A0A060XZ87_ONCMY Loading...

EF-hand domain-containing protein

AlphaFold DB (A0A674DCQ9), UniProt , Accession A0A060XZ87, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 214 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	47	Very low	60.9	Low	206 Å²	206	120.5 Å²	120.5	100%	1.015	62%	0.623	S	S	*	*				0	-47.9	0	-74	-166.5	-78.8	0	0	112.9	S5	M1-S5 PolarHBondContact O-N 3.45Å; M1-S5 VanDerWaalsContact O-N 3.15Å
2	A	47.8	Very low	62.9	Low	80 Å²	80	112 Å²	112	66%	0.661	58%	0.579	S	S	*	*	H	α-helix	trans	-63.8	-40	-179.8	0	0	0	0	0	115	S5 A6	A2-S5 WeakPolarHBondContact O-CB 3.49Å; A2-S5 PolarHBondContact O-N 2.74Å; A2-A6 PolarHBondContact O-N 2.73Å
3	E	38.5	Very low	64.9	Low	172 Å²	172	110.2 Å²	110.2	80%	0.804	57%	0.566	S	S	*	*	H	α-helix	trans	-70.5	-38.1	178.4	-69.1	178.8	152.5	0	0	112.9	S5 A6 M7	E3-S5 VanDerWaalsContact C-N 3.29Å; E3-S5 PolarHBondContact O-N 3.49Å; E3-A6 PolarHBondContact O-N 3.18Å; E3-M7 WeakPolarHBondContact O-CB 3.12Å; E3-M7 PolarHBondContact O-N 3.35Å
4	M	40.8	Very low	66.6	Low	145 Å²	145	109.3 Å²	109.3	71%	0.714	56%	0.563	S	S	*	*	H	α-helix	trans	-65.5	-35.2	175.4	-159.5	165.2	74.1	0	0	111.4	N8	M4-N8 WeakPolarHBondContact O-CB 3.49Å; M4-N8 PolarHBondContact O-N 2.86Å; M4-N8 VanDerWaalsContact O-N 3.14Å
5	S	61.3	Low	68.1	Low	57 Å²	57	105.6 Å²	105.6	40%	0.399	54%	0.544	S	S	.	.	H	α-helix	trans	-67.9	-39.5	171.4	-179.8	0	0	0	0	112.4	M1 A2 E3 R9	M1-S5 PolarHBondContact O-N 3.45Å; M1-S5 VanDerWaalsContact O-N 3.15Å; A2-S5 WeakPolarHBondContact O-CB 3.49Å; A2-S5 PolarHBondContact O-N 2.74Å; E3-S5 VanDerWaalsContact C-N 3.29Å; E3-S5 PolarHBondContact O-N 3.49Å; S5-R9 WeakPolarHBondContact O-CG 3.42Å; S5-R9 PolarHBondContact O-N 3.28Å; S5-R9 VanDerWaalsContact O-N 3.1Å; S5-R9 PolarHBondContact OG-NH1 3.44Å
6	A	61.1	Low	69.5	Low	44 Å²	44	99 Å²	99	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-69.3	-38.4	176.1	0	0	0	0	0	113	A2 E3 N8 R9 K10	A2-A6 PolarHBondContact O-N 2.73Å; E3-A6 PolarHBondContact O-N 3.18Å; A6-N8 VanDerWaalsContact C-N 3.35Å; A6-R9 PolarHBondContact O-N 3.07Å; A6-K10 PolarHBondContact O-N 3.01Å
7	M	55.8	Low	70.9	Confident	145 Å²	145	97.1 Å²	97.1	71%	0.714	50%	0.499	S	S	*	.	H	α-helix	trans	-64.5	-40.5	176.3	-164.3	172.2	105.2	0	0	111.3	E3 K10 L11	E3-M7 WeakPolarHBondContact O-CB 3.12Å; E3-M7 PolarHBondContact O-N 3.35Å; M7-K10 PolarHBondContact O-N 2.83Å; M7-L11 PolarHBondContact O-N 3.31Å; M7-L11 VanDerWaalsContact O-N 3.09Å
8	N	72.9	Confident	72.1	Confident	91 Å²	91	95.7 Å²	95.7	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-66.7	-39.6	175.7	-156.9	11.8	0	0	0	112	M4 A6 K10 L11 I12	M4-N8 WeakPolarHBondContact O-CB 3.49Å; M4-N8 PolarHBondContact O-N 2.86Å; M4-N8 VanDerWaalsContact O-N 3.14Å; A6-N8 VanDerWaalsContact C-N 3.35Å; N8-K10 PolarHBondContact O-N 2.9Å; N8-L11 PolarHBondContact O-N 2.94Å; N8-I12 WeakPolarHBondContact O-CG1 3.37Å; N8-I12 PolarHBondContact O-N 3.47Å
9	R	77.8	Confident	73.2	Confident	137 Å²	137	91 Å²	91	52%	0.517	47%	0.471	S	S	.	.	H	α-helix	trans	-58.9	-47.4	172.9	-76.6	-170.9	-68.3	-89.6	-0.3	112.5	S5 A6 L11 I12 Q13	S5-R9 WeakPolarHBondContact O-CG 3.42Å; S5-R9 PolarHBondContact O-N 3.28Å; S5-R9 VanDerWaalsContact O-N 3.1Å; S5-R9 PolarHBondContact OG-NH1 3.44Å; A6-R9 PolarHBondContact O-N 3.07Å; R9-L11 VanDerWaalsContact C-N 3.3Å; R9-L11 PolarHBondContact O-N 3.18Å; R9-I12 PolarHBondContact O-N 3.5Å; R9-Q13 WeakPolarHBondContact O-CG 3.27Å; R9-Q13 PolarHBondContact O-N 3.36Å
10	K	83.6	Confident	74.1	Confident	139 Å²	139	87.6 Å²	87.6	60%	0.604	46%	0.455	S	S	*	.	H	α-helix	trans	-65.3	-34.7	-179.2	-166	171	-175.7	176.8	0	112.2	A6 M7 N8 N14	A6-K10 PolarHBondContact O-N 3.01Å; M7-K10 PolarHBondContact O-N 2.83Å; N8-K10 PolarHBondContact O-N 2.9Å; K10-N14 WeakPolarHBondContact O-CB 3.25Å; K10-N14 VanDerWaalsContact O-CG 3.28Å; K10-N14 PolarHBondContact O-N 3.47Å; K10-N14 PolarHBondContact O-ND2 3.41Å
11	L	83.5	Confident	75	Confident	110 Å²	110	90.4 Å²	90.4	58%	0.576	46%	0.464	S	S	*	.	H	α-helix	trans	-65.9	-45.3	175.1	-171.5	135.4	0	0	0	111.6	M7 N8 R9 Q13 N14 L15	M7-L11 PolarHBondContact O-N 3.31Å; M7-L11 VanDerWaalsContact O-N 3.09Å; N8-L11 PolarHBondContact O-N 2.94Å; R9-L11 VanDerWaalsContact C-N 3.3Å; R9-L11 PolarHBondContact O-N 3.18Å; L11-Q13 PolarHBondContact O-N 3.05Å; L11-N14 PolarHBondContact O-N 2.99Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.42Å
12	I	85	Confident	77.1	Confident	18 Å²	18	85.4 Å²	85.4	9%	0.092	44%	0.438	C	S	.	.	H	α-helix	trans	-60.1	-44.9	175	-68.2	168.9	0	0	0	111	N8 R9 N14 L15 A16 E32 I35	N8-I12 WeakPolarHBondContact O-CG1 3.37Å; N8-I12 PolarHBondContact O-N 3.47Å; R9-I12 PolarHBondContact O-N 3.5Å; I12-N14 PolarHBondContact O-N 3.3Å; I12-L15 PolarHBondContact O-N 3.04Å; I12-A16 VanDerWaalsContact O-CB 3.31Å; I12-A16 WeakPolarHBondContact O-CB 3.39Å; I12-A16 PolarHBondContact O-N 3.34Å; I12-E32 HydrophobicContact CG2-CG 4.43Å; I12-I35 HydrophobicContact CB-CG2 4.44Å; I12-I35 HydrophobicContact CG1-CG2 4.03Å; I12-I35 HydrophobicContact CG2-CB 4.25Å; I12-I35 HydrophobicContact CG2-CG2 3.87Å
13	Q	88.3	Confident	79.2	Confident	88 Å²	88	82.4 Å²	82.4	41%	0.411	41%	0.411	S	S	.	.	H	α-helix	trans	-61.8	-43.2	178.7	-72.4	179.1	-24	0	0	112.8	R9 L11 E17 E32	R9-Q13 WeakPolarHBondContact O-CG 3.27Å; R9-Q13 PolarHBondContact O-N 3.36Å; L11-Q13 PolarHBondContact O-N 3.05Å; Q13-E17 WeakPolarHBondContact O-CB 3.41Å; Q13-E17 PolarHBondContact O-N 3.09Å; Q13-E32 WeakPolarHBondContact CG-OE1 3.42Å
14	N	89.3	Confident	81.7	Confident	98 Å²	98	81.8 Å²	81.8	52%	0.524	41%	0.406	S	S	.	.	H	α-helix	trans	-67.5	-38.8	177.5	-73.3	-14.4	0	0	0	111.9	K10 L11 I12 T18	K10-N14 WeakPolarHBondContact O-CB 3.25Å; K10-N14 VanDerWaalsContact O-CG 3.28Å; K10-N14 PolarHBondContact O-N 3.47Å; K10-N14 PolarHBondContact O-ND2 3.41Å; L11-N14 PolarHBondContact O-N 2.99Å; I12-N14 PolarHBondContact O-N 3.3Å; N14-T18 PolarHBondContact O-N 3.34Å; N14-T18 PolarHBondContact O-OG1 2.85Å
15	L	88.8	Confident	84.3	Confident	54 Å²	54	77 Å²	77	28%	0.283	38%	0.382	S	S	.	.	H	α-helix	trans	-66.5	-46.1	176.6	-177.1	62	0	0	0	110.8	L11 I12 E17 T18 L19 I35 V92	L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.42Å; I12-L15 PolarHBondContact O-N 3.04Å; L15-E17 VanDerWaalsContact C-N 3.35Å; L15-E17 PolarHBondContact O-N 3.49Å; L15-T18 WeakPolarHBondContact O-CB 3.34Å; L15-T18 PolarHBondContact O-N 3.1Å; L15-T18 VanDerWaalsContact O-N 3.07Å; L15-L19 HydrophobicContact CD1-CD1 3.82Å; L15-L19 HydrophobicContact CD1-CG 4.01Å; L15-L19 HydrophobicContact CD2-CD1 4.33Å; L15-L19 HydrophobicContact CG-CD1 3.75Å; L15-L19 HydrophobicContact CG-CG 4.26Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.42Å; L15-I35 HydrophobicContact CB-CD1 4.23Å; L15-I35 HydrophobicContact CD2-CD1 4.09Å; L15-I35 HydrophobicContact CD2-CG1 4.47Å; L15-I35 HydrophobicContact CD2-CG2 4.49Å; L15-I35 HydrophobicContact CG-CD1 3.98Å; L15-V92 HydrophobicContact CD2-CG1 3.93Å; L15-V92 HydrophobicContact CD2-CG2 4.37Å
16	A	91.3	Very high	85.9	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-59.3	-44.3	176.5	0	0	0	0	0	112.2	I12 T18 L19 S20 K28 A31 E32 I35	I12-A16 VanDerWaalsContact O-CB 3.31Å; I12-A16 WeakPolarHBondContact O-CB 3.39Å; I12-A16 PolarHBondContact O-N 3.34Å; A16-T18 PolarHBondContact O-N 3.14Å; A16-L19 PolarHBondContact O-N 3.15Å; A16-S20 WeakPolarHBondContact O-CB 3.38Å; A16-S20 PolarHBondContact O-N 3Å; A16-S20 PolarHBondContact O-OG 2.77Å; A16-S20 VanDerWaalsContact O-OG 3.09Å; A16-K28 HydrophobicContact CB-CG 4.31Å; A16-A31 HydrophobicContact CB-CB 4.14Å; A16-E32 HydrophobicContact CB-CB 4.16Å; A16-E32 HydrophobicContact CB-CG 3.23Å; A16-I35 HydrophobicContact CB-CD1 3.78Å
17	E	92.7	Very high	87.5	Confident	67 Å²	67	76.5 Å²	76.5	31%	0.313	37%	0.368	S	S	.	.	H	α-helix	trans	-58.4	-34.4	175	-178.9	74	-146.2	0	0	112.6	Q13 L15 S20 K21 K28	Q13-E17 WeakPolarHBondContact O-CB 3.41Å; Q13-E17 PolarHBondContact O-N 3.09Å; L15-E17 VanDerWaalsContact C-N 3.35Å; L15-E17 PolarHBondContact O-N 3.49Å; E17-S20 PolarHBondContact O-OG 3.41Å; E17-K21 WeakPolarHBondContact O-CD 3.5Å; E17-K21 WeakPolarHBondContact O-CE 3.48Å; E17-K21 WeakPolarHBondContact O-CG 3.44Å; E17-K21 WeakPolarHBondContact OE1-CE 2.9Å; E17-K21 IonicContact OE1-NZ 2.74Å; E17-K21 PolarHBondContact OE1-NZ 3.11Å; E17-K28 VanDerWaalsContact OE2-CD 3.25Å; E17-K28 WeakPolarHBondContact OE2-CD 3.35Å; E17-K28 VanDerWaalsContact OE2-CE 3.27Å; E17-K28 WeakPolarHBondContact OE2-CE 3.31Å; E17-K28 IonicContact OE2-NZ 3.31Å; E17-K28 PolarHBondContact OE2-NZ 3.05Å
18	T	92.9	Very high	89.3	Confident	72 Å²	72	73 Å²	73	44%	0.442	35%	0.349	S	S	.	.	H	α-helix	trans	-77	-49.2	178.9	-56.1	0	0	0	0	110.6	N14 L15 A16 K21	N14-T18 PolarHBondContact O-N 3.34Å; N14-T18 PolarHBondContact O-OG1 2.85Å; L15-T18 WeakPolarHBondContact O-CB 3.34Å; L15-T18 PolarHBondContact O-N 3.1Å; L15-T18 VanDerWaalsContact O-N 3.07Å; A16-T18 PolarHBondContact O-N 3.14Å; T18-K21 PolarHBondContact O-N 3.12Å
19	L	91.6	Very high	90.3	Very high	6 Å²	6	72.1 Å²	72.1	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-70.7	-36.2	-176.1	-65.6	178.7	0	0	0	112.2	L15 A16 K21 Q22 V23 I35 K93 I96	L15-L19 HydrophobicContact CD1-CD1 3.82Å; L15-L19 HydrophobicContact CD1-CG 4.01Å; L15-L19 HydrophobicContact CD2-CD1 4.33Å; L15-L19 HydrophobicContact CG-CD1 3.75Å; L15-L19 HydrophobicContact CG-CG 4.26Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.42Å; A16-L19 PolarHBondContact O-N 3.15Å; L19-K21 PolarHBondContact O-N 3.29Å; L19-K21 VanDerWaalsContact O-N 3.12Å; L19-Q22 WeakPolarHBondContact O-CB 3.49Å; L19-Q22 PolarHBondContact O-N 2.91Å; L19-V23 PolarHBondContact O-N 2.82Å; L19-V23 VanDerWaalsContact O-N 3.11Å; L19-I35 HydrophobicContact CD1-CD1 4.41Å; L19-K93 HydrophobicContact CD2-CB 4.03Å; L19-K93 HydrophobicContact CD2-CG 3.79Å; L19-I96 HydrophobicContact CB-CD1 4.07Å; L19-I96 HydrophobicContact CD1-CD1 3.45Å; L19-I96 VanDerWaalsContact CD1-CD1 3.45Å; L19-I96 HydrophobicContact CD1-CG1 4.44Å; L19-I96 HydrophobicContact CG-CD1 4.39Å
20	S	92.5	Very high	91.1	Very high	22 Å²	22	66.8 Å²	66.8	15%	0.154	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.6	176.2	73.8	0	0	0	0	113.5	A16 E17	A16-S20 WeakPolarHBondContact O-CB 3.38Å; A16-S20 PolarHBondContact O-N 3Å; A16-S20 PolarHBondContact O-OG 2.77Å; A16-S20 VanDerWaalsContact O-OG 3.09Å; E17-S20 PolarHBondContact O-OG 3.41Å
21	K	93.1	Very high	91.6	Very high	148 Å²	148	60.2 Å²	60.2	64%	0.643	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-17.4	172.7	-68.7	172.4	-174.6	163.2	0	112.7	E17 T18 L19	E17-K21 WeakPolarHBondContact O-CD 3.5Å; E17-K21 WeakPolarHBondContact O-CE 3.48Å; E17-K21 WeakPolarHBondContact O-CG 3.44Å; E17-K21 WeakPolarHBondContact OE1-CE 2.9Å; E17-K21 IonicContact OE1-NZ 2.74Å; E17-K21 PolarHBondContact OE1-NZ 3.11Å; T18-K21 PolarHBondContact O-N 3.12Å; L19-K21 PolarHBondContact O-N 3.29Å; L19-K21 VanDerWaalsContact O-N 3.12Å
22	Q	90.1	Very high	92	Very high	101 Å²	101	55.9 Å²	55.9	47%	0.472	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-25.5	-179.2	-66.6	178.1	-1.2	0	0	111.9	L19	L19-Q22 WeakPolarHBondContact O-CB 3.49Å; L19-Q22 PolarHBondContact O-N 2.91Å
23	V	91.7	Very high	92.4	Very high	16 Å²	16	55.5 Å²	55.5	10%	0.097	28%	0.275	C	S	.	.			trans	-101.6	152.7	175.8	-59.3	0	0	0	0	112.3	L19 F26 I96 E97	L19-V23 PolarHBondContact O-N 2.82Å; L19-V23 VanDerWaalsContact O-N 3.11Å; V23-F26 HydrophobicContact CG2-CB 4.02Å; V23-F26 HydrophobicContact CG2-CD2 4.3Å; V23-I96 HydrophobicContact CG1-CG2 3.9Å; V23-I96 HydrophobicContact CG2-CG2 4.06Å; V23-E97 HydrophobicContact CG1-CB 4.39Å; V23-E97 HydrophobicContact CG1-CG 3.84Å
24	K	92	Very high	92.6	Very high	159 Å²	159	51.3 Å²	51.3	69%	0.691	26%	0.256	S	S	*	.	S	Bend	trans	-88.9	-28.4	-176.8	-61.1	-173.6	-161.8	150.8	0	113.8	E109	K24-E109 WeakPolarHBondContact CD-OE1 3.48Å; K24-E109 WeakPolarHBondContact CE-OE1 3.25Å; K24-E109 IonicContact NZ-OE1 3.09Å; K24-E109 PolarHBondContact NZ-OE1 3.43Å
25	H	95.3	Very high	92.7	Very high	44 Å²	44	46.8 Å²	46.8	20%	0.204	23%	0.231	C	C	.	.	S	Bend	trans	-112	2.7	-162.9	-53.2	-60.4	0	0	0	115.4	S100 R104 E109	H25-S100 WeakPolarHBondContact CB-OG 3.45Å; H25-S100 PolarHBondContact CD2-O 3.27Å; H25-S100 VanDerWaalsContact CD2-O 3.27Å; H25-S100 PolarHBondContact CD2-OG 2.92Å; H25-S100 VanDerWaalsContact CD2-OG 3.32Å; H25-S100 PolarHBondContact N-OG 3.09Å; H25-R104 HydrophobicContact CB-CB 3.6Å; H25-R104 HydrophobicContact CB-CG 4.47Å; H25-R104 WeakPolarHBondContact O-CD 3.5Å; H25-R104 PolarHBondContact O-NH1 2.89Å; H25-E109 IonicContact CD2-OE2 2.68Å; H25-E109 IonicContact CE1-OE2 2.75Å; H25-E109 IonicContact NE2-OE1 2.94Å; H25-E109 IonicContact NE2-OE2 3.45Å; H25-E109 PolarHBondContact NE2-OE2 3.23Å
26	F	95.4	Very high	92.8	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.035	24%	0.239	C	C	.	.			trans	-125.4	132.1	175.7	-61.6	-52.6	0	0	0	111.4	V23 E30 L34 I96 L99 S100 L103 R104 F208	V23-F26 HydrophobicContact CG2-CB 4.02Å; V23-F26 HydrophobicContact CG2-CD2 4.3Å; F26-E30 WeakPolarHBondContact CA-OE2 3.4Å; F26-E30 HydrophobicContact CB-CB 4.11Å; F26-E30 HydrophobicContact CD1-CB 4.16Å; F26-E30 HydrophobicContact CG-CB 4.48Å; F26-L34 HydrophobicContact CD1-CD1 4.34Å; F26-L34 HydrophobicContact CD2-CD1 3.62Å; F26-L34 HydrophobicContact CE1-CD1 4.26Å; F26-L34 HydrophobicContact CE2-CD1 3.47Å; F26-L34 VanDerWaalsContact CE2-CD1 3.47Å; F26-L34 HydrophobicContact CG-CD1 4.07Å; F26-L34 HydrophobicContact CZ-CD1 3.85Å; F26-I96 HydrophobicContact CD2-CG2 4.13Å; F26-L99 HydrophobicContact CE2-CB 3.99Å; F26-L99 HydrophobicContact CZ-CB 4.25Å; F26-S100 VanDerWaalsContact CE2-N 3.33Å; F26-L103 HydrophobicContact CZ-CD1 4.17Å; F26-R104 HydrophobicContact CE1-CG 4.49Å; F26-F208 HydrophobicContact CD1-CZ 4.15Å; F26-F208 HydrophobicContact CE1-CE2 4.22Å; F26-F208 AromaticContact CE1-CZ 3.86Å; F26-F208 HydrophobicContact CE1-CZ 3.86Å
27	N	94.3	Very high	92.8	Very high	83 Å²	83	51.6 Å²	51.6	44%	0.444	25%	0.249	S	C	.	.			trans	-77.3	175.1	168.7	70.7	55.2	0	0	0	111	T29 E30 A31	N27-T29 VanDerWaalsContact C-N 3.35Å; N27-T29 PolarHBondContact O-N 3.13Å; N27-T29 WeakPolarHBondContact OD1-CA 3.2Å; N27-T29 WeakPolarHBondContact OD1-CB 3.45Å; N27-T29 PolarHBondContact OD1-N 3.22Å; N27-E30 PolarHBondContact N-OE2 3.37Å; N27-E30 PolarHBondContact ND2-OE2 2.85Å; N27-E30 VanDerWaalsContact ND2-OE2 3.12Å; N27-E30 PolarHBondContact O-N 2.96Å; N27-E30 PolarHBondContact OD1-N 2.75Å; N27-A31 WeakPolarHBondContact O-CB 3.2Å; N27-A31 PolarHBondContact O-N 3.24Å
28	K	94	Very high	92.7	Very high	73 Å²	73	48.6 Å²	48.6	32%	0.317	23%	0.234	S	C	.	.	H	α-helix	trans	-56.6	-45.5	-179.9	-178.7	-172.9	-178	163.2	0	113	A16 E17 A31 E32	A16-K28 HydrophobicContact CB-CG 4.31Å; E17-K28 VanDerWaalsContact OE2-CD 3.25Å; E17-K28 WeakPolarHBondContact OE2-CD 3.35Å; E17-K28 VanDerWaalsContact OE2-CE 3.27Å; E17-K28 WeakPolarHBondContact OE2-CE 3.31Å; E17-K28 IonicContact OE2-NZ 3.31Å; E17-K28 PolarHBondContact OE2-NZ 3.05Å; K28-A31 WeakPolarHBondContact O-CB 3.27Å; K28-A31 PolarHBondContact O-N 3.08Å; K28-E32 WeakPolarHBondContact CE-OE1 3.33Å; K28-E32 WeakPolarHBondContact O-CG 3.47Å; K28-E32 PolarHBondContact O-N 3.03Å
29	T	93	Very high	92.4	Very high	72 Å²	72	48.4 Å²	48.4	44%	0.442	23%	0.231	S	C	.	.	H	α-helix	trans	-66.8	-41.4	-176.2	-44.1	0	0	0	0	110.9	N27 E32 C33 T211	N27-T29 VanDerWaalsContact C-N 3.35Å; N27-T29 PolarHBondContact O-N 3.13Å; N27-T29 WeakPolarHBondContact OD1-CA 3.2Å; N27-T29 WeakPolarHBondContact OD1-CB 3.45Å; N27-T29 PolarHBondContact OD1-N 3.22Å; T29-E32 WeakPolarHBondContact O-CB 3.49Å; T29-E32 PolarHBondContact O-N 2.65Å; T29-C33 PolarHBondContact O-N 2.81Å; T29-C33 PolarHBondContact O-SG 3.3Å; T29-C33 VanDerWaalsContact O-SG 3.4Å; T29-T211 HydrophobicContact CG2-CG2 3.23Å
30	E	94.6	Very high	92.2	Very high	25 Å²	25	51 Å²	51	12%	0.117	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-43.6	173.4	-67.4	173.6	136.5	0	0	111.2	F26 N27 E32 C33 L34 R104 F208	F26-E30 WeakPolarHBondContact CA-OE2 3.4Å; F26-E30 HydrophobicContact CB-CB 4.11Å; F26-E30 HydrophobicContact CD1-CB 4.16Å; F26-E30 HydrophobicContact CG-CB 4.48Å; N27-E30 PolarHBondContact N-OE2 3.37Å; N27-E30 PolarHBondContact ND2-OE2 2.85Å; N27-E30 VanDerWaalsContact ND2-OE2 3.12Å; N27-E30 PolarHBondContact O-N 2.96Å; N27-E30 PolarHBondContact OD1-N 2.75Å; E30-E32 VanDerWaalsContact C-N 3.32Å; E30-E32 PolarHBondContact O-N 3.29Å; E30-C33 WeakPolarHBondContact O-CB 3.44Å; E30-C33 PolarHBondContact O-N 2.85Å; E30-C33 VanDerWaalsContact O-N 3.14Å; E30-L34 WeakPolarHBondContact O-CG 3.11Å; E30-L34 PolarHBondContact O-N 2.84Å; E30-R104 IonicContact OE1-CZ 3.83Å; E30-R104 IonicContact OE1-NH1 3.76Å; E30-R104 PolarHBondContact OE1-NH1 2.95Å; E30-R104 IonicContact OE1-NH2 2.79Å; E30-R104 PolarHBondContact OE1-NH2 2.81Å; E30-R104 IonicContact OE2-NH1 3.64Å; E30-R104 PolarHBondContact OE2-NH1 2.71Å; E30-R104 VanDerWaalsContact OE2-NH1 3.08Å; E30-F208 HydrophobicContact CB-CD1 4.19Å; E30-F208 HydrophobicContact CB-CE1 3.7Å; E30-F208 HydrophobicContact CB-CZ 4.16Å; E30-F208 HydrophobicContact CG-CD1 4.09Å; E30-F208 HydrophobicContact CG-CE1 4.02Å; E30-F208 HydrophobicContact CG-CZ 4.4Å
31	A	94.2	Very high	91.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-40.1	174.5	0	0	0	0	0	111.9	A16 N27 K28 C33 L34 I35 I96	A16-A31 HydrophobicContact CB-CB 4.14Å; N27-A31 WeakPolarHBondContact O-CB 3.2Å; N27-A31 PolarHBondContact O-N 3.24Å; K28-A31 WeakPolarHBondContact O-CB 3.27Å; K28-A31 PolarHBondContact O-N 3.08Å; A31-C33 PolarHBondContact O-N 2.82Å; A31-L34 PolarHBondContact O-N 2.96Å; A31-I35 WeakPolarHBondContact O-CD1 3.37Å; A31-I35 WeakPolarHBondContact O-CG1 3.34Å; A31-I35 PolarHBondContact O-N 3.31Å; A31-I96 HydrophobicContact CB-CD1 4.36Å
32	E	91.8	Very high	91.5	Very high	19 Å²	19	47 Å²	47	9%	0.089	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-43.9	173.1	-73	-173.2	-159.3	0	0	112.2	I12 Q13 A16 K28 T29 E30 I35 R36	I12-E32 HydrophobicContact CG2-CG 4.43Å; Q13-E32 WeakPolarHBondContact CG-OE1 3.42Å; A16-E32 HydrophobicContact CB-CB 4.16Å; A16-E32 HydrophobicContact CB-CG 3.23Å; K28-E32 WeakPolarHBondContact CE-OE1 3.33Å; K28-E32 WeakPolarHBondContact O-CG 3.47Å; K28-E32 PolarHBondContact O-N 3.03Å; T29-E32 WeakPolarHBondContact O-CB 3.49Å; T29-E32 PolarHBondContact O-N 2.65Å; E30-E32 VanDerWaalsContact C-N 3.32Å; E30-E32 PolarHBondContact O-N 3.29Å; E32-I35 PolarHBondContact O-N 2.77Å; E32-R36 WeakPolarHBondContact O-CG 3.21Å; E32-R36 PolarHBondContact O-N 3.01Å; E32-R36 IonicContact OE2-NH2 3.91Å; E32-R36 PolarHBondContact OE2-NH2 3.16Å
33	C	92.9	Very high	90.6	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-45	176.9	-68.7	0	0	0	0	111.8	T29 E30 A31 I35 R36 L37 A207 F208	T29-C33 PolarHBondContact O-N 2.81Å; T29-C33 PolarHBondContact O-SG 3.3Å; T29-C33 VanDerWaalsContact O-SG 3.4Å; E30-C33 WeakPolarHBondContact O-CB 3.44Å; E30-C33 PolarHBondContact O-N 2.85Å; E30-C33 VanDerWaalsContact O-N 3.14Å; A31-C33 PolarHBondContact O-N 2.82Å; C33-I35 VanDerWaalsContact C-N 3.33Å; C33-I35 PolarHBondContact O-N 3.01Å; C33-R36 PolarHBondContact O-N 2.84Å; C33-L37 WeakPolarHBondContact O-CB 3.3Å; C33-L37 PolarHBondContact O-N 2.91Å; C33-A207 VanDerWaalsContact CB-O 3.3Å; C33-A207 WeakPolarHBondContact CB-O 3.26Å; C33-F208 HydrophobicContact CB-CD1 3.93Å; C33-F208 HydrophobicContact CB-CE1 4.2Å
