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Adhesion G protein-coupled receptor B1

AlphaFold DB , UniProt , Accession A0A087WQZ5, Species MOUSE (Mus musculus, Mouse), Gene Adgrb1, Length 112 aa.

						>A0A087WQZ5_MOUSE|A0A087WQZ5|Adgrb1
MDKVTVPSVTLIVGCGVSSLTLLMLVIIYVSVWRYIRSERSVILINFCLSIISSNALILIGQTQTRNKVVCTLVAAFLHFFFLSSFCWVLTEAWQSYMAVTGRLRSRLVRKR
					

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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	40.7	Very low	59.1	Low	228 Å²	228	122.9 Å²	122.9	100%	1.123	69%	0.685	S	S	*	*				0	75.7	0	-86	170.6	85.2	0	0	107.4	K3	M1-K3 PolarHBondContact O-N 3.41Å
2	D	40.7	Very low	60.7	Low	143 Å²	143	120.7 Å²	120.7	77%	0.765	67%	0.669	S	S	*	*			trans	-81.7	106.5	-162	-57.8	-93.1	0	0	0	109.2
3	K	48	Very low	62.4	Low	201 Å²	201	117.9 Å²	117.9	87%	0.874	66%	0.657	S	S	*	*			trans	-126.6	27.9	170.3	-71	-164.9	177	171.3	0	111.9	M1	M1-K3 PolarHBondContact O-N 3.41Å
4	V	53.6	Low	63.8	Low	108 Å²	108	111.9 Å²	111.9	66%	0.655	64%	0.635	S	S	*	*	S	Bend	trans	-119.5	-5.1	-173.2	-170.6	0	0	0	0	113.2
5	T	53.2	Low	64.7	Low	117 Å²	117	105.9 Å²	105.9	72%	0.718	60%	0.602	S	S	*	*	S	Bend	trans	-116.8	14.5	-166.5	-19.2	0	0	0	0	115.5
6	V	59.1	Low	65.8	Low	121 Å²	121	101.3 Å²	101.3	73%	0.733	59%	0.586	S	S	*	*	S	Bend	trans	-123.1	102.7	166.5	-70.8	0	0	0	0	109.1	S8	V6-S8 PolarHBondContact O-N 2.75Å
7	P	59.5	Low	66.9	Low	60 Å²	60	100.2 Å²	100.2	39%	0.39	58%	0.581	S	S	.	*			trans	-53.4	121.7	166.8	22.2	-32.9	0	0	0	107.6	V9 I12	P7-V9 PolarHBondContact O-N 2.97Å; P7-I12 HydrophobicContact CB-CD1 3.96Å; P7-I12 HydrophobicContact CB-CG1 4.15Å; P7-I12 HydrophobicContact CG-CD1 3.7Å; P7-I12 HydrophobicContact CG-CG1 4.37Å
8	S	68.1	Low	67.7	Low	72 Å²	72	97.4 Å²	97.4	50%	0.503	57%	0.568	S	S	.	*			trans	-54.2	129.2	179.3	-67.3	0	0	0	0	108.3	V6 T10 L11 I12	V6-S8 PolarHBondContact O-N 2.75Å; S8-T10 PolarHBondContact O-N 2.86Å; S8-L11 WeakPolarHBondContact O-CA 3.4Å; S8-L11 WeakPolarHBondContact O-CB 3.4Å; S8-L11 PolarHBondContact O-N 2.83Å; S8-I12 PolarHBondContact O-N 3.36Å
9	V	75.8	Confident	68.3	Low	112 Å²	112	94.8 Å²	94.8	68%	0.679	56%	0.556	S	S	*	*	H	α-helix	trans	-49.1	-35.9	-176.3	-178.8	0	0	0	0	111.3	P7 L11 I12 V13	P7-V9 PolarHBondContact O-N 2.97Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 3.46Å; V9-I12 PolarHBondContact O-N 3.2Å; V9-V13 HydrophobicContact CG1-CG2 4.06Å; V9-V13 WeakPolarHBondContact O-CB 3.47Å; V9-V13 VanDerWaalsContact O-CG2 3.27Å; V9-V13 WeakPolarHBondContact O-CG2 3.45Å; V9-V13 PolarHBondContact O-N 2.8Å
10	T	76.9	Confident	69.1	Low	115 Å²	115	95.7 Å²	95.7	71%	0.706	56%	0.557	S	S	*	*	H	α-helix	trans	-57.1	-36.9	173.9	-44.7	0	0	0	0	114.2	S8 G14	S8-T10 PolarHBondContact O-N 2.86Å; T10-G14 WeakPolarHBondContact O-CA 3.26Å; T10-G14 PolarHBondContact O-N 2.97Å
11	L	74.5	Confident	69.6	Low	75 Å²	75	95 Å²	95	39%	0.393	56%	0.555	S	S	.	*	H	α-helix	trans	-72.7	-39.5	177	-72.7	171.9	0	0	0	112.1	S8 V9 C15 I58	S8-L11 WeakPolarHBondContact O-CA 3.4Å; S8-L11 WeakPolarHBondContact O-CB 3.4Å; S8-L11 PolarHBondContact O-N 2.83Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 3.46Å; L11-C15 VanDerWaalsContact O-CB 3.28Å; L11-C15 WeakPolarHBondContact O-CB 3.42Å; L11-C15 PolarHBondContact O-N 3.45Å; L11-C15 PolarHBondContact O-SG 3.03Å; L11-C15 VanDerWaalsContact O-SG 3.33Å; L11-I58 HydrophobicContact CD2-CG2 4.3Å
12	I	78.2	Confident	71.3	Confident	96 Å²	96	84.9 Å²	84.9	49%	0.492	51%	0.505	S	S	.	.	H	α-helix	trans	-66.1	-49.5	176.5	-68.9	166.9	0	0	0	109.8	P7 S8 V9 G14 C15 G16	P7-I12 HydrophobicContact CB-CD1 3.96Å; P7-I12 HydrophobicContact CB-CG1 4.15Å; P7-I12 HydrophobicContact CG-CD1 3.7Å; P7-I12 HydrophobicContact CG-CG1 4.37Å; S8-I12 PolarHBondContact O-N 3.36Å; V9-I12 PolarHBondContact O-N 3.2Å; I12-G14 VanDerWaalsContact C-N 3.35Å; I12-C15 PolarHBondContact O-N 3.5Å; I12-G16 PolarHBondContact O-N 3.06Å
13	V	83.3	Confident	73.2	Confident	85 Å²	85	83.4 Å²	83.4	52%	0.515	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-44.4	177.9	175.9	0	0	0	0	110.2	V9 G16 V17	V9-V13 HydrophobicContact CG1-CG2 4.06Å; V9-V13 WeakPolarHBondContact O-CB 3.47Å; V9-V13 VanDerWaalsContact O-CG2 3.27Å; V9-V13 WeakPolarHBondContact O-CG2 3.45Å; V9-V13 PolarHBondContact O-N 2.8Å; V13-G16 PolarHBondContact O-N 3.11Å; V13-V17 HydrophobicContact CG1-CG2 4.26Å; V13-V17 WeakPolarHBondContact O-CB 3.48Å; V13-V17 VanDerWaalsContact O-CG2 3.26Å; V13-V17 WeakPolarHBondContact O-CG2 3.48Å; V13-V17 PolarHBondContact O-N 3.23Å
14	G	81.8	Confident	74.7	Confident	33 Å²	33	80 Å²	80	34%	0.34	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-49.5	176.9	0	0	0	0	0	113	T10 I12 G16 V17 S18	T10-G14 WeakPolarHBondContact O-CA 3.26Å; T10-G14 PolarHBondContact O-N 2.97Å; I12-G14 VanDerWaalsContact C-N 3.35Å; G14-G16 VanDerWaalsContact C-N 3.33Å; G14-G16 PolarHBondContact O-N 3.05Å; G14-V17 PolarHBondContact O-N 3.49Å; G14-S18 WeakPolarHBondContact O-CB 3.31Å; G14-S18 PolarHBondContact O-N 3.36Å; G14-S18 PolarHBondContact O-OG 3.41Å
15	C	77.8	Confident	75.8	Confident	22 Å²	22	77.7 Å²	77.7	15%	0.149	47%	0.469	C	S	.	.	H	α-helix	trans	-62.7	-40.2	176.6	-76.5	0	0	0	0	111.9	L11 I12 S19 N55	L11-C15 VanDerWaalsContact O-CB 3.28Å; L11-C15 WeakPolarHBondContact O-CB 3.42Å; L11-C15 PolarHBondContact O-N 3.45Å; L11-C15 PolarHBondContact O-SG 3.03Å; L11-C15 VanDerWaalsContact O-SG 3.33Å; I12-C15 PolarHBondContact O-N 3.5Å; C15-S19 VanDerWaalsContact O-CB 3.24Å; C15-S19 WeakPolarHBondContact O-CB 3.47Å; C15-S19 PolarHBondContact O-N 3.41Å; C15-S19 PolarHBondContact O-OG 2.95Å; C15-N55 HydrophobicContact CB-CB 4.48Å; C15-N55 PolarHBondContact O-ND2 3.31Å
16	G	81.3	Confident	76.8	Confident	33 Å²	33	74.6 Å²	74.6	34%	0.34	45%	0.45	S	S	.	.	H	α-helix	trans	-63.5	-50.2	177.4	0	0	0	0	0	112.1	I12 V13 G14 S19 L20	I12-G16 PolarHBondContact O-N 3.06Å; V13-G16 PolarHBondContact O-N 3.11Å; G14-G16 VanDerWaalsContact C-N 3.33Å; G14-G16 PolarHBondContact O-N 3.05Å; G16-S19 PolarHBondContact O-N 3.02Å; G16-L20 WeakPolarHBondContact O-CB 3.24Å; G16-L20 WeakPolarHBondContact O-CG 3.42Å; G16-L20 PolarHBondContact O-N 3.38Å
17	V	85.3	Confident	77.8	Confident	83 Å²	83	73.5 Å²	73.5	50%	0.503	44%	0.439	S	S	.	.	H	α-helix	trans	-61.7	-48.8	177.7	172.3	0	0	0	0	110.7	V13 G14 S19 L20 T21	V13-V17 HydrophobicContact CG1-CG2 4.26Å; V13-V17 WeakPolarHBondContact O-CB 3.48Å; V13-V17 VanDerWaalsContact O-CG2 3.26Å; V13-V17 WeakPolarHBondContact O-CG2 3.48Å; V13-V17 PolarHBondContact O-N 3.23Å; G14-V17 PolarHBondContact O-N 3.49Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.06Å; V17-L20 PolarHBondContact O-N 3Å; V17-T21 PolarHBondContact O-N 3.37Å; V17-T21 PolarHBondContact O-OG1 2.95Å
