0	112.6	E137 V138	E137-D140 PolarHBondContact O-N 3.49Å; V138-D140 VanDerWaalsContact C-N 3.27Å; V138-D140 PolarHBondContact O-N 3.39Å
141	L	85.6	Confident	86.1	Confident	19 Å²	19	60.3 Å²	60.3	10%	0.099	34%	0.341	C	S	.	.	S	Bend	trans	-71.4	146.1	178.2	-64.9	177.6	0	0	0	111.8	F130 I133 V138 N146 R151 L191	F130-L141 HydrophobicContact CE2-CD1 3.68Å; F130-L141 HydrophobicContact CZ-CD1 4.21Å; I133-L141 HydrophobicContact CD1-CD1 3.99Å; V138-L141 HydrophobicContact CG1-CD1 4.43Å; V138-L141 WeakPolarHBondContact O-CB 3.41Å; V138-L141 PolarHBondContact O-N 3.38Å; L141-N146 HydrophobicContact CB-CB 4Å; L141-R151 VanDerWaalsContact CD2-NH2 3.25Å; L141-L191 HydrophobicContact CD2-CD1 4.47Å
142	P	87.7	Confident	86.4	Confident	58 Å²	58	56.2 Å²	56.2	38%	0.377	32%	0.323	S	S	.	.			trans	-53.1	146.6	171.8	-25.7	34	0	0	0	112.9	D144 E145 N146	P142-D144 VanDerWaalsContact CB-OD1 3.3Å; P142-D144 WeakPolarHBondContact CB-OD1 3.4Å; P142-D144 PolarHBondContact O-N 3.28Å; P142-D144 VanDerWaalsContact O-N 3.08Å; P142-E145 HydrophobicContact CB-CB 4.21Å; P142-E145 HydrophobicContact CB-CG 4.37Å; P142-E145 HydrophobicContact CG-CB 4.45Å; P142-E145 CarbonylContact O-C 3.48Å; P142-E145 WeakPolarHBondContact O-CA 3.45Å; P142-E145 PolarHBondContact O-N 2.89Å; P142-N146 WeakPolarHBondContact O-CB 3.47Å; P142-N146 PolarHBondContact O-N 2.89Å
143	D	88.4	Confident	86.9	Confident	134 Å²	134	59.2 Å²	59.2	72%	0.717	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.2	-178.6	-85.9	-21.6	0	0	0	113.8	N146 K150	D143-N146 PolarHBondContact O-OD1 3.33Å; D143-K150 WeakPolarHBondContact O-CD 3.26Å; D143-K150 WeakPolarHBondContact O-CE 3.25Å; D143-K150 PolarHBondContact O-NZ 2.81Å
144	D	87.9	Confident	87.3	Confident	77 Å²	77	60.8 Å²	60.8	41%	0.412	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	6.4	177	68	-32.4	0	0	0	113.5	P142 K150 K154	P142-D144 VanDerWaalsContact CB-OD1 3.3Å; P142-D144 WeakPolarHBondContact CB-OD1 3.4Å; P142-D144 PolarHBondContact O-N 3.28Å; P142-D144 VanDerWaalsContact O-N 3.08Å; D144-K150 VanDerWaalsContact O-CB 3.28Å; D144-K150 WeakPolarHBondContact O-CB 3.28Å; D144-K154 IonicContact OD1-NZ 2.96Å; D144-K154 WeakPolarHBondContact OD2-CD 3.35Å; D144-K154 WeakPolarHBondContact OD2-CE 3.37Å; D144-K154 IonicContact OD2-NZ 2.86Å; D144-K154 PolarHBondContact OD2-NZ 3.34Å
145	E	88.4	Confident	87.8	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-1.8	-178.2	-65.1	178.6	-165	0	0	113.8	P142 T147 R151 K154 R184 L185	P142-E145 HydrophobicContact CB-CB 4.21Å; P142-E145 HydrophobicContact CB-CG 4.37Å; P142-E145 HydrophobicContact CG-CB 4.45Å; P142-E145 CarbonylContact O-C 3.48Å; P142-E145 WeakPolarHBondContact O-CA 3.45Å; P142-E145 PolarHBondContact O-N 2.89Å; E145-T147 PolarHBondContact O-N 3.31Å; E145-R151 HydrophobicContact CB-CG 4.03Å; E145-R151 HydrophobicContact CG-CG 4.41Å; E145-R151 WeakPolarHBondContact O-CG 3.46Å; E145-R151 PolarHBondContact O-NE 2.81Å; E145-K154 HydrophobicContact CG-CD 4.08Å; E145-K154 IonicContact OE1-NZ 3.94Å; E145-K154 PolarHBondContact OE1-NZ 3.29Å; E145-R184 IonicContact OE1-CZ 3.78Å; E145-R184 IonicContact OE1-NH2 3.78Å; E145-R184 PolarHBondContact OE1-NH2 2.7Å; E145-R184 IonicContact OE2-CZ 2.73Å; E145-R184 IonicContact OE2-NH1 2.69Å; E145-R184 PolarHBondContact OE2-NH1 3.36Å; E145-R184 IonicContact OE2-NH2 2.69Å; E145-R184 PolarHBondContact OE2-NH2 3.38Å; E145-L185 HydrophobicContact CG-CD2 3.97Å
146	N	88.4	Confident	88.5	Confident	42 Å²	42	54.6 Å²	54.6	23%	0.225	30%	0.301	C	S	.	.	S	Bend	trans	-78.4	8.9	-176.8	66.5	5	0	0	0	114.9	F130 L141 P142 D143 K150	F130-N146 VanDerWaalsContact CZ-O 3.26Å; F130-N146 WeakPolarHBondContact CZ-O 3.31Å; L141-N146 HydrophobicContact CB-CB 4Å; P142-N146 WeakPolarHBondContact O-CB 3.47Å; P142-N146 PolarHBondContact O-N 2.89Å; D143-N146 PolarHBondContact O-OD1 3.33Å; N146-K150 PolarHBondContact OD1-NZ 2.85Å
147	T	90.7	Very high	89	Confident	41 Å²	41	56.1 Å²	56.1	25%	0.252	30%	0.302	S	S	.	.	S	Bend	trans	-142.4	152	171.8	57.3	0	0	0	0	109.9	E145 E149 K150 R151	E145-T147 PolarHBondContact O-N 3.31Å; T147-E149 VanDerWaalsContact C-N 3.28Å; T147-E149 PolarHBondContact O-N 3.02Å; T147-K150 PolarHBondContact O-N 3.18Å; T147-K150 WeakPolarHBondContact OG1-CB 3.19Å; T147-K150 VanDerWaalsContact OG1-CD 3.31Å; T147-K150 WeakPolarHBondContact OG1-CD 3.34Å; T147-K150 WeakPolarHBondContact OG1-CG 3.39Å; T147-K150 PolarHBondContact OG1-N 3.16Å; T147-R151 PolarHBondContact O-N 3.33Å