34	L	93.8	Very high	89.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-37.2	177	-66.6	179.1	0	0	0	112.5	F26 E30 A31 L37 F38 W95 I96 L99 F203 A207 F208	F26-L34 HydrophobicContact CD1-CD1 4.34Å; F26-L34 HydrophobicContact CD2-CD1 3.62Å; F26-L34 HydrophobicContact CE1-CD1 4.26Å; F26-L34 HydrophobicContact CE2-CD1 3.47Å; F26-L34 VanDerWaalsContact CE2-CD1 3.47Å; F26-L34 HydrophobicContact CG-CD1 4.07Å; F26-L34 HydrophobicContact CZ-CD1 3.85Å; E30-L34 WeakPolarHBondContact O-CG 3.11Å; E30-L34 PolarHBondContact O-N 2.84Å; A31-L34 PolarHBondContact O-N 2.96Å; L34-L37 PolarHBondContact O-N 2.98Å; L34-F38 WeakPolarHBondContact O-CB 3.29Å; L34-F38 PolarHBondContact O-N 2.87Å; L34-W95 PolarHBondContact O-NE1 2.9Å; L34-I96 HydrophobicContact CB-CG1 4.19Å; L34-I96 HydrophobicContact CD1-CG1 4.49Å; L34-L99 HydrophobicContact CD1-CD1 4.3Å; L34-L99 HydrophobicContact CD2-CD1 3.8Å; L34-F203 HydrophobicContact CD2-CE1 4.04Å; L34-F203 HydrophobicContact CD2-CZ 4.23Å; L34-A207 HydrophobicContact CD2-CB 4.37Å; L34-F208 HydrophobicContact CD1-CZ 4.29Å; L34-F208 HydrophobicContact CD2-CE1 3.92Å; L34-F208 HydrophobicContact CD2-CZ 3.87Å; L34-F208 HydrophobicContact CG-CE1 3.89Å; L34-F208 HydrophobicContact CG-CZ 4.04Å
35	I	91.4	Very high	87.5	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-42.2	174.4	-67.8	161.8	0	0	0	110.9	I12 L15 A16 L19 A31 E32 C33 F38 N39 V92 I96	I12-I35 HydrophobicContact CB-CG2 4.44Å; I12-I35 HydrophobicContact CG1-CG2 4.03Å; I12-I35 HydrophobicContact CG2-CB 4.25Å; I12-I35 HydrophobicContact CG2-CG2 3.87Å; L15-I35 HydrophobicContact CB-CD1 4.23Å; L15-I35 HydrophobicContact CD2-CD1 4.09Å; L15-I35 HydrophobicContact CD2-CG1 4.47Å; L15-I35 HydrophobicContact CD2-CG2 4.49Å; L15-I35 HydrophobicContact CG-CD1 3.98Å; A16-I35 HydrophobicContact CB-CD1 3.78Å; L19-I35 HydrophobicContact CD1-CD1 4.41Å; A31-I35 WeakPolarHBondContact O-CD1 3.37Å; A31-I35 WeakPolarHBondContact O-CG1 3.34Å; A31-I35 PolarHBondContact O-N 3.31Å; E32-I35 PolarHBondContact O-N 2.77Å; C33-I35 VanDerWaalsContact C-N 3.33Å; C33-I35 PolarHBondContact O-N 3.01Å; I35-F38 PolarHBondContact O-N 3.12Å; I35-N39 VanDerWaalsContact O-CG 3.28Å; I35-N39 PolarHBondContact O-N 3.44Å; I35-N39 PolarHBondContact O-ND2 3.47Å; I35-V92 HydrophobicContact CB-CG2 4.4Å; I35-V92 HydrophobicContact CG1-CG2 3.82Å; I35-V92 HydrophobicContact CG2-CG2 4.34Å; I35-I96 HydrophobicContact CD1-CD1 4.07Å; I35-I96 HydrophobicContact CG1-CD1 3.61Å
36	R	89.4	Confident	85.3	Confident	118 Å²	118	51.3 Å²	51.3	45%	0.445	29%	0.294	S	S	.	.	H	α-helix	trans	-64.2	-42.7	177	-70	174.8	-159.6	158.1	9	111.1	E32 C33 N39 G40	E32-R36 WeakPolarHBondContact O-CG 3.21Å; E32-R36 PolarHBondContact O-N 3.01Å; E32-R36 IonicContact OE2-NH2 3.91Å; E32-R36 PolarHBondContact OE2-NH2 3.16Å; C33-R36 PolarHBondContact O-N 2.84Å; R36-N39 PolarHBondContact O-N 2.78Å; R36-G40 PolarHBondContact O-N 3.35Å
37	L	91.1	Very high	82.9	Confident	38 Å²	38	55.7 Å²	55.7	20%	0.199	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-48.5	175.2	-176.4	65.5	0	0	0	110.9	C33 L34 N39 G40 L41 W95 F203 A207	C33-L37 WeakPolarHBondContact O-CB 3.3Å; C33-L37 PolarHBondContact O-N 2.91Å; L34-L37 PolarHBondContact O-N 2.98Å; L37-N39 PolarHBondContact O-N 3.28Å; L37-G40 WeakPolarHBondContact O-CA 3.36Å; L37-G40 PolarHBondContact O-N 3.37Å; L37-G40 VanDerWaalsContact O-N 3.09Å; L37-L41 HydrophobicContact CG-CD1 4.29Å; L37-L41 WeakPolarHBondContact O-CG 3.23Å; L37-L41 PolarHBondContact O-N 3.4Å; L37-W95 HydrophobicContact CD2-CZ2 4.21Å; L37-F203 HydrophobicContact CD2-CE2 3.63Å; L37-F203 HydrophobicContact CD2-CZ 3.48Å; L37-F203 VanDerWaalsContact CD2-CZ 3.48Å; L37-A207 HydrophobicContact CD2-CB 4.21Å
38	F	91.1	Very high	80.6	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-55.9	-47	176.2	-177.5	-92.9	0	0	0	112.5	L34 I35 G40 L41 L42 L54 V90 V92 W95	L34-F38 WeakPolarHBondContact O-CB 3.29Å; L34-F38 PolarHBondContact O-N 2.87Å; I35-F38 PolarHBondContact O-N 3.12Å; F38-G40 VanDerWaalsContact C-N 3.3Å; F38-G40 PolarHBondContact O-N 3.38Å; F38-L41 WeakPolarHBondContact O-CB 3.49Å; F38-L41 PolarHBondContact O-N 3.02Å; F38-L41 VanDerWaalsContact O-N 3.15Å; F38-L42 HydrophobicContact CD1-CD1 4.03Å; F38-L42 HydrophobicContact CD1-CG 4.43Å; F38-L42 HydrophobicContact CE1-CD1 3.57Å; F38-L42 HydrophobicContact CE1-CG 4.15Å; F38-L42 HydrophobicContact CZ-CD1 4.31Å; F38-L42 PolarHBondContact O-N 2.61Å; F38-L42 VanDerWaalsContact O-N 3.14Å; F38-L54 HydrophobicContact CD2-CD1 3.87Å; F38-L54 HydrophobicContact CD2-CG 4.14Å; F38-L54 HydrophobicContact CE2-CD1 3.71Å; F38-L54 HydrophobicContact CE2-CG 3.64Å; F38-L54 HydrophobicContact CZ-CG 4.31Å; F38-V90 WeakPolarHBondContact CE2-O 3.36Å; F38-V90 WeakPolarHBondContact CZ-O 3.26Å; F38-V92 HydrophobicContact CB-CG2 4.47Å; F38-V92 HydrophobicContact CD1-CB 3.84Å; F38-V92 HydrophobicContact CD1-CG2 3.95Å; F38-V92 HydrophobicContact CE1-CB 3.72Å; F38-V92 HydrophobicContact CE1-CG2 4.36Å; F38-V92 HydrophobicContact CG-CB 4.33Å; F38-V92 HydrophobicContact CG-CG2 4.19Å; F38-V92 HydrophobicContact CZ-CB 4.12Å; F38-V92 VanDerWaalsContact CZ-N 3.34Å; F38-W95 HydrophobicContact CB-CG 4.49Å; F38-W95 HydrophobicContact CD2-CB 3.76Å; F38-W95 AromaticContact CD2-CD1 3.92Å; F38-W95 AromaticContact CD2-CD2 3.97Å; F38-W95 HydrophobicContact CD2-CD2 3.97Å; F38-W95 AromaticContact CD2-CG 3.6Å; F38-W95 HydrophobicContact CD2-CG 3.6Å; F38-W95 HydrophobicContact CE2-CB 3.95Å; F38-W95 HydrophobicContact CE2-CG 4.26Å; F38-W95 HydrophobicContact CG-CG 4.43Å
39	N	88	Confident	78.5	Confident	67 Å²	67	70.5 Å²	70.5	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-62.7	-36.6	176.5	-70.7	-24.1	0	0	0	112.4	I35 R36 L37 L41 L42	I35-N39 VanDerWaalsContact O-CG 3.28Å; I35-N39 PolarHBondContact O-N 3.44Å; I35-N39 PolarHBondContact O-ND2 3.47Å; R36-N39 PolarHBondContact O-N 2.78Å; L37-N39 PolarHBondContact O-N 3.28Å; N39-L41 VanDerWaalsContact C-N 3.34Å; N39-L42 PolarHBondContact O-N 2.92Å
40	G	86.7	Confident	76.4	Confident	60 Å²	60	70.4 Å²	70.4	62%	0.619	36%	0.364	S	S	*	.	H	α-helix	trans	-63.8	-38.2	173.7	0	0	0	0	0	112.9	R36 L37 F38 L42 G43	R36-G40 PolarHBondContact O-N 3.35Å; L37-G40 WeakPolarHBondContact O-CA 3.36Å; L37-G40 PolarHBondContact O-N 3.37Å; L37-G40 VanDerWaalsContact O-N 3.09Å; F38-G40 VanDerWaalsContact C-N 3.3Å; F38-G40 PolarHBondContact O-N 3.38Å; G40-L42 VanDerWaalsContact C-N 3.32Å; G40-L42 PolarHBondContact O-N 3.23Å; G40-G43 PolarHBondContact O-N 2.88Å
41	L	86.9	Confident	74.5	Confident	62 Å²	62	70.4 Å²	70.4	33%	0.325	37%	0.371	S	S	.	.	H	α-helix	trans	-68.6	-28	177.2	-67.3	166	0	0	0	113	L37 F38 N39 G43 L54 I62 W95	L37-L41 HydrophobicContact CG-CD1 4.29Å; L37-L41 WeakPolarHBondContact O-CG 3.23Å; L37-L41 PolarHBondContact O-N 3.4Å; F38-L41 WeakPolarHBondContact O-CB 3.49Å; F38-L41 PolarHBondContact O-N 3.02Å; F38-L41 VanDerWaalsContact O-N 3.15Å; N39-L41 VanDerWaalsContact C-N 3.34Å; L41-G43 VanDerWaalsContact C-N 3.34Å; L41-L54 HydrophobicContact CB-CD2 3.87Å; L41-I62 HydrophobicContact CD1-CD1 3.63Å; L41-I62 HydrophobicContact CD1-CG1 4.47Å; L41-I62 HydrophobicContact CD2-CD1 3.98Å; L41-I62 HydrophobicContact CD2-CG1 4.12Å; L41-I62 HydrophobicContact CG-CD1 4.28Å; L41-W95 HydrophobicContact CD1-CH2 3.97Å; L41-W95 HydrophobicContact CD1-CZ2 3.99Å
42	L	83.3	Confident	73.5	Confident	24 Å²	24	77.7 Å²	77.7	13%	0.126	41%	0.41	C	S	.	.	H	α-helix	trans	-71.4	-28	175.7	-69.4	179.3	0	0	0	113	F38 N39 G40 G53 L54 K58	F38-L42 HydrophobicContact CD1-CD1 4.03Å; F38-L42 HydrophobicContact CD1-CG 4.43Å; F38-L42 HydrophobicContact CE1-CD1 3.57Å; F38-L42 HydrophobicContact CE1-CG 4.15Å; F38-L42 HydrophobicContact CZ-CD1 4.31Å; F38-L42 PolarHBondContact O-N 2.61Å; F38-L42 VanDerWaalsContact O-N 3.14Å; N39-L42 PolarHBondContact O-N 2.92Å; G40-L42 VanDerWaalsContact C-N 3.32Å; G40-L42 PolarHBondContact O-N 3.23Å; L42-G53 WeakPolarHBondContact CD2-O 3.41Å; L42-L54 HydrophobicContact CD2-CD2 3.92Å; L42-L54 HydrophobicContact CD2-CG 4.48Å; L42-K58 PolarHBondContact O-NZ 2.97Å
43	G	72.7	Confident	73.3	Confident	42 Å²	42	77 Å²	77	43%	0.433	41%	0.407	S	S	.	.			trans	78.8	-179.8	-177.5	0	0	0	0	0	114.2	G40 L41 Q45	G40-G43 PolarHBondContact O-N 2.88Å; L41-G43 VanDerWaalsContact C-N 3.34Å; G43-Q45 PolarHBondContact O-N 3.31Å; G43-Q45 VanDerWaalsContact O-N 3.15Å
44	D	58.6	Low	73.3	Confident	168 Å²	168	76.4 Å²	76.4	90%	0.898	40%	0.404	S	S	*	.			trans	-73.4	104.9	-178.7	-143.1	-6.3	0	0	0	110.1	S46	D44-S46 VanDerWaalsContact C-N 3.27Å; D44-S46 PolarHBondContact O-N 2.88Å
45	Q	59.6	Low	73.2	Confident	81 Å²	81	78.6 Å²	78.6	38%	0.379	42%	0.416	S	S	.	.			trans	-72.8	72.5	-172.6	-70.9	-79.9	11.4	0	0	111.6	G43 D47	G43-Q45 PolarHBondContact O-N 3.31Å; G43-Q45 VanDerWaalsContact O-N 3.15Å; Q45-D47 VanDerWaalsContact C-N 3.31Å
46	S	47.9	Very low	73.3	Confident	121 Å²	121	83.5 Å²	83.5	85%	0.846	43%	0.434	S	S	*	.			trans	-79.2	-14.9	167.7	57.9	0	0	0	0	112.8	D44	D44-S46 VanDerWaalsContact C-N 3.27Å; D44-S46 PolarHBondContact O-N 2.88Å
47	D	45	Very low	73.5	Confident	99 Å²	99	79.6 Å²	79.6	53%	0.529	43%	0.431	S	S	.	.			trans	-119	89.6	-178.8	-133.8	-27.1	0	0	0	111.4	Q45 R49 V50	Q45-D47 VanDerWaalsContact C-N 3.31Å; D47-R49 PolarHBondContact O-N 3.4Å; D47-V50 PolarHBondContact O-N 2.88Å
48	R	47.2	Very low	73.6	Confident	239 Å²	239	81 Å²	81	90%	0.902	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	23.4	-179.6	-64.6	179.7	175.4	176.8	-2.1	114.6
49	R	48.9	Very low	73.8	Confident	229 Å²	229	80.9 Å²	80.9	86%	0.864	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-9.3	-178.3	-62.5	-172.2	-173.5	-161	3.2	113.4	D47	D47-R49 PolarHBondContact O-N 3.4Å
50	V	49.2	Very low	74.1	Confident	69 Å²	69	82.4 Å²	82.4	42%	0.418	44%	0.435	S	S	.	.	S	Bend	trans	-97.5	130.5	177.1	-168.7	0	0	0	0	107.8	D47	D47-V50 PolarHBondContact O-N 2.88Å
51	G	55.3	Low	74.5	Confident	25 Å²	25	84 Å²	84	26%	0.258	43%	0.43	S	S	.	.			trans	-47.6	156.5	-170.4	0	0	0	0	0	115.1	G53	G51-G53 PolarHBondContact O-N 3.45Å
52	N	73.6	Confident	74.9	Confident	154 Å²	154	81.8 Å²	81.8	82%	0.824	42%	0.418	S	S	*	.	S	Bend	trans	-69.5	21.3	-179.7	-74	-18.7	0	0	0	113.8
53	G	86.9	Confident	75.5	Confident	3 Å²	3	80.8 Å²	80.8	3%	0.031	41%	0.413	C	S	.	.	S	Bend	trans	-147	174	-172.3	0	0	0	0	0	113.8	L42 G51 D55 V90	L42-G53 WeakPolarHBondContact CD2-O 3.41Å; G51-G53 PolarHBondContact O-N 3.45Å; G53-D55 PolarHBondContact O-N 3.17Å; G53-V90 CarbonylContact C-O 3.52Å; G53-V90 VanDerWaalsContact CA-O 3.26Å; G53-V90 WeakPolarHBondContact CA-O 3.37Å
54	L	92	Very high	76.5	Confident	0 Å²	0	83 Å²	83	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	116.6	177.3	-60	168.7	0	0	0	108.9	F38 L41 L42 K58 F59 I62 Y89 V90 W95	F38-L54 HydrophobicContact CD2-CD1 3.87Å; F38-L54 HydrophobicContact CD2-CG 4.14Å; F38-L54 HydrophobicContact CE2-CD1 3.71Å; F38-L54 HydrophobicContact CE2-CG 3.64Å; F38-L54 HydrophobicContact CZ-CG 4.31Å; L41-L54 HydrophobicContact CB-CD2 3.87Å; L42-L54 HydrophobicContact CD2-CD2 3.92Å; L42-L54 HydrophobicContact CD2-CG 4.48Å; L54-K58 HydrophobicContact CD2-CB 4.36Å; L54-K58 HydrophobicContact CD2-CD 4.46Å; L54-F59 HydrophobicContact CB-CB 4.4Å; L54-F59 HydrophobicContact CD1-CD2 4.2Å; L54-I62 HydrophobicContact CD1-CD1 3.86Å; L54-I62 HydrophobicContact CD2-CD1 4.42Å; L54-Y89 CarbonylContact O-C 3.4Å; L54-Y89 WeakPolarHBondContact O-CA 3.45Å; L54-V90 HydrophobicContact CB-CB 4.29Å; L54-V90 PolarHBondContact N-O 2.88Å; L54-V90 PolarHBondContact O-N 3.32Å; L54-W95 HydrophobicContact CD1-CD2 4.47Å; L54-W95 HydrophobicContact CD1-CE3 3.78Å; L54-W95 HydrophobicContact CD1-CZ3 3.92Å
55	D	92.5	Very high	78.2	Confident	46 Å²	46	80.7 Å²	80.7	25%	0.246	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	166.2	170.7	65.1	58	0	0	0	111.5	G53 G57 K58 F59 Y89	G53-D55 PolarHBondContact O-N 3.17Å; D55-G57 PolarHBondContact O-N 2.88Å; D55-G57 WeakPolarHBondContact OD1-CA 3.46Å; D55-G57 PolarHBondContact OD1-N 2.78Å; D55-K58 PolarHBondContact O-N 2.77Å; D55-K58 PolarHBondContact OD1-N 3.24Å; D55-F59 WeakPolarHBondContact O-CB 3.46Å; D55-F59 PolarHBondContact O-N 3.5Å; D55-Y89 HydrophobicContact CB-CD1 4.1Å; D55-Y89 HydrophobicContact CB-CE1 3.92Å
56	R	93.4	Very high	79.7	Confident	104 Å²	104	79.4 Å²	79.4	39%	0.392	40%	0.397	S	S	.	.	H	α-helix	trans	-49.5	-41.5	178.2	-71.9	-173.7	176	95.6	11.1	113.5	R60 F79 S88	R56-R60 WeakPolarHBondContact O-CB 3.35Å; R56-R60 PolarHBondContact O-N 3.36Å; R56-F79 HydrophobicContact CB-CD2 4.45Å; R56-F79 HydrophobicContact CB-CE2 4.27Å; R56-F79 HydrophobicContact CB-CZ 4.42Å; R56-F79 HydrophobicContact CG-CD1 3.75Å; R56-F79 HydrophobicContact CG-CD2 4.07Å; R56-F79 HydrophobicContact CG-CE1 3.47Å; R56-F79 VanDerWaalsContact CG-CE1 3.47Å; R56-F79 HydrophobicContact CG-CE2 3.79Å; R56-F79 HydrophobicContact CG-CG 4.06Å; R56-F79 HydrophobicContact CG-CZ 3.49Å; R56-F79 VanDerWaalsContact CG-CZ 3.49Å; R56-S88 VanDerWaalsContact NH1-CB 3.29Å; R56-S88 PolarHBondContact NH1-OG 2.89Å; R56-S88 PolarHBondContact NH2-OG 2.73Å
57	G	93.5	Very high	81.9	Confident	37 Å²	37	74 Å²	74	38%	0.381	36%	0.358	S	S	.	.	H	α-helix	trans	-70.6	-46.8	-177	0	0	0	0	0	112.2	D55 R60 N61	D55-G57 PolarHBondContact O-N 2.88Å; D55-G57 WeakPolarHBondContact OD1-CA 3.46Å; D55-G57 PolarHBondContact OD1-N 2.78Å; G57-R60 PolarHBondContact O-N 2.88Å; G57-N61 VanDerWaalsContact O-CG 3.27Å; G57-N61 PolarHBondContact O-N 2.97Å; G57-N61 PolarHBondContact O-ND2 3.38Å
58	K	92.9	Very high	84.2	Confident	67 Å²	67	71.6 Å²	71.6	29%	0.291	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-46.7	175.7	-71.3	-175.4	-177.4	-174.3	0	111.3	L42 L54 D55 N61 I62	L42-K58 PolarHBondContact O-NZ 2.97Å; L54-K58 HydrophobicContact CD2-CB 4.36Å; L54-K58 HydrophobicContact CD2-CD 4.46Å; D55-K58 PolarHBondContact O-N 2.77Å; D55-K58 PolarHBondContact OD1-N 3.24Å; K58-N61 WeakPolarHBondContact O-CB 3.42Å; K58-N61 PolarHBondContact O-N 2.92Å; K58-I62 WeakPolarHBondContact O-CG1 3.34Å; K58-I62 PolarHBondContact O-N 3.05Å; K58-I62 VanDerWaalsContact O-N 3.15Å
59	F	95.6	Very high	86.3	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-43.4	179.7	-170	-99.8	0	0	0	112.1	L54 D55 N61 I62 L63 V78 F79 F82 V90 W95	L54-F59 HydrophobicContact CB-CB 4.4Å; L54-F59 HydrophobicContact CD1-CD2 4.2Å; D55-F59 WeakPolarHBondContact O-CB 3.46Å; D55-F59 PolarHBondContact O-N 3.5Å; F59-N61 VanDerWaalsContact C-N 3.31Å; F59-N61 PolarHBondContact O-N 3.14Å; F59-I62 WeakPolarHBondContact O-CA 3.45Å; F59-I62 WeakPolarHBondContact O-CB 3.36Å; F59-I62 PolarHBondContact O-N 3.4Å; F59-L63 HydrophobicContact CD1-CD1 3.9Å; F59-L63 HydrophobicContact CD1-CG 4.05Å; F59-L63 HydrophobicContact CE1-CD1 3.7Å; F59-L63 HydrophobicContact CE1-CD2 3.94Å; F59-L63 HydrophobicContact CE1-CG 3.87Å; F59-L63 HydrophobicContact CZ-CD2 4.15Å; F59-L63 HydrophobicContact CZ-CG 4.49Å; F59-L63 PolarHBondContact O-N 3.01Å; F59-V78 HydrophobicContact CE1-CG1 4.08Å; F59-V78 HydrophobicContact CZ-CG1 4.49Å; F59-F79 HydrophobicContact CB-CD2 3.72Å; F59-F79 HydrophobicContact CB-CE2 4.07Å; F59-F79 HydrophobicContact CD1-CB 3.91Å; F59-F79 AromaticContact CD1-CD2 3.59Å; F59-F79 HydrophobicContact CD1-CD2 3.59Å; F59-F79 HydrophobicContact CD1-CG 4.24Å; F59-F79 HydrophobicContact CE1-CB 4.19Å; F59-F79 HydrophobicContact CE1-CD2 4.39Å; F59-F79 AromaticContact CG-CD2 3.82Å; F59-F79 HydrophobicContact CG-CD2 3.82Å; F59-F79 HydrophobicContact CG-CE2 4.45Å; F59-F82 HydrophobicContact CE1-CG 4.42Å; F59-F82 AromaticContact CE2-CD1 3.78Å; F59-F82 HydrophobicContact CE2-CD1 3.78Å; F59-F82 HydrophobicContact CE2-CE1 4.09Å; F59-F82 HydrophobicContact CE2-CG 4.19Å; F59-F82 HydrophobicContact CZ-CB 4.09Å; F59-F82 AromaticContact CZ-CD1 3.6Å; F59-F82 HydrophobicContact CZ-CD1 3.6Å; F59-F82 AromaticContact CZ-CD2 3.91Å; F59-F82 HydrophobicContact CZ-CD2 3.91Å; F59-F82 AromaticContact CZ-CE1 3.89Å; F59-F82 HydrophobicContact CZ-CE1 3.89Å; F59-F82 HydrophobicContact CZ-CE2 4.19Å; F59-F82 AromaticContact CZ-CG 3.6Å; F59-F82 HydrophobicContact CZ-CG 3.6Å; F59-F82 HydrophobicContact CZ-CZ 4.18Å; F59-V90 HydrophobicContact CD2-CB 4.37Å; F59-V90 HydrophobicContact CD2-CG2 4Å; F59-V90 HydrophobicContact CE2-CG1 4.42Å; F59-V90 HydrophobicContact CE2-CG2 4.21Å; F59-V90 HydrophobicContact CG-CG2 4.28Å; F59-W95 HydrophobicContact CD2-CE3 4.43Å; F59-W95 HydrophobicContact CD2-CZ3 4.17Å; F59-W95 AromaticContact CE2-CE3 4Å; F59-W95 HydrophobicContact CE2-CE3 4Å; F59-W95 AromaticContact CE2-CZ3 3.82Å; F59-W95 HydrophobicContact CE2-CZ3 3.82Å
60	R	95.2	Very high	88.2	Confident	99 Å²	99	52.7 Å²	52.7	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-58.2	-41.6	173.9	178.6	176.2	163.1	153.3	-6.9	112.6	R56 G57 I62 L63 H64 D72 M75	R56-R60 WeakPolarHBondContact O-CB 3.35Å; R56-R60 PolarHBondContact O-N 3.36Å; G57-R60 PolarHBondContact O-N 2.88Å; R60-I62 VanDerWaalsContact C-N 3.25Å; R60-I62 PolarHBondContact O-N 3.13Å; R60-L63 PolarHBondContact O-N 2.9Å; R60-H64 WeakPolarHBondContact O-CB 3.29Å; R60-H64 PolarHBondContact O-N 3.44Å; R60-D72 IonicContact CZ-OD1 2.91Å; R60-D72 IonicContact CZ-OD2 3.27Å; R60-D72 VanDerWaalsContact CZ-OD2 3.23Å; R60-D72 IonicContact NH1-OD1 3.74Å; R60-D72 PolarHBondContact NH1-OD1 3.24Å; R60-D72 IonicContact NH1-OD2 2.72Å; R60-D72 PolarHBondContact NH1-OD2 3.34Å; R60-D72 IonicContact NH2-OD1 2.68Å; R60-D72 PolarHBondContact NH2-OD1 3.15Å; R60-D72 IonicContact NH2-OD2 2.7Å; R60-D72 PolarHBondContact NH2-OD2 2.97Å; R60-M75 HydrophobicContact CG-CB 4.42Å; R60-M75 HydrophobicContact CG-CE 4.04Å; R60-M75 HydrophobicContact CG-SD 3.84Å
61	N	94.4	Very high	90.1	Very high	94 Å²	94	50.4 Å²	50.4	50%	0.503	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-34.6	175.9	-72.4	-25.3	0	0	0	112.2	G57 K58 F59 N65	G57-N61 VanDerWaalsContact O-CG 3.27Å; G57-N61 PolarHBondContact O-N 2.97Å; G57-N61 PolarHBondContact O-ND2 3.38Å; K58-N61 WeakPolarHBondContact O-CB 3.42Å; K58-N61 PolarHBondContact O-N 2.92Å; F59-N61 VanDerWaalsContact C-N 3.31Å; F59-N61 PolarHBondContact O-N 3.14Å; N61-N65 VanDerWaalsContact O-CB 3.23Å; N61-N65 WeakPolarHBondContact O-CB 3.43Å; N61-N65 PolarHBondContact O-N 3.45Å; N61-N65 PolarHBondContact O-ND2 2.87Å; N61-N65 VanDerWaalsContact O-ND2 3.15Å
62	I	94.4	Very high	91.8	Very high	15 Å²	15	53.3 Å²	53.3	8%	0.077	29%	0.288	C	S	.	.	H	α-helix	trans	-66.4	-50.7	173.6	-63.4	161.6	0	0	0	109.8	L41 L54 K58 F59 R60 H64 N65 T66 F67 W95	L41-I62 HydrophobicContact CD1-CD1 3.63Å; L41-I62 HydrophobicContact CD1-CG1 4.47Å; L41-I62 HydrophobicContact CD2-CD1 3.98Å; L41-I62 HydrophobicContact CD2-CG1 4.12Å; L41-I62 HydrophobicContact CG-CD1 4.28Å; L54-I62 HydrophobicContact CD1-CD1 3.86Å; L54-I62 HydrophobicContact CD2-CD1 4.42Å; K58-I62 WeakPolarHBondContact O-CG1 3.34Å; K58-I62 PolarHBondContact O-N 3.05Å; K58-I62 VanDerWaalsContact O-N 3.15Å; F59-I62 WeakPolarHBondContact O-CA 3.45Å; F59-I62 WeakPolarHBondContact O-CB 3.36Å; F59-I62 PolarHBondContact O-N 3.4Å; R60-I62 VanDerWaalsContact C-N 3.25Å; R60-I62 PolarHBondContact O-N 3.13Å; I62-H64 VanDerWaalsContact C-N 3.26Å; I62-H64 PolarHBondContact O-N 2.9Å; I62-N65 PolarHBondContact O-N 3.47Å; I62-T66 WeakPolarHBondContact O-CA 3.39Å; I62-T66 WeakPolarHBondContact O-CB 3.44Å; I62-T66 PolarHBondContact O-N 3.4Å; I62-T66 PolarHBondContact O-OG1 2.96Å; I62-F67 HydrophobicContact CG2-CE2 4.21Å; I62-W95 HydrophobicContact CD1-CH2 4.32Å; I62-W95 HydrophobicContact CD1-CZ3 4.26Å; I62-W95 HydrophobicContact CG2-CH2 4.12Å; I62-W95 HydrophobicContact CG2-CZ3 4.46Å
