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Gap junction protein

One gap junction consists of a cluster of closely packed pairs of transmembrane channels, the connexons, through which materials of low MW diffuse from one cell to a neighboring cell. Structural component of the gap junction, a specialized intercellular structure consisting of a cluster of closely packed pairs of transmembrane channels, the connexons, that allow passage of small molecules and electrical signals between neighboring cells. Forms homotypic and heterotypic channels gated by transjunctional voltage. Involved in intercellular innate immune signaling. Mediates translocation of 2',3'-cGAMP and 2',5'-oligoadenylates (2-5A) second messengers from virus-infected cells to macrophages and uninfected neighboring cells to propagate and amplify the antiviral immune response.

AlphaFold DB (P36382), UniProt , Accession X5D2H9, Species HUMAN (Homo sapiens, Human), Gene GJA5, Length 358 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	41.1	Very low	59.3	Low	237 Å²	237	103.9 Å²	103.9	100%	1.167	55%	0.553	S	S	*	*				0	108.8	0	-73	165	174.5	0	0	106
2	G	53.2	Low	59.8	Low	57 Å²	57	105.4 Å²	105.4	59%	0.588	56%	0.555	S	S	*	*			trans	-72.3	133.7	-178.3	0	0	0	0	0	110.3	W4	G2-W4 VanDerWaalsContact C-N 3.29Å; G2-W4 PolarHBondContact O-N 3.45Å
3	D	56.6	Low	60.1	Low	130 Å²	130	101.8 Å²	101.8	70%	0.695	53%	0.533	S	S	*	.			trans	-69.9	81	-178.6	-75.9	-40.3	0	0	0	111.7	S5 F6	D3-S5 PolarHBondContact O-N 3.06Å; D3-F6 PolarHBondContact O-N 3.36Å
4	W	63.7	Low	59.9	Low	176 Å²	176	96.3 Å²	96.3	67%	0.667	51%	0.506	S	S	*	.	H	α-helix	trans	-61.9	-17.5	169.9	-61.3	105.2	0	0	0	112.6	G2 F6 L7 G8 M34	G2-W4 VanDerWaalsContact C-N 3.29Å; G2-W4 PolarHBondContact O-N 3.45Å; W4-F6 VanDerWaalsContact C-N 3.34Å; W4-F6 PolarHBondContact O-N 2.95Å; W4-L7 HydrophobicContact CE3-CD1 3.65Å; W4-L7 HydrophobicContact CZ3-CD1 3.87Å; W4-L7 PolarHBondContact O-N 3.28Å; W4-G8 PolarHBondContact O-N 3.24Å; W4-M34 HydrophobicContact CZ3-SD 4.24Å
5	S	59.9	Low	59.8	Low	72 Å²	72	95 Å²	95	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-62	-37.9	175.3	56.3	0	0	0	0	112.6	D3 G8 N9	D3-S5 PolarHBondContact O-N 3.06Å; S5-G8 PolarHBondContact O-N 3.02Å; S5-N9 VanDerWaalsContact O-CG 3.31Å; S5-N9 PolarHBondContact O-N 3.09Å; S5-N9 PolarHBondContact O-ND2 2.99Å
6	F	61.1	Low	60	Low	147 Å²	147	96.4 Å²	96.4	65%	0.645	50%	0.497	S	S	*	.	H	α-helix	trans	-66.8	-42.3	177.4	-175.6	-98.5	0	0	0	111.3	D3 W4 G8 F10	D3-F6 PolarHBondContact O-N 3.36Å; W4-F6 VanDerWaalsContact C-N 3.34Å; W4-F6 PolarHBondContact O-N 2.95Å; F6-G8 VanDerWaalsContact C-N 3.34Å; F6-F10 WeakPolarHBondContact O-CB 3.32Å; F6-F10 PolarHBondContact O-N 3.47Å
7	L	61.4	Low	59.7	Low	68 Å²	68	93.6 Å²	93.6	36%	0.356	48%	0.481	S	S	.	.	H	α-helix	trans	-63.3	-41.3	174.8	-74.4	165.2	0	0	0	111.2	W4 F10 L11	W4-L7 HydrophobicContact CE3-CD1 3.65Å; W4-L7 HydrophobicContact CZ3-CD1 3.87Å; W4-L7 PolarHBondContact O-N 3.28Å; L7-F10 PolarHBondContact O-N 3.05Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 3.17Å
8	G	63.5	Low	59.5	Low	35 Å²	35	89.2 Å²	89.2	36%	0.361	46%	0.46	S	S	.	.	H	α-helix	trans	-60.2	-54.5	175.6	0	0	0	0	0	112.9	W4 S5 F6 F10 L11 E12	W4-G8 PolarHBondContact O-N 3.24Å; S5-G8 PolarHBondContact O-N 3.02Å; F6-G8 VanDerWaalsContact C-N 3.34Å; G8-F10 VanDerWaalsContact C-N 3.25Å; G8-F10 PolarHBondContact O-N 2.95Å; G8-L11 PolarHBondContact O-N 3.49Å; G8-E12 PolarHBondContact O-N 3.02Å
9	N	65.3	Low	59.4	Low	107 Å²	107	86.3 Å²	86.3	57%	0.572	45%	0.446	S	S	*	.	H	α-helix	trans	-61.2	-36.7	179.3	-68.9	-15.8	0	0	0	111.9	S5 E12 E13	S5-N9 VanDerWaalsContact O-CG 3.31Å; S5-N9 PolarHBondContact O-N 3.09Å; S5-N9 PolarHBondContact O-ND2 2.99Å; N9-E12 PolarHBondContact O-N 3.22Å; N9-E13 PolarHBondContact O-N 3.39Å; N9-E13 VanDerWaalsContact O-N 3.1Å
10	F	62.9	Low	59.6	Low	75 Å²	75	87.4 Å²	87.4	33%	0.329	46%	0.457	S	S	.	.	H	α-helix	trans	-71.5	-40.3	178.4	-179.8	-105.7	0	0	0	112.3	F6 L7 G8 E12 E13 V14 L90	F6-F10 WeakPolarHBondContact O-CB 3.32Å; F6-F10 PolarHBondContact O-N 3.47Å; L7-F10 PolarHBondContact O-N 3.05Å; G8-F10 VanDerWaalsContact C-N 3.25Å; G8-F10 PolarHBondContact O-N 2.95Å; F10-E12 VanDerWaalsContact C-N 3.29Å; F10-E12 PolarHBondContact O-N 3.46Å; F10-E13 PolarHBondContact O-N 3.33Å; F10-V14 HydrophobicContact CD1-CG2 4.24Å; F10-V14 HydrophobicContact CE1-CG2 3.99Å; F10-V14 HydrophobicContact CE2-CG2 4.37Å; F10-V14 HydrophobicContact CZ-CG2 4.04Å; F10-V14 WeakPolarHBondContact O-CB 3.49Å; F10-V14 WeakPolarHBondContact O-CG2 3.5Å; F10-V14 PolarHBondContact O-N 3.42Å; F10-L90 HydrophobicContact CD1-CD2 4.46Å; F10-L90 HydrophobicContact CE1-CD1 3.56Å; F10-L90 HydrophobicContact CE1-CD2 3.27Å; F10-L90 HydrophobicContact CE1-CG 3.93Å; F10-L90 HydrophobicContact CZ-CB 4.25Å; F10-L90 HydrophobicContact CZ-CD1 3.84Å; F10-L90 HydrophobicContact CZ-CD2 3.61Å; F10-L90 HydrophobicContact CZ-CG 4.06Å
11	L	63.6	Low	59.7	Low	39 Å²	39	88.2 Å²	88.2	20%	0.204	47%	0.465	C	S	.	.	H	α-helix	trans	-59.2	-43.5	172	-76.1	170.9	0	0	0	110.8	L7 G8 E13 V14 H15 F30	L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 3.17Å; G8-L11 PolarHBondContact O-N 3.49Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 2.69Å; L11-V14 WeakPolarHBondContact O-CB 3.47Å; L11-V14 PolarHBondContact O-N 3.35Å; L11-H15 PolarHBondContact O-CD2 2.86Å; L11-H15 PolarHBondContact O-N 3.27Å; L11-F30 HydrophobicContact CD1-CD1 4.11Å; L11-F30 HydrophobicContact CD1-CE1 3.96Å; L11-F30 HydrophobicContact CD2-CD1 3.89Å; L11-F30 HydrophobicContact CD2-CE1 3.99Å; L11-F30 HydrophobicContact CG-CE1 4.43Å
12	E	65.4	Low	60.7	Low	122 Å²	122	77.1 Å²	77.1	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-62.5	-38.1	178.6	-165.3	173	-172.7	0	0	112.7	G8 N9 F10 H15	G8-E12 PolarHBondContact O-N 3.02Å; N9-E12 PolarHBondContact O-N 3.22Å; F10-E12 VanDerWaalsContact C-N 3.29Å; F10-E12 PolarHBondContact O-N 3.46Å; E12-H15 WeakPolarHBondContact O-CB 3.44Å; E12-H15 PolarHBondContact O-N 3.04Å
13	E	63.3	Low	61.1	Low	58 Å²	58	76.1 Å²	76.1	27%	0.271	39%	0.391	S	S	.	.	H	α-helix	trans	-71	-37.7	175	-168	66.6	-177.5	0	0	112.1	N9 F10 L11 H15 K16 M97 R101	N9-E13 PolarHBondContact O-N 3.39Å; N9-E13 VanDerWaalsContact O-N 3.1Å; F10-E13 PolarHBondContact O-N 3.33Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 2.69Å; E13-H15 PolarHBondContact O-N 2.96Å; E13-K16 PolarHBondContact O-N 3.4Å; E13-K16 IonicContact OE2-NZ 2.91Å; E13-K16 PolarHBondContact OE2-NZ 3.05Å; E13-M97 HydrophobicContact CG-CE 3.68Å; E13-M97 WeakPolarHBondContact OE1-CE 3.44Å; E13-R101 IonicContact OE1-NH2 3.91Å
14	V	57.1	Low	61.7	Low	25 Å²	25	73.6 Å²	73.6	15%	0.152	38%	0.38	C	S	.	.	H	α-helix	trans	-61.8	-31.6	172.6	169.2	0	0	0	0	111	F10 L11 K16 L90 M93	F10-V14 HydrophobicContact CD1-CG2 4.24Å; F10-V14 HydrophobicContact CE1-CG2 3.99Å; F10-V14 HydrophobicContact CE2-CG2 4.37Å; F10-V14 HydrophobicContact CZ-CG2 4.04Å; F10-V14 WeakPolarHBondContact O-CB 3.49Å; F10-V14 WeakPolarHBondContact O-CG2 3.5Å; F10-V14 PolarHBondContact O-N 3.42Å; L11-V14 WeakPolarHBondContact O-CB 3.47Å; L11-V14 PolarHBondContact O-N 3.35Å; V14-K16 VanDerWaalsContact C-N 3.27Å; V14-K16 PolarHBondContact O-N 3.03Å; V14-L90 HydrophobicContact CG2-CD2 4.42Å; V14-M93 HydrophobicContact CB-CE 4.3Å; V14-M93 HydrophobicContact CG1-CE 3.73Å; V14-M93 HydrophobicContact CG2-CG 4.16Å; V14-M93 WeakPolarHBondContact O-CE 3.07Å
15	H	59.7	Low	62.1	Low	77 Å²	77	71.1 Å²	71.1	36%	0.356	37%	0.371	S	S	.	.	H	α-helix	trans	-67.4	-19.9	176.5	-85.5	-78.7	0	0	0	114.3	L11 E12 E13 K23 T27	L11-H15 PolarHBondContact O-CD2 2.86Å; L11-H15 PolarHBondContact O-N 3.27Å; E12-H15 WeakPolarHBondContact O-CB 3.44Å; E12-H15 PolarHBondContact O-N 3.04Å; E13-H15 PolarHBondContact O-N 2.96Å; H15-K23 WeakPolarHBondContact O-CE 3.12Å; H15-K23 PolarHBondContact O-NZ 3.08Å; H15-T27 WeakPolarHBondContact CE1-CB 3.43Å; H15-T27 WeakPolarHBondContact CE1-CG2 3.49Å; H15-T27 PolarHBondContact CE1-OG1 2.72Å; H15-T27 VanDerWaalsContact CE1-OG1 3.25Å; H15-T27 WeakPolarHBondContact NE2-CG2 3.37Å
16	K	62.2	Low	62.5	Low	118 Å²	118	70 Å²	70	51%	0.513	36%	0.359	S	S	.	.	H	α-helix	trans	-77.4	-33.4	-177.1	-68.6	175.9	-167.7	155.2	0	113.2	E13 V14 K23	E13-K16 PolarHBondContact O-N 3.4Å; E13-K16 IonicContact OE2-NZ 2.91Å; E13-K16 PolarHBondContact OE2-NZ 3.05Å; V14-K16 VanDerWaalsContact C-N 3.27Å; V14-K16 PolarHBondContact O-N 3.03Å; K16-K23 VanDerWaalsContact C-NZ 3.28Å; K16-K23 PolarHBondContact O-NZ 3.44Å
17	H	55.4	Low	63.1	Low	49 Å²	49	63.8 Å²	63.8	23%	0.227	33%	0.333	C	S	.	.	H	α-helix	trans	-112.3	-12.6	-161.6	-65.4	-68.1	0	0	0	120	M93 M97 W136	H17-M93 HydrophobicContact CB-SD 3.73Å; H17-M97 HydrophobicContact CB-CG 4.41Å; H17-W136 AromaticContact ND1-CH2 3.63Å; H17-W136 AromaticContact ND1-CZ2 3.62Å
18	S	55.1	Low	63.9	Low	14 Å²	14	64.3 Å²	64.3	10%	0.098	34%	0.339	C	S	.	.	S	Bend	trans	-86.5	179.1	178	177.9	0	0	0	0	116.7	K23 I143	S18-K23 VanDerWaalsContact CB-CG 3.47Å; S18-K23 WeakPolarHBondContact O-CD 3.44Å; S18-K23 WeakPolarHBondContact O-CE 3.26Å; S18-K23 PolarHBondContact O-NZ 3.42Å; S18-I143 WeakPolarHBondContact O-CD1 3.49Å
19	T	59	Low	64.8	Low	34 Å²	34	63.2 Å²	63.2	21%	0.209	33%	0.325	C	S	.	.			trans	-78	145.4	-179.6	63.6	0	0	0	0	112.5	V21 G22 K23 I143 L145	T19-V21 VanDerWaalsContact C-N 3.32Å; T19-V21 PolarHBondContact O-N 3.37Å; T19-G22 PolarHBondContact O-N 3.48Å; T19-K23 WeakPolarHBondContact O-CB 3.06Å; T19-K23 WeakPolarHBondContact O-CG 3.43Å; T19-K23 PolarHBondContact O-N 2.97Å; T19-I143 HydrophobicContact CG2-CD1 4.38Å; T19-L145 HydrophobicContact CG2-CD1 3.92Å
20	V	62.1	Low	65.5	Low	107 Å²	107	60 Å²	60	65%	0.648	31%	0.306	S	S	*	.	H	α-helix	trans	-54.1	-43.2	-170.7	179.2	0	0	0	0	113.2	V24	V20-V24 VanDerWaalsContact O-CG2 3.24Å; V20-V24 WeakPolarHBondContact O-CG2 3.42Å; V20-V24 PolarHBondContact O-N 3.39Å
21	V	61.2	Low	66.5	Low	105 Å²	105	60.7 Å²	60.7	64%	0.636	31%	0.312	S	S	*	.	H	α-helix	trans	-75.3	-50.3	-175.3	-175.6	0	0	0	0	111.2	T19 K23 V24 W25	T19-V21 VanDerWaalsContact C-N 3.32Å; T19-V21 PolarHBondContact O-N 3.37Å; V21-K23 VanDerWaalsContact C-N 3.31Å; V21-K23 PolarHBondContact O-N 3.3Å; V21-V24 PolarHBondContact O-N 3.2Å; V21-W25 VanDerWaalsContact O-CD1 3.25Å; V21-W25 PolarHBondContact O-N 2.95Å
22	G	63.6	Low	67.5	Low	5 Å²	5	62.8 Å²	62.8	5%	0.052	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-35.9	177.9	0	0	0	0	0	112.7	T19 L26	T19-G22 PolarHBondContact O-N 3.48Å; G22-L26 WeakPolarHBondContact O-CB 3.39Å; G22-L26 WeakPolarHBondContact O-CD1 3.3Å; G22-L26 VanDerWaalsContact O-CG 3.25Å; G22-L26 WeakPolarHBondContact O-CG 3.35Å; G22-L26 PolarHBondContact O-N 3.41Å
23	K	62	Low	68.7	Low	36 Å²	36	57.5 Å²	57.5	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-56.2	-55.6	174.3	-85.7	177.8	164.8	161.6	0	112.2	H15 K16 S18 T19 V21 T27	H15-K23 WeakPolarHBondContact O-CE 3.12Å; H15-K23 PolarHBondContact O-NZ 3.08Å; K16-K23 VanDerWaalsContact C-NZ 3.28Å; K16-K23 PolarHBondContact O-NZ 3.44Å; S18-K23 VanDerWaalsContact CB-CG 3.47Å; S18-K23 WeakPolarHBondContact O-CD 3.44Å; S18-K23 WeakPolarHBondContact O-CE 3.26Å; S18-K23 PolarHBondContact O-NZ 3.42Å; T19-K23 WeakPolarHBondContact O-CB 3.06Å; T19-K23 WeakPolarHBondContact O-CG 3.43Å; T19-K23 PolarHBondContact O-N 2.97Å; V21-K23 VanDerWaalsContact C-N 3.31Å; V21-K23 PolarHBondContact O-N 3.3Å; K23-T27 VanDerWaalsContact O-CB 3.31Å; K23-T27 WeakPolarHBondContact O-CB 3.44Å; K23-T27 WeakPolarHBondContact O-CG2 3.03Å; K23-T27 PolarHBondContact O-N 3.35Å; K23-T27 PolarHBondContact O-OG1 3.15Å
24	V	68.6	Low	69.8	Low	76 Å²	76	56.7 Å²	56.7	46%	0.461	29%	0.291	S	S	.	.	H	α-helix	trans	-69.6	-45.6	-168.1	174.5	0	0	0	0	110.3	V20 V21 T27 V28	V20-V24 VanDerWaalsContact O-CG2 3.24Å; V20-V24 WeakPolarHBondContact O-CG2 3.42Å; V20-V24 PolarHBondContact O-N 3.39Å; V21-V24 PolarHBondContact O-N 3.2Å; V24-T27 PolarHBondContact O-OG1 3.33Å; V24-T27 VanDerWaalsContact O-OG1 3.05Å; V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 VanDerWaalsContact O-CB 3.32Å; V24-V28 WeakPolarHBondContact O-CB 3.16Å; V24-V28 WeakPolarHBondContact O-CG2 3.38Å; V24-V28 PolarHBondContact O-N 2.88Å
25	W	71.5	Confident	71.2	Confident	125 Å²	125	60.5 Å²	60.5	47%	0.473	31%	0.31	S	S	.	.	H	α-helix	trans	-70.8	-43.1	-175.5	-72.3	99.2	0	0	0	113.3	V21 T27 L29 L221	V21-W25 VanDerWaalsContact O-CD1 3.25Å; V21-W25 PolarHBondContact O-N 2.95Å; W25-T27 VanDerWaalsContact C-N 3.34Å; W25-T27 PolarHBondContact O-N 2.89Å; W25-L29 WeakPolarHBondContact O-CB 3.29Å; W25-L29 WeakPolarHBondContact O-CD1 3.34Å; W25-L29 WeakPolarHBondContact O-CG 3.23Å; W25-L29 PolarHBondContact O-N 3.43Å; W25-L221 HydrophobicContact CB-CD1 4.18Å; W25-L221 HydrophobicContact CD2-CD1 4.05Å; W25-L221 HydrophobicContact CD2-CD2 4.22Å; W25-L221 HydrophobicContact CE3-CD1 3.62Å; W25-L221 HydrophobicContact CE3-CD2 4.36Å; W25-L221 HydrophobicContact CG-CD1 4.3Å; W25-L221 HydrophobicContact CG-CD2 4.45Å; W25-L221 HydrophobicContact CZ3-CD1 4.33Å
26	L	69.6	Low	72.5	Confident	48 Å²	48	57.1 Å²	57.1	25%	0.251	30%	0.295	S	S	.	.	H	α-helix	trans	-68.1	-37	-179.2	-65.7	169.9	0	0	0	112	G22 F30	G22-L26 WeakPolarHBondContact O-CB 3.39Å; G22-L26 WeakPolarHBondContact O-CD1 3.3Å; G22-L26 VanDerWaalsContact O-CG 3.25Å; G22-L26 WeakPolarHBondContact O-CG 3.35Å; G22-L26 PolarHBondContact O-N 3.41Å; L26-F30 WeakPolarHBondContact O-CB 3.4Å; L26-F30 PolarHBondContact O-N 3Å
27	T	72.1	Confident	73.8	Confident	16 Å²	16	52.2 Å²	52.2	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-71.8	-43.6	179.2	54.9	0	0	0	0	111.2	H15 K23 V24 W25 L29 F30 I31	H15-T27 WeakPolarHBondContact CE1-CB 3.43Å; H15-T27 WeakPolarHBondContact CE1-CG2 3.49Å; H15-T27 PolarHBondContact CE1-OG1 2.72Å; H15-T27 VanDerWaalsContact CE1-OG1 3.25Å; H15-T27 WeakPolarHBondContact NE2-CG2 3.37Å; K23-T27 VanDerWaalsContact O-CB 3.31Å; K23-T27 WeakPolarHBondContact O-CB 3.44Å; K23-T27 WeakPolarHBondContact O-CG2 3.03Å; K23-T27 PolarHBondContact O-N 3.35Å; K23-T27 PolarHBondContact O-OG1 3.15Å; V24-T27 PolarHBondContact O-OG1 3.33Å; V24-T27 VanDerWaalsContact O-OG1 3.05Å; W25-T27 VanDerWaalsContact C-N 3.34Å; W25-T27 PolarHBondContact O-N 2.89Å; T27-L29 PolarHBondContact O-N 2.65Å; T27-F30 PolarHBondContact O-N 3.34Å; T27-I31 WeakPolarHBondContact O-CB 3.28Å; T27-I31 VanDerWaalsContact O-CG1 3.25Å; T27-I31 WeakPolarHBondContact O-CG1 3.46Å; T27-I31 PolarHBondContact O-N 3.39Å
28	V	78.6	Confident	75.4	Confident	79 Å²	79	51.7 Å²	51.7	48%	0.479	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-46.7	174	170.2	0	0	0	0	111	V24 F30 I31 F32	V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 VanDerWaalsContact O-CB 3.32Å; V24-V28 WeakPolarHBondContact O-CB 3.16Å; V24-V28 WeakPolarHBondContact O-CG2 3.38Å; V24-V28 PolarHBondContact O-N 2.88Å; V28-F30 VanDerWaalsContact C-N 3.35Å; V28-F30 PolarHBondContact O-N 3.08Å; V28-I31 PolarHBondContact O-N 3.32Å; V28-F32 VanDerWaalsContact O-CB 3.3Å; V28-F32 WeakPolarHBondContact O-CB 3.46Å; V28-F32 PolarHBondContact O-N 3Å
29	L	82	Confident	77	Confident	13 Å²	13	54.1 Å²	54.1	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-36.7	178.3	-68.4	169.8	0	0	0	112.4	W25 T27 F32 R33 V214 L217 L221	W25-L29 WeakPolarHBondContact O-CB 3.29Å; W25-L29 WeakPolarHBondContact O-CD1 3.34Å; W25-L29 WeakPolarHBondContact O-CG 3.23Å; W25-L29 PolarHBondContact O-N 3.43Å; T27-L29 PolarHBondContact O-N 2.65Å; L29-F32 PolarHBondContact O-N 3.08Å; L29-R33 VanDerWaalsContact O-CG 3.3Å; L29-R33 WeakPolarHBondContact O-CG 3.39Å; L29-R33 PolarHBondContact O-N 2.89Å; L29-V214 HydrophobicContact CD2-CG1 4.04Å; L29-L217 HydrophobicContact CD2-CD2 4Å; L29-L217 HydrophobicContact CD2-CG 4.35Å; L29-L221 HydrophobicContact CD1-CD1 3.76Å
30	F	81.5	Confident	78.4	Confident	40 Å²	40	52.5 Å²	52.5	18%	0.175	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-48.2	175.8	-175.6	-90.7	0	0	0	111.5	L11 L26 T27 V28 F32 R33 M34 I82	L11-F30 HydrophobicContact CD1-CD1 4.11Å; L11-F30 HydrophobicContact CD1-CE1 3.96Å; L11-F30 HydrophobicContact CD2-CD1 3.89Å; L11-F30 HydrophobicContact CD2-CE1 3.99Å; L11-F30 HydrophobicContact CG-CE1 4.43Å; L26-F30 WeakPolarHBondContact O-CB 3.4Å; L26-F30 PolarHBondContact O-N 3Å; T27-F30 PolarHBondContact O-N 3.34Å; V28-F30 VanDerWaalsContact C-N 3.35Å; V28-F30 PolarHBondContact O-N 3.08Å; F30-F32 VanDerWaalsContact C-N 3.29Å; F30-F32 PolarHBondContact O-N 3.09Å; F30-R33 PolarHBondContact O-N 3.39Å; F30-M34 HydrophobicContact CD1-CG 3.99Å; F30-M34 HydrophobicContact CE1-CG 3.61Å; F30-M34 HydrophobicContact CE1-SD 4.14Å; F30-M34 HydrophobicContact CZ-CG 4.03Å; F30-M34 HydrophobicContact CZ-SD 4.03Å; F30-M34 WeakPolarHBondContact O-CG 3.33Å; F30-M34 PolarHBondContact O-N 3.02Å; F30-I82 HydrophobicContact CD2-CG2 3.96Å; F30-I82 HydrophobicContact CE2-CG2 3.32Å; F30-I82 HydrophobicContact CZ-CG2 4.02Å
31	I	83.5	Confident	79.4	Confident	89 Å²	89	49.1 Å²	49.1	46%	0.456	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-45.2	176.9	-68.9	165.4	0	0	0	110.1	T27 V28 R33 M34 L35	T27-I31 WeakPolarHBondContact O-CB 3.28Å; T27-I31 VanDerWaalsContact O-CG1 3.25Å; T27-I31 WeakPolarHBondContact O-CG1 3.46Å; T27-I31 PolarHBondContact O-N 3.39Å; V28-I31 PolarHBondContact O-N 3.32Å; I31-R33 PolarHBondContact O-N 2.79Å; I31-M34 PolarHBondContact O-N 3.23Å; I31-L35 WeakPolarHBondContact O-CB 3.35Å; I31-L35 PolarHBondContact O-N 2.9Å
32	F	85	Confident	80.5	Confident	82 Å²	82	52.4 Å²	52.4	36%	0.36	28%	0.278	S	S	.	.	H	α-helix	trans	-62.1	-43	179.6	-164.5	-117.7	0	0	0	112.1	V28 L29 F30 L35 V36 F210 V214	V28-F32 VanDerWaalsContact O-CB 3.3Å; V28-F32 WeakPolarHBondContact O-CB 3.46Å; V28-F32 PolarHBondContact O-N 3Å; L29-F32 PolarHBondContact O-N 3.08Å; F30-F32 VanDerWaalsContact C-N 3.29Å; F30-F32 PolarHBondContact O-N 3.09Å; F32-L35 PolarHBondContact O-N 2.69Å; F32-V36 WeakPolarHBondContact O-CG2 3.46Å; F32-V36 PolarHBondContact O-N 3.43Å; F32-F210 AromaticContact CD1-CE1 3.77Å; F32-F210 HydrophobicContact CD1-CE1 3.77Å; F32-F210 HydrophobicContact CD1-CZ 4.15Å; F32-F210 HydrophobicContact CE1-CD1 4.17Å; F32-F210 AromaticContact CE1-CE1 3.06Å; F32-F210 HydrophobicContact CE1-CE1 3.06Å; F32-F210 HydrophobicContact CE1-CE2 4.07Å; F32-F210 AromaticContact CE1-CZ 3.1Å; F32-F210 HydrophobicContact CE1-CZ 3.1Å; F32-F210 HydrophobicContact CE2-CE1 4.3Å; F32-F210 AromaticContact CE2-CZ 3.79Å; F32-F210 HydrophobicContact CE2-CZ 3.79Å; F32-F210 AromaticContact CZ-CE1 3.44Å; F32-F210 HydrophobicContact CZ-CE1 3.44Å; F32-F210 VanDerWaalsContact CZ-CE1 3.44Å; F32-F210 AromaticContact CZ-CE2 3.81Å; F32-F210 HydrophobicContact CZ-CE2 3.81Å; F32-F210 AromaticContact CZ-CZ 2.92Å; F32-F210 HydrophobicContact CZ-CZ 2.92Å; F32-V214 HydrophobicContact CD1-CG1 4.18Å; F32-V214 HydrophobicContact CD1-CG2 3.46Å; F32-V214 VanDerWaalsContact CD1-CG2 3.46Å; F32-V214 HydrophobicContact CE1-CG2 3.38Å
33	R	89.5	Confident	81.5	Confident	11 Å²	11	54 Å²	54	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-44	173.4	-73.6	178.8	-172.4	-168.4	-1.4	112.4	L29 F30 I31 L37 I82 E164 M211 V214 S218	L29-R33 VanDerWaalsContact O-CG 3.3Å; L29-R33 WeakPolarHBondContact O-CG 3.39Å; L29-R33 PolarHBondContact O-N 2.89Å; F30-R33 PolarHBondContact O-N 3.39Å; I31-R33 PolarHBondContact O-N 2.79Å; R33-L37 VanDerWaalsContact O-CB 3.27Å; R33-L37 WeakPolarHBondContact O-CB 3.42Å; R33-L37 PolarHBondContact O-N 2.98Å; R33-I82 HydrophobicContact CB-CD1 3.95Å; R33-I82 HydrophobicContact CB-CG1 4.19Å; R33-E164 IonicContact CZ-OE1 3.37Å; R33-E164 IonicContact CZ-OE2 3.68Å; R33-E164 IonicContact NH1-OE1 3.27Å; R33-E164 PolarHBondContact NH1-OE1 2.94Å; R33-E164 IonicContact NH1-OE2 3.02Å; R33-E164 PolarHBondContact NH1-OE2 3.3Å; R33-E164 VanDerWaalsContact NH2-CD 3.32Å; R33-E164 IonicContact NH2-OE1 2.73Å; R33-E164 PolarHBondContact NH2-OE1 3.41Å; R33-E164 IonicContact NH2-OE2 3.36Å; R33-E164 PolarHBondContact NH2-OE2 3.5Å; R33-M211 HydrophobicContact CB-CE 4.43Å; R33-M211 HydrophobicContact CG-CE 4.28Å; R33-V214 HydrophobicContact CG-CG1 3.81Å; R33-S218 VanDerWaalsContact NH2-CB 3.34Å; R33-S218 PolarHBondContact NH2-OG 2.87Å
34	M	85.8	Confident	82.7	Confident	42 Å²	42	52.3 Å²	52.3	21%	0.207	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-43.1	177.9	-67.7	-71.5	85.2	0	0	112.1	W4 F30 I31 L37 G38 I82	W4-M34 HydrophobicContact CZ3-SD 4.24Å; F30-M34 HydrophobicContact CD1-CG 3.99Å; F30-M34 HydrophobicContact CE1-CG 3.61Å; F30-M34 HydrophobicContact CE1-SD 4.14Å; F30-M34 HydrophobicContact CZ-CG 4.03Å; F30-M34 HydrophobicContact CZ-SD 4.03Å; F30-M34 WeakPolarHBondContact O-CG 3.33Å; F30-M34 PolarHBondContact O-N 3.02Å; I31-M34 PolarHBondContact O-N 3.23Å; M34-L37 HydrophobicContact CE-CD2 3.93Å; M34-L37 PolarHBondContact O-N 2.95Å; M34-G38 PolarHBondContact O-N 3.42Å; M34-I82 HydrophobicContact CE-CB 4Å; M34-I82 HydrophobicContact CE-CD1 3.19Å; M34-I82 HydrophobicContact CE-CG1 3.97Å; M34-I82 HydrophobicContact CE-CG2 3.51Å; M34-I82 HydrophobicContact SD-CG2 4.48Å