18	S	80.6	Confident	78.7	Confident	50 Å²	50	75.8 Å²	75.8	35%	0.35	45%	0.446	S	S	.	.	H	α-helix	trans	-58.2	-44.7	176.1	-68.5	0	0	0	0	111.7	G14 L20 T21 L22	G14-S18 WeakPolarHBondContact O-CB 3.31Å; G14-S18 PolarHBondContact O-N 3.36Å; G14-S18 PolarHBondContact O-OG 3.41Å; S18-L20 PolarHBondContact O-N 3.1Å; S18-T21 PolarHBondContact O-N 3.48Å; S18-L22 WeakPolarHBondContact O-CB 3.4Å; S18-L22 WeakPolarHBondContact O-CD1 3.43Å; S18-L22 WeakPolarHBondContact O-CG 3.47Å; S18-L22 PolarHBondContact O-N 2.81Å
19	S	79.4	Confident	78.8	Confident	48 Å²	48	73 Å²	73	34%	0.336	43%	0.425	S	S	.	.	H	α-helix	trans	-64.4	-40.1	179	-55.4	0	0	0	0	112	C15 G16 V17 L22 L23 N55	C15-S19 VanDerWaalsContact O-CB 3.24Å; C15-S19 WeakPolarHBondContact O-CB 3.47Å; C15-S19 PolarHBondContact O-N 3.41Å; C15-S19 PolarHBondContact O-OG 2.95Å; G16-S19 PolarHBondContact O-N 3.02Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.06Å; S19-L22 PolarHBondContact O-N 2.94Å; S19-L23 VanDerWaalsContact O-CB 3.29Å; S19-L23 WeakPolarHBondContact O-CB 3.13Å; S19-L23 PolarHBondContact O-N 2.94Å; S19-N55 PolarHBondContact OG-ND2 2.96Å
20	L	84	Confident	78.4	Confident	112 Å²	112	71.9 Å²	71.9	59%	0.586	42%	0.418	S	S	*	.	H	α-helix	trans	-64.6	-46.6	175.6	-85.3	160.1	0	0	0	112.5	G16 V17 S18 L22 L23 M24	G16-L20 WeakPolarHBondContact O-CB 3.24Å; G16-L20 WeakPolarHBondContact O-CG 3.42Å; G16-L20 PolarHBondContact O-N 3.38Å; V17-L20 PolarHBondContact O-N 3Å; S18-L20 PolarHBondContact O-N 3.1Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.23Å; L20-L23 PolarHBondContact O-N 3.38Å; L20-M24 PolarHBondContact O-N 2.92Å
21	T	80.1	Confident	78.2	Confident	82 Å²	82	70.1 Å²	70.1	50%	0.503	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-41.9	178.1	-50	0	0	0	0	110.6	V17 S18 M24 L25	V17-T21 PolarHBondContact O-N 3.37Å; V17-T21 PolarHBondContact O-OG1 2.95Å; S18-T21 PolarHBondContact O-N 3.48Å; T21-M24 PolarHBondContact O-N 3.3Å; T21-L25 WeakPolarHBondContact O-CB 3.49Å; T21-L25 PolarHBondContact O-N 3.48Å
22	L	76.3	Confident	77.7	Confident	15 Å²	15	69.8 Å²	69.8	8%	0.079	41%	0.411	C	S	.	.	H	α-helix	trans	-64.3	-41.2	175	-67.5	168.1	0	0	0	112.4	S18 S19 L20 L25 V26 C48 I51 I52	S18-L22 WeakPolarHBondContact O-CB 3.4Å; S18-L22 WeakPolarHBondContact O-CD1 3.43Å; S18-L22 WeakPolarHBondContact O-CG 3.47Å; S18-L22 PolarHBondContact O-N 2.81Å; S19-L22 PolarHBondContact O-N 2.94Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.23Å; L22-L25 VanDerWaalsContact O-CB 3.3Å; L22-L25 WeakPolarHBondContact O-CB 3.34Å; L22-L25 PolarHBondContact O-N 2.92Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.05Å; L22-V26 PolarHBondContact O-N 2.84Å; L22-C48 HydrophobicContact CD2-CB 4.15Å; L22-I51 HydrophobicContact CD1-CB 3.53Å; L22-I51 HydrophobicContact CD1-CG1 4.45Å; L22-I51 HydrophobicContact CD1-CG2 3.44Å; L22-I51 VanDerWaalsContact CD1-CG2 3.44Å; L22-I51 HydrophobicContact CD2-CB 4.32Å; L22-I51 HydrophobicContact CD2-CG1 4.4Å; L22-I51 HydrophobicContact CG-CG2 4.49Å; L22-I52 HydrophobicContact CD1-CG1 4.13Å
23	L	79.9	Confident	76.7	Confident	111 Å²	111	71.1 Å²	71.1	58%	0.581	41%	0.41	S	S	*	.	H	α-helix	trans	-65.3	-43.3	179.6	-158.8	123.6	0	0	0	110.9	S19 L20 L25 V26 I27	S19-L23 VanDerWaalsContact O-CB 3.29Å; S19-L23 WeakPolarHBondContact O-CB 3.13Å; S19-L23 PolarHBondContact O-N 2.94Å; L20-L23 PolarHBondContact O-N 3.38Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 2.91Å; L23-V26 PolarHBondContact O-N 3.22Å; L23-I27 HydrophobicContact CD2-CD1 3.76Å; L23-I27 HydrophobicContact CG-CD1 4.49Å; L23-I27 WeakPolarHBondContact O-CD1 3.49Å; L23-I27 VanDerWaalsContact O-CG1 3.23Å; L23-I27 WeakPolarHBondContact O-CG1 3.28Å; L23-I27 PolarHBondContact O-N 3.33Å
24	M	80.1	Confident	75.4	Confident	130 Å²	130	78.3 Å²	78.3	64%	0.64	43%	0.428	S	S	*	.	H	α-helix	trans	-58.7	-44.6	169.8	-84.8	-156.3	-164.3	0	0	111.8	L20 T21 V26 I27 I28	L20-M24 PolarHBondContact O-N 2.92Å; T21-M24 PolarHBondContact O-N 3.3Å; M24-V26 VanDerWaalsContact C-N 3.34Å; M24-V26 PolarHBondContact O-N 3.49Å; M24-I27 PolarHBondContact O-N 2.81Å; M24-I28 WeakPolarHBondContact O-CG1 3.26Å; M24-I28 PolarHBondContact O-N 2.98Å
25	L	76.3	Confident	74	Confident	60 Å²	60	86.5 Å²	86.5	31%	0.314	45%	0.45	S	S	.	.	H	α-helix	trans	-58	-47.7	178.5	-143.3	88.7	0	0	0	110.7	T21 L22 L23 I27 Y29 L44	T21-L25 WeakPolarHBondContact O-CB 3.49Å; T21-L25 PolarHBondContact O-N 3.48Å; L22-L25 VanDerWaalsContact O-CB 3.3Å; L22-L25 WeakPolarHBondContact O-CB 3.34Å; L22-L25 PolarHBondContact O-N 2.92Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 2.91Å; L25-I27 VanDerWaalsContact C-N 3.34Å; L25-I27 PolarHBondContact O-N 3.24Å; L25-Y29 WeakPolarHBondContact O-CB 3.41Å; L25-Y29 PolarHBondContact O-N 3.35Å; L25-L44 HydrophobicContact CD2-CD1 3.47Å; L25-L44 VanDerWaalsContact CD2-CD1 3.47Å; L25-L44 HydrophobicContact CD2-CD2 3.75Å; L25-L44 HydrophobicContact CD2-CG 3.56Å; L25-L44 HydrophobicContact CG-CD1 4.46Å; L25-L44 HydrophobicContact CG-CD2 3.99Å; L25-L44 HydrophobicContact CG-CG 4.36Å
26	V	75.7	Confident	72.8	Confident	52 Å²	52	89.7 Å²	89.7	32%	0.315	47%	0.465	S	S	.	.	H	α-helix	trans	-62.4	-37.1	176.6	171.9	0	0	0	0	111.8	L22 L23 M24 Y29 V30 C48	L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.05Å; L22-V26 PolarHBondContact O-N 2.84Å; L23-V26 PolarHBondContact O-N 3.22Å; M24-V26 VanDerWaalsContact C-N 3.34Å; M24-V26 PolarHBondContact O-N 3.49Å; V26-Y29 WeakPolarHBondContact O-CB 3.42Å; V26-Y29 PolarHBondContact O-N 2.85Å; V26-V30 HydrophobicContact CG1-CG2 4.34Å; V26-V30 VanDerWaalsContact O-CG2 3.31Å; V26-V30 WeakPolarHBondContact O-CG2 3.27Å; V26-V30 PolarHBondContact O-N 3.47Å; V26-C48 HydrophobicContact CG2-CB 3.94Å
27	I	80	Confident	71.4	Confident	97 Å²	97	99.3 Å²	99.3	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-69.1	-50.4	178.3	-70.5	164.2	0	0	0	111.5	L23 M24 L25 Y29 V30 S31	L23-I27 HydrophobicContact CD2-CD1 3.76Å; L23-I27 HydrophobicContact CG-CD1 4.49Å; L23-I27 WeakPolarHBondContact O-CD1 3.49Å; L23-I27 VanDerWaalsContact O-CG1 3.23Å; L23-I27 WeakPolarHBondContact O-CG1 3.28Å; L23-I27 PolarHBondContact O-N 3.33Å; M24-I27 PolarHBondContact O-N 2.81Å; L25-I27 VanDerWaalsContact C-N 3.34Å; L25-I27 PolarHBondContact O-N 3.24Å; I27-Y29 PolarHBondContact O-N 3.47Å; I27-V30 PolarHBondContact O-N 2.88Å; I27-S31 WeakPolarHBondContact O-CB 3.46Å; I27-S31 PolarHBondContact O-N 3.36Å; I27-S31 PolarHBondContact O-OG 3.32Å
28	I	77.8	Confident	70.1	Confident	108 Å²	108	97.5 Å²	97.5	55%	0.554	48%	0.482	S	S	*	.	H	α-helix	trans	-55.8	-41.9	175.1	-67.6	166.4	0	0	0	108.8	M24 S31 V32	M24-I28 WeakPolarHBondContact O-CG1 3.26Å; M24-I28 PolarHBondContact O-N 2.98Å; I28-S31 WeakPolarHBondContact O-CB 3.44Å; I28-S31 PolarHBondContact O-N 3.12Å; I28-V32 HydrophobicContact CG2-CG2 4.38Å; I28-V32 WeakPolarHBondContact O-CB 3.49Å; I28-V32 VanDerWaalsContact O-CG2 3.25Å; I28-V32 WeakPolarHBondContact O-CG2 3.42Å; I28-V32 PolarHBondContact O-N 3.5Å