63	L	95.6	Very high	92.6	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-53.7	-44.2	177.4	-64.3	-178.5	0	0	0	112.3	F59 R60 F67 G68 M69 M75 V78 F102	F59-L63 HydrophobicContact CD1-CD1 3.9Å; F59-L63 HydrophobicContact CD1-CG 4.05Å; F59-L63 HydrophobicContact CE1-CD1 3.7Å; F59-L63 HydrophobicContact CE1-CD2 3.94Å; F59-L63 HydrophobicContact CE1-CG 3.87Å; F59-L63 HydrophobicContact CZ-CD2 4.15Å; F59-L63 HydrophobicContact CZ-CG 4.49Å; F59-L63 PolarHBondContact O-N 3.01Å; R60-L63 PolarHBondContact O-N 2.9Å; L63-F67 HydrophobicContact CD2-CD2 4.2Å; L63-F67 CarbonylContact O-C 3.35Å; L63-F67 WeakPolarHBondContact O-CA 3.36Å; L63-F67 WeakPolarHBondContact O-CB 3.47Å; L63-F67 PolarHBondContact O-N 3.34Å; L63-F67 VanDerWaalsContact O-N 3.14Å; L63-G68 PolarHBondContact O-N 3.43Å; L63-G68 VanDerWaalsContact O-N 3.17Å; L63-M69 HydrophobicContact CB-CB 4.2Å; L63-M69 HydrophobicContact CB-CG 4.4Å; L63-M69 HydrophobicContact CB-SD 4.06Å; L63-M69 HydrophobicContact CD1-SD 4.27Å; L63-M69 HydrophobicContact CD2-SD 3.96Å; L63-M69 HydrophobicContact CG-SD 4.32Å; L63-M69 PolarHBondContact O-N 3.35Å; L63-M69 VanDerWaalsContact O-N 3.12Å; L63-M75 HydrophobicContact CB-CG 4.08Å; L63-M75 HydrophobicContact CB-SD 4.01Å; L63-M75 HydrophobicContact CD1-CB 3.91Å; L63-M75 HydrophobicContact CD1-CG 3.9Å; L63-V78 HydrophobicContact CD1-CB 4.02Å; L63-V78 HydrophobicContact CD1-CG1 3.72Å; L63-V78 HydrophobicContact CD2-CG1 3.82Å; L63-V78 HydrophobicContact CG-CG1 4.43Å; L63-F102 HydrophobicContact CD2-CE1 4.36Å; L63-F102 HydrophobicContact CD2-CZ 4.07Å
64	H	94.8	Very high	92.8	Very high	88 Å²	88	47.5 Å²	47.5	41%	0.407	26%	0.256	S	S	.	.	H	α-helix	trans	-69.9	-53.8	179.2	-179.5	-88.2	0	0	0	113	R60 I62 G68 M69 M75	R60-H64 WeakPolarHBondContact O-CB 3.29Å; R60-H64 PolarHBondContact O-N 3.44Å; I62-H64 VanDerWaalsContact C-N 3.26Å; I62-H64 PolarHBondContact O-N 2.9Å; H64-G68 VanDerWaalsContact O-CA 3.29Å; H64-G68 WeakPolarHBondContact O-CA 3.21Å; H64-G68 PolarHBondContact O-N 2.98Å; H64-G68 VanDerWaalsContact O-N 3.12Å; H64-M69 VanDerWaalsContact CA-O 3.3Å; H64-M69 WeakPolarHBondContact CA-O 3.29Å; H64-M69 PolarHBondContact CD2-O 2.9Å; H64-M69 VanDerWaalsContact CD2-O 3.23Å; H64-M75 HydrophobicContact CB-SD 4.26Å
65	N	93.4	Very high	93	Very high	121 Å²	121	47.7 Å²	47.7	65%	0.647	26%	0.257	S	S	*	.	H	α-helix	trans	-78.8	-30.4	-170.4	-63.4	-26.9	0	0	0	113.1	N61 I62	N61-N65 VanDerWaalsContact O-CB 3.23Å; N61-N65 WeakPolarHBondContact O-CB 3.43Å; N61-N65 PolarHBondContact O-N 3.45Å; N61-N65 PolarHBondContact O-ND2 2.87Å; N61-N65 VanDerWaalsContact O-ND2 3.15Å; I62-N65 PolarHBondContact O-N 3.47Å
66	T	92.8	Very high	93	Very high	54 Å²	54	48.2 Å²	48.2	33%	0.331	26%	0.259	S	S	.	.	H	α-helix	trans	-96.8	-40	-175.8	-56.6	0	0	0	0	112	I62 F203	I62-T66 WeakPolarHBondContact O-CA 3.39Å; I62-T66 WeakPolarHBondContact O-CB 3.44Å; I62-T66 PolarHBondContact O-N 3.4Å; I62-T66 PolarHBondContact O-OG1 2.96Å; T66-F203 HydrophobicContact CG2-CB 4.28Å; T66-F203 HydrophobicContact CG2-CD2 3.43Å; T66-F203 VanDerWaalsContact CG2-CD2 3.43Å; T66-F203 HydrophobicContact CG2-CE2 4.18Å; T66-F203 HydrophobicContact CG2-CG 4.28Å
67	F	94.1	Very high	93.1	Very high	7 Å²	7	44.5 Å²	44.5	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-111.9	2.8	-173.6	-58.2	-68.1	0	0	0	113.8	I62 L63 M69 L99 F102 L103 P195 F203	I62-F67 HydrophobicContact CG2-CE2 4.21Å; L63-F67 HydrophobicContact CD2-CD2 4.2Å; L63-F67 CarbonylContact O-C 3.35Å; L63-F67 WeakPolarHBondContact O-CA 3.36Å; L63-F67 WeakPolarHBondContact O-CB 3.47Å; L63-F67 PolarHBondContact O-N 3.34Å; L63-F67 VanDerWaalsContact O-N 3.14Å; F67-M69 HydrophobicContact CB-CG 4.23Å; F67-M69 PolarHBondContact O-N 3.2Å; F67-L99 HydrophobicContact CZ-CD2 4.33Å; F67-F102 HydrophobicContact CD1-CE1 4.18Å; F67-F102 AromaticContact CD2-CE1 3.87Å; F67-F102 HydrophobicContact CD2-CE1 3.87Å; F67-F102 HydrophobicContact CE1-CE1 4.32Å; F67-F102 HydrophobicContact CE2-CD1 4.47Å; F67-F102 HydrophobicContact CE2-CE1 4.02Å; F67-F102 AromaticContact CG-CE1 3.95Å; F67-F102 HydrophobicContact CG-CE1 3.95Å; F67-F102 HydrophobicContact CZ-CD1 4.37Å; F67-F102 HydrophobicContact CZ-CE1 4.24Å; F67-L103 HydrophobicContact CE1-CD2 3.73Å; F67-L103 HydrophobicContact CZ-CD2 4.04Å; F67-P195 HydrophobicContact CB-CB 4.14Å; F67-P195 HydrophobicContact CD1-CB 3.53Å; F67-P195 HydrophobicContact CD1-CG 4.24Å; F67-P195 HydrophobicContact CE1-CB 4.26Å; F67-P195 HydrophobicContact CG-CB 4.1Å; F67-F203 HydrophobicContact CE1-CB 3.94Å; F67-F203 HydrophobicContact CE1-CD2 4.28Å; F67-F203 HydrophobicContact CE1-CG 4.03Å; F67-F203 HydrophobicContact CZ-CB 4.33Å; F67-F203 HydrophobicContact CZ-CD1 4.41Å; F67-F203 AromaticContact CZ-CD2 3.83Å; F67-F203 HydrophobicContact CZ-CD2 3.83Å; F67-F203 HydrophobicContact CZ-CE2 4.14Å; F67-F203 AromaticContact CZ-CG 3.92Å; F67-F203 HydrophobicContact CZ-CG 3.92Å
68	G	91.8	Very high	93.2	Very high	49 Å²	49	42.7 Å²	42.7	51%	0.505	23%	0.227	S	C	.	.			trans	68.2	15.3	175.1	0	0	0	0	0	114.5	L63 H64	L63-G68 PolarHBondContact O-N 3.43Å; L63-G68 VanDerWaalsContact O-N 3.17Å; H64-G68 VanDerWaalsContact O-CA 3.29Å; H64-G68 WeakPolarHBondContact O-CA 3.21Å; H64-G68 PolarHBondContact O-N 2.98Å; H64-G68 VanDerWaalsContact O-N 3.12Å
69	M	91.9	Very high	93.4	Very high	11 Å²	11	39.7 Å²	39.7	5%	0.054	21%	0.214	C	C	.	.			trans	-72.4	133.5	-179.8	-59.3	-169.6	74.3	0	0	110.4	L63 H64 F67 I74 M75 V78 F102 T192	L63-M69 HydrophobicContact CB-CB 4.2Å; L63-M69 HydrophobicContact CB-CG 4.4Å; L63-M69 HydrophobicContact CB-SD 4.06Å; L63-M69 HydrophobicContact CD1-SD 4.27Å; L63-M69 HydrophobicContact CD2-SD 3.96Å; L63-M69 HydrophobicContact CG-SD 4.32Å; L63-M69 PolarHBondContact O-N 3.35Å; L63-M69 VanDerWaalsContact O-N 3.12Å; H64-M69 VanDerWaalsContact CA-O 3.3Å; H64-M69 WeakPolarHBondContact CA-O 3.29Å; H64-M69 PolarHBondContact CD2-O 2.9Å; H64-M69 VanDerWaalsContact CD2-O 3.23Å; F67-M69 HydrophobicContact CB-CG 4.23Å; F67-M69 PolarHBondContact O-N 3.2Å; M69-I74 HydrophobicContact CE-CG2 3.62Å; M69-M75 HydrophobicContact CB-CG 3.72Å; M69-M75 HydrophobicContact CB-SD 3.93Å; M69-M75 VanDerWaalsContact O-SD 3.4Å; M69-V78 HydrophobicContact CE-CG2 3.99Å; M69-F102 HydrophobicContact SD-CZ 4.04Å; M69-T192 WeakPolarHBondContact CE-O 3.39Å
70	T	89.2	Confident	93.3	Very high	60 Å²	60	45 Å²	45	37%	0.368	23%	0.234	S	C	.	.			trans	-134.2	-2.9	-173.7	51.8	0	0	0	0	113.8	R141	T70-R141 PolarHBondContact O-NH2 2.85Å; T70-R141 PolarHBondContact OG1-NH1 3.38Å; T70-R141 PolarHBondContact OG1-NH2 3.31Å
71	D	89.6	Confident	93.3	Very high	21 Å²	21	40.8 Å²	40.8	11%	0.112	22%	0.22	C	C	.	.			trans	-87.8	116.2	171.4	-174.2	-57.6	0	0	0	109.2	M73 I74 M75 N137	D71-M73 VanDerWaalsContact C-N 3.32Å; D71-M73 PolarHBondContact O-N 3.39Å; D71-M73 WeakPolarHBondContact OD1-CA 3.12Å; D71-M73 VanDerWaalsContact OD1-CB 3.32Å; D71-M73 WeakPolarHBondContact OD1-CB 3.45Å; D71-M73 PolarHBondContact OD1-N 3.09Å; D71-I74 HydrophobicContact CB-CB 4.03Å; D71-I74 HydrophobicContact CB-CG1 3.95Å; D71-I74 PolarHBondContact O-N 3.41Å; D71-I74 PolarHBondContact OD1-N 3.14Å; D71-M75 WeakPolarHBondContact O-CB 3.27Å; D71-M75 VanDerWaalsContact O-CG 3.31Å; D71-M75 WeakPolarHBondContact O-CG 3.41Å; D71-M75 PolarHBondContact O-N 3.24Å; D71-N137 WeakPolarHBondContact OD2-CB 3.41Å
72	D	90.1	Very high	93.4	Very high	86 Å²	86	36.4 Å²	36.4	46%	0.46	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-38.7	-176.5	-79.8	17.5	0	0	0	113.2	R60 D76	R60-D72 IonicContact CZ-OD1 2.91Å; R60-D72 IonicContact CZ-OD2 3.27Å; R60-D72 VanDerWaalsContact CZ-OD2 3.23Å; R60-D72 IonicContact NH1-OD1 3.74Å; R60-D72 PolarHBondContact NH1-OD1 3.24Å; R60-D72 IonicContact NH1-OD2 2.72Å; R60-D72 PolarHBondContact NH1-OD2 3.34Å; R60-D72 IonicContact NH2-OD1 2.68Å; R60-D72 PolarHBondContact NH2-OD1 3.15Å; R60-D72 IonicContact NH2-OD2 2.7Å; R60-D72 PolarHBondContact NH2-OD2 2.97Å; D72-D76 PolarHBondContact O-N 3.37Å
73	M	90.1	Very high	93.4	Very high	33 Å²	33	35.8 Å²	35.8	16%	0.163	19%	0.193	C	C	.	.	H	α-helix	trans	-68.3	-49.3	179.5	179.4	-177.2	175.1	0	0	109.2	D71 M75 D76 R77 L120 H133 M134 N137	D71-M73 VanDerWaalsContact C-N 3.32Å; D71-M73 PolarHBondContact O-N 3.39Å; D71-M73 WeakPolarHBondContact OD1-CA 3.12Å; D71-M73 VanDerWaalsContact OD1-CB 3.32Å; D71-M73 WeakPolarHBondContact OD1-CB 3.45Å; D71-M73 PolarHBondContact OD1-N 3.09Å; M73-M75 VanDerWaalsContact C-N 3.32Å; M73-M75 PolarHBondContact O-N 3.17Å; M73-D76 PolarHBondContact O-N 3.15Å; M73-R77 VanDerWaalsContact O-CG 3.32Å; M73-R77 WeakPolarHBondContact O-CG 3.3Å; M73-R77 PolarHBondContact O-N 3.33Å; M73-L120 HydrophobicContact CE-CD1 3.25Å; M73-L120 HydrophobicContact CE-CD2 3.69Å; M73-L120 HydrophobicContact CE-CG 4.13Å; M73-H133 HydrophobicContact CE-CB 4.03Å; M73-H133 HydrophobicContact SD-CB 4.4Å; M73-M134 HydrophobicContact CE-CB 4.41Å; M73-M134 HydrophobicContact CE-CG 3.37Å; M73-M134 HydrophobicContact SD-CG 4.1Å; M73-N137 PolarHBondContact SD-ND2 3.37Å
74	I	92.7	Very high	93.3	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-40.1	178.7	-59	-64.6	0	0	0	111.1	M69 D71 D76 R77 V78 Y118 T192 C193	M69-I74 HydrophobicContact CE-CG2 3.62Å; D71-I74 HydrophobicContact CB-CB 4.03Å; D71-I74 HydrophobicContact CB-CG1 3.95Å; D71-I74 PolarHBondContact O-N 3.41Å; D71-I74 PolarHBondContact OD1-N 3.14Å; I74-D76 VanDerWaalsContact C-N 3.35Å; I74-D76 PolarHBondContact O-N 2.82Å; I74-R77 PolarHBondContact O-N 2.9Å; I74-V78 HydrophobicContact CG2-CG2 4.21Å; I74-V78 WeakPolarHBondContact O-CG2 3.39Å; I74-V78 PolarHBondContact O-N 3.08Å; I74-Y118 HydrophobicContact CD1-CE1 4.32Å; I74-T192 WeakPolarHBondContact CG2-O 3.26Å; I74-C193 HydrophobicContact CG2-CB 3.62Å
75	M	94.4	Very high	93.2	Very high	4 Å²	4	42 Å²	42	2%	0.02	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-38.3	175.6	-74.9	-171.6	-67.5	0	0	112.8	R60 L63 H64 M69 D71 M73 R77 F79	R60-M75 HydrophobicContact CG-CB 4.42Å; R60-M75 HydrophobicContact CG-CE 4.04Å; R60-M75 HydrophobicContact CG-SD 3.84Å; L63-M75 HydrophobicContact CB-CG 4.08Å; L63-M75 HydrophobicContact CB-SD 4.01Å; L63-M75 HydrophobicContact CD1-CB 3.91Å; L63-M75 HydrophobicContact CD1-CG 3.9Å; H64-M75 HydrophobicContact CB-SD 4.26Å; M69-M75 HydrophobicContact CB-CG 3.72Å; M69-M75 HydrophobicContact CB-SD 3.93Å; M69-M75 VanDerWaalsContact O-SD 3.4Å; D71-M75 WeakPolarHBondContact O-CB 3.27Å; D71-M75 VanDerWaalsContact O-CG 3.31Å; D71-M75 WeakPolarHBondContact O-CG 3.41Å; D71-M75 PolarHBondContact O-N 3.24Å; M73-M75 VanDerWaalsContact C-N 3.32Å; M73-M75 PolarHBondContact O-N 3.17Å; M75-R77 VanDerWaalsContact C-N 3.34Å; M75-F79 PolarHBondContact O-N 2.71Å
76	D	94	Very high	93.1	Very high	56 Å²	56	41.7 Å²	41.7	30%	0.299	22%	0.222	S	C	.	.	H	α-helix	trans	-64.6	-39.9	173	-173.4	75.6	0	0	0	111.5	D72 M73 I74 F79 R80	D72-D76 PolarHBondContact O-N 3.37Å; M73-D76 PolarHBondContact O-N 3.15Å; I74-D76 VanDerWaalsContact C-N 3.35Å; I74-D76 PolarHBondContact O-N 2.82Å; D76-F79 WeakPolarHBondContact O-CB 3.46Å; D76-F79 PolarHBondContact O-N 2.68Å; D76-R80 WeakPolarHBondContact O-CG 3.49Å; D76-R80 PolarHBondContact O-N 2.79Å; D76-R80 IonicContact OD2-CZ 3.72Å; D76-R80 IonicContact OD2-NE 3.82Å; D76-R80 PolarHBondContact OD2-NE 3.02Å; D76-R80 IonicContact OD2-NH2 2.96Å
77	R	94.4	Very high	93.1	Very high	26 Å²	26	43 Å²	43	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-68.2	-40.4	178	-64.9	-51.9	-59	-176	2.6	112.8	M73 I74 M75 F79 R80 A81 D116 V117 D119 L120	M73-R77 VanDerWaalsContact O-CG 3.32Å; M73-R77 WeakPolarHBondContact O-CG 3.3Å; M73-R77 PolarHBondContact O-N 3.33Å; I74-R77 PolarHBondContact O-N 2.9Å; M75-R77 VanDerWaalsContact C-N 3.34Å; R77-F79 VanDerWaalsContact C-N 3.32Å; R77-F79 PolarHBondContact O-N 3.47Å; R77-R80 PolarHBondContact O-N 3.17Å; R77-A81 WeakPolarHBondContact O-CB 3.5Å; R77-A81 PolarHBondContact O-N 3.21Å; R77-D116 PolarHBondContact NH2-O 2.95Å; R77-V117 HydrophobicContact CB-CB 4.43Å; R77-V117 HydrophobicContact CB-CG1 3.62Å; R77-V117 WeakPolarHBondContact CB-O 3.4Å; R77-V117 WeakPolarHBondContact CG-O 3.22Å; R77-V117 PolarHBondContact NE-O 2.95Å; R77-D119 PolarHBondContact NH2-O 3.35Å; R77-L120 HydrophobicContact CG-CD2 3.95Å; R77-L120 VanDerWaalsContact CZ-CA 3.49Å; R77-L120 PolarHBondContact NH1-O 3.22Å
78	V	96.1	Very high	93.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-39.8	172.2	167.9	0	0	0	0	110.9	F59 L63 M69 I74 A81 F82 F102 Y113 V117 C193	F59-V78 HydrophobicContact CE1-CG1 4.08Å; F59-V78 HydrophobicContact CZ-CG1 4.49Å; L63-V78 HydrophobicContact CD1-CB 4.02Å; L63-V78 HydrophobicContact CD1-CG1 3.72Å; L63-V78 HydrophobicContact CD2-CG1 3.82Å; L63-V78 HydrophobicContact CG-CG1 4.43Å; M69-V78 HydrophobicContact CE-CG2 3.99Å; I74-V78 HydrophobicContact CG2-CG2 4.21Å; I74-V78 WeakPolarHBondContact O-CG2 3.39Å; I74-V78 PolarHBondContact O-N 3.08Å; V78-A81 PolarHBondContact O-N 3.32Å; V78-F82 HydrophobicContact CG1-CD2 4.25Å; V78-F82 HydrophobicContact CG1-CE2 4.13Å; V78-F82 VanDerWaalsContact O-CD2 3.29Å; V78-F82 WeakPolarHBondContact O-CD2 3.49Å; V78-F82 PolarHBondContact O-N 3.27Å; V78-F82 VanDerWaalsContact O-N 3.13Å; V78-F102 HydrophobicContact CG1-CE2 3.89Å; V78-F102 HydrophobicContact CG1-CZ 4.25Å; V78-F102 HydrophobicContact CG2-CE2 4.48Å; V78-Y113 VanDerWaalsContact CG1-OH 3.31Å; V78-Y113 WeakPolarHBondContact CG1-OH 3.34Å; V78-V117 HydrophobicContact CG2-CG2 4.39Å; V78-C193 HydrophobicContact CG2-CB 4.19Å
79	F	96.2	Very high	93.3	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-50.5	171.9	177	-85.5	0	0	0	111.6	R56 F59 M75 D76 R77 A81 F82 D83 S88 V90	R56-F79 HydrophobicContact CB-CD2 4.45Å; R56-F79 HydrophobicContact CB-CE2 4.27Å; R56-F79 HydrophobicContact CB-CZ 4.42Å; R56-F79 HydrophobicContact CG-CD1 3.75Å; R56-F79 HydrophobicContact CG-CD2 4.07Å; R56-F79 HydrophobicContact CG-CE1 3.47Å; R56-F79 VanDerWaalsContact CG-CE1 3.47Å; R56-F79 HydrophobicContact CG-CE2 3.79Å; R56-F79 HydrophobicContact CG-CG 4.06Å; R56-F79 HydrophobicContact CG-CZ 3.49Å; R56-F79 VanDerWaalsContact CG-CZ 3.49Å; F59-F79 HydrophobicContact CB-CD2 3.72Å; F59-F79 HydrophobicContact CB-CE2 4.07Å; F59-F79 HydrophobicContact CD1-CB 3.91Å; F59-F79 AromaticContact CD1-CD2 3.59Å; F59-F79 HydrophobicContact CD1-CD2 3.59Å; F59-F79 HydrophobicContact CD1-CG 4.24Å; F59-F79 HydrophobicContact CE1-CB 4.19Å; F59-F79 HydrophobicContact CE1-CD2 4.39Å; F59-F79 AromaticContact CG-CD2 3.82Å; F59-F79 HydrophobicContact CG-CD2 3.82Å; F59-F79 HydrophobicContact CG-CE2 4.45Å; M75-F79 PolarHBondContact O-N 2.71Å; D76-F79 WeakPolarHBondContact O-CB 3.46Å; D76-F79 PolarHBondContact O-N 2.68Å; R77-F79 VanDerWaalsContact C-N 3.32Å; R77-F79 PolarHBondContact O-N 3.47Å; F79-A81 VanDerWaalsContact C-N 3.26Å; F79-A81 PolarHBondContact O-N 3.21Å; F79-F82 WeakPolarHBondContact O-CB 3.34Å; F79-F82 PolarHBondContact O-N 3.46Å; F79-D83 HydrophobicContact CD1-CB 4.3Å; F79-D83 HydrophobicContact CE1-CB 3.82Å; F79-D83 WeakPolarHBondContact CE1-OD2 3.43Å; F79-D83 HydrophobicContact CZ-CB 4.24Å; F79-D83 WeakPolarHBondContact O-CB 3.43Å; F79-D83 PolarHBondContact O-N 2.84Å; F79-S88 WeakPolarHBondContact CZ-O 3.34Å; F79-V90 HydrophobicContact CD2-CG2 3.96Å; F79-V90 HydrophobicContact CE2-CG2 3.66Å; F79-V90 HydrophobicContact CZ-CG2 4.22Å
80	R	94.6	Very high	93.5	Very high	114 Å²	114	45.2 Å²	45.2	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-32.9	177.7	-69.1	173.6	-176.8	-114.8	0.6	112.8	D76 R77 F82 D83	D76-R80 WeakPolarHBondContact O-CG 3.49Å; D76-R80 PolarHBondContact O-N 2.79Å; D76-R80 IonicContact OD2-CZ 3.72Å; D76-R80 IonicContact OD2-NE 3.82Å; D76-R80 PolarHBondContact OD2-NE 3.02Å; D76-R80 IonicContact OD2-NH2 2.96Å; R77-R80 PolarHBondContact O-N 3.17Å; R80-F82 VanDerWaalsContact C-N 3.26Å; R80-F82 PolarHBondContact O-N 2.58Å; R80-D83 VanDerWaalsContact O-O 3.14Å
81	A	94.4	Very high	93.7	Very high	9 Å²	9	44 Å²	44	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-28.5	175.8	0	0	0	0	0	112.2	R77 V78 F79 K84 Y113 V117	R77-A81 WeakPolarHBondContact O-CB 3.5Å; R77-A81 PolarHBondContact O-N 3.21Å; V78-A81 PolarHBondContact O-N 3.32Å; F79-A81 VanDerWaalsContact C-N 3.26Å; F79-A81 PolarHBondContact O-N 3.21Å; A81-K84 WeakPolarHBondContact O-CE 3.35Å; A81-K84 PolarHBondContact O-NZ 2.91Å; A81-Y113 HydrophobicContact CB-CD2 4.33Å; A81-Y113 HydrophobicContact CB-CE2 3.69Å; A81-V117 HydrophobicContact CB-CG2 3.88Å
82	F	95.9	Very high	93.9	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-82	-44.4	173.6	-84.8	-120.4	0	0	0	112.2	F59 V78 F79 R80 K84 V90 E94 L99 F102 Y113	F59-F82 HydrophobicContact CE1-CG 4.42Å; F59-F82 AromaticContact CE2-CD1 3.78Å; F59-F82 HydrophobicContact CE2-CD1 3.78Å; F59-F82 HydrophobicContact CE2-CE1 4.09Å; F59-F82 HydrophobicContact CE2-CG 4.19Å; F59-F82 HydrophobicContact CZ-CB 4.09Å; F59-F82 AromaticContact CZ-CD1 3.6Å; F59-F82 HydrophobicContact CZ-CD1 3.6Å; F59-F82 AromaticContact CZ-CD2 3.91Å; F59-F82 HydrophobicContact CZ-CD2 3.91Å; F59-F82 AromaticContact CZ-CE1 3.89Å; F59-F82 HydrophobicContact CZ-CE1 3.89Å; F59-F82 HydrophobicContact CZ-CE2 4.19Å; F59-F82 AromaticContact CZ-CG 3.6Å; F59-F82 HydrophobicContact CZ-CG 3.6Å; F59-F82 HydrophobicContact CZ-CZ 4.18Å; V78-F82 HydrophobicContact CG1-CD2 4.25Å; V78-F82 HydrophobicContact CG1-CE2 4.13Å; V78-F82 VanDerWaalsContact O-CD2 3.29Å; V78-F82 WeakPolarHBondContact O-CD2 3.49Å; V78-F82 PolarHBondContact O-N 3.27Å; V78-F82 VanDerWaalsContact O-N 3.13Å; F79-F82 WeakPolarHBondContact O-CB 3.34Å; F79-F82 PolarHBondContact O-N 3.46Å; R80-F82 VanDerWaalsContact C-N 3.26Å; R80-F82 PolarHBondContact O-N 2.58Å; F82-K84 PolarHBondContact O-N 3.13Å; F82-V90 HydrophobicContact CB-CG1 4.27Å; F82-V90 HydrophobicContact CB-CG2 3.88Å; F82-V90 HydrophobicContact CD1-CG1 4.24Å; F82-E94 VanDerWaalsContact O-CB 3.26Å; F82-E94 WeakPolarHBondContact O-CB 3.37Å; F82-E94 WeakPolarHBondContact O-CG 3.38Å; F82-L99 HydrophobicContact CE1-CD2 4.39Å; F82-L99 HydrophobicContact CE1-CG 4.31Å; F82-L99 HydrophobicContact CZ-CD2 4.43Å; F82-F102 HydrophobicContact CE2-CB 4.32Å; F82-F102 HydrophobicContact CE2-CD2 4Å; F82-F102 HydrophobicContact CE2-CG 4.21Å; F82-F102 HydrophobicContact CZ-CB 3.9Å; F82-F102 HydrophobicContact CZ-CD1 4.44Å; F82-F102 HydrophobicContact CZ-CD2 4.26Å; F82-F102 AromaticContact CZ-CG 3.99Å; F82-F102 HydrophobicContact CZ-CG 3.99Å; F82-Y113 HydrophobicContact CD2-CE2 4.4Å; F82-Y113 HydrophobicContact CE2-CE2 4.17Å
83	D	95.4	Very high	94.1	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.011	22%	0.221	C	C	.	.			trans	-73	85	177.7	178.4	9.3	0	0	0	110.9	F79 R80 N86 D87 S88	F79-D83 HydrophobicContact CD1-CB 4.3Å; F79-D83 HydrophobicContact CE1-CB 3.82Å; F79-D83 WeakPolarHBondContact CE1-OD2 3.43Å; F79-D83 HydrophobicContact CZ-CB 4.24Å; F79-D83 WeakPolarHBondContact O-CB 3.43Å; F79-D83 PolarHBondContact O-N 2.84Å; R80-D83 VanDerWaalsContact O-O 3.14Å; D83-N86 WeakPolarHBondContact OD1-CA 3.45Å; D83-N86 PolarHBondContact OD1-N 3.21Å; D83-D87 PolarHBondContact OD1-N 3.31Å; D83-D87 VanDerWaalsContact OD1-N 3.16Å; D83-S88 VanDerWaalsContact OD2-CA 3.23Å; D83-S88 WeakPolarHBondContact OD2-CA 3.37Å; D83-S88 PolarHBondContact OD2-N 2.78Å
84	K	92.6	Very high	94.4	Very high	121 Å²	121	43.6 Å²	43.6	53%	0.526	22%	0.215	S	C	.	.	S	Bend	trans	-78.1	-31	-173.9	-67.2	-52.8	-168.3	-166.4	0	112.6	A81 F82 E94	A81-K84 WeakPolarHBondContact O-CE 3.35Å; A81-K84 PolarHBondContact O-NZ 2.91Å; F82-K84 PolarHBondContact O-N 3.13Å; K84-E94 HydrophobicContact CB-CG 4.41Å; K84-E94 HydrophobicContact CG-CG 4.47Å; K84-E94 PolarHBondContact N-OE1 3.42Å