35	L	87.1	Confident	83.8	Confident	105 Å²	105	49.1 Å²	49.1	55%	0.55	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-49.4	177.7	-174.5	156	0	0	0	110.6	I31 F32 L37 G38 T39	I31-L35 WeakPolarHBondContact O-CB 3.35Å; I31-L35 PolarHBondContact O-N 2.9Å; F32-L35 PolarHBondContact O-N 2.69Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 3.17Å; L35-G38 PolarHBondContact O-N 2.9Å; L35-T39 HydrophobicContact CD2-CG2 4.12Å; L35-T39 WeakPolarHBondContact O-CG2 3.48Å; L35-T39 PolarHBondContact O-N 3.4Å; L35-T39 PolarHBondContact O-OG1 3.26Å
36	V	87.4	Confident	84.6	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.03	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-45.6	178.7	178.3	0	0	0	0	110.7	F32 G38 T39 A40 F207 F210 M211	F32-V36 WeakPolarHBondContact O-CG2 3.46Å; F32-V36 PolarHBondContact O-N 3.43Å; V36-G38 VanDerWaalsContact C-N 3.28Å; V36-G38 PolarHBondContact O-N 3.46Å; V36-T39 WeakPolarHBondContact CA-OG1 3.38Å; V36-T39 PolarHBondContact O-N 3.33Å; V36-T39 VanDerWaalsContact O-N 3.17Å; V36-T39 PolarHBondContact O-OG1 2.9Å; V36-A40 VanDerWaalsContact O-CB 3.24Å; V36-A40 WeakPolarHBondContact O-CB 3.49Å; V36-A40 PolarHBondContact O-N 3.46Å; V36-F207 HydrophobicContact CG1-CD1 3.9Å; V36-F207 HydrophobicContact CG1-CE1 4.37Å; V36-F210 HydrophobicContact CB-CE1 4.43Å; V36-F210 HydrophobicContact CG1-CD1 4.24Å; V36-F210 HydrophobicContact CG1-CE1 4.44Å; V36-F210 HydrophobicContact CG2-CD1 3.79Å; V36-F210 HydrophobicContact CG2-CE1 3.2Å; V36-F210 HydrophobicContact CG2-CZ 4.04Å; V36-M211 HydrophobicContact CB-SD 3.91Å; V36-M211 HydrophobicContact CG1-CG 4.06Å; V36-M211 HydrophobicContact CG1-SD 3.62Å; V36-M211 HydrophobicContact CG2-SD 4.44Å
37	L	89.8	Confident	85.5	Confident	15 Å²	15	45.3 Å²	45.3	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-42.4	178.9	-172.9	71.4	0	0	0	111.5	R33 M34 L35 A41 I75 W78 V79 I82	R33-L37 VanDerWaalsContact O-CB 3.27Å; R33-L37 WeakPolarHBondContact O-CB 3.42Å; R33-L37 PolarHBondContact O-N 2.98Å; M34-L37 HydrophobicContact CE-CD2 3.93Å; M34-L37 PolarHBondContact O-N 2.95Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 3.17Å; L37-A41 WeakPolarHBondContact O-CB 3.42Å; L37-A41 PolarHBondContact O-N 2.89Å; L37-I75 HydrophobicContact CD1-CB 4.43Å; L37-I75 HydrophobicContact CD1-CD1 4.16Å; L37-I75 HydrophobicContact CD1-CG2 3.77Å; L37-W78 HydrophobicContact CD1-CB 4Å; L37-W78 HydrophobicContact CD1-CE3 4.19Å; L37-V79 HydrophobicContact CD1-CG2 4.21Å; L37-V79 HydrophobicContact CD2-CG2 3.59Å; L37-V79 HydrophobicContact CG-CG2 4.43Å; L37-I82 HydrophobicContact CD2-CD1 4.2Å
38	G	88	Confident	86.4	Confident	38 Å²	38	46 Å²	46	39%	0.392	27%	0.268	S	S	.	.	H	α-helix	trans	-60.7	-50.9	173.8	0	0	0	0	0	112.2	M34 L35 V36 E42	M34-G38 PolarHBondContact O-N 3.42Å; L35-G38 PolarHBondContact O-N 2.9Å; V36-G38 VanDerWaalsContact C-N 3.28Å; V36-G38 PolarHBondContact O-N 3.46Å; G38-E42 PolarHBondContact O-N 3.01Å
39	T	88.7	Confident	87	Confident	66 Å²	66	47.3 Å²	47.3	41%	0.405	27%	0.269	S	S	.	.	H	α-helix	trans	-64.6	-42.5	-179.2	59	0	0	0	0	113.3	L35 V36 S43	L35-T39 HydrophobicContact CD2-CG2 4.12Å; L35-T39 WeakPolarHBondContact O-CG2 3.48Å; L35-T39 PolarHBondContact O-N 3.4Å; L35-T39 PolarHBondContact O-OG1 3.26Å; V36-T39 WeakPolarHBondContact CA-OG1 3.38Å; V36-T39 PolarHBondContact O-N 3.33Å; V36-T39 VanDerWaalsContact O-N 3.17Å; V36-T39 PolarHBondContact O-OG1 2.9Å; T39-S43 VanDerWaalsContact O-CB 3.29Å; T39-S43 WeakPolarHBondContact O-CB 3.45Å; T39-S43 PolarHBondContact O-N 3.23Å; T39-S43 PolarHBondContact O-OG 2.89Å
40	A	88.9	Confident	87.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-73.1	-37.8	-176.6	0	0	0	0	0	111.9	V36 E42 S43 S44 W45 I75 W78 F207	V36-A40 VanDerWaalsContact O-CB 3.24Å; V36-A40 WeakPolarHBondContact O-CB 3.49Å; V36-A40 PolarHBondContact O-N 3.46Å; A40-E42 VanDerWaalsContact C-N 3.31Å; A40-E42 PolarHBondContact O-N 3.15Å; A40-S43 PolarHBondContact O-N 3.41Å; A40-S44 PolarHBondContact O-N 2.89Å; A40-S44 PolarHBondContact O-OG 3.02Å; A40-W45 HydrophobicContact CB-CE3 4.06Å; A40-W45 HydrophobicContact CB-CZ3 4.05Å; A40-W45 PolarHBondContact O-N 3.4Å; A40-I75 HydrophobicContact CB-CD1 3.87Å; A40-W78 HydrophobicContact CB-CZ3 4.34Å; A40-F207 HydrophobicContact CB-CD1 3.73Å; A40-F207 HydrophobicContact CB-CD2 4.21Å; A40-F207 HydrophobicContact CB-CE1 3.84Å; A40-F207 HydrophobicContact CB-CE2 4.32Å; A40-F207 HydrophobicContact CB-CG 3.92Å; A40-F207 HydrophobicContact CB-CZ 4.14Å
41	A	84.3	Confident	88	Confident	36 Å²	36	51.1 Å²	51.1	30%	0.298	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-43.1	177.8	0	0	0	0	0	111.6	L37 G46 I75	L37-A41 WeakPolarHBondContact O-CB 3.42Å; L37-A41 PolarHBondContact O-N 2.89Å; A41-G46 PolarHBondContact O-N 3.19Å; A41-I75 HydrophobicContact CB-CD1 4.33Å; A41-I75 HydrophobicContact CB-CG2 4.16Å
42	E	82.2	Confident	88.5	Confident	174 Å²	174	47 Å²	47	81%	0.813	28%	0.278	S	S	*	.	H	α-helix	trans	-78.2	-39.1	179.5	-66.2	-178.7	178.1	0	0	112.6	G38 A40	G38-E42 PolarHBondContact O-N 3.01Å; A40-E42 VanDerWaalsContact C-N 3.31Å; A40-E42 PolarHBondContact O-N 3.15Å
43	S	85.7	Confident	89	Confident	38 Å²	38	49.8 Å²	49.8	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-82.4	-42.6	-171.1	85.6	0	0	0	0	114.4	T39 A40 R200 E203	T39-S43 VanDerWaalsContact O-CB 3.29Å; T39-S43 WeakPolarHBondContact O-CB 3.45Å; T39-S43 PolarHBondContact O-N 3.23Å; T39-S43 PolarHBondContact O-OG 2.89Å; A40-S43 PolarHBondContact O-N 3.41Å; S43-R200 PolarHBondContact O-NH1 3.28Å; S43-E203 WeakPolarHBondContact CB-OE1 3.41Å; S43-E203 PolarHBondContact OG-OE1 3.18Å
44	S	87.2	Confident	89.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-21.4	-160.6	41.8	0	0	0	0	114.7	A40 E203 K204 F207	A40-S44 PolarHBondContact O-N 2.89Å; A40-S44 PolarHBondContact O-OG 3.02Å; S44-E203 WeakPolarHBondContact CB-OE1 3.28Å; S44-K204 WeakPolarHBondContact O-CE 3.25Å; S44-F207 WeakPolarHBondContact OG-CD2 3.45Å; S44-F207 WeakPolarHBondContact OG-CE2 3.39Å
45	W	91.6	Very high	89.7	Confident	9 Å²	9	54.1 Å²	54.1	3%	0.034	31%	0.313	C	S	.	.	S	Bend	trans	-110.2	-9.7	179.5	-86	-87.2	0	0	0	114.6	A40 D47 E48 H74 I75 W78 K204 F207 I208	A40-W45 HydrophobicContact CB-CE3 4.06Å; A40-W45 HydrophobicContact CB-CZ3 4.05Å; A40-W45 PolarHBondContact O-N 3.4Å; W45-D47 VanDerWaalsContact C-N 3.28Å; W45-D47 PolarHBondContact O-N 3.11Å; W45-E48 VanDerWaalsContact CD1-OE2 3.22Å; W45-E48 WeakPolarHBondContact O-CB 3.32Å; W45-E48 VanDerWaalsContact O-CG 3.26Å; W45-E48 WeakPolarHBondContact O-CG 3.44Å; W45-E48 PolarHBondContact O-N 3.32Å; W45-H74 HydrophobicContact CH2-CB 4.4Å; W45-H74 HydrophobicContact CZ2-CB 3.51Å; W45-H74 AromaticContact CZ2-CG 3.7Å; W45-H74 AromaticContact CZ2-ND1 3.92Å; W45-H74 AromaticContact NE1-ND1 3.82Å; W45-I75 HydrophobicContact CB-CD1 4.24Å; W45-I75 HydrophobicContact CB-CG1 3.49Å; W45-I75 VanDerWaalsContact CB-CG1 3.49Å; W45-I75 HydrophobicContact CD2-CD1 3.9Å; W45-I75 HydrophobicContact CD2-CG1 3.74Å; W45-I75 HydrophobicContact CE3-CD1 3.68Å; W45-I75 HydrophobicContact CE3-CG1 4.06Å; W45-I75 HydrophobicContact CG-CD1 4.14Å; W45-I75 HydrophobicContact CG-CG1 3.48Å; W45-I75 VanDerWaalsContact CG-CG1 3.48Å; W45-I75 HydrophobicContact CZ3-CD1 4.38Å; W45-W78 HydrophobicContact CE3-CZ3 4.5Å; W45-W78 AromaticContact CH2-CH2 3.51Å; W45-W78 HydrophobicContact CH2-CH2 3.51Å; W45-W78 HydrophobicContact CH2-CZ2 4.49Å; W45-W78 HydrophobicContact CH2-CZ3 4.02Å; W45-W78 HydrophobicContact CZ2-CH2 4.14Å; W45-W78 AromaticContact CZ3-CH2 3.88Å; W45-W78 HydrophobicContact CZ3-CH2 3.88Å; W45-W78 AromaticContact CZ3-CZ3 3.95Å; W45-W78 HydrophobicContact CZ3-CZ3 3.95Å; W45-K204 HydrophobicContact CD2-CG 4.36Å; W45-K204 HydrophobicContact CE3-CG 4.42Å; W45-K204 HydrophobicContact CH2-CB 3.75Å; W45-K204 HydrophobicContact CH2-CG 3.77Å; W45-K204 HydrophobicContact CZ2-CB 3.83Å; W45-K204 HydrophobicContact CZ2-CD 4.09Å; W45-K204 HydrophobicContact CZ2-CG 3.69Å; W45-K204 HydrophobicContact CZ3-CB 4.46Å; W45-K204 HydrophobicContact CZ3-CG 4.14Å; W45-F207 HydrophobicContact CH2-CB 3.96Å; W45-F207 HydrophobicContact CZ3-CB 3.76Å; W45-F207 AromaticContact CZ3-CD2 3.97Å; W45-F207 HydrophobicContact CZ3-CD2 3.97Å; W45-F207 HydrophobicContact CZ3-CG 4.11Å; W45-I208 HydrophobicContact CH2-CG1 4.32Å; W45-I208 HydrophobicContact CZ2-CG1 4.48Å
46	G	87.4	Confident	90.1	Very high	68 Å²	68	51 Å²	51	70%	0.701	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.3	178.2	0	0	0	0	0	114.4	A41	A41-G46 PolarHBondContact O-N 3.19Å
47	D	88.8	Confident	90.4	Very high	26 Å²	26	59.1 Å²	59.1	14%	0.139	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	12.9	179.4	60.7	16.7	0	0	0	113.1	W45 Q49 A50 D51 S199 R200	W45-D47 VanDerWaalsContact C-N 3.28Å; W45-D47 PolarHBondContact O-N 3.11Å; D47-Q49 VanDerWaalsContact C-N 3.31Å; D47-Q49 PolarHBondContact O-N 2.74Å; D47-Q49 VanDerWaalsContact O-N 3.15Å; D47-A50 PolarHBondContact O-N 2.83Å; D47-A50 VanDerWaalsContact O-N 3.13Å; D47-D51 PolarHBondContact O-N 2.98Å; D47-S199 PolarHBondContact OD1-OG 3.01Å; D47-R200 IonicContact OD2-CZ 3.43Å; D47-R200 IonicContact OD2-NE 3.36Å; D47-R200 PolarHBondContact OD2-NE 2.92Å; D47-R200 IonicContact OD2-NH2 2.86Å; D47-R200 PolarHBondContact OD2-NH2 3.39Å
48	E	90.8	Very high	90.6	Very high	29 Å²	29	62.2 Å²	62.2	14%	0.136	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-39.9	-168.1	66.7	176.2	162	0	0	114.1	W45 F52 Y66 S73	W45-E48 VanDerWaalsContact CD1-OE2 3.22Å; W45-E48 WeakPolarHBondContact O-CB 3.32Å; W45-E48 VanDerWaalsContact O-CG 3.26Å; W45-E48 WeakPolarHBondContact O-CG 3.44Å; W45-E48 PolarHBondContact O-N 3.32Å; E48-F52 WeakPolarHBondContact O-CB 3.4Å; E48-Y66 HydrophobicContact CG-CE2 4.39Å; E48-Y66 WeakPolarHBondContact CG-OH 2.96Å; E48-Y66 PolarHBondContact OE1-OH 2.91Å; E48-Y66 PolarHBondContact OE2-OH 2.69Å; E48-S73 WeakPolarHBondContact OE1-CB 3.31Å; E48-S73 PolarHBondContact OE1-OG 2.61Å; E48-S73 WeakPolarHBondContact OE2-CB 3.15Å; E48-S73 PolarHBondContact OE2-OG 3.24Å
49	Q	91.2	Very high	90.9	Very high	107 Å²	107	65.2 Å²	65.2	50%	0.5	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-30.6	179.9	-172	176.4	-6.3	0	0	111.9	D47 Y66	D47-Q49 VanDerWaalsContact C-N 3.31Å; D47-Q49 PolarHBondContact O-N 2.74Å; D47-Q49 VanDerWaalsContact O-N 3.15Å; Q49-Y66 HydrophobicContact CB-CD2 4.48Å; Q49-Y66 HydrophobicContact CB-CE1 4.25Å; Q49-Y66 HydrophobicContact CB-CE2 4.07Å; Q49-Y66 HydrophobicContact CG-CD1 4.15Å; Q49-Y66 HydrophobicContact CG-CD2 4.45Å; Q49-Y66 HydrophobicContact CG-CE1 4.16Å; Q49-Y66 HydrophobicContact CG-CE2 4.46Å; Q49-Y66 HydrophobicContact CG-CG 4.31Å
50	A	91.9	Very high	91.2	Very high	59 Å²	59	63.9 Å²	63.9	49%	0.488	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-39.1	-178.4	0	0	0	0	0	112	D47 R53	D47-A50 PolarHBondContact O-N 2.83Å; D47-A50 VanDerWaalsContact O-N 3.13Å; A50-R53 PolarHBondContact O-NH2 3.16Å; A50-R53 VanDerWaalsContact O-NH2 3.14Å
51	D	93.1	Very high	91.5	Very high	75 Å²	75	63.9 Å²	63.9	40%	0.401	37%	0.366	S	S	.	.	S	Bend	trans	-102.4	7.1	-175.9	-75.3	-10.2	0	0	0	113.8	D47 R53	D47-D51 PolarHBondContact O-N 2.98Å; D51-R53 PolarHBondContact O-N 3.48Å
52	F	94.4	Very high	92	Very high	1 Å²	1	64.9 Å²	64.9	0%	0.004	36%	0.364	C	S	.	.			trans	-78.1	99.4	170.4	-179	-98.2	0	0	0	110.2	E48 C54 Q62 C65 Y66 A69 F70 C196 V198	E48-F52 WeakPolarHBondContact O-CB 3.4Å; F52-C54 VanDerWaalsContact CE1-SG 3.54Å; F52-Q62 HydrophobicContact CD1-CG 4.1Å; F52-Q62 VanDerWaalsContact O-CD 3.25Å; F52-Q62 WeakPolarHBondContact O-CG 3.47Å; F52-Q62 PolarHBondContact O-NE2 3.32Å; F52-C65 HydrophobicContact CE1-CB 4.08Å; F52-C65 HydrophobicContact CZ-CB 4.37Å; F52-Y66 HydrophobicContact CB-CD2 4Å; F52-Y66 HydrophobicContact CD1-CD2 4.08Å; F52-Y66 HydrophobicContact CD1-CG 4.4Å; F52-Y66 HydrophobicContact CD2-CD2 4.27Å; F52-Y66 AromaticContact CG-CD2 3.86Å; F52-Y66 HydrophobicContact CG-CD2 3.86Å; F52-A69 HydrophobicContact CE2-CB 4.4Å; F52-A69 HydrophobicContact CZ-CB 4.39Å; F52-F70 HydrophobicContact CD2-CE2 4.18Å; F52-F70 HydrophobicContact CE2-CE2 4.13Å; F52-C196 HydrophobicContact CE1-CB 3.88Å; F52-C196 HydrophobicContact CE2-CB 3.97Å; F52-C196 HydrophobicContact CZ-CB 3.4Å; F52-V198 HydrophobicContact CD2-CG2 4.36Å; F52-V198 HydrophobicContact CE2-CG2 4.18Å
53	R	95.2	Very high	92.6	Very high	141 Å²	141	61.3 Å²	61.3	53%	0.532	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.3	-173.8	-60.5	-63.3	178.5	-178.2	-5.1	111.8	A50 D51 C196 Y197	A50-R53 PolarHBondContact O-NH2 3.16Å; A50-R53 VanDerWaalsContact O-NH2 3.14Å; D51-R53 PolarHBondContact O-N 3.48Å; R53-C196 CarbonylContact O-C 3.59Å; R53-C196 WeakPolarHBondContact O-CA 3.28Å; R53-Y197 PolarHBondContact N-O 3.41Å; R53-Y197 PolarHBondContact O-N 3.37Å
54	C	95.8	Very high	93.1	Very high	19 Å²	19	61.2 Å²	61.2	13%	0.128	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.7	172.7	-59.4	0	0	0	0	110.3	F52 T56 N195 C196	F52-C54 VanDerWaalsContact CE1-SG 3.54Å; C54-T56 HydrophobicContact CB-CG2 3.95Å; C54-T56 PolarHBondContact O-N 3.2Å; C54-N195 WeakPolarHBondContact CA-O 3.44Å; C54-C196 HydrophobicContact CB-CB 4.09Å; C54-C196 WeakPolarHBondContact CB-SG 3.35Å; C54-C196 WeakPolarHBondContact SG-CB 3.47Å; C54-C196 CovalentContact SG-SG 2.05Å; C54-C196 PolarHBondContact SG-SG 2.84Å
55	D	95	Very high	93.5	Very high	125 Å²	125	61.2 Å²	61.2	67%	0.668	35%	0.348	S	S	*	.	S	Bend	trans	-75.5	75.4	175.1	-170	10.1	0	0	0	110.3	N195	D55-N195 PolarHBondContact N-O 2.88Å
56	T	94.5	Very high	93.7	Very high	40 Å²	40	62 Å²	62	25%	0.245	35%	0.351	C	S	.	.			trans	-160.1	145.3	-178.6	-167.8	0	0	0	0	111.4	C54 Q58 C61	C54-T56 HydrophobicContact CB-CG2 3.95Å; C54-T56 PolarHBondContact O-N 3.2Å; T56-Q58 WeakPolarHBondContact OG1-CB 3.27Å; T56-Q58 PolarHBondContact OG1-N 3.22Å; T56-C61 HydrophobicContact CG2-CB 3.86Å
57	I	93.8	Very high	94.1	Very high	176 Å²	176	62.7 Å²	62.7	90%	0.903	34%	0.339	S	S	*	.			trans	-95.1	-8.5	173.8	-56.5	168.3	0	0	0	110.3	P59	I57-P59 WeakPolarHBondContact O-CD 3.31Å
58	Q	93.7	Very high	94.3	Very high	80 Å²	80	65.8 Å²	65.8	37%	0.374	35%	0.353	S	S	.	.			trans	-68.4	119.9	-175.3	-178.6	62.8	42	0	0	111.3	T56 G60 C61 P189	T56-Q58 WeakPolarHBondContact OG1-CB 3.27Å; T56-Q58 PolarHBondContact OG1-N 3.22Å; Q58-G60 PolarHBondContact O-N 3.1Å; Q58-C61 HydrophobicContact CB-CB 4.17Å; Q58-C61 HydrophobicContact CG-CB 4.29Å; Q58-C61 WeakPolarHBondContact O-CB 3.4Å; Q58-C61 PolarHBondContact O-N 2.94Å; Q58-P189 WeakPolarHBondContact CG-O 3.45Å
59	P	94.7	Very high	94.5	Very high	101 Å²	101	65.2 Å²	65.2	66%	0.656	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	138.8	177.6	25	-34.9	0	0	0	111.5	I57 C61	I57-P59 WeakPolarHBondContact O-CD 3.31Å; P59-C61 VanDerWaalsContact C-N 3.26Å; P59-C61 PolarHBondContact O-N 3.42Å
60	G	94.2	Very high	94.6	Very high	38 Å²	38	60.8 Å²	60.8	39%	0.392	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-16.1	178.7	0	0	0	0	0	115.6	Q58 Q62 N63 V64	Q58-G60 PolarHBondContact O-N 3.1Å; G60-Q62 PolarHBondContact O-N 3.06Å; G60-N63 PolarHBondContact O-N 2.93Å; G60-V64 PolarHBondContact O-N 2.89Å
61	C	95.7	Very high	94.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.5	-43.6	179.5	176.7	0	0	0	0	111.9	T56 Q58 P59 N63 V64 C65 C190	T56-C61 HydrophobicContact CG2-CB 3.86Å; Q58-C61 HydrophobicContact CB-CB 4.17Å; Q58-C61 HydrophobicContact CG-CB 4.29Å; Q58-C61 WeakPolarHBondContact O-CB 3.4Å; Q58-C61 PolarHBondContact O-N 2.94Å; P59-C61 VanDerWaalsContact C-N 3.26Å; P59-C61 PolarHBondContact O-N 3.42Å; C61-N63 VanDerWaalsContact C-N 3.32Å; C61-N63 PolarHBondContact O-N 3.29Å; C61-V64 WeakPolarHBondContact O-CG2 3.45Å; C61-V64 PolarHBondContact O-N 2.91Å; C61-C65 WeakPolarHBondContact O-CB 2.81Å; C61-C65 PolarHBondContact O-N 3.05Å; C61-C65 PolarHBondContact O-SG 3.03Å; C61-C190 HydrophobicContact CB-CB 4.15Å; C61-C190 WeakPolarHBondContact CB-SG 3.36Å; C61-C190 WeakPolarHBondContact SG-CB 3.38Å; C61-C190 CovalentContact SG-SG 2.04Å; C61-C190 PolarHBondContact SG-SG 3.2Å
62	Q	94.8	Very high	94.8	Very high	57 Å²	57	60.5 Å²	60.5	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-57.1	-42.4	176.8	-171.8	-176.1	-14.9	0	0	112.5	F52 G60 C65 Y66	F52-Q62 HydrophobicContact CD1-CG 4.1Å; F52-Q62 VanDerWaalsContact O-CD 3.25Å; F52-Q62 WeakPolarHBondContact O-CG 3.47Å; F52-Q62 PolarHBondContact O-NE2 3.32Å; G60-Q62 PolarHBondContact O-N 3.06Å; Q62-C65 PolarHBondContact O-N 2.96Å; Q62-Y66 WeakPolarHBondContact O-CB 3.32Å; Q62-Y66 PolarHBondContact O-N 3.01Å
63	N	95.4	Very high	94.8	Very high	99 Å²	99	60.7 Å²	60.7	53%	0.529	33%	0.328	S	S	.	.	H	α-helix	trans	-66.2	-45	-178.8	-68	39.4	0	0	0	112.2	G60 C61 C65 Y66 D67	G60-N63 PolarHBondContact O-N 2.93Å; C61-N63 VanDerWaalsContact C-N 3.32Å; C61-N63 PolarHBondContact O-N 3.29Å; N63-C65 VanDerWaalsContact C-N 3.34Å; N63-Y66 PolarHBondContact O-N 3Å; N63-D67 WeakPolarHBondContact O-CB 3.24Å; N63-D67 PolarHBondContact O-N 3.33Å
64	V	96.1	Very high	94.7	Very high	36 Å²	36	54 Å²	54	22%	0.218	30%	0.303	C	S	.	.	H	α-helix	trans	-71.3	-31.3	-179.5	-60.1	0	0	0	0	112.4	G60 C61 Q68 R187	G60-V64 PolarHBondContact O-N 2.89Å; C61-V64 WeakPolarHBondContact O-CG2 3.45Å; C61-V64 PolarHBondContact O-N 2.91Å; V64-Q68 WeakPolarHBondContact O-CB 3.3Å; V64-Q68 PolarHBondContact O-N 2.9Å; V64-R187 HydrophobicContact CB-CG 4.34Å; V64-R187 HydrophobicContact CG2-CB 4.18Å; V64-R187 HydrophobicContact CG2-CG 4.4Å
65	C	96.1	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-74.1	-37.9	176.6	-65.7	0	0	0	0	111.6	F52 C61 Q62 N63 Q68 A69 C185 C190	F52-C65 HydrophobicContact CE1-CB 4.08Å; F52-C65 HydrophobicContact CZ-CB 4.37Å; C61-C65 WeakPolarHBondContact O-CB 2.81Å; C61-C65 PolarHBondContact O-N 3.05Å; C61-C65 PolarHBondContact O-SG 3.03Å; Q62-C65 PolarHBondContact O-N 2.96Å; N63-C65 VanDerWaalsContact C-N 3.34Å; C65-Q68 PolarHBondContact O-N 3.02Å; C65-A69 WeakPolarHBondContact O-CB 3.12Å; C65-A69 PolarHBondContact O-N 3.32Å; C65-C185 WeakPolarHBondContact CA-SG 2.86Å; C65-C185 HydrophobicContact CB-CB 3.6Å; C65-C185 WeakPolarHBondContact CB-SG 3.36Å; C65-C185 WeakPolarHBondContact SG-CB 3.14Å; C65-C185 CovalentContact SG-SG 2.03Å; C65-C185 PolarHBondContact SG-SG 3.41Å; C65-C190 PolarHBondContact SG-SG 3.25Å
66	Y	95.2	Very high	94.4	Very high	25 Å²	25	56.1 Å²	56.1	10%	0.098	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-49.4	171.5	175.5	-95.7	0	0	0	111.1	E48 Q49 F52 Q62 N63 Q68 A69 F70	E48-Y66 HydrophobicContact CG-CE2 4.39Å; E48-Y66 WeakPolarHBondContact CG-OH 2.96Å; E48-Y66 PolarHBondContact OE1-OH 2.91Å; E48-Y66 PolarHBondContact OE2-OH 2.69Å; Q49-Y66 HydrophobicContact CB-CD2 4.48Å; Q49-Y66 HydrophobicContact CB-CE1 4.25Å; Q49-Y66 HydrophobicContact CB-CE2 4.07Å; Q49-Y66 HydrophobicContact CG-CD1 4.15Å; Q49-Y66 HydrophobicContact CG-CD2 4.45Å; Q49-Y66 HydrophobicContact CG-CE1 4.16Å; Q49-Y66 HydrophobicContact CG-CE2 4.46Å; Q49-Y66 HydrophobicContact CG-CG 4.31Å; F52-Y66 HydrophobicContact CB-CD2 4Å; F52-Y66 HydrophobicContact CD1-CD2 4.08Å; F52-Y66 HydrophobicContact CD1-CG 4.4Å; F52-Y66 HydrophobicContact CD2-CD2 4.27Å; F52-Y66 AromaticContact CG-CD2 3.86Å; F52-Y66 HydrophobicContact CG-CD2 3.86Å; Q62-Y66 WeakPolarHBondContact O-CB 3.32Å; Q62-Y66 PolarHBondContact O-N 3.01Å; N63-Y66 PolarHBondContact O-N 3Å; Y66-Q68 VanDerWaalsContact C-N 3.28Å; Y66-Q68 PolarHBondContact O-N 3.05Å; Y66-A69 PolarHBondContact O-N 2.95Å; Y66-F70 AromaticContact CD2-CD2 3.96Å; Y66-F70 HydrophobicContact CD2-CD2 3.96Å; Y66-F70 HydrophobicContact CE2-CB 4.44Å; Y66-F70 AromaticContact CE2-CD2 3.82Å; Y66-F70 HydrophobicContact CE2-CD2 3.82Å; Y66-F70 HydrophobicContact CE2-CG 4.49Å; Y66-F70 PolarHBondContact O-N 3.4Å
67	D	95.5	Very high	94.4	Very high	83 Å²	83	55.1 Å²	55.1	44%	0.444	29%	0.292	S	S	.	.	H	α-helix	trans	-58.7	-38	177.3	178.2	75.8	0	0	0	112.5	N63 F70 P71 R187	N63-D67 WeakPolarHBondContact O-CB 3.24Å; N63-D67 PolarHBondContact O-N 3.33Å; D67-F70 CarbonylContact O-C 3.53Å; D67-P71 WeakPolarHBondContact O-CA 3.11Å; D67-R187 IonicContact OD2-CZ 3.63Å; D67-R187 IonicContact OD2-NH1 2.77Å; D67-R187 PolarHBondContact OD2-NH1 2.94Å; D67-R187 IonicContact OD2-NH2 3.64Å
68	Q	94.1	Very high	94.4	Very high	91 Å²	91	47 Å²	47	43%	0.425	25%	0.25	S	S	.	.	H	α-helix	trans	-71.2	-40.1	176.1	-178	174.8	-10.5	0	0	112.9	V64 C65 Y66	V64-Q68 WeakPolarHBondContact O-CB 3.3Å; V64-Q68 PolarHBondContact O-N 2.9Å; C65-Q68 PolarHBondContact O-N 3.02Å; Y66-Q68 VanDerWaalsContact C-N 3.28Å; Y66-Q68 PolarHBondContact O-N 3.05Å
69	A	93.3	Very high	94.4	Very high	16 Å²	16	46 Å²	46	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-72.5	-36.9	-179.8	0	0	0	0	0	112.2	F52 C65 Y66	F52-A69 HydrophobicContact CE2-CB 4.4Å; F52-A69 HydrophobicContact CZ-CB 4.39Å; C65-A69 WeakPolarHBondContact O-CB 3.12Å; C65-A69 PolarHBondContact O-N 3.32Å; Y66-A69 PolarHBondContact O-N 2.95Å