148	P	90.2	Very high	89.5	Confident	18 Å²	18	55.6 Å²	55.6	12%	0.117	30%	0.302	C	S	.	.	H	α-helix	trans	-53	-43.2	174.2	-27.6	35.3	0	0	0	113.9	T127 F130 R151 A152	T127-P148 HydrophobicContact CG2-CB 4.41Å; T127-P148 HydrophobicContact CG2-CG 4.36Å; T127-P148 WeakPolarHBondContact OG1-CB 3.12Å; F130-P148 HydrophobicContact CB-CB 4.47Å; F130-P148 HydrophobicContact CB-CG 3.91Å; F130-P148 HydrophobicContact CD1-CG 3.77Å; F130-P148 HydrophobicContact CD2-CG 4.41Å; F130-P148 HydrophobicContact CE1-CG 4.41Å; F130-P148 HydrophobicContact CG-CG 3.77Å; P148-R151 PolarHBondContact O-N 3.02Å; P148-A152 WeakPolarHBondContact O-CB 3.37Å; P148-A152 PolarHBondContact O-N 3.38Å
149	E	92.1	Very high	90	Very high	107 Å²	107	54.7 Å²	54.7	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-66.2	-44.1	-175.3	-62.9	73.9	-163	0	0	110.8	T147 R151 A152 D153	T147-E149 VanDerWaalsContact C-N 3.28Å; T147-E149 PolarHBondContact O-N 3.02Å; E149-R151 PolarHBondContact O-N 2.82Å; E149-A152 PolarHBondContact O-N 2.71Å; E149-D153 WeakPolarHBondContact O-CB 3.36Å; E149-D153 PolarHBondContact O-N 3.22Å
150	K	92.4	Very high	90.4	Very high	86 Å²	86	58.8 Å²	58.8	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-65.1	-39.1	177.4	-67.2	175.1	-172.9	174.2	0	112	D143 D144 N146 T147 D153 K154	D143-K150 WeakPolarHBondContact O-CD 3.26Å; D143-K150 WeakPolarHBondContact O-CE 3.25Å; D143-K150 PolarHBondContact O-NZ 2.81Å; D144-K150 VanDerWaalsContact O-CB 3.28Å; D144-K150 WeakPolarHBondContact O-CB 3.28Å; N146-K150 PolarHBondContact OD1-NZ 2.85Å; T147-K150 PolarHBondContact O-N 3.18Å; T147-K150 WeakPolarHBondContact OG1-CB 3.19Å; T147-K150 VanDerWaalsContact OG1-CD 3.31Å; T147-K150 WeakPolarHBondContact OG1-CD 3.34Å; T147-K150 WeakPolarHBondContact OG1-CG 3.39Å; T147-K150 PolarHBondContact OG1-N 3.16Å; K150-D153 PolarHBondContact O-N 3.05Å; K150-K154 VanDerWaalsContact O-CB 3.22Å; K150-K154 WeakPolarHBondContact O-CB 3.48Å; K150-K154 PolarHBondContact O-N 3.18Å
151	R	91	Very high	90.7	Very high	21 Å²	21	55.1 Å²	55.1	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-45.6	173.7	-70.6	-172	178.6	-150.7	-2.2	111.6	L141 E145 T147 P148 E149 K154 L155 L185	L141-R151 VanDerWaalsContact CD2-NH2 3.25Å; E145-R151 HydrophobicContact CB-CG 4.03Å; E145-R151 HydrophobicContact CG-CG 4.41Å; E145-R151 WeakPolarHBondContact O-CG 3.46Å; E145-R151 PolarHBondContact O-NE 2.81Å; T147-R151 PolarHBondContact O-N 3.33Å; P148-R151 PolarHBondContact O-N 3.02Å; E149-R151 PolarHBondContact O-N 2.82Å; R151-K154 PolarHBondContact O-N 3.25Å; R151-L155 WeakPolarHBondContact O-CB 3.48Å; R151-L155 PolarHBondContact O-N 3.42Å; R151-L185 HydrophobicContact CB-CD2 4.46Å; R151-L185 HydrophobicContact CG-CD2 4.09Å
152	A	92.8	Very high	91	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-45.4	178.2	0	0	0	0	0	111.4	V122 T123 C126 P148 E149 L155 W156	V122-A152 HydrophobicContact CG1-CB 4.07Å; T123-A152 HydrophobicContact CG2-CB 4.39Å; C126-A152 HydrophobicContact CB-CB 4.09Å; P148-A152 WeakPolarHBondContact O-CB 3.37Å; P148-A152 PolarHBondContact O-N 3.38Å; E149-A152 PolarHBondContact O-N 2.71Å; A152-L155 PolarHBondContact O-N 3.32Å; A152-W156 VanDerWaalsContact O-CB 3.31Å; A152-W156 WeakPolarHBondContact O-CB 3.46Å; A152-W156 PolarHBondContact O-N 3.48Å
153	D	92.7	Very high	91	Very high	64 Å²	64	58.4 Å²	58.4	34%	0.342	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-40.8	176.1	-80.8	-29	0	0	0	112	K119 E149 K150 W156 K157	K119-D153 WeakPolarHBondContact CE-OD1 3.39Å; K119-D153 IonicContact NZ-OD1 2.7Å; K119-D153 PolarHBondContact NZ-OD1 3.02Å; E149-D153 WeakPolarHBondContact O-CB 3.36Å; E149-D153 PolarHBondContact O-N 3.22Å; K150-D153 PolarHBondContact O-N 3.05Å; D153-W156 PolarHBondContact O-N 3.36Å; D153-K157 VanDerWaalsContact O-CG 3.22Å; D153-K157 WeakPolarHBondContact O-CG 3.47Å; D153-K157 PolarHBondContact O-N 2.9Å