85	D	93.2	Very high	94.5	Very high	99 Å²	99	43.6 Å²	43.6	53%	0.529	22%	0.215	S	C	.	.	S	Bend	trans	-90.9	-4.4	178.5	71.2	16	0	0	0	113.8	D87 E94	D85-D87 PolarHBondContact O-N 3.2Å; D85-D87 VanDerWaalsContact OD1-CB 3.27Å; D85-D87 WeakPolarHBondContact OD1-CB 3.49Å; D85-D87 VanDerWaalsContact OD1-CG 3.27Å; D85-D87 PolarHBondContact OD1-N 3.41Å; D85-D87 VanDerWaalsContact OD1-N 3.08Å; D85-E94 PolarHBondContact N-OE1 3.02Å
86	N	92	Very high	94.6	Very high	114 Å²	114	43.4 Å²	43.4	61%	0.61	21%	0.214	S	C	*	.			trans	61.3	29	178.3	-60.7	-82.1	0	0	0	113.2	D83 S88	D83-N86 WeakPolarHBondContact OD1-CA 3.45Å; D83-N86 PolarHBondContact OD1-N 3.21Å; N86-S88 PolarHBondContact O-N 3.43Å
87	D	93.5	Very high	94.6	Very high	81 Å²	81	43.2 Å²	43.2	43%	0.433	21%	0.211	S	C	.	.	S	Bend	trans	-77.6	0.1	176.4	86.1	-3.7	0	0	0	113.2	D83 D85 Y89	D83-D87 PolarHBondContact OD1-N 3.31Å; D83-D87 VanDerWaalsContact OD1-N 3.16Å; D85-D87 PolarHBondContact O-N 3.2Å; D85-D87 VanDerWaalsContact OD1-CB 3.27Å; D85-D87 WeakPolarHBondContact OD1-CB 3.49Å; D85-D87 VanDerWaalsContact OD1-CG 3.27Å; D85-D87 PolarHBondContact OD1-N 3.41Å; D85-D87 VanDerWaalsContact OD1-N 3.08Å; D87-Y89 VanDerWaalsContact C-N 3.27Å; D87-Y89 WeakPolarHBondContact O-CD2 3.23Å; D87-Y89 WeakPolarHBondContact OD1-CA 3.29Å; D87-Y89 VanDerWaalsContact OD1-CB 3.29Å; D87-Y89 WeakPolarHBondContact OD1-CB 3.34Å; D87-Y89 PolarHBondContact OD1-N 3.27Å; D87-Y89 VanDerWaalsContact OD1-O 3.05Å
88	S	93.6	Very high	94.7	Very high	40 Å²	40	42.4 Å²	42.4	28%	0.28	21%	0.211	S	C	.	.	S	Bend	trans	69.6	17.2	-176.2	-58.5	0	0	0	0	115.1	R56 F79 D83 N86	R56-S88 VanDerWaalsContact NH1-CB 3.29Å; R56-S88 PolarHBondContact NH1-OG 2.89Å; R56-S88 PolarHBondContact NH2-OG 2.73Å; F79-S88 WeakPolarHBondContact CZ-O 3.34Å; D83-S88 VanDerWaalsContact OD2-CA 3.23Å; D83-S88 WeakPolarHBondContact OD2-CA 3.37Å; D83-S88 PolarHBondContact OD2-N 2.78Å; N86-S88 PolarHBondContact O-N 3.43Å
89	Y	94.7	Very high	94.8	Very high	74 Å²	74	42.5 Å²	42.5	29%	0.29	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151	169.4	-62	-90.7	0	0	0	110.2	L54 D55 D87	L54-Y89 CarbonylContact O-C 3.4Å; L54-Y89 WeakPolarHBondContact O-CA 3.45Å; D55-Y89 HydrophobicContact CB-CD1 4.1Å; D55-Y89 HydrophobicContact CB-CE1 3.92Å; D87-Y89 VanDerWaalsContact C-N 3.27Å; D87-Y89 WeakPolarHBondContact O-CD2 3.23Å; D87-Y89 WeakPolarHBondContact OD1-CA 3.29Å; D87-Y89 VanDerWaalsContact OD1-CB 3.29Å; D87-Y89 WeakPolarHBondContact OD1-CB 3.34Å; D87-Y89 PolarHBondContact OD1-N 3.27Å; D87-Y89 VanDerWaalsContact OD1-O 3.05Å
90	V	96	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	109.1	165.8	178	0	0	0	0	107.7	F38 G53 L54 F59 F79 F82 E94 W95	F38-V90 WeakPolarHBondContact CE2-O 3.36Å; F38-V90 WeakPolarHBondContact CZ-O 3.26Å; G53-V90 CarbonylContact C-O 3.52Å; G53-V90 VanDerWaalsContact CA-O 3.26Å; G53-V90 WeakPolarHBondContact CA-O 3.37Å; L54-V90 HydrophobicContact CB-CB 4.29Å; L54-V90 PolarHBondContact N-O 2.88Å; L54-V90 PolarHBondContact O-N 3.32Å; F59-V90 HydrophobicContact CD2-CB 4.37Å; F59-V90 HydrophobicContact CD2-CG2 4Å; F59-V90 HydrophobicContact CE2-CG1 4.42Å; F59-V90 HydrophobicContact CE2-CG2 4.21Å; F59-V90 HydrophobicContact CG-CG2 4.28Å; F79-V90 HydrophobicContact CD2-CG2 3.96Å; F79-V90 HydrophobicContact CE2-CG2 3.66Å; F79-V90 HydrophobicContact CZ-CG2 4.22Å; F82-V90 HydrophobicContact CB-CG1 4.27Å; F82-V90 HydrophobicContact CB-CG2 3.88Å; F82-V90 HydrophobicContact CD1-CG1 4.24Å; V90-E94 HydrophobicContact CG1-CB 3.97Å; V90-W95 HydrophobicContact CG1-CB 4.09Å
91	S	94.3	Very high	94.9	Very high	34 Å²	34	39.3 Å²	39.3	24%	0.238	20%	0.203	C	C	.	.			trans	-69.7	165.9	174	70.6	0	0	0	0	111.8	K93 E94 W95	S91-K93 PolarHBondContact O-N 3.08Å; S91-E94 WeakPolarHBondContact CB-OE2 2.95Å; S91-E94 PolarHBondContact N-OE2 2.83Å; S91-E94 PolarHBondContact O-N 2.85Å; S91-E94 WeakPolarHBondContact OG-CG 3.37Å; S91-E94 PolarHBondContact OG-N 3.44Å; S91-E94 PolarHBondContact OG-OE2 3.5Å; S91-W95 VanDerWaalsContact O-CB 3.3Å; S91-W95 WeakPolarHBondContact O-CB 3.24Å; S91-W95 PolarHBondContact O-N 2.73Å
92	V	93.1	Very high	94.9	Very high	30 Å²	30	38.9 Å²	38.9	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-31	176.3	66.9	0	0	0	0	112.6	L15 I35 F38 I96	L15-V92 HydrophobicContact CD2-CG1 3.93Å; L15-V92 HydrophobicContact CD2-CG2 4.37Å; I35-V92 HydrophobicContact CB-CG2 4.4Å; I35-V92 HydrophobicContact CG1-CG2 3.82Å; I35-V92 HydrophobicContact CG2-CG2 4.34Å; F38-V92 HydrophobicContact CB-CG2 4.47Å; F38-V92 HydrophobicContact CD1-CB 3.84Å; F38-V92 HydrophobicContact CD1-CG2 3.95Å; F38-V92 HydrophobicContact CE1-CB 3.72Å; F38-V92 HydrophobicContact CE1-CG2 4.36Å; F38-V92 HydrophobicContact CG-CB 4.33Å; F38-V92 HydrophobicContact CG-CG2 4.19Å; F38-V92 HydrophobicContact CZ-CB 4.12Å; F38-V92 VanDerWaalsContact CZ-N 3.34Å; V92-I96 WeakPolarHBondContact O-CG1 3.21Å; V92-I96 PolarHBondContact O-N 3.05Å
93	K	94.6	Very high	94.9	Very high	94 Å²	94	39.2 Å²	39.2	41%	0.409	20%	0.201	S	C	.	.	H	α-helix	trans	-67.9	-53.3	177.2	176.9	-174.6	170.9	-157.8	0	109.8	L19 S91 W95 I96 E97	L19-K93 HydrophobicContact CD2-CB 4.03Å; L19-K93 HydrophobicContact CD2-CG 3.79Å; S91-K93 PolarHBondContact O-N 3.08Å; K93-W95 VanDerWaalsContact C-N 3.27Å; K93-W95 PolarHBondContact O-N 2.91Å; K93-I96 PolarHBondContact O-N 2.72Å; K93-I96 VanDerWaalsContact O-N 3.13Å; K93-E97 VanDerWaalsContact CE-CD 3.47Å; K93-E97 WeakPolarHBondContact CE-OE1 3.34Å; K93-E97 HydrophobicContact CG-CG 4.44Å; K93-E97 IonicContact NZ-OE1 2.81Å; K93-E97 WeakPolarHBondContact O-CG 3.49Å; K93-E97 PolarHBondContact O-N 3.24Å
94	E	96.4	Very high	95	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-35.1	179	-74	163	143	0	0	112.6	F82 K84 D85 V90 S91 G98	F82-E94 VanDerWaalsContact O-CB 3.26Å; F82-E94 WeakPolarHBondContact O-CB 3.37Å; F82-E94 WeakPolarHBondContact O-CG 3.38Å; K84-E94 HydrophobicContact CB-CG 4.41Å; K84-E94 HydrophobicContact CG-CG 4.47Å; K84-E94 PolarHBondContact N-OE1 3.42Å; D85-E94 PolarHBondContact N-OE1 3.02Å; V90-E94 HydrophobicContact CG1-CB 3.97Å; S91-E94 WeakPolarHBondContact CB-OE2 2.95Å; S91-E94 PolarHBondContact N-OE2 2.83Å; S91-E94 PolarHBondContact O-N 2.85Å; S91-E94 WeakPolarHBondContact OG-CG 3.37Å; S91-E94 PolarHBondContact OG-N 3.44Å; S91-E94 PolarHBondContact OG-OE2 3.5Å; E94-G98 WeakPolarHBondContact O-CA 3.4Å; E94-G98 PolarHBondContact O-N 3.49Å
95	W	95.6	Very high	95.2	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-57.5	-49.9	171.7	174.3	-103.3	0	0	0	111.9	L34 L37 F38 L41 L54 F59 I62 V90 S91 K93 L99 F203	L34-W95 PolarHBondContact O-NE1 2.9Å; L37-W95 HydrophobicContact CD2-CZ2 4.21Å; F38-W95 HydrophobicContact CB-CG 4.49Å; F38-W95 HydrophobicContact CD2-CB 3.76Å; F38-W95 AromaticContact CD2-CD1 3.92Å; F38-W95 AromaticContact CD2-CD2 3.97Å; F38-W95 HydrophobicContact CD2-CD2 3.97Å; F38-W95 AromaticContact CD2-CG 3.6Å; F38-W95 HydrophobicContact CD2-CG 3.6Å; F38-W95 HydrophobicContact CE2-CB 3.95Å; F38-W95 HydrophobicContact CE2-CG 4.26Å; F38-W95 HydrophobicContact CG-CG 4.43Å; L41-W95 HydrophobicContact CD1-CH2 3.97Å; L41-W95 HydrophobicContact CD1-CZ2 3.99Å; L54-W95 HydrophobicContact CD1-CD2 4.47Å; L54-W95 HydrophobicContact CD1-CE3 3.78Å; L54-W95 HydrophobicContact CD1-CZ3 3.92Å; F59-W95 HydrophobicContact CD2-CE3 4.43Å; F59-W95 HydrophobicContact CD2-CZ3 4.17Å; F59-W95 AromaticContact CE2-CE3 4Å; F59-W95 HydrophobicContact CE2-CE3 4Å; F59-W95 AromaticContact CE2-CZ3 3.82Å; F59-W95 HydrophobicContact CE2-CZ3 3.82Å; I62-W95 HydrophobicContact CD1-CH2 4.32Å; I62-W95 HydrophobicContact CD1-CZ3 4.26Å; I62-W95 HydrophobicContact CG2-CH2 4.12Å; I62-W95 HydrophobicContact CG2-CZ3 4.46Å; V90-W95 HydrophobicContact CG1-CB 4.09Å; S91-W95 VanDerWaalsContact O-CB 3.3Å; S91-W95 WeakPolarHBondContact O-CB 3.24Å; S91-W95 PolarHBondContact O-N 2.73Å; K93-W95 VanDerWaalsContact C-N 3.27Å; K93-W95 PolarHBondContact O-N 2.91Å; W95-L99 HydrophobicContact CD2-CD1 3.92Å; W95-L99 HydrophobicContact CD2-CG 4.33Å; W95-L99 HydrophobicContact CG-CD1 4.39Å; W95-L99 HydrophobicContact CH2-CD1 4.15Å; W95-L99 HydrophobicContact CZ2-CD1 3.51Å; W95-L99 HydrophobicContact CZ2-CG 4.42Å; W95-L99 VanDerWaalsContact O-CB 3.27Å; W95-L99 WeakPolarHBondContact O-CB 3.26Å; W95-L99 VanDerWaalsContact O-CG 3.26Å; W95-L99 WeakPolarHBondContact O-CG 3.41Å; W95-L99 PolarHBondContact O-N 3.27Å; W95-F203 HydrophobicContact CZ2-CZ 4.23Å
96	I	95.6	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.8	-42.7	-179.4	-63.4	-179.7	0	0	0	111.1	L19 V23 F26 A31 L34 I35 V92 K93 S100	L19-I96 HydrophobicContact CB-CD1 4.07Å; L19-I96 HydrophobicContact CD1-CD1 3.45Å; L19-I96 VanDerWaalsContact CD1-CD1 3.45Å; L19-I96 HydrophobicContact CD1-CG1 4.44Å; L19-I96 HydrophobicContact CG-CD1 4.39Å; V23-I96 HydrophobicContact CG1-CG2 3.9Å; V23-I96 HydrophobicContact CG2-CG2 4.06Å; F26-I96 HydrophobicContact CD2-CG2 4.13Å; A31-I96 HydrophobicContact CB-CD1 4.36Å; L34-I96 HydrophobicContact CB-CG1 4.19Å; L34-I96 HydrophobicContact CD1-CG1 4.49Å; I35-I96 HydrophobicContact CD1-CD1 4.07Å; I35-I96 HydrophobicContact CG1-CD1 3.61Å; V92-I96 WeakPolarHBondContact O-CG1 3.21Å; V92-I96 PolarHBondContact O-N 3.05Å; K93-I96 PolarHBondContact O-N 2.72Å; K93-I96 VanDerWaalsContact O-N 3.13Å; I96-S100 WeakPolarHBondContact O-CB 3.26Å; I96-S100 PolarHBondContact O-N 3.18Å
97	E	95.5	Very high	95.5	Very high	53 Å²	53	33.1 Å²	33.1	25%	0.248	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-48.5	177.6	-72.6	178.3	161.7	0	0	111.6	V23 K93 S100	V23-E97 HydrophobicContact CG1-CB 4.39Å; V23-E97 HydrophobicContact CG1-CG 3.84Å; K93-E97 VanDerWaalsContact CE-CD 3.47Å; K93-E97 WeakPolarHBondContact CE-OE1 3.34Å; K93-E97 HydrophobicContact CG-CG 4.44Å; K93-E97 IonicContact NZ-OE1 2.81Å; K93-E97 WeakPolarHBondContact O-CG 3.49Å; K93-E97 PolarHBondContact O-N 3.24Å; E97-S100 WeakPolarHBondContact O-CB 3.17Å; E97-S100 PolarHBondContact O-N 3.45Å
98	G	96	Very high	95.7	Very high	9 Å²	9	33 Å²	33	9%	0.093	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-49.3	178	0	0	0	0	0	112	E94 S100 I101 F102	E94-G98 WeakPolarHBondContact O-CA 3.4Å; E94-G98 PolarHBondContact O-N 3.49Å; G98-S100 PolarHBondContact O-N 3.44Å; G98-I101 PolarHBondContact O-N 3.3Å; G98-I101 VanDerWaalsContact O-N 3.16Å; G98-F102 VanDerWaalsContact O-CB 3.24Å; G98-F102 WeakPolarHBondContact O-CB 3.48Å; G98-F102 PolarHBondContact O-N 3.28Å
99	L	96.9	Very high	95.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-28.8	177.1	-75.3	-176.6	0	0	0	113.1	F26 L34 F67 F82 W95 I101 F102 L103 F203	F26-L99 HydrophobicContact CE2-CB 3.99Å; F26-L99 HydrophobicContact CZ-CB 4.25Å; L34-L99 HydrophobicContact CD1-CD1 4.3Å; L34-L99 HydrophobicContact CD2-CD1 3.8Å; F67-L99 HydrophobicContact CZ-CD2 4.33Å; F82-L99 HydrophobicContact CE1-CD2 4.39Å; F82-L99 HydrophobicContact CE1-CG 4.31Å; F82-L99 HydrophobicContact CZ-CD2 4.43Å; W95-L99 HydrophobicContact CD2-CD1 3.92Å; W95-L99 HydrophobicContact CD2-CG 4.33Å; W95-L99 HydrophobicContact CG-CD1 4.39Å; W95-L99 HydrophobicContact CH2-CD1 4.15Å; W95-L99 HydrophobicContact CZ2-CD1 3.51Å; W95-L99 HydrophobicContact CZ2-CG 4.42Å; W95-L99 VanDerWaalsContact O-CB 3.27Å; W95-L99 WeakPolarHBondContact O-CB 3.26Å; W95-L99 VanDerWaalsContact O-CG 3.26Å; W95-L99 WeakPolarHBondContact O-CG 3.41Å; W95-L99 PolarHBondContact O-N 3.27Å; L99-I101 VanDerWaalsContact C-N 3.27Å; L99-I101 PolarHBondContact O-N 3.39Å; L99-F102 HydrophobicContact CD2-CD1 4.38Å; L99-F102 PolarHBondContact O-N 3.21Å; L99-L103 HydrophobicContact CB-CD1 4.27Å; L99-L103 HydrophobicContact CB-CG 4.47Å; L99-L103 HydrophobicContact CD2-CD1 4.1Å; L99-L103 HydrophobicContact CD2-CD2 4.46Å; L99-L103 HydrophobicContact CD2-CG 4.12Å; L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.37Å; L99-L103 PolarHBondContact O-N 2.87Å; L99-F203 HydrophobicContact CD1-CE1 4.13Å; L99-F203 HydrophobicContact CD1-CZ 3.92Å
100	S	96.9	Very high	96	Very high	5 Å²	5	31.3 Å²	31.3	4%	0.035	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-41.5	178.4	-170.2	0	0	0	0	110.8	H25 F26 I96 E97 G98 R104 G105	H25-S100 WeakPolarHBondContact CB-OG 3.45Å; H25-S100 PolarHBondContact CD2-O 3.27Å; H25-S100 VanDerWaalsContact CD2-O 3.27Å; H25-S100 PolarHBondContact CD2-OG 2.92Å; H25-S100 VanDerWaalsContact CD2-OG 3.32Å; H25-S100 PolarHBondContact N-OG 3.09Å; F26-S100 VanDerWaalsContact CE2-N 3.33Å; I96-S100 WeakPolarHBondContact O-CB 3.26Å; I96-S100 PolarHBondContact O-N 3.18Å; E97-S100 WeakPolarHBondContact O-CB 3.17Å; E97-S100 PolarHBondContact O-N 3.45Å; G98-S100 PolarHBondContact O-N 3.44Å; S100-R104 CarbonylContact O-C 3.13Å; S100-R104 PolarHBondContact O-N 2.86Å; S100-G105 PolarHBondContact O-N 2.66Å
101	I	96.4	Very high	96.1	Very high	46 Å²	46	31.3 Å²	31.3	24%	0.236	16%	0.162	C	C	.	.	H	α-helix	trans	-80.9	-45.4	176.3	-59	171.3	0	0	0	110.7	G98 L99 L103 G105 E109 Y113	G98-I101 PolarHBondContact O-N 3.3Å; G98-I101 VanDerWaalsContact O-N 3.16Å; L99-I101 VanDerWaalsContact C-N 3.27Å; L99-I101 PolarHBondContact O-N 3.39Å; I101-L103 VanDerWaalsContact C-N 3.3Å; I101-L103 PolarHBondContact O-N 3.16Å; I101-G105 VanDerWaalsContact O-CA 3.24Å; I101-G105 WeakPolarHBondContact O-CA 3.49Å; I101-G105 PolarHBondContact O-N 3.25Å; I101-E109 HydrophobicContact CG1-CB 4.32Å; I101-E109 HydrophobicContact CG2-CB 4.01Å; I101-Y113 HydrophobicContact CG2-CD2 4.3Å; I101-Y113 HydrophobicContact CG2-CG 4.17Å
102	F	94.8	Very high	96.2	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-37.5	-173.9	-158.8	-112.5	0	0	0	112.7	L63 F67 M69 V78 F82 G98 L99 Y113 C193 L194 P195	L63-F102 HydrophobicContact CD2-CE1 4.36Å; L63-F102 HydrophobicContact CD2-CZ 4.07Å; F67-F102 HydrophobicContact CD1-CE1 4.18Å; F67-F102 AromaticContact CD2-CE1 3.87Å; F67-F102 HydrophobicContact CD2-CE1 3.87Å; F67-F102 HydrophobicContact CE1-CE1 4.32Å; F67-F102 HydrophobicContact CE2-CD1 4.47Å; F67-F102 HydrophobicContact CE2-CE1 4.02Å; F67-F102 AromaticContact CG-CE1 3.95Å; F67-F102 HydrophobicContact CG-CE1 3.95Å; F67-F102 HydrophobicContact CZ-CD1 4.37Å; F67-F102 HydrophobicContact CZ-CE1 4.24Å; M69-F102 HydrophobicContact SD-CZ 4.04Å; V78-F102 HydrophobicContact CG1-CE2 3.89Å; V78-F102 HydrophobicContact CG1-CZ 4.25Å; V78-F102 HydrophobicContact CG2-CE2 4.48Å; F82-F102 HydrophobicContact CE2-CB 4.32Å; F82-F102 HydrophobicContact CE2-CD2 4Å; F82-F102 HydrophobicContact CE2-CG 4.21Å; F82-F102 HydrophobicContact CZ-CB 3.9Å; F82-F102 HydrophobicContact CZ-CD1 4.44Å; F82-F102 HydrophobicContact CZ-CD2 4.26Å; F82-F102 AromaticContact CZ-CG 3.99Å; F82-F102 HydrophobicContact CZ-CG 3.99Å; G98-F102 VanDerWaalsContact O-CB 3.24Å; G98-F102 WeakPolarHBondContact O-CB 3.48Å; G98-F102 PolarHBondContact O-N 3.28Å; L99-F102 HydrophobicContact CD2-CD1 4.38Å; L99-F102 PolarHBondContact O-N 3.21Å; F102-Y113 HydrophobicContact CD2-CE1 4.15Å; F102-Y113 AromaticContact CD2-CZ 3.83Å; F102-Y113 WeakPolarHBondContact CD2-OH 3.48Å; F102-Y113 HydrophobicContact CE2-CE1 4.41Å; F102-Y113 WeakPolarHBondContact CE2-OH 3.48Å; F102-C193 VanDerWaalsContact CE2-O 3.28Å; F102-C193 WeakPolarHBondContact CE2-O 3.36Å; F102-L194 HydrophobicContact CD2-CD2 4.21Å; F102-P195 HydrophobicContact CD1-CB 4.47Å; F102-P195 HydrophobicContact CD1-CG 3.59Å; F102-P195 HydrophobicContact CE1-CB 3.96Å; F102-P195 HydrophobicContact CE1-CG 3.53Å; F102-P195 HydrophobicContact CG-CG 4.18Å; F102-P195 HydrophobicContact CZ-CB 4.4Å; F102-P195 HydrophobicContact CZ-CG 4.07Å; F102-P195 WeakPolarHBondContact O-CD 3.43Å; F102-P195 VanDerWaalsContact O-CG 3.3Å; F102-P195 WeakPolarHBondContact O-CG 3.4Å
103	L	95.9	Very high	96.4	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-95.9	-42	-179.6	-55.4	-179	0	0	0	112.8	F26 F67 L99 I101 P195 I200 F203	F26-L103 HydrophobicContact CZ-CD1 4.17Å; F67-L103 HydrophobicContact CE1-CD2 3.73Å; F67-L103 HydrophobicContact CZ-CD2 4.04Å; L99-L103 HydrophobicContact CB-CD1 4.27Å; L99-L103 HydrophobicContact CB-CG 4.47Å; L99-L103 HydrophobicContact CD2-CD1 4.1Å; L99-L103 HydrophobicContact CD2-CD2 4.46Å; L99-L103 HydrophobicContact CD2-CG 4.12Å; L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.37Å; L99-L103 PolarHBondContact O-N 2.87Å; I101-L103 VanDerWaalsContact C-N 3.3Å; I101-L103 PolarHBondContact O-N 3.16Å; L103-P195 HydrophobicContact CD2-CG 4.38Å; L103-I200 HydrophobicContact CB-CG2 4.39Å; L103-I200 HydrophobicContact CD2-CG1 4.1Å; L103-I200 HydrophobicContact CD2-CG2 4.34Å; L103-F203 HydrophobicContact CD1-CD1 3.49Å; L103-F203 VanDerWaalsContact CD1-CD1 3.49Å; L103-F203 HydrophobicContact CD1-CE1 3.51Å; L103-F203 HydrophobicContact CD2-CD1 4.27Å
104	R	97	Very high	96.5	Very high	71 Å²	71	28.4 Å²	28.4	27%	0.268	14%	0.142	S	C	.	.	H	α-helix	trans	-128.8	9.2	-166.6	-63	-178.3	-177.7	179	0	114.5	H25 F26 E30 S100 E204	H25-R104 HydrophobicContact CB-CB 3.6Å; H25-R104 HydrophobicContact CB-CG 4.47Å; H25-R104 WeakPolarHBondContact O-CD 3.5Å; H25-R104 PolarHBondContact O-NH1 2.89Å; F26-R104 HydrophobicContact CE1-CG 4.49Å; E30-R104 IonicContact OE1-CZ 3.83Å; E30-R104 IonicContact OE1-NH1 3.76Å; E30-R104 PolarHBondContact OE1-NH1 2.95Å; E30-R104 IonicContact OE1-NH2 2.79Å; E30-R104 PolarHBondContact OE1-NH2 2.81Å; E30-R104 IonicContact OE2-NH1 3.64Å; E30-R104 PolarHBondContact OE2-NH1 2.71Å; E30-R104 VanDerWaalsContact OE2-NH1 3.08Å; S100-R104 CarbonylContact O-C 3.13Å; S100-R104 PolarHBondContact O-N 2.86Å; R104-E204 IonicContact CZ-OE1 2.68Å; R104-E204 VanDerWaalsContact CZ-OE1 3.31Å; R104-E204 IonicContact NE-OE1 3.16Å; R104-E204 PolarHBondContact NE-OE1 3.01Å; R104-E204 IonicContact NH2-OE1 3.53Å; R104-E204 PolarHBondContact NH2-OE1 3.09Å; R104-E204 VanDerWaalsContact NH2-OE1 3.09Å; R104-E204 IonicContact NH2-OE2 2.73Å
105	G	96.7	Very high	96.5	Very high	9 Å²	9	28.1 Å²	28.1	9%	0.093	14%	0.141	C	C	.	.			trans	-57.5	140	-178.1	0	0	0	0	0	112.5	S100 I101 K110	S100-G105 PolarHBondContact O-N 2.66Å; I101-G105 VanDerWaalsContact O-CA 3.24Å; I101-G105 WeakPolarHBondContact O-CA 3.49Å; I101-G105 PolarHBondContact O-N 3.25Å; G105-K110 VanDerWaalsContact O-CE 3.23Å; G105-K110 WeakPolarHBondContact O-CE 3.42Å
106	T	96.8	Very high	96.5	Very high	66 Å²	66	30.2 Å²	30.2	41%	0.405	15%	0.153	S	C	.	.			trans	-63.2	165.1	167.3	58.3	0	0	0	0	110.6	D108 E109 K110	T106-D108 PolarHBondContact O-N 2.77Å; T106-E109 PolarHBondContact N-OE2 3.35Å; T106-E109 PolarHBondContact O-N 3.06Å; T106-E109 WeakPolarHBondContact OG1-CG 3.33Å; T106-E109 PolarHBondContact OG1-N 3.02Å; T106-E109 PolarHBondContact OG1-OE2 3.1Å; T106-K110 WeakPolarHBondContact O-CB 3.39Å; T106-K110 WeakPolarHBondContact O-CG 3.31Å; T106-K110 PolarHBondContact O-N 3.03Å
107	L	95.7	Very high	96.5	Very high	62 Å²	62	30.2 Å²	30.2	33%	0.325	15%	0.153	S	C	.	.	H	α-helix	trans	-55	-43.6	175.9	179.4	58.9	0	0	0	111.5	E109 K110 I111 V180 N184 L187	L107-E109 PolarHBondContact O-N 3.06Å; L107-K110 PolarHBondContact O-N 3.2Å; L107-I111 HydrophobicContact CD1-CD1 4.05Å; L107-I111 HydrophobicContact CD1-CG1 4.05Å; L107-I111 HydrophobicContact CD2-CD1 4.47Å; L107-I111 HydrophobicContact CG-CD1 3.81Å; L107-I111 HydrophobicContact CG-CG1 4.28Å; L107-I111 WeakPolarHBondContact O-CB 3.34Å; L107-I111 VanDerWaalsContact O-CG1 3.26Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 2.69Å; L107-V180 HydrophobicContact CD1-CG1 4.42Å; L107-N184 VanDerWaalsContact CD1-OD1 3.26Å; L107-N184 WeakPolarHBondContact CD1-OD1 3.24Å; L107-L187 HydrophobicContact CD1-CD2 4.44Å