70	F	94.5	Very high	94.4	Very high	14 Å²	14	44.6 Å²	44.6	6%	0.061	24%	0.236	C	C	.	.			trans	-132.3	73.1	-175.5	-56.5	-70.9	0	0	0	110.8	F52 Y66 D67 I72 Y175 L179 V198	F52-F70 HydrophobicContact CD2-CE2 4.18Å; F52-F70 HydrophobicContact CE2-CE2 4.13Å; Y66-F70 AromaticContact CD2-CD2 3.96Å; Y66-F70 HydrophobicContact CD2-CD2 3.96Å; Y66-F70 HydrophobicContact CE2-CB 4.44Å; Y66-F70 AromaticContact CE2-CD2 3.82Å; Y66-F70 HydrophobicContact CE2-CD2 3.82Å; Y66-F70 HydrophobicContact CE2-CG 4.49Å; Y66-F70 PolarHBondContact O-N 3.4Å; D67-F70 CarbonylContact O-C 3.53Å; F70-I72 CarbonylContact C-O 3.55Å; F70-I72 PolarHBondContact O-N 3.28Å; F70-Y175 HydrophobicContact CD1-CE1 4.13Å; F70-L179 HydrophobicContact CE1-CD1 3.62Å; F70-L179 HydrophobicContact CE1-CD2 4.01Å; F70-L179 HydrophobicContact CE1-CG 4.46Å; F70-L179 HydrophobicContact CZ-CD1 3.86Å; F70-L179 HydrophobicContact CZ-CD2 4.05Å; F70-L179 HydrophobicContact CZ-CG 4.48Å; F70-V198 HydrophobicContact CE2-CG1 4.17Å; F70-V198 HydrophobicContact CE2-CG2 4.02Å; F70-V198 HydrophobicContact CZ-CB 4.45Å; F70-V198 HydrophobicContact CZ-CG1 3.72Å; F70-V198 HydrophobicContact CZ-CG2 3.8Å
71	P	94.6	Very high	94.4	Very high	87 Å²	87	43.3 Å²	43.3	57%	0.565	22%	0.22	S	C	*	.	S	Bend	trans	-61.8	-31.3	-179.2	24.9	-34.9	0	0	0	112.5	D67 I174	D67-P71 WeakPolarHBondContact O-CA 3.11Å; P71-I174 HydrophobicContact CG-CG2 4.25Å
72	I	94.8	Very high	94.1	Very high	42 Å²	42	43.7 Å²	43.7	22%	0.215	22%	0.221	C	C	.	.	S	Bend	trans	-126.9	150.1	163.9	-174.1	170.9	0	0	0	107.2	F70 R76 Y77 L80 Y175	F70-I72 CarbonylContact C-O 3.55Å; F70-I72 PolarHBondContact O-N 3.28Å; I72-R76 HydrophobicContact CD1-CB 4.12Å; I72-R76 HydrophobicContact CG1-CB 3.8Å; I72-Y77 HydrophobicContact CG2-CD2 4.24Å; I72-L80 HydrophobicContact CD1-CD1 3.87Å; I72-Y175 VanDerWaalsContact C-OH 3.27Å; I72-Y175 WeakPolarHBondContact CG2-OH 3.31Å; I72-Y175 PolarHBondContact O-OH 3.36Å
73	S	93.3	Very high	93.9	Very high	5 Å²	5	45 Å²	45	4%	0.035	23%	0.23	C	C	.	.			trans	-79.4	146.8	171.1	179.8	0	0	0	0	109.5	E48 I75 R76 Y77	E48-S73 WeakPolarHBondContact OE1-CB 3.31Å; E48-S73 PolarHBondContact OE1-OG 2.61Å; E48-S73 WeakPolarHBondContact OE2-CB 3.15Å; E48-S73 PolarHBondContact OE2-OG 3.24Å; S73-I75 PolarHBondContact O-N 3.42Å; S73-R76 WeakPolarHBondContact O-CB 3.15Å; S73-R76 PolarHBondContact O-N 2.86Å; S73-Y77 PolarHBondContact O-N 3.02Å
74	H	92.7	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.8	-39.9	179.2	-72.1	80.6	0	0	0	112	W45 R76 Y77 W78 Q171 Y175 I208	W45-H74 HydrophobicContact CH2-CB 4.4Å; W45-H74 HydrophobicContact CZ2-CB 3.51Å; W45-H74 AromaticContact CZ2-CG 3.7Å; W45-H74 AromaticContact CZ2-ND1 3.92Å; W45-H74 AromaticContact NE1-ND1 3.82Å; H74-R76 VanDerWaalsContact C-N 3.32Å; H74-R76 PolarHBondContact O-N 3.48Å; H74-Y77 WeakPolarHBondContact O-CB 3.39Å; H74-Y77 PolarHBondContact O-N 3.43Å; H74-W78 HydrophobicContact CB-CH2 4.22Å; H74-W78 HydrophobicContact CB-CZ2 4.06Å; H74-W78 VanDerWaalsContact O-CG 3.26Å; H74-W78 PolarHBondContact O-N 3.42Å; H74-Q171 PolarHBondContact CD2-NE2 3.39Å; H74-Q171 PolarHBondContact NE2-NE2 2.87Å; H74-Q171 VanDerWaalsContact NE2-NE2 3.11Å; H74-Y175 AromaticContact CE1-CD1 3.45Å; H74-Y175 VanDerWaalsContact CE1-CD1 3.45Å; H74-Y175 WeakPolarHBondContact CE1-CD1 3.18Å; H74-Y175 AromaticContact CE1-CE1 3.65Å; H74-Y175 AromaticContact CE1-CG 3.66Å; H74-Y175 AromaticContact NE2-CD1 3.7Å; H74-Y175 AromaticContact NE2-CD2 3.57Å; H74-Y175 AromaticContact NE2-CE2 3.96Å; H74-Y175 AromaticContact NE2-CG 3.38Å; H74-I208 WeakPolarHBondContact NE2-CD1 3.45Å
75	I	92.6	Very high	93.6	Very high	25 Å²	25	43.9 Å²	43.9	13%	0.128	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-45.1	176.5	-60.8	-60.8	0	0	0	110.7	L37 A40 A41 W45 S73 Y77 W78 V79	L37-I75 HydrophobicContact CD1-CB 4.43Å; L37-I75 HydrophobicContact CD1-CD1 4.16Å; L37-I75 HydrophobicContact CD1-CG2 3.77Å; A40-I75 HydrophobicContact CB-CD1 3.87Å; A41-I75 HydrophobicContact CB-CD1 4.33Å; A41-I75 HydrophobicContact CB-CG2 4.16Å; W45-I75 HydrophobicContact CB-CD1 4.24Å; W45-I75 HydrophobicContact CB-CG1 3.49Å; W45-I75 VanDerWaalsContact CB-CG1 3.49Å; W45-I75 HydrophobicContact CD2-CD1 3.9Å; W45-I75 HydrophobicContact CD2-CG1 3.74Å; W45-I75 HydrophobicContact CE3-CD1 3.68Å; W45-I75 HydrophobicContact CE3-CG1 4.06Å; W45-I75 HydrophobicContact CG-CD1 4.14Å; W45-I75 HydrophobicContact CG-CG1 3.48Å; W45-I75 VanDerWaalsContact CG-CG1 3.48Å; W45-I75 HydrophobicContact CZ3-CD1 4.38Å; S73-I75 PolarHBondContact O-N 3.42Å; I75-Y77 VanDerWaalsContact C-N 3.34Å; I75-Y77 PolarHBondContact O-N 3.2Å; I75-W78 HydrophobicContact CD1-CE3 3.84Å; I75-W78 HydrophobicContact CD1-CZ3 3.74Å; I75-W78 PolarHBondContact O-N 3.37Å; I75-V79 VanDerWaalsContact O-CG2 3.28Å; I75-V79 WeakPolarHBondContact O-CG2 3.29Å; I75-V79 PolarHBondContact O-N 3.32Å
76	R	93.6	Very high	93.1	Very high	164 Å²	164	45 Å²	45	62%	0.619	23%	0.226	S	C	*	.	H	α-helix	trans	-66.2	-38.9	178.1	-63.3	-178.8	-174.9	174.8	3.1	111.3	I72 S73 H74 V79 L80	I72-R76 HydrophobicContact CD1-CB 4.12Å; I72-R76 HydrophobicContact CG1-CB 3.8Å; S73-R76 WeakPolarHBondContact O-CB 3.15Å; S73-R76 PolarHBondContact O-N 2.86Å; H74-R76 VanDerWaalsContact C-N 3.32Å; H74-R76 PolarHBondContact O-N 3.48Å; R76-V79 PolarHBondContact O-N 2.86Å; R76-L80 WeakPolarHBondContact O-CG 3.17Å; R76-L80 PolarHBondContact O-N 2.87Å; R76-L80 VanDerWaalsContact O-N 3.08Å
77	Y	94.6	Very high	92.8	Very high	19 Å²	19	46.9 Å²	46.9	8%	0.075	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-46.1	174.5	-169.1	-94.5	0	0	0	111.7	I72 S73 H74 I75 L80 Q81 F167 G170 Q171 I174	I72-Y77 HydrophobicContact CG2-CD2 4.24Å; S73-Y77 PolarHBondContact O-N 3.02Å; H74-Y77 WeakPolarHBondContact O-CB 3.39Å; H74-Y77 PolarHBondContact O-N 3.43Å; I75-Y77 VanDerWaalsContact C-N 3.34Å; I75-Y77 PolarHBondContact O-N 3.2Å; Y77-L80 PolarHBondContact O-N 3.4Å; Y77-Q81 PolarHBondContact O-N 3.2Å; Y77-F167 HydrophobicContact CD1-CD1 4.33Å; Y77-F167 HydrophobicContact CE1-CB 4.33Å; Y77-F167 AromaticContact CE1-CD1 3.66Å; Y77-F167 HydrophobicContact CE1-CD1 3.66Å; Y77-F167 HydrophobicContact CE1-CG 4.5Å; Y77-F167 HydrophobicContact CE2-CD1 4.12Å; Y77-F167 HydrophobicContact CE2-CE1 4.4Å; Y77-F167 AromaticContact CZ-CD1 3.53Å; Y77-F167 VanDerWaalsContact OH-CA 3.29Å; Y77-F167 WeakPolarHBondContact OH-CA 3.45Å; Y77-F167 PolarHBondContact OH-O 3.02Å; Y77-G170 WeakPolarHBondContact OH-CA 3.19Å; Y77-Q171 HydrophobicContact CE1-CB 3.82Å; Y77-Q171 PolarHBondContact OH-N 3.46Å; Y77-Q171 VanDerWaalsContact OH-N 3.12Å; Y77-I174 HydrophobicContact CE2-CD1 4.34Å
78	W	94.1	Very high	92.5	Very high	6 Å²	6	43.5 Å²	43.5	2%	0.023	22%	0.223	C	C	.	.	H	α-helix	trans	-67.6	-36.4	177.6	-62.4	-27.2	0	0	0	113.2	L37 A40 W45 H74 I75 L80 Q81 I82 F207 I208 M211	L37-W78 HydrophobicContact CD1-CB 4Å; L37-W78 HydrophobicContact CD1-CE3 4.19Å; A40-W78 HydrophobicContact CB-CZ3 4.34Å; W45-W78 HydrophobicContact CE3-CZ3 4.5Å; W45-W78 AromaticContact CH2-CH2 3.51Å; W45-W78 HydrophobicContact CH2-CH2 3.51Å; W45-W78 HydrophobicContact CH2-CZ2 4.49Å; W45-W78 HydrophobicContact CH2-CZ3 4.02Å; W45-W78 HydrophobicContact CZ2-CH2 4.14Å; W45-W78 AromaticContact CZ3-CH2 3.88Å; W45-W78 HydrophobicContact CZ3-CH2 3.88Å; W45-W78 AromaticContact CZ3-CZ3 3.95Å; W45-W78 HydrophobicContact CZ3-CZ3 3.95Å; H74-W78 HydrophobicContact CB-CH2 4.22Å; H74-W78 HydrophobicContact CB-CZ2 4.06Å; H74-W78 VanDerWaalsContact O-CG 3.26Å; H74-W78 PolarHBondContact O-N 3.42Å; I75-W78 HydrophobicContact CD1-CE3 3.84Å; I75-W78 HydrophobicContact CD1-CZ3 3.74Å; I75-W78 PolarHBondContact O-N 3.37Å; W78-L80 VanDerWaalsContact C-N 3.35Å; W78-Q81 PolarHBondContact O-N 2.8Å; W78-I82 WeakPolarHBondContact O-CD1 3.17Å; W78-I82 WeakPolarHBondContact O-CG1 3.46Å; W78-I82 PolarHBondContact O-N 3.05Å; W78-F207 HydrophobicContact CH2-CB 3.99Å; W78-F207 HydrophobicContact CZ3-CB 4.47Å; W78-I208 HydrophobicContact CH2-CG1 4.26Å; W78-I208 HydrophobicContact CZ2-CB 4.49Å; W78-I208 HydrophobicContact CZ2-CG1 3.92Å; W78-M211 HydrophobicContact CB-CE 4.01Å; W78-M211 HydrophobicContact CD2-CB 4.44Å; W78-M211 HydrophobicContact CD2-CE 4Å; W78-M211 HydrophobicContact CD2-CG 3.98Å; W78-M211 HydrophobicContact CE3-CE 4.35Å; W78-M211 HydrophobicContact CE3-CG 4.1Å; W78-M211 HydrophobicContact CG-CE 3.83Å; W78-M211 HydrophobicContact CH2-CG 4.03Å; W78-M211 HydrophobicContact CZ2-CB 4.01Å; W78-M211 HydrophobicContact CZ2-CG 3.91Å; W78-M211 HydrophobicContact CZ3-CG 4.12Å
79	V	92.6	Very high	91.9	Very high	58 Å²	58	40.7 Å²	40.7	35%	0.352	21%	0.213	S	C	.	.	H	α-helix	trans	-57	-50.3	171.1	169.6	0	0	0	0	110.2	L37 I75 R76 Q81 I82 I83	L37-V79 HydrophobicContact CD1-CG2 4.21Å; L37-V79 HydrophobicContact CD2-CG2 3.59Å; L37-V79 HydrophobicContact CG-CG2 4.43Å; I75-V79 VanDerWaalsContact O-CG2 3.28Å; I75-V79 WeakPolarHBondContact O-CG2 3.29Å; I75-V79 PolarHBondContact O-N 3.32Å; R76-V79 PolarHBondContact O-N 2.86Å; V79-Q81 PolarHBondContact O-N 3.44Å; V79-I82 PolarHBondContact O-N 3.5Å; V79-I83 HydrophobicContact CG1-CD1 3.79Å; V79-I83 WeakPolarHBondContact O-CG1 3.49Å; V79-I83 PolarHBondContact O-N 3.45Å
80	L	93.8	Very high	91.4	Very high	72 Å²	72	42.9 Å²	42.9	38%	0.377	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-45.9	177.9	-68.7	173.5	0	0	0	111.2	I72 R76 Y77 W78 I82 I83 F84 F167	I72-L80 HydrophobicContact CD1-CD1 3.87Å; R76-L80 WeakPolarHBondContact O-CG 3.17Å; R76-L80 PolarHBondContact O-N 2.87Å; R76-L80 VanDerWaalsContact O-N 3.08Å; Y77-L80 PolarHBondContact O-N 3.4Å; W78-L80 VanDerWaalsContact C-N 3.35Å; L80-I82 VanDerWaalsContact C-N 3.3Å; L80-I82 PolarHBondContact O-N 3.31Å; L80-I83 PolarHBondContact O-N 3.01Å; L80-F84 HydrophobicContact CB-CD2 4.45Å; L80-F84 HydrophobicContact CD2-CE2 4.45Å; L80-F84 VanDerWaalsContact O-CD2 3.26Å; L80-F84 WeakPolarHBondContact O-CD2 3.19Å; L80-F84 PolarHBondContact O-N 3.45Å; L80-F167 HydrophobicContact CB-CE1 4.11Å; L80-F167 HydrophobicContact CB-CZ 4.29Å
81	Q	94.2	Very high	91.1	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-53.5	-48.3	175.9	-178.6	179.2	3	0	0	111.2	Y77 W78 V79 I83 F84 V85 E164 F167	Y77-Q81 PolarHBondContact O-N 3.2Å; W78-Q81 PolarHBondContact O-N 2.8Å; V79-Q81 PolarHBondContact O-N 3.44Å; Q81-I83 PolarHBondContact O-N 3.22Å; Q81-F84 PolarHBondContact O-N 3.46Å; Q81-V85 HydrophobicContact CG-CG2 4.17Å; Q81-V85 WeakPolarHBondContact O-CB 3.46Å; Q81-V85 WeakPolarHBondContact O-CG2 3.16Å; Q81-V85 PolarHBondContact O-N 2.87Å; Q81-E164 PolarHBondContact NE2-OE1 3.07Å; Q81-F167 HydrophobicContact CB-CB 4.24Å; Q81-F167 HydrophobicContact CB-CD1 3.58Å; Q81-F167 HydrophobicContact CB-CD2 4.22Å; Q81-F167 HydrophobicContact CB-CE1 3.97Å; Q81-F167 HydrophobicContact CB-CG 3.75Å; Q81-F167 HydrophobicContact CB-CZ 4.47Å; Q81-F167 HydrophobicContact CG-CB 3.74Å; Q81-F167 HydrophobicContact CG-CD1 4.06Å; Q81-F167 HydrophobicContact CG-CD2 4.1Å; Q81-F167 HydrophobicContact CG-CG 3.7Å
82	I	90.8	Very high	90.6	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.041	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-40.6	-178.1	-65.5	153.7	0	0	0	111.2	F30 R33 M34 L37 W78 V79 L80 S86	F30-I82 HydrophobicContact CD2-CG2 3.96Å; F30-I82 HydrophobicContact CE2-CG2 3.32Å; F30-I82 HydrophobicContact CZ-CG2 4.02Å; R33-I82 HydrophobicContact CB-CD1 3.95Å; R33-I82 HydrophobicContact CB-CG1 4.19Å; M34-I82 HydrophobicContact CE-CB 4Å; M34-I82 HydrophobicContact CE-CD1 3.19Å; M34-I82 HydrophobicContact CE-CG1 3.97Å; M34-I82 HydrophobicContact CE-CG2 3.51Å; M34-I82 HydrophobicContact SD-CG2 4.48Å; L37-I82 HydrophobicContact CD2-CD1 4.2Å; W78-I82 WeakPolarHBondContact O-CD1 3.17Å; W78-I82 WeakPolarHBondContact O-CG1 3.46Å; W78-I82 PolarHBondContact O-N 3.05Å; V79-I82 PolarHBondContact O-N 3.5Å; L80-I82 VanDerWaalsContact C-N 3.3Å; L80-I82 PolarHBondContact O-N 3.31Å; I82-S86 WeakPolarHBondContact O-CB 3.38Å; I82-S86 PolarHBondContact O-N 2.97Å; I82-S86 PolarHBondContact O-OG 3.18Å
83	I	90.7	Very high	89.8	Confident	86 Å²	86	42 Å²	42	44%	0.441	22%	0.216	S	C	.	.	H	α-helix	trans	-62.4	-52	176.4	-67.4	166.5	0	0	0	110.8	V79 L80 Q81 V85 S86 T87	V79-I83 HydrophobicContact CG1-CD1 3.79Å; V79-I83 WeakPolarHBondContact O-CG1 3.49Å; V79-I83 PolarHBondContact O-N 3.45Å; L80-I83 PolarHBondContact O-N 3.01Å; Q81-I83 PolarHBondContact O-N 3.22Å; I83-V85 PolarHBondContact O-N 3.3Å; I83-S86 PolarHBondContact O-N 3.22Å; I83-S86 PolarHBondContact O-OG 3.34Å; I83-T87 WeakPolarHBondContact O-CB 3.35Å; I83-T87 PolarHBondContact O-N 3.1Å; I83-T87 PolarHBondContact O-OG1 3.42Å
84	F	93	Very high	89.3	Confident	97 Å²	97	43.7 Å²	43.7	43%	0.425	23%	0.234	S	C	.	.	H	α-helix	trans	-67.2	-35.9	-177.6	-81.8	-74.2	0	0	0	113	L80 Q81 P88 F167	L80-F84 HydrophobicContact CB-CD2 4.45Å; L80-F84 HydrophobicContact CD2-CE2 4.45Å; L80-F84 VanDerWaalsContact O-CD2 3.26Å; L80-F84 WeakPolarHBondContact O-CD2 3.19Å; L80-F84 PolarHBondContact O-N 3.45Å; Q81-F84 PolarHBondContact O-N 3.46Å; F84-P88 WeakPolarHBondContact O-CD 3.33Å; F84-F167 HydrophobicContact CB-CE2 3.62Å; F84-F167 HydrophobicContact CB-CZ 4.1Å; F84-F167 AromaticContact CD2-CE2 3.98Å; F84-F167 HydrophobicContact CD2-CE2 3.98Å; F84-F167 AromaticContact CD2-CZ 3.59Å; F84-F167 HydrophobicContact CD2-CZ 3.59Å; F84-F167 HydrophobicContact CE2-CZ 4.38Å; F84-F167 HydrophobicContact CG-CE2 4.03Å; F84-F167 HydrophobicContact CG-CZ 4.13Å
85	V	90.8	Very high	88.9	Confident	14 Å²	14	46.9 Å²	46.9	9%	0.085	25%	0.249	C	C	.	.	H	α-helix	trans	-75	-34.8	178.7	170.7	0	0	0	0	111.7	Q81 I83 R160 M163 E164	Q81-V85 HydrophobicContact CG-CG2 4.17Å; Q81-V85 WeakPolarHBondContact O-CB 3.46Å; Q81-V85 WeakPolarHBondContact O-CG2 3.16Å; Q81-V85 PolarHBondContact O-N 2.87Å; I83-V85 PolarHBondContact O-N 3.3Å; V85-R160 HydrophobicContact CG1-CG 3.91Å; V85-M163 HydrophobicContact CG2-CB 4.41Å; V85-E164 WeakPolarHBondContact CG1-OE2 3.38Å; V85-E164 HydrophobicContact CG2-CB 4.47Å; V85-E164 WeakPolarHBondContact CG2-OE2 3.41Å
86	S	86.6	Confident	88.4	Confident	23 Å²	23	46.2 Å²	46.2	16%	0.161	25%	0.247	C	C	.	.	H	α-helix	trans	-73.1	-38.4	176.8	59.2	0	0	0	0	112.2	I82 I83 S89 L90	I82-S86 WeakPolarHBondContact O-CB 3.38Å; I82-S86 PolarHBondContact O-N 2.97Å; I82-S86 PolarHBondContact O-OG 3.18Å; I83-S86 PolarHBondContact O-N 3.22Å; I83-S86 PolarHBondContact O-OG 3.34Å; S86-S89 WeakPolarHBondContact O-CA 3.47Å; S86-S89 WeakPolarHBondContact O-CB 3.33Å; S86-S89 PolarHBondContact O-N 2.92Å; S86-L90 WeakPolarHBondContact O-CG 3.25Å; S86-L90 PolarHBondContact O-N 3.45Å
87	T	88.5	Confident	87.7	Confident	64 Å²	64	39.4 Å²	39.4	39%	0.393	22%	0.222	S	C	.	.	H	α-helix	trans	-49.3	-50.2	-173.9	-64.8	0	0	0	0	114.5	I83 S89 L90 V91	I83-T87 WeakPolarHBondContact O-CB 3.35Å; I83-T87 PolarHBondContact O-N 3.1Å; I83-T87 PolarHBondContact O-OG1 3.42Å; T87-S89 VanDerWaalsContact C-N 3.27Å; T87-S89 PolarHBondContact O-N 2.89Å; T87-L90 WeakPolarHBondContact O-CB 3.39Å; T87-L90 PolarHBondContact O-N 3.48Å; T87-L90 VanDerWaalsContact O-N 3.08Å; T87-V91 HydrophobicContact CG2-CG2 4.3Å; T87-V91 WeakPolarHBondContact O-CG2 3.25Å; T87-V91 PolarHBondContact O-N 3.43Å
88	P	89.1	Confident	87.2	Confident	13 Å²	13	43.5 Å²	43.5	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-36.9	177.7	-25.5	33.9	0	0	0	113.6	F84 L90 V91 Y92 I159	F84-P88 WeakPolarHBondContact O-CD 3.33Å; P88-L90 VanDerWaalsContact C-N 3.34Å; P88-V91 PolarHBondContact O-N 2.83Å; P88-Y92 WeakPolarHBondContact O-CB 3.25Å; P88-Y92 PolarHBondContact O-N 3.35Å; P88-I159 HydrophobicContact CB-CB 4.33Å; P88-I159 HydrophobicContact CB-CG2 4.24Å; P88-I159 HydrophobicContact CG-CB 4.16Å; P88-I159 HydrophobicContact CG-CG2 3.58Å
89	S	82.6	Confident	86.6	Confident	32 Å²	32	44.4 Å²	44.4	22%	0.224	25%	0.248	C	C	.	.	H	α-helix	trans	-68.7	-37	177.7	-52.3	0	0	0	0	110.8	S86 T87 M93	S86-S89 WeakPolarHBondContact O-CA 3.47Å; S86-S89 WeakPolarHBondContact O-CB 3.33Å; S86-S89 PolarHBondContact O-N 2.92Å; T87-S89 VanDerWaalsContact C-N 3.27Å; T87-S89 PolarHBondContact O-N 2.89Å; S89-M93 WeakPolarHBondContact O-CB 3.45Å; S89-M93 PolarHBondContact O-N 3.12Å
90	L	82.6	Confident	85.9	Confident	61 Å²	61	43 Å²	43	32%	0.319	24%	0.24	S	C	.	.	H	α-helix	trans	-68.4	-42.8	176	-55.2	-169.6	0	0	0	111.8	F10 V14 S86 T87 P88 M93 G94	F10-L90 HydrophobicContact CD1-CD2 4.46Å; F10-L90 HydrophobicContact CE1-CD1 3.56Å; F10-L90 HydrophobicContact CE1-CD2 3.27Å; F10-L90 HydrophobicContact CE1-CG 3.93Å; F10-L90 HydrophobicContact CZ-CB 4.25Å; F10-L90 HydrophobicContact CZ-CD1 3.84Å; F10-L90 HydrophobicContact CZ-CD2 3.61Å; F10-L90 HydrophobicContact CZ-CG 4.06Å; V14-L90 HydrophobicContact CG2-CD2 4.42Å; S86-L90 WeakPolarHBondContact O-CG 3.25Å; S86-L90 PolarHBondContact O-N 3.45Å; T87-L90 WeakPolarHBondContact O-CB 3.39Å; T87-L90 PolarHBondContact O-N 3.48Å; T87-L90 VanDerWaalsContact O-N 3.08Å; P88-L90 VanDerWaalsContact C-N 3.34Å; L90-M93 PolarHBondContact O-N 2.71Å; L90-G94 PolarHBondContact O-N 2.95Å
91	V	88.2	Confident	85.5	Confident	98 Å²	98	45.4 Å²	45.4	59%	0.594	24%	0.244	S	C	*	.	H	α-helix	trans	-62.2	-45.1	176	173	0	0	0	0	110.5	T87 P88 M93 G94 H95	T87-V91 HydrophobicContact CG2-CG2 4.3Å; T87-V91 WeakPolarHBondContact O-CG2 3.25Å; T87-V91 PolarHBondContact O-N 3.43Å; P88-V91 PolarHBondContact O-N 2.83Å; V91-M93 VanDerWaalsContact C-N 3.34Å; V91-M93 PolarHBondContact O-N 3.15Å; V91-G94 PolarHBondContact O-N 3.43Å; V91-H95 WeakPolarHBondContact O-CB 3.36Å; V91-H95 PolarHBondContact O-N 3.47Å
92	Y	84.6	Confident	85.2	Confident	19 Å²	19	49 Å²	49	8%	0.075	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-46	174.3	167.6	-104.4	0	0	0	111.7	P88 H95 A96 Y153	P88-Y92 WeakPolarHBondContact O-CB 3.25Å; P88-Y92 PolarHBondContact O-N 3.35Å; Y92-H95 PolarHBondContact O-N 2.88Å; Y92-A96 WeakPolarHBondContact O-CB 3.37Å; Y92-A96 PolarHBondContact O-N 3.25Å; Y92-Y153 AromaticContact CD1-CD2 3.81Å; Y92-Y153 HydrophobicContact CD1-CD2 3.81Å; Y92-Y153 HydrophobicContact CD1-CE2 4.17Å; Y92-Y153 AromaticContact CD2-CD2 3.91Å; Y92-Y153 HydrophobicContact CD2-CD2 3.91Å; Y92-Y153 AromaticContact CE1-CD2 3.45Å; Y92-Y153 HydrophobicContact CE1-CD2 3.45Å; Y92-Y153 VanDerWaalsContact CE1-CD2 3.45Å; Y92-Y153 AromaticContact CE1-CE2 3.76Å; Y92-Y153 HydrophobicContact CE1-CE2 3.76Å; Y92-Y153 AromaticContact CE2-CD2 3.57Å; Y92-Y153 HydrophobicContact CE2-CD2 3.57Å; Y92-Y153 HydrophobicContact CE2-CG 4.02Å; Y92-Y153 HydrophobicContact CG-CD2 4.03Å; Y92-Y153 AromaticContact CZ-CD2 3.31Å
93	M	77.8	Confident	84.9	Confident	9 Å²	9	53.1 Å²	53.1	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-48.2	179.4	-173.9	61.5	72.6	0	0	111.5	V14 H17 S89 L90 V91 H95 A96 M97	V14-M93 HydrophobicContact CB-CE 4.3Å; V14-M93 HydrophobicContact CG1-CE 3.73Å; V14-M93 HydrophobicContact CG2-CG 4.16Å; V14-M93 WeakPolarHBondContact O-CE 3.07Å; H17-M93 HydrophobicContact CB-SD 3.73Å; S89-M93 WeakPolarHBondContact O-CB 3.45Å; S89-M93 PolarHBondContact O-N 3.12Å; L90-M93 PolarHBondContact O-N 2.71Å; V91-M93 VanDerWaalsContact C-N 3.34Å; V91-M93 PolarHBondContact O-N 3.15Å; M93-H95 VanDerWaalsContact C-N 3.28Å; M93-H95 PolarHBondContact O-N 2.93Å; M93-A96 PolarHBondContact O-N 2.84Å; M93-A96 VanDerWaalsContact O-N 3.12Å; M93-M97 HydrophobicContact CG-CG 4.26Å; M93-M97 HydrophobicContact CG-SD 3.91Å; M93-M97 WeakPolarHBondContact O-CB 3.43Å; M93-M97 WeakPolarHBondContact O-CG 3.47Å; M93-M97 PolarHBondContact O-N 3.45Å; M93-M97 HydrophobicContact SD-CG 4.21Å; M93-M97 HydrophobicContact SD-SD 4.43Å
94	G	81.9	Confident	84.6	Confident	40 Å²	40	53 Å²	53	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-57.7	-42.3	176.3	0	0	0	0	0	111.8	L90 V91 H98	L90-G94 PolarHBondContact O-N 2.95Å; V91-G94 PolarHBondContact O-N 3.43Å; G94-H98 WeakPolarHBondContact O-CB 3.34Å; G94-H98 PolarHBondContact O-N 3.1Å
95	H	84.5	Confident	84.4	Confident	67 Å²	67	54 Å²	54	31%	0.31	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-43.2	174.3	178.6	-85.9	0	0	0	112.6	V91 Y92 M93 T99	V91-H95 WeakPolarHBondContact O-CB 3.36Å; V91-H95 PolarHBondContact O-N 3.47Å; Y92-H95 PolarHBondContact O-N 2.88Å; M93-H95 VanDerWaalsContact C-N 3.28Å; M93-H95 PolarHBondContact O-N 2.93Å; H95-T99 WeakPolarHBondContact O-CB 3.2Å; H95-T99 PolarHBondContact O-N 2.98Å; H95-T99 PolarHBondContact O-OG1 3.44Å
96	A	81.4	Confident	84.4	Confident	10 Å²	10	61.7 Å²	61.7	8%	0.083	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-49.5	177.9	0	0	0	0	0	111.4	Y92 M93 H98 T99 V100 L149	Y92-A96 WeakPolarHBondContact O-CB 3.37Å; Y92-A96 PolarHBondContact O-N 3.25Å; M93-A96 PolarHBondContact O-N 2.84Å; M93-A96 VanDerWaalsContact O-N 3.12Å; A96-H98 PolarHBondContact O-N 3.33Å; A96-T99 WeakPolarHBondContact O-CB 3.47Å; A96-T99 PolarHBondContact O-N 3.27Å; A96-T99 VanDerWaalsContact O-N 3.15Å; A96-V100 WeakPolarHBondContact O-CG2 3.34Å; A96-V100 PolarHBondContact O-N 3.41Å; A96-L149 HydrophobicContact CB-CD2 4.21Å