154	K	91.7	Very high	91.1	Very high	51 Å²	51	59.6 Å²	59.6	22%	0.222	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-43.4	176.6	-173.3	170	-179.9	172.9	0	111.2	D144 E145 K150 R151 L185	D144-K154 IonicContact OD1-NZ 2.96Å; D144-K154 WeakPolarHBondContact OD2-CD 3.35Å; D144-K154 WeakPolarHBondContact OD2-CE 3.37Å; D144-K154 IonicContact OD2-NZ 2.86Å; D144-K154 PolarHBondContact OD2-NZ 3.34Å; E145-K154 HydrophobicContact CG-CD 4.08Å; E145-K154 IonicContact OE1-NZ 3.94Å; E145-K154 PolarHBondContact OE1-NZ 3.29Å; K150-K154 VanDerWaalsContact O-CB 3.22Å; K150-K154 WeakPolarHBondContact O-CB 3.48Å; K150-K154 PolarHBondContact O-N 3.18Å; R151-K154 PolarHBondContact O-N 3.25Å; K154-L185 HydrophobicContact CB-CD1 4.15Å; K154-L185 HydrophobicContact CD-CD1 4.04Å; K154-L185 HydrophobicContact CG-CD1 3.93Å
155	L	91.6	Very high	91.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-43.6	175.3	-178.2	58.8	0	0	0	111.8	F109 V122 R151 A152 K157 V158 F159 L176 A182 L185 I186	F109-L155 HydrophobicContact CE1-CD2 3.84Å; F109-L155 HydrophobicContact CZ-CD2 3.85Å; V122-L155 HydrophobicContact CG1-CB 4.37Å; V122-L155 HydrophobicContact CG1-CD2 3.91Å; V122-L155 HydrophobicContact CG1-CG 4.3Å; R151-L155 WeakPolarHBondContact O-CB 3.48Å; R151-L155 PolarHBondContact O-N 3.42Å; A152-L155 PolarHBondContact O-N 3.32Å; L155-K157 VanDerWaalsContact C-N 3.3Å; L155-K157 PolarHBondContact O-N 2.83Å; L155-V158 WeakPolarHBondContact O-CB 3.5Å; L155-V158 VanDerWaalsContact O-CG2 3.24Å; L155-V158 WeakPolarHBondContact O-CG2 3.46Å; L155-V158 PolarHBondContact O-N 3.3Å; L155-V158 VanDerWaalsContact O-N 3.14Å; L155-F159 HydrophobicContact CG-CE2 4.45Å; L155-L176 HydrophobicContact CD1-CD2 3.84Å; L155-A182 HydrophobicContact CD1-CB 3.92Å; L155-L185 HydrophobicContact CB-CD1 4.43Å; L155-I186 HydrophobicContact CD1-CG2 4.12Å; L155-I186 HydrophobicContact CD2-CG2 3.53Å
156	W	94.6	Very high	91.9	Very high	7 Å²	7	66.2 Å²	66.2	3%	0.027	33%	0.333	C	S	.	.	H	α-helix	trans	-63	-36.1	-179.7	-168.4	-107.6	0	0	0	112.6	K119 V122 A152 D153 V158 F159 K161 G162 V167	K119-W156 HydrophobicContact CB-CD2 3.86Å; K119-W156 HydrophobicContact CB-CE3 4.15Å; K119-W156 HydrophobicContact CB-CG 4.38Å; K119-W156 HydrophobicContact CB-CH2 4.23Å; K119-W156 HydrophobicContact CB-CZ2 3.95Å; K119-W156 HydrophobicContact CB-CZ3 4.32Å; K119-W156 HydrophobicContact CD-CD2 4.45Å; K119-W156 HydrophobicContact CD-CG 4.13Å; K119-W156 HydrophobicContact CG-CB 4.47Å; K119-W156 HydrophobicContact CG-CD2 3.91Å; K119-W156 HydrophobicContact CG-CE3 4.42Å; K119-W156 HydrophobicContact CG-CG 3.91Å; K119-W156 VanDerWaalsContact N-CH2 3.33Å; V122-W156 HydrophobicContact CB-CE3 4.45Å; V122-W156 HydrophobicContact CG2-CE3 3.89Å; V122-W156 HydrophobicContact CG2-CZ3 4.07Å; A152-W156 VanDerWaalsContact O-CB 3.31Å; A152-W156 WeakPolarHBondContact O-CB 3.46Å; A152-W156 PolarHBondContact O-N 3.48Å; D153-W156 PolarHBondContact O-N 3.36Å; W156-V158 PolarHBondContact O-N 3.22Å; W156-V158 VanDerWaalsContact O-N 3.16Å; W156-F159 HydrophobicContact CE3-CD2 4.2Å; W156-F159 PolarHBondContact O-N 2.93Å; W156-F159 VanDerWaalsContact O-N 3.11Å; W156-K161 HydrophobicContact CZ2-CB 3.84Å; W156-K161 PolarHBondContact NE1-O 3.08Å; W156-G162 WeakPolarHBondContact CZ2-O 3.23Å; W156-G162 PolarHBondContact NE1-O 2.74Å; W156-G162 VanDerWaalsContact NE1-O 3.15Å; W156-V167 HydrophobicContact CH2-CG2 3.79Å; W156-V167 HydrophobicContact CZ3-CG2 3.77Å
157	K	92.2	Very high	92.3	Very high	159 Å²	159	64.2 Å²	64.2	69%	0.691	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-59.7	-24	176.2	-78.5	170.7	-175.3	176.1	0	113.8	D153 L155 F159 D160	D153-K157 VanDerWaalsContact O-CG 3.22Å; D153-K157 WeakPolarHBondContact O-CG 3.47Å; D153-K157 PolarHBondContact O-N 2.9Å; L155-K157 VanDerWaalsContact C-N 3.3Å; L155-K157 PolarHBondContact O-N 2.83Å; K157-F159 PolarHBondContact O-N 3.33Å; K157-D160 PolarHBondContact O-N 3.27Å
158	V	91.9	Very high	92.5	Very high	37 Å²	37	63.8 Å²	63.8	22%	0.224	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-61.8	-31.2	177.9	-179.8	0	0	0	0	111.2	L155 W156 G175 N179 A182	L155-V158 WeakPolarHBondContact O-CB 3.5Å; L155-V158 VanDerWaalsContact O-CG2 3.24Å; L155-V158 WeakPolarHBondContact O-CG2 3.46Å; L155-V158 PolarHBondContact O-N 3.3Å; L155-V158 VanDerWaalsContact O-N 3.14Å; W156-V158 PolarHBondContact O-N 3.22Å; W156-V158 VanDerWaalsContact O-N 3.16Å; V158-G175 WeakPolarHBondContact CG1-O 3.31Å; V158-N179 HydrophobicContact CG1-CB 3.96Å; V158-A182 HydrophobicContact CB-CB 4.44Å; V158-A182 HydrophobicContact CG1-CB 4.21Å; V158-A182 HydrophobicContact CG2-CB 3.57Å