108	D	97	Very high	96.5	Very high	79 Å²	79	27.7 Å²	27.7	42%	0.422	14%	0.141	S	C	.	.	H	α-helix	trans	-61.9	-42.6	-179.9	-60.3	-13.2	0	0	0	112.2	T106 K112 R181	T106-D108 PolarHBondContact O-N 2.77Å; D108-K112 PolarHBondContact O-N 3.11Å; D108-K112 VanDerWaalsContact O-N 3.13Å; D108-R181 VanDerWaalsContact CG-NH2 3.33Å; D108-R181 IonicContact OD1-CZ 2.78Å; D108-R181 IonicContact OD1-NH1 2.88Å; D108-R181 PolarHBondContact OD1-NH1 2.87Å; D108-R181 IonicContact OD1-NH2 2.61Å; D108-R181 PolarHBondContact OD1-NH2 2.75Å; D108-R181 IonicContact OD2-NH2 3.52Å
109	E	97.4	Very high	96.5	Very high	28 Å²	28	27.8 Å²	27.8	13%	0.131	14%	0.139	C	C	.	.	H	α-helix	trans	-67.1	-38.7	176.5	-71.4	164.6	146.3	0	0	111.7	K24 H25 I101 T106 L107 K112 Y113	K24-E109 WeakPolarHBondContact CD-OE1 3.48Å; K24-E109 WeakPolarHBondContact CE-OE1 3.25Å; K24-E109 IonicContact NZ-OE1 3.09Å; K24-E109 PolarHBondContact NZ-OE1 3.43Å; H25-E109 IonicContact CD2-OE2 2.68Å; H25-E109 IonicContact CE1-OE2 2.75Å; H25-E109 IonicContact NE2-OE1 2.94Å; H25-E109 IonicContact NE2-OE2 3.45Å; H25-E109 PolarHBondContact NE2-OE2 3.23Å; I101-E109 HydrophobicContact CG1-CB 4.32Å; I101-E109 HydrophobicContact CG2-CB 4.01Å; T106-E109 PolarHBondContact N-OE2 3.35Å; T106-E109 PolarHBondContact O-N 3.06Å; T106-E109 WeakPolarHBondContact OG1-CG 3.33Å; T106-E109 PolarHBondContact OG1-N 3.02Å; T106-E109 PolarHBondContact OG1-OE2 3.1Å; L107-E109 PolarHBondContact O-N 3.06Å; E109-K112 PolarHBondContact O-N 3.04Å; E109-Y113 WeakPolarHBondContact O-CB 3.38Å; E109-Y113 PolarHBondContact O-N 2.76Å
110	K	97.4	Very high	96.2	Very high	51 Å²	51	29.8 Å²	29.8	22%	0.222	15%	0.149	C	C	.	.	H	α-helix	trans	-68	-41.9	176.6	-74.4	178.7	172	-175.4	0	112	G105 T106 L107 K112 Y113 C114 L187 L194	G105-K110 VanDerWaalsContact O-CE 3.23Å; G105-K110 WeakPolarHBondContact O-CE 3.42Å; T106-K110 WeakPolarHBondContact O-CB 3.39Å; T106-K110 WeakPolarHBondContact O-CG 3.31Å; T106-K110 PolarHBondContact O-N 3.03Å; L107-K110 PolarHBondContact O-N 3.2Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 2.86Å; K110-Y113 PolarHBondContact O-N 2.66Å; K110-C114 WeakPolarHBondContact O-CB 3.41Å; K110-C114 PolarHBondContact O-N 3.25Å; K110-C114 PolarHBondContact O-SG 3Å; K110-L187 HydrophobicContact CB-CD1 4.44Å; K110-L187 HydrophobicContact CB-CD2 4.17Å; K110-L194 HydrophobicContact CB-CD1 4.1Å; K110-L194 HydrophobicContact CD-CD1 3.88Å; K110-L194 HydrophobicContact CG-CD1 3.96Å
111	I	97.9	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.5	-50.4	174.5	-72.9	169.1	0	0	0	109.8	L107 Y113 F115 Y173 F176 E177 V180 R181 L187	L107-I111 HydrophobicContact CD1-CD1 4.05Å; L107-I111 HydrophobicContact CD1-CG1 4.05Å; L107-I111 HydrophobicContact CD2-CD1 4.47Å; L107-I111 HydrophobicContact CG-CD1 3.81Å; L107-I111 HydrophobicContact CG-CG1 4.28Å; L107-I111 WeakPolarHBondContact O-CB 3.34Å; L107-I111 VanDerWaalsContact O-CG1 3.26Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 2.69Å; I111-Y113 PolarHBondContact O-N 2.87Å; I111-F115 WeakPolarHBondContact O-CB 3.17Å; I111-F115 PolarHBondContact O-N 3.49Å; I111-Y173 HydrophobicContact CG2-CE2 4Å; I111-F176 HydrophobicContact CG2-CD1 3.99Å; I111-F176 HydrophobicContact CG2-CE1 4.17Å; I111-F176 WeakPolarHBondContact O-CE1 3.47Å; I111-E177 HydrophobicContact CD1-CG 4.49Å; I111-E177 HydrophobicContact CG2-CB 3.94Å; I111-E177 HydrophobicContact CG2-CG 4.18Å; I111-V180 HydrophobicContact CD1-CB 4.22Å; I111-V180 HydrophobicContact CD1-CG1 3.92Å; I111-V180 HydrophobicContact CG1-CB 4.16Å; I111-V180 HydrophobicContact CG1-CG1 3.7Å; I111-R181 HydrophobicContact CD1-CG 4.18Å; I111-L187 HydrophobicContact CB-CD1 4.48Å; I111-L187 HydrophobicContact CG1-CD1 3.96Å
112	K	97.1	Very high	95.8	Very high	86 Å²	86	34.9 Å²	34.9	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-63.7	-42.9	178.8	-178.9	55	-178.3	154.6	0	112.2	D108 E109 K110 F115 D116 Y173	D108-K112 PolarHBondContact O-N 3.11Å; D108-K112 VanDerWaalsContact O-N 3.13Å; E109-K112 PolarHBondContact O-N 3.04Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 2.86Å; K112-F115 PolarHBondContact O-N 3Å; K112-D116 VanDerWaalsContact CE-OD1 3.29Å; K112-D116 WeakPolarHBondContact CE-OD1 3.5Å; K112-D116 WeakPolarHBondContact CE-OD2 3.29Å; K112-D116 IonicContact NZ-OD1 3.81Å; K112-D116 PolarHBondContact NZ-OD1 2.97Å; K112-D116 IonicContact NZ-OD2 2.73Å; K112-D116 VanDerWaalsContact O-CG 3.3Å; K112-D116 PolarHBondContact O-N 3.48Å; K112-Y173 HydrophobicContact CB-CE2 4.06Å; K112-Y173 HydrophobicContact CD-CD2 4.06Å; K112-Y173 HydrophobicContact CD-CE2 3.68Å; K112-Y173 HydrophobicContact CG-CE2 4.46Å
113	Y	96.9	Very high	95.8	Very high	10 Å²	10	38.7 Å²	38.7	4%	0.039	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-50	177.7	175.9	-89.5	0	0	0	112.6	V78 A81 F82 I101 F102 E109 K110 I111 F115 D116 V117 L194	V78-Y113 VanDerWaalsContact CG1-OH 3.31Å; V78-Y113 WeakPolarHBondContact CG1-OH 3.34Å; A81-Y113 HydrophobicContact CB-CD2 4.33Å; A81-Y113 HydrophobicContact CB-CE2 3.69Å; F82-Y113 HydrophobicContact CD2-CE2 4.4Å; F82-Y113 HydrophobicContact CE2-CE2 4.17Å; I101-Y113 HydrophobicContact CG2-CD2 4.3Å; I101-Y113 HydrophobicContact CG2-CG 4.17Å; F102-Y113 HydrophobicContact CD2-CE1 4.15Å; F102-Y113 AromaticContact CD2-CZ 3.83Å; F102-Y113 WeakPolarHBondContact CD2-OH 3.48Å; F102-Y113 HydrophobicContact CE2-CE1 4.41Å; F102-Y113 WeakPolarHBondContact CE2-OH 3.48Å; E109-Y113 WeakPolarHBondContact O-CB 3.38Å; E109-Y113 PolarHBondContact O-N 2.76Å; K110-Y113 PolarHBondContact O-N 2.66Å; I111-Y113 PolarHBondContact O-N 2.87Å; Y113-F115 VanDerWaalsContact C-N 3.32Å; Y113-F115 PolarHBondContact O-N 3.3Å; Y113-D116 PolarHBondContact O-N 2.99Å; Y113-V117 HydrophobicContact CD1-CG2 4.28Å; Y113-V117 HydrophobicContact CE1-CG2 3.84Å; Y113-V117 WeakPolarHBondContact O-CG2 3.29Å; Y113-V117 PolarHBondContact O-N 3.04Å; Y113-L194 HydrophobicContact CD1-CD2 3.72Å; Y113-L194 HydrophobicContact CE1-CD2 3.73Å
114	C	97.1	Very high	95.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-42	178.5	-66.9	0	0	0	0	111	K110 D116 V117 Y118 F176 L187 C193	K110-C114 WeakPolarHBondContact O-CB 3.41Å; K110-C114 PolarHBondContact O-N 3.25Å; K110-C114 PolarHBondContact O-SG 3Å; C114-D116 PolarHBondContact O-N 3.46Å; C114-V117 WeakPolarHBondContact O-CB 3.34Å; C114-V117 PolarHBondContact O-N 3.36Å; C114-Y118 HydrophobicContact CB-CD2 4.38Å; C114-Y118 HydrophobicContact CB-CE2 3.91Å; C114-Y118 WeakPolarHBondContact O-CB 3.49Å; C114-Y118 WeakPolarHBondContact O-CD2 3.48Å; C114-Y118 PolarHBondContact O-N 3.28Å; C114-F176 HydrophobicContact CB-CE1 4.23Å; C114-F176 HydrophobicContact CB-CZ 4.16Å; C114-L187 HydrophobicContact CB-CD1 4Å; C114-C193 PolarHBondContact SG-SG 2.82Å
115	F	97	Very high	95.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-57	-47.9	174.7	-173.8	-89.3	0	0	0	112	I111 K112 Y113 V117 Y118 D119 G124 I126 Y173 F176	I111-F115 WeakPolarHBondContact O-CB 3.17Å; I111-F115 PolarHBondContact O-N 3.49Å; K112-F115 PolarHBondContact O-N 3Å; Y113-F115 VanDerWaalsContact C-N 3.32Å; Y113-F115 PolarHBondContact O-N 3.3Å; F115-V117 VanDerWaalsContact C-N 3.27Å; F115-V117 PolarHBondContact O-N 2.94Å; F115-Y118 PolarHBondContact O-N 3.3Å; F115-D119 HydrophobicContact CD1-CB 4.48Å; F115-D119 HydrophobicContact CE1-CB 4.12Å; F115-D119 WeakPolarHBondContact O-CB 3.36Å; F115-D119 PolarHBondContact O-N 3.44Å; F115-G124 WeakPolarHBondContact CZ-O 3.26Å; F115-I126 HydrophobicContact CD2-CD1 3.71Å; F115-I126 HydrophobicContact CD2-CG1 4.19Å; F115-I126 HydrophobicContact CE2-CD1 3.77Å; F115-I126 HydrophobicContact CE2-CG1 3.82Å; F115-I126 HydrophobicContact CZ-CG1 4.29Å; F115-Y173 HydrophobicContact CB-CD2 4.06Å; F115-Y173 HydrophobicContact CB-CE2 4.48Å; F115-Y173 HydrophobicContact CD1-CD2 4.07Å; F115-Y173 HydrophobicContact CD2-CD2 4.21Å; F115-Y173 AromaticContact CG-CD2 3.82Å; F115-Y173 HydrophobicContact CG-CD2 3.82Å; F115-F176 HydrophobicContact CB-CD1 3.96Å; F115-F176 HydrophobicContact CB-CE1 4.2Å; F115-F176 HydrophobicContact CD2-CB 3.7Å; F115-F176 AromaticContact CD2-CD1 3.95Å; F115-F176 HydrophobicContact CD2-CD1 3.95Å; F115-F176 AromaticContact CD2-CG 3.84Å; F115-F176 HydrophobicContact CD2-CG 3.84Å; F115-F176 HydrophobicContact CE2-CB 4.13Å; F115-F176 HydrophobicContact CG-CD1 4.45Å
116	D	95	Very high	96	Very high	47 Å²	47	39.3 Å²	39.3	25%	0.251	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-31.2	179.3	-67.4	-15.4	0	0	0	112.7	R77 K112 Y113 C114 Y118	R77-D116 PolarHBondContact NH2-O 2.95Å; K112-D116 VanDerWaalsContact CE-OD1 3.29Å; K112-D116 WeakPolarHBondContact CE-OD1 3.5Å; K112-D116 WeakPolarHBondContact CE-OD2 3.29Å; K112-D116 IonicContact NZ-OD1 3.81Å; K112-D116 PolarHBondContact NZ-OD1 2.97Å; K112-D116 IonicContact NZ-OD2 2.73Å; K112-D116 VanDerWaalsContact O-CG 3.3Å; K112-D116 PolarHBondContact O-N 3.48Å; Y113-D116 PolarHBondContact O-N 2.99Å; C114-D116 PolarHBondContact O-N 3.46Å; D116-Y118 VanDerWaalsContact C-N 3.35Å
117	V	95.4	Very high	96	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-40.8	172.6	168	0	0	0	0	110.5	R77 V78 A81 Y113 C114 F115 C193	R77-V117 HydrophobicContact CB-CB 4.43Å; R77-V117 HydrophobicContact CB-CG1 3.62Å; R77-V117 WeakPolarHBondContact CB-O 3.4Å; R77-V117 WeakPolarHBondContact CG-O 3.22Å; R77-V117 PolarHBondContact NE-O 2.95Å; V78-V117 HydrophobicContact CG2-CG2 4.39Å; A81-V117 HydrophobicContact CB-CG2 3.88Å; Y113-V117 HydrophobicContact CD1-CG2 4.28Å; Y113-V117 HydrophobicContact CE1-CG2 3.84Å; Y113-V117 WeakPolarHBondContact O-CG2 3.29Å; Y113-V117 PolarHBondContact O-N 3.04Å; C114-V117 WeakPolarHBondContact O-CB 3.34Å; C114-V117 PolarHBondContact O-N 3.36Å; F115-V117 VanDerWaalsContact C-N 3.27Å; F115-V117 PolarHBondContact O-N 2.94Å; V117-C193 HydrophobicContact CG1-CB 3.75Å
118	Y	95.4	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-84.2	-29.7	-173.5	-62.1	-30.2	0	0	0	115.1	I74 C114 F115 D116 L120 I126 M134 F176 E188 F190 G191 C193	I74-Y118 HydrophobicContact CD1-CE1 4.32Å; C114-Y118 HydrophobicContact CB-CD2 4.38Å; C114-Y118 HydrophobicContact CB-CE2 3.91Å; C114-Y118 WeakPolarHBondContact O-CB 3.49Å; C114-Y118 WeakPolarHBondContact O-CD2 3.48Å; C114-Y118 PolarHBondContact O-N 3.28Å; F115-Y118 PolarHBondContact O-N 3.3Å; D116-Y118 VanDerWaalsContact C-N 3.35Å; Y118-L120 WeakPolarHBondContact O-CD2 3.19Å; Y118-L120 PolarHBondContact O-N 3.01Å; Y118-I126 HydrophobicContact CD2-CD1 4.35Å; Y118-I126 HydrophobicContact CG-CD1 4.48Å; Y118-M134 HydrophobicContact CD1-CE 4.28Å; Y118-M134 HydrophobicContact CD1-SD 3.41Å; Y118-M134 WeakPolarHBondContact CD1-SD 3.34Å; Y118-M134 HydrophobicContact CE1-SD 4.29Å; Y118-M134 HydrophobicContact CG-CE 4.31Å; Y118-M134 HydrophobicContact CG-SD 3.99Å; Y118-F176 HydrophobicContact CD2-CE2 4.16Å; Y118-F176 HydrophobicContact CD2-CZ 4.12Å; Y118-F176 HydrophobicContact CE2-CE2 4.28Å; Y118-F176 HydrophobicContact CE2-CZ 4.05Å; Y118-E188 WeakPolarHBondContact OH-CA 3.46Å; Y118-F190 HydrophobicContact CD1-CB 4.04Å; Y118-F190 HydrophobicContact CD1-CD2 4.44Å; Y118-F190 AromaticContact CD2-CD2 3.61Å; Y118-F190 HydrophobicContact CD2-CD2 3.61Å; Y118-F190 HydrophobicContact CD2-CE2 4.39Å; Y118-F190 HydrophobicContact CE1-CB 3.92Å; Y118-F190 HydrophobicContact CE2-CB 4.44Å; Y118-F190 AromaticContact CE2-CD2 3.91Å; Y118-F190 HydrophobicContact CE2-CD2 3.91Å; Y118-F190 HydrophobicContact CG-CB 4.34Å; Y118-F190 AromaticContact CG-CD2 3.89Å; Y118-F190 HydrophobicContact CG-CD2 3.89Å; Y118-G191 PolarHBondContact OH-O 2.97Å; Y118-C193 HydrophobicContact CE1-CB 4.47Å; Y118-C193 PolarHBondContact OH-SG 2.7Å
119	D	95.4	Very high	95.9	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.053	22%	0.221	C	C	.	.			trans	-72.7	89.8	171.9	175.6	1.1	0	0	0	109.5	R77 F115 N121 G122 D123 G124	R77-D119 PolarHBondContact NH2-O 3.35Å; F115-D119 HydrophobicContact CD1-CB 4.48Å; F115-D119 HydrophobicContact CE1-CB 4.12Å; F115-D119 WeakPolarHBondContact O-CB 3.36Å; F115-D119 PolarHBondContact O-N 3.44Å; D119-N121 PolarHBondContact O-N 3.42Å; D119-N121 PolarHBondContact OD1-OD1 3.44Å; D119-N121 VanDerWaalsContact OD1-OD1 3.11Å; D119-G122 WeakPolarHBondContact OD1-CA 3.3Å; D119-G122 PolarHBondContact OD1-N 3Å; D119-G122 WeakPolarHBondContact OD2-CA 3.49Å; D119-D123 PolarHBondContact OD1-N 3.44Å; D119-D123 PolarHBondContact OD2-N 3.41Å; D119-G124 VanDerWaalsContact OD2-CA 3.29Å; D119-G124 WeakPolarHBondContact OD2-CA 3.5Å; D119-G124 PolarHBondContact OD2-N 3.4Å
120	L	92.1	Very high	95.8	Very high	43 Å²	43	41 Å²	41	23%	0.225	22%	0.217	C	C	.	.	S	Bend	trans	-70.1	-37.4	-166.8	-52	-175.8	0	0	0	112.1	M73 R77 Y118 E130 M134	M73-L120 HydrophobicContact CE-CD1 3.25Å; M73-L120 HydrophobicContact CE-CD2 3.69Å; M73-L120 HydrophobicContact CE-CG 4.13Å; R77-L120 HydrophobicContact CG-CD2 3.95Å; R77-L120 VanDerWaalsContact CZ-CA 3.49Å; R77-L120 PolarHBondContact NH1-O 3.22Å; Y118-L120 WeakPolarHBondContact O-CD2 3.19Å; Y118-L120 PolarHBondContact O-N 3.01Å; L120-E130 WeakPolarHBondContact CA-OE1 3.14Å; L120-E130 HydrophobicContact CB-CG 3.92Å; L120-E130 VanDerWaalsContact CB-OE1 3.25Å; L120-E130 WeakPolarHBondContact CB-OE1 3.39Å; L120-E130 HydrophobicContact CD1-CB 3.98Å; L120-E130 HydrophobicContact CD1-CG 3.74Å; L120-E130 HydrophobicContact CG-CB 3.97Å; L120-E130 HydrophobicContact CG-CG 3.68Å; L120-E130 PolarHBondContact N-OE1 3.46Å; L120-M134 HydrophobicContact CD2-CG 4.49Å; L120-M134 HydrophobicContact CD2-SD 4.19Å
121	N	91.8	Very high	95.7	Very high	100 Å²	100	38.6 Å²	38.6	54%	0.535	21%	0.206	S	C	.	.	S	Bend	trans	-92.1	-12	-177.6	72.6	10.8	0	0	0	113.5	D119 D123 E130	D119-N121 PolarHBondContact O-N 3.42Å; D119-N121 PolarHBondContact OD1-OD1 3.44Å; D119-N121 VanDerWaalsContact OD1-OD1 3.11Å; N121-D123 PolarHBondContact ND2-OD2 2.74Å; N121-D123 WeakPolarHBondContact OD1-CB 3.48Å; N121-D123 PolarHBondContact OD1-N 3.05Å; N121-D123 PolarHBondContact OD1-OD1 2.97Å; N121-D123 PolarHBondContact OD1-OD2 3.46Å; N121-E130 PolarHBondContact N-OE1 3.33Å
122	G	92.3	Very high	95.4	Very high	58 Å²	58	40.6 Å²	40.6	60%	0.598	22%	0.215	S	C	*	.			trans	75.4	23.5	179	0	0	0	0	0	113.9	D119 G124	D119-G122 WeakPolarHBondContact OD1-CA 3.3Å; D119-G122 PolarHBondContact OD1-N 3Å; D119-G122 WeakPolarHBondContact OD2-CA 3.49Å; G122-G124 VanDerWaalsContact C-N 3.26Å
123	D	95.4	Very high	95.1	Very high	81 Å²	81	41.8 Å²	41.8	43%	0.433	22%	0.222	S	C	.	.	S	Bend	trans	-83.6	-2.2	-177.8	75.9	16.3	0	0	0	113.7	D119 N121 Y125	D119-D123 PolarHBondContact OD1-N 3.44Å; D119-D123 PolarHBondContact OD2-N 3.41Å; N121-D123 PolarHBondContact ND2-OD2 2.74Å; N121-D123 WeakPolarHBondContact OD1-CB 3.48Å; N121-D123 PolarHBondContact OD1-N 3.05Å; N121-D123 PolarHBondContact OD1-OD1 2.97Å; N121-D123 PolarHBondContact OD1-OD2 3.46Å; D123-Y125 WeakPolarHBondContact O-CD2 3.4Å; D123-Y125 WeakPolarHBondContact OD1-CA 3.23Å; D123-Y125 WeakPolarHBondContact OD1-CB 3.26Å; D123-Y125 PolarHBondContact OD1-N 3.41Å
124	G	96.4	Very high	94.7	Very high	30 Å²	30	41.3 Å²	41.3	31%	0.309	22%	0.22	S	C	.	.	S	Bend	trans	88.3	9.8	-179	0	0	0	0	0	113.8	F115 D119 G122	F115-G124 WeakPolarHBondContact CZ-O 3.26Å; D119-G124 VanDerWaalsContact OD2-CA 3.29Å; D119-G124 WeakPolarHBondContact OD2-CA 3.5Å; D119-G124 PolarHBondContact OD2-N 3.4Å; G122-G124 VanDerWaalsContact C-N 3.26Å
125	Y	97.8	Very high	94.3	Very high	73 Å²	73	41.9 Å²	41.9	29%	0.286	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.2	177.1	-57.4	-95.3	0	0	0	111.2	D123 R170 L171	D123-Y125 WeakPolarHBondContact O-CD2 3.4Å; D123-Y125 WeakPolarHBondContact OD1-CA 3.23Å; D123-Y125 WeakPolarHBondContact OD1-CB 3.26Å; D123-Y125 PolarHBondContact OD1-N 3.41Å; Y125-R170 HydrophobicContact CD1-CG 3.85Å; Y125-R170 VanDerWaalsContact CE1-NH2 3.34Å; Y125-R170 HydrophobicContact CG-CG 4.33Å; Y125-L171 CarbonylContact C-O 3.57Å; Y125-L171 VanDerWaalsContact CA-O 3.26Å; Y125-L171 WeakPolarHBondContact CA-O 3.38Å
126	I	97.8	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	106.2	166.1	-53.5	165.9	0	0	0	106.9	F115 Y118 E130 M131 M134 R170 L171 F176 F190	F115-I126 HydrophobicContact CD2-CD1 3.71Å; F115-I126 HydrophobicContact CD2-CG1 4.19Å; F115-I126 HydrophobicContact CE2-CD1 3.77Å; F115-I126 HydrophobicContact CE2-CG1 3.82Å; F115-I126 HydrophobicContact CZ-CG1 4.29Å; Y118-I126 HydrophobicContact CD2-CD1 4.35Å; Y118-I126 HydrophobicContact CG-CD1 4.48Å; I126-E130 HydrophobicContact CG2-CB 4.35Å; I126-M131 HydrophobicContact CB-CE 4.47Å; I126-M131 HydrophobicContact CG2-CE 4.16Å; I126-M131 HydrophobicContact CG2-CG 3.75Å; I126-M131 WeakPolarHBondContact O-CE 3.43Å; I126-M134 HydrophobicContact CG2-CE 3.94Å; I126-R170 WeakPolarHBondContact O-CA 3.28Å; I126-L171 HydrophobicContact CB-CB 4.23Å; I126-L171 PolarHBondContact N-O 2.94Å; I126-L171 PolarHBondContact O-N 3.22Å; I126-F176 HydrophobicContact CD1-CD2 4.23Å; I126-F190 HydrophobicContact CD1-CE2 4.11Å; I126-F190 HydrophobicContact CG2-CE2 4.34Å
127	S	97.4	Very high	92.8	Very high	22 Å²	22	45.8 Å²	45.8	15%	0.154	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	162.1	179	63.7	0	0	0	0	112.4	E129 E130 M131	S127-E129 PolarHBondContact O-N 3.23Å; S127-E130 WeakPolarHBondContact CB-OE2 3.47Å; S127-E130 PolarHBondContact N-OE2 3.07Å; S127-E130 PolarHBondContact O-N 2.94Å; S127-E130 VanDerWaalsContact O-N 3.16Å; S127-E130 WeakPolarHBondContact OG-CG 3.32Å; S127-E130 PolarHBondContact OG-N 3.48Å; S127-E130 PolarHBondContact OG-OE2 3.32Å; S127-M131 WeakPolarHBondContact O-CG 3.23Å; S127-M131 PolarHBondContact O-N 3.41Å
128	R	96.3	Very high	91.6	Very high	106 Å²	106	48.1 Å²	48.1	40%	0.4	26%	0.257	S	S	.	.	H	α-helix	trans	-56.6	-39.9	174.9	-85.9	178.5	-85.2	166.9	-0.8	112.5	E130 M131 F132 V156 L160 S169	R128-E130 VanDerWaalsContact C-N 3.31Å; R128-E130 PolarHBondContact O-N 2.9Å; R128-M131 PolarHBondContact O-N 3.26Å; R128-F132 WeakPolarHBondContact O-CB 3.22Å; R128-F132 PolarHBondContact O-N 3.05Å; R128-V156 HydrophobicContact CB-CG1 4.23Å; R128-V156 HydrophobicContact CG-CG1 3.77Å; R128-L160 HydrophobicContact CG-CD1 3.58Å; R128-S169 PolarHBondContact NE-O 3.1Å; R128-S169 VanDerWaalsContact NH2-CB 3.26Å
129	E	94.8	Very high	90.3	Very high	131 Å²	131	52.2 Å²	52.2	61%	0.612	28%	0.279	S	S	*	.	H	α-helix	trans	-64	-38.6	179.8	-67.6	73.7	-164.8	0	0	111.6	S127 H133	S127-E129 PolarHBondContact O-N 3.23Å; E129-H133 PolarHBondContact O-N 2.97Å; E129-H133 PolarHBondContact O-ND1 2.8Å
130	E	95.1	Very high	88.6	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.056	30%	0.299	C	S	.	.	H	α-helix	trans	-70.3	-45.9	176.5	-68.3	167.5	137.3	0	0	111.2	L120 N121 I126 S127 R128 F132 H133 M134	L120-E130 WeakPolarHBondContact CA-OE1 3.14Å; L120-E130 HydrophobicContact CB-CG 3.92Å; L120-E130 VanDerWaalsContact CB-OE1 3.25Å; L120-E130 WeakPolarHBondContact CB-OE1 3.39Å; L120-E130 HydrophobicContact CD1-CB 3.98Å; L120-E130 HydrophobicContact CD1-CG 3.74Å; L120-E130 HydrophobicContact CG-CB 3.97Å; L120-E130 HydrophobicContact CG-CG 3.68Å; L120-E130 PolarHBondContact N-OE1 3.46Å; N121-E130 PolarHBondContact N-OE1 3.33Å; I126-E130 HydrophobicContact CG2-CB 4.35Å; S127-E130 WeakPolarHBondContact CB-OE2 3.47Å; S127-E130 PolarHBondContact N-OE2 3.07Å; S127-E130 PolarHBondContact O-N 2.94Å; S127-E130 VanDerWaalsContact O-N 3.16Å; S127-E130 WeakPolarHBondContact OG-CG 3.32Å; S127-E130 PolarHBondContact OG-N 3.48Å; S127-E130 PolarHBondContact OG-OE2 3.32Å; R128-E130 VanDerWaalsContact C-N 3.31Å; R128-E130 PolarHBondContact O-N 2.9Å; E130-F132 VanDerWaalsContact C-N 3.3Å; E130-F132 PolarHBondContact O-N 3.45Å; E130-H133 PolarHBondContact O-N 2.91Å; E130-M134 HydrophobicContact CB-CE 4.26Å; E130-M134 VanDerWaalsContact O-CE 3.31Å; E130-M134 WeakPolarHBondContact O-CE 3.39Å; E130-M134 WeakPolarHBondContact O-CG 3.43Å; E130-M134 PolarHBondContact O-N 3.21Å