29	Y	69.1	Low	69.2	Low	14 Å²	14	97.7 Å²	97.7	6%	0.055	48%	0.478	C	S	.	.	H	α-helix	trans	-64.5	-50	-179.7	171.4	-95.2	0	0	0	114.6	L25 V26 I27 S31 V32 W33 S41 L44 I45	L25-Y29 WeakPolarHBondContact O-CB 3.41Å; L25-Y29 PolarHBondContact O-N 3.35Å; V26-Y29 WeakPolarHBondContact O-CB 3.42Å; V26-Y29 PolarHBondContact O-N 2.85Å; I27-Y29 PolarHBondContact O-N 3.47Å; Y29-S31 PolarHBondContact O-N 2.76Å; Y29-V32 CarbonylContact O-C 3.58Å; Y29-V32 PolarHBondContact O-N 3.35Å; Y29-W33 AromaticContact CE1-CE3 3.91Å; Y29-W33 HydrophobicContact CE1-CE3 3.91Å; Y29-W33 HydrophobicContact CE1-CZ3 4.47Å; Y29-W33 HydrophobicContact CE2-CE3 4.06Å; Y29-W33 AromaticContact CZ-CE3 3.33Å; Y29-W33 AromaticContact CZ-CZ3 3.76Å; Y29-W33 VanDerWaalsContact O-CB 3.31Å; Y29-W33 WeakPolarHBondContact O-CB 3.1Å; Y29-W33 PolarHBondContact O-N 3.38Å; Y29-W33 WeakPolarHBondContact OH-CZ3 3.48Å; Y29-S41 VanDerWaalsContact CE2-O 3.24Å; Y29-S41 WeakPolarHBondContact CE2-O 3.42Å; Y29-S41 WeakPolarHBondContact CE2-OG 3.26Å; Y29-S41 VanDerWaalsContact CZ-CB 3.49Å; Y29-S41 WeakPolarHBondContact OH-CA 3.34Å; Y29-S41 WeakPolarHBondContact OH-CB 3Å; Y29-S41 PolarHBondContact OH-O 3.41Å; Y29-L44 HydrophobicContact CD2-CB 4.47Å; Y29-L44 HydrophobicContact CD2-CD2 3.86Å; Y29-L44 HydrophobicContact CG-CD2 4.23Å; Y29-I45 HydrophobicContact CD1-CG1 4.01Å; Y29-I45 HydrophobicContact CE1-CD1 3.45Å; Y29-I45 VanDerWaalsContact CE1-CD1 3.45Å; Y29-I45 HydrophobicContact CE1-CG1 3.28Å; Y29-I45 WeakPolarHBondContact OH-CD1 3.31Å; Y29-I45 WeakPolarHBondContact OH-CG1 3.49Å
30	V	67.9	Low	68.6	Low	89 Å²	89	105.1 Å²	105.1	54%	0.539	50%	0.498	S	S	.	.	H	α-helix	trans	-61.3	-34.2	175.2	168.4	0	0	0	0	110.7	V26 I27	V26-V30 HydrophobicContact CG1-CG2 4.34Å; V26-V30 VanDerWaalsContact O-CG2 3.31Å; V26-V30 WeakPolarHBondContact O-CG2 3.27Å; V26-V30 PolarHBondContact O-N 3.47Å; I27-V30 PolarHBondContact O-N 2.88Å
31	S	72.3	Confident	67.6	Low	78 Å²	78	100.1 Å²	100.1	55%	0.545	47%	0.473	S	S	.	.	H	α-helix	trans	-67	-42.5	176.2	-53.2	0	0	0	0	111.7	I27 I28 Y29	I27-S31 WeakPolarHBondContact O-CB 3.46Å; I27-S31 PolarHBondContact O-N 3.36Å; I27-S31 PolarHBondContact O-OG 3.32Å; I28-S31 WeakPolarHBondContact O-CB 3.44Å; I28-S31 PolarHBondContact O-N 3.12Å; Y29-S31 PolarHBondContact O-N 2.76Å
32	V	65.1	Low	67.1	Low	67 Å²	67	98.7 Å²	98.7	41%	0.406	46%	0.464	S	S	.	.	H	α-helix	trans	-78.9	-27.2	178.7	174.8	0	0	0	0	112.4	I28 Y29 R34 Y35 I36	I28-V32 HydrophobicContact CG2-CG2 4.38Å; I28-V32 WeakPolarHBondContact O-CB 3.49Å; I28-V32 VanDerWaalsContact O-CG2 3.25Å; I28-V32 WeakPolarHBondContact O-CG2 3.42Å; I28-V32 PolarHBondContact O-N 3.5Å; Y29-V32 CarbonylContact O-C 3.58Å; Y29-V32 PolarHBondContact O-N 3.35Å; V32-R34 PolarHBondContact O-N 3Å; V32-Y35 CarbonylContact O-C 3.59Å; V32-Y35 WeakPolarHBondContact O-CA 3.49Å; V32-Y35 PolarHBondContact O-N 2.93Å; V32-I36 HydrophobicContact CG1-CG2 4.02Å; V32-I36 PolarHBondContact O-N 3.36Å
33	W	57.8	Low	67	Low	124 Å²	124	102 Å²	102	47%	0.47	48%	0.481	S	S	.	.	H	α-helix	trans	-56.5	-34.3	175.8	180	-82.8	0	0	0	112.2	Y29 Y35 V42 I45	Y29-W33 AromaticContact CE1-CE3 3.91Å; Y29-W33 HydrophobicContact CE1-CE3 3.91Å; Y29-W33 HydrophobicContact CE1-CZ3 4.47Å; Y29-W33 HydrophobicContact CE2-CE3 4.06Å; Y29-W33 AromaticContact CZ-CE3 3.33Å; Y29-W33 AromaticContact CZ-CZ3 3.76Å; Y29-W33 VanDerWaalsContact O-CB 3.31Å; Y29-W33 WeakPolarHBondContact O-CB 3.1Å; Y29-W33 PolarHBondContact O-N 3.38Å; Y29-W33 WeakPolarHBondContact OH-CZ3 3.48Å; W33-Y35 PolarHBondContact O-N 3.37Å; W33-V42 HydrophobicContact CH2-CG2 4.42Å; W33-V42 HydrophobicContact CZ3-CG2 4.33Å; W33-I45 HydrophobicContact CZ3-CD1 4.43Å
34	R	55.3	Low	66.6	Low	237 Å²	237	99.5 Å²	99.5	89%	0.894	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.7	174.7	-116.2	-176.7	-174.6	170.1	2.3	113.4	V32	V32-R34 PolarHBondContact O-N 3Å
35	Y	52.4	Low	66.2	Low	204 Å²	204	96 Å²	96	80%	0.8	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-36.8	-172.2	-157.8	-97.1	0	0	0	112.7	V32 W33	V32-Y35 CarbonylContact O-C 3.59Å; V32-Y35 WeakPolarHBondContact O-CA 3.49Å; V32-Y35 PolarHBondContact O-N 2.93Å; W33-Y35 PolarHBondContact O-N 3.37Å
36	I	51.7	Low	66	Low	89 Å²	89	93.7 Å²	93.7	46%	0.456	44%	0.439	S	S	.	.			trans	-135.1	112.8	-178.2	-126.3	93.1	0	0	0	109.3	V32 S38	V32-I36 HydrophobicContact CG1-CG2 4.02Å; V32-I36 PolarHBondContact O-N 3.36Å; I36-S38 PolarHBondContact O-N 3.33Å
37	R	52.7	Low	65.9	Low	236 Å²	236	96.5 Å²	96.5	89%	0.891	45%	0.447	S	S	*	.			trans	-78.1	68.1	170.9	-167.2	172.4	-174.8	153.1	-0.1	108.5
38	S	57.6	Low	65.7	Low	45 Å²	45	92 Å²	92	32%	0.315	42%	0.424	S	S	.	.			trans	-99	144.8	-176.4	177.6	0	0	0	0	112.1	I36 R40 S41	I36-S38 PolarHBondContact O-N 3.33Å; S38-R40 PolarHBondContact O-N 3.41Å; S38-S41 WeakPolarHBondContact O-CB 3.4Å; S38-S41 PolarHBondContact O-N 3.09Å; S38-S41 VanDerWaalsContact O-N 3.07Å; S38-S41 PolarHBondContact O-OG 2.97Å
39	E	62.1	Low	65.5	Low	54 Å²	54	91 Å²	91	25%	0.252	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.5	178.7	-29.3	177.1	77	0	0	113.5	S41 V42 W88 E92	E39-S41 PolarHBondContact O-N 3.29Å; E39-V42 PolarHBondContact O-N 3.28Å; E39-V42 VanDerWaalsContact O-N 3.16Å; E39-W88 PolarHBondContact OE1-NE1 2.95Å; E39-E92 WeakPolarHBondContact CG-OE1 3.31Å
40	R	66.1	Low	66	Low	203 Å²	203	91.1 Å²	91.1	77%	0.766	42%	0.422	S	S	*	.	H	α-helix	trans	-56.7	-24.1	178.1	-65.9	-163.4	-177	154.2	2.9	112.6	S38 L44	S38-R40 PolarHBondContact O-N 3.41Å; R40-L44 PolarHBondContact O-N 2.79Å
41	S	64.6	Low	66.5	Low	8 Å²	8	89.1 Å²	89.1	6%	0.056	41%	0.408	C	S	.	.	H	α-helix	trans	-65.5	-48.1	-179	-65.9	0	0	0	0	113	Y29 S38 E39 L44 I45	Y29-S41 VanDerWaalsContact CE2-O 3.24Å; Y29-S41 WeakPolarHBondContact CE2-O 3.42Å; Y29-S41 WeakPolarHBondContact CE2-OG 3.26Å; Y29-S41 VanDerWaalsContact CZ-CB 3.49Å; Y29-S41 WeakPolarHBondContact OH-CA 3.34Å; Y29-S41 WeakPolarHBondContact OH-CB 3Å; Y29-S41 PolarHBondContact OH-O 3.41Å; S38-S41 WeakPolarHBondContact O-CB 3.4Å; S38-S41 PolarHBondContact O-N 3.09Å; S38-S41 VanDerWaalsContact O-N 3.07Å; S38-S41 PolarHBondContact O-OG 2.97Å; E39-S41 PolarHBondContact O-N 3.29Å; S41-L44 PolarHBondContact O-N 3.2Å; S41-I45 PolarHBondContact O-N 3.45Å
42	V	69.1	Low	66.7	Low	52 Å²	52	89.4 Å²	89.4	32%	0.315	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-48.4	-174.6	177.5	0	0	0	0	109.4	W33 E39 L44 I45 N46	W33-V42 HydrophobicContact CH2-CG2 4.42Å; W33-V42 HydrophobicContact CZ3-CG2 4.33Å; E39-V42 PolarHBondContact O-N 3.28Å; E39-V42 VanDerWaalsContact O-N 3.16Å; V42-L44 PolarHBondContact O-N 2.91Å; V42-L44 VanDerWaalsContact O-N 3.13Å; V42-I45 PolarHBondContact O-N 2.85Å; V42-N46 PolarHBondContact O-N 3.34Å; V42-N46 PolarHBondContact O-ND2 3.33Å; V42-N46 PolarHBondContact O-OD1 3.34Å