159	F	91.8	Very high	92.7	Very high	21 Å²	21	67 Å²	67	9%	0.092	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-89	-7.4	-176.2	-52	-60.8	0	0	0	113.5	L155 W156 K157 K161 V167 F172	L155-F159 HydrophobicContact CG-CE2 4.45Å; W156-F159 HydrophobicContact CE3-CD2 4.2Å; W156-F159 PolarHBondContact O-N 2.93Å; W156-F159 VanDerWaalsContact O-N 3.11Å; K157-F159 PolarHBondContact O-N 3.33Å; F159-K161 VanDerWaalsContact C-N 3.27Å; F159-K161 HydrophobicContact CB-CB 4.48Å; F159-K161 HydrophobicContact CB-CG 3.79Å; F159-K161 WeakPolarHBondContact O-CG 3.44Å; F159-K161 PolarHBondContact O-N 3.26Å; F159-V167 HydrophobicContact CB-CG2 3.87Å; F159-V167 HydrophobicContact CD1-CG1 3.99Å; F159-V167 HydrophobicContact CD1-CG2 4.4Å; F159-V167 HydrophobicContact CD2-CG2 3.87Å; F159-V167 HydrophobicContact CE1-CG1 4.21Å; F159-V167 HydrophobicContact CG-CG1 4.19Å; F159-V167 HydrophobicContact CG-CG2 3.78Å; F159-F172 HydrophobicContact CE1-CD2 4.17Å; F159-F172 HydrophobicContact CE2-CD2 4.36Å; F159-F172 AromaticContact CZ-CD2 3.58Å; F159-F172 HydrophobicContact CZ-CD2 3.58Å; F159-F172 HydrophobicContact CZ-CE2 4.1Å; F159-F172 HydrophobicContact CZ-CG 4.46Å
160	D	91.1	Very high	92.7	Very high	155 Å²	155	64.5 Å²	64.5	83%	0.829	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	46.3	-176.7	-164.8	30	0	0	0	112.8	K157	K157-D160 PolarHBondContact O-N 3.27Å
161	K	91	Very high	92.8	Very high	60 Å²	60	64.4 Å²	64.4	26%	0.261	34%	0.34	S	S	.	.			trans	-112.2	149.3	-176.9	-66.8	-65.1	-179.8	170	0	111.2	W156 F159 D165 V167 E171	W156-K161 HydrophobicContact CZ2-CB 3.84Å; W156-K161 PolarHBondContact NE1-O 3.08Å; F159-K161 VanDerWaalsContact C-N 3.27Å; F159-K161 HydrophobicContact CB-CB 4.48Å; F159-K161 HydrophobicContact CB-CG 3.79Å; F159-K161 WeakPolarHBondContact O-CG 3.44Å; F159-K161 PolarHBondContact O-N 3.26Å; K161-D165 HydrophobicContact CB-CB 3.76Å; K161-D165 HydrophobicContact CD-CB 3.98Å; K161-D165 HydrophobicContact CG-CB 4.21Å; K161-V167 HydrophobicContact CG-CG2 4.06Å; K161-E171 IonicContact NZ-OE1 3.94Å; K161-E171 PolarHBondContact NZ-OE1 3.46Å; K161-E171 IonicContact NZ-OE2 3.83Å; K161-E171 PolarHBondContact NZ-OE2 2.97Å; K161-E171 VanDerWaalsContact NZ-OE2 3.14Å
162	G	91.9	Very high	92.9	Very high	37 Å²	37	63.4 Å²	63.4	38%	0.381	34%	0.336	S	S	.	.			trans	-71	171.8	168.4	0	0	0	0	0	112.8	W156 N164 D165	W156-G162 WeakPolarHBondContact CZ2-O 3.23Å; W156-G162 PolarHBondContact NE1-O 2.74Å; W156-G162 VanDerWaalsContact NE1-O 3.15Å; G162-N164 VanDerWaalsContact C-N 3.26Å; G162-N164 PolarHBondContact O-N 3.22Å; G162-D165 PolarHBondContact N-OD2 3.14Å; G162-D165 WeakPolarHBondContact O-CB 3.33Å; G162-D165 PolarHBondContact O-N 3.28Å
163	D	88.8	Confident	92.8	Very high	108 Å²	108	64.8 Å²	64.8	58%	0.578	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.8	-174.8	-69.9	-29.1	0	0	0	114.3	K119	K119-D163 HydrophobicContact CD-CB 4.37Å; K119-D163 VanDerWaalsContact CD-OD1 3.25Å; K119-D163 WeakPolarHBondContact CD-OD1 3.26Å; K119-D163 IonicContact NZ-OD1 3.8Å; K119-D163 PolarHBondContact NZ-OD1 3.15Å
164	N	90.9	Very high	92.7	Very high	160 Å²	160	67.4 Å²	67.4	86%	0.856	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	3.5	-180	-63.2	-46.4	0	0	0	113.3	G162	G162-N164 VanDerWaalsContact C-N 3.26Å; G162-N164 PolarHBondContact O-N 3.22Å
165	D	95.6	Very high	92.6	Very high	77 Å²	77	65.5 Å²	65.5	41%	0.412	35%	0.346	S	S	.	.			trans	-79.9	171.2	179.4	-75.6	-21.8	0	0	0	111.2	K161 G162	K161-D165 HydrophobicContact CB-CB 3.76Å; K161-D165 HydrophobicContact CD-CB 3.98Å; K161-D165 HydrophobicContact CG-CB 4.21Å; G162-D165 PolarHBondContact N-OD2 3.14Å; G162-D165 WeakPolarHBondContact O-CB 3.33Å; G162-D165 PolarHBondContact O-N 3.28Å
166	R	96.1	Very high	92.5	Very high	140 Å²	140	65.5 Å²	65.5	53%	0.528	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.8	-177.4	-63.9	-171.8	-170.4	-167.7	-1.6	110.2	Y116 I117 T118	Y116-R166 HydrophobicContact CD1-CB 4.13Å; Y116-R166 HydrophobicContact CG-CB 4.32Å; I117-R166 WeakPolarHBondContact O-CA 3.42Å; T118-R166 HydrophobicContact CG2-CG 4.3Å