97	M	78.9	Confident	84.5	Confident	21 Å²	21	65 Å²	65	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-43	177.1	-68.3	175.5	82.2	0	0	111.9	E13 H17 M93 T99 V100 R101	E13-M97 HydrophobicContact CG-CE 3.68Å; E13-M97 WeakPolarHBondContact OE1-CE 3.44Å; H17-M97 HydrophobicContact CB-CG 4.41Å; M93-M97 HydrophobicContact CG-CG 4.26Å; M93-M97 HydrophobicContact CG-SD 3.91Å; M93-M97 WeakPolarHBondContact O-CB 3.43Å; M93-M97 WeakPolarHBondContact O-CG 3.47Å; M93-M97 PolarHBondContact O-N 3.45Å; M93-M97 HydrophobicContact SD-CG 4.21Å; M93-M97 HydrophobicContact SD-SD 4.43Å; M97-T99 VanDerWaalsContact C-N 3.32Å; M97-T99 PolarHBondContact O-N 3.48Å; M97-V100 PolarHBondContact O-N 2.9Å; M97-R101 WeakPolarHBondContact O-CB 3.25Å; M97-R101 WeakPolarHBondContact O-CG 3.35Å; M97-R101 PolarHBondContact O-N 3.44Å
98	H	84.2	Confident	84.6	Confident	105 Å²	105	67.2 Å²	67.2	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-61.3	-42.6	174.8	178	-92.4	0	0	0	111.5	G94 A96 M102	G94-H98 WeakPolarHBondContact O-CB 3.34Å; G94-H98 PolarHBondContact O-N 3.1Å; A96-H98 PolarHBondContact O-N 3.33Å; H98-M102 VanDerWaalsContact NE2-CE 3.25Å; H98-M102 WeakPolarHBondContact NE2-CE 3.28Å; H98-M102 WeakPolarHBondContact O-CB 3.49Å; H98-M102 VanDerWaalsContact O-CG 3.25Å; H98-M102 WeakPolarHBondContact O-CG 3.3Å; H98-M102 PolarHBondContact O-N 3.4Å
99	T	81.9	Confident	84.6	Confident	25 Å²	25	74.2 Å²	74.2	15%	0.153	36%	0.355	C	S	.	.	H	α-helix	trans	-63.7	-45.7	178.2	-57.7	0	0	0	0	111.5	H95 A96 M97 M102 Q103 L149	H95-T99 WeakPolarHBondContact O-CB 3.2Å; H95-T99 PolarHBondContact O-N 2.98Å; H95-T99 PolarHBondContact O-OG1 3.44Å; A96-T99 WeakPolarHBondContact O-CB 3.47Å; A96-T99 PolarHBondContact O-N 3.27Å; A96-T99 VanDerWaalsContact O-N 3.15Å; M97-T99 VanDerWaalsContact C-N 3.32Å; M97-T99 PolarHBondContact O-N 3.48Å; T99-M102 PolarHBondContact O-N 2.46Å; T99-Q103 WeakPolarHBondContact O-CG 3.18Å; T99-Q103 PolarHBondContact O-N 3.18Å; T99-L149 HydrophobicContact CG2-CD1 4.17Å; T99-L149 HydrophobicContact CG2-CD2 4.28Å; T99-L149 HydrophobicContact CG2-CG 4.34Å
100	V	79.1	Confident	85	Confident	30 Å²	30	78.5 Å²	78.5	18%	0.182	37%	0.372	C	S	.	.	H	α-helix	trans	-61.8	-49.7	177.2	172.3	0	0	0	0	110.7	A96 M97 M102 Q103 E104	A96-V100 WeakPolarHBondContact O-CG2 3.34Å; A96-V100 PolarHBondContact O-N 3.41Å; M97-V100 PolarHBondContact O-N 2.9Å; V100-M102 VanDerWaalsContact C-N 3.29Å; V100-M102 PolarHBondContact O-N 2.91Å; V100-Q103 WeakPolarHBondContact O-CB 3.38Å; V100-Q103 PolarHBondContact O-N 3.34Å; V100-E104 WeakPolarHBondContact CG1-OE1 3.5Å; V100-E104 WeakPolarHBondContact O-CG 3.33Å; V100-E104 PolarHBondContact O-N 2.98Å
101	R	83.4	Confident	85.3	Confident	122 Å²	122	78 Å²	78	46%	0.46	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-36.8	177	-73.8	-177.2	-179.9	119.2	1.8	112.9	E13 M97 K105	E13-R101 IonicContact OE1-NH2 3.91Å; M97-R101 WeakPolarHBondContact O-CB 3.25Å; M97-R101 WeakPolarHBondContact O-CG 3.35Å; M97-R101 PolarHBondContact O-N 3.44Å; R101-K105 WeakPolarHBondContact O-CB 3.31Å; R101-K105 WeakPolarHBondContact O-CG 3.49Å; R101-K105 PolarHBondContact O-N 3.01Å
102	M	87.9	Confident	85.3	Confident	84 Å²	84	78.9 Å²	78.9	41%	0.414	37%	0.373	S	S	.	.	H	α-helix	trans	-69.8	-35.4	175.6	-75.8	-63.9	173.5	0	0	112.3	H98 T99 V100 R106	H98-M102 VanDerWaalsContact NE2-CE 3.25Å; H98-M102 WeakPolarHBondContact NE2-CE 3.28Å; H98-M102 WeakPolarHBondContact O-CB 3.49Å; H98-M102 VanDerWaalsContact O-CG 3.25Å; H98-M102 WeakPolarHBondContact O-CG 3.3Å; H98-M102 PolarHBondContact O-N 3.4Å; T99-M102 PolarHBondContact O-N 2.46Å; V100-M102 VanDerWaalsContact C-N 3.29Å; V100-M102 PolarHBondContact O-N 2.91Å; M102-R106 VanDerWaalsContact O-CG 3.31Å; M102-R106 WeakPolarHBondContact O-CG 3.49Å; M102-R106 PolarHBondContact O-N 3.43Å
103	Q	85.3	Confident	85.4	Confident	96 Å²	96	86.3 Å²	86.3	45%	0.449	40%	0.401	S	S	.	.	H	α-helix	trans	-68.2	-43.2	174.1	-74.1	177	-19.1	0	0	111.7	T99 V100 R106 K107	T99-Q103 WeakPolarHBondContact O-CG 3.18Å; T99-Q103 PolarHBondContact O-N 3.18Å; V100-Q103 WeakPolarHBondContact O-CB 3.38Å; V100-Q103 PolarHBondContact O-N 3.34Å; Q103-R106 PolarHBondContact O-N 3.37Å; Q103-K107 WeakPolarHBondContact O-CG 3.42Å; Q103-K107 PolarHBondContact O-N 2.96Å
104	E	84.2	Confident	85.7	Confident	82 Å²	82	88.8 Å²	88.8	38%	0.383	42%	0.424	S	S	.	.	H	α-helix	trans	-59.4	-47.7	174.4	-72.3	168	178.7	0	0	111.5	V100 R106 K107 L108	V100-E104 WeakPolarHBondContact CG1-OE1 3.5Å; V100-E104 WeakPolarHBondContact O-CG 3.33Å; V100-E104 PolarHBondContact O-N 2.98Å; E104-R106 VanDerWaalsContact C-N 3.29Å; E104-R106 PolarHBondContact O-N 3.39Å; E104-K107 PolarHBondContact O-N 3.44Å; E104-L108 WeakPolarHBondContact O-CB 3.31Å; E104-L108 WeakPolarHBondContact O-CG 3.22Å; E104-L108 PolarHBondContact O-N 3.24Å
105	K	90	Very high	85.8	Confident	120 Å²	120	94.6 Å²	94.6	52%	0.522	44%	0.438	S	S	.	.	H	α-helix	trans	-60.2	-36	175.2	-75.4	180	179.6	-176.2	0	113	R101 R109	R101-K105 WeakPolarHBondContact O-CB 3.31Å; R101-K105 WeakPolarHBondContact O-CG 3.49Å; R101-K105 PolarHBondContact O-N 3.01Å; K105-R109 VanDerWaalsContact O-CG 3.27Å; K105-R109 WeakPolarHBondContact O-CG 3.2Å; K105-R109 PolarHBondContact O-N 3.19Å; K105-R109 VanDerWaalsContact O-N 3.15Å
106	R	89.7	Confident	85.5	Confident	174 Å²	174	98.8 Å²	98.8	66%	0.657	46%	0.457	S	S	*	.	H	α-helix	trans	-69.1	-45.7	175.1	-76.4	177.2	-178.2	-155.2	1	111.6	M102 Q103 E104 L108 R109 E110	M102-R106 VanDerWaalsContact O-CG 3.31Å; M102-R106 WeakPolarHBondContact O-CG 3.49Å; M102-R106 PolarHBondContact O-N 3.43Å; Q103-R106 PolarHBondContact O-N 3.37Å; E104-R106 VanDerWaalsContact C-N 3.29Å; E104-R106 PolarHBondContact O-N 3.39Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 2.98Å; R106-R109 PolarHBondContact O-N 3.39Å; R106-E110 WeakPolarHBondContact O-CG 3.33Å; R106-E110 PolarHBondContact O-N 3.5Å
107	K	88.9	Confident	85.1	Confident	94 Å²	94	104.7 Å²	104.7	41%	0.409	49%	0.492	S	S	.	.	H	α-helix	trans	-59.3	-41.4	175.9	-72.5	179.9	176.5	-171.7	0	111.9	Q103 E104 E110 A111 C135	Q103-K107 WeakPolarHBondContact O-CG 3.42Å; Q103-K107 PolarHBondContact O-N 2.96Å; E104-K107 PolarHBondContact O-N 3.44Å; K107-E110 PolarHBondContact O-N 2.92Å; K107-A111 WeakPolarHBondContact O-CB 3.38Å; K107-A111 PolarHBondContact O-N 3Å; K107-C135 PolarHBondContact NZ-SG 2.93Å
108	L	90.8	Very high	84.2	Confident	109 Å²	109	113.9 Å²	113.9	57%	0.571	53%	0.525	S	S	*	.	H	α-helix	trans	-61.3	-47	174.6	-74.1	163.8	0	0	0	111.6	E104 R106 E110 A111 E112	E104-L108 WeakPolarHBondContact O-CB 3.31Å; E104-L108 WeakPolarHBondContact O-CG 3.22Å; E104-L108 PolarHBondContact O-N 3.24Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 2.98Å; L108-E110 PolarHBondContact O-N 3.41Å; L108-A111 PolarHBondContact O-N 3.32Å; L108-E112 WeakPolarHBondContact O-CG 3.1Å; L108-E112 PolarHBondContact O-N 3.31Å
109	R	89.8	Confident	82.3	Confident	160 Å²	160	111.5 Å²	111.5	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-37.4	176.8	-71.8	171.8	-179.5	-169.3	-0.7	113.1	K105 R106 R113	K105-R109 VanDerWaalsContact O-CG 3.27Å; K105-R109 WeakPolarHBondContact O-CG 3.2Å; K105-R109 PolarHBondContact O-N 3.19Å; K105-R109 VanDerWaalsContact O-N 3.15Å; R106-R109 PolarHBondContact O-N 3.39Å; R109-R113 WeakPolarHBondContact O-CG 3.36Å; R109-R113 PolarHBondContact O-N 3.47Å
110	E	89.5	Confident	80.7	Confident	123 Å²	123	116.9 Å²	116.9	58%	0.575	57%	0.568	S	S	*	*	H	α-helix	trans	-68.6	-38.7	175.4	-73.6	170	-171.7	0	0	111.3	R106 K107 L108 R113 A114	R106-E110 WeakPolarHBondContact O-CG 3.33Å; R106-E110 PolarHBondContact O-N 3.5Å; K107-E110 PolarHBondContact O-N 2.92Å; L108-E110 PolarHBondContact O-N 3.41Å; E110-R113 PolarHBondContact O-N 2.82Å; E110-A114 VanDerWaalsContact O-CB 3.3Å; E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 2.79Å
111	A	89.5	Confident	78.9	Confident	49 Å²	49	118 Å²	118	41%	0.405	59%	0.586	S	S	.	*	H	α-helix	trans	-66.5	-37.3	173.7	0	0	0	0	0	112.6	K107 L108 K115	K107-A111 WeakPolarHBondContact O-CB 3.38Å; K107-A111 PolarHBondContact O-N 3Å; L108-A111 PolarHBondContact O-N 3.32Å; A111-K115 VanDerWaalsContact O-CG 3.29Å; A111-K115 WeakPolarHBondContact O-CG 3.36Å; A111-K115 PolarHBondContact O-N 3.44Å; A111-K115 VanDerWaalsContact O-N 3.08Å
112	E	87.7	Confident	76.8	Confident	117 Å²	117	117.1 Å²	117.1	55%	0.547	60%	0.598	S	S	.	*	H	α-helix	trans	-64.7	-47.9	172.8	-74.4	171.6	170.5	0	0	111.6	L108 A114 K115 E116	L108-E112 WeakPolarHBondContact O-CG 3.1Å; L108-E112 PolarHBondContact O-N 3.31Å; E112-A114 VanDerWaalsContact C-N 3.32Å; E112-A114 PolarHBondContact O-N 2.99Å; E112-K115 WeakPolarHBondContact O-CB 3.47Å; E112-K115 PolarHBondContact O-N 2.89Å; E112-K115 VanDerWaalsContact O-N 3.08Å; E112-E116 PolarHBondContact O-N 3.48Å
113	R	86.8	Confident	74.5	Confident	175 Å²	175	124 Å²	124	66%	0.66	62%	0.621	S	S	*	*	H	α-helix	trans	-61.8	-38.8	175.6	-72.2	176.4	-176.2	-172.4	-0.7	112.5	R109 E110 K115 E116 V117	R109-R113 WeakPolarHBondContact O-CG 3.36Å; R109-R113 PolarHBondContact O-N 3.47Å; E110-R113 PolarHBondContact O-N 2.82Å; R113-K115 VanDerWaalsContact C-N 3.27Å; R113-K115 PolarHBondContact O-N 3.31Å; R113-E116 PolarHBondContact O-N 3.34Å; R113-V117 WeakPolarHBondContact O-CG2 3.18Å; R113-V117 PolarHBondContact O-N 3.33Å; R113-V117 VanDerWaalsContact O-N 3.09Å
114	A	85.4	Confident	72.4	Confident	62 Å²	62	127.4 Å²	127.4	51%	0.512	64%	0.637	S	S	.	*	H	α-helix	trans	-65.1	-31.4	175.3	0	0	0	0	0	112.4	E110 E112 R118	E110-A114 VanDerWaalsContact O-CB 3.3Å; E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 2.79Å; E112-A114 VanDerWaalsContact C-N 3.32Å; E112-A114 PolarHBondContact O-N 2.99Å; A114-R118 PolarHBondContact O-N 2.95Å
115	K	82.9	Confident	70.1	Confident	162 Å²	162	134.4 Å²	134.4	70%	0.704	66%	0.661	S	S	*	*	H	α-helix	trans	-72	-39.5	172.9	-73.4	171.4	-178.3	-178.7	0	112.4	A111 E112 R113 R118	A111-K115 VanDerWaalsContact O-CG 3.29Å; A111-K115 WeakPolarHBondContact O-CG 3.36Å; A111-K115 PolarHBondContact O-N 3.44Å; A111-K115 VanDerWaalsContact O-N 3.08Å; E112-K115 WeakPolarHBondContact O-CB 3.47Å; E112-K115 PolarHBondContact O-N 2.89Å; E112-K115 VanDerWaalsContact O-N 3.08Å; R113-K115 VanDerWaalsContact C-N 3.27Å; R113-K115 PolarHBondContact O-N 3.31Å; K115-R118 PolarHBondContact O-N 3.21Å
116	E	77.5	Confident	67.8	Low	155 Å²	155	133.1 Å²	133.1	72%	0.724	67%	0.665	S	S	*	*	H	α-helix	trans	-65.8	-41.7	177.8	-72.5	179.9	168.9	0	0	112.5	E112 R113 R118 G119	E112-E116 PolarHBondContact O-N 3.48Å; R113-E116 PolarHBondContact O-N 3.34Å; E116-R118 VanDerWaalsContact C-N 3.31Å; E116-R118 PolarHBondContact O-N 2.97Å; E116-G119 PolarHBondContact O-N 3.47Å
117	V	74.4	Confident	65.6	Low	133 Å²	133	128.4 Å²	128.4	81%	0.806	66%	0.656	S	S	*	*	H	α-helix	trans	-68.9	-29.1	178.4	176.7	0	0	0	0	112.1	R113 G119	R113-V117 WeakPolarHBondContact O-CG2 3.18Å; R113-V117 PolarHBondContact O-N 3.33Å; R113-V117 VanDerWaalsContact O-N 3.09Å; V117-G119 PolarHBondContact O-N 3.34Å; V117-G119 VanDerWaalsContact O-N 3.15Å
118	R	59.5	Low	63.5	Low	214 Å²	214	127.9 Å²	127.9	81%	0.808	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	24.8	175.7	-103.6	-178.5	179.5	-173.6	-0.6	114	A114 K115 E116 S120	A114-R118 PolarHBondContact O-N 2.95Å; K115-R118 PolarHBondContact O-N 3.21Å; E116-R118 VanDerWaalsContact C-N 3.31Å; E116-R118 PolarHBondContact O-N 2.97Å; R118-S120 PolarHBondContact O-N 2.96Å
119	G	45.2	Very low	61.2	Low	55 Å²	55	130.9 Å²	130.9	57%	0.567	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-23.8	117.3	-177.7	0	0	0	0	0	115.9	E116 V117 G121	E116-G119 PolarHBondContact O-N 3.47Å; V117-G119 PolarHBondContact O-N 3.34Å; V117-G119 VanDerWaalsContact O-N 3.15Å; G119-G121 PolarHBondContact O-N 2.94Å; G119-G121 VanDerWaalsContact O-N 3.08Å
120	S	47.3	Very low	58.7	Low	139 Å²	139	130.1 Å²	130.1	97%	0.972	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.1	25.7	155.3	-156.8	0	0	0	0	119.1	R118	R118-S120 PolarHBondContact O-N 2.96Å
121	G	41.8	Very low	56.3	Low	54 Å²	54	127 Å²	127	56%	0.557	68%	0.676	S	S	*	*			trans	-136.4	111.6	-179.7	0	0	0	0	0	114.9	G119	G119-G121 PolarHBondContact O-N 2.94Å; G119-G121 VanDerWaalsContact O-N 3.08Å
122	S	39.6	Very low	53.9	Low	102 Å²	102	132.3 Å²	132.3	71%	0.713	69%	0.693	S	S	*	*			trans	71.9	111	171.6	79.1	0	0	0	0	117.8	E124	S122-E124 PolarHBondContact O-N 3.3Å
123	Y	39.5	Very low	51.4	Low	228 Å²	228	130.7 Å²	130.7	89%	0.894	69%	0.687	S	S	*	*			trans	-73.6	95.3	167.9	5.2	-94.4	0	0	0	108
124	E	39.9	Very low	48.6	Very low	168 Å²	168	125.9 Å²	125.9	79%	0.785	68%	0.68	S	S	*	*			trans	-129.5	98	159.3	-161.7	156	118.4	0	0	107.3	S122 P126	S122-E124 PolarHBondContact O-N 3.3Å; E124-P126 WeakPolarHBondContact O-CD 3.38Å
125	Y	37.5	Very low	46.2	Very low	229 Å²	229	125.2 Å²	125.2	90%	0.898	67%	0.672	S	S	*	*			trans	-63.1	117.9	161.6	-111.5	-103.4	0	0	0	106.3
126	P	40.4	Very low	44	Very low	93 Å²	93	123.9 Å²	123.9	60%	0.604	66%	0.662	S	S	*	*				-141.7	148.2	124.7	39.9	-26.5	0	0	0	111.1	E124	E124-P126 WeakPolarHBondContact O-CD 3.38Å
127	V	45	Very low	41.6	Very low	76 Å²	76	122.3 Å²	122.3	46%	0.461	66%	0.655	S	S	.	*			trans	83.9	51.5	152.5	-152.2	0	0	0	0	118.4	E129 K130	V127-E129 VanDerWaalsContact C-N 3.27Å; V127-K130 HydrophobicContact CG1-CB 3.24Å; V127-K130 HydrophobicContact CG1-CD 3.54Å; V127-K130 HydrophobicContact CG1-CG 3.41Å; V127-K130 VanDerWaalsContact CG1-CG 3.41Å
128	A	44	Very low	39.7	Very low	82 Å²	82	124.3 Å²	124.3	68%	0.678	66%	0.656	S	S	*	*	S	Bend	trans	-75.7	-21.7	153.2	0	0	0	0	0	111.6
129	E	41.3	Very low	38.2	Very low	172 Å²	172	118.4 Å²	118.4	80%	0.804	66%	0.661	S	S	*	*	H	α-helix	trans	-80.6	-27.9	-174.5	-160.3	176.2	148.5	0	0	114.2	V127	V127-E129 VanDerWaalsContact C-N 3.27Å
130	K	37.4	Very low	37.4	Very low	144 Å²	144	121 Å²	121	63%	0.626	66%	0.662	S	S	*	*	H	α-helix	trans	-83.7	-7.8	174.9	-53.4	173.9	-177.5	179.7	0	114	V127 S134	V127-K130 HydrophobicContact CG1-CB 3.24Å; V127-K130 HydrophobicContact CG1-CD 3.54Å; V127-K130 HydrophobicContact CG1-CG 3.41Å; V127-K130 VanDerWaalsContact CG1-CG 3.41Å; K130-S134 PolarHBondContact O-N 3.44Å
131	A	39.5	Very low	36.7	Very low	57 Å²	57	118.2 Å²	118.2	47%	0.471	66%	0.655	S	S	.	*	H	α-helix	trans	-78	-35.6	177.5	0	0	0	0	0	111.8	L133 S134	A131-L133 VanDerWaalsContact C-N 3.3Å; A131-S134 PolarHBondContact O-N 3.48Å; A131-S134 PolarHBondContact O-OG 2.83Å
132	E	38.9	Very low	36.5	Very low	162 Å²	162	124.1 Å²	124.1	76%	0.757	66%	0.66	S	S	*	*	H	α-helix	trans	-69.7	-30.8	171	-67.8	-164.3	149.4	0	0	111.9
133	L	34.8	Very low	37	Very low	82 Å²	82	123 Å²	123	43%	0.429	65%	0.646	S	S	.	*	H	α-helix	trans	-67	-33.8	173.7	-142.9	85.7	0	0	0	112.9	A131 C135 W136 E137	A131-L133 VanDerWaalsContact C-N 3.3Å; L133-C135 VanDerWaalsContact C-N 3.27Å; L133-C135 PolarHBondContact O-N 3.26Å; L133-W136 CarbonylContact O-C 3.52Å; L133-W136 PolarHBondContact O-N 3.49Å; L133-E137 WeakPolarHBondContact CD1-OE2 3.34Å; L133-E137 HydrophobicContact CD2-CB 4.37Å; L133-E137 HydrophobicContact CD2-CG 4.4Å; L133-E137 WeakPolarHBondContact CD2-OE2 3.46Å; L133-E137 HydrophobicContact CG-CB 4.08Å; L133-E137 WeakPolarHBondContact CG-OE2 3.08Å; L133-E137 WeakPolarHBondContact O-CB 3.45Å; L133-E137 PolarHBondContact O-N 2.91Å
134	S	29.7	Very low	37.6	Very low	74 Å²	74	115.3 Å²	115.3	52%	0.517	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	-14.1	-176	73.5	0	0	0	0	115.5	K130 A131	K130-S134 PolarHBondContact O-N 3.44Å; A131-S134 PolarHBondContact O-N 3.48Å; A131-S134 PolarHBondContact O-OG 2.83Å
135	C	35.2	Very low	38.5	Very low	49 Å²	49	108.9 Å²	108.9	33%	0.331	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-15.5	170.6	-87.7	0	0	0	0	112.7	K107 L133	K107-C135 PolarHBondContact NZ-SG 2.93Å; L133-C135 VanDerWaalsContact C-N 3.27Å; L133-C135 PolarHBondContact O-N 3.26Å
136	W	35.2	Very low	39.9	Very low	134 Å²	134	105.1 Å²	105.1	51%	0.508	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.8	-2.3	-173.1	-62.8	100.5	0	0	0	114.2	H17 L133	H17-W136 AromaticContact ND1-CH2 3.63Å; H17-W136 AromaticContact ND1-CZ2 3.62Å; L133-W136 CarbonylContact O-C 3.52Å; L133-W136 PolarHBondContact O-N 3.49Å
137	E	27.6	Very low	41.7	Very low	122 Å²	122	103.5 Å²	103.5	57%	0.57	59%	0.591	S	S	*	*			trans	-133.5	84.9	-171.4	-156.9	165	140.4	0	0	112.8	L133	L133-E137 WeakPolarHBondContact CD1-OE2 3.34Å; L133-E137 HydrophobicContact CD2-CB 4.37Å; L133-E137 HydrophobicContact CD2-CG 4.4Å; L133-E137 WeakPolarHBondContact CD2-OE2 3.46Å; L133-E137 HydrophobicContact CG-CB 4.08Å; L133-E137 WeakPolarHBondContact CG-OE2 3.08Å; L133-E137 WeakPolarHBondContact O-CB 3.45Å; L133-E137 PolarHBondContact O-N 2.91Å
138	E	33.6	Very low	43.5	Very low	175 Å²	175	104.7 Å²	104.7	82%	0.818	60%	0.598	S	S	*	*	S	Bend	trans	-109.3	117.9	138.7	-90.4	-174.6	152.3	0	0	105.2	N140	E138-N140 PolarHBondContact O-N 3Å
139	G	29.3	Very low	45.4	Very low	89 Å²	89	102.2 Å²	102.2	92%	0.918	57%	0.574	S	S	*	*	S	Bend	trans	-57.7	49.8	-169.6	0	0	0	0	0	117.7
140	N	28.8	Very low	47.4	Very low	111 Å²	111	96.4 Å²	96.4	59%	0.594	55%	0.548	S	S	*	.	S	Bend	trans	-161.4	55.6	172.1	-164.9	8.4	0	0	0	111.5	E138 R142	E138-N140 PolarHBondContact O-N 3Å; N140-R142 WeakPolarHBondContact O-CB 3.3Å; N140-R142 VanDerWaalsContact O-CG 3.23Å; N140-R142 WeakPolarHBondContact O-CG 3.24Å; N140-R142 PolarHBondContact O-N 3.4Å
141	G	31.8	Very low	49.7	Very low	80 Å²	80	95.1 Å²	95.1	83%	0.825	55%	0.548	S	S	*	.	S	Bend	trans	47.9	18	155.2	0	0	0	0	0	119.7
142	R	36.7	Very low	52	Low	177 Å²	177	94.4 Å²	94.4	67%	0.668	54%	0.537	S	S	*	.			trans	-121.1	89.5	-170	-74.1	171.8	-176.3	-170.3	4.1	108.7	N140 A144	N140-R142 WeakPolarHBondContact O-CB 3.3Å; N140-R142 VanDerWaalsContact O-CG 3.23Å; N140-R142 WeakPolarHBondContact O-CG 3.24Å; N140-R142 PolarHBondContact O-N 3.4Å; R142-A144 PolarHBondContact O-N 2.85Å
143	I	50.1	Low	54.2	Low	80 Å²	80	87 Å²	87	41%	0.41	50%	0.503	S	S	.	.			trans	-51.4	107.9	161.3	-56.9	167	0	0	0	106.2	S18 T19 L145	S18-I143 WeakPolarHBondContact O-CD1 3.49Å; T19-I143 HydrophobicContact CG2-CD1 4.38Å; I143-L145 VanDerWaalsContact C-N 3.25Å; I143-L145 HydrophobicContact CG2-CD1 3.98Å; I143-L145 PolarHBondContact O-N 3.22Å
144	A	51.9	Low	56.8	Low	65 Å²	65	85 Å²	85	54%	0.537	49%	0.494	S	S	.	.			trans	-73.5	84.9	-178.7	0	0	0	0	0	108.3	R142 Q146	R142-A144 PolarHBondContact O-N 2.85Å; A144-Q146 HydrophobicContact CB-CG 4.13Å; A144-Q146 PolarHBondContact O-N 2.96Å
145	L	60.5	Low	59.8	Low	33 Å²	33	84.4 Å²	84.4	17%	0.173	49%	0.489	C	S	.	.			trans	-60.3	84.2	164.1	-103	76.2	0	0	0	107.9	T19 I143 L150 Y153	T19-L145 HydrophobicContact CG2-CD1 3.92Å; I143-L145 VanDerWaalsContact C-N 3.25Å; I143-L145 HydrophobicContact CG2-CD1 3.98Å; I143-L145 PolarHBondContact O-N 3.22Å; L145-L150 HydrophobicContact CB-CB 4.37Å; L145-L150 HydrophobicContact CB-CD1 4.22Å; L145-L150 HydrophobicContact CD2-CD1 4.08Å; L145-Y153 HydrophobicContact CD2-CD1 3.59Å; L145-Y153 HydrophobicContact CD2-CD2 4.4Å; L145-Y153 HydrophobicContact CD2-CE1 4.3Å; L145-Y153 HydrophobicContact CD2-CG 3.64Å
146	Q	66.7	Low	62.4	Low	151 Å²	151	82.5 Å²	82.5	71%	0.706	48%	0.476	S	S	*	.			trans	-109.7	143.5	177.8	-73.9	-172.2	-7.9	0	0	110.3	A144	A144-Q146 HydrophobicContact CB-CG 4.13Å; A144-Q146 PolarHBondContact O-N 2.96Å
147	G	77.4	Confident	65.1	Low	59 Å²	59	76.1 Å²	76.1	61%	0.608	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	-129.7	172.8	0	0	0	0	0	114.8	L149 L150 N151	G147-L149 VanDerWaalsContact C-N 3.33Å; G147-L149 PolarHBondContact O-N 3.25Å; G147-L150 PolarHBondContact O-N 2.98Å; G147-N151 PolarHBondContact O-N 3.5Å
148	T	83.3	Confident	68.2	Low	100 Å²	100	74.3 Å²	74.3	61%	0.613	45%	0.445	S	S	*	.	H	α-helix	trans	-61.8	-36.5	-172.7	51.4	0	0	0	0	112.9	L150 N151 T152	T148-L150 VanDerWaalsContact C-N 3.33Å; T148-L150 PolarHBondContact O-N 3.4Å; T148-N151 PolarHBondContact O-N 3.08Å; T148-T152 PolarHBondContact O-N 3.45Å; T148-T152 PolarHBondContact O-OG1 3.07Å
149	L	83.1	Confident	71.1	Confident	31 Å²	31	69.5 Å²	69.5	16%	0.162	43%	0.425	C	S	.	.	H	α-helix	trans	-64.8	-34.6	178	-73	172	0	0	0	112.9	A96 T99 G147 T152 Y153	A96-L149 HydrophobicContact CB-CD2 4.21Å; T99-L149 HydrophobicContact CG2-CD1 4.17Å; T99-L149 HydrophobicContact CG2-CD2 4.28Å; T99-L149 HydrophobicContact CG2-CG 4.34Å; G147-L149 VanDerWaalsContact C-N 3.33Å; G147-L149 PolarHBondContact O-N 3.25Å; L149-T152 PolarHBondContact O-OG1 3.28Å; L149-T152 VanDerWaalsContact O-OG1 3.1Å; L149-Y153 VanDerWaalsContact O-CB 3.28Å; L149-Y153 WeakPolarHBondContact O-CB 3.32Å; L149-Y153 PolarHBondContact O-N 2.95Å
150	L	83.7	Confident	74.1	Confident	49 Å²	49	65.6 Å²	65.6	26%	0.257	38%	0.382	S	S	.	.	H	α-helix	trans	-69.3	-38.7	174.5	-178.9	64.8	0	0	0	111.1	L145 G147 T148 Y153 V154	L145-L150 HydrophobicContact CB-CB 4.37Å; L145-L150 HydrophobicContact CB-CD1 4.22Å; L145-L150 HydrophobicContact CD2-CD1 4.08Å; G147-L150 PolarHBondContact O-N 2.98Å; T148-L150 VanDerWaalsContact C-N 3.33Å; T148-L150 PolarHBondContact O-N 3.4Å; L150-Y153 WeakPolarHBondContact O-CB 3.3Å; L150-Y153 PolarHBondContact O-N 2.96Å; L150-V154 HydrophobicContact CD1-CG2 4.28Å; L150-V154 HydrophobicContact CG-CG2 4.47Å; L150-V154 WeakPolarHBondContact O-CG2 3.43Å; L150-V154 PolarHBondContact O-N 3.03Å