43	I	73.3	Confident	67.1	Low	84 Å²	84	88 Å²	88	43%	0.431	40%	0.396	S	S	.	.	H	α-helix	trans	-52.4	-39.5	177.7	-63.7	157.7	0	0	0	112	N46 F47 S85	I43-N46 WeakPolarHBondContact O-CB 3.4Å; I43-N46 PolarHBondContact O-N 2.91Å; I43-F47 WeakPolarHBondContact O-CB 3.14Å; I43-F47 PolarHBondContact O-N 3.49Å; I43-S85 WeakPolarHBondContact CG1-OG 3.38Å
44	L	71.8	Confident	67.9	Low	58 Å²	58	84.4 Å²	84.4	30%	0.304	39%	0.39	S	S	.	.	H	α-helix	trans	-70.1	-42	-175.7	-155.9	69.4	0	0	0	113.5	L25 Y29 R40 S41 V42 N46 F47 C48	L25-L44 HydrophobicContact CD2-CD1 3.47Å; L25-L44 VanDerWaalsContact CD2-CD1 3.47Å; L25-L44 HydrophobicContact CD2-CD2 3.75Å; L25-L44 HydrophobicContact CD2-CG 3.56Å; L25-L44 HydrophobicContact CG-CD1 4.46Å; L25-L44 HydrophobicContact CG-CD2 3.99Å; L25-L44 HydrophobicContact CG-CG 4.36Å; Y29-L44 HydrophobicContact CD2-CB 4.47Å; Y29-L44 HydrophobicContact CD2-CD2 3.86Å; Y29-L44 HydrophobicContact CG-CD2 4.23Å; R40-L44 PolarHBondContact O-N 2.79Å; S41-L44 PolarHBondContact O-N 3.2Å; V42-L44 PolarHBondContact O-N 2.91Å; V42-L44 VanDerWaalsContact O-N 3.13Å; L44-N46 PolarHBondContact O-N 3.26Å; L44-F47 PolarHBondContact O-N 3.3Å; L44-C48 PolarHBondContact O-N 3.49Å; L44-C48 PolarHBondContact O-SG 2.9Å
45	I	71.3	Confident	68.9	Low	58 Å²	58	74.1 Å²	74.1	30%	0.297	35%	0.352	S	S	.	.	H	α-helix	trans	-58.2	-42.9	173.9	-66.8	166.7	0	0	0	109.5	Y29 W33 S41 V42 C48 L49	Y29-I45 HydrophobicContact CD1-CG1 4.01Å; Y29-I45 HydrophobicContact CE1-CD1 3.45Å; Y29-I45 VanDerWaalsContact CE1-CD1 3.45Å; Y29-I45 HydrophobicContact CE1-CG1 3.28Å; Y29-I45 WeakPolarHBondContact OH-CD1 3.31Å; Y29-I45 WeakPolarHBondContact OH-CG1 3.49Å; W33-I45 HydrophobicContact CZ3-CD1 4.43Å; S41-I45 PolarHBondContact O-N 3.45Å; V42-I45 PolarHBondContact O-N 2.85Å; I45-C48 PolarHBondContact O-N 2.87Å; I45-L49 HydrophobicContact CG2-CD1 4.01Å; I45-L49 HydrophobicContact CG2-CG 4.42Å; I45-L49 WeakPolarHBondContact O-CG 3.47Å; I45-L49 PolarHBondContact O-N 3.44Å
46	N	72.3	Confident	69.9	Low	10 Å²	10	66.1 Å²	66.1	5%	0.053	33%	0.328	C	S	.	.	H	α-helix	trans	-68.1	-41.8	-172.8	-54.5	169.6	0	0	0	110.8	V42 I43 L44 L49 S50 F81	V42-N46 PolarHBondContact O-N 3.34Å; V42-N46 PolarHBondContact O-ND2 3.33Å; V42-N46 PolarHBondContact O-OD1 3.34Å; I43-N46 WeakPolarHBondContact O-CB 3.4Å; I43-N46 PolarHBondContact O-N 2.91Å; L44-N46 PolarHBondContact O-N 3.26Å; N46-L49 PolarHBondContact O-N 3.49Å; N46-S50 PolarHBondContact O-N 3.04Å; N46-F81 HydrophobicContact CB-CB 3.66Å; N46-F81 HydrophobicContact CB-CD1 3.78Å; N46-F81 HydrophobicContact CB-CD2 3.31Å; N46-F81 HydrophobicContact CB-CE1 4.09Å; N46-F81 HydrophobicContact CB-CE2 3.67Å; N46-F81 HydrophobicContact CB-CG 3.33Å; N46-F81 HydrophobicContact CB-CZ 4.02Å; N46-F81 VanDerWaalsContact CG-CD2 3.46Å; N46-F81 VanDerWaalsContact CG-CZ 3.45Å; N46-F81 VanDerWaalsContact ND2-CD1 3.26Å; N46-F81 WeakPolarHBondContact ND2-CD1 2.89Å; N46-F81 WeakPolarHBondContact ND2-CE1 3.34Å; N46-F81 WeakPolarHBondContact ND2-CZ 3.48Å; N46-F81 VanDerWaalsContact OD1-CB 3.27Å; N46-F81 WeakPolarHBondContact OD1-CB 3.31Å; N46-F81 WeakPolarHBondContact OD1-CD1 3.4Å; N46-F81 VanDerWaalsContact OD1-CE1 3.24Å; N46-F81 WeakPolarHBondContact OD1-CE1 3.24Å; N46-F81 WeakPolarHBondContact OD1-CG 3.43Å
47	F	74	Confident	70.8	Confident	111 Å²	111	64 Å²	64	49%	0.487	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-43.6	172.4	-169.2	-102.3	0	0	0	111.6	I43 L44 L49 S50 I51	I43-F47 WeakPolarHBondContact O-CB 3.14Å; I43-F47 PolarHBondContact O-N 3.49Å; L44-F47 PolarHBondContact O-N 3.3Å; F47-L49 PolarHBondContact O-N 2.91Å; F47-S50 WeakPolarHBondContact O-CB 3.12Å; F47-S50 PolarHBondContact O-N 2.65Å; F47-I51 HydrophobicContact CD1-CG1 4.25Å; F47-I51 HydrophobicContact CE1-CD1 4.21Å; F47-I51 HydrophobicContact CE1-CG1 3.93Å; F47-I51 HydrophobicContact CZ-CD1 3.98Å; F47-I51 HydrophobicContact CZ-CG1 4.15Å; F47-I51 WeakPolarHBondContact O-CG1 3.41Å; F47-I51 PolarHBondContact O-N 2.86Å
48	C	76.1	Confident	71.7	Confident	3 Å²	3	56 Å²	56	2%	0.02	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-45.7	177.1	-67.6	0	0	0	0	112.9	L22 V26 L44 I45 S50 I51 I52	L22-C48 HydrophobicContact CD2-CB 4.15Å; V26-C48 HydrophobicContact CG2-CB 3.94Å; L44-C48 PolarHBondContact O-N 3.49Å; L44-C48 PolarHBondContact O-SG 2.9Å; I45-C48 PolarHBondContact O-N 2.87Å; C48-S50 VanDerWaalsContact C-N 3.29Å; C48-S50 PolarHBondContact O-N 2.76Å; C48-I51 PolarHBondContact O-N 3.23Å; C48-I52 VanDerWaalsContact O-CG1 3.28Å; C48-I52 WeakPolarHBondContact O-CG1 3.32Å; C48-I52 PolarHBondContact O-N 3.4Å
49	L	73.6	Confident	72.1	Confident	87 Å²	87	59.5 Å²	59.5	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-37.1	176.9	-73.3	173.2	0	0	0	112.3	I45 N46 F47 S53	I45-L49 HydrophobicContact CG2-CD1 4.01Å; I45-L49 HydrophobicContact CG2-CG 4.42Å; I45-L49 WeakPolarHBondContact O-CG 3.47Å; I45-L49 PolarHBondContact O-N 3.44Å; N46-L49 PolarHBondContact O-N 3.49Å; F47-L49 PolarHBondContact O-N 2.91Å; L49-S53 VanDerWaalsContact O-CB 3.31Å; L49-S53 WeakPolarHBondContact O-CB 3.27Å; L49-S53 PolarHBondContact O-N 2.87Å; L49-S53 VanDerWaalsContact O-N 3.09Å; L49-S53 PolarHBondContact O-OG 3.32Å
50	S	79.3	Confident	72.4	Confident	16 Å²	16	59.2 Å²	59.2	11%	0.112	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-46.7	175.4	-175.6	0	0	0	0	111.9	N46 F47 C48 S53 S54 L78	N46-S50 PolarHBondContact O-N 3.04Å; F47-S50 WeakPolarHBondContact O-CB 3.12Å; F47-S50 PolarHBondContact O-N 2.65Å; C48-S50 VanDerWaalsContact C-N 3.29Å; C48-S50 PolarHBondContact O-N 2.76Å; S50-S53 PolarHBondContact O-N 2.94Å; S50-S54 PolarHBondContact O-N 3.38Å; S50-L78 WeakPolarHBondContact OG-CD1 3.39Å; S50-L78 WeakPolarHBondContact OG-CG 3.15Å
51	I	77.7	Confident	72.3	Confident	47 Å²	47	51.2 Å²	51.2	24%	0.241	29%	0.287	C	S	.	.	H	α-helix	trans	-70.6	-40.9	-179.1	-56.9	-79.2	0	0	0	111.3	L22 F47 C48 S53 S54 N55	L22-I51 HydrophobicContact CD1-CB 3.53Å; L22-I51 HydrophobicContact CD1-CG1 4.45Å; L22-I51 HydrophobicContact CD1-CG2 3.44Å; L22-I51 VanDerWaalsContact CD1-CG2 3.44Å; L22-I51 HydrophobicContact CD2-CB 4.32Å; L22-I51 HydrophobicContact CD2-CG1 4.4Å; L22-I51 HydrophobicContact CG-CG2 4.49Å; F47-I51 HydrophobicContact CD1-CG1 4.25Å; F47-I51 HydrophobicContact CE1-CD1 4.21Å; F47-I51 HydrophobicContact CE1-CG1 3.93Å; F47-I51 HydrophobicContact CZ-CD1 3.98Å; F47-I51 HydrophobicContact CZ-CG1 4.15Å; F47-I51 WeakPolarHBondContact O-CG1 3.41Å; F47-I51 PolarHBondContact O-N 2.86Å; C48-I51 PolarHBondContact O-N 3.23Å; I51-S53 PolarHBondContact O-N 3.45Å; I51-S54 WeakPolarHBondContact O-CB 3.31Å; I51-S54 PolarHBondContact O-N 2.98Å; I51-S54 VanDerWaalsContact O-N 3.12Å; I51-N55 PolarHBondContact O-N 3.49Å
52	I	76.5	Confident	72.1	Confident	84 Å²	84	55.5 Å²	55.5	43%	0.431	31%	0.306	S	S	.	.	H	α-helix	trans	-56.2	-44	174.8	-71	167.1	0	0	0	110.2	L22 C48 N55 A56	L22-I52 HydrophobicContact CD1-CG1 4.13Å; C48-I52 VanDerWaalsContact O-CG1 3.28Å; C48-I52 WeakPolarHBondContact O-CG1 3.32Å; C48-I52 PolarHBondContact O-N 3.4Å; I52-N55 PolarHBondContact O-N 3.37Å; I52-A56 PolarHBondContact O-N 3.46Å