167	V	96.4	Very high	92.1	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.5	178.7	-178.8	0	0	0	0	108.9	Y116 I117 W156 F159 K161 E171 F172	Y116-V167 WeakPolarHBondContact CA-O 3.22Å; I117-V167 HydrophobicContact CB-CB 4.42Å; I117-V167 PolarHBondContact N-O 2.86Å; I117-V167 PolarHBondContact O-N 3.32Å; W156-V167 HydrophobicContact CH2-CG2 3.79Å; W156-V167 HydrophobicContact CZ3-CG2 3.77Å; F159-V167 HydrophobicContact CB-CG2 3.87Å; F159-V167 HydrophobicContact CD1-CG1 3.99Å; F159-V167 HydrophobicContact CD1-CG2 4.4Å; F159-V167 HydrophobicContact CD2-CG2 3.87Å; F159-V167 HydrophobicContact CE1-CG1 4.21Å; F159-V167 HydrophobicContact CG-CG1 4.19Å; F159-V167 HydrophobicContact CG-CG2 3.78Å; K161-V167 HydrophobicContact CG-CG2 4.06Å; V167-E171 HydrophobicContact CG1-CB 3.86Å; V167-F172 HydrophobicContact CG1-CB 3.88Å
168	A	96.1	Very high	91.9	Very high	32 Å²	32	68.8 Å²	68.8	26%	0.264	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	160.2	173.9	0	0	0	0	0	111.3	Y116 G170 E171 F172	Y116-A168 HydrophobicContact CD1-CB 4.14Å; Y116-A168 HydrophobicContact CE1-CB 4.05Å; A168-G170 VanDerWaalsContact C-N 3.33Å; A168-G170 PolarHBondContact O-N 3.04Å; A168-E171 PolarHBondContact N-OE2 3.21Å; A168-E171 WeakPolarHBondContact O-CB 3.22Å; A168-E171 PolarHBondContact O-N 3.36Å; A168-F172 PolarHBondContact O-N 3.36Å
169	E	93.8	Very high	91.6	Very high	85 Å²	85	69.6 Å²	69.6	40%	0.397	37%	0.37	S	S	.	.	H	α-helix	trans	-50.1	-47.8	-177.6	-175.5	-179.5	-168.3	0	0	113.8	F106 E171 F172 I173	F106-E169 HydrophobicContact CB-CG 4.23Å; F106-E169 HydrophobicContact CD1-CB 3.95Å; F106-E169 HydrophobicContact CD1-CG 3.97Å; F106-E169 VanDerWaalsContact CD2-CA 3.47Å; F106-E169 HydrophobicContact CD2-CB 3.96Å; F106-E169 HydrophobicContact CD2-CG 4.21Å; F106-E169 HydrophobicContact CE1-CB 3.93Å; F106-E169 HydrophobicContact CE1-CG 4.45Å; F106-E169 HydrophobicContact CE2-CB 3.93Å; F106-E169 VanDerWaalsContact CE2-N 3.3Å; F106-E169 HydrophobicContact CG-CB 3.98Å; F106-E169 HydrophobicContact CG-CG 3.84Å; F106-E169 HydrophobicContact CZ-CB 3.92Å; E169-E171 VanDerWaalsContact C-N 3.32Å; E169-E171 PolarHBondContact O-N 2.93Å; E169-F172 WeakPolarHBondContact O-CB 3.38Å; E169-F172 PolarHBondContact O-N 3.11Å; E169-I173 HydrophobicContact CG-CD1 3.79Å; E169-I173 HydrophobicContact CG-CG1 4.38Å; E169-I173 WeakPolarHBondContact O-CG1 3.22Å; E169-I173 PolarHBondContact O-N 3.11Å
170	G	93	Very high	91	Very high	54 Å²	54	76.8 Å²	76.8	56%	0.557	40%	0.403	S	S	*	.	H	α-helix	trans	-63.4	-35.5	179	0	0	0	0	0	113.7	A168 K174	A168-G170 VanDerWaalsContact C-N 3.33Å; A168-G170 PolarHBondContact O-N 3.04Å; G170-K174 VanDerWaalsContact O-CB 3.23Å; G170-K174 WeakPolarHBondContact O-CB 3.24Å; G170-K174 PolarHBondContact O-N 3.16Å; G170-K174 VanDerWaalsContact O-N 3.11Å
171	E	93.5	Very high	90.6	Very high	84 Å²	84	73.6 Å²	73.6	39%	0.393	39%	0.386	S	S	.	.	H	α-helix	trans	-70.1	-40.9	175.1	-65.5	-177.4	136.4	0	0	110.8	K161 V167 A168 E169 K174 G175	K161-E171 IonicContact NZ-OE1 3.94Å; K161-E171 PolarHBondContact NZ-OE1 3.46Å; K161-E171 IonicContact NZ-OE2 3.83Å; K161-E171 PolarHBondContact NZ-OE2 2.97Å; K161-E171 VanDerWaalsContact NZ-OE2 3.14Å; V167-E171 HydrophobicContact CG1-CB 3.86Å; A168-E171 PolarHBondContact N-OE2 3.21Å; A168-E171 WeakPolarHBondContact O-CB 3.22Å; A168-E171 PolarHBondContact O-N 3.36Å; E169-E171 VanDerWaalsContact C-N 3.32Å; E169-E171 PolarHBondContact O-N 2.93Å; E171-K174 PolarHBondContact O-N 3.2Å; E171-G175 PolarHBondContact O-N 2.87Å
172	F	93.1	Very high	90.2	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-61.1	-52.9	177.5	-178.4	-99.7	0	0	0	111.7	A105 F106 F109 I117 F159 V167 A168 E169 K174 G175 L176	A105-F172 HydrophobicContact CB-CE1 4Å; A105-F172 HydrophobicContact CB-CZ 4.34Å; F106-F172 HydrophobicContact CB-CD1 3.83Å; F106-F172 HydrophobicContact CB-CE1 4.06Å; F106-F172 HydrophobicContact CD2-CB 3.71Å; F106-F172 AromaticContact CD2-CD1 3.89Å; F106-F172 HydrophobicContact CD2-CD1 3.89Å; F106-F172 AromaticContact CD2-CG 3.82Å; F106-F172 HydrophobicContact CD2-CG 3.82Å; F106-F172 HydrophobicContact CE2-CB 4.23Å; F106-F172 HydrophobicContact CG-CD1 4.38Å; F109-F172 HydrophobicContact CD2-CE2 4.36Å; F109-F172 AromaticContact CD2-CZ 3.9Å; F109-F172 HydrophobicContact CD2-CZ 3.9Å; F109-F172 HydrophobicContact CE2-CZ 4.34Å; F109-F172 HydrophobicContact CG-CE2 4.31Å; F109-F172 HydrophobicContact CG-CZ 4.26Å; I117-F172 HydrophobicContact CD1-CB 4.44Å; I117-F172 HydrophobicContact CD1-CD2 3.52Å; I117-F172 HydrophobicContact CD1-CE2 3.74Å; I117-F172 HydrophobicContact CD1-CG 3.93Å; I117-F172 HydrophobicContact CD1-CZ 