151	N	86.9	Confident	77.2	Confident	118 Å²	118	61.1 Å²	61.1	63%	0.631	36%	0.359	S	S	*	.	H	α-helix	trans	-65.8	-45.6	179.1	-167.5	35.9	0	0	0	111.4	G147 T148 Y153 V154 C155	G147-N151 PolarHBondContact O-N 3.5Å; T148-N151 PolarHBondContact O-N 3.08Å; N151-Y153 VanDerWaalsContact C-N 3.29Å; N151-Y153 PolarHBondContact O-N 2.88Å; N151-V154 PolarHBondContact O-N 3.42Å; N151-C155 VanDerWaalsContact O-CB 3.32Å; N151-C155 WeakPolarHBondContact O-CB 3.41Å; N151-C155 PolarHBondContact O-N 3.27Å
152	T	87.4	Confident	80.2	Confident	41 Å²	41	62 Å²	62	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-64.6	-35.8	175.1	55.6	0	0	0	0	111.7	T148 L149 C155 S156	T148-T152 PolarHBondContact O-N 3.45Å; T148-T152 PolarHBondContact O-OG1 3.07Å; L149-T152 PolarHBondContact O-OG1 3.28Å; L149-T152 VanDerWaalsContact O-OG1 3.1Å; T152-C155 PolarHBondContact O-N 2.64Å; T152-S156 WeakPolarHBondContact O-CB 3.42Å; T152-S156 PolarHBondContact O-N 2.91Å
153	Y	85.2	Confident	83	Confident	7 Å²	7	56.9 Å²	56.9	3%	0.027	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-52	173.9	-168.9	-121.5	0	0	0	112.6	Y92 L145 L149 L150 N151 C155 S156 I157 E225 L229	Y92-Y153 AromaticContact CD1-CD2 3.81Å; Y92-Y153 HydrophobicContact CD1-CD2 3.81Å; Y92-Y153 HydrophobicContact CD1-CE2 4.17Å; Y92-Y153 AromaticContact CD2-CD2 3.91Å; Y92-Y153 HydrophobicContact CD2-CD2 3.91Å; Y92-Y153 AromaticContact CE1-CD2 3.45Å; Y92-Y153 HydrophobicContact CE1-CD2 3.45Å; Y92-Y153 VanDerWaalsContact CE1-CD2 3.45Å; Y92-Y153 AromaticContact CE1-CE2 3.76Å; Y92-Y153 HydrophobicContact CE1-CE2 3.76Å; Y92-Y153 AromaticContact CE2-CD2 3.57Å; Y92-Y153 HydrophobicContact CE2-CD2 3.57Å; Y92-Y153 HydrophobicContact CE2-CG 4.02Å; Y92-Y153 HydrophobicContact CG-CD2 4.03Å; Y92-Y153 AromaticContact CZ-CD2 3.31Å; L145-Y153 HydrophobicContact CD2-CD1 3.59Å; L145-Y153 HydrophobicContact CD2-CD2 4.4Å; L145-Y153 HydrophobicContact CD2-CE1 4.3Å; L145-Y153 HydrophobicContact CD2-CG 3.64Å; L149-Y153 VanDerWaalsContact O-CB 3.28Å; L149-Y153 WeakPolarHBondContact O-CB 3.32Å; L149-Y153 PolarHBondContact O-N 2.95Å; L150-Y153 WeakPolarHBondContact O-CB 3.3Å; L150-Y153 PolarHBondContact O-N 2.96Å; N151-Y153 VanDerWaalsContact C-N 3.29Å; N151-Y153 PolarHBondContact O-N 2.88Å; Y153-C155 VanDerWaalsContact C-N 3.32Å; Y153-C155 PolarHBondContact O-N 3.09Å; Y153-S156 WeakPolarHBondContact O-CB 3.42Å; Y153-S156 PolarHBondContact O-N 3.41Å; Y153-S156 VanDerWaalsContact O-N 3.13Å; Y153-S156 PolarHBondContact O-OG 3.49Å; Y153-I157 HydrophobicContact CD1-CD1 3.78Å; Y153-I157 HydrophobicContact CE1-CD1 3.44Å; Y153-I157 VanDerWaalsContact CE1-CD1 3.44Å; Y153-I157 HydrophobicContact CE1-CG1 4.45Å; Y153-I157 HydrophobicContact CE2-CD1 4.41Å; Y153-I157 HydrophobicContact CG-CD1 4.41Å; Y153-I157 PolarHBondContact O-N 3.44Å; Y153-E225 PolarHBondContact OH-OE1 3.36Å; Y153-E225 PolarHBondContact OH-OE2 2.92Å; Y153-L229 HydrophobicContact CD1-CD1 3.82Å; Y153-L229 HydrophobicContact CE1-CD1 3.78Å
154	V	89.7	Confident	85.2	Confident	40 Å²	40	53.2 Å²	53.2	24%	0.242	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-42.8	178.9	172.1	0	0	0	0	110.7	L150 N151 S156 I157 L158 L226	L150-V154 HydrophobicContact CD1-CG2 4.28Å; L150-V154 HydrophobicContact CG-CG2 4.47Å; L150-V154 WeakPolarHBondContact O-CG2 3.43Å; L150-V154 PolarHBondContact O-N 3.03Å; N151-V154 PolarHBondContact O-N 3.42Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 3.5Å; V154-I157 PolarHBondContact O-N 2.99Å; V154-L158 HydrophobicContact CG1-CD1 4.15Å; V154-L158 HydrophobicContact CG1-CG 4.46Å; V154-L158 WeakPolarHBondContact O-CG 3.48Å; V154-L158 PolarHBondContact O-N 2.66Å; V154-L226 HydrophobicContact CG1-CD1 4.13Å
155	C	91.6	Very high	87.3	Confident	61 Å²	61	53 Å²	53	41%	0.412	31%	0.306	S	S	.	.	H	α-helix	trans	-58.8	-43.8	174.8	-170.6	0	0	0	0	111.7	N151 T152 Y153 I157 L158 I159	N151-C155 VanDerWaalsContact O-CB 3.32Å; N151-C155 WeakPolarHBondContact O-CB 3.41Å; N151-C155 PolarHBondContact O-N 3.27Å; T152-C155 PolarHBondContact O-N 2.64Å; Y153-C155 VanDerWaalsContact C-N 3.32Å; Y153-C155 PolarHBondContact O-N 3.09Å; C155-I157 PolarHBondContact O-N 2.9Å; C155-L158 PolarHBondContact O-N 3.13Å; C155-I159 WeakPolarHBondContact O-CG1 3.31Å; C155-I159 PolarHBondContact O-N 3.44Å
156	S	90.5	Very high	89	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.063	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-40.8	177.5	77.5	0	0	0	0	112.7	T152 Y153 V154 R160	T152-S156 WeakPolarHBondContact O-CB 3.42Å; T152-S156 PolarHBondContact O-N 2.91Å; Y153-S156 WeakPolarHBondContact O-CB 3.42Å; Y153-S156 PolarHBondContact O-N 3.41Å; Y153-S156 VanDerWaalsContact O-N 3.13Å; Y153-S156 PolarHBondContact O-OG 3.49Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 3.5Å; S156-R160 VanDerWaalsContact O-CB 3.24Å; S156-R160 WeakPolarHBondContact O-CB 3.49Å; S156-R160 PolarHBondContact O-N 2.94Å
157	I	90.5	Very high	90.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-42.9	176.5	-66.2	168.9	0	0	0	110.6	Y153 V154 C155 R160 T161 E225 L226 L229	Y153-I157 HydrophobicContact CD1-CD1 3.78Å; Y153-I157 HydrophobicContact CE1-CD1 3.44Å; Y153-I157 VanDerWaalsContact CE1-CD1 3.44Å; Y153-I157 HydrophobicContact CE1-CG1 4.45Å; Y153-I157 HydrophobicContact CE2-CD1 4.41Å; Y153-I157 HydrophobicContact CG-CD1 4.41Å; Y153-I157 PolarHBondContact O-N 3.44Å; V154-I157 PolarHBondContact O-N 2.99Å; C155-I157 PolarHBondContact O-N 2.9Å; I157-R160 PolarHBondContact O-N 3.22Å; I157-T161 VanDerWaalsContact O-CB 3.31Å; I157-T161 WeakPolarHBondContact O-CB 3.39Å; I157-T161 PolarHBondContact O-N 3.4Å; I157-T161 PolarHBondContact O-OG1 2.7Å; I157-E225 HydrophobicContact CD1-CG 3.9Å; I157-L226 HydrophobicContact CG2-CB 4.23Å; I157-L229 HydrophobicContact CD1-CD1 4.22Å
158	L	93.6	Very high	91.4	Very high	84 Å²	84	46.4 Å²	46.4	44%	0.44	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-50.1	178.1	-71.4	173.5	0	0	0	111.2	V154 C155 R160 T161 T162 L226	V154-L158 HydrophobicContact CG1-CD1 4.15Å; V154-L158 HydrophobicContact CG1-CG 4.46Å; V154-L158 WeakPolarHBondContact O-CG 3.48Å; V154-L158 PolarHBondContact O-N 2.66Å; C155-L158 PolarHBondContact O-N 3.13Å; L158-R160 VanDerWaalsContact C-N 3.33Å; L158-R160 PolarHBondContact O-N 3Å; L158-T161 PolarHBondContact O-N 2.96Å; L158-T162 PolarHBondContact O-N 2.86Å; L158-T162 PolarHBondContact O-OG1 2.91Å; L158-T162 VanDerWaalsContact O-OG1 3.13Å; L158-L226 HydrophobicContact CD2-CD2 3.81Å
159	I	94.5	Very high	92	Very high	75 Å²	75	44.8 Å²	44.8	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-46.1	177.3	-63.3	167.7	0	0	0	110.2	P88 C155 T161 T162 M163	P88-I159 HydrophobicContact CB-CB 4.33Å; P88-I159 HydrophobicContact CB-CG2 4.24Å; P88-I159 HydrophobicContact CG-CB 4.16Å; P88-I159 HydrophobicContact CG-CG2 3.58Å; C155-I159 WeakPolarHBondContact O-CG1 3.31Å; C155-I159 PolarHBondContact O-N 3.44Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 2.82Å; I159-T162 PolarHBondContact O-N 2.98Å; I159-M163 HydrophobicContact CG2-CE 4.39Å; I159-M163 HydrophobicContact CG2-CG 4.33Å; I159-M163 VanDerWaalsContact O-CG 3.29Å; I159-M163 WeakPolarHBondContact O-CG 3.47Å; I159-M163 PolarHBondContact O-N 3.41Å
160	R	92	Very high	92.6	Very high	6 Å²	6	44.2 Å²	44.2	2%	0.023	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-46	177.1	-175.4	179	71.5	-150.1	4.4	111.9	V85 S156 I157 L158 M163 E164 S222 E225	V85-R160 HydrophobicContact CG1-CG 3.91Å; S156-R160 VanDerWaalsContact O-CB 3.24Å; S156-R160 WeakPolarHBondContact O-CB 3.49Å; S156-R160 PolarHBondContact O-N 2.94Å; I157-R160 PolarHBondContact O-N 3.22Å; L158-R160 VanDerWaalsContact C-N 3.33Å; L158-R160 PolarHBondContact O-N 3Å; R160-M163 PolarHBondContact O-N 3.45Å; R160-E164 WeakPolarHBondContact O-CB 3.33Å; R160-E164 PolarHBondContact O-N 2.84Å; R160-S222 PolarHBondContact NE-OG 3.45Å; R160-S222 VanDerWaalsContact NE-OG 3.09Å; R160-S222 PolarHBondContact NH2-OG 2.85Å; R160-E225 IonicContact NH2-OE2 3.55Å
161	T	93.7	Very high	93.2	Very high	18 Å²	18	42.7 Å²	42.7	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-46.5	179	-58.2	0	0	0	0	110.7	I157 L158 I159 M163 E164 V165 L219 L223	I157-T161 VanDerWaalsContact O-CB 3.31Å; I157-T161 WeakPolarHBondContact O-CB 3.39Å; I157-T161 PolarHBondContact O-N 3.4Å; I157-T161 PolarHBondContact O-OG1 2.7Å; L158-T161 PolarHBondContact O-N 2.96Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 2.82Å; T161-M163 PolarHBondContact O-N 3.24Å; T161-E164 PolarHBondContact O-N 3.45Å; T161-V165 WeakPolarHBondContact O-CB 3.37Å; T161-V165 VanDerWaalsContact O-CG2 3.29Å; T161-V165 WeakPolarHBondContact O-CG2 3.31Å; T161-V165 PolarHBondContact O-N 3.35Å; T161-L219 HydrophobicContact CG2-CD1 3.62Å; T161-L223 HydrophobicContact CG2-CD2 4.03Å
162	T	96.1	Very high	93.6	Very high	98 Å²	98	43.7 Å²	43.7	60%	0.601	25%	0.249	S	C	*	.	H	α-helix	trans	-61.8	-43.5	177.1	-60	0	0	0	0	111.8	L158 I159 G166	L158-T162 PolarHBondContact O-N 2.86Å; L158-T162 PolarHBondContact O-OG1 2.91Å; L158-T162 VanDerWaalsContact O-OG1 3.13Å; I159-T162 PolarHBondContact O-N 2.98Å; T162-G166 PolarHBondContact O-N 2.99Å
163	M	95.6	Very high	94	Very high	69 Å²	69	49.5 Å²	49.5	34%	0.34	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-48.9	176.4	-67.3	-60.9	175	0	0	111	V85 I159 R160 T161 V165 G166 F167	V85-M163 HydrophobicContact CG2-CB 4.41Å; I159-M163 HydrophobicContact CG2-CE 4.39Å; I159-M163 HydrophobicContact CG2-CG 4.33Å; I159-M163 VanDerWaalsContact O-CG 3.29Å; I159-M163 WeakPolarHBondContact O-CG 3.47Å; I159-M163 PolarHBondContact O-N 3.41Å; R160-M163 PolarHBondContact O-N 3.45Å; T161-M163 PolarHBondContact O-N 3.24Å; M163-V165 VanDerWaalsContact C-N 3.35Å; M163-V165 PolarHBondContact O-N 3.22Å; M163-G166 PolarHBondContact O-N 3.37Å; M163-G166 VanDerWaalsContact O-N 3.1Å; M163-F167 VanDerWaalsContact O-CD2 3.25Å; M163-F167 WeakPolarHBondContact O-CD2 3.24Å; M163-F167 PolarHBondContact O-N 2.84Å
164	E	94.8	Very high	94.4	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.014	29%	0.29	C	S	.	.	H	α-helix	trans	-58.8	-45	179.7	-163.8	73.3	-145.2	0	0	111.6	R33 Q81 V85 R160 T161 F167 I168 A215 S218 L219	R33-E164 IonicContact CZ-OE1 3.37Å; R33-E164 IonicContact CZ-OE2 3.68Å; R33-E164 IonicContact NH1-OE1 3.27Å; R33-E164 PolarHBondContact NH1-OE1 2.94Å; R33-E164 IonicContact NH1-OE2 3.02Å; R33-E164 PolarHBondContact NH1-OE2 3.3Å; R33-E164 VanDerWaalsContact NH2-CD 3.32Å; R33-E164 IonicContact NH2-OE1 2.73Å; R33-E164 PolarHBondContact NH2-OE1 3.41Å; R33-E164 IonicContact NH2-OE2 3.36Å; R33-E164 PolarHBondContact NH2-OE2 3.5Å; Q81-E164 PolarHBondContact NE2-OE1 3.07Å; V85-E164 WeakPolarHBondContact CG1-OE2 3.38Å; V85-E164 HydrophobicContact CG2-CB 4.47Å; V85-E164 WeakPolarHBondContact CG2-OE2 3.41Å; R160-E164 WeakPolarHBondContact O-CB 3.33Å; R160-E164 PolarHBondContact O-N 2.84Å; T161-E164 PolarHBondContact O-N 3.45Å; E164-F167 PolarHBondContact O-N 3.39Å; E164-I168 HydrophobicContact CG-CD1 4.24Å; E164-I168 VanDerWaalsContact O-CG1 3.28Å; E164-I168 WeakPolarHBondContact O-CG1 3.27Å; E164-I168 PolarHBondContact O-N 2.99Å; E164-A215 WeakPolarHBondContact OE1-CA 3.48Å; E164-A215 VanDerWaalsContact OE1-CB 3.26Å; E164-A215 WeakPolarHBondContact OE1-CB 3.23Å; E164-S218 PolarHBondContact OE1-OG 3.31Å; E164-L219 HydrophobicContact CG-CB 4.36Å
165	V	96.9	Very high	94.5	Very high	60 Å²	60	52.6 Å²	52.6	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-44.6	174.2	172.4	0	0	0	0	111.1	T161 M163 F167 I168 V169 L219	T161-V165 WeakPolarHBondContact O-CB 3.37Å; T161-V165 VanDerWaalsContact O-CG2 3.29Å; T161-V165 WeakPolarHBondContact O-CG2 3.31Å; T161-V165 PolarHBondContact O-N 3.35Å; M163-V165 VanDerWaalsContact C-N 3.35Å; M163-V165 PolarHBondContact O-N 3.22Å; V165-F167 VanDerWaalsContact C-N 3.32Å; V165-F167 PolarHBondContact O-N 3.32Å; V165-I168 PolarHBondContact O-N 3.44Å; V165-V169 HydrophobicContact CG1-CG2 4.09Å; V165-V169 WeakPolarHBondContact O-CB 3.22Å; V165-V169 VanDerWaalsContact O-CG2 3.25Å; V165-V169 WeakPolarHBondContact O-CG2 3.2Å; V165-V169 PolarHBondContact O-N 2.99Å; V165-L219 HydrophobicContact CG2-CD1 3.69Å; V165-L219 HydrophobicContact CG2-CD2 3.86Å; V165-L219 HydrophobicContact CG2-CG 4.45Å
166	G	97.1	Very high	94.6	Very high	42 Å²	42	50.8 Å²	50.8	43%	0.433	28%	0.276	S	S	.	.	H	α-helix	trans	-57.7	-42.7	177.6	0	0	0	0	0	112.8	T162 M163 G170	T162-G166 PolarHBondContact O-N 2.99Å; M163-G166 PolarHBondContact O-N 3.37Å; M163-G166 VanDerWaalsContact O-N 3.1Å; G166-G170 PolarHBondContact O-N 2.79Å
167	F	96.7	Very high	94.6	Very high	27 Å²	27	54 Å²	54	12%	0.118	29%	0.292	C	S	.	.	H	α-helix	trans	-71.2	-38.8	176.5	-81.9	-80.8	0	0	0	113	Y77 L80 Q81 F84 M163 E164 V165 Q171	Y77-F167 HydrophobicContact CD1-CD1 4.33Å; Y77-F167 HydrophobicContact CE1-CB 4.33Å; Y77-F167 AromaticContact CE1-CD1 3.66Å; Y77-F167 HydrophobicContact CE1-CD1 3.66Å; Y77-F167 HydrophobicContact CE1-CG 4.5Å; Y77-F167 HydrophobicContact CE2-CD1 4.12Å; Y77-F167 HydrophobicContact CE2-CE1 4.4Å; Y77-F167 AromaticContact CZ-CD1 3.53Å; Y77-F167 VanDerWaalsContact OH-CA 3.29Å; Y77-F167 WeakPolarHBondContact OH-CA 3.45Å; Y77-F167 PolarHBondContact OH-O 3.02Å; L80-F167 HydrophobicContact CB-CE1 4.11Å; L80-F167 HydrophobicContact CB-CZ 4.29Å; Q81-F167 HydrophobicContact CB-CB 4.24Å; Q81-F167 HydrophobicContact CB-CD1 3.58Å; Q81-F167 HydrophobicContact CB-CD2 4.22Å; Q81-F167 HydrophobicContact CB-CE1 3.97Å; Q81-F167 HydrophobicContact CB-CG 3.75Å; Q81-F167 HydrophobicContact CB-CZ 4.47Å; Q81-F167 HydrophobicContact CG-CB 3.74Å; Q81-F167 HydrophobicContact CG-CD1 4.06Å; Q81-F167 HydrophobicContact CG-CD2 4.1Å; Q81-F167 HydrophobicContact CG-CG 3.7Å; F84-F167 HydrophobicContact CB-CE2 3.62Å; F84-F167 HydrophobicContact CB-CZ 4.1Å; F84-F167 AromaticContact CD2-CE2 3.98Å; F84-F167 HydrophobicContact CD2-CE2 3.98Å; F84-F167 AromaticContact CD2-CZ 3.59Å; F84-F167 HydrophobicContact CD2-CZ 3.59Å; F84-F167 HydrophobicContact CE2-CZ 4.38Å; F84-F167 HydrophobicContact CG-CE2 4.03Å; F84-F167 HydrophobicContact CG-CZ 4.13Å; M163-F167 VanDerWaalsContact O-CD2 3.25Å; M163-F167 WeakPolarHBondContact O-CD2 3.24Å; M163-F167 PolarHBondContact O-N 2.84Å; E164-F167 PolarHBondContact O-N 3.39Å; V165-F167 VanDerWaalsContact C-N 3.32Å; V165-F167 PolarHBondContact O-N 3.32Å; F167-Q171 WeakPolarHBondContact O-CB 3.29Å; F167-Q171 PolarHBondContact O-N 3.17Å
168	I	96.1	Very high	94.7	Very high	37 Å²	37	60.3 Å²	60.3	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-47.5	174.9	-69.8	165.5	0	0	0	110.5	E164 V165 Y172 L212 A215 L219	E164-I168 HydrophobicContact CG-CD1 4.24Å; E164-I168 VanDerWaalsContact O-CG1 3.28Å; E164-I168 WeakPolarHBondContact O-CG1 3.27Å; E164-I168 PolarHBondContact O-N 2.99Å; V165-I168 PolarHBondContact O-N 3.44Å; I168-Y172 PolarHBondContact O-N 2.96Å; I168-Y172 VanDerWaalsContact O-N 3.14Å; I168-L212 HydrophobicContact CG1-CD1 4.4Å; I168-L212 HydrophobicContact CG2-CD1 3.89Å; I168-A215 HydrophobicContact CD1-CB 3.93Å; I168-A215 HydrophobicContact CG1-CB 3.88Å; I168-L219 HydrophobicContact CD1-CD2 4.22Å
169	V	96.9	Very high	94.6	Very high	65 Å²	65	57.4 Å²	57.4	39%	0.394	30%	0.304	S	S	.	.	H	α-helix	trans	-66.8	-42.3	-179.6	172.6	0	0	0	0	110.9	V165 Y172 F173	V165-V169 HydrophobicContact CG1-CG2 4.09Å; V165-V169 WeakPolarHBondContact O-CB 3.22Å; V165-V169 VanDerWaalsContact O-CG2 3.25Å; V165-V169 WeakPolarHBondContact O-CG2 3.2Å; V165-V169 PolarHBondContact O-N 2.99Å; V169-Y172 PolarHBondContact O-N 2.73Å; V169-F173 HydrophobicContact CG1-CD2 3.53Å; V169-F173 HydrophobicContact CG1-CE2 3.43Å; V169-F173 VanDerWaalsContact CG1-CE2 3.43Å; V169-F173 VanDerWaalsContact O-CD2 3.22Å; V169-F173 WeakPolarHBondContact O-CD2 3.03Å; V169-F173 PolarHBondContact O-N 2.82Å
170	G	96	Very high	94.5	Very high	19 Å²	19	58.3 Å²	58.3	20%	0.196	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-46.5	177	0	0	0	0	0	112.9	Y77 G166 Y172 F173 I174	Y77-G170 WeakPolarHBondContact OH-CA 3.19Å; G166-G170 PolarHBondContact O-N 2.79Å; G170-Y172 VanDerWaalsContact C-N 3.3Å; G170-Y172 PolarHBondContact O-N 2.71Å; G170-F173 PolarHBondContact O-N 3.42Å; G170-I174 VanDerWaalsContact O-CG1 3.27Å; G170-I174 WeakPolarHBondContact O-CG1 3.41Å; G170-I174 PolarHBondContact O-N 2.94Å
171	Q	95.5	Very high	94.5	Very high	17 Å²	17	62 Å²	62	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-57	-45.2	174.6	175.9	65.3	29.5	0	0	111.3	H74 Y77 F167 F173 I174 Y175 G176	H74-Q171 PolarHBondContact CD2-NE2 3.39Å; H74-Q171 PolarHBondContact NE2-NE2 2.87Å; H74-Q171 VanDerWaalsContact NE2-NE2 3.11Å; Y77-Q171 HydrophobicContact CE1-CB 3.82Å; Y77-Q171 PolarHBondContact OH-N 3.46Å; Y77-Q171 VanDerWaalsContact OH-N 3.12Å; F167-Q171 WeakPolarHBondContact O-CB 3.29Å; F167-Q171 PolarHBondContact O-N 3.17Å; Q171-F173 PolarHBondContact O-N 2.7Å; Q171-I174 PolarHBondContact O-N 3Å; Q171-Y175 VanDerWaalsContact CD-CD2 3.41Å; Q171-Y175 PolarHBondContact O-N 2.96Å; Q171-Y175 VanDerWaalsContact OE1-CD2 3.29Å; Q171-G176 PolarHBondContact O-N 3.27Å
172	Y	95.4	Very high	94.5	Very high	139 Å²	139	64.3 Å²	64.3	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-62.1	-42	179	178.2	-98.7	0	0	0	112.4	I168 V169 G170 G176 I177	I168-Y172 PolarHBondContact O-N 2.96Å; I168-Y172 VanDerWaalsContact O-N 3.14Å; V169-Y172 PolarHBondContact O-N 2.73Å; G170-Y172 VanDerWaalsContact C-N 3.3Å; G170-Y172 PolarHBondContact O-N 2.71Å; Y172-G176 WeakPolarHBondContact O-CA 3.43Å; Y172-G176 PolarHBondContact O-N 3.02Å; Y172-I177 HydrophobicContact CD2-CD1 4.33Å; Y172-I177 HydrophobicContact CD2-CG1 3.78Å; Y172-I177 HydrophobicContact CE2-CD1 3.97Å; Y172-I177 HydrophobicContact CE2-CG1 3.81Å
173	F	95.5	Very high	94.3	Very high	163 Å²	163	61.9 Å²	61.9	72%	0.715	33%	0.33	S	S	*	.	H	α-helix	trans	-73.8	-32.6	179.1	-81.5	-66	0	0	0	113.8	V169 G170 Q171	V169-F173 HydrophobicContact CG1-CD2 3.53Å; V169-F173 HydrophobicContact CG1-CE2 3.43Å; V169-F173 VanDerWaalsContact CG1-CE2 3.43Å; V169-F173 VanDerWaalsContact O-CD2 3.22Å; V169-F173 WeakPolarHBondContact O-CD2 3.03Å; V169-F173 PolarHBondContact O-N 2.82Å; G170-F173 PolarHBondContact O-N 3.42Å; Q171-F173 PolarHBondContact O-N 2.7Å
174	I	93.5	Very high	94.3	Very high	83 Å²	83	62 Å²	62	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-81.1	-46.1	-177.5	-63.3	167.8	0	0	0	111.3	P71 Y77 G170 Q171	P71-I174 HydrophobicContact CG-CG2 4.25Å; Y77-I174 HydrophobicContact CE2-CD1 4.34Å; G170-I174 VanDerWaalsContact O-CG1 3.27Å; G170-I174 WeakPolarHBondContact O-CG1 3.41Å; G170-I174 PolarHBondContact O-N 2.94Å; Q171-I174 PolarHBondContact O-N 3Å
175	Y	92.9	Very high	94.4	Very high	29 Å²	29	61.9 Å²	61.9	11%	0.114	33%	0.334	C	S	.	.	H	α-helix	trans	-119	-19.9	-172.2	-51.4	-77.5	0	0	0	114.4	F70 I72 H74 Q171	F70-Y175 HydrophobicContact CD1-CE1 4.13Å; I72-Y175 VanDerWaalsContact C-OH 3.27Å; I72-Y175 WeakPolarHBondContact CG2-OH 3.31Å; I72-Y175 PolarHBondContact O-OH 3.36Å; H74-Y175 AromaticContact CE1-CD1 3.45Å; H74-Y175 VanDerWaalsContact CE1-CD1 3.45Å; H74-Y175 WeakPolarHBondContact CE1-CD1 3.18Å; H74-Y175 AromaticContact CE1-CE1 3.65Å; H74-Y175 AromaticContact CE1-CG 3.66Å; H74-Y175 AromaticContact NE2-CD1 3.7Å; H74-Y175 AromaticContact NE2-CD2 3.57Å; H74-Y175 AromaticContact NE2-CE2 3.96Å; H74-Y175 AromaticContact NE2-CG 3.38Å; Q171-Y175 VanDerWaalsContact CD-CD2 3.41Å; Q171-Y175 PolarHBondContact O-N 2.96Å; Q171-Y175 VanDerWaalsContact OE1-CD2 3.29Å
176	G	92.8	Very high	94.3	Very high	24 Å²	24	68.6 Å²	68.6	25%	0.247	35%	0.353	C	S	.	.			trans	80	-165.1	-168.1	0	0	0	0	0	113.2	Q171 Y172	Q171-G176 PolarHBondContact O-N 3.27Å; Y172-G176 WeakPolarHBondContact O-CA 3.43Å; Y172-G176 PolarHBondContact O-N 3.02Å
177	I	90.4	Very high	94.2	Very high	77 Å²	77	71.4 Å²	71.4	40%	0.395	35%	0.35	S	S	.	.	S	Bend	trans	-85.7	-33.3	-179.9	-57.6	174.6	0	0	0	111.1	Y172	Y172-I177 HydrophobicContact CD2-CD1 4.33Å; Y172-I177 HydrophobicContact CD2-CG1 3.78Å; Y172-I177 HydrophobicContact CE2-CD1 3.97Å; Y172-I177 HydrophobicContact CE2-CG1 3.81Å
178	F	92.9	Very high	94	Very high	131 Å²	131	75 Å²	75	58%	0.575	38%	0.378	S	S	*	.	S	Bend	trans	-132	131.1	-177.4	-59.4	-75.2	0	0	0	110.2	N205 V209	F178-N205 HydrophobicContact CD1-CB 4.43Å; F178-V209 HydrophobicContact CD1-CG2 4.36Å; F178-V209 HydrophobicContact CE1-CG2 3.75Å; F178-V209 HydrophobicContact CZ-CG2 4.44Å
179	L	91.8	Very high	94	Very high	24 Å²	24	76 Å²	76	13%	0.126	39%	0.388	C	S	.	.			trans	-74.2	124.7	170.6	-168.8	61.1	0	0	0	109.7	F70 V198 K204 N205 I208	F70-L179 HydrophobicContact CE1-CD1 3.62Å; F70-L179 HydrophobicContact CE1-CD2 4.01Å; F70-L179 HydrophobicContact CE1-CG 4.46Å; F70-L179 HydrophobicContact CZ-CD1 3.86Å; F70-L179 HydrophobicContact CZ-CD2 4.05Å; F70-L179 HydrophobicContact CZ-CG 4.48Å; L179-V198 HydrophobicContact CD2-CG1 3.79Å; L179-V198 HydrophobicContact CG-CG1 4.47Å; L179-K204 HydrophobicContact CD2-CB 4.26Å; L179-K204 HydrophobicContact CD2-CD 4.02Å; L179-N205 VanDerWaalsContact CB-OD1 3.28Å; L179-N205 WeakPolarHBondContact CB-OD1 3.41Å; L179-N205 PolarHBondContact N-OD1 3.17Å; L179-N205 PolarHBondContact O-ND2 3.42Å; L179-I208 HydrophobicContact CB-CD1 4.47Å