131	M	94.6	Very high	86.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-55.1	-48.5	173.5	-62	-178.9	-157.2	0	0	111.1	I126 S127 R128 H133 M134 L135 V156 T159 L160 L171 F190	I126-M131 HydrophobicContact CB-CE 4.47Å; I126-M131 HydrophobicContact CG2-CE 4.16Å; I126-M131 HydrophobicContact CG2-CG 3.75Å; I126-M131 WeakPolarHBondContact O-CE 3.43Å; S127-M131 WeakPolarHBondContact O-CG 3.23Å; S127-M131 PolarHBondContact O-N 3.41Å; R128-M131 PolarHBondContact O-N 3.26Å; M131-H133 PolarHBondContact O-N 3.31Å; M131-M134 PolarHBondContact O-N 3.05Å; M131-L135 WeakPolarHBondContact O-CB 3.34Å; M131-L135 VanDerWaalsContact O-CG 3.27Å; M131-L135 WeakPolarHBondContact O-CG 3.3Å; M131-L135 PolarHBondContact O-N 3.44Å; M131-V156 HydrophobicContact CB-CG1 4.39Å; M131-V156 HydrophobicContact CB-CG2 3.94Å; M131-V156 HydrophobicContact SD-CG1 4.15Å; M131-T159 HydrophobicContact SD-CG2 4.37Å; M131-L160 HydrophobicContact CE-CD2 3.73Å; M131-L160 HydrophobicContact CE-CG 4.34Å; M131-L160 HydrophobicContact SD-CD2 4.37Å; M131-L160 HydrophobicContact SD-CG 4.35Å; M131-L171 HydrophobicContact CE-CB 4.39Å; M131-L171 HydrophobicContact CE-CD1 3.6Å; M131-L171 HydrophobicContact CE-CD2 4.49Å; M131-L171 HydrophobicContact CE-CG 3.49Å; M131-L171 VanDerWaalsContact CE-CG 3.49Å; M131-F190 HydrophobicContact CB-CD1 4.14Å; M131-F190 HydrophobicContact CB-CE1 3.8Å; M131-F190 HydrophobicContact CE-CZ 4.37Å; M131-F190 HydrophobicContact CG-CD1 4.1Å; M131-F190 HydrophobicContact CG-CE1 3.4Å; M131-F190 VanDerWaalsContact CG-CE1 3.4Å; M131-F190 HydrophobicContact CG-CZ 3.72Å; M131-F190 HydrophobicContact SD-CE1 3.81Å; M131-F190 HydrophobicContact SD-CZ 3.94Å
132	F	92.4	Very high	84.8	Confident	42 Å²	42	64.8 Å²	64.8	18%	0.184	33%	0.328	C	S	.	.	H	α-helix	trans	-59.2	-47.3	179.8	-176.1	-86.5	0	0	0	111.3	R128 E130 M134 K136 D149 I152 K153 V156	R128-F132 WeakPolarHBondContact O-CB 3.22Å; R128-F132 PolarHBondContact O-N 3.05Å; E130-F132 VanDerWaalsContact C-N 3.3Å; E130-F132 PolarHBondContact O-N 3.45Å; F132-M134 PolarHBondContact O-N 3.45Å; F132-K136 HydrophobicContact CD1-CD 4.48Å; F132-K136 HydrophobicContact CE1-CD 3.71Å; F132-K136 HydrophobicContact CZ-CD 4.2Å; F132-K136 WeakPolarHBondContact O-CB 3.34Å; F132-K136 PolarHBondContact O-N 3.16Å; F132-D149 HydrophobicContact CE2-CB 4.46Å; F132-D149 HydrophobicContact CZ-CB 4.03Å; F132-I152 HydrophobicContact CB-CG2 4.49Å; F132-I152 HydrophobicContact CD2-CB 4.04Å; F132-I152 HydrophobicContact CD2-CG2 3.42Å; F132-I152 VanDerWaalsContact CD2-CG2 3.42Å; F132-I152 HydrophobicContact CE2-CB 3.77Å; F132-I152 HydrophobicContact CE2-CG2 3.67Å; F132-I152 HydrophobicContact CG-CG2 4Å; F132-I152 HydrophobicContact CZ-CB 4.48Å; F132-I152 HydrophobicContact CZ-CG2 4.43Å; F132-K153 HydrophobicContact CD2-CG 4.32Å; F132-K153 HydrophobicContact CE2-CG 4.01Å; F132-V156 HydrophobicContact CB-CG2 4.2Å
133	H	90.1	Very high	82.8	Confident	111 Å²	111	68.7 Å²	68.7	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-60.2	-44.8	178.6	-100.4	76.6	0	0	0	112.8	M73 E129 E130 M131 N137	M73-H133 HydrophobicContact CE-CB 4.03Å; M73-H133 HydrophobicContact SD-CB 4.4Å; E129-H133 PolarHBondContact O-N 2.97Å; E129-H133 PolarHBondContact O-ND1 2.8Å; E130-H133 PolarHBondContact O-N 2.91Å; M131-H133 PolarHBondContact O-N 3.31Å; H133-N137 PolarHBondContact O-N 2.99Å; H133-N137 PolarHBondContact O-ND2 2.76Å
134	M	89.6	Confident	81	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-48	-178.6	-68.6	-177	-72.1	0	0	111.8	M73 Y118 L120 I126 E130 M131 F132 K136 N137 S138 F190	M73-M134 HydrophobicContact CE-CB 4.41Å; M73-M134 HydrophobicContact CE-CG 3.37Å; M73-M134 HydrophobicContact SD-CG 4.1Å; Y118-M134 HydrophobicContact CD1-CE 4.28Å; Y118-M134 HydrophobicContact CD1-SD 3.41Å; Y118-M134 WeakPolarHBondContact CD1-SD 3.34Å; Y118-M134 HydrophobicContact CE1-SD 4.29Å; Y118-M134 HydrophobicContact CG-CE 4.31Å; Y118-M134 HydrophobicContact CG-SD 3.99Å; L120-M134 HydrophobicContact CD2-CG 4.49Å; L120-M134 HydrophobicContact CD2-SD 4.19Å; I126-M134 HydrophobicContact CG2-CE 3.94Å; E130-M134 HydrophobicContact CB-CE 4.26Å; E130-M134 VanDerWaalsContact O-CE 3.31Å; E130-M134 WeakPolarHBondContact O-CE 3.39Å; E130-M134 WeakPolarHBondContact O-CG 3.43Å; E130-M134 PolarHBondContact O-N 3.21Å; M131-M134 PolarHBondContact O-N 3.05Å; F132-M134 PolarHBondContact O-N 3.45Å; M134-K136 VanDerWaalsContact C-N 3.31Å; M134-K136 PolarHBondContact O-N 2.89Å; M134-N137 PolarHBondContact O-N 3.45Å; M134-S138 PolarHBondContact O-N 2.92Å; M134-F190 HydrophobicContact CB-CB 3.97Å; M134-F190 WeakPolarHBondContact CB-O 3.3Å; M134-F190 HydrophobicContact CE-CB 3.83Å; M134-F190 HydrophobicContact CE-CD1 4.41Å; M134-F190 HydrophobicContact CE-CD2 4.22Å; M134-F190 HydrophobicContact CE-CG 3.9Å; M134-F190 HydrophobicContact SD-CB 3.96Å
135	L	88	Confident	79.1	Confident	12 Å²	12	77.6 Å²	77.6	6%	0.063	38%	0.38	C	S	.	.	H	α-helix	trans	-63	-39.1	179.1	-70.5	172.4	0	0	0	111.9	M131 N137 S138 L139 I152 L155 V156 F190	M131-L135 WeakPolarHBondContact O-CB 3.34Å; M131-L135 VanDerWaalsContact O-CG 3.27Å; M131-L135 WeakPolarHBondContact O-CG 3.3Å; M131-L135 PolarHBondContact O-N 3.44Å; L135-N137 PolarHBondContact O-N 2.86Å; L135-S138 PolarHBondContact O-N 2.79Å; L135-L139 HydrophobicContact CB-CD1 4.43Å; L135-L139 VanDerWaalsContact O-CB 3.29Å; L135-L139 WeakPolarHBondContact O-CB 3.5Å; L135-L139 WeakPolarHBondContact O-CG 3.5Å; L135-L139 PolarHBondContact O-N 3.1Å; L135-I152 HydrophobicContact CB-CD1 4.24Å; L135-I152 HydrophobicContact CB-CG2 3.83Å; L135-L155 HydrophobicContact CD1-CB 4.04Å; L135-V156 HydrophobicContact CD1-CG2 3.92Å; L135-F190 HydrophobicContact CD1-CD1 4.37Å; L135-F190 HydrophobicContact CD2-CD1 4.31Å; L135-F190 HydrophobicContact CG-CD1 4.15Å
136	K	85.1	Confident	77.5	Confident	60 Å²	60	81.8 Å²	81.8	26%	0.261	40%	0.402	S	S	.	.	H	α-helix	trans	-58.9	-46.2	176.2	-175.2	164.8	-179.9	153	0	111.5	F132 M134 I140 D149 I152	F132-K136 HydrophobicContact CD1-CD 4.48Å; F132-K136 HydrophobicContact CE1-CD 3.71Å; F132-K136 HydrophobicContact CZ-CD 4.2Å; F132-K136 WeakPolarHBondContact O-CB 3.34Å; F132-K136 PolarHBondContact O-N 3.16Å; M134-K136 VanDerWaalsContact C-N 3.31Å; M134-K136 PolarHBondContact O-N 2.89Å; K136-I140 HydrophobicContact CD-CD1 4.18Å; K136-I140 HydrophobicContact CG-CD1 3.33Å; K136-I140 HydrophobicContact CG-CG1 4.24Å; K136-I140 WeakPolarHBondContact O-CB 3.28Å; K136-I140 WeakPolarHBondContact O-CD1 3.05Å; K136-I140 WeakPolarHBondContact O-CG1 3.45Å; K136-I140 PolarHBondContact O-N 2.93Å; K136-I140 VanDerWaalsContact O-N 3.1Å; K136-D149 WeakPolarHBondContact CE-OD1 3.15Å; K136-D149 VanDerWaalsContact NZ-CG 3.29Å; K136-D149 IonicContact NZ-OD1 2.72Å; K136-D149 PolarHBondContact NZ-OD1 3.42Å; K136-D149 IonicContact NZ-OD2 3Å; K136-D149 PolarHBondContact NZ-OD2 3.42Å; K136-I152 HydrophobicContact CB-CG1 4.47Å
137	N	75.6	Confident	76.1	Confident	71 Å²	71	86.7 Å²	86.7	38%	0.38	43%	0.428	S	S	.	.	H	α-helix	trans	-70.8	-34.8	179.2	-70.9	-27.5	0	0	0	113	D71 M73 H133 M134 L135	D71-N137 WeakPolarHBondContact OD2-CB 3.41Å; M73-N137 PolarHBondContact SD-ND2 3.37Å; H133-N137 PolarHBondContact O-N 2.99Å; H133-N137 PolarHBondContact O-ND2 2.76Å; M134-N137 PolarHBondContact O-N 3.45Å; L135-N137 PolarHBondContact O-N 2.86Å
138	S	70.7	Confident	74.9	Confident	49 Å²	49	88.6 Å²	88.6	34%	0.343	44%	0.44	S	S	.	.	H	α-helix	trans	-72.2	-29	178.4	-171.2	0	0	0	0	113.5	M134 L135	M134-S138 PolarHBondContact O-N 2.92Å; L135-S138 PolarHBondContact O-N 2.79Å
139	L	67.6	Low	74.3	Confident	85 Å²	85	85.5 Å²	85.5	45%	0.445	43%	0.431	S	S	.	.	H	α-helix	trans	-104.5	-18.7	-171.7	-66.3	169.2	0	0	0	114.3	L135 R141 I152 L155	L135-L139 HydrophobicContact CB-CD1 4.43Å; L135-L139 VanDerWaalsContact O-CB 3.29Å; L135-L139 WeakPolarHBondContact O-CB 3.5Å; L135-L139 WeakPolarHBondContact O-CG 3.5Å; L135-L139 PolarHBondContact O-N 3.1Å; L139-R141 PolarHBondContact O-N 2.84Å; L139-I152 HydrophobicContact CB-CD1 4.01Å; L139-I152 HydrophobicContact CD1-CD1 3.41Å; L139-I152 VanDerWaalsContact CD1-CD1 3.41Å; L139-I152 HydrophobicContact CG-CD1 4.3Å; L139-L155 HydrophobicContact CD1-CD1 3.3Å
140	I	60.7	Low	73.8	Confident	95 Å²	95	83.8 Å²	83.8	49%	0.487	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	72	172.8	-61.2	169.5	0	0	0	109.6	K136	K136-I140 HydrophobicContact CD-CD1 4.18Å; K136-I140 HydrophobicContact CG-CD1 3.33Å; K136-I140 HydrophobicContact CG-CG1 4.24Å; K136-I140 WeakPolarHBondContact O-CB 3.28Å; K136-I140 WeakPolarHBondContact O-CD1 3.05Å; K136-I140 WeakPolarHBondContact O-CG1 3.45Å; K136-I140 PolarHBondContact O-N 2.93Å; K136-I140 VanDerWaalsContact O-N 3.1Å
141	R	53.4	Low	73.4	Confident	166 Å²	166	85 Å²	85	63%	0.626	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	-4.2	161.8	-72.3	-167.9	175.4	-169.5	0.6	113.1	T70 L139	T70-R141 PolarHBondContact O-NH2 2.85Å; T70-R141 PolarHBondContact OG1-NH1 3.38Å; T70-R141 PolarHBondContact OG1-NH2 3.31Å; L139-R141 PolarHBondContact O-N 2.84Å
142	Q	49.6	Very low	73.2	Confident	157 Å²	157	85.3 Å²	85.3	73%	0.734	44%	0.441	S	S	*	.	S	Bend	trans	-127.4	121.4	175	-62.5	-167	10.6	0	0	109.7	T144	Q142-T144 PolarHBondContact O-N 3.16Å; Q142-T144 VanDerWaalsContact O-N 3.1Å
143	P	50.1	Low	73.1	Confident	139 Å²	139	87.8 Å²	87.8	90%	0.903	45%	0.451	S	S	*	.			trans	-69	106.7	170.8	27.1	-30.2	0	0	0	108.5
144	T	57.8	Low	73.2	Confident	88 Å²	88	87.4 Å²	87.4	54%	0.54	45%	0.453	S	S	.	.			trans	-89.6	153.4	168.4	51.5	0	0	0	0	110.1	Q142 E146	Q142-T144 PolarHBondContact O-N 3.16Å; Q142-T144 VanDerWaalsContact O-N 3.1Å; T144-E146 PolarHBondContact O-N 3.37Å
145	E	57.5	Low	73.3	Confident	211 Å²	211	90.6 Å²	90.6	99%	0.986	47%	0.47	S	S	*	.	S	Bend	trans	-75.4	-12.3	178.6	-64.2	-174.8	156.9	0	0	113
146	E	62.7	Low	73.6	Confident	161 Å²	161	90.3 Å²	90.3	75%	0.752	47%	0.468	S	S	*	.	S	Bend	trans	-93.7	154.8	176.5	-64.2	-179.4	171.4	0	0	111.5	T144 P148	T144-E146 PolarHBondContact O-N 3.37Å; E146-P148 WeakPolarHBondContact O-CD 3.1Å
147	D	69.6	Low	74.1	Confident	102 Å²	102	92.7 Å²	92.7	55%	0.545	48%	0.48	S	S	.	.			trans	-58.3	108.3	174.4	-171.1	-15.9	0	0	0	109	D149 E150	D147-D149 PolarHBondContact O-N 3.48Å; D147-D149 WeakPolarHBondContact OD1-CB 3.5Å; D147-D149 PolarHBondContact OD1-N 3.04Å; D147-D149 VanDerWaalsContact OD1-N 3.15Å; D147-E150 HydrophobicContact CB-CG 4.49Å; D147-E150 PolarHBondContact O-N 3.01Å
148	P	71.1	Confident	74.9	Confident	62 Å²	62	94.3 Å²	94.3	40%	0.403	49%	0.488	S	S	.	.	H	α-helix	trans	-60.5	-25.4	-173.8	25.2	-34	0	0	0	111.3	E146 E150 G151 I152	E146-P148 WeakPolarHBondContact O-CD 3.1Å; P148-E150 PolarHBondContact O-N 3.25Å; P148-G151 PolarHBondContact O-N 3.39Å; P148-I152 WeakPolarHBondContact O-CG1 3.31Å; P148-I152 PolarHBondContact O-N 3.44Å; P148-I152 VanDerWaalsContact O-N 3.15Å
149	D	83.3	Confident	76.1	Confident	42 Å²	42	93 Å²	93	23%	0.225	48%	0.478	C	S	.	.	H	α-helix	trans	-70.1	-30.1	-176.6	-72.6	6.4	0	0	0	112.5	F132 K136 D147 I152 K153	F132-D149 HydrophobicContact CE2-CB 4.46Å; F132-D149 HydrophobicContact CZ-CB 4.03Å; K136-D149 WeakPolarHBondContact CE-OD1 3.15Å; K136-D149 VanDerWaalsContact NZ-CG 3.29Å; K136-D149 IonicContact NZ-OD1 2.72Å; K136-D149 PolarHBondContact NZ-OD1 3.42Å; K136-D149 IonicContact NZ-OD2 3Å; K136-D149 PolarHBondContact NZ-OD2 3.42Å; D147-D149 PolarHBondContact O-N 3.48Å; D147-D149 WeakPolarHBondContact OD1-CB 3.5Å; D147-D149 PolarHBondContact OD1-N 3.04Å; D147-D149 VanDerWaalsContact OD1-N 3.15Å; D149-I152 PolarHBondContact O-N 3.17Å; D149-K153 WeakPolarHBondContact O-CG 3.32Å; D149-K153 PolarHBondContact O-N 3.17Å
150	E	85.4	Confident	77.4	Confident	94 Å²	94	89.4 Å²	89.4	44%	0.439	46%	0.459	S	S	.	.	H	α-helix	trans	-69.3	-42.6	175	-69.5	-58.8	131.6	0	0	111.3	D147 P148 I152 K153 D154	D147-E150 HydrophobicContact CB-CG 4.49Å; D147-E150 PolarHBondContact O-N 3.01Å; P148-E150 PolarHBondContact O-N 3.25Å; E150-I152 VanDerWaalsContact C-N 3.29Å; E150-I152 PolarHBondContact O-N 3.14Å; E150-K153 WeakPolarHBondContact O-CB 3.36Å; E150-K153 PolarHBondContact O-N 3.07Å; E150-K153 VanDerWaalsContact O-N 3.13Å; E150-K153 IonicContact OE1-NZ 3.21Å; E150-K153 PolarHBondContact OE1-NZ 3.39Å; E150-D154 PolarHBondContact O-N 2.91Å
151	G	86.5	Confident	79.1	Confident	37 Å²	37	93.7 Å²	93.7	38%	0.381	47%	0.474	S	S	.	.	H	α-helix	trans	-61.2	-37.4	174.9	0	0	0	0	0	112.8	P148 D154 L155	P148-G151 PolarHBondContact O-N 3.39Å; G151-D154 PolarHBondContact O-N 2.89Å; G151-L155 WeakPolarHBondContact O-CG 3.37Å; G151-L155 PolarHBondContact O-N 2.88Å; G151-L155 VanDerWaalsContact O-N 3.12Å
152	I	89.5	Confident	81.1	Confident	8 Å²	8	90.9 Å²	90.9	4%	0.041	47%	0.467	C	S	.	.	H	α-helix	trans	-67.1	-41.1	174.3	-57.7	-55.6	0	0	0	111.4	F132 L135 K136 L139 P148 D149 E150 D154 L155 V156	F132-I152 HydrophobicContact CB-CG2 4.49Å; F132-I152 HydrophobicContact CD2-CB 4.04Å; F132-I152 HydrophobicContact CD2-CG2 3.42Å; F132-I152 VanDerWaalsContact CD2-CG2 3.42Å; F132-I152 HydrophobicContact CE2-CB 3.77Å; F132-I152 HydrophobicContact CE2-CG2 3.67Å; F132-I152 HydrophobicContact CG-CG2 4Å; F132-I152 HydrophobicContact CZ-CB 4.48Å; F132-I152 HydrophobicContact CZ-CG2 4.43Å; L135-I152 HydrophobicContact CB-CD1 4.24Å; L135-I152 HydrophobicContact CB-CG2 3.83Å; K136-I152 HydrophobicContact CB-CG1 4.47Å; L139-I152 HydrophobicContact CB-CD1 4.01Å; L139-I152 HydrophobicContact CD1-CD1 3.41Å; L139-I152 VanDerWaalsContact CD1-CD1 3.41Å; L139-I152 HydrophobicContact CG-CD1 4.3Å; P148-I152 WeakPolarHBondContact O-CG1 3.31Å; P148-I152 PolarHBondContact O-N 3.44Å; P148-I152 VanDerWaalsContact O-N 3.15Å; D149-I152 PolarHBondContact O-N 3.17Å; E150-I152 VanDerWaalsContact C-N 3.29Å; E150-I152 PolarHBondContact O-N 3.14Å; I152-D154 VanDerWaalsContact C-N 3.32Å; I152-D154 PolarHBondContact O-N 3.42Å; I152-L155 HydrophobicContact CD1-CD1 4.42Å; I152-L155 WeakPolarHBondContact O-CB 3.36Å; I152-L155 PolarHBondContact O-N 3.45Å; I152-V156 HydrophobicContact CG2-CG2 4.43Å; I152-V156 WeakPolarHBondContact O-CG2 3.11Å; I152-V156 PolarHBondContact O-N 3.24Å
153	K	91.7	Very high	83.4	Confident	94 Å²	94	83.4 Å²	83.4	41%	0.409	43%	0.432	S	S	.	.	H	α-helix	trans	-59.5	-44.2	176.3	-72	170.1	-166.8	169.3	0	111.4	F132 D149 E150 L155 V156 E157	F132-K153 HydrophobicContact CD2-CG 4.32Å; F132-K153 HydrophobicContact CE2-CG 4.01Å; D149-K153 WeakPolarHBondContact O-CG 3.32Å; D149-K153 PolarHBondContact O-N 3.17Å; E150-K153 WeakPolarHBondContact O-CB 3.36Å; E150-K153 PolarHBondContact O-N 3.07Å; E150-K153 VanDerWaalsContact O-N 3.13Å; E150-K153 IonicContact OE1-NZ 3.21Å; E150-K153 PolarHBondContact OE1-NZ 3.39Å; K153-L155 VanDerWaalsContact C-N 3.3Å; K153-L155 PolarHBondContact O-N 2.94Å; K153-V156 WeakPolarHBondContact O-CB 3.38Å; K153-V156 PolarHBondContact O-N 3.36Å; K153-V156 VanDerWaalsContact O-N 3.16Å; K153-E157 WeakPolarHBondContact O-CG 3.32Å; K153-E157 PolarHBondContact O-N 3.15Å
154	D	91.8	Very high	85.6	Confident	102 Å²	102	77.2 Å²	77.2	55%	0.545	39%	0.391	S	S	.	.	H	α-helix	trans	-60.4	-40.8	176.2	-76.3	-17.7	0	0	0	111.8	E150 G151 I152 E157 I158	E150-D154 PolarHBondContact O-N 2.91Å; G151-D154 PolarHBondContact O-N 2.89Å; I152-D154 VanDerWaalsContact C-N 3.32Å; I152-D154 PolarHBondContact O-N 3.42Å; D154-E157 PolarHBondContact O-N 3.35Å; D154-I158 WeakPolarHBondContact O-CB 3.42Å; D154-I158 WeakPolarHBondContact O-CD1 3.44Å; D154-I158 WeakPolarHBondContact O-CG1 3.31Å; D154-I158 PolarHBondContact O-N 2.86Å
155	L	91.6	Very high	87.4	Confident	68 Å²	68	76.4 Å²	76.4	36%	0.356	38%	0.381	S	S	.	.	H	α-helix	trans	-64.8	-38.8	175	-70.9	174.5	0	0	0	112.8	L135 L139 G151 I152 K153 I158 T159	L135-L155 HydrophobicContact CD1-CB 4.04Å; L139-L155 HydrophobicContact CD1-CD1 3.3Å; G151-L155 WeakPolarHBondContact O-CG 3.37Å; G151-L155 PolarHBondContact O-N 2.88Å; G151-L155 VanDerWaalsContact O-N 3.12Å; I152-L155 HydrophobicContact CD1-CD1 4.42Å; I152-L155 WeakPolarHBondContact O-CB 3.36Å; I152-L155 PolarHBondContact O-N 3.45Å; K153-L155 VanDerWaalsContact C-N 3.3Å; K153-L155 PolarHBondContact O-N 2.94Å; L155-I158 PolarHBondContact O-N 3.39Å; L155-T159 WeakPolarHBondContact O-CB 3.49Å; L155-T159 PolarHBondContact O-N 3.15Å; L155-T159 PolarHBondContact O-OG1 3.26Å
156	V	94.2	Very high	89.3	Confident	6 Å²	6	70.9 Å²	70.9	4%	0.036	36%	0.358	C	S	.	.	H	α-helix	trans	-61.5	-47	174.5	171.4	0	0	0	0	110.4	R128 M131 F132 L135 I152 K153 I158 T159 L160	R128-V156 HydrophobicContact CB-CG1 4.23Å; R128-V156 HydrophobicContact CG-CG1 3.77Å; M131-V156 HydrophobicContact CB-CG1 4.39Å; M131-V156 HydrophobicContact CB-CG2 3.94Å; M131-V156 HydrophobicContact SD-CG1 4.15Å; F132-V156 HydrophobicContact CB-CG2 4.2Å; L135-V156 HydrophobicContact CD1-CG2 3.92Å; I152-V156 HydrophobicContact CG2-CG2 4.43Å; I152-V156 WeakPolarHBondContact O-CG2 3.11Å; I152-V156 PolarHBondContact O-N 3.24Å; K153-V156 WeakPolarHBondContact O-CB 3.38Å; K153-V156 PolarHBondContact O-N 3.36Å; K153-V156 VanDerWaalsContact O-N 3.16Å; V156-I158 PolarHBondContact O-N 2.92Å; V156-T159 WeakPolarHBondContact O-CB 3.23Å; V156-T159 PolarHBondContact O-N 2.88Å; V156-L160 HydrophobicContact CG1-CD1 4.4Å; V156-L160 PolarHBondContact O-N 3.43Å
157	E	95.1	Very high	90.9	Very high	109 Å²	109	70.2 Å²	70.2	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-64	-41.3	178.1	-68.5	-61.2	144.3	0	0	112.2	K153 D154 T159 K161	K153-E157 WeakPolarHBondContact O-CG 3.32Å; K153-E157 PolarHBondContact O-N 3.15Å; D154-E157 PolarHBondContact O-N 3.35Å; E157-T159 VanDerWaalsContact C-N 3.29Å; E157-T159 PolarHBondContact O-N 3.45Å; E157-K161 VanDerWaalsContact O-CB 3.3Å; E157-K161 WeakPolarHBondContact O-CB 3.39Å; E157-K161 PolarHBondContact O-N 2.87Å
158	I	93.6	Very high	92.2	Very high	106 Å²	106	67.9 Å²	67.9	54%	0.544	34%	0.342	S	S	.	.	H	α-helix	trans	-61.2	-42.1	173.9	-70.6	163.7	0	0	0	110.6	D154 L155 V156 K161 K162	D154-I158 WeakPolarHBondContact O-CB 3.42Å; D154-I158 WeakPolarHBondContact O-CD1 3.44Å; D154-I158 WeakPolarHBondContact O-CG1 3.31Å; D154-I158 PolarHBondContact O-N 2.86Å; L155-I158 PolarHBondContact O-N 3.39Å; V156-I158 PolarHBondContact O-N 2.92Å; I158-K161 PolarHBondContact O-N 3.37Å; I158-K162 WeakPolarHBondContact O-CB 3.38Å; I158-K162 PolarHBondContact O-N 3.37Å; I158-K162 VanDerWaalsContact O-N 3.08Å
159	T	94.3	Very high	93.4	Very high	20 Å²	20	67.1 Å²	67.1	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-47.9	-179.1	-58	0	0	0	0	111.2	M131 L155 V156 E157 K161 K162 M163 L171 F190	M131-T159 HydrophobicContact SD-CG2 4.37Å; L155-T159 WeakPolarHBondContact O-CB 3.49Å; L155-T159 PolarHBondContact O-N 3.15Å; L155-T159 PolarHBondContact O-OG1 3.26Å; V156-T159 WeakPolarHBondContact O-CB 3.23Å; V156-T159 PolarHBondContact O-N 2.88Å; E157-T159 VanDerWaalsContact C-N 3.29Å; E157-T159 PolarHBondContact O-N 3.45Å; T159-K161 PolarHBondContact O-N 3.09Å; T159-K162 PolarHBondContact O-N 3.2Å; T159-K162 VanDerWaalsContact O-N 3.12Å; T159-M163 HydrophobicContact CG2-CG 4.19Å; T159-M163 HydrophobicContact CG2-SD 3.56Å; T159-M163 VanDerWaalsContact CG2-SD 3.56Å; T159-M163 WeakPolarHBondContact O-CB 3.42Å; T159-M163 WeakPolarHBondContact O-CG 3.23Å; T159-M163 PolarHBondContact O-N 2.85Å; T159-L171 HydrophobicContact CG2-CD1 4.47Å; T159-F190 HydrophobicContact CG2-CE1 3.58Å; T159-F190 HydrophobicContact CG2-CZ 3.51Å