4.3Å; F159-F172 HydrophobicContact CE1-CD2 4.17Å; F159-F172 HydrophobicContact CE2-CD2 4.36Å; F159-F172 AromaticContact CZ-CD2 3.58Å; F159-F172 HydrophobicContact CZ-CD2 3.58Å; F159-F172 HydrophobicContact CZ-CE2 4.1Å; F159-F172 HydrophobicContact CZ-CG 4.46Å; V167-F172 HydrophobicContact CG1-CB 3.88Å; A168-F172 PolarHBondContact O-N 3.36Å; E169-F172 WeakPolarHBondContact O-CB 3.38Å; E169-F172 PolarHBondContact O-N 3.11Å; F172-K174 VanDerWaalsContact C-N 3.32Å; F172-K174 PolarHBondContact O-N 2.91Å; F172-G175 PolarHBondContact O-N 2.87Å; F172-L176 HydrophobicContact CD1-CD1 3.8Å; F172-L176 HydrophobicContact CD2-CD1 4.29Å; F172-L176 HydrophobicContact CE1-CD1 3.3Å; F172-L176 HydrophobicContact CE2-CD1 3.85Å; F172-L176 HydrophobicContact CG-CD1 4.28Å; F172-L176 HydrophobicContact CZ-CD1 3.35Å; F172-L176 HydrophobicContact CZ-CG 4.49Å; F172-L176 WeakPolarHBondContact O-CG 3.3Å; F172-L176 PolarHBondContact O-N 3.46Å; F172-L176 VanDerWaalsContact O-N 3.07Å
173	I	90.7	Very high	89.7	Confident	29 Å²	29	70.7 Å²	70.7	15%	0.149	37%	0.365	C	S	.	.	H	α-helix	trans	-59.9	-45.4	179.2	-65.9	173.2	0	0	0	110.2	L102 E103 E169 L176 L177	L102-I173 HydrophobicContact CB-CG1 4.01Å; L102-I173 HydrophobicContact CB-CG2 4.34Å; L102-I173 HydrophobicContact CD1-CG2 4.03Å; E103-I173 HydrophobicContact CG-CD1 3.82Å; E169-I173 HydrophobicContact CG-CD1 3.79Å; E169-I173 HydrophobicContact CG-CG1 4.38Å; E169-I173 WeakPolarHBondContact O-CG1 3.22Å; E169-I173 PolarHBondContact O-N 3.11Å; I173-L176 PolarHBondContact O-N 3.32Å; I173-L177 HydrophobicContact CG2-CD1 3.79Å; I173-L177 HydrophobicContact CG2-CG 4.37Å; I173-L177 WeakPolarHBondContact O-CB 3.46Å; I173-L177 VanDerWaalsContact O-CG 3.29Å; I173-L177 WeakPolarHBondContact O-CG 3.29Å; I173-L177 PolarHBondContact O-N 3.42Å
174	K	91.1	Very high	89.4	Confident	120 Å²	120	70.6 Å²	70.6	52%	0.522	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-48.5	179	-175.6	-176.1	174.2	-168.4	0	111.7	G170 E171 F172 L176 L177 E178	G170-K174 VanDerWaalsContact O-CB 3.23Å; G170-K174 WeakPolarHBondContact O-CB 3.24Å; G170-K174 PolarHBondContact O-N 3.16Å; G170-K174 VanDerWaalsContact O-N 3.11Å; E171-K174 PolarHBondContact O-N 3.2Å; F172-K174 VanDerWaalsContact C-N 3.32Å; F172-K174 PolarHBondContact O-N 2.91Å; K174-L176 VanDerWaalsContact C-N 3.28Å; K174-L176 PolarHBondContact O-N 3.41Å; K174-L177 PolarHBondContact O-N 3.14Å; K174-E178 VanDerWaalsContact CE-CD 3.42Å; K174-E178 WeakPolarHBondContact CE-OE1 3.4Å; K174-E178 WeakPolarHBondContact CE-OE2 3.49Å; K174-E178 HydrophobicContact CG-CG 4.41Å; K174-E178 IonicContact NZ-OE1 2.9Å; K174-E178 WeakPolarHBondContact O-CG 3.37Å; K174-E178 PolarHBondContact O-N 3.07Å
175	G	90	Very high	88.7	Confident	10 Å²	10	63.2 Å²	63.2	10%	0.103	32%	0.317	C	S	.	.	H	α-helix	trans	-59.2	-39.2	-179.3	0	0	0	0	0	112.6	V158 E171 F172 N179	V158-G175 WeakPolarHBondContact CG1-O 3.31Å; E171-G175 PolarHBondContact O-N 2.87Å; F172-G175 PolarHBondContact O-N 2.87Å; G175-N179 VanDerWaalsContact O-CB 3.29Å; G175-N179 WeakPolarHBondContact O-CB 3.45Å; G175-N179 PolarHBondContact O-N 3.33Å
176	L	89.1	Confident	87.9	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-76.4	-29.5	177.9	-66.3	177.6	0	0	0	114.1	L102 L155 F172 I173 K174 A182 I186	L102-L176 HydrophobicContact CD2-CB 3.79Å; L102-L176 HydrophobicContact CD2-CD1 3.57Å; L102-L176 HydrophobicContact CD2-CG 4.36Å; L155-L176 HydrophobicContact CD1-CD2 3.84Å; F172-L176 HydrophobicContact CD1-CD1 3.8Å; F172-L176 HydrophobicContact CD2-CD1 4.29Å; F172-L176 HydrophobicContact CE1-CD1 3.3Å; F172-L176 HydrophobicContact CE2-CD1 3.85Å; F172-L176 HydrophobicContact CG-CD1 4.28Å; F172-L176 HydrophobicContact CZ-CD1 3.35Å; F172-L176 HydrophobicContact CZ-CG 4.49Å; F172-L176 WeakPolarHBondContact O-CG 3.3Å; F172-L176 PolarHBondContact O-N 3.46Å; F172-L176 VanDerWaalsContact O-N 3.07Å; I173-L176 PolarHBondContact O-N 3.32Å; K174-L176 VanDerWaalsContact C-N 3.28Å; K174-L176 PolarHBondContact O-N 3.41Å; L176-A182 HydrophobicContact CD2-CB 3.63Å; L176-I186 HydrophobicContact CD1-CD1 3.46Å; L176-I186 VanDerWaalsContact CD1-CD1 3.46Å; L176-I186 HydrophobicContact CD1-CG1 4.45Å; L176-I186 HydrophobicContact CD2-CD1 4.36Å