53	S	74.4	Confident	71.5	Confident	37 Å²	37	57.9 Å²	57.9	26%	0.259	32%	0.321	S	S	.	.	H	α-helix	trans	-70.5	-32.9	179.4	-59	0	0	0	0	112.5	L49 S50 I51 A56 L57	L49-S53 VanDerWaalsContact O-CB 3.31Å; L49-S53 WeakPolarHBondContact O-CB 3.27Å; L49-S53 PolarHBondContact O-N 2.87Å; L49-S53 VanDerWaalsContact O-N 3.09Å; L49-S53 PolarHBondContact O-OG 3.32Å; S50-S53 PolarHBondContact O-N 2.94Å; I51-S53 PolarHBondContact O-N 3.45Å; S53-A56 PolarHBondContact O-N 3.04Å; S53-L57 WeakPolarHBondContact O-CG 3.41Å; S53-L57 PolarHBondContact O-N 3.23Å
54	S	74.5	Confident	70.2	Confident	50 Å²	50	60.4 Å²	60.4	35%	0.35	33%	0.331	S	S	.	.	H	α-helix	trans	-66	-42.1	171.5	-167.1	0	0	0	0	112.3	S50 I51 A56 L57 I58	S50-S54 PolarHBondContact O-N 3.38Å; I51-S54 WeakPolarHBondContact O-CB 3.31Å; I51-S54 PolarHBondContact O-N 2.98Å; I51-S54 VanDerWaalsContact O-N 3.12Å; S54-A56 VanDerWaalsContact C-N 3.32Å; S54-A56 PolarHBondContact O-N 3.43Å; S54-L57 WeakPolarHBondContact O-CB 2.68Å; S54-L57 PolarHBondContact O-N 3Å; S54-I58 WeakPolarHBondContact O-CG1 3.48Å; S54-I58 PolarHBondContact O-N 3.07Å
55	N	75.5	Confident	69.3	Low	20 Å²	20	63.7 Å²	63.7	11%	0.107	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-39.8	174.1	-74.5	-11.7	0	0	0	111.1	C15 S19 I51 I52 L57 I58 L59	C15-N55 HydrophobicContact CB-CB 4.48Å; C15-N55 PolarHBondContact O-ND2 3.31Å; S19-N55 PolarHBondContact OG-ND2 2.96Å; I51-N55 PolarHBondContact O-N 3.49Å; I52-N55 PolarHBondContact O-N 3.37Å; N55-L57 PolarHBondContact O-N 3.33Å; N55-I58 PolarHBondContact O-N 3.4Å; N55-L59 WeakPolarHBondContact O-CB 3.01Å; N55-L59 PolarHBondContact O-N 2.96Å
56	A	73.5	Confident	68.4	Low	36 Å²	36	71 Å²	71	30%	0.298	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-39.4	173.5	0	0	0	0	0	112.3	I52 S53 S54 L59 I60	I52-A56 PolarHBondContact O-N 3.46Å; S53-A56 PolarHBondContact O-N 3.04Å; S54-A56 VanDerWaalsContact C-N 3.32Å; S54-A56 PolarHBondContact O-N 3.43Å; A56-L59 PolarHBondContact O-N 3Å; A56-I60 HydrophobicContact CB-CD1 4.48Å; A56-I60 VanDerWaalsContact O-CB 3.24Å; A56-I60 WeakPolarHBondContact O-CB 3.28Å; A56-I60 WeakPolarHBondContact O-CD1 3.24Å; A56-I60 WeakPolarHBondContact O-CG1 3.33Å; A56-I60 PolarHBondContact O-N 3.36Å
57	L	70.5	Confident	67.8	Low	44 Å²	44	74.5 Å²	74.5	23%	0.23	40%	0.396	C	S	.	.	H	α-helix	trans	-62.1	-42.2	174.8	-83.7	165.6	0	0	0	113	S53 S54 N55 G61 V70 C71 V74	S53-L57 WeakPolarHBondContact O-CG 3.41Å; S53-L57 PolarHBondContact O-N 3.23Å; S54-L57 WeakPolarHBondContact O-CB 2.68Å; S54-L57 PolarHBondContact O-N 3Å; N55-L57 PolarHBondContact O-N 3.33Å; L57-G61 WeakPolarHBondContact O-CA 3.08Å; L57-G61 PolarHBondContact O-N 3.46Å; L57-V70 HydrophobicContact CD1-CG1 4.13Å; L57-V70 HydrophobicContact CD2-CB 3.65Å; L57-V70 HydrophobicContact CD2-CG1 3.94Å; L57-V70 HydrophobicContact CG-CB 3.98Å; L57-V70 HydrophobicContact CG-CG1 3.66Å; L57-C71 HydrophobicContact CD1-CB 4.04Å; L57-C71 HydrophobicContact CD2-CB 4.21Å; L57-V74 HydrophobicContact CD1-CG2 4.32Å
58	I	71.8	Confident	67.2	Low	70 Å²	70	77.3 Å²	77.3	36%	0.359	41%	0.408	S	S	.	.	H	α-helix	trans	-65.6	-43	177.3	-67.4	165.7	0	0	0	110.1	L11 S54 N55	L11-I58 HydrophobicContact CD2-CG2 4.3Å; S54-I58 WeakPolarHBondContact O-CG1 3.48Å; S54-I58 PolarHBondContact O-N 3.07Å; N55-I58 PolarHBondContact O-N 3.4Å
59	L	67.3	Low	66.7	Low	118 Å²	118	81.9 Å²	81.9	62%	0.618	44%	0.436	S	S	*	.	H	α-helix	trans	-66.7	-44.5	178.6	-157.3	71.5	0	0	0	111.6	N55 A56 Q62 T63	N55-L59 WeakPolarHBondContact O-CB 3.01Å; N55-L59 PolarHBondContact O-N 2.96Å; A56-L59 PolarHBondContact O-N 3Å; L59-Q62 PolarHBondContact O-N 2.92Å; L59-T63 WeakPolarHBondContact O-CG2 2.87Å
60	I	66.9	Low	66.5	Low	48 Å²	48	79.4 Å²	79.4	25%	0.246	42%	0.424	C	S	.	.	H	α-helix	trans	-70.1	-36.2	178.5	-67.8	165.9	0	0	0	111.6	A56 Q62 T63 Q64 N67	A56-I60 HydrophobicContact CB-CD1 4.48Å; A56-I60 VanDerWaalsContact O-CB 3.24Å; A56-I60 WeakPolarHBondContact O-CB 3.28Å; A56-I60 WeakPolarHBondContact O-CD1 3.24Å; A56-I60 WeakPolarHBondContact O-CG1 3.33Å; A56-I60 PolarHBondContact O-N 3.36Å; I60-Q62 PolarHBondContact O-N 2.96Å; I60-T63 VanDerWaalsContact CA-CG2 3.47Å; I60-T63 HydrophobicContact CB-CG2 4.45Å; I60-T63 VanDerWaalsContact O-CG2 3.26Å; I60-T63 WeakPolarHBondContact O-CG2 3.38Å; I60-T63 PolarHBondContact O-N 3.4Å; I60-Q64 PolarHBondContact O-N 2.84Å; I60-N67 HydrophobicContact CG2-CB 4.06Å; I60-N67 WeakPolarHBondContact CG2-ND2 3.26Å
61	G	63.6	Low	66.1	Low	34 Å²	34	82.1 Å²	82.1	35%	0.351	44%	0.442	S	S	.	.	H	α-helix	trans	-61.6	-24	178.5	0	0	0	0	0	113.7	L57	L57-G61 WeakPolarHBondContact O-CA 3.08Å; L57-G61 PolarHBondContact O-N 3.46Å
62	Q	60.9	Low	66	Low	98 Å²	98	84.4 Å²	84.4	46%	0.458	46%	0.459	S	S	.	.	H	α-helix	trans	-78.2	-33.7	170.6	-66.5	-71.2	-75.5	0	0	112.7	L59 I60	L59-Q62 PolarHBondContact O-N 2.92Å; I60-Q62 PolarHBondContact O-N 2.96Å
63	T	56.5	Low	66	Low	103 Å²	103	84.5 Å²	84.5	63%	0.632	46%	0.459	S	S	*	.	H	α-helix	trans	-88.5	-30.2	-177.1	159.6	0	0	0	0	114	L59 I60	L59-T63 WeakPolarHBondContact O-CG2 2.87Å; I60-T63 VanDerWaalsContact CA-CG2 3.47Å; I60-T63 HydrophobicContact CB-CG2 4.45Å; I60-T63 VanDerWaalsContact O-CG2 3.26Å; I60-T63 WeakPolarHBondContact O-CG2 3.38Å; I60-T63 PolarHBondContact O-N 3.4Å
64	Q	46.5	Very low	65.9	Low	137 Å²	137	83.7 Å²	83.7	64%	0.64	45%	0.453	S	S	*	.			trans	-164.3	118.9	170.7	-155.6	65.8	-52.2	0	0	110.9	I60 R66	I60-Q64 PolarHBondContact O-N 2.84Å; Q64-R66 PolarHBondContact O-N 2.88Å
65	T	52.6	Low	66.1	Low	127 Å²	127	84.1 Å²	84.1	78%	0.779	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	63.6	-179.5	52.9	0	0	0	0	112.8
66	R	52.5	Low	66.4	Low	210 Å²	210	85.8 Å²	85.8	79%	0.792	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159.8	5.6	178.3	-130	179.4	105.6	-162.7	6.2	121	Q64 K68	Q64-R66 PolarHBondContact O-N 2.88Å; R66-K68 VanDerWaalsContact C-N 3.27Å; R66-K68 PolarHBondContact O-N 3.37Å
67	N	59	Low	66.6	Low	84 Å²	84	89.3 Å²	89.3	45%	0.449	49%	0.485	S	S	.	.			trans	-87.9	62.5	-179.2	-72.5	-13.8	0	0	0	113.3	I60 V69 V70	I60-N67 HydrophobicContact CG2-CB 4.06Å; I60-N67 WeakPolarHBondContact CG2-ND2 3.26Å; N67-V69 PolarHBondContact O-N 3.18Å; N67-V70 HydrophobicContact CB-CG2 4.33Å; N67-V70 PolarHBondContact O-N 3.23Å; N67-V70 VanDerWaalsContact O-N 3.11Å
68	K	62.3	Low	66.9	Low	170 Å²	170	90.2 Å²	90.2	74%	0.739	49%	0.49	S	S	*	.	H	α-helix	trans	-53.3	-24.6	170.4	-69.4	-174.9	178.7	178.2	0	113	R66 V70 C71 T72	R66-K68 VanDerWaalsContact C-N 3.27Å; R66-K68 PolarHBondContact O-N 3.37Å; K68-V70 PolarHBondContact O-N 2.91Å; K68-C71 PolarHBondContact O-N 3.24Å; K68-T72 PolarHBondContact O-N 3.46Å; K68-T72 PolarHBondContact O-OG1 2.92Å