180	T	91.8	Very high	93.8	Very high	93 Å²	93	73.8 Å²	73.8	57%	0.571	37%	0.374	S	S	*	.			trans	-76.7	147.7	173.9	55.9	0	0	0	0	110.6	L182	T180-L182 VanDerWaalsContact C-N 3.29Å; T180-L182 PolarHBondContact O-N 3.42Å; T180-L182 PolarHBondContact OG1-O 2.91Å
181	T	91.5	Very high	93.6	Very high	85 Å²	85	76.5 Å²	76.5	52%	0.521	39%	0.388	S	S	.	.	S	Bend	trans	-69.2	-30.7	179.1	59	0	0	0	0	112.5	Y197 V198 P201	T181-Y197 WeakPolarHBondContact O-CA 3.06Å; T181-V198 PolarHBondContact O-N 3.39Å; T181-V198 VanDerWaalsContact O-N 3.13Å; T181-P201 HydrophobicContact CG2-CB 3.86Å; T181-P201 HydrophobicContact CG2-CG 3.34Å
182	L	93.7	Very high	93.4	Very high	65 Å²	65	82.4 Å²	82.4	34%	0.34	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.5	-178.5	-178.2	71.2	0	0	0	110.4	T180 V184 N195 C196 Y197	T180-L182 VanDerWaalsContact C-N 3.29Å; T180-L182 PolarHBondContact O-N 3.42Å; T180-L182 PolarHBondContact OG1-O 2.91Å; L182-V184 HydrophobicContact CD2-CG2 4.34Å; L182-V184 HydrophobicContact CG-CG2 4.43Å; L182-N195 HydrophobicContact CD1-CB 3.69Å; L182-C196 WeakPolarHBondContact CA-O 3.37Å; L182-Y197 HydrophobicContact CD1-CD1 4.27Å; L182-Y197 HydrophobicContact CD1-CE1 3.84Å
183	H	93	Very high	93.4	Very high	47 Å²	47	79.4 Å²	79.4	22%	0.218	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.1	170.6	-177.4	81.4	0	0	0	109.5	C196	H183-C196 HydrophobicContact CB-CB 4.5Å; H183-C196 PolarHBondContact N-O 3.4Å; H183-C196 WeakPolarHBondContact O-CB 3.24Å; H183-C196 PolarHBondContact O-N 3.18Å
184	V	95.7	Very high	93.4	Very high	73 Å²	73	72.1 Å²	72.1	44%	0.442	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	111.6	179.2	-176.7	0	0	0	0	109.4	L182 P193 V194	L182-V184 HydrophobicContact CD2-CG2 4.34Å; L182-V184 HydrophobicContact CG-CG2 4.43Å; V184-P193 HydrophobicContact CG1-CB 4Å; V184-V194 WeakPolarHBondContact CA-O 3.33Å
185	C	96.3	Very high	93.6	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.2	-173.9	177.9	0	0	0	0	112	C65 P193 V194	C65-C185 WeakPolarHBondContact CA-SG 2.86Å; C65-C185 HydrophobicContact CB-CB 3.6Å; C65-C185 WeakPolarHBondContact CB-SG 3.36Å; C65-C185 WeakPolarHBondContact SG-CB 3.14Å; C65-C185 CovalentContact SG-SG 2.03Å; C65-C185 PolarHBondContact SG-SG 3.41Å; C185-P193 WeakPolarHBondContact O-CA 3.21Å; C185-V194 HydrophobicContact CB-CG2 3.88Å; C185-V194 PolarHBondContact N-O 2.91Å; C185-V194 PolarHBondContact O-N 3.49Å
186	R	95.3	Very high	93.8	Very high	201 Å²	201	69.7 Å²	69.7	76%	0.758	37%	0.372	S	S	*	.			trans	-124.2	19.3	-179.7	-67	-177.4	177.9	173.4	-0.6	113.5	P193	R186-P193 HydrophobicContact CG-CB 3.93Å
187	R	94.1	Very high	93.9	Very high	101 Å²	101	74.3 Å²	74.3	38%	0.381	38%	0.383	S	S	.	.			trans	-84.4	144.9	-174.5	-159.4	162	-176.9	-172.8	1	111.5	V64 D67 C190	V64-R187 HydrophobicContact CB-CG 4.34Å; V64-R187 HydrophobicContact CG2-CB 4.18Å; V64-R187 HydrophobicContact CG2-CG 4.4Å; D67-R187 IonicContact OD2-CZ 3.63Å; D67-R187 IonicContact OD2-NH1 2.77Å; D67-R187 PolarHBondContact OD2-NH1 2.94Å; D67-R187 IonicContact OD2-NH2 3.64Å; R187-C190 WeakPolarHBondContact O-CB 3.09Å; R187-C190 PolarHBondContact O-N 3.25Å; R187-C190 PolarHBondContact O-SG 2.99Å
188	S	93.4	Very high	94.1	Very high	102 Å²	102	71.3 Å²	71.3	71%	0.713	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	137	167.9	53.3	0	0	0	0	109.6
189	P	94.8	Very high	94	Very high	59 Å²	59	65.6 Å²	65.6	38%	0.383	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95.6	19.9	16.1	38.2	-37.1	0	0	0	115.7	Q58	Q58-P189 WeakPolarHBondContact CG-O 3.45Å
190	C	94	Very high	94.1	Very high	17 Å²	17	69.8 Å²	69.8	12%	0.115	36%	0.359	C	S	.	.			trans	-68	130.7	-178.5	-51.5	0	0	0	0	111.4	C61 C65 R187 H192 V194	C61-C190 HydrophobicContact CB-CB 4.15Å; C61-C190 WeakPolarHBondContact CB-SG 3.36Å; C61-C190 WeakPolarHBondContact SG-CB 3.38Å; C61-C190 CovalentContact SG-SG 2.04Å; C61-C190 PolarHBondContact SG-SG 3.2Å; C65-C190 PolarHBondContact SG-SG 3.25Å; R187-C190 WeakPolarHBondContact O-CB 3.09Å; R187-C190 PolarHBondContact O-N 3.25Å; R187-C190 PolarHBondContact O-SG 2.99Å; C190-H192 PolarHBondContact O-N 3.28Å; C190-V194 HydrophobicContact CB-CG1 4.34Å; C190-V194 HydrophobicContact CB-CG2 4.38Å
191	P	91.6	Very high	94.1	Very high	76 Å²	76	66.3 Å²	66.3	49%	0.494	34%	0.338	S	S	.	.	S	Bend	trans	-70	-32.6	-173.2	25.9	-34	0	0	0	113.1
192	H	91.8	Very high	94.2	Very high	141 Å²	141	67.4 Å²	67.4	65%	0.653	34%	0.344	S	S	*	.	S	Bend	trans	-143.6	170.4	-175.6	-64.4	-40.6	0	0	0	108.9	C190 V194	C190-H192 PolarHBondContact O-N 3.28Å; H192-V194 WeakPolarHBondContact O-CG1 3.43Å; H192-V194 PolarHBondContact O-N 3.37Å
193	P	95.2	Very high	94.1	Very high	77 Å²	77	67 Å²	67	50%	0.5	34%	0.34	S	S	.	.			trans	-55.3	112.7	166.5	21.7	-33.4	0	0	0	110.4	V184 C185 R186	V184-P193 HydrophobicContact CG1-CB 4Å; C185-P193 WeakPolarHBondContact O-CA 3.21Å; R186-P193 HydrophobicContact CG-CB 3.93Å
194	V	96	Very high	94.2	Very high	9 Å²	9	64.8 Å²	64.8	6%	0.055	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	146.4	178.7	-62.2	0	0	0	0	110.4	V184 C185 C190 H192	V184-V194 WeakPolarHBondContact CA-O 3.33Å; C185-V194 HydrophobicContact CB-CG2 3.88Å; C185-V194 PolarHBondContact N-O 2.91Å; C185-V194 PolarHBondContact O-N 3.49Å; C190-V194 HydrophobicContact CB-CG1 4.34Å; C190-V194 HydrophobicContact CB-CG2 4.38Å; H192-V194 WeakPolarHBondContact O-CG1 3.43Å; H192-V194 PolarHBondContact O-N 3.37Å
195	N	96.6	Very high	94.1	Very high	62 Å²	62	62.7 Å²	62.7	33%	0.332	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.6	174.5	-74.7	-21.8	0	0	0	109.4	C54 D55 L182 Y197	C54-N195 WeakPolarHBondContact CA-O 3.44Å; D55-N195 PolarHBondContact N-O 2.88Å; L182-N195 HydrophobicContact CD1-CB 3.69Å; N195-Y197 HydrophobicContact CB-CE2 4.42Å
196	C	96.2	Very high	94	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.8	174.9	-57.9	0	0	0	0	110.9	F52 R53 C54 L182 H183	F52-C196 HydrophobicContact CE1-CB 3.88Å; F52-C196 HydrophobicContact CE2-CB 3.97Å; F52-C196 HydrophobicContact CZ-CB 3.4Å; R53-C196 CarbonylContact O-C 3.59Å; R53-C196 WeakPolarHBondContact O-CA 3.28Å; C54-C196 HydrophobicContact CB-CB 4.09Å; C54-C196 WeakPolarHBondContact CB-SG 3.35Å; C54-C196 WeakPolarHBondContact SG-CB 3.47Å; C54-C196 CovalentContact SG-SG 2.05Å; C54-C196 PolarHBondContact SG-SG 2.84Å; L182-C196 WeakPolarHBondContact CA-O 3.37Å; H183-C196 HydrophobicContact CB-CB 4.5Å; H183-C196 PolarHBondContact N-O 3.4Å; H183-C196 WeakPolarHBondContact O-CB 3.24Å; H183-C196 PolarHBondContact O-N 3.18Å
197	Y	95.7	Very high	93.9	Very high	121 Å²	121	59.6 Å²	59.6	48%	0.475	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.1	-176.5	-60.7	-85.5	0	0	0	110.2	R53 T181 L182 N195	R53-Y197 PolarHBondContact N-O 3.41Å; R53-Y197 PolarHBondContact O-N 3.37Å; T181-Y197 WeakPolarHBondContact O-CA 3.06Å; L182-Y197 HydrophobicContact CD1-CD1 4.27Å; L182-Y197 HydrophobicContact CD1-CE1 3.84Å; N195-Y197 HydrophobicContact CB-CE2 4.42Å
198	V	93.6	Very high	93.9	Very high	14 Å²	14	55.1 Å²	55.1	9%	0.085	30%	0.301	C	S	.	.			trans	-86.2	138.4	-179.1	-178.7	0	0	0	0	110.5	F52 F70 L179 T181 P201 K204	F52-V198 HydrophobicContact CD2-CG2 4.36Å; F52-V198 HydrophobicContact CE2-CG2 4.18Å; F70-V198 HydrophobicContact CE2-CG1 4.17Å; F70-V198 HydrophobicContact CE2-CG2 4.02Å; F70-V198 HydrophobicContact CZ-CB 4.45Å; F70-V198 HydrophobicContact CZ-CG1 3.72Å; F70-V198 HydrophobicContact CZ-CG2 3.8Å; L179-V198 HydrophobicContact CD2-CG1 3.79Å; L179-V198 HydrophobicContact CG-CG1 4.47Å; T181-V198 PolarHBondContact O-N 3.39Å; T181-V198 VanDerWaalsContact O-N 3.13Å; V198-P201 WeakPolarHBondContact O-CD 3.26Å; V198-K204 HydrophobicContact CG1-CD 4.47Å
199	S	92.6	Very high	93.9	Very high	10 Å²	10	53.2 Å²	53.2	7%	0.07	29%	0.285	C	S	.	.	S	Bend	trans	-67	133.4	174.3	76.5	0	0	0	0	111.5	D47 K204	D47-S199 PolarHBondContact OD1-OG 3.01Å; S199-K204 WeakPolarHBondContact O-CD 3.43Å; S199-K204 VanDerWaalsContact O-CE 3.29Å; S199-K204 WeakPolarHBondContact O-CE 3.48Å; S199-K204 PolarHBondContact O-NZ 2.88Å; S199-K204 PolarHBondContact OG-NZ 3.22Å
200	R	92.1	Very high	93.8	Very high	113 Å²	113	54.3 Å²	54.3	43%	0.426	28%	0.283	S	S	.	.	S	Bend	trans	43.7	56.6	172.9	-46.9	-172	-162.8	-176.5	9.5	114.9	S43 D47 T202 E203 K204	S43-R200 PolarHBondContact O-NH1 3.28Å; D47-R200 IonicContact OD2-CZ 3.43Å; D47-R200 IonicContact OD2-NE 3.36Å; D47-R200 PolarHBondContact OD2-NE 2.92Å; D47-R200 IonicContact OD2-NH2 2.86Å; D47-R200 PolarHBondContact OD2-NH2 3.39Å; R200-T202 VanDerWaalsContact C-N 3.29Å; R200-T202 PolarHBondContact O-N 3.38Å; R200-E203 HydrophobicContact CB-CB 4.05Å; R200-E203 WeakPolarHBondContact CD-OE2 3.38Å; R200-E203 IonicContact NH1-OE2 3.45Å; R200-E203 PolarHBondContact NH1-OE2 2.91Å; R200-E203 PolarHBondContact O-N 2.96Å; R200-K204 WeakPolarHBondContact O-CG 3.35Å; R200-K204 PolarHBondContact O-N 3.49Å
201	P	93.2	Very high	93.7	Very high	20 Å²	20	53.8 Å²	53.8	13%	0.13	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-32.6	-172.9	26.3	-33.1	0	0	0	112.6	T181 V198 N205	T181-P201 HydrophobicContact CG2-CB 3.86Å; T181-P201 HydrophobicContact CG2-CG 3.34Å; V198-P201 WeakPolarHBondContact O-CD 3.26Å; P201-N205 VanDerWaalsContact O-CB 3.3Å; P201-N205 WeakPolarHBondContact O-CB 3.14Å; P201-N205 PolarHBondContact O-N 3.35Å; P201-N205 PolarHBondContact O-ND2 2.94Å
202	T	93.2	Very high	93.8	Very high	108 Å²	108	53.1 Å²	53.1	66%	0.663	27%	0.271	S	S	*	.	H	α-helix	trans	-68	-45.5	176.7	48.9	0	0	0	0	112.1	R200 N205 V206	R200-T202 VanDerWaalsContact C-N 3.29Å; R200-T202 PolarHBondContact O-N 3.38Å; T202-N205 PolarHBondContact O-N 3.38Å; T202-V206 WeakPolarHBondContact O-CG2 3.28Å; T202-V206 PolarHBondContact O-N 2.87Å; T202-V206 VanDerWaalsContact O-N 3.08Å
203	E	92.7	Very high	93.9	Very high	55 Å²	55	49.2 Å²	49.2	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-47.9	176.3	-171.4	-177.8	163.4	0	0	110.7	S43 S44 R200 N205 V206 F207	S43-E203 WeakPolarHBondContact CB-OE1 3.41Å; S43-E203 PolarHBondContact OG-OE1 3.18Å; S44-E203 WeakPolarHBondContact CB-OE1 3.28Å; R200-E203 HydrophobicContact CB-CB 4.05Å; R200-E203 WeakPolarHBondContact CD-OE2 3.38Å; R200-E203 IonicContact NH1-OE2 3.45Å; R200-E203 PolarHBondContact NH1-OE2 2.91Å; R200-E203 PolarHBondContact O-N 2.96Å; E203-N205 VanDerWaalsContact C-N 3.31Å; E203-N205 PolarHBondContact O-N 3.13Å; E203-V206 WeakPolarHBondContact O-CB 3.39Å; E203-V206 PolarHBondContact O-N 3.3Å; E203-V206 VanDerWaalsContact O-N 3.15Å; E203-F207 HydrophobicContact CG-CD2 4.15Å; E203-F207 HydrophobicContact CG-CE2 3.77Å; E203-F207 VanDerWaalsContact O-CD2 3.25Å; E203-F207 WeakPolarHBondContact O-CD2 3.26Å; E203-F207 PolarHBondContact O-N 2.92Å
204	K	94	Very high	93.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-41.7	175.5	-70.9	178.2	178.8	159	0	112.1	S44 W45 L179 V198 S199 R200 V206 F207 I208	S44-K204 WeakPolarHBondContact O-CE 3.25Å; W45-K204 HydrophobicContact CD2-CG 4.36Å; W45-K204 HydrophobicContact CE3-CG 4.42Å; W45-K204 HydrophobicContact CH2-CB 3.75Å; W45-K204 HydrophobicContact CH2-CG 3.77Å; W45-K204 HydrophobicContact CZ2-CB 3.83Å; W45-K204 HydrophobicContact CZ2-CD 4.09Å; W45-K204 HydrophobicContact CZ2-CG 3.69Å; W45-K204 HydrophobicContact CZ3-CB 4.46Å; W45-K204 HydrophobicContact CZ3-CG 4.14Å; L179-K204 HydrophobicContact CD2-CB 4.26Å; L179-K204 HydrophobicContact CD2-CD 4.02Å; V198-K204 HydrophobicContact CG1-CD 4.47Å; S199-K204 WeakPolarHBondContact O-CD 3.43Å; S199-K204 VanDerWaalsContact O-CE 3.29Å; S199-K204 WeakPolarHBondContact O-CE 3.48Å; S199-K204 PolarHBondContact O-NZ 2.88Å; S199-K204 PolarHBondContact OG-NZ 3.22Å; R200-K204 WeakPolarHBondContact O-CG 3.35Å; R200-K204 PolarHBondContact O-N 3.49Å; K204-V206 PolarHBondContact O-N 2.91Å; K204-F207 PolarHBondContact O-N 3.06Å; K204-I208 WeakPolarHBondContact O-CD1 3.29Å; K204-I208 VanDerWaalsContact O-CG1 3.23Å; K204-I208 WeakPolarHBondContact O-CG1 3.48Å; K204-I208 PolarHBondContact O-N 3.42Å
205	N	93.8	Very high	93.5	Very high	28 Å²	28	45.6 Å²	45.6	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-38.4	176.8	-79.8	-23.5	0	0	0	113	F178 L179 P201 T202 E203 I208 V209	F178-N205 HydrophobicContact CD1-CB 4.43Å; L179-N205 VanDerWaalsContact CB-OD1 3.28Å; L179-N205 WeakPolarHBondContact CB-OD1 3.41Å; L179-N205 PolarHBondContact N-OD1 3.17Å; L179-N205 PolarHBondContact O-ND2 3.42Å; P201-N205 VanDerWaalsContact O-CB 3.3Å; P201-N205 WeakPolarHBondContact O-CB 3.14Å; P201-N205 PolarHBondContact O-N 3.35Å; P201-N205 PolarHBondContact O-ND2 2.94Å; T202-N205 PolarHBondContact O-N 3.38Å; E203-N205 VanDerWaalsContact C-N 3.31Å; E203-N205 PolarHBondContact O-N 3.13Å; N205-I208 PolarHBondContact O-N 2.91Å; N205-V209 WeakPolarHBondContact O-CB 3.32Å; N205-V209 VanDerWaalsContact O-CG2 3.31Å; N205-V209 WeakPolarHBondContact O-CG2 3.38Å; N205-V209 PolarHBondContact O-N 3.48Å
206	V	93.4	Very high	93.4	Very high	101 Å²	101	44.5 Å²	44.5	61%	0.612	24%	0.24	S	C	*	.	H	α-helix	trans	-60.6	-47.7	175	172.5	0	0	0	0	110.3	T202 E203 K204 V209 F210	T202-V206 WeakPolarHBondContact O-CG2 3.28Å; T202-V206 PolarHBondContact O-N 2.87Å; T202-V206 VanDerWaalsContact O-N 3.08Å; E203-V206 WeakPolarHBondContact O-CB 3.39Å; E203-V206 PolarHBondContact O-N 3.3Å; E203-V206 VanDerWaalsContact O-N 3.15Å; K204-V206 PolarHBondContact O-N 2.91Å; V206-V209 PolarHBondContact O-N 3.45Å; V206-F210 VanDerWaalsContact O-CB 3.24Å; V206-F210 WeakPolarHBondContact O-CB 3.37Å; V206-F210 PolarHBondContact O-N 2.95Å
207	F	93.6	Very high	93.2	Very high	36 Å²	36	48.1 Å²	48.1	16%	0.158	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-40.1	177.2	-73.2	-67.8	0	0	0	113	V36 A40 S44 W45 W78 E203 K204 F210 M211	V36-F207 HydrophobicContact CG1-CD1 3.9Å; V36-F207 HydrophobicContact CG1-CE1 4.37Å; A40-F207 HydrophobicContact CB-CD1 3.73Å; A40-F207 HydrophobicContact CB-CD2 4.21Å; A40-F207 HydrophobicContact CB-CE1 3.84Å; A40-F207 HydrophobicContact CB-CE2 4.32Å; A40-F207 HydrophobicContact CB-CG 3.92Å; A40-F207 HydrophobicContact CB-CZ 4.14Å; S44-F207 WeakPolarHBondContact OG-CD2 3.45Å; S44-F207 WeakPolarHBondContact OG-CE2 3.39Å; W45-F207 HydrophobicContact CH2-CB 3.96Å; W45-F207 HydrophobicContact CZ3-CB 3.76Å; W45-F207 AromaticContact CZ3-CD2 3.97Å; W45-F207 HydrophobicContact CZ3-CD2 3.97Å; W45-F207 HydrophobicContact CZ3-CG 4.11Å; W78-F207 HydrophobicContact CH2-CB 3.99Å; W78-F207 HydrophobicContact CZ3-CB 4.47Å; E203-F207 HydrophobicContact CG-CD2 4.15Å; E203-F207 HydrophobicContact CG-CE2 3.77Å; E203-F207 VanDerWaalsContact O-CD2 3.25Å; E203-F207 WeakPolarHBondContact O-CD2 3.26Å; E203-F207 PolarHBondContact O-N 2.92Å; K204-F207 PolarHBondContact O-N 3.06Å; F207-F210 PolarHBondContact O-N 2.93Å; F207-M211 WeakPolarHBondContact O-CB 3.25Å; F207-M211 VanDerWaalsContact O-CG 3.31Å; F207-M211 WeakPolarHBondContact O-CG 3.25Å; F207-M211 PolarHBondContact O-N 3.26Å
208	I	93.6	Very high	92.9	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.036	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-50.2	177.1	-69.2	162.3	0	0	0	111.2	W45 H74 W78 L179 K204 N205 F210 M211 L212	W45-I208 HydrophobicContact CH2-CG1 4.32Å; W45-I208 HydrophobicContact CZ2-CG1 4.48Å; H74-I208 WeakPolarHBondContact NE2-CD1 3.45Å; W78-I208 HydrophobicContact CH2-CG1 4.26Å; W78-I208 HydrophobicContact CZ2-CB 4.49Å; W78-I208 HydrophobicContact CZ2-CG1 3.92Å; L179-I208 HydrophobicContact CB-CD1 4.47Å; K204-I208 WeakPolarHBondContact O-CD1 3.29Å; K204-I208 VanDerWaalsContact O-CG1 3.23Å; K204-I208 WeakPolarHBondContact O-CG1 3.48Å; K204-I208 PolarHBondContact O-N 3.42Å; N205-I208 PolarHBondContact O-N 2.91Å; I208-F210 VanDerWaalsContact C-N 3.29Å; I208-F210 PolarHBondContact O-N 3.42Å; I208-M211 PolarHBondContact O-N 2.92Å; I208-L212 WeakPolarHBondContact O-CB 3.1Å; I208-L212 PolarHBondContact O-N 2.69Å
209	V	93.6	Very high	92.8	Very high	62 Å²	62	43.6 Å²	43.6	38%	0.376	24%	0.243	S	C	.	.	H	α-helix	trans	-62.2	-40.7	179.1	171.3	0	0	0	0	110.8	F178 N205 V206 L212 A213	F178-V209 HydrophobicContact CD1-CG2 4.36Å; F178-V209 HydrophobicContact CE1-CG2 3.75Å; F178-V209 HydrophobicContact CZ-CG2 4.44Å; N205-V209 WeakPolarHBondContact O-CB 3.32Å; N205-V209 VanDerWaalsContact O-CG2 3.31Å; N205-V209 WeakPolarHBondContact O-CG2 3.38Å; N205-V209 PolarHBondContact O-N 3.48Å; V206-V209 PolarHBondContact O-N 3.45Å; V209-L212 PolarHBondContact O-N 3.25Å; V209-A213 WeakPolarHBondContact O-CB 3.31Å; V209-A213 PolarHBondContact O-N 3.02Å
210	F	92.8	Very high	92.8	Very high	81 Å²	81	48.5 Å²	48.5	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-49.3	177.8	-171.3	-86.5	0	0	0	112.3	F32 V36 V206 F207 I208 L212 A213 V214	F32-F210 AromaticContact CD1-CE1 3.77Å; F32-F210 HydrophobicContact CD1-CE1 3.77Å; F32-F210 HydrophobicContact CD1-CZ 4.15Å; F32-F210 HydrophobicContact CE1-CD1 4.17Å; F32-F210 AromaticContact CE1-CE1 3.06Å; F32-F210 HydrophobicContact CE1-CE1 3.06Å; F32-F210 HydrophobicContact CE1-CE2 4.07Å; F32-F210 AromaticContact CE1-CZ 3.1Å; F32-F210 HydrophobicContact CE1-CZ 3.1Å; F32-F210 HydrophobicContact CE2-CE1 4.3Å; F32-F210 AromaticContact CE2-CZ 3.79Å; F32-F210 HydrophobicContact CE2-CZ 3.79Å; F32-F210 AromaticContact CZ-CE1 3.44Å; F32-F210 HydrophobicContact CZ-CE1 3.44Å; F32-F210 VanDerWaalsContact CZ-CE1 3.44Å; F32-F210 AromaticContact CZ-CE2 3.81Å; F32-F210 HydrophobicContact CZ-CE2 3.81Å; F32-F210 AromaticContact CZ-CZ 2.92Å; F32-F210 HydrophobicContact CZ-CZ 2.92Å; V36-F210 HydrophobicContact CB-CE1 4.43Å; V36-F210 HydrophobicContact CG1-CD1 4.24Å; V36-F210 HydrophobicContact CG1-CE1 4.44Å; V36-F210 HydrophobicContact CG2-CD1 3.79Å; V36-F210 HydrophobicContact CG2-CE1 3.2Å; V36-F210 HydrophobicContact CG2-CZ 4.04Å; V206-F210 VanDerWaalsContact O-CB 3.24Å; V206-F210 WeakPolarHBondContact O-CB 3.37Å; V206-F210 PolarHBondContact O-N 2.95Å; F207-F210 PolarHBondContact O-N 2.93Å; I208-F210 VanDerWaalsContact C-N 3.29Å; I208-F210 PolarHBondContact O-N 3.42Å; F210-L212 VanDerWaalsContact C-N 3.29Å; F210-L212 PolarHBondContact O-N 3.49Å; F210-A213 PolarHBondContact O-N 3.32Å; F210-V214 HydrophobicContact CD1-CG2 4.12Å; F210-V214 HydrophobicContact CE1-CG2 4.07Å; F210-V214 VanDerWaalsContact O-CG2 3.3Å; F210-V214 WeakPolarHBondContact O-CG2 3.3Å; F210-V214 PolarHBondContact O-N 3.29Å
211	M	92.5	Very high	92.7	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-38	177.4	-71.9	-62.7	-75	0	0	111.5	R33 V36 W78 F207 I208 V214 A215	R33-M211 HydrophobicContact CB-CE 4.43Å; R33-M211 HydrophobicContact CG-CE 4.28Å; V36-M211 HydrophobicContact CB-SD 3.91Å; V36-M211 HydrophobicContact CG1-CG 4.06Å; V36-M211 HydrophobicContact CG1-SD 3.62Å; V36-M211 HydrophobicContact CG2-SD 4.44Å; W78-M211 HydrophobicContact CB-CE 4.01Å; W78-M211 HydrophobicContact CD2-CB 4.44Å; W78-M211 HydrophobicContact CD2-CE 4Å; W78-M211 HydrophobicContact CD2-CG 3.98Å; W78-M211 HydrophobicContact CE3-CE 4.35Å; W78-M211 HydrophobicContact CE3-CG 4.1Å; W78-M211 HydrophobicContact CG-CE 3.83Å; W78-M211 HydrophobicContact CH2-CG 4.03Å; W78-M211 HydrophobicContact CZ2-CB 4.01Å; W78-M211 HydrophobicContact CZ2-CG 3.91Å; W78-M211 HydrophobicContact CZ3-CG 4.12Å; F207-M211 WeakPolarHBondContact O-CB 3.25Å; F207-M211 VanDerWaalsContact O-CG 3.31Å; F207-M211 WeakPolarHBondContact O-CG 3.25Å; F207-M211 PolarHBondContact O-N 3.26Å; I208-M211 PolarHBondContact O-N 2.92Å; M211-V214 PolarHBondContact O-N 3.49Å; M211-A215 WeakPolarHBondContact O-CB 3.49Å; M211-A215 PolarHBondContact O-N 3.33Å
212	L	93.5	Very high	92.5	Very high	62 Å²	62	44.6 Å²	44.6	33%	0.325	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-42.9	173.4	179.9	62.4	0	0	0	112.2	I168 I208 V209 F210 V214 A215 A216	I168-L212 HydrophobicContact CG1-CD1 4.4Å; I168-L212 HydrophobicContact CG2-CD1 3.89Å; I208-L212 WeakPolarHBondContact O-CB 3.1Å; I208-L212 PolarHBondContact O-N 2.69Å; V209-L212 PolarHBondContact O-N 3.25Å; F210-L212 VanDerWaalsContact C-N 3.29Å; F210-L212 PolarHBondContact O-N 3.49Å; L212-V214 PolarHBondContact O-N 3.03Å; L212-A215 WeakPolarHBondContact O-CB 3.29Å; L212-A215 PolarHBondContact O-N 2.92Å; L212-A216 WeakPolarHBondContact O-CB 3.28Å; L212-A216 PolarHBondContact O-N 3.2Å
213	A	93.2	Very high	92.4	Very high	59 Å²	59	43.2 Å²	43.2	49%	0.488	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-41.6	177.3	0	0	0	0	0	111.8	V209 F210 A216 L217	V209-A213 WeakPolarHBondContact O-CB 3.31Å; V209-A213 PolarHBondContact O-N 3.02Å; F210-A213 PolarHBondContact O-N 3.32Å; A213-A216 PolarHBondContact O-N 3.33Å; A213-L217 WeakPolarHBondContact O-CB 3.49Å; A213-L217 PolarHBondContact O-N 3.08Å