177	L	86.6	Confident	86.5	Confident	92 Å²	92	57 Å²	57	48%	0.482	29%	0.292	S	S	.	.	H	α-helix	trans	-74.1	-30.6	174.3	-74.3	174	0	0	0	112.6	T98 L102 I173 K174	T98-L177 HydrophobicContact CG2-CD2 3.96Å; L102-L177 HydrophobicContact CD1-CD1 4.26Å; L102-L177 HydrophobicContact CD1-CD2 3.56Å; L102-L177 HydrophobicContact CD1-CG 3.56Å; I173-L177 HydrophobicContact CG2-CD1 3.79Å; I173-L177 HydrophobicContact CG2-CG 4.37Å; I173-L177 WeakPolarHBondContact O-CB 3.46Å; I173-L177 VanDerWaalsContact O-CG 3.29Å; I173-L177 WeakPolarHBondContact O-CG 3.29Å; I173-L177 PolarHBondContact O-N 3.42Å; K174-L177 PolarHBondContact O-N 3.14Å
178	E	87.8	Confident	84.6	Confident	142 Å²	142	60 Å²	60	66%	0.664	30%	0.304	S	S	*	.	H	α-helix	trans	-87.8	-7.5	-179.9	-67.8	177.8	172.9	0	0	112.8	K174	K174-E178 VanDerWaalsContact CE-CD 3.42Å; K174-E178 WeakPolarHBondContact CE-OE1 3.4Å; K174-E178 WeakPolarHBondContact CE-OE2 3.49Å; K174-E178 HydrophobicContact CG-CG 4.41Å; K174-E178 IonicContact NZ-OE1 2.9Å; K174-E178 WeakPolarHBondContact O-CG 3.37Å; K174-E178 PolarHBondContact O-N 3.07Å
179	N	85.3	Confident	82.6	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.294	32%	0.322	S	S	.	.			trans	-134.8	100.6	-176.6	-167.7	-44.5	0	0	0	112.4	V158 G175 D181 A182 L183	V158-N179 HydrophobicContact CG1-CB 3.96Å; G175-N179 VanDerWaalsContact O-CB 3.29Å; G175-N179 WeakPolarHBondContact O-CB 3.45Å; G175-N179 PolarHBondContact O-N 3.33Å; N179-D181 VanDerWaalsContact C-N 3.3Å; N179-D181 PolarHBondContact O-N 3Å; N179-D181 WeakPolarHBondContact OD1-CB 3.46Å; N179-D181 PolarHBondContact OD1-N 2.73Å; N179-D181 VanDerWaalsContact OD1-N 3.15Å; N179-A182 HydrophobicContact CB-CB 3.82Å; N179-A182 WeakPolarHBondContact O-CB 3.29Å; N179-A182 PolarHBondContact O-N 3.49Å; N179-A182 PolarHBondContact OD1-N 3.38Å; N179-L183 PolarHBondContact O-N 3.47Å; N179-L183 VanDerWaalsContact O-N 3.1Å
180	E	80.2	Confident	80.3	Confident	171 Å²	171	65.1 Å²	65.1	80%	0.799	33%	0.33	S	S	*	.	H	α-helix	trans	-62.6	-33.7	-179.5	-66	-171.9	164.8	0	0	113.1	L183 R184	E180-L183 PolarHBondContact O-N 2.95Å; E180-R184 PolarHBondContact O-N 3.25Å
181	D	81.8	Confident	77.8	Confident	88 Å²	88	67.2 Å²	67.2	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-66.4	-42.1	177	-73.5	-32.4	0	0	0	111.2	N179 L183 R184 L185	N179-D181 VanDerWaalsContact C-N 3.3Å; N179-D181 PolarHBondContact O-N 3Å; N179-D181 WeakPolarHBondContact OD1-CB 3.46Å; N179-D181 PolarHBondContact OD1-N 2.73Å; N179-D181 VanDerWaalsContact OD1-N 3.15Å; D181-L183 VanDerWaalsContact C-N 3.32Å; D181-L183 PolarHBondContact O-N 3.24Å; D181-R184 PolarHBondContact O-N 2.69Å; D181-L185 WeakPolarHBondContact O-CG 2.89Å; D181-L185 PolarHBondContact O-N 3.03Å
182	A	83	Confident	74.9	Confident	2 Å²	2	76.3 Å²	76.3	2%	0.017	37%	0.366	C	S	.	.	H	α-helix	trans	-63.5	-40.6	176.6	0	0	0	0	0	111.7	L155 V158 L176 N179 R184 L185 I186	L155-A182 HydrophobicContact CD1-CB 3.92Å; V158-A182 HydrophobicContact CB-CB 4.44Å; V158-A182 HydrophobicContact CG1-CB 4.21Å; V158-A182 HydrophobicContact CG2-CB 3.57Å; L176-A182 HydrophobicContact CD2-CB 3.63Å; N179-A182 HydrophobicContact CB-CB 3.82Å; N179-A182 WeakPolarHBondContact O-CB 3.29Å; N179-A182 PolarHBondContact O-N 3.49Å; N179-A182 PolarHBondContact OD1-N 3.38Å; A182-R184 VanDerWaalsContact C-N 3.32Å; A182-R184 PolarHBondContact O-N 3.1Å; A182-L185 PolarHBondContact O-N 2.75Å; A182-I186 PolarHBondContact O-N 3.33Å
183	L	80.9	Confident	74	Confident	35 Å²	35	80.2 Å²	80.2	18%	0.183	38%	0.384	C	S	.	.	H	α-helix	trans	-61.8	-40.9	175.4	-172.2	64	0	0	0	111.5	L102 N179 E180 D181 I186 Q187	L102-L183 HydrophobicContact CD2-CD1 3.73Å; N179-L183 PolarHBondContact O-N 3.47Å; N179-L183 VanDerWaalsContact O-N 3.1Å; E180-L183 PolarHBondContact O-N 2.95Å; D181-L183 VanDerWaalsContact C-N 3.32Å; D181-L183 PolarHBondContact O-N 3.24Å; L183-I186 HydrophobicContact CD1-CD1 4.43Å; L183-I186 VanDerWaalsContact O-CG1 3.26Å; L183-I186 WeakPolarHBondContact O-CG1 3.33Å; L183-I186 PolarHBondContact O-N 2.86Å; L183-Q187 VanDerWaalsContact CD1-NE2 3.3Å; L183-Q187 WeakPolarHBondContact O-CG 3.43Å; L183-Q187 PolarHBondContact O-N 3.3Å