69	V	66	Low	67.4	Low	100 Å²	100	93.3 Å²	93.3	61%	0.606	50%	0.502	S	S	*	.	H	α-helix	trans	-58.2	-46	176.5	-178.8	0	0	0	0	111.2	N67 C71 T72 L73	N67-V69 PolarHBondContact O-N 3.18Å; V69-C71 PolarHBondContact O-N 2.84Å; V69-T72 PolarHBondContact O-N 3.49Å; V69-L73 HydrophobicContact CG1-CD1 3.94Å; V69-L73 HydrophobicContact CG1-CG 4.44Å; V69-L73 WeakPolarHBondContact O-CB 3.3Å; V69-L73 VanDerWaalsContact O-CG 3.26Å; V69-L73 WeakPolarHBondContact O-CG 3.1Å; V69-L73 PolarHBondContact O-N 3.42Å
70	V	67.9	Low	67.9	Low	34 Å²	34	94.1 Å²	94.1	21%	0.206	50%	0.501	C	S	.	.	H	α-helix	trans	-70.7	-37.1	-176.2	-176.5	0	0	0	0	111	L57 N67 K68 L73 V74	L57-V70 HydrophobicContact CD1-CG1 4.13Å; L57-V70 HydrophobicContact CD2-CB 3.65Å; L57-V70 HydrophobicContact CD2-CG1 3.94Å; L57-V70 HydrophobicContact CG-CB 3.98Å; L57-V70 HydrophobicContact CG-CG1 3.66Å; N67-V70 HydrophobicContact CB-CG2 4.33Å; N67-V70 PolarHBondContact O-N 3.23Å; N67-V70 VanDerWaalsContact O-N 3.11Å; K68-V70 PolarHBondContact O-N 2.91Å; V70-L73 PolarHBondContact O-N 3.47Å; V70-V74 VanDerWaalsContact O-CG2 3.31Å; V70-V74 WeakPolarHBondContact O-CG2 3.29Å; V70-V74 PolarHBondContact O-N 2.82Å
71	C	72	Confident	67.9	Low	74 Å²	74	93.6 Å²	93.6	50%	0.5	50%	0.497	S	S	.	.	H	α-helix	trans	-63.8	-44.7	174.8	177.4	0	0	0	0	111.8	L57 K68 V69 L73 V74 A75	L57-C71 HydrophobicContact CD1-CB 4.04Å; L57-C71 HydrophobicContact CD2-CB 4.21Å; K68-C71 PolarHBondContact O-N 3.24Å; V69-C71 PolarHBondContact O-N 2.84Å; C71-L73 VanDerWaalsContact C-N 3.33Å; C71-L73 PolarHBondContact O-N 3.49Å; C71-V74 PolarHBondContact O-N 2.98Å; C71-A75 PolarHBondContact O-N 2.8Å
72	T	76.3	Confident	68.3	Low	95 Å²	95	98.1 Å²	98.1	58%	0.583	51%	0.508	S	S	*	.	H	α-helix	trans	-64.5	-40.4	177.8	-51.4	0	0	0	0	111.1	K68 V69 A75 A76	K68-T72 PolarHBondContact O-N 3.46Å; K68-T72 PolarHBondContact O-OG1 2.92Å; V69-T72 PolarHBondContact O-N 3.49Å; T72-A75 PolarHBondContact O-N 2.85Å; T72-A76 WeakPolarHBondContact O-CB 3.41Å; T72-A76 PolarHBondContact O-N 3.29Å
73	L	75.6	Confident	69.4	Low	85 Å²	85	98.2 Å²	98.2	45%	0.445	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-47.4	174.4	-74.4	170.2	0	0	0	111.3	V69 V70 C71 A75 A76 F77	V69-L73 HydrophobicContact CG1-CD1 3.94Å; V69-L73 HydrophobicContact CG1-CG 4.44Å; V69-L73 WeakPolarHBondContact O-CB 3.3Å; V69-L73 VanDerWaalsContact O-CG 3.26Å; V69-L73 WeakPolarHBondContact O-CG 3.1Å; V69-L73 PolarHBondContact O-N 3.42Å; V70-L73 PolarHBondContact O-N 3.47Å; C71-L73 VanDerWaalsContact C-N 3.33Å; C71-L73 PolarHBondContact O-N 3.49Å; L73-A75 VanDerWaalsContact C-N 3.35Å; L73-A75 PolarHBondContact O-N 3.37Å; L73-A76 PolarHBondContact O-N 3.21Å; L73-F77 HydrophobicContact CB-CD2 4.26Å; L73-F77 HydrophobicContact CB-CE2 4.22Å; L73-F77 HydrophobicContact CD2-CE2 4.12Å; L73-F77 WeakPolarHBondContact O-CB 3.31Å; L73-F77 WeakPolarHBondContact O-CD2 3.43Å; L73-F77 PolarHBondContact O-N 2.89Å
74	V	72.1	Confident	70.5	Confident	20 Å²	20	95.6 Å²	95.6	12%	0.121	50%	0.497	C	S	.	.	H	α-helix	trans	-56.9	-48	176.8	171.2	0	0	0	0	111.5	L57 V70 C71 A76 F77 L78	L57-V74 HydrophobicContact CD1-CG2 4.32Å; V70-V74 VanDerWaalsContact O-CG2 3.31Å; V70-V74 WeakPolarHBondContact O-CG2 3.29Å; V70-V74 PolarHBondContact O-N 2.82Å; C71-V74 PolarHBondContact O-N 2.98Å; V74-A76 PolarHBondContact O-N 3.42Å; V74-F77 PolarHBondContact O-N 3.43Å; V74-L78 HydrophobicContact CG1-CD1 4.11Å; V74-L78 WeakPolarHBondContact O-CB 3.37Å; V74-L78 PolarHBondContact O-N 3.39Å
75	A	78.5	Confident	71.9	Confident	59 Å²	59	90.1 Å²	90.1	49%	0.488	47%	0.473	S	S	.	.	H	α-helix	trans	-61.9	-43.3	178.6	0	0	0	0	0	111.9	C71 T72 L73 H79	C71-A75 PolarHBondContact O-N 2.8Å; T72-A75 PolarHBondContact O-N 2.85Å; L73-A75 VanDerWaalsContact C-N 3.35Å; L73-A75 PolarHBondContact O-N 3.37Å; A75-H79 WeakPolarHBondContact O-CB 3.5Å; A75-H79 PolarHBondContact O-N 3.48Å; A75-H79 VanDerWaalsContact O-N 3.1Å
76	A	82.8	Confident	73.1	Confident	56 Å²	56	90.8 Å²	90.8	46%	0.463	47%	0.466	S	S	.	.	H	α-helix	trans	-64.8	-43.5	177.5	0	0	0	0	0	112.3	T72 L73 V74 H79 F80	T72-A76 WeakPolarHBondContact O-CB 3.41Å; T72-A76 PolarHBondContact O-N 3.29Å; L73-A76 PolarHBondContact O-N 3.21Å; V74-A76 PolarHBondContact O-N 3.42Å; A76-H79 PolarHBondContact O-N 3.13Å; A76-F80 WeakPolarHBondContact O-CB 3.27Å; A76-F80 PolarHBondContact O-N 2.82Å
77	F	76.9	Confident	74.6	Confident	110 Å²	110	84.1 Å²	84.1	48%	0.482	45%	0.451	S	S	.	.	H	α-helix	trans	-65.1	-45.3	177.9	-80.5	-64.7	0	0	0	111.8	L73 V74 H79 F80 F81	L73-F77 HydrophobicContact CB-CD2 4.26Å; L73-F77 HydrophobicContact CB-CE2 4.22Å; L73-F77 HydrophobicContact CD2-CE2 4.12Å; L73-F77 WeakPolarHBondContact O-CB 3.31Å; L73-F77 WeakPolarHBondContact O-CD2 3.43Å; L73-F77 PolarHBondContact O-N 2.89Å; V74-F77 PolarHBondContact O-N 3.43Å; F77-H79 VanDerWaalsContact C-N 3.3Å; F77-H79 PolarHBondContact O-N 3.16Å; F77-F80 PolarHBondContact O-N 3.36Å; F77-F81 HydrophobicContact CB-CD2 4.23Å; F77-F81 HydrophobicContact CB-CE2 4.29Å; F77-F81 HydrophobicContact CD1-CE2 4.12Å; F77-F81 VanDerWaalsContact O-CB 3.31Å; F77-F81 WeakPolarHBondContact O-CB 3.43Å; F77-F81 WeakPolarHBondContact O-CD2 3.24Å; F77-F81 WeakPolarHBondContact O-CG 3.27Å; F77-F81 PolarHBondContact O-N 3.39Å
78	L	77.1	Confident	75.5	Confident	62 Å²	62	86.2 Å²	86.2	33%	0.325	45%	0.452	S	S	.	.	H	α-helix	trans	-56.7	-45.2	175.1	-82.9	171.2	0	0	0	111.7	S50 V74 F81 F82	S50-L78 WeakPolarHBondContact OG-CD1 3.39Å; S50-L78 WeakPolarHBondContact OG-CG 3.15Å; V74-L78 HydrophobicContact CG1-CD1 4.11Å; V74-L78 WeakPolarHBondContact O-CB 3.37Å; V74-L78 PolarHBondContact O-N 3.39Å; L78-F81 PolarHBondContact O-N 3.23Å; L78-F82 PolarHBondContact O-N 2.92Å
79	H	81.9	Confident	76.3	Confident	135 Å²	135	81.7 Å²	81.7	63%	0.625	44%	0.439	S	S	*	.	H	α-helix	trans	-64.4	-48.3	179.8	-154.1	143.1	0	0	0	111.3	A75 A76 F77 F81 F82 L83	A75-H79 WeakPolarHBondContact O-CB 3.5Å; A75-H79 PolarHBondContact O-N 3.48Å; A75-H79 VanDerWaalsContact O-N 3.1Å; A76-H79 PolarHBondContact O-N 3.13Å; F77-H79 VanDerWaalsContact C-N 3.3Å; F77-H79 PolarHBondContact O-N 3.16Å; H79-F81 PolarHBondContact O-N 3.22Å; H79-F82 PolarHBondContact O-N 2.86Å; H79-L83 WeakPolarHBondContact O-CB 3.45Å; H79-L83 PolarHBondContact O-N 2.72Å
80	F	77.3	Confident	77.2	Confident	136 Å²	136	82.7 Å²	82.7	60%	0.596	44%	0.44	S	S	*	.	H	α-helix	trans	-57.7	-38.9	177.1	-176.6	-98.7	0	0	0	111.9	A76 F77 L83 S84	A76-F80 WeakPolarHBondContact O-CB 3.27Å; A76-F80 PolarHBondContact O-N 2.82Å; F77-F80 PolarHBondContact O-N 3.36Å; F80-L83 WeakPolarHBondContact O-CB 3.46Å; F80-L83 PolarHBondContact O-N 2.91Å; F80-S84 WeakPolarHBondContact O-CB 3.41Å; F80-S84 PolarHBondContact O-N 2.99Å