160	L	96.5	Very high	94.1	Very high	11 Å²	11	69.3 Å²	69.3	6%	0.058	34%	0.343	C	S	.	.	H	α-helix	trans	-58	-49.9	174.1	-75.4	173.5	0	0	0	111	R128 M131 V156 K162 M163 D164 L171	R128-L160 HydrophobicContact CG-CD1 3.58Å; M131-L160 HydrophobicContact CE-CD2 3.73Å; M131-L160 HydrophobicContact CE-CG 4.34Å; M131-L160 HydrophobicContact SD-CD2 4.37Å; M131-L160 HydrophobicContact SD-CG 4.35Å; V156-L160 HydrophobicContact CG1-CD1 4.4Å; V156-L160 PolarHBondContact O-N 3.43Å; L160-K162 PolarHBondContact O-N 2.82Å; L160-M163 PolarHBondContact O-N 2.95Å; L160-D164 HydrophobicContact CB-CB 4.33Å; L160-D164 HydrophobicContact CD2-CB 3.97Å; L160-D164 WeakPolarHBondContact O-CA 3.5Å; L160-D164 WeakPolarHBondContact O-CB 3.26Å; L160-D164 PolarHBondContact O-N 2.98Å; L160-L171 HydrophobicContact CD2-CD2 4.3Å
161	K	95.9	Very high	94.7	Very high	185 Å²	185	64.9 Å²	64.9	80%	0.804	32%	0.323	S	S	*	.	H	α-helix	trans	-55.7	-29.7	178.4	-175.6	177	179.7	-179.6	0	113.3	E157 I158 T159	E157-K161 VanDerWaalsContact O-CB 3.3Å; E157-K161 WeakPolarHBondContact O-CB 3.39Å; E157-K161 PolarHBondContact O-N 2.87Å; I158-K161 PolarHBondContact O-N 3.37Å; T159-K161 PolarHBondContact O-N 3.09Å
162	K	95.3	Very high	95.2	Very high	107 Å²	107	64 Å²	64	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-88.1	-37.6	-178.3	-174.1	67.3	178.1	-163.3	0	112.9	I158 T159 L160 E183 L186	I158-K162 WeakPolarHBondContact O-CB 3.38Å; I158-K162 PolarHBondContact O-N 3.37Å; I158-K162 VanDerWaalsContact O-N 3.08Å; T159-K162 PolarHBondContact O-N 3.2Å; T159-K162 VanDerWaalsContact O-N 3.12Å; L160-K162 PolarHBondContact O-N 2.82Å; K162-E183 WeakPolarHBondContact CE-OE2 3.39Å; K162-E183 IonicContact NZ-OE2 2.71Å; K162-E183 PolarHBondContact NZ-OE2 3.2Å; K162-L186 HydrophobicContact CG-CD1 4.01Å
163	M	97.1	Very high	95.6	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-110.4	-30.7	-167	-56.3	-174.7	72.9	0	0	113.6	T159 L160 H165 L171 D175 F176 A179 V180 L186	T159-M163 HydrophobicContact CG2-CG 4.19Å; T159-M163 HydrophobicContact CG2-SD 3.56Å; T159-M163 VanDerWaalsContact CG2-SD 3.56Å; T159-M163 WeakPolarHBondContact O-CB 3.42Å; T159-M163 WeakPolarHBondContact O-CG 3.23Å; T159-M163 PolarHBondContact O-N 2.85Å; L160-M163 PolarHBondContact O-N 2.95Å; M163-H165 PolarHBondContact O-CD2 3.48Å; M163-H165 PolarHBondContact O-N 3.28Å; M163-L171 HydrophobicContact CB-CD1 3.93Å; M163-L171 HydrophobicContact CB-CD2 3.57Å; M163-L171 HydrophobicContact CB-CG 4.42Å; M163-L171 HydrophobicContact CE-CD1 4.37Å; M163-L171 HydrophobicContact SD-CD1 4.1Å; M163-D175 WeakPolarHBondContact O-CB 3.34Å; M163-F176 HydrophobicContact CE-CD2 3.38Å; M163-F176 HydrophobicContact CE-CE2 3.75Å; M163-F176 HydrophobicContact CE-CG 4.29Å; M163-A179 HydrophobicContact CB-CB 3.9Å; M163-A179 HydrophobicContact CE-CB 3.77Å; M163-A179 HydrophobicContact CG-CB 3.76Å; M163-V180 HydrophobicContact CE-CG2 4.45Å; M163-L186 HydrophobicContact CE-CB 4.16Å; M163-L186 HydrophobicContact CG-CD1 4.11Å; M163-L186 HydrophobicContact SD-CB 4.45Å; M163-L186 HydrophobicContact SD-CD1 4.36Å
164	D	97.5	Very high	96	Very high	9 Å²	9	65.5 Å²	65.5	5%	0.048	33%	0.327	C	S	.	.			trans	-78	100.3	-178.9	178.9	1.2	0	0	0	110.2	L160 D166 H167 D168 S169 L171	L160-D164 HydrophobicContact CB-CB 4.33Å; L160-D164 HydrophobicContact CD2-CB 3.97Å; L160-D164 WeakPolarHBondContact O-CA 3.5Å; L160-D164 WeakPolarHBondContact O-CB 3.26Å; L160-D164 PolarHBondContact O-N 2.98Å; D164-D166 PolarHBondContact OD1-N 3.44Å; D164-H167 PolarHBondContact O-CE1 3.19Å; D164-H167 PolarHBondContact O-ND1 3.13Å; D164-H167 WeakPolarHBondContact OD1-CA 3.38Å; D164-H167 PolarHBondContact OD1-N 2.91Å; D164-H167 WeakPolarHBondContact OD2-CA 3.25Å; D164-D168 PolarHBondContact OD1-N 3.28Å; D164-D168 PolarHBondContact OD2-N 3.42Å; D164-S169 VanDerWaalsContact OD2-CA 3.32Å; D164-S169 WeakPolarHBondContact OD2-CA 3.46Å; D164-S169 PolarHBondContact OD2-N 3.1Å; D164-L171 HydrophobicContact CB-CD2 3.77Å
165	H	96.1	Very high	96.3	Very high	70 Å²	70	61 Å²	61	32%	0.324	30%	0.303	S	S	.	.	S	Bend	trans	-87.9	-25.5	-175.9	-68.8	-62.8	0	0	0	114	M163 D175 K178	M163-H165 PolarHBondContact O-CD2 3.48Å; M163-H165 PolarHBondContact O-N 3.28Å; H165-D175 WeakPolarHBondContact CB-OD1 3.21Å; H165-D175 IonicContact CD2-OD1 3.08Å; H165-D175 IonicContact CG-OD1 2.73Å; H165-D175 PolarHBondContact N-OD1 2.91Å; H165-K178 PolarHBondContact CE1-NZ 3.26Å; H165-K178 PolarHBondContact ND1-NZ 3.14Å; H165-K178 WeakPolarHBondContact NE2-CD 3.11Å
166	D	96.7	Very high	96.6	Very high	95 Å²	95	57.8 Å²	57.8	51%	0.508	29%	0.286	S	S	.	.	S	Bend	trans	-97.1	-5.7	179.3	75	2.6	0	0	0	113.5	D164 D168	D164-D166 PolarHBondContact OD1-N 3.44Å; D166-D168 VanDerWaalsContact C-N 3.31Å; D166-D168 WeakPolarHBondContact OD1-CB 3.43Å; D166-D168 VanDerWaalsContact OD1-CG 3.3Å; D166-D168 PolarHBondContact OD1-N 2.94Å
167	H	95.9	Very high	96.8	Very high	147 Å²	147	60 Å²	60	68%	0.681	30%	0.296	S	S	*	.			trans	63.5	32.7	175.3	-55.9	-45.9	0	0	0	113.5	D164 S169	D164-H167 PolarHBondContact O-CE1 3.19Å; D164-H167 PolarHBondContact O-ND1 3.13Å; D164-H167 WeakPolarHBondContact OD1-CA 3.38Å; D164-H167 PolarHBondContact OD1-N 2.91Å; D164-H167 WeakPolarHBondContact OD2-CA 3.25Å; H167-S169 VanDerWaalsContact C-N 3.26Å
168	D	96.9	Very high	96.9	Very high	53 Å²	53	59.8 Å²	59.8	28%	0.283	29%	0.293	S	S	.	.	S	Bend	trans	-86.3	4.4	175.9	86.5	-9.5	0	0	0	113.7	D164 D166 R170	D164-D168 PolarHBondContact OD1-N 3.28Å; D164-D168 PolarHBondContact OD2-N 3.42Å; D166-D168 VanDerWaalsContact C-N 3.31Å; D166-D168 WeakPolarHBondContact OD1-CB 3.43Å; D166-D168 VanDerWaalsContact OD1-CG 3.3Å; D166-D168 PolarHBondContact OD1-N 2.94Å; D168-R170 VanDerWaalsContact C-N 3.31Å; D168-R170 PolarHBondContact O-N 3.09Å; D168-R170 WeakPolarHBondContact OD1-CG 3.38Å; D168-R170 PolarHBondContact OD1-N 2.99Å; D168-R170 IonicContact OD1-NE 2.71Å; D168-R170 VanDerWaalsContact OD1-O 3.12Å; D168-R170 IonicContact OD2-CZ 3.69Å; D168-R170 VanDerWaalsContact OD2-CZ 3.27Å; D168-R170 IonicContact OD2-NE 3.32Å; D168-R170 PolarHBondContact OD2-NE 2.82Å; D168-R170 IonicContact OD2-NH2 3.08Å; D168-R170 PolarHBondContact OD2-NH2 2.64Å
169	S	96.3	Very high	97.1	Very high	46 Å²	46	54.9 Å²	54.9	32%	0.322	27%	0.269	S	S	.	.	S	Bend	trans	66.3	26.3	175.9	-48.8	0	0	0	0	115	R128 D164 H167	R128-S169 PolarHBondContact NE-O 3.1Å; R128-S169 VanDerWaalsContact NH2-CB 3.26Å; D164-S169 VanDerWaalsContact OD2-CA 3.32Å; D164-S169 WeakPolarHBondContact OD2-CA 3.46Å; D164-S169 PolarHBondContact OD2-N 3.1Å; H167-S169 VanDerWaalsContact C-N 3.26Å
170	R	97.3	Very high	97.2	Very high	89 Å²	89	54 Å²	54	34%	0.336	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	171.5	169.3	53	-176.2	-179.6	159.6	11.8	107.5	Y125 I126 D168	Y125-R170 HydrophobicContact CD1-CG 3.85Å; Y125-R170 VanDerWaalsContact CE1-NH2 3.34Å; Y125-R170 HydrophobicContact CG-CG 4.33Å; I126-R170 WeakPolarHBondContact O-CA 3.28Å; D168-R170 VanDerWaalsContact C-N 3.31Å; D168-R170 PolarHBondContact O-N 3.09Å; D168-R170 WeakPolarHBondContact OD1-CG 3.38Å; D168-R170 PolarHBondContact OD1-N 2.99Å; D168-R170 IonicContact OD1-NE 2.71Å; D168-R170 VanDerWaalsContact OD1-O 3.12Å; D168-R170 IonicContact OD2-CZ 3.69Å; D168-R170 VanDerWaalsContact OD2-CZ 3.27Å; D168-R170 IonicContact OD2-NE 3.32Å; D168-R170 PolarHBondContact OD2-NE 2.82Å; D168-R170 IonicContact OD2-NH2 3.08Å; D168-R170 PolarHBondContact OD2-NH2 2.64Å
171	L	98.3	Very high	97.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.3	178.2	-57.2	175.7	0	0	0	109.8	Y125 I126 M131 T159 L160 M163 D164 D175 F190	Y125-L171 CarbonylContact C-O 3.57Å; Y125-L171 VanDerWaalsContact CA-O 3.26Å; Y125-L171 WeakPolarHBondContact CA-O 3.38Å; I126-L171 HydrophobicContact CB-CB 4.23Å; I126-L171 PolarHBondContact N-O 2.94Å; I126-L171 PolarHBondContact O-N 3.22Å; M131-L171 HydrophobicContact CE-CB 4.39Å; M131-L171 HydrophobicContact CE-CD1 3.6Å; M131-L171 HydrophobicContact CE-CD2 4.49Å; M131-L171 HydrophobicContact CE-CG 3.49Å; M131-L171 VanDerWaalsContact CE-CG 3.49Å; T159-L171 HydrophobicContact CG2-CD1 4.47Å; L160-L171 HydrophobicContact CD2-CD2 4.3Å; M163-L171 HydrophobicContact CB-CD1 3.93Å; M163-L171 HydrophobicContact CB-CD2 3.57Å; M163-L171 HydrophobicContact CB-CG 4.42Å; M163-L171 HydrophobicContact CE-CD1 4.37Å; M163-L171 HydrophobicContact SD-CD1 4.1Å; D164-L171 HydrophobicContact CB-CD2 3.77Å; L171-D175 HydrophobicContact CB-CB 4.4Å; L171-D175 HydrophobicContact CD2-CB 4.2Å; L171-F190 HydrophobicContact CD1-CE2 4.17Å; L171-F190 HydrophobicContact CD1-CZ 3.8Å
172	S	98.4	Very high	97.2	Very high	20 Å²	20	56 Å²	56	14%	0.14	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	167.2	164.9	75.6	0	0	0	0	110.7	A174 D175 F176	S172-A174 PolarHBondContact O-N 2.98Å; S172-A174 PolarHBondContact OG-N 3.16Å; S172-D175 VanDerWaalsContact CB-OD2 3.29Å; S172-D175 WeakPolarHBondContact CB-OD2 3.32Å; S172-D175 PolarHBondContact N-OD2 2.96Å; S172-D175 WeakPolarHBondContact O-CB 3.39Å; S172-D175 PolarHBondContact O-N 3.46Å; S172-D175 PolarHBondContact OG-N 3.43Å; S172-D175 PolarHBondContact OG-OD2 2.9Å; S172-F176 PolarHBondContact O-N 2.93Å
173	Y	98.1	Very high	97.2	Very high	72 Å²	72	54.2 Å²	54.2	28%	0.282	27%	0.268	S	S	.	.	H	α-helix	trans	-56.2	-37.1	171	176.2	-104.9	0	0	0	112.3	I111 K112 F115 F176 E177	I111-Y173 HydrophobicContact CG2-CE2 4Å; K112-Y173 HydrophobicContact CB-CE2 4.06Å; K112-Y173 HydrophobicContact CD-CD2 4.06Å; K112-Y173 HydrophobicContact CD-CE2 3.68Å; K112-Y173 HydrophobicContact CG-CE2 4.46Å; F115-Y173 HydrophobicContact CB-CD2 4.06Å; F115-Y173 HydrophobicContact CB-CE2 4.48Å; F115-Y173 HydrophobicContact CD1-CD2 4.07Å; F115-Y173 HydrophobicContact CD2-CD2 4.21Å; F115-Y173 AromaticContact CG-CD2 3.82Å; F115-Y173 HydrophobicContact CG-CD2 3.82Å; Y173-F176 PolarHBondContact O-N 3.16Å; Y173-E177 HydrophobicContact CE1-CB 4.38Å; Y173-E177 VanDerWaalsContact O-CB 3.23Å; Y173-E177 WeakPolarHBondContact O-CB 3.44Å; Y173-E177 PolarHBondContact O-N 3.36Å
174	A	98.3	Very high	97	Very high	60 Å²	60	58.8 Å²	58.8	50%	0.496	29%	0.292	S	S	.	.	H	α-helix	trans	-68	-37.5	-179.7	0	0	0	0	0	112	S172 K178	S172-A174 PolarHBondContact O-N 2.98Å; S172-A174 PolarHBondContact OG-N 3.16Å; A174-K178 VanDerWaalsContact O-CB 3.22Å; A174-K178 WeakPolarHBondContact O-CB 3.32Å; A174-K178 PolarHBondContact O-N 3.25Å
175	D	98.3	Very high	96.8	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.043	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-51.8	174.1	-66.3	-54.4	0	0	0	111	M163 H165 L171 S172 K178 A179	M163-D175 WeakPolarHBondContact O-CB 3.34Å; H165-D175 WeakPolarHBondContact CB-OD1 3.21Å; H165-D175 IonicContact CD2-OD1 3.08Å; H165-D175 IonicContact CG-OD1 2.73Å; H165-D175 PolarHBondContact N-OD1 2.91Å; L171-D175 HydrophobicContact CB-CB 4.4Å; L171-D175 HydrophobicContact CD2-CB 4.2Å; S172-D175 VanDerWaalsContact CB-OD2 3.29Å; S172-D175 WeakPolarHBondContact CB-OD2 3.32Å; S172-D175 PolarHBondContact N-OD2 2.96Å; S172-D175 WeakPolarHBondContact O-CB 3.39Å; S172-D175 PolarHBondContact O-N 3.46Å; S172-D175 PolarHBondContact OG-N 3.43Å; S172-D175 PolarHBondContact OG-OD2 2.9Å; D175-K178 PolarHBondContact O-N 3.39Å; D175-A179 VanDerWaalsContact O-CB 3.3Å; D175-A179 WeakPolarHBondContact O-CB 3.21Å; D175-A179 PolarHBondContact O-N 3.36Å
176	F	98	Very high	96.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-48.9	179.9	-174.1	-100	0	0	0	111.9	I111 C114 F115 Y118 I126 M163 S172 Y173 K178 A179 V180 F190	I111-F176 HydrophobicContact CG2-CD1 3.99Å; I111-F176 HydrophobicContact CG2-CE1 4.17Å; I111-F176 WeakPolarHBondContact O-CE1 3.47Å; C114-F176 HydrophobicContact CB-CE1 4.23Å; C114-F176 HydrophobicContact CB-CZ 4.16Å; F115-F176 HydrophobicContact CB-CD1 3.96Å; F115-F176 HydrophobicContact CB-CE1 4.2Å; F115-F176 HydrophobicContact CD2-CB 3.7Å; F115-F176 AromaticContact CD2-CD1 3.95Å; F115-F176 HydrophobicContact CD2-CD1 3.95Å; F115-F176 AromaticContact CD2-CG 3.84Å; F115-F176 HydrophobicContact CD2-CG 3.84Å; F115-F176 HydrophobicContact CE2-CB 4.13Å; F115-F176 HydrophobicContact CG-CD1 4.45Å; Y118-F176 HydrophobicContact CD2-CE2 4.16Å; Y118-F176 HydrophobicContact CD2-CZ 4.12Å; Y118-F176 HydrophobicContact CE2-CE2 4.28Å; Y118-F176 HydrophobicContact CE2-CZ 4.05Å; I126-F176 HydrophobicContact CD1-CD2 4.23Å; M163-F176 HydrophobicContact CE-CD2 3.38Å; M163-F176 HydrophobicContact CE-CE2 3.75Å; M163-F176 HydrophobicContact CE-CG 4.29Å; S172-F176 PolarHBondContact O-N 2.93Å; Y173-F176 PolarHBondContact O-N 3.16Å; F176-K178 PolarHBondContact O-N 3.21Å; F176-A179 PolarHBondContact O-N 3.27Å; F176-V180 HydrophobicContact CD1-CG2 4.25Å; F176-V180 HydrophobicContact CD2-CG2 4.45Å; F176-V180 HydrophobicContact CE1-CG2 3.94Å; F176-V180 HydrophobicContact CE2-CG2 4.14Å; F176-V180 HydrophobicContact CG-CG2 4.5Å; F176-V180 HydrophobicContact CZ-CG2 3.87Å; F176-V180 WeakPolarHBondContact O-CB 3.27Å; F176-V180 VanDerWaalsContact O-CG2 3.23Å; F176-V180 WeakPolarHBondContact O-CG2 3.38Å; F176-V180 PolarHBondContact O-N 3.46Å; F176-F190 HydrophobicContact CE2-CE2 4.36Å
177	E	98.1	Very high	96.7	Very high	53 Å²	53	59.6 Å²	59.6	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-49.8	178.4	177.6	-177.2	-160	0	0	111.3	I111 Y173 V180 R181	I111-E177 HydrophobicContact CD1-CG 4.49Å; I111-E177 HydrophobicContact CG2-CB 3.94Å; I111-E177 HydrophobicContact CG2-CG 4.18Å; Y173-E177 HydrophobicContact CE1-CB 4.38Å; Y173-E177 VanDerWaalsContact O-CB 3.23Å; Y173-E177 WeakPolarHBondContact O-CB 3.44Å; Y173-E177 PolarHBondContact O-N 3.36Å; E177-V180 PolarHBondContact O-N 3.33Å; E177-R181 WeakPolarHBondContact O-CB 3.48Å; E177-R181 VanDerWaalsContact O-CG 3.29Å; E177-R181 WeakPolarHBondContact O-CG 3.29Å; E177-R181 PolarHBondContact O-N 3.46Å; E177-R181 IonicContact OE1-CZ 3.23Å; E177-R181 IonicContact OE1-NE 3.94Å; E177-R181 PolarHBondContact OE1-NE 2.95Å; E177-R181 VanDerWaalsContact OE1-NE 3.08Å; E177-R181 IonicContact OE1-NH2 3.22Å; E177-R181 PolarHBondContact OE1-NH2 3Å
178	K	97.6	Very high	96.6	Very high	104 Å²	104	55.8 Å²	55.8	45%	0.452	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-46.7	-178.3	-178	175.4	162.4	-148.2	0	111.3	H165 A174 D175 F176 V180 R181 D182	H165-K178 PolarHBondContact CE1-NZ 3.26Å; H165-K178 PolarHBondContact ND1-NZ 3.14Å; H165-K178 WeakPolarHBondContact NE2-CD 3.11Å; A174-K178 VanDerWaalsContact O-CB 3.22Å; A174-K178 WeakPolarHBondContact O-CB 3.32Å; A174-K178 PolarHBondContact O-N 3.25Å; D175-K178 PolarHBondContact O-N 3.39Å; F176-K178 PolarHBondContact O-N 3.21Å; K178-V180 VanDerWaalsContact C-N 3.34Å; K178-V180 PolarHBondContact O-N 3.12Å; K178-R181 PolarHBondContact O-N 3.12Å; K178-D182 PolarHBondContact O-N 3.17Å
179	A	97.3	Very high	96.3	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-42.1	178.8	0	0	0	0	0	112.4	M163 D175 F176 D182 E183 L186	M163-A179 HydrophobicContact CB-CB 3.9Å; M163-A179 HydrophobicContact CE-CB 3.77Å; M163-A179 HydrophobicContact CG-CB 3.76Å; D175-A179 VanDerWaalsContact O-CB 3.3Å; D175-A179 WeakPolarHBondContact O-CB 3.21Å; D175-A179 PolarHBondContact O-N 3.36Å; F176-A179 PolarHBondContact O-N 3.27Å; A179-D182 PolarHBondContact O-N 2.68Å; A179-E183 PolarHBondContact O-N 3.08Å; A179-L186 HydrophobicContact CB-CD1 4.15Å
180	V	97.3	Very high	96.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.2	-34.7	177.7	176.4	0	0	0	0	112	L107 I111 M163 F176 E177 K178 D182 E183 N184 L186 L187	L107-V180 HydrophobicContact CD1-CG1 4.42Å; I111-V180 HydrophobicContact CD1-CB 4.22Å; I111-V180 HydrophobicContact CD1-CG1 3.92Å; I111-V180 HydrophobicContact CG1-CB 4.16Å; I111-V180 HydrophobicContact CG1-CG1 3.7Å; M163-V180 HydrophobicContact CE-CG2 4.45Å; F176-V180 HydrophobicContact CD1-CG2 4.25Å; F176-V180 HydrophobicContact CD2-CG2 4.45Å; F176-V180 HydrophobicContact CE1-CG2 3.94Å; F176-V180 HydrophobicContact CE2-CG2 4.14Å; F176-V180 HydrophobicContact CG-CG2 4.5Å; F176-V180 HydrophobicContact CZ-CG2 3.87Å; F176-V180 WeakPolarHBondContact O-CB 3.27Å; F176-V180 VanDerWaalsContact O-CG2 3.23Å; F176-V180 WeakPolarHBondContact O-CG2 3.38Å; F176-V180 PolarHBondContact O-N 3.46Å; E177-V180 PolarHBondContact O-N 3.33Å; K178-V180 VanDerWaalsContact C-N 3.34Å; K178-V180 PolarHBondContact O-N 3.12Å; V180-D182 VanDerWaalsContact C-N 3.34Å; V180-E183 CarbonylContact O-C 3.57Å; V180-E183 PolarHBondContact O-N 3.01Å; V180-N184 VanDerWaalsContact O-CA 3.23Å; V180-N184 WeakPolarHBondContact O-CA 3.35Å; V180-N184 PolarHBondContact O-N 3.23Å; V180-N184 VanDerWaalsContact O-N 3.09Å; V180-L186 HydrophobicContact CG2-CB 4.2Å; V180-L187 HydrophobicContact CG1-CB 3.82Å; V180-L187 HydrophobicContact CG1-CD1 4.05Å; V180-L187 HydrophobicContact CG1-CG 4.49Å
181	R	96.7	Very high	95.7	Very high	112 Å²	112	48.6 Å²	48.6	42%	0.423	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-36.9	174.7	-74.2	-177.8	-172.9	-65.5	2.9	112.4	D108 I111 E177 K178	D108-R181 VanDerWaalsContact CG-NH2 3.33Å; D108-R181 IonicContact OD1-CZ 2.78Å; D108-R181 IonicContact OD1-NH1 2.88Å; D108-R181 PolarHBondContact OD1-NH1 2.87Å; D108-R181 IonicContact OD1-NH2 2.61Å; D108-R181 PolarHBondContact OD1-NH2 2.75Å; D108-R181 IonicContact OD2-NH2 3.52Å; I111-R181 HydrophobicContact CD1-CG 4.18Å; E177-R181 WeakPolarHBondContact O-CB 3.48Å; E177-R181 VanDerWaalsContact O-CG 3.29Å; E177-R181 WeakPolarHBondContact O-CG 3.29Å; E177-R181 PolarHBondContact O-N 3.46Å; E177-R181 IonicContact OE1-CZ 3.23Å; E177-R181 IonicContact OE1-NE 3.94Å; E177-R181 PolarHBondContact OE1-NE 2.95Å; E177-R181 VanDerWaalsContact OE1-NE 3.08Å; E177-R181 IonicContact OE1-NH2 3.22Å; E177-R181 PolarHBondContact OE1-NH2 3Å; K178-R181 PolarHBondContact O-N 3.12Å
182	D	95.9	Very high	95.4	Very high	128 Å²	128	53 Å²	53	68%	0.684	28%	0.278	S	S	*	.	H	α-helix	trans	-72.2	-38.1	175.3	-72.3	-12.3	0	0	0	111.2	K178 A179 V180	K178-D182 PolarHBondContact O-N 3.17Å; A179-D182 PolarHBondContact O-N 2.68Å; V180-D182 VanDerWaalsContact C-N 3.34Å
183	E	95.5	Very high	95.1	Very high	69 Å²	69	52 Å²	52	32%	0.322	27%	0.271	S	S	.	.			trans	-141.4	94.7	-179.6	-171.7	169.3	174.9	0	0	111.9	K162 A179 V180 L185 L186	K162-E183 WeakPolarHBondContact CE-OE2 3.39Å; K162-E183 IonicContact NZ-OE2 2.71Å; K162-E183 PolarHBondContact NZ-OE2 3.2Å; A179-E183 PolarHBondContact O-N 3.08Å; V180-E183 CarbonylContact O-C 3.57Å; V180-E183 PolarHBondContact O-N 3.01Å; E183-L185 HydrophobicContact CG-CB 4.42Å; E183-L185 PolarHBondContact O-N 3.12Å; E183-L186 HydrophobicContact CB-CD1 3.97Å; E183-L186 HydrophobicContact CB-CG 4.16Å; E183-L186 HydrophobicContact CG-CD1 4.44Å; E183-L186 HydrophobicContact CG-CG 4.2Å; E183-L186 WeakPolarHBondContact O-CB 3.38Å; E183-L186 PolarHBondContact O-N 2.7Å
184	N	93.6	Very high	95	Very high	95 Å²	95	49.3 Å²	49.3	51%	0.508	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-58.3	-21.2	-174.6	-174.6	84.4	0	0	0	114.6	L107 V180 L186 L187	L107-N184 VanDerWaalsContact CD1-OD1 3.26Å; L107-N184 WeakPolarHBondContact CD1-OD1 3.24Å; V180-N184 VanDerWaalsContact O-CA 3.23Å; V180-N184 WeakPolarHBondContact O-CA 3.35Å; V180-N184 PolarHBondContact O-N 3.23Å; V180-N184 VanDerWaalsContact O-N 3.09Å; N184-L186 PolarHBondContact O-N 3.45Å; N184-L187 WeakPolarHBondContact O-CB 3.38Å; N184-L187 PolarHBondContact O-N 2.89Å
185	L	92.9	Very high	94.8	Very high	149 Å²	149	47 Å²	47	78%	0.78	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-65.4	-19.8	175.7	-66.9	172.5	0	0	0	112.8	E183 L187	E183-L185 HydrophobicContact CG-CB 4.42Å; E183-L185 PolarHBondContact O-N 3.12Å; L185-L187 VanDerWaalsContact C-N 3.25Å; L185-L187 PolarHBondContact O-N 3.44Å
