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Gap junction alpha-5 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.

AlphaFold DB , UniProt , Accession P36382, 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 771.5 ms (Link to these results)

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