214	V	91.9	Very high	92.2	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-39	175.5	176.3	0	0	0	0	111.3	L29 F32 R33 F210 M211 L212 S218	L29-V214 HydrophobicContact CD2-CG1 4.04Å; F32-V214 HydrophobicContact CD1-CG1 4.18Å; F32-V214 HydrophobicContact CD1-CG2 3.46Å; F32-V214 VanDerWaalsContact CD1-CG2 3.46Å; F32-V214 HydrophobicContact CE1-CG2 3.38Å; R33-V214 HydrophobicContact CG-CG1 3.81Å; F210-V214 HydrophobicContact CD1-CG2 4.12Å; F210-V214 HydrophobicContact CE1-CG2 4.07Å; F210-V214 VanDerWaalsContact O-CG2 3.3Å; F210-V214 WeakPolarHBondContact O-CG2 3.3Å; F210-V214 PolarHBondContact O-N 3.29Å; M211-V214 PolarHBondContact O-N 3.49Å; L212-V214 PolarHBondContact O-N 3.03Å; V214-S218 WeakPolarHBondContact O-CB 3.34Å; V214-S218 PolarHBondContact O-N 2.87Å
215	A	92.5	Very high	91.9	Very high	2 Å²	2	45 Å²	45	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-49.1	172.9	0	0	0	0	0	111.6	E164 I168 M211 L212 L217 S218 L219	E164-A215 WeakPolarHBondContact OE1-CA 3.48Å; E164-A215 VanDerWaalsContact OE1-CB 3.26Å; E164-A215 WeakPolarHBondContact OE1-CB 3.23Å; I168-A215 HydrophobicContact CD1-CB 3.93Å; I168-A215 HydrophobicContact CG1-CB 3.88Å; M211-A215 WeakPolarHBondContact O-CB 3.49Å; M211-A215 PolarHBondContact O-N 3.33Å; L212-A215 WeakPolarHBondContact O-CB 3.29Å; L212-A215 PolarHBondContact O-N 2.92Å; A215-L217 PolarHBondContact O-N 3.03Å; A215-S218 PolarHBondContact O-N 2.9Å; A215-S218 PolarHBondContact O-OG 3.46Å; A215-L219 WeakPolarHBondContact O-CB 3.37Å; A215-L219 PolarHBondContact O-N 3.44Å
216	A	93	Very high	91.6	Very high	40 Å²	40	45.7 Å²	45.7	33%	0.331	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-44	176.7	0	0	0	0	0	112.5	L212 A213 S218 L219 L220	L212-A216 WeakPolarHBondContact O-CB 3.28Å; L212-A216 PolarHBondContact O-N 3.2Å; A213-A216 PolarHBondContact O-N 3.33Å; A216-S218 VanDerWaalsContact C-N 3.35Å; A216-S218 PolarHBondContact O-N 3.08Å; A216-L219 WeakPolarHBondContact O-CB 3.29Å; A216-L219 PolarHBondContact O-N 2.72Å; A216-L220 VanDerWaalsContact O-CG 3.31Å; A216-L220 WeakPolarHBondContact O-CG 3.36Å; A216-L220 PolarHBondContact O-N 3.46Å
217	L	92.1	Very high	91.4	Very high	76 Å²	76	48.1 Å²	48.1	40%	0.398	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-43.2	175.8	179.3	59	0	0	0	111.7	L29 A213 A215 L219 L220 L221	L29-L217 HydrophobicContact CD2-CD2 4Å; L29-L217 HydrophobicContact CD2-CG 4.35Å; A213-L217 WeakPolarHBondContact O-CB 3.49Å; A213-L217 PolarHBondContact O-N 3.08Å; A215-L217 PolarHBondContact O-N 3.03Å; L217-L219 VanDerWaalsContact C-N 3.31Å; L217-L219 PolarHBondContact O-N 3.15Å; L217-L220 PolarHBondContact O-N 3.36Å; L217-L221 HydrophobicContact CD1-CD1 4.04Å; L217-L221 HydrophobicContact CD1-CG 4.29Å; L217-L221 HydrophobicContact CG-CD1 3.98Å; L217-L221 WeakPolarHBondContact O-CB 3.25Å; L217-L221 WeakPolarHBondContact O-CD1 3.41Å; L217-L221 VanDerWaalsContact O-CG 3.31Å; L217-L221 WeakPolarHBondContact O-CG 3.48Å; L217-L221 PolarHBondContact O-N 3.21Å
218	S	90.1	Very high	91	Very high	7 Å²	7	52.3 Å²	52.3	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-36.6	176.8	79.6	0	0	0	0	113.1	R33 E164 V214 A215 A216 S222	R33-S218 VanDerWaalsContact NH2-CB 3.34Å; R33-S218 PolarHBondContact NH2-OG 2.87Å; E164-S218 PolarHBondContact OE1-OG 3.31Å; V214-S218 WeakPolarHBondContact O-CB 3.34Å; V214-S218 PolarHBondContact O-N 2.87Å; A215-S218 PolarHBondContact O-N 2.9Å; A215-S218 PolarHBondContact O-OG 3.46Å; A216-S218 VanDerWaalsContact C-N 3.35Å; A216-S218 PolarHBondContact O-N 3.08Å; S218-S222 WeakPolarHBondContact O-CB 3.48Å; S218-S222 PolarHBondContact O-N 2.77Å; S218-S222 PolarHBondContact O-OG 2.91Å
219	L	92.4	Very high	90.6	Very high	32 Å²	32	53.9 Å²	53.9	17%	0.168	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-48.2	176.9	179.5	63.5	0	0	0	110	T161 E164 V165 I168 A215 A216 L217 L221 S222 L223	T161-L219 HydrophobicContact CG2-CD1 3.62Å; E164-L219 HydrophobicContact CG-CB 4.36Å; V165-L219 HydrophobicContact CG2-CD1 3.69Å; V165-L219 HydrophobicContact CG2-CD2 3.86Å; V165-L219 HydrophobicContact CG2-CG 4.45Å; I168-L219 HydrophobicContact CD1-CD2 4.22Å; A215-L219 WeakPolarHBondContact O-CB 3.37Å; A215-L219 PolarHBondContact O-N 3.44Å; A216-L219 WeakPolarHBondContact O-CB 3.29Å; A216-L219 PolarHBondContact O-N 2.72Å; L217-L219 VanDerWaalsContact C-N 3.31Å; L217-L219 PolarHBondContact O-N 3.15Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-L221 PolarHBondContact O-N 2.9Å; L219-S222 WeakPolarHBondContact O-CB 3.29Å; L219-S222 PolarHBondContact O-N 3.39Å; L219-L223 HydrophobicContact CD1-CD1 4.49Å; L219-L223 HydrophobicContact CD1-CG 4.49Å; L219-L223 HydrophobicContact CG-CD1 4.26Å; L219-L223 WeakPolarHBondContact O-CG 3.26Å; L219-L223 PolarHBondContact O-N 3.4Å
220	L	92.1	Very high	90.2	Very high	114 Å²	114	52.3 Å²	52.3	60%	0.597	29%	0.287	S	S	*	.	H	α-helix	trans	-58.2	-44	176.6	-71.8	172.2	0	0	0	112	A216 L217 L223 A224	A216-L220 VanDerWaalsContact O-CG 3.31Å; A216-L220 WeakPolarHBondContact O-CG 3.36Å; A216-L220 PolarHBondContact O-N 3.46Å; L217-L220 PolarHBondContact O-N 3.36Å; L220-L223 PolarHBondContact O-N 3.36Å; L220-A224 VanDerWaalsContact O-CB 3.31Å; L220-A224 WeakPolarHBondContact O-CB 3.36Å; L220-A224 PolarHBondContact O-N 2.95Å
221	L	89.4	Confident	89.9	Confident	47 Å²	47	53.6 Å²	53.6	25%	0.246	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-39.5	177.2	-71	164.6	0	0	0	112	W25 L29 L217 L219 L223 A224 E225	W25-L221 HydrophobicContact CB-CD1 4.18Å; W25-L221 HydrophobicContact CD2-CD1 4.05Å; W25-L221 HydrophobicContact CD2-CD2 4.22Å; W25-L221 HydrophobicContact CE3-CD1 3.62Å; W25-L221 HydrophobicContact CE3-CD2 4.36Å; W25-L221 HydrophobicContact CG-CD1 4.3Å; W25-L221 HydrophobicContact CG-CD2 4.45Å; W25-L221 HydrophobicContact CZ3-CD1 4.33Å; L29-L221 HydrophobicContact CD1-CD1 3.76Å; L217-L221 HydrophobicContact CD1-CD1 4.04Å; L217-L221 HydrophobicContact CD1-CG 4.29Å; L217-L221 HydrophobicContact CG-CD1 3.98Å; L217-L221 WeakPolarHBondContact O-CB 3.25Å; L217-L221 WeakPolarHBondContact O-CD1 3.41Å; L217-L221 VanDerWaalsContact O-CG 3.31Å; L217-L221 WeakPolarHBondContact O-CG 3.48Å; L217-L221 PolarHBondContact O-N 3.21Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-L221 PolarHBondContact O-N 2.9Å; L221-L223 VanDerWaalsContact C-N 3.35Å; L221-L223 PolarHBondContact O-N 3.27Å; L221-A224 PolarHBondContact O-N 2.97Å; L221-E225 WeakPolarHBondContact O-CB 2.91Å; L221-E225 PolarHBondContact O-N 2.99Å
222	S	88.5	Confident	89.4	Confident	4 Å²	4	57.7 Å²	57.7	3%	0.028	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-40.7	174.7	-61.7	0	0	0	0	112	R160 S218 L219 L226	R160-S222 PolarHBondContact NE-OG 3.45Å; R160-S222 VanDerWaalsContact NE-OG 3.09Å; R160-S222 PolarHBondContact NH2-OG 2.85Å; S218-S222 WeakPolarHBondContact O-CB 3.48Å; S218-S222 PolarHBondContact O-N 2.77Å; S218-S222 PolarHBondContact O-OG 2.91Å; L219-S222 WeakPolarHBondContact O-CB 3.29Å; L219-S222 PolarHBondContact O-N 3.39Å; S222-L226 WeakPolarHBondContact O-CB 3.43Å; S222-L226 PolarHBondContact O-N 3.28Å
223	L	91.1	Very high	88.9	Confident	79 Å²	79	60.3 Å²	60.3	41%	0.414	32%	0.316	S	S	.	.	H	α-helix	trans	-69.9	-41.2	175.9	-68.7	175.3	0	0	0	112.1	T161 L219 L220 L221 E225 L226 Y227	T161-L223 HydrophobicContact CG2-CD2 4.03Å; L219-L223 HydrophobicContact CD1-CD1 4.49Å; L219-L223 HydrophobicContact CD1-CG 4.49Å; L219-L223 HydrophobicContact CG-CD1 4.26Å; L219-L223 WeakPolarHBondContact O-CG 3.26Å; L219-L223 PolarHBondContact O-N 3.4Å; L220-L223 PolarHBondContact O-N 3.36Å; L221-L223 VanDerWaalsContact C-N 3.35Å; L221-L223 PolarHBondContact O-N 3.27Å; L223-E225 VanDerWaalsContact C-N 3.31Å; L223-E225 PolarHBondContact O-N 2.89Å; L223-L226 PolarHBondContact O-N 3.33Å; L223-Y227 VanDerWaalsContact O-CB 3.22Å; L223-Y227 WeakPolarHBondContact O-CB 3.48Å; L223-Y227 PolarHBondContact O-N 3.26Å
224	A	89.6	Confident	88.4	Confident	56 Å²	56	61.3 Å²	61.3	46%	0.463	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-40.2	175.9	0	0	0	0	0	111.4	L220 L221 Y227 H228	L220-A224 VanDerWaalsContact O-CB 3.31Å; L220-A224 WeakPolarHBondContact O-CB 3.36Å; L220-A224 PolarHBondContact O-N 2.95Å; L221-A224 PolarHBondContact O-N 2.97Å; A224-Y227 PolarHBondContact O-N 3.1Å; A224-H228 VanDerWaalsContact O-CB 3.29Å; A224-H228 WeakPolarHBondContact O-CB 3.45Å; A224-H228 PolarHBondContact O-N 3.28Å
225	E	86.1	Confident	88.1	Confident	37 Å²	37	68 Å²	68	17%	0.173	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-47.9	174.2	177.6	164.3	-141.1	0	0	112	Y153 I157 R160 L221 L223 Y227 H228 L229	Y153-E225 PolarHBondContact OH-OE1 3.36Å; Y153-E225 PolarHBondContact OH-OE2 2.92Å; I157-E225 HydrophobicContact CD1-CG 3.9Å; R160-E225 IonicContact NH2-OE2 3.55Å; L221-E225 WeakPolarHBondContact O-CB 2.91Å; L221-E225 PolarHBondContact O-N 2.99Å; L223-E225 VanDerWaalsContact C-N 3.31Å; L223-E225 PolarHBondContact O-N 2.89Å; E225-Y227 VanDerWaalsContact C-N 3.32Å; E225-Y227 PolarHBondContact O-N 2.89Å; E225-H228 PolarHBondContact O-N 3.14Å; E225-L229 HydrophobicContact CG-CD1 4.37Å; E225-L229 WeakPolarHBondContact O-CG 3.27Å; E225-L229 PolarHBondContact O-N 2.86Å
226	L	88.2	Confident	87.4	Confident	44 Å²	44	73 Å²	73	23%	0.23	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-42.8	176.3	-175	63.1	0	0	0	111.5	V154 I157 L158 S222 L223 L229 G230	V154-L226 HydrophobicContact CG1-CD1 4.13Å; I157-L226 HydrophobicContact CG2-CB 4.23Å; L158-L226 HydrophobicContact CD2-CD2 3.81Å; S222-L226 WeakPolarHBondContact O-CB 3.43Å; S222-L226 PolarHBondContact O-N 3.28Å; L223-L226 PolarHBondContact O-N 3.33Å; L226-L229 PolarHBondContact O-N 2.71Å; L226-G230 PolarHBondContact O-N 3.18Å
227	Y	89.2	Confident	86.8	Confident	152 Å²	152	79.8 Å²	79.8	60%	0.596	38%	0.377	S	S	*	.	H	α-helix	trans	-62.4	-47	176.4	177.8	-98.4	0	0	0	111.3	L223 A224 E225 L229 G230 W231	L223-Y227 VanDerWaalsContact O-CB 3.22Å; L223-Y227 WeakPolarHBondContact O-CB 3.48Å; L223-Y227 PolarHBondContact O-N 3.26Å; A224-Y227 PolarHBondContact O-N 3.1Å; E225-Y227 VanDerWaalsContact C-N 3.32Å; E225-Y227 PolarHBondContact O-N 2.89Å; Y227-L229 PolarHBondContact O-N 3.21Å; Y227-G230 PolarHBondContact O-N 2.95Å; Y227-W231 WeakPolarHBondContact O-CB 3.46Å; Y227-W231 PolarHBondContact O-N 3.4Å
228	H	85.5	Confident	86.1	Confident	124 Å²	124	83.8 Å²	83.8	57%	0.574	39%	0.392	S	S	*	.	H	α-helix	trans	-61	-43.2	178.2	177.4	-96.7	0	0	0	112.1	A224 E225 K232	A224-H228 VanDerWaalsContact O-CB 3.29Å; A224-H228 WeakPolarHBondContact O-CB 3.45Å; A224-H228 PolarHBondContact O-N 3.28Å; E225-H228 PolarHBondContact O-N 3.14Å; H228-K232 WeakPolarHBondContact O-CB 3.21Å; H228-K232 PolarHBondContact O-N 3.04Å
229	L	84.6	Confident	85.2	Confident	40 Å²	40	89 Å²	89	21%	0.209	42%	0.422	C	S	.	.	H	α-helix	trans	-66.1	-44.5	175.5	-70.6	175.8	0	0	0	112.6	Y153 I157 E225 L226 Y227 K232 K233	Y153-L229 HydrophobicContact CD1-CD1 3.82Å; Y153-L229 HydrophobicContact CE1-CD1 3.78Å; I157-L229 HydrophobicContact CD1-CD1 4.22Å; E225-L229 HydrophobicContact CG-CD1 4.37Å; E225-L229 WeakPolarHBondContact O-CG 3.27Å; E225-L229 PolarHBondContact O-N 2.86Å; L226-L229 PolarHBondContact O-N 2.71Å; Y227-L229 PolarHBondContact O-N 3.21Å; L229-K232 PolarHBondContact O-N 3.28Å; L229-K233 PolarHBondContact O-N 2.87Å
230	G	85.2	Confident	83.5	Confident	29 Å²	29	95.1 Å²	95.1	30%	0.299	45%	0.448	S	S	.	.	H	α-helix	trans	-60	-48.9	176.7	0	0	0	0	0	111.3	L226 Y227 K232 K233 I234	L226-G230 PolarHBondContact O-N 3.18Å; Y227-G230 PolarHBondContact O-N 2.95Å; G230-K232 PolarHBondContact O-N 3.29Å; G230-K233 PolarHBondContact O-N 2.85Å; G230-I234 WeakPolarHBondContact O-CB 3.48Å; G230-I234 WeakPolarHBondContact O-CD1 3.22Å; G230-I234 WeakPolarHBondContact O-CG1 3.2Å; G230-I234 PolarHBondContact O-N 3.11Å
231	W	86.8	Confident	81.5	Confident	107 Å²	107	93.7 Å²	93.7	41%	0.405	45%	0.445	S	S	.	.	H	α-helix	trans	-61.2	-41.7	178.4	-172	-105.4	0	0	0	112.6	Y227 I234 R235	Y227-W231 WeakPolarHBondContact O-CB 3.46Å; Y227-W231 PolarHBondContact O-N 3.4Å; W231-I234 PolarHBondContact O-N 3.17Å; W231-R235 WeakPolarHBondContact O-CB 3.03Å; W231-R235 WeakPolarHBondContact O-CG 3.46Å; W231-R235 PolarHBondContact O-N 3.12Å
232	K	82.9	Confident	79.5	Confident	93 Å²	93	101.8 Å²	101.8	40%	0.404	47%	0.473	S	S	.	.	H	α-helix	trans	-61.2	-44.8	174.4	-174.9	179	178.5	-177.4	0	111.8	H228 L229 G230 Q236	H228-K232 WeakPolarHBondContact O-CB 3.21Å; H228-K232 PolarHBondContact O-N 3.04Å; L229-K232 PolarHBondContact O-N 3.28Å; G230-K232 PolarHBondContact O-N 3.29Å; K232-Q236 WeakPolarHBondContact O-CB 3.41Å; K232-Q236 VanDerWaalsContact O-CG 3.25Å; K232-Q236 WeakPolarHBondContact O-CG 3.33Å; K232-Q236 PolarHBondContact O-N 3.26Å
233	K	81.6	Confident	77.5	Confident	117 Å²	117	109.5 Å²	109.5	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-66.7	-39.6	178.7	-169.1	174.1	-177.2	178.1	0	111.9	L229 G230 Q236 R237	L229-K233 PolarHBondContact O-N 2.87Å; G230-K233 PolarHBondContact O-N 2.85Å; K233-Q236 PolarHBondContact O-N 2.97Å; K233-R237 PolarHBondContact O-N 3.19Å
234	I	83.7	Confident	75.3	Confident	80 Å²	80	114.1 Å²	114.1	41%	0.41	53%	0.527	S	S	.	.	H	α-helix	trans	-64.8	-50.3	176.2	-71.3	167.3	0	0	0	110.4	G230 W231 Q236 R237 F238	G230-I234 WeakPolarHBondContact O-CB 3.48Å; G230-I234 WeakPolarHBondContact O-CD1 3.22Å; G230-I234 WeakPolarHBondContact O-CG1 3.2Å; G230-I234 PolarHBondContact O-N 3.11Å; W231-I234 PolarHBondContact O-N 3.17Å; I234-Q236 VanDerWaalsContact C-N 3.33Å; I234-Q236 PolarHBondContact O-N 3.4Å; I234-R237 WeakPolarHBondContact O-CB 3.33Å; I234-R237 PolarHBondContact O-N 3Å; I234-R237 VanDerWaalsContact O-N 3.1Å; I234-F238 HydrophobicContact CG2-CD2 3.42Å; I234-F238 VanDerWaalsContact CG2-CD2 3.42Å; I234-F238 HydrophobicContact CG2-CE2 3.3Å; I234-F238 WeakPolarHBondContact O-CD2 3.43Å; I234-F238 PolarHBondContact O-N 3.44Å
235	R	85.2	Confident	73.1	Confident	149 Å²	149	118.8 Å²	118.8	56%	0.562	54%	0.541	S	S	*	.	H	α-helix	trans	-58	-42.5	175.1	-78.5	-172.9	171.5	174.8	5.6	112.3	W231 R237 F238 V239	W231-R235 WeakPolarHBondContact O-CB 3.03Å; W231-R235 WeakPolarHBondContact O-CG 3.46Å; W231-R235 PolarHBondContact O-N 3.12Å; R235-R237 VanDerWaalsContact C-N 3.32Å; R235-R237 PolarHBondContact O-N 2.99Å; R235-F238 PolarHBondContact O-N 3.28Å; R235-V239 WeakPolarHBondContact O-CB 3.08Å; R235-V239 VanDerWaalsContact O-CG2 3.28Å; R235-V239 WeakPolarHBondContact O-CG2 3.38Å; R235-V239 PolarHBondContact O-N 2.98Å
236	Q	78.3	Confident	71.1	Confident	106 Å²	106	120.2 Å²	120.2	50%	0.495	56%	0.56	S	S	.	*	H	α-helix	trans	-62.8	-36.6	176.2	-74.7	175.6	-6	0	0	112.7	K232 K233 I234 K240	K232-Q236 WeakPolarHBondContact O-CB 3.41Å; K232-Q236 VanDerWaalsContact O-CG 3.25Å; K232-Q236 WeakPolarHBondContact O-CG 3.33Å; K232-Q236 PolarHBondContact O-N 3.26Å; K233-Q236 PolarHBondContact O-N 2.97Å; I234-Q236 VanDerWaalsContact C-N 3.33Å; I234-Q236 PolarHBondContact O-N 3.4Å; Q236-K240 VanDerWaalsContact O-CB 3.32Å; Q236-K240 WeakPolarHBondContact O-CB 3.33Å; Q236-K240 WeakPolarHBondContact O-CG 3.36Å; Q236-K240 PolarHBondContact O-N 2.85Å; Q236-K240 VanDerWaalsContact O-N 3.16Å
237	R	79.4	Confident	68.9	Low	183 Å²	183	127.6 Å²	127.6	69%	0.691	59%	0.59	S	S	*	*	H	α-helix	trans	-68.4	-38.4	173	-79.4	-172.2	178.1	-176.5	-1.3	112.6	K233 I234 R235 P241	K233-R237 PolarHBondContact O-N 3.19Å; I234-R237 WeakPolarHBondContact O-CB 3.33Å; I234-R237 PolarHBondContact O-N 3Å; I234-R237 VanDerWaalsContact O-N 3.1Å; R235-R237 VanDerWaalsContact C-N 3.32Å; R235-R237 PolarHBondContact O-N 2.99Å; R237-P241 VanDerWaalsContact O-CD 3.28Å; R237-P241 WeakPolarHBondContact O-CD 3.37Å; R237-P241 WeakPolarHBondContact O-CG 3.34Å
238	F	77.5	Confident	66.4	Low	160 Å²	160	125.8 Å²	125.8	70%	0.702	60%	0.598	S	S	*	*	H	α-helix	trans	-78.3	-22.6	179.3	-76.2	-63.8	0	0	0	114.5	I234 R235 P241	I234-F238 HydrophobicContact CG2-CD2 3.42Å; I234-F238 VanDerWaalsContact CG2-CD2 3.42Å; I234-F238 HydrophobicContact CG2-CE2 3.3Å; I234-F238 WeakPolarHBondContact O-CD2 3.43Å; I234-F238 PolarHBondContact O-N 3.44Å; R235-F238 PolarHBondContact O-N 3.28Å; F238-P241 WeakPolarHBondContact O-CD 3.47Å; F238-P241 WeakPolarHBondContact O-CG 3.5Å
239	V	71.1	Confident	64.3	Low	115 Å²	115	128.2 Å²	128.2	70%	0.697	61%	0.61	S	S	*	*	H	α-helix	trans	-86.1	-28.9	173.9	175.3	0	0	0	0	112	R235 P241	R235-V239 WeakPolarHBondContact O-CB 3.08Å; R235-V239 VanDerWaalsContact O-CG2 3.28Å; R235-V239 WeakPolarHBondContact O-CG2 3.38Å; R235-V239 PolarHBondContact O-N 2.98Å; V239-P241 WeakPolarHBondContact O-CD 3.1Å
240	K	58.5	Low	62.1	Low	162 Å²	162	133.8 Å²	133.8	70%	0.704	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	2.6	176.5	-76.2	-174	172.7	-173.5	0	119.2	Q236 R242	Q236-K240 VanDerWaalsContact O-CB 3.32Å; Q236-K240 WeakPolarHBondContact O-CB 3.33Å; Q236-K240 WeakPolarHBondContact O-CG 3.36Å; Q236-K240 PolarHBondContact O-N 2.85Å; Q236-K240 VanDerWaalsContact O-N 3.16Å; K240-R242 VanDerWaalsContact C-N 3.32Å; K240-R242 PolarHBondContact O-N 3.43Å
241	P	48.9	Very low	60	Low	83 Å²	83	138 Å²	138	54%	0.539	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-7.6	174	-12.5	29.2	0	0	0	114.8	R237 F238 V239	R237-P241 VanDerWaalsContact O-CD 3.28Å; R237-P241 WeakPolarHBondContact O-CD 3.37Å; R237-P241 WeakPolarHBondContact O-CG 3.34Å; F238-P241 WeakPolarHBondContact O-CD 3.47Å; F238-P241 WeakPolarHBondContact O-CG 3.5Å; V239-P241 WeakPolarHBondContact O-CD 3.1Å
242	R	46.8	Very low	57.8	Low	217 Å²	217	136.4 Å²	136.4	82%	0.819	68%	0.681	S	S	*	*	S	Bend	trans	-99.8	-15.7	-170.4	-111.1	178.4	170.4	158.1	-2.6	116.7	K240	K240-R242 VanDerWaalsContact C-N 3.32Å; K240-R242 PolarHBondContact O-N 3.43Å
243	Q	47.1	Very low	56.1	Low	166 Å²	166	138 Å²	138	78%	0.776	70%	0.701	S	S	*	*	H	α-helix	trans	-92.4	-18.2	-178.4	-73.2	-175.8	-17.8	0	0	114.3
244	H	45.5	Very low	54.2	Low	177 Å²	177	137.9 Å²	137.9	82%	0.819	72%	0.715	S	S	*	*	H	α-helix	trans	-81.9	-16.5	176.5	-134.9	-80.7	0	0	0	113.4
245	M	42.1	Very low	52.1	Low	153 Å²	153	141.3 Å²	141.3	75%	0.754	74%	0.739	S	S	*	*	H	α-helix	trans	-95	-25.1	171.4	-87.4	-162.8	167.9	0	0	113.9	K247 C248	M245-K247 VanDerWaalsContact C-N 3.29Å; M245-K247 PolarHBondContact O-N 3.49Å; M245-C248 PolarHBondContact O-N 3Å
246	A	45	Very low	49.8	Very low	68 Å²	68	137.2 Å²	137.2	56%	0.562	74%	0.744	S	S	*	*	H	α-helix	trans	-73.2	-18.2	179.6	0	0	0	0	0	113.8	C248	A246-C248 VanDerWaalsContact C-N 3.35Å
247	K	41.6	Very low	48.1	Very low	198 Å²	198	140.5 Å²	140.5	86%	0.861	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-3.6	175.9	-145	170.3	-174.3	177.4	0	113.7	M245	M245-K247 VanDerWaalsContact C-N 3.29Å; M245-K247 PolarHBondContact O-N 3.49Å
248	C	36.9	Very low	46	Very low	114 Å²	114	138.5 Å²	138.5	77%	0.77	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	6.2	176.3	-79.9	0	0	0	0	114.4	M245 A246	M245-C248 PolarHBondContact O-N 3Å; A246-C248 VanDerWaalsContact C-N 3.35Å
249	Q	41.2	Very low	44.3	Very low	175 Å²	175	139.4 Å²	139.4	82%	0.818	78%	0.777	S	S	*	*	S	Bend	trans	-132	16.1	-179.2	-68.7	-156.5	8.2	0	0	115.5
250	L	39.8	Very low	42.6	Very low	157 Å²	157	139.4 Å²	139.4	82%	0.822	78%	0.782	S	S	*	*	S	Bend	trans	-113.9	78.7	177.6	-157.7	74.1	0	0	0	110.9
251	S	40.5	Very low	41.6	Very low	117 Å²	117	137.8 Å²	137.8	82%	0.818	79%	0.79	S	S	*	*			trans	163.6	79.3	150.9	-74.3	0	0	0	0	109.7
252	G	40.3	Very low	41.6	Very low	75 Å²	75	140.1 Å²	140.1	77%	0.773	80%	0.802	S	S	*	*			trans	-108.4	105	158.8	0	0	0	0	0	107.4
253	P	47.2	Very low	42.2	Very low	125 Å²	125	135 Å²	135	81%	0.812	80%	0.798	S	S	*	*			trans	-79.5	129.5	177.1	25.1	-18.1	0	0	0	109.3	V255	P253-V255 PolarHBondContact O-N 2.96Å
254	S	41.3	Very low	42.5	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	80%	0.797	S	S	*	*			trans	-47.6	126	168.3	-70.1	0	0	0	0	111.5	G256	S254-G256 PolarHBondContact O-N 3.13Å
255	V	39.9	Very low	42.9	Very low	151 Å²	151	129.8 Å²	129.8	92%	0.915	79%	0.794	S	S	*	*	S	Bend	trans	5.8	110.5	142.1	-173.2	0	0	0	0	114.8	P253	P253-V255 PolarHBondContact O-N 2.96Å
256	G	37.6	Very low	43.3	Very low	64 Å²	64	127.8 Å²	127.8	66%	0.66	79%	0.786	S	S	*	*			trans	153.7	110.9	159.8	0	0	0	0	0	114.6	S254	S254-G256 PolarHBondContact O-N 3.13Å
257	I	41.7	Very low	43.7	Very low	175 Å²	175	132.9 Å²	132.9	90%	0.897	80%	0.796	S	S	*	*			trans	93.9	109	162.4	-50.6	-179.3	0	0	0	116.1
258	V	35.5	Very low	44.4	Very low	140 Å²	140	128.9 Å²	128.9	85%	0.848	78%	0.784	S	S	*	*			trans	-62.8	119.3	177.3	173.4	0	0	0	0	111.5
259	Q	41.5	Very low	45.1	Very low	179 Å²	179	131 Å²	131	84%	0.836	78%	0.783	S	S	*	*			trans	-154.9	127.5	147.2	-125.3	165.2	-5.1	0	0	110.5	C261	Q259-C261 PolarHBondContact O-N 3.15Å
260	S	36.3	Very low	45.4	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	78%	0.78	S	S	*	*			trans	-56.2	117.9	-170.4	50.9	0	0	0	0	113.7
261	C	37.1	Very low	45.9	Very low	127 Å²	127	127.5 Å²	127.5	86%	0.858	78%	0.777	S	S	*	*			trans	-104.3	115.3	161.8	-68.9	0	0	0	0	108.5	Q259	Q259-C261 PolarHBondContact O-N 3.15Å
262	T	48.2	Very low	46	Very low	132 Å²	132	129 Å²	129	81%	0.81	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-64.5	140.8	169.1	29.7	0	0	0	0	110.2