186	L	95.1	Very high	94.6	Very high	28 Å²	28	50.5 Å²	50.5	15%	0.147	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-77.4	-8	178.2	-61.6	176.6	0	0	0	113.5	K162 M163 A179 V180 E183 N184 E188 A189	K162-L186 HydrophobicContact CG-CD1 4.01Å; M163-L186 HydrophobicContact CE-CB 4.16Å; M163-L186 HydrophobicContact CG-CD1 4.11Å; M163-L186 HydrophobicContact SD-CB 4.45Å; M163-L186 HydrophobicContact SD-CD1 4.36Å; A179-L186 HydrophobicContact CB-CD1 4.15Å; V180-L186 HydrophobicContact CG2-CB 4.2Å; E183-L186 HydrophobicContact CB-CD1 3.97Å; E183-L186 HydrophobicContact CB-CG 4.16Å; E183-L186 HydrophobicContact CG-CD1 4.44Å; E183-L186 HydrophobicContact CG-CG 4.2Å; E183-L186 WeakPolarHBondContact O-CB 3.38Å; E183-L186 PolarHBondContact O-N 2.7Å; N184-L186 PolarHBondContact O-N 3.45Å; L186-E188 PolarHBondContact O-N 3.19Å; L186-A189 HydrophobicContact CD2-CB 4.49Å; L186-A189 VanDerWaalsContact O-CB 3.26Å; L186-A189 WeakPolarHBondContact O-CB 3.47Å; L186-A189 PolarHBondContact O-N 2.89Å; L186-A189 VanDerWaalsContact O-N 3.13Å
187	L	95.9	Very high	94.3	Very high	15 Å²	15	53.9 Å²	53.9	8%	0.079	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-55.3	-38.3	-179	178.6	63.4	0	0	0	112.1	L107 K110 I111 C114 V180 N184 L185 L194	L107-L187 HydrophobicContact CD1-CD2 4.44Å; K110-L187 HydrophobicContact CB-CD1 4.44Å; K110-L187 HydrophobicContact CB-CD2 4.17Å; I111-L187 HydrophobicContact CB-CD1 4.48Å; I111-L187 HydrophobicContact CG1-CD1 3.96Å; C114-L187 HydrophobicContact CB-CD1 4Å; V180-L187 HydrophobicContact CG1-CB 3.82Å; V180-L187 HydrophobicContact CG1-CD1 4.05Å; V180-L187 HydrophobicContact CG1-CG 4.49Å; N184-L187 WeakPolarHBondContact O-CB 3.38Å; N184-L187 PolarHBondContact O-N 2.89Å; L185-L187 VanDerWaalsContact C-N 3.25Å; L185-L187 PolarHBondContact O-N 3.44Å; L187-L194 HydrophobicContact CD2-CD1 4Å
188	E	93.3	Very high	94.2	Very high	66 Å²	66	59.4 Å²	59.4	31%	0.308	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-112.2	30.6	-180	-62.2	-171.5	94.7	0	0	112.9	Y118 L186 F190 G191 T192 C193 L194	Y118-E188 WeakPolarHBondContact OH-CA 3.46Å; L186-E188 PolarHBondContact O-N 3.19Å; E188-F190 PolarHBondContact O-N 3.5Å; E188-F190 VanDerWaalsContact O-N 3.1Å; E188-G191 PolarHBondContact O-N 3.36Å; E188-G191 VanDerWaalsContact O-N 3.1Å; E188-T192 VanDerWaalsContact OE1-CA 3.28Å; E188-T192 WeakPolarHBondContact OE1-CA 2.96Å; E188-C193 PolarHBondContact OE1-N 3.16Å; E188-L194 PolarHBondContact OE1-N 3.4Å
189	A	91.3	Very high	94.1	Very high	32 Å²	32	55.4 Å²	55.4	26%	0.264	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.6	-172.1	0	0	0	0	0	114.6	L186	L186-A189 HydrophobicContact CD2-CB 4.49Å; L186-A189 VanDerWaalsContact O-CB 3.26Å; L186-A189 WeakPolarHBondContact O-CB 3.47Å; L186-A189 PolarHBondContact O-N 2.89Å; L186-A189 VanDerWaalsContact O-N 3.13Å
190	F	91.1	Very high	94	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	0.2	-176.9	-53.8	-65.5	0	0	0	114	Y118 I126 M131 M134 L135 T159 L171 F176 E188	Y118-F190 HydrophobicContact CD1-CB 4.04Å; Y118-F190 HydrophobicContact CD1-CD2 4.44Å; Y118-F190 AromaticContact CD2-CD2 3.61Å; Y118-F190 HydrophobicContact CD2-CD2 3.61Å; Y118-F190 HydrophobicContact CD2-CE2 4.39Å; Y118-F190 HydrophobicContact CE1-CB 3.92Å; Y118-F190 HydrophobicContact CE2-CB 4.44Å; Y118-F190 AromaticContact CE2-CD2 3.91Å; Y118-F190 HydrophobicContact CE2-CD2 3.91Å; Y118-F190 HydrophobicContact CG-CB 4.34Å; Y118-F190 AromaticContact CG-CD2 3.89Å; Y118-F190 HydrophobicContact CG-CD2 3.89Å; I126-F190 HydrophobicContact CD1-CE2 4.11Å; I126-F190 HydrophobicContact CG2-CE2 4.34Å; M131-F190 HydrophobicContact CB-CD1 4.14Å; M131-F190 HydrophobicContact CB-CE1 3.8Å; M131-F190 HydrophobicContact CE-CZ 4.37Å; M131-F190 HydrophobicContact CG-CD1 4.1Å; M131-F190 HydrophobicContact CG-CE1 3.4Å; M131-F190 VanDerWaalsContact CG-CE1 3.4Å; M131-F190 HydrophobicContact CG-CZ 3.72Å; M131-F190 HydrophobicContact SD-CE1 3.81Å; M131-F190 HydrophobicContact SD-CZ 3.94Å; M134-F190 HydrophobicContact CB-CB 3.97Å; M134-F190 WeakPolarHBondContact CB-O 3.3Å; M134-F190 HydrophobicContact CE-CB 3.83Å; M134-F190 HydrophobicContact CE-CD1 4.41Å; M134-F190 HydrophobicContact CE-CD2 4.22Å; M134-F190 HydrophobicContact CE-CG 3.9Å; M134-F190 HydrophobicContact SD-CB 3.96Å; L135-F190 HydrophobicContact CD1-CD1 4.37Å; L135-F190 HydrophobicContact CD2-CD1 4.31Å; L135-F190 HydrophobicContact CG-CD1 4.15Å; T159-F190 HydrophobicContact CG2-CE1 3.58Å; T159-F190 HydrophobicContact CG2-CZ 3.51Å; L171-F190 HydrophobicContact CD1-CE2 4.17Å; L171-F190 HydrophobicContact CD1-CZ 3.8Å; F176-F190 HydrophobicContact CE2-CE2 4.36Å; E188-F190 PolarHBondContact O-N 3.5Å; E188-F190 VanDerWaalsContact O-N 3.1Å
191	G	90.1	Very high	93.8	Very high	5 Å²	5	61 Å²	61	5%	0.052	32%	0.324	C	S	.	.	S	Bend	trans	141.5	150	179.4	0	0	0	0	0	112.6	Y118 E188 C193	Y118-G191 PolarHBondContact OH-O 2.97Å; E188-G191 PolarHBondContact O-N 3.36Å; E188-G191 VanDerWaalsContact O-N 3.1Å; G191-C193 PolarHBondContact O-N 2.93Å; G191-C193 VanDerWaalsContact O-N 3.09Å
192	T	90.8	Very high	93.7	Very high	92 Å²	92	58.2 Å²	58.2	56%	0.564	33%	0.326	S	S	*	.			trans	-69.4	104.6	-176.5	54.9	0	0	0	0	111.2	M69 I74 E188	M69-T192 WeakPolarHBondContact CE-O 3.39Å; I74-T192 WeakPolarHBondContact CG2-O 3.26Å; E188-T192 VanDerWaalsContact OE1-CA 3.28Å; E188-T192 WeakPolarHBondContact OE1-CA 2.96Å
193	C	92.3	Very high	93.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.295	C	S	.	.			trans	-114.4	-2.3	-178.2	66.9	0	0	0	0	113.5	I74 V78 F102 C114 V117 Y118 E188 G191	I74-C193 HydrophobicContact CG2-CB 3.62Å; V78-C193 HydrophobicContact CG2-CB 4.19Å; F102-C193 VanDerWaalsContact CE2-O 3.28Å; F102-C193 WeakPolarHBondContact CE2-O 3.36Å; C114-C193 PolarHBondContact SG-SG 2.82Å; V117-C193 HydrophobicContact CG1-CB 3.75Å; Y118-C193 HydrophobicContact CE1-CB 4.47Å; Y118-C193 PolarHBondContact OH-SG 2.7Å; E188-C193 PolarHBondContact OE1-N 3.16Å; G191-C193 PolarHBondContact O-N 2.93Å; G191-C193 VanDerWaalsContact O-N 3.09Å
194	L	95.2	Very high	93.6	Very high	15 Å²	15	51.3 Å²	51.3	8%	0.079	29%	0.289	C	S	.	.	S	Bend	trans	-112	152.3	170.7	-67.5	171.4	0	0	0	110.3	F102 K110 Y113 L187 E188	F102-L194 HydrophobicContact CD2-CD2 4.21Å; K110-L194 HydrophobicContact CB-CD1 4.1Å; K110-L194 HydrophobicContact CD-CD1 3.88Å; K110-L194 HydrophobicContact CG-CD1 3.96Å; Y113-L194 HydrophobicContact CD1-CD2 3.72Å; Y113-L194 HydrophobicContact CE1-CD2 3.73Å; L187-L194 HydrophobicContact CD2-CD1 4Å; E188-L194 PolarHBondContact OE1-N 3.4Å
195	P	94.4	Very high	93.5	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.071	29%	0.291	C	S	.	.			trans	-75.4	145.7	177	31.5	-32.1	0	0	0	110.7	F67 F102 L103 I200	F67-P195 HydrophobicContact CB-CB 4.14Å; F67-P195 HydrophobicContact CD1-CB 3.53Å; F67-P195 HydrophobicContact CD1-CG 4.24Å; F67-P195 HydrophobicContact CE1-CB 4.26Å; F67-P195 HydrophobicContact CG-CB 4.1Å; F102-P195 HydrophobicContact CD1-CB 4.47Å; F102-P195 HydrophobicContact CD1-CG 3.59Å; F102-P195 HydrophobicContact CE1-CB 3.96Å; F102-P195 HydrophobicContact CE1-CG 3.53Å; F102-P195 HydrophobicContact CG-CG 4.18Å; F102-P195 HydrophobicContact CZ-CB 4.4Å; F102-P195 HydrophobicContact CZ-CG 4.07Å; F102-P195 WeakPolarHBondContact O-CD 3.43Å; F102-P195 VanDerWaalsContact O-CG 3.3Å; F102-P195 WeakPolarHBondContact O-CG 3.4Å; L103-P195 HydrophobicContact CD2-CG 4.38Å; P195-I200 HydrophobicContact CB-CG1 3.95Å; P195-I200 HydrophobicContact CG-CD1 3.96Å; P195-I200 HydrophobicContact CG-CG1 3.6Å; P195-I200 WeakPolarHBondContact O-CD1 3.34Å
196	D	93.8	Very high	93.4	Very high	82 Å²	82	51 Å²	51	44%	0.439	28%	0.28	S	S	.	.			trans	-70.6	160.7	174.2	75	76.5	0	0	0	111.9	K198 S199 I200	D196-K198 VanDerWaalsContact C-N 3.27Å; D196-K198 PolarHBondContact O-N 3.12Å; D196-K198 WeakPolarHBondContact OD1-CA 3.46Å; D196-K198 WeakPolarHBondContact OD1-CB 3.44Å; D196-K198 PolarHBondContact OD1-N 3.47Å; D196-S199 PolarHBondContact O-N 3.18Å; D196-S199 VanDerWaalsContact O-N 3.16Å; D196-S199 PolarHBondContact OD1-N 3.13Å; D196-S199 PolarHBondContact OD1-OG 2.81Å; D196-S199 WeakPolarHBondContact OD2-CB 3.47Å; D196-S199 PolarHBondContact OD2-OG 3.44Å; D196-I200 WeakPolarHBondContact O-CG1 3.3Å; D196-I200 PolarHBondContact O-N 2.67Å
197	A	93.4	Very high	93.2	Very high	70 Å²	70	50.2 Å²	50.2	58%	0.579	28%	0.278	S	S	*	.	H	α-helix	trans	-59.5	-33.7	-176.3	0	0	0	0	0	114	L201	A197-L201 WeakPolarHBondContact O-CB 3.49Å; A197-L201 WeakPolarHBondContact O-CD1 3.32Å; A197-L201 VanDerWaalsContact O-CG 3.25Å; A197-L201 WeakPolarHBondContact O-CG 3.2Å; A197-L201 PolarHBondContact O-N 3.49Å
198	K	95.1	Very high	93	Very high	170 Å²	170	49.9 Å²	49.9	74%	0.739	28%	0.276	S	S	*	.	H	α-helix	trans	-70.7	-42.8	178.7	179.5	-169.9	175.4	-171.5	0	110.2	D196 L201 A202	D196-K198 VanDerWaalsContact C-N 3.27Å; D196-K198 PolarHBondContact O-N 3.12Å; D196-K198 WeakPolarHBondContact OD1-CA 3.46Å; D196-K198 WeakPolarHBondContact OD1-CB 3.44Å; D196-K198 PolarHBondContact OD1-N 3.47Å; K198-L201 PolarHBondContact O-N 2.68Å; K198-A202 WeakPolarHBondContact O-CB 3.32Å; K198-A202 PolarHBondContact O-N 3.01Å
199	S	94.8	Very high	92.3	Very high	20 Å²	20	52 Å²	52	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-41.9	176	-62.6	0	0	0	0	111.8	D196 A202 F203	D196-S199 PolarHBondContact O-N 3.18Å; D196-S199 VanDerWaalsContact O-N 3.16Å; D196-S199 PolarHBondContact OD1-N 3.13Å; D196-S199 PolarHBondContact OD1-OG 2.81Å; D196-S199 WeakPolarHBondContact OD2-CB 3.47Å; D196-S199 PolarHBondContact OD2-OG 3.44Å; S199-A202 PolarHBondContact O-N 3.06Å; S199-F203 WeakPolarHBondContact O-CB 3.42Å; S199-F203 PolarHBondContact O-N 2.97Å
200	I	95.1	Very high	91	Very high	24 Å²	24	55.8 Å²	55.8	12%	0.123	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-53.1	173.1	-66.6	163.6	0	0	0	110.5	L103 P195 D196 A202 F203 E204	L103-I200 HydrophobicContact CB-CG2 4.39Å; L103-I200 HydrophobicContact CD2-CG1 4.1Å; L103-I200 HydrophobicContact CD2-CG2 4.34Å; P195-I200 HydrophobicContact CB-CG1 3.95Å; P195-I200 HydrophobicContact CG-CD1 3.96Å; P195-I200 HydrophobicContact CG-CG1 3.6Å; P195-I200 WeakPolarHBondContact O-CD1 3.34Å; D196-I200 WeakPolarHBondContact O-CG1 3.3Å; D196-I200 PolarHBondContact O-N 2.67Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 3.33Å; I200-F203 PolarHBondContact O-N 3.46Å; I200-F203 VanDerWaalsContact O-N 3.16Å; I200-E204 HydrophobicContact CG2-CG 4.22Å; I200-E204 WeakPolarHBondContact O-CG 3.48Å; I200-E204 PolarHBondContact O-N 2.77Å
201	L	94	Very high	89.6	Confident	97 Å²	97	57.7 Å²	57.7	51%	0.508	31%	0.313	S	S	.	.	H	α-helix	trans	-58.1	-44.2	-179.1	-78.6	163.1	0	0	0	112.1	A197 K198 E204 Q205	A197-L201 WeakPolarHBondContact O-CB 3.49Å; A197-L201 WeakPolarHBondContact O-CD1 3.32Å; A197-L201 VanDerWaalsContact O-CG 3.25Å; A197-L201 WeakPolarHBondContact O-CG 3.2Å; A197-L201 PolarHBondContact O-N 3.49Å; K198-L201 PolarHBondContact O-N 2.68Å; L201-E204 PolarHBondContact O-N 3.18Å; L201-Q205 WeakPolarHBondContact O-CB 3.35Å; L201-Q205 WeakPolarHBondContact O-CG 3.29Å; L201-Q205 PolarHBondContact O-N 3Å
202	A	94.3	Very high	87.7	Confident	54 Å²	54	63.8 Å²	63.8	45%	0.446	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-41.6	177.9	0	0	0	0	0	111.9	K198 S199 I200 H206	K198-A202 WeakPolarHBondContact O-CB 3.32Å; K198-A202 PolarHBondContact O-N 3.01Å; S199-A202 PolarHBondContact O-N 3.06Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 3.33Å; A202-H206 PolarHBondContact O-N 3.15Å; A202-H206 VanDerWaalsContact O-N 3.16Å
203	F	95	Very high	85.4	Confident	12 Å²	12	67.1 Å²	67.1	5%	0.053	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-49.6	175.5	-179.9	-94.5	0	0	0	111.8	L34 L37 T66 F67 W95 L99 L103 S199 I200 Q205 H206 A207	L34-F203 HydrophobicContact CD2-CE1 4.04Å; L34-F203 HydrophobicContact CD2-CZ 4.23Å; L37-F203 HydrophobicContact CD2-CE2 3.63Å; L37-F203 HydrophobicContact CD2-CZ 3.48Å; L37-F203 VanDerWaalsContact CD2-CZ 3.48Å; T66-F203 HydrophobicContact CG2-CB 4.28Å; T66-F203 HydrophobicContact CG2-CD2 3.43Å; T66-F203 VanDerWaalsContact CG2-CD2 3.43Å; T66-F203 HydrophobicContact CG2-CE2 4.18Å; T66-F203 HydrophobicContact CG2-CG 4.28Å; F67-F203 HydrophobicContact CE1-CB 3.94Å; F67-F203 HydrophobicContact CE1-CD2 4.28Å; F67-F203 HydrophobicContact CE1-CG 4.03Å; F67-F203 HydrophobicContact CZ-CB 4.33Å; F67-F203 HydrophobicContact CZ-CD1 4.41Å; F67-F203 AromaticContact CZ-CD2 3.83Å; F67-F203 HydrophobicContact CZ-CD2 3.83Å; F67-F203 HydrophobicContact CZ-CE2 4.14Å; F67-F203 AromaticContact CZ-CG 3.92Å; F67-F203 HydrophobicContact CZ-CG 3.92Å; W95-F203 HydrophobicContact CZ2-CZ 4.23Å; L99-F203 HydrophobicContact CD1-CE1 4.13Å; L99-F203 HydrophobicContact CD1-CZ 3.92Å; L103-F203 HydrophobicContact CD1-CD1 3.49Å; L103-F203 VanDerWaalsContact CD1-CD1 3.49Å; L103-F203 HydrophobicContact CD1-CE1 3.51Å; L103-F203 HydrophobicContact CD2-CD1 4.27Å; S199-F203 WeakPolarHBondContact O-CB 3.42Å; S199-F203 PolarHBondContact O-N 2.97Å; I200-F203 PolarHBondContact O-N 3.46Å; I200-F203 VanDerWaalsContact O-N 3.16Å; F203-Q205 VanDerWaalsContact C-N 3.35Å; F203-Q205 PolarHBondContact O-N 3.36Å; F203-H206 PolarHBondContact O-N 2.72Å; F203-H206 VanDerWaalsContact O-N 3.1Å; F203-A207 HydrophobicContact CD1-CB 4.28Å; F203-A207 HydrophobicContact CE1-CB 3.94Å; F203-A207 HydrophobicContact CZ-CB 4.27Å; F203-A207 WeakPolarHBondContact O-CB 3.37Å; F203-A207 PolarHBondContact O-N 3.1Å
204	E	94.3	Very high	82.8	Confident	40 Å²	40	78.1 Å²	78.1	19%	0.187	40%	0.404	C	S	.	.	H	α-helix	trans	-63	-41.3	-179.2	-70.3	-159.8	148.3	0	0	111.9	R104 I200 L201 H206 A207 F208	R104-E204 IonicContact CZ-OE1 2.68Å; R104-E204 VanDerWaalsContact CZ-OE1 3.31Å; R104-E204 IonicContact NE-OE1 3.16Å; R104-E204 PolarHBondContact NE-OE1 3.01Å; R104-E204 IonicContact NH2-OE1 3.53Å; R104-E204 PolarHBondContact NH2-OE1 3.09Å; R104-E204 VanDerWaalsContact NH2-OE1 3.09Å; R104-E204 IonicContact NH2-OE2 2.73Å; I200-E204 HydrophobicContact CG2-CG 4.22Å; I200-E204 WeakPolarHBondContact O-CG 3.48Å; I200-E204 PolarHBondContact O-N 2.77Å; L201-E204 PolarHBondContact O-N 3.18Å; E204-H206 PolarHBondContact O-N 3.48Å; E204-A207 PolarHBondContact O-N 3.37Å; E204-F208 HydrophobicContact CB-CD2 3.84Å; E204-F208 HydrophobicContact CB-CE2 4.19Å; E204-F208 HydrophobicContact CG-CD2 4.06Å; E204-F208 HydrophobicContact CG-CE2 3.89Å; E204-F208 WeakPolarHBondContact O-CA 3.45Å; E204-F208 VanDerWaalsContact O-CB 3.26Å; E204-F208 WeakPolarHBondContact O-CB 3.2Å; E204-F208 PolarHBondContact O-N 3.45Å
205	Q	92.1	Very high	82.2	Confident	119 Å²	119	81.3 Å²	81.3	56%	0.556	42%	0.421	S	S	*	.	H	α-helix	trans	-59.8	-35.3	174.3	-77.2	175.3	-2	0	0	112.2	L201 F203 Q209	L201-Q205 WeakPolarHBondContact O-CB 3.35Å; L201-Q205 WeakPolarHBondContact O-CG 3.29Å; L201-Q205 PolarHBondContact O-N 3Å; F203-Q205 VanDerWaalsContact C-N 3.35Å; F203-Q205 PolarHBondContact O-N 3.36Å; Q205-Q209 WeakPolarHBondContact O-CB 3.09Å; Q205-Q209 VanDerWaalsContact O-CD 3.31Å; Q205-Q209 WeakPolarHBondContact O-CG 3.41Å; Q205-Q209 PolarHBondContact O-NE2 3.07Å
206	H	90.5	Very high	81.6	Confident	117 Å²	117	85 Å²	85	54%	0.542	44%	0.439	S	S	.	.	H	α-helix	trans	-77.8	-46.2	176.7	-178.2	54.1	0	0	0	112.5	A202 F203 E204	A202-H206 PolarHBondContact O-N 3.15Å; A202-H206 VanDerWaalsContact O-N 3.16Å; F203-H206 PolarHBondContact O-N 2.72Å; F203-H206 VanDerWaalsContact O-N 3.1Å; E204-H206 PolarHBondContact O-N 3.48Å
207	A	90.6	Very high	80.9	Confident	13 Å²	13	85.2 Å²	85.2	11%	0.107	44%	0.439	C	S	.	.	H	α-helix	trans	-72	-33.5	-175.1	0	0	0	0	0	112.7	C33 L34 L37 F203 E204	C33-A207 VanDerWaalsContact CB-O 3.3Å; C33-A207 WeakPolarHBondContact CB-O 3.26Å; L34-A207 HydrophobicContact CD2-CB 4.37Å; L37-A207 HydrophobicContact CD2-CB 4.21Å; F203-A207 HydrophobicContact CD1-CB 4.28Å; F203-A207 HydrophobicContact CE1-CB 3.94Å; F203-A207 HydrophobicContact CZ-CB 4.27Å; F203-A207 WeakPolarHBondContact O-CB 3.37Å; F203-A207 PolarHBondContact O-N 3.1Å; E204-A207 PolarHBondContact O-N 3.37Å
208	F	91.6	Very high	80.2	Confident	8 Å²	8	86.1 Å²	86.1	4%	0.035	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	20.8	-171.9	-53.9	-45.4	0	0	0	113	F26 E30 C33 L34 E204 D210 T211	F26-F208 HydrophobicContact CD1-CZ 4.15Å; F26-F208 HydrophobicContact CE1-CE2 4.22Å; F26-F208 AromaticContact CE1-CZ 3.86Å; F26-F208 HydrophobicContact CE1-CZ 3.86Å; E30-F208 HydrophobicContact CB-CD1 4.19Å; E30-F208 HydrophobicContact CB-CE1 3.7Å; E30-F208 HydrophobicContact CB-CZ 4.16Å; E30-F208 HydrophobicContact CG-CD1 4.09Å; E30-F208 HydrophobicContact CG-CE1 4.02Å; E30-F208 HydrophobicContact CG-CZ 4.4Å; C33-F208 HydrophobicContact CB-CD1 3.93Å; C33-F208 HydrophobicContact CB-CE1 4.2Å; L34-F208 HydrophobicContact CD1-CZ 4.29Å; L34-F208 HydrophobicContact CD2-CE1 3.92Å; L34-F208 HydrophobicContact CD2-CZ 3.87Å; L34-F208 HydrophobicContact CG-CE1 3.89Å; L34-F208 HydrophobicContact CG-CZ 4.04Å; E204-F208 HydrophobicContact CB-CD2 3.84Å; E204-F208 HydrophobicContact CB-CE2 4.19Å; E204-F208 HydrophobicContact CG-CD2 4.06Å; E204-F208 HydrophobicContact CG-CE2 3.89Å; E204-F208 WeakPolarHBondContact O-CA 3.45Å; E204-F208 VanDerWaalsContact O-CB 3.26Å; E204-F208 WeakPolarHBondContact O-CB 3.2Å; E204-F208 PolarHBondContact O-N 3.45Å; F208-D210 VanDerWaalsContact C-N 3.31Å; F208-D210 PolarHBondContact O-N 3.18Å; F208-T211 VanDerWaalsContact C-OG1 3.3Å; F208-T211 WeakPolarHBondContact CA-OG1 3.38Å; F208-T211 VanDerWaalsContact CB-OG1 3.29Å; F208-T211 WeakPolarHBondContact CB-OG1 3.19Å; F208-T211 PolarHBondContact O-N 3.15Å; F208-T211 VanDerWaalsContact O-N 3.1Å; F208-T211 PolarHBondContact O-OG1 3.45Å
209	Q	78.6	Confident	79.2	Confident	111 Å²	111	80.8 Å²	80.8	52%	0.519	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-51.6	-48.2	178.7	-121.9	153.9	54.5	0	0	112	Q205 T211 L212	Q205-Q209 WeakPolarHBondContact O-CB 3.09Å; Q205-Q209 VanDerWaalsContact O-CD 3.31Å; Q205-Q209 WeakPolarHBondContact O-CG 3.41Å; Q205-Q209 PolarHBondContact O-NE2 3.07Å; Q209-T211 VanDerWaalsContact C-N 3.25Å; Q209-T211 PolarHBondContact O-N 2.79Å; Q209-L212 PolarHBondContact O-N 3.1Å
210	D	64.3	Low	78.2	Confident	111 Å²	111	84.9 Å²	84.9	59%	0.594	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-69.6	-17.3	-178.1	-64.2	-15.2	0	0	0	114.2	F208	F208-D210 VanDerWaalsContact C-N 3.31Å; F208-D210 PolarHBondContact O-N 3.18Å
211	T	60.7	Low	77	Confident	41 Å²	41	89.2 Å²	89.2	25%	0.252	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-88.8	-14	179.6	27.2	0	0	0	0	113.8	T29 F208 Q209	T29-T211 HydrophobicContact CG2-CG2 3.23Å; F208-T211 VanDerWaalsContact C-OG1 3.3Å; F208-T211 WeakPolarHBondContact CA-OG1 3.38Å; F208-T211 VanDerWaalsContact CB-OG1 3.29Å; F208-T211 WeakPolarHBondContact CB-OG1 3.19Å; F208-T211 PolarHBondContact O-N 3.15Å; F208-T211 VanDerWaalsContact O-N 3.1Å; F208-T211 PolarHBondContact O-OG1 3.45Å; Q209-T211 VanDerWaalsContact C-N 3.25Å; Q209-T211 PolarHBondContact O-N 2.79Å
212	L	50.3	Low	75.7	Confident	132 Å²	132	88.6 Å²	88.6	69%	0.691	45%	0.447	S	S	*	.	S	Bend	trans	-92	-7.7	-177.9	-68.6	166.8	0	0	0	113	Q209	Q209-L212 PolarHBondContact O-N 3.1Å
213	E	43.6	Very low	74.1	Confident	162 Å²	162	91.5 Å²	91.5	76%	0.757	45%	0.447	S	S	*	.			trans	-95.7	2.5	-177.2	-66.7	-166.1	148.7	0	0	114.6
214	H	38.1	Very low	72.2	Confident	232 Å²	232	98.7 Å²	98.7	100%	1.074	48%	0.483	S	S	*	.			trans	-130.1	0	178.9	-70.5	2	0	0	0	111.6

Retrieved 214 of 214 residues in 201.9 ms (Link to these results)

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