81	F	68.8	Low	77.8	Confident	37 Å²	37	85 Å²	85	16%	0.162	45%	0.454	C	S	.	.	H	α-helix	trans	-76.8	-35.3	-178.2	-76.5	-50.8	0	0	0	114.5	N46 F77 L78 H79 L83 S84 S85	N46-F81 HydrophobicContact CB-CB 3.66Å; N46-F81 HydrophobicContact CB-CD1 3.78Å; N46-F81 HydrophobicContact CB-CD2 3.31Å; N46-F81 HydrophobicContact CB-CE1 4.09Å; N46-F81 HydrophobicContact CB-CE2 3.67Å; N46-F81 HydrophobicContact CB-CG 3.33Å; N46-F81 HydrophobicContact CB-CZ 4.02Å; N46-F81 VanDerWaalsContact CG-CD2 3.46Å; N46-F81 VanDerWaalsContact CG-CZ 3.45Å; N46-F81 VanDerWaalsContact ND2-CD1 3.26Å; N46-F81 WeakPolarHBondContact ND2-CD1 2.89Å; N46-F81 WeakPolarHBondContact ND2-CE1 3.34Å; N46-F81 WeakPolarHBondContact ND2-CZ 3.48Å; N46-F81 VanDerWaalsContact OD1-CB 3.27Å; N46-F81 WeakPolarHBondContact OD1-CB 3.31Å; N46-F81 WeakPolarHBondContact OD1-CD1 3.4Å; N46-F81 VanDerWaalsContact OD1-CE1 3.24Å; N46-F81 WeakPolarHBondContact OD1-CE1 3.24Å; N46-F81 WeakPolarHBondContact OD1-CG 3.43Å; F77-F81 HydrophobicContact CB-CD2 4.23Å; F77-F81 HydrophobicContact CB-CE2 4.29Å; F77-F81 HydrophobicContact CD1-CE2 4.12Å; F77-F81 VanDerWaalsContact O-CB 3.31Å; F77-F81 WeakPolarHBondContact O-CB 3.43Å; F77-F81 WeakPolarHBondContact O-CD2 3.24Å; F77-F81 WeakPolarHBondContact O-CG 3.27Å; F77-F81 PolarHBondContact O-N 3.39Å; L78-F81 PolarHBondContact O-N 3.23Å; H79-F81 PolarHBondContact O-N 3.22Å; F81-L83 VanDerWaalsContact C-N 3.29Å; F81-S84 PolarHBondContact O-N 3.27Å; F81-S85 WeakPolarHBondContact O-CB 3.49Å; F81-S85 PolarHBondContact O-N 2.58Å; F81-S85 PolarHBondContact O-OG 3.45Å
82	F	71.5	Confident	78	Confident	129 Å²	129	85.4 Å²	85.4	57%	0.566	45%	0.449	S	S	*	.	H	α-helix	trans	-58	-47.4	165.6	-98.8	-75.6	0	0	0	110.5	L78 H79 S84 S85 F86	L78-F82 PolarHBondContact O-N 2.92Å; H79-F82 PolarHBondContact O-N 2.86Å; F82-S84 PolarHBondContact O-N 2.94Å; F82-S85 PolarHBondContact O-N 2.96Å; F82-F86 HydrophobicContact CB-CD2 4.46Å; F82-F86 HydrophobicContact CB-CE2 4.49Å; F82-F86 HydrophobicContact CD1-CD2 4.36Å; F82-F86 AromaticContact CD1-CE2 3.76Å; F82-F86 HydrophobicContact CD1-CE2 3.76Å; F82-F86 WeakPolarHBondContact O-CD2 3.13Å; F82-F86 PolarHBondContact O-N 2.92Å
83	L	83.2	Confident	78.3	Confident	100 Å²	100	83.5 Å²	83.5	52%	0.524	44%	0.443	S	S	.	.	H	α-helix	trans	-61.9	-43.9	-179.8	-141.9	77.4	0	0	0	112	H79 F80 F81 S85 F86 C87	H79-L83 WeakPolarHBondContact O-CB 3.45Å; H79-L83 PolarHBondContact O-N 2.72Å; F80-L83 WeakPolarHBondContact O-CB 3.46Å; F80-L83 PolarHBondContact O-N 2.91Å; F81-L83 VanDerWaalsContact C-N 3.29Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 3.47Å; L83-F86 PolarHBondContact O-N 2.92Å; L83-C87 WeakPolarHBondContact O-CB 3.32Å; L83-C87 PolarHBondContact O-N 2.75Å; L83-C87 PolarHBondContact O-SG 3.3Å; L83-C87 VanDerWaalsContact O-SG 3.36Å
84	S	79.7	Confident	78.6	Confident	48 Å²	48	86.9 Å²	86.9	34%	0.336	45%	0.45	S	S	.	.	H	α-helix	trans	-59.6	-44.4	175.8	-175.7	0	0	0	0	111.7	F80 F81 F82 C87 W88	F80-S84 WeakPolarHBondContact O-CB 3.41Å; F80-S84 PolarHBondContact O-N 2.99Å; F81-S84 PolarHBondContact O-N 3.27Å; F82-S84 PolarHBondContact O-N 2.94Å; S84-C87 PolarHBondContact O-N 3.5Å; S84-W88 WeakPolarHBondContact O-CB 3.42Å; S84-W88 PolarHBondContact O-N 3.46Å
85	S	75.8	Confident	78.9	Confident	22 Å²	22	92.5 Å²	92.5	15%	0.154	48%	0.475	C	S	.	.	H	α-helix	trans	-65.8	-41.7	177.9	-53.3	0	0	0	0	111.8	I43 F81 F82 L83 W88 V89	I43-S85 WeakPolarHBondContact CG1-OG 3.38Å; F81-S85 WeakPolarHBondContact O-CB 3.49Å; F81-S85 PolarHBondContact O-N 2.58Å; F81-S85 PolarHBondContact O-OG 3.45Å; F82-S85 PolarHBondContact O-N 2.96Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 3.47Å; S85-W88 PolarHBondContact O-N 2.94Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.18Å
86	F	78.9	Confident	78.9	Confident	140 Å²	140	93.2 Å²	93.2	61%	0.614	48%	0.476	S	S	*	.	H	α-helix	trans	-63.6	-46	174.2	-83.5	-65.5	0	0	0	112.2	F82 L83 W88 V89 L90	F82-F86 HydrophobicContact CB-CD2 4.46Å; F82-F86 HydrophobicContact CB-CE2 4.49Å; F82-F86 HydrophobicContact CD1-CD2 4.36Å; F82-F86 AromaticContact CD1-CE2 3.76Å; F82-F86 HydrophobicContact CD1-CE2 3.76Å; F82-F86 WeakPolarHBondContact O-CD2 3.13Å; F82-F86 PolarHBondContact O-N 2.92Å; L83-F86 PolarHBondContact O-N 2.92Å; F86-W88 VanDerWaalsContact C-N 3.27Å; F86-W88 PolarHBondContact O-N 3.18Å; F86-V89 PolarHBondContact O-N 3.37Å; F86-L90 WeakPolarHBondContact O-CB 2.91Å; F86-L90 PolarHBondContact O-N 2.97Å
87	C	83.8	Confident	78.8	Confident	71 Å²	71	97 Å²	97	48%	0.48	48%	0.48	S	S	.	.	H	α-helix	trans	-61	-38.5	176.6	-77.1	0	0	0	0	111.8	L83 S84 T91	L83-C87 WeakPolarHBondContact O-CB 3.32Å; L83-C87 PolarHBondContact O-N 2.75Å; L83-C87 PolarHBondContact O-SG 3.3Å; L83-C87 VanDerWaalsContact O-SG 3.36Å; S84-C87 PolarHBondContact O-N 3.5Å; C87-T91 WeakPolarHBondContact O-CB 3.37Å; C87-T91 PolarHBondContact O-N 2.93Å; C87-T91 PolarHBondContact O-OG1 2.98Å
88	W	77.1	Confident	78.7	Confident	127 Å²	127	93.9 Å²	93.9	48%	0.481	47%	0.467	S	S	.	.	H	α-helix	trans	-69.4	-51	178.5	-174.9	-86.8	0	0	0	111.9	E39 S84 S85 F86 L90 T91 E92	E39-W88 PolarHBondContact OE1-NE1 2.95Å; S84-W88 WeakPolarHBondContact O-CB 3.42Å; S84-W88 PolarHBondContact O-N 3.46Å; S85-W88 PolarHBondContact O-N 2.94Å; F86-W88 VanDerWaalsContact C-N 3.27Å; F86-W88 PolarHBondContact O-N 3.18Å; W88-L90 VanDerWaalsContact C-N 3.25Å; W88-L90 PolarHBondContact O-N 3.48Å; W88-T91 WeakPolarHBondContact O-CA 3.04Å; W88-T91 VanDerWaalsContact O-CB 3.31Å; W88-T91 WeakPolarHBondContact O-CB 2.85Å; W88-T91 PolarHBondContact O-N 3.26Å; W88-E92 PolarHBondContact NE1-OE1 2.96Å; W88-E92 VanDerWaalsContact NE1-OE1 3.13Å; W88-E92 PolarHBondContact O-N 3.07Å
89	V	79.7	Confident	78.7	Confident	76 Å²	76	94 Å²	94	46%	0.461	48%	0.476	S	S	.	.	H	α-helix	trans	-59.4	-38	175.3	172.5	0	0	0	0	111.2	S85 F86 T91 E92 A93	S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.18Å; F86-V89 PolarHBondContact O-N 3.37Å; V89-T91 VanDerWaalsContact C-N 3.32Å; V89-T91 PolarHBondContact O-N 3.15Å; V89-E92 PolarHBondContact O-N 3.41Å; V89-A93 VanDerWaalsContact O-CB 3.27Å; V89-A93 WeakPolarHBondContact O-CB 3.47Å; V89-A93 PolarHBondContact O-N 2.83Å
90	L	84.2	Confident	78.5	Confident	120 Å²	120	93.2 Å²	93.2	63%	0.628	48%	0.481	S	S	*	.	H	α-helix	trans	-64	-38.1	174.1	-175.3	67.8	0	0	0	111.6	F86 W88 W94	F86-L90 WeakPolarHBondContact O-CB 2.91Å; F86-L90 PolarHBondContact O-N 2.97Å; W88-L90 VanDerWaalsContact C-N 3.25Å; W88-L90 PolarHBondContact O-N 3.48Å; L90-W94 WeakPolarHBondContact O-CB 3.23Å; L90-W94 PolarHBondContact O-N 2.93Å
91	T	80.4	Confident	78.6	Confident	82 Å²	82	89.5 Å²	89.5	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-67.1	-41.8	176.4	-58.3	0	0	0	0	111.1	C87 W88 V89 W94 Q95	C87-T91 WeakPolarHBondContact O-CB 3.37Å; C87-T91 PolarHBondContact O-N 2.93Å; C87-T91 PolarHBondContact O-OG1 2.98Å; W88-T91 WeakPolarHBondContact O-CA 3.04Å; W88-T91 VanDerWaalsContact O-CB 3.31Å; W88-T91 WeakPolarHBondContact O-CB 2.85Å; W88-T91 PolarHBondContact O-N 3.26Å; V89-T91 VanDerWaalsContact C-N 3.32Å; V89-T91 PolarHBondContact O-N 3.15Å; T91-W94 PolarHBondContact O-N 3.5Å; T91-Q95 WeakPolarHBondContact O-CB 3.34Å; T91-Q95 PolarHBondContact O-N 3.13Å