184	R	82.5	Confident	73.1	Confident	106 Å²	106	82.8 Å²	82.8	40%	0.4	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-37.5	174.9	-175.3	-178.4	60.7	80.1	2.3	112.2	E145 E180 D181 A182 I186 Q187	E145-R184 IonicContact OE1-CZ 3.78Å; E145-R184 IonicContact OE1-NH2 3.78Å; E145-R184 PolarHBondContact OE1-NH2 2.7Å; E145-R184 IonicContact OE2-CZ 2.73Å; E145-R184 IonicContact OE2-NH1 2.69Å; E145-R184 PolarHBondContact OE2-NH1 3.36Å; E145-R184 IonicContact OE2-NH2 2.69Å; E145-R184 PolarHBondContact OE2-NH2 3.38Å; E180-R184 PolarHBondContact O-N 3.25Å; D181-R184 PolarHBondContact O-N 2.69Å; A182-R184 VanDerWaalsContact C-N 3.32Å; A182-R184 PolarHBondContact O-N 3.1Å; R184-I186 VanDerWaalsContact C-N 3.26Å; R184-I186 PolarHBondContact O-N 3.26Å; R184-Q187 PolarHBondContact O-N 3.27Å
185	L	77.1	Confident	72.1	Confident	5 Å²	5	80.8 Å²	80.8	3%	0.026	39%	0.39	C	S	.	.	H	α-helix	trans	-65.2	-28.4	-178.4	-73.4	174	0	0	0	113.7	E145 R151 K154 L155 D181 A182	E145-L185 HydrophobicContact CG-CD2 3.97Å; R151-L185 HydrophobicContact CB-CD2 4.46Å; R151-L185 HydrophobicContact CG-CD2 4.09Å; K154-L185 HydrophobicContact CB-CD1 4.15Å; K154-L185 HydrophobicContact CD-CD1 4.04Å; K154-L185 HydrophobicContact CG-CD1 3.93Å; L155-L185 HydrophobicContact CB-CD1 4.43Å; D181-L185 WeakPolarHBondContact O-CG 2.89Å; D181-L185 PolarHBondContact O-N 3.03Å; A182-L185 PolarHBondContact O-N 2.75Å
186	I	77.1	Confident	71.1	Confident	17 Å²	17	84.9 Å²	84.9	9%	0.087	41%	0.407	C	S	.	.	H	α-helix	trans	-95.6	-13.5	179.6	66.9	152.4	0	0	0	113.5	L102 A105 F109 L155 L176 A182 L183 R184	L102-I186 HydrophobicContact CD2-CD1 4.19Å; A105-I186 HydrophobicContact CB-CD1 3.94Å; F109-I186 HydrophobicContact CE2-CB 4.12Å; F109-I186 HydrophobicContact CE2-CG2 3.77Å; F109-I186 HydrophobicContact CZ-CB 4.34Å; F109-I186 HydrophobicContact CZ-CG2 3.61Å; L155-I186 HydrophobicContact CD1-CG2 4.12Å; L155-I186 HydrophobicContact CD2-CG2 3.53Å; L176-I186 HydrophobicContact CD1-CD1 3.46Å; L176-I186 VanDerWaalsContact CD1-CD1 3.46Å; L176-I186 HydrophobicContact CD1-CG1 4.45Å; L176-I186 HydrophobicContact CD2-CD1 4.36Å; A182-I186 PolarHBondContact O-N 3.33Å; L183-I186 HydrophobicContact CD1-CD1 4.43Å; L183-I186 VanDerWaalsContact O-CG1 3.26Å; L183-I186 WeakPolarHBondContact O-CG1 3.33Å; L183-I186 PolarHBondContact O-N 2.86Å; R184-I186 VanDerWaalsContact C-N 3.26Å; R184-I186 PolarHBondContact O-N 3.26Å
187	Q	68	Low	70	Confident	68 Å²	68	90.2 Å²	90.2	32%	0.318	43%	0.432	S	S	.	.	S	Bend	trans	-94.4	117.5	174.5	-69.5	-177.9	20.8	0	0	108.7	L183 R184 E189	L183-Q187 VanDerWaalsContact CD1-NE2 3.3Å; L183-Q187 WeakPolarHBondContact O-CG 3.43Å; L183-Q187 PolarHBondContact O-N 3.3Å; R184-Q187 PolarHBondContact O-N 3.27Å; Q187-E189 PolarHBondContact O-N 3.01Å
188	Y	56.9	Low	68.9	Low	64 Å²	64	90.1 Å²	90.1	25%	0.251	43%	0.428	S	S	.	.			trans	-73.3	98	164	-177.4	-96	0	0	0	108.4	F57 L132 I133 P190	F57-Y188 HydrophobicContact CE1-CD1 4.24Å; F57-Y188 AromaticContact CE1-CE1 3.83Å; F57-Y188 HydrophobicContact CE1-CE1 3.83Å; L132-Y188 HydrophobicContact CB-CD2 3.99Å; L132-Y188 HydrophobicContact CB-CE2 3.85Å; L132-Y188 HydrophobicContact CD1-CD2 4.27Å; L132-Y188 HydrophobicContact CD1-CG 4.33Å; I133-Y188 HydrophobicContact CG1-CE2 4.34Å; Y188-P190 HydrophobicContact CD1-CG 4.48Å; Y188-P190 HydrophobicContact CE1-CB 4.45Å; Y188-P190 HydrophobicContact CE1-CG 3.87Å
189	E	53.8	Low	67.5	Low	139 Å²	139	86.4 Å²	86.4	65%	0.65	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-100.8	120.3	161.5	-67.8	-162.9	154.1	0	0	107.9	Q187 L191	Q187-E189 PolarHBondContact O-N 3.01Å; E189-L191 PolarHBondContact O-N 3.2Å
190	P	44.6	Very low	66.1	Low	85 Å²	85	88.8 Å²	88.8	55%	0.552	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-54.5	132.2	172	-17.7	26.7	0	0	0	109.3	Y188 K192	Y188-P190 HydrophobicContact CD1-CG 4.48Å; Y188-P190 HydrophobicContact CE1-CB 4.45Å; Y188-P190 HydrophobicContact CE1-CG 3.87Å; P190-K192 PolarHBondContact O-N 3.15Å; P190-K192 VanDerWaalsContact O-N 3.15Å
191	L	39.9	Very low	65	Low	99 Å²	99	81.9 Å²	81.9	52%	0.518	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-61.8	119.1	167.8	-67.2	169.8	0	0	0	106.3	E137 L141 E189	E137-L191 HydrophobicContact CB-CD1 4.4Å; L141-L191 HydrophobicContact CD2-CD1 4.47Å; E189-L191 PolarHBondContact O-N 3.2Å
192	K	34	Very low	63.4	Low	275 Å²	275	81.4 Å²	81.4	100%	1.196	38%	0.382	S	S	*	.			trans	-70.7	0	178.3	-79.8	-177.7	179.2	172	0	111.7	P190	P190-K192 PolarHBondContact O-N 3.15Å; P190-K192 VanDerWaalsContact O-N 3.15Å

Retrieved 192 of 192 residues in 103.1 ms (Link to these results)

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