263	P	59.9	Low	45.9	Very low	111 Å²	111	132.2 Å²	132.2	72%	0.721	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-68.9	152.7	177.8	29.4	-33.2	0	0	0	110.9
264	P	53.6	Low	45.7	Very low	117 Å²	117	129.3 Å²	129.3	76%	0.76	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-64.7	146.8	177.8	28.1	-32.1	0	0	0	110.3
265	P	54.3	Low	45.5	Very low	116 Å²	116	130.9 Å²	130.9	75%	0.753	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-67.8	140.2	-174.6	28.5	-32.4	0	0	0	110.7	F267	P265-F267 PolarHBondContact O-N 3.24Å
266	D	49.1	Very low	45.7	Very low	110 Å²	110	127 Å²	127	59%	0.588	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-64.9	124.3	178.7	-164.9	-4.5	0	0	0	110.1	N268 Q269	D266-N268 PolarHBondContact O-N 3.21Å; D266-N268 PolarHBondContact OD1-ND2 2.51Å; D266-Q269 PolarHBondContact O-N 3.3Å
267	F	53.8	Low	45.6	Very low	176 Å²	176	127.5 Å²	127.5	77%	0.772	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-67.4	-4.8	-171.8	-140	-95.5	0	0	0	113.3	P265 Q269	P265-F267 PolarHBondContact O-N 3.24Å; F267-Q269 VanDerWaalsContact C-N 3.33Å
268	N	56.1	Low	45.6	Very low	114 Å²	114	127.6 Å²	127.6	61%	0.61	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-80.3	-11.4	176.4	-63.3	-45.4	0	0	0	113.3	D266	D266-N268 PolarHBondContact O-N 3.21Å; D266-N268 PolarHBondContact OD1-ND2 2.51Å
269	Q	51.9	Low	46.1	Very low	159 Å²	159	131 Å²	131	74%	0.743	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-88.8	-6.6	-177.2	-149.7	158.8	40.1	0	0	114.1	D266 F267	D266-Q269 PolarHBondContact O-N 3.3Å; F267-Q269 VanDerWaalsContact C-N 3.33Å
270	C	48.5	Very low	46.4	Very low	114 Å²	114	131 Å²	131	77%	0.77	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-91	0.3	175.8	-59.5	0	0	0	0	113.5
271	L	49.2	Very low	47.3	Very low	143 Å²	143	132.3 Å²	132.3	75%	0.749	76%	0.759	S	S	*	*	S	Bend	trans	-109	2.4	-175.3	-101.2	147.9	0	0	0	114
272	E	42.4	Very low	48.1	Very low	149 Å²	149	130.6 Å²	130.6	70%	0.696	75%	0.747	S	S	*	*	S	Bend	trans	-107.4	108.7	177.8	-80.6	-168.3	108.3	0	0	113.3
273	N	39.7	Very low	48.1	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	75%	0.749	S	S	*	*				63	75	128.8	-54.2	-30.9	0	0	0	118.5
274	G	41.9	Very low	48.2	Very low	63 Å²	63	131 Å²	131	65%	0.649	73%	0.733	S	S	*	*			trans	-100.4	137	152.9	0	0	0	0	0	111.1	G276	G274-G276 PolarHBondContact O-N 3.24Å
275	P	38.2	Very low	48.6	Very low	149 Å²	149	132.4 Å²	132.4	97%	0.968	73%	0.734	S	S	*	*	S	Bend	trans	-71.5	102.3	-177.4	29.3	-30.9	0	0	0	109.6
276	G	42.4	Very low	49.1	Very low	69 Å²	69	132.6 Å²	132.6	71%	0.711	73%	0.729	S	S	*	*	S	Bend	trans	142.7	76.5	179.9	0	0	0	0	0	111.7	G274 K278	G274-G276 PolarHBondContact O-N 3.24Å; G276-K278 PolarHBondContact O-N 3.13Å; G276-K278 VanDerWaalsContact O-N 3.11Å
277	G	35.6	Very low	50.2	Low	75 Å²	75	132.4 Å²	132.4	77%	0.773	73%	0.726	S	S	*	*			trans	-59.2	110.1	-174.4	0	0	0	0	0	114.1
278	K	43	Very low	50.9	Low	178 Å²	178	126.4 Å²	126.4	77%	0.774	71%	0.709	S	S	*	*			trans	-137.7	103	153.9	-77.9	-175	179.6	174.4	0	108.5	G276 F280	G276-K278 PolarHBondContact O-N 3.13Å; G276-K278 VanDerWaalsContact O-N 3.11Å; K278-F280 HydrophobicContact CB-CD2 4.46Å; K278-F280 HydrophobicContact CB-CE2 4.17Å; K278-F280 PolarHBondContact O-N 3.48Å
279	F	46.1	Very low	51.8	Low	210 Å²	210	124.4 Å²	124.4	92%	0.921	70%	0.703	S	S	*	*			trans	-65.1	116.6	172.2	-81.3	-94.3	0	0	0	109.7
280	F	48.1	Very low	53	Low	181 Å²	181	122.7 Å²	122.7	79%	0.794	70%	0.696	S	S	*	*			trans	-105.4	116.3	167.2	-83.4	-88.3	0	0	0	108.9	K278	K278-F280 HydrophobicContact CB-CD2 4.46Å; K278-F280 HydrophobicContact CB-CE2 4.17Å; K278-F280 PolarHBondContact O-N 3.48Å
281	N	53.1	Low	54.5	Low	142 Å²	142	123.5 Å²	123.5	76%	0.759	69%	0.688	S	S	*	*			trans	-63.8	130.2	175	-95.4	-18.7	0	0	0	110	F283	N281-F283 PolarHBondContact O-N 3.02Å
282	P	54.5	Low	55.9	Low	91 Å²	91	122.1 Å²	122.1	59%	0.591	68%	0.681	S	S	*	*	S	Bend	trans	-74.8	5.1	-170.1	11.9	-4.9	0	0	0	115	M287	P282-M287 WeakPolarHBondContact O-CE 3.03Å
283	F	49.4	Very low	57.7	Low	198 Å²	198	118.7 Å²	118.7	87%	0.868	67%	0.67	S	S	*	*			trans	-130.9	70.8	179	-65.7	-80.6	0	0	0	110	N281	N281-F283 PolarHBondContact O-N 3.02Å
284	S	62.3	Low	59.7	Low	55 Å²	55	116.1 Å²	116.1	39%	0.385	66%	0.657	S	S	.	*			trans	-93.3	127.1	167.2	175.5	0	0	0	0	109.2	N286 M287	S284-N286 PolarHBondContact O-N 2.77Å; S284-N286 WeakPolarHBondContact OG-CB 3.36Å; S284-N286 PolarHBondContact OG-N 2.85Å; S284-M287 PolarHBondContact O-N 3.14Å
285	N	61.9	Low	61.5	Low	146 Å²	146	117.9 Å²	117.9	78%	0.781	65%	0.651	S	S	*	*	H	α-helix	trans	-50	-21.4	171.2	-91.2	-31.4	0	0	0	112.8	M287 A288 S289	N285-M287 PolarHBondContact O-N 2.63Å; N285-A288 PolarHBondContact O-N 3.22Å; N285-S289 WeakPolarHBondContact O-CB 3.43Å; N285-S289 PolarHBondContact O-N 3.33Å
286	N	64.8	Low	63.6	Low	119 Å²	119	116 Å²	116	64%	0.636	63%	0.633	S	S	*	*	H	α-helix	trans	-64.6	-36.7	175.7	-69.9	-11.7	0	0	0	112.7	S284 S289 Q290	S284-N286 PolarHBondContact O-N 2.77Å; S284-N286 WeakPolarHBondContact OG-CB 3.36Å; S284-N286 PolarHBondContact OG-N 2.85Å; N286-S289 PolarHBondContact O-N 3.39Å; N286-Q290 VanDerWaalsContact O-CB 3.26Å; N286-Q290 WeakPolarHBondContact O-CB 3.17Å; N286-Q290 PolarHBondContact O-N 3.05Å
287	M	70.9	Confident	65.4	Low	107 Å²	107	116.3 Å²	116.3	53%	0.527	62%	0.621	S	S	.	*	H	α-helix	trans	-68.2	-40.9	177.5	-72.5	-164.3	-64.7	0	0	111.3	P282 S284 N285 Q290 Q291	P282-M287 WeakPolarHBondContact O-CE 3.03Å; S284-M287 PolarHBondContact O-N 3.14Å; N285-M287 PolarHBondContact O-N 2.63Å; M287-Q290 PolarHBondContact O-N 3.06Å; M287-Q291 WeakPolarHBondContact O-CB 3.49Å; M287-Q291 PolarHBondContact O-N 2.93Å
288	A	69.1	Low	67.5	Low	50 Å²	50	117 Å²	117	41%	0.413	61%	0.61	S	S	.	*	H	α-helix	trans	-65.7	-39	175.5	0	0	0	0	0	112.2	N285 N292	N285-A288 PolarHBondContact O-N 3.22Å; A288-N292 WeakPolarHBondContact O-CB 3.43Å; A288-N292 PolarHBondContact O-N 2.81Å
289	S	75.8	Confident	69.1	Low	71 Å²	71	115.5 Å²	115.5	50%	0.497	61%	0.606	S	S	.	*	H	α-helix	trans	-65.9	-39.4	174.6	-170.8	0	0	0	0	112	N285 N286 T293	N285-S289 WeakPolarHBondContact O-CB 3.43Å; N285-S289 PolarHBondContact O-N 3.33Å; N286-S289 PolarHBondContact O-N 3.39Å; S289-T293 PolarHBondContact O-N 2.87Å; S289-T293 PolarHBondContact O-OG1 3.31Å
290	Q	77.1	Confident	70.4	Confident	124 Å²	124	111.5 Å²	111.5	58%	0.579	59%	0.59	S	S	*	*	H	α-helix	trans	-68.9	-44.9	178.4	-163.5	165.5	24	0	0	110.7	N286 M287 N292 T293 D294	N286-Q290 VanDerWaalsContact O-CB 3.26Å; N286-Q290 WeakPolarHBondContact O-CB 3.17Å; N286-Q290 PolarHBondContact O-N 3.05Å; M287-Q290 PolarHBondContact O-N 3.06Å; Q290-N292 VanDerWaalsContact C-N 3.33Å; Q290-N292 PolarHBondContact O-N 3.18Å; Q290-T293 WeakPolarHBondContact O-CA 2.91Å; Q290-T293 WeakPolarHBondContact O-CB 3.47Å; Q290-T293 PolarHBondContact O-N 3.28Å; Q290-D294 PolarHBondContact O-N 2.89Å
291	Q	78.1	Confident	71.4	Confident	131 Å²	131	106.2 Å²	106.2	61%	0.612	57%	0.572	S	S	*	*	H	α-helix	trans	-60.2	-39.9	174.5	-122.4	173	-8.1	0	0	112.9	M287 T293 N295	M287-Q291 WeakPolarHBondContact O-CB 3.49Å; M287-Q291 PolarHBondContact O-N 2.93Å; Q291-T293 VanDerWaalsContact C-N 3.31Å; Q291-N295 WeakPolarHBondContact O-CB 3.5Å; Q291-N295 PolarHBondContact O-N 2.05Å; Q291-N295 PolarHBondContact O-ND2 3.48Å
292	N	78.7	Confident	71.6	Confident	114 Å²	114	108.1 Å²	108.1	61%	0.61	57%	0.569	S	S	*	*	H	α-helix	trans	-65.6	-35.1	174.1	-81.4	-13.7	0	0	0	112.3	A288 Q290 L296	A288-N292 WeakPolarHBondContact O-CB 3.43Å; A288-N292 PolarHBondContact O-N 2.81Å; Q290-N292 VanDerWaalsContact C-N 3.33Å; Q290-N292 PolarHBondContact O-N 3.18Å; N292-L296 WeakPolarHBondContact O-CB 3.48Å; N292-L296 PolarHBondContact O-N 3.49Å; N292-L296 VanDerWaalsContact O-N 3.17Å
293	T	81.7	Confident	71.5	Confident	76 Å²	76	106.5 Å²	106.5	47%	0.466	57%	0.569	S	S	.	*	H	α-helix	trans	-70.7	-43.9	177.5	-50.6	0	0	0	0	110.7	S289 Q290 Q291 L296 V297	S289-T293 PolarHBondContact O-N 2.87Å; S289-T293 PolarHBondContact O-OG1 3.31Å; Q290-T293 WeakPolarHBondContact O-CA 2.91Å; Q290-T293 WeakPolarHBondContact O-CB 3.47Å; Q290-T293 PolarHBondContact O-N 3.28Å; Q291-T293 VanDerWaalsContact C-N 3.31Å; T293-L296 WeakPolarHBondContact O-CB 3.08Å; T293-L296 PolarHBondContact O-N 3.03Å; T293-V297 WeakPolarHBondContact O-CG2 3.13Å; T293-V297 PolarHBondContact O-N 3.35Å
294	D	80.2	Confident	71.7	Confident	90 Å²	90	104.9 Å²	104.9	48%	0.481	56%	0.564	S	S	.	*	H	α-helix	trans	-65.8	-39.9	178.6	-66.4	-22	0	0	0	111.7	Q290 L296 V297 T298	Q290-D294 PolarHBondContact O-N 2.89Å; D294-L296 VanDerWaalsContact C-N 3.33Å; D294-L296 PolarHBondContact O-N 3.46Å; D294-V297 PolarHBondContact O-N 3.26Å; D294-T298 WeakPolarHBondContact O-CB 3.49Å; D294-T298 PolarHBondContact O-N 2.9Å; D294-T298 PolarHBondContact O-OG1 2.03Å
295	N	81	Confident	71.3	Confident	99 Å²	99	109.9 Å²	109.9	53%	0.529	58%	0.581	S	S	.	*	H	α-helix	trans	-62.1	-40	173.4	-79.8	-18.3	0	0	0	111.9	Q291 T298 E299	Q291-N295 WeakPolarHBondContact O-CB 3.5Å; Q291-N295 PolarHBondContact O-N 2.05Å; Q291-N295 PolarHBondContact O-ND2 3.48Å; N295-T298 PolarHBondContact O-N 2.92Å; N295-E299 WeakPolarHBondContact O-CG 3.14Å; N295-E299 PolarHBondContact O-N 3.42Å
296	L	81.4	Confident	70.4	Confident	110 Å²	110	110.1 Å²	110.1	58%	0.576	58%	0.578	S	S	*	*	H	α-helix	trans	-65.6	-42.3	178.2	-174.9	66.6	0	0	0	112.1	N292 T293 D294 T298 E299 Q300	N292-L296 WeakPolarHBondContact O-CB 3.48Å; N292-L296 PolarHBondContact O-N 3.49Å; N292-L296 VanDerWaalsContact O-N 3.17Å; T293-L296 WeakPolarHBondContact O-CB 3.08Å; T293-L296 PolarHBondContact O-N 3.03Å; D294-L296 VanDerWaalsContact C-N 3.33Å; D294-L296 PolarHBondContact O-N 3.46Å; L296-T298 VanDerWaalsContact C-N 3.32Å; L296-E299 PolarHBondContact O-N 3.11Å; L296-Q300 PolarHBondContact O-N 3.49Å
297	V	79.7	Confident	69.2	Low	76 Å²	76	110.7 Å²	110.7	46%	0.461	59%	0.586	S	S	.	*	H	α-helix	trans	-63.9	-40.6	175.3	174.3	0	0	0	0	110.5	T293 D294 E299 Q300 V301	T293-V297 WeakPolarHBondContact O-CG2 3.13Å; T293-V297 PolarHBondContact O-N 3.35Å; D294-V297 PolarHBondContact O-N 3.26Å; V297-E299 PolarHBondContact O-N 2.77Å; V297-Q300 PolarHBondContact O-N 3.38Å; V297-V301 HydrophobicContact CG1-CG2 4.38Å; V297-V301 WeakPolarHBondContact O-CG2 3.34Å; V297-V301 PolarHBondContact O-N 2.04Å
298	T	80.5	Confident	67.6	Low	89 Å²	89	111.6 Å²	111.6	55%	0.546	60%	0.599	S	S	.	*	H	α-helix	trans	-65.6	-39.5	179.3	-48	0	0	0	0	111.8	D294 N295 L296 R302	D294-T298 WeakPolarHBondContact O-CB 3.49Å; D294-T298 PolarHBondContact O-N 2.9Å; D294-T298 PolarHBondContact O-OG1 2.03Å; N295-T298 PolarHBondContact O-N 2.92Å; L296-T298 VanDerWaalsContact C-N 3.32Å; T298-R302 VanDerWaalsContact O-CB 3.32Å; T298-R302 WeakPolarHBondContact O-CB 3.38Å; T298-R302 PolarHBondContact O-N 2.9Å
299	E	75.9	Confident	66.1	Low	147 Å²	147	112.6 Å²	112.6	69%	0.687	62%	0.615	S	S	*	*	H	α-helix	trans	-67	-36.4	173.7	-69.3	-122.7	134.7	0	0	112.4	N295 L296 V297 G303	N295-E299 WeakPolarHBondContact O-CG 3.14Å; N295-E299 PolarHBondContact O-N 3.42Å; L296-E299 PolarHBondContact O-N 3.11Å; V297-E299 PolarHBondContact O-N 2.77Å; E299-G303 PolarHBondContact O-N 2.93Å
300	Q	74.7	Confident	64.3	Low	125 Å²	125	118.8 Å²	118.8	58%	0.584	64%	0.636	S	S	*	*	H	α-helix	trans	-66.8	-43.2	175.4	-81.6	-175.2	-42	0	0	112.7	L296 V297 G303 Q304	L296-Q300 PolarHBondContact O-N 3.49Å; V297-Q300 PolarHBondContact O-N 3.38Å; Q300-G303 PolarHBondContact O-N 3.27Å; Q300-Q304 WeakPolarHBondContact O-CB 3.35Å; Q300-Q304 PolarHBondContact O-N 3.03Å; Q300-Q304 VanDerWaalsContact O-N 3.09Å
301	V	68.7	Low	62.3	Low	70 Å²	70	116.6 Å²	116.6	42%	0.424	65%	0.646	S	S	.	*	H	α-helix	trans	-65.8	-41.3	177	175.9	0	0	0	0	110.4	V297 G303 Q304 E305	V297-V301 HydrophobicContact CG1-CG2 4.38Å; V297-V301 WeakPolarHBondContact O-CG2 3.34Å; V297-V301 PolarHBondContact O-N 2.04Å; V301-G303 VanDerWaalsContact C-N 3.28Å; V301-G303 PolarHBondContact O-N 3.18Å; V301-Q304 PolarHBondContact O-N 2.99Å; V301-E305 PolarHBondContact O-N 3.31Å
302	R	58.1	Low	60.4	Low	182 Å²	182	119.6 Å²	119.6	69%	0.687	66%	0.658	S	S	*	*	H	α-helix	trans	-65.5	-31	176.3	-154.1	178.4	-159.5	-164.8	4.6	112.9	T298 Q304	T298-R302 VanDerWaalsContact O-CB 3.32Å; T298-R302 WeakPolarHBondContact O-CB 3.38Å; T298-R302 PolarHBondContact O-N 2.9Å; R302-Q304 VanDerWaalsContact C-N 3.33Å
303	G	51.9	Low	58.6	Low	58 Å²	58	120.5 Å²	120.5	60%	0.598	66%	0.661	S	S	*	*	H	α-helix	trans	-75.6	-16.6	171.7	0	0	0	0	0	114.5	E299 Q300 V301	E299-G303 PolarHBondContact O-N 2.93Å; Q300-G303 PolarHBondContact O-N 3.27Å; V301-G303 VanDerWaalsContact C-N 3.28Å; V301-G303 PolarHBondContact O-N 3.18Å
304	Q	53.2	Low	56.5	Low	163 Å²	163	124.5 Å²	124.5	76%	0.762	68%	0.675	S	S	*	*	H	α-helix	trans	-101.5	-19.8	-176.9	-158.8	167.2	1.7	0	0	113.3	Q300 V301 R302	Q300-Q304 WeakPolarHBondContact O-CB 3.35Å; Q300-Q304 PolarHBondContact O-N 3.03Å; Q300-Q304 VanDerWaalsContact O-N 3.09Å; V301-Q304 PolarHBondContact O-N 2.99Å; R302-Q304 VanDerWaalsContact C-N 3.33Å
305	E	53.8	Low	54.6	Low	160 Å²	160	125.6 Å²	125.6	75%	0.748	68%	0.684	S	S	*	*	S	Bend	trans	-90.9	0.6	173.5	-79.2	-177.8	119.1	0	0	114.6	V301	V301-E305 PolarHBondContact O-N 3.31Å
306	Q	43.2	Very low	52.6	Low	151 Å²	151	130.7 Å²	130.7	71%	0.706	70%	0.696	S	S	*	*			trans	-100.9	84.7	174.3	-86.1	176.6	0.9	0	0	112.3
307	T	38.7	Very low	50.6	Low	131 Å²	131	135.8 Å²	135.8	80%	0.804	71%	0.709	S	S	*	*			trans	-166.5	143.4	150.2	13.2	0	0	0	0	108.6
308	P	38.4	Very low	48.7	Very low	126 Å²	126	136.1 Å²	136.1	82%	0.818	73%	0.728	S	S	*	*	S	Bend	cis	-130.6	140.9	11.9	36.1	-17.7	0	0	0	114.7
309	G	37.3	Very low	46.7	Very low	72 Å²	72	141 Å²	141	74%	0.742	74%	0.744	S	S	*	*			trans	161.7	105	167.1	0	0	0	0	0	114.2
310	E	37.1	Very low	45.1	Very low	201 Å²	201	143.3 Å²	143.3	94%	0.939	75%	0.752	S	S	*	*			trans	68	94.4	155.5	-59.6	-173.3	142.3	0	0	119.3
311	G	36.1	Very low	43.5	Very low	77 Å²	77	142.9 Å²	142.9	79%	0.794	76%	0.76	S	S	*	*				75.3	99.9	126.7	0	0	0	0	0	119.5
312	F	37.4	Very low	42.6	Very low	195 Å²	195	148.8 Å²	148.8	86%	0.855	78%	0.783	S	S	*	*				-176	127.5	111.4	-132	-121.4	0	0	0	112.5
313	I	42.4	Very low	42.3	Very low	133 Å²	133	146.4 Å²	146.4	68%	0.682	79%	0.789	S	S	*	*			trans	53.3	92.8	163.1	-52.5	176.1	0	0	0	117.4	V315	I313-V315 HydrophobicContact CG2-CG2 4.02Å
314	Q	36.6	Very low	41.8	Very low	160 Å²	160	148.8 Å²	148.8	75%	0.748	79%	0.793	S	S	*	*			trans	-108	107.4	159.9	-161.3	178.5	48.3	0	0	108.8
315	V	41.4	Very low	41.2	Very low	113 Å²	113	149.3 Å²	149.3	69%	0.685	80%	0.801	S	S	*	*			trans	-86.2	110	169.4	-179.5	0	0	0	0	107.4	I313 Y317	I313-V315 HydrophobicContact CG2-CG2 4.02Å; V315-Y317 HydrophobicContact CG1-CD2 4.32Å; V315-Y317 HydrophobicContact CG1-CE2 4.02Å
316	R	37.4	Very low	40.6	Very low	206 Å²	206	145 Å²	145	78%	0.777	80%	0.8	S	S	*	*			trans	-117.6	111	178.8	-146.5	-178.6	-139.2	-179.9	6.1	109	G318	R316-G318 PolarHBondContact O-N 3.46Å
317	Y	40.5	Very low	40.4	Very low	217 Å²	217	145.1 Å²	145.1	85%	0.851	81%	0.811	S	S	*	*			trans	-76.1	117	167.1	-78.8	-86.6	0	0	0	108.5	V315	V315-Y317 HydrophobicContact CG1-CD2 4.32Å; V315-Y317 HydrophobicContact CG1-CE2 4.02Å
318	G	39.1	Very low	40.7	Very low	82 Å²	82	143.9 Å²	143.9	85%	0.845	81%	0.808	S	S	*	*			trans	-82.9	129.9	-178.2	0	0	0	0	0	112.3	R316	R316-G318 PolarHBondContact O-N 3.46Å
319	Q	38.6	Very low	40.8	Very low	191 Å²	191	143.7 Å²	143.7	89%	0.893	81%	0.807	S	S	*	*			trans	-117.5	119.2	158.9	-166.6	160.7	-7.1	0	0	107.9
320	K	42.1	Very low	40.9	Very low	197 Å²	197	143.7 Å²	143.7	86%	0.857	81%	0.806	S	S	*	*			trans	-75.9	137	-172.7	-139.2	-180	-173.9	-175.7	0	110.5
321	P	42	Very low	41.2	Very low	116 Å²	116	142.5 Å²	142.5	75%	0.753	80%	0.8	S	S	*	*			trans	-108.9	130.9	156.7	7.9	12.6	0	0	0	110.8
322	E	49.1	Very low	41.4	Very low	193 Å²	193	149.9 Å²	149.9	90%	0.902	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-75	147.4	174.7	-74.4	-178.7	135.5	0	0	112.5
323	V	52.3	Low	41.4	Very low	133 Å²	133	148.3 Å²	148.3	81%	0.806	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-92	141.8	-179	179	0	0	0	0	109.8
324	P	41.8	Very low	41.5	Very low	107 Å²	107	146.7 Å²	146.7	70%	0.695	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-95.6	148.2	177.1	36.1	-29.9	0	0	0	112
325	N	40.7	Very low	41.7	Very low	174 Å²	174	148.3 Å²	148.3	93%	0.93	81%	0.809	S	S	*	*			trans	-171.7	132	149.4	-94.2	-24.5	0	0	0	110.9
326	G	40.7	Very low	41.8	Very low	70 Å²	70	145.9 Å²	145.9	72%	0.722	81%	0.807	S	S	*	*			trans	129.8	89.4	153	0	0	0	0	0	118.1
327	V	39.1	Very low	41.8	Very low	153 Å²	153	147.4 Å²	147.4	93%	0.927	81%	0.814	S	S	*	*			trans	66.5	118.3	135.6	-172.7	0	0	0	0	120.2
328	S	43.8	Very low	41.7	Very low	106 Å²	106	145.5 Å²	145.5	74%	0.741	81%	0.813	S	S	*	*			trans	-73.1	-176.7	170.1	-125.2	0	0	0	0	113.3
329	P	42	Very low	41.8	Very low	122 Å²	122	145.6 Å²	145.6	79%	0.792	80%	0.801	S	S	*	*			cis	-132.9	163.5	-46.4	29.9	-10.9	0	0	0	112
330	G	38.7	Very low	41.9	Very low	71 Å²	71	143.4 Å²	143.4	73%	0.732	80%	0.795	S	S	*	*			trans	-175.1	94.6	172.6	0	0	0	0	0	116.8
331	H	42.5	Very low	42	Very low	177 Å²	177	142.8 Å²	142.8	82%	0.819	79%	0.793	S	S	*	*			trans	68.5	121.3	142.6	-80	-43.1	0	0	0	123.3
332	R	40.4	Very low	41.9	Very low	231 Å²	231	149.4 Å²	149.4	87%	0.872	80%	0.802	S	S	*	*			trans	93.1	94.2	138.5	-68	178.1	-168.9	-146.5	5	119.9
333	L	38.1	Very low	41.5	Very low	163 Å²	163	151 Å²	151	85%	0.853	80%	0.8	S	S	*	*			trans	-67.3	-175.3	141	-89.9	154.9	0	0	0	111.3
334	P	43.9	Very low	41	Very low	99 Å²	99	153.1 Å²	153.1	64%	0.643	81%	0.806	S	S	*	*			cis	-138.9	177.9	-24.2	28.6	-6.4	0	0	0	113.9
335	H	42.4	Very low	40.7	Very low	193 Å²	193	153.1 Å²	153.1	89%	0.894	81%	0.809	S	S	*	*			trans	161.7	138.5	145.2	-93.6	-68.9	0	0	0	108
336	G	41.7	Very low	40.7	Very low	62 Å²	62	154.7 Å²	154.7	64%	0.639	81%	0.807	S	S	*	*			cis	-163.7	139.4	0.6	0	0	0	0	0	106.4
337	Y	39.1	Very low	40.6	Very low	239 Å²	239	156 Å²	156	94%	0.937	81%	0.811	S	S	*	*				101.7	135.2	87.4	-116.4	-88.2	0	0	0	113.3
338	H	37.9	Very low	40.5	Very low	176 Å²	176	153.6 Å²	153.6	82%	0.815	80%	0.801	S	S	*	*			trans	-104.2	171.2	-158.7	-146.1	-89.3	0	0	0	111.1
339	S	41.8	Very low	40.3	Very low	85 Å²	85	153.4 Å²	153.4	59%	0.594	80%	0.8	S	S	*	*			trans	91.9	121	159.4	-135.5	0	0	0	0	117.2
340	D	40.3	Very low	40.3	Very low	145 Å²	145	157.8 Å²	157.8	78%	0.775	81%	0.806	S	S	*	*				-172.8	156.7	81.8	-109	-26.5	0	0	0	116.9
341	K	42.8	Very low	40.4	Very low	184 Å²	184	159 Å²	159	80%	0.8	81%	0.81	S	S	*	*			trans	-63.9	151.6	-175	-67.3	149.7	173.7	166.7	0	115.4
342	R	41.2	Very low	40.4	Very low	255 Å²	255	162.3 Å²	162.3	96%	0.962	82%	0.815	S	S	*	*				-154	124	129.6	-130.6	175.7	-93.1	-171.5	-4.7	113.7
343	R	40.7	Very low	40.5	Very low	227 Å²	227	155.5 Å²	155.5	86%	0.857	80%	0.803	S	S	*	*			trans	-60.3	154.1	171.4	-80.7	171	164.5	-160.6	-1.7	112.2
344	L	42	Very low	40.8	Very low	176 Å²	176	155 Å²	155	92%	0.921	80%	0.801	S	S	*	*				-173.2	123.1	116.1	-97.8	147	0	0	0	111.9
345	S	35.1	Very low	40.9	Very low	108 Å²	108	158.1 Å²	158.1	76%	0.755	81%	0.812	S	S	*	*			trans	-127.3	126.6	168.7	38.6	0	0	0	0	108.2
346	K	39.7	Very low	41.3	Very low	206 Å²	206	156.5 Å²	156.5	90%	0.896	81%	0.809	S	S	*	*			trans	163.1	142	136.9	-111.9	170.8	169	170.8	0	113.9
347	A	38.6	Very low	41.6	Very low	97 Å²	97	158.3 Å²	158.3	80%	0.802	81%	0.812	S	S	*	*			trans	70.4	151.8	145.9	0	0	0	0	0	116.8
348	S	39	Very low	41.8	Very low	103 Å²	103	157.5 Å²	157.5	72%	0.72	83%	0.832	S	S	*	*			cis	-175.7	147.3	-6.7	178.5	0	0	0	0	106
349	S	38.3	Very low	42	Very low	102 Å²	102	156.6 Å²	156.6	71%	0.713	83%	0.832	S	S	*	*			trans	4.3	126.9	159.1	49.3	0	0	0	0	121.9
350	K	42.1	Very low	42	Very low	215 Å²	215	160.3 Å²	160.3	94%	0.935	85%	0.845	S	S	*	*				-178.1	141.3	125.3	-121.4	167.6	176.2	166	0	113.5
351	A	41	Very low	42.1	Very low	97 Å²	97	161.2 Å²	161.2	80%	0.802	85%	0.849	S	S	*	*			trans	-85.9	141.4	164.5	0	0	0	0	0	110.9
352	R	41.9	Very low	42.1	Very low	245 Å²	245	159.8 Å²	159.8	93%	0.925	85%	0.852	S	S	*	*				176.7	163.3	125.6	-133.4	177.9	168.4	88.6	-1.3	111.3
353	S	42.2	Very low	42.2	Very low	89 Å²	89	153.9 Å²	153.9	62%	0.622	85%	0.845	S	S	*	*			trans	-70.5	172.1	-163.3	-42.2	0	0	0	0	118.6
354	D	46.2	Very low	42.3	Very low	151 Å²	151	149 Å²	149	81%	0.807	84%	0.844	S	S	*	*			trans	97.6	108.7	148.9	-55.8	-29.2	0	0	0	117
355	D	45.2	Very low	42.3	Very low	166 Å²	166	147.1 Å²	147.1	89%	0.888	84%	0.838	S	S	*	*			trans	-164.8	151.6	139	-105.4	-27.9	0	0	0	111.4
356	L	51.1	Low	42.8	Very low	158 Å²	158	150.1 Å²	150.1	83%	0.827	85%	0.845	S	S	*	*			trans	103.2	81.8	173.8	-54	176.6	0	0	0	115
357	S	48.2	Very low	43.1	Very low	101 Å²	101	145.4 Å²	145.4	71%	0.706	84%	0.841	S	S	*	*				83.1	93.5	74.1	72	0	0	0	0	114.5
358	V	43.3	Very low	43.5	Very low	221 Å²	221	149.8 Å²	149.8	100%	1.339	84%	0.844	S	S	*	*				177	0	112.2	161.2	0	0	0	0	107.7

Retrieved 358 of 358 residues in 288.7 ms (Link to these results)

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