92	E	76.5	Confident	78.3	Confident	83 Å²	83	90 Å²	90	39%	0.388	49%	0.485	S	S	.	.	H	α-helix	trans	-65.8	-44.5	174.9	-66.3	-155.8	160.9	0	0	112	E39 W88 V89 W94 Q95 S96	E39-E92 WeakPolarHBondContact CG-OE1 3.31Å; W88-E92 PolarHBondContact NE1-OE1 2.96Å; W88-E92 VanDerWaalsContact NE1-OE1 3.13Å; W88-E92 PolarHBondContact O-N 3.07Å; V89-E92 PolarHBondContact O-N 3.41Å; E92-W94 VanDerWaalsContact C-N 3.31Å; E92-W94 PolarHBondContact O-N 3.43Å; E92-Q95 PolarHBondContact O-N 3.26Å; E92-S96 WeakPolarHBondContact O-CB 3.28Å; E92-S96 PolarHBondContact O-N 3Å
93	A	82.1	Confident	77.6	Confident	55 Å²	55	92.4 Å²	92.4	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-61.5	-40	174.5	0	0	0	0	0	111.5	V89 S96 Y97	V89-A93 VanDerWaalsContact O-CB 3.27Å; V89-A93 WeakPolarHBondContact O-CB 3.47Å; V89-A93 PolarHBondContact O-N 2.83Å; A93-S96 PolarHBondContact O-N 3.44Å; A93-Y97 VanDerWaalsContact O-CB 3.27Å; A93-Y97 WeakPolarHBondContact O-CB 3.44Å; A93-Y97 PolarHBondContact O-N 3.34Å
94	W	82.6	Confident	76.3	Confident	156 Å²	156	91.7 Å²	91.7	59%	0.591	49%	0.487	S	S	*	.	H	α-helix	trans	-65.7	-42.7	175.4	-176.8	-100.2	0	0	0	112	L90 T91 E92 S96 Y97 M98	L90-W94 WeakPolarHBondContact O-CB 3.23Å; L90-W94 PolarHBondContact O-N 2.93Å; T91-W94 PolarHBondContact O-N 3.5Å; E92-W94 VanDerWaalsContact C-N 3.31Å; E92-W94 PolarHBondContact O-N 3.43Å; W94-S96 VanDerWaalsContact C-N 3.33Å; W94-S96 PolarHBondContact O-N 3.48Å; W94-Y97 HydrophobicContact CE3-CD1 4.37Å; W94-Y97 HydrophobicContact CZ3-CD1 4.31Å; W94-Y97 PolarHBondContact O-N 3.31Å; W94-M98 HydrophobicContact CD2-CG 4.35Å; W94-M98 HydrophobicContact CG-CG 4.44Å; W94-M98 HydrophobicContact CZ2-CG 4.29Å; W94-M98 HydrophobicContact CZ2-SD 4.06Å; W94-M98 WeakPolarHBondContact O-CB 3.44Å; W94-M98 VanDerWaalsContact O-CG 3.28Å; W94-M98 WeakPolarHBondContact O-CG 3.48Å; W94-M98 PolarHBondContact O-N 2.74Å
95	Q	79.4	Confident	75	Confident	139 Å²	139	99.2 Å²	99.2	65%	0.65	51%	0.508	S	S	*	.	H	α-helix	trans	-61.5	-43	175.8	-174.1	177.3	-68.8	0	0	111.2	T91 E92 M98 A99	T91-Q95 WeakPolarHBondContact O-CB 3.34Å; T91-Q95 PolarHBondContact O-N 3.13Å; E92-Q95 PolarHBondContact O-N 3.26Å; Q95-M98 PolarHBondContact O-N 2.85Å; Q95-A99 WeakPolarHBondContact O-CB 3.47Å; Q95-A99 PolarHBondContact O-N 3.21Å
96	S	77.9	Confident	73.8	Confident	74 Å²	74	102 Å²	102	52%	0.517	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-45.2	174.3	-172.3	0	0	0	0	111.8	E92 A93 W94 M98 A99 V100	E92-S96 WeakPolarHBondContact O-CB 3.28Å; E92-S96 PolarHBondContact O-N 3Å; A93-S96 PolarHBondContact O-N 3.44Å; W94-S96 VanDerWaalsContact C-N 3.33Å; W94-S96 PolarHBondContact O-N 3.48Å; S96-M98 PolarHBondContact O-N 2.83Å; S96-A99 WeakPolarHBondContact O-CB 3.35Å; S96-A99 PolarHBondContact O-N 2.77Å; S96-A99 VanDerWaalsContact O-N 3.15Å; S96-V100 WeakPolarHBondContact O-CG2 3.31Å; S96-V100 PolarHBondContact O-N 2.86Å
97	Y	81.1	Confident	72.5	Confident	136 Å²	136	105.4 Å²	105.4	53%	0.533	54%	0.536	S	S	.	.	H	α-helix	trans	-60.1	-42.8	176.2	179.3	-101.7	0	0	0	112.4	A93 W94 A99 V100 T101	A93-Y97 VanDerWaalsContact O-CB 3.27Å; A93-Y97 WeakPolarHBondContact O-CB 3.44Å; A93-Y97 PolarHBondContact O-N 3.34Å; W94-Y97 HydrophobicContact CE3-CD1 4.37Å; W94-Y97 HydrophobicContact CZ3-CD1 4.31Å; W94-Y97 PolarHBondContact O-N 3.31Å; Y97-A99 VanDerWaalsContact C-N 3.33Å; Y97-A99 PolarHBondContact O-N 3.39Å; Y97-V100 PolarHBondContact O-N 3.17Å; Y97-T101 HydrophobicContact CD1-CG2 4.44Å; Y97-T101 HydrophobicContact CD2-CG2 4.34Å; Y97-T101 HydrophobicContact CE1-CG2 3.98Å; Y97-T101 HydrophobicContact CE2-CG2 3.86Å; Y97-T101 WeakPolarHBondContact O-CB 3.25Å; Y97-T101 WeakPolarHBondContact O-CG2 3.39Å; Y97-T101 PolarHBondContact O-N 3.32Å; Y97-T101 PolarHBondContact O-OG1 2.93Å
98	M	74.8	Confident	71.1	Confident	44 Å²	44	108 Å²	108	22%	0.217	54%	0.544	C	S	.	.	H	α-helix	trans	-68.7	-30	176.4	-74.1	-67.2	-69.8	0	0	113	W94 Q95 S96 T101 G102 R103	W94-M98 HydrophobicContact CD2-CG 4.35Å; W94-M98 HydrophobicContact CG-CG 4.44Å; W94-M98 HydrophobicContact CZ2-CG 4.29Å; W94-M98 HydrophobicContact CZ2-SD 4.06Å; W94-M98 WeakPolarHBondContact O-CB 3.44Å; W94-M98 VanDerWaalsContact O-CG 3.28Å; W94-M98 WeakPolarHBondContact O-CG 3.48Å; W94-M98 PolarHBondContact O-N 2.74Å; Q95-M98 PolarHBondContact O-N 2.85Å; S96-M98 PolarHBondContact O-N 2.83Å; M98-T101 WeakPolarHBondContact CA-OG1 3.42Å; M98-G102 PolarHBondContact O-N 3.33Å; M98-R103 HydrophobicContact CE-CB 3.97Å
99	A	76.4	Confident	70	Confident	63 Å²	63	106.6 Å²	106.6	52%	0.521	55%	0.55	S	S	.	.	H	α-helix	trans	-69.4	-43.2	172.7	0	0	0	0	0	111.6	Q95 S96 Y97 G102	Q95-A99 WeakPolarHBondContact O-CB 3.47Å; Q95-A99 PolarHBondContact O-N 3.21Å; S96-A99 WeakPolarHBondContact O-CB 3.35Å; S96-A99 PolarHBondContact O-N 2.77Å; S96-A99 VanDerWaalsContact O-N 3.15Å; Y97-A99 VanDerWaalsContact C-N 3.33Å; Y97-A99 PolarHBondContact O-N 3.39Å; A99-G102 PolarHBondContact O-N 3.05Å
100	V	77.2	Confident	68.5	Low	119 Å²	119	113.9 Å²	113.9	72%	0.721	57%	0.569	S	S	*	*	H	α-helix	trans	-70	-41.1	178.5	173.3	0	0	0	0	112.2	S96 Y97 G102	S96-V100 WeakPolarHBondContact O-CG2 3.31Å; S96-V100 PolarHBondContact O-N 2.86Å; Y97-V100 PolarHBondContact O-N 3.17Å; V100-G102 PolarHBondContact O-N 2.9Å
101	T	79.3	Confident	66.6	Low	58 Å²	58	117.5 Å²	117.5	36%	0.356	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	2.9	178.8	52	0	0	0	0	113.8	Y97 M98 R103	Y97-T101 HydrophobicContact CD1-CG2 4.44Å; Y97-T101 HydrophobicContact CD2-CG2 4.34Å; Y97-T101 HydrophobicContact CE1-CG2 3.98Å; Y97-T101 HydrophobicContact CE2-CG2 3.86Å; Y97-T101 WeakPolarHBondContact O-CB 3.25Å; Y97-T101 WeakPolarHBondContact O-CG2 3.39Å; Y97-T101 PolarHBondContact O-N 3.32Å; Y97-T101 PolarHBondContact O-OG1 2.93Å; M98-T101 WeakPolarHBondContact CA-OG1 3.42Å; T101-R103 PolarHBondContact O-N 2.75Å
102	G	62.1	Low	64.9	Low	48 Å²	48	127.3 Å²	127.3	50%	0.495	61%	0.607	S	S	.	*	S	Bend	trans	66.8	-2.4	171.3	0	0	0	0	0	116.1	M98 A99 V100 L104 R105	M98-G102 PolarHBondContact O-N 3.33Å; A99-G102 PolarHBondContact O-N 3.05Å; V100-G102 PolarHBondContact O-N 2.9Å; G102-L104 PolarHBondContact O-N 3.36Å; G102-R105 PolarHBondContact O-N 3.27Å
103	R	57.3	Low	64.3	Low	180 Å²	180	129.6 Å²	129.6	68%	0.679	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-19	-177.9	-67.9	-155.3	-167.4	-158.4	7.8	113.3	M98 T101 R105 S106	M98-R103 HydrophobicContact CE-CB 3.97Å; T101-R103 PolarHBondContact O-N 2.75Å; R103-R105 VanDerWaalsContact C-N 3.31Å; R103-R105 PolarHBondContact O-N 3.43Å; R103-S106 PolarHBondContact O-N 3.24Å; R103-S106 PolarHBondContact O-OG 3.47Å
104	L	55.8	Low	63.4	Low	85 Å²	85	133.5 Å²	133.5	45%	0.445	63%	0.627	S	S	.	*	H	α-helix	trans	-65.6	-29.6	179.6	-159.6	70.4	0	0	0	113.1	G102 S106 L108	G102-L104 PolarHBondContact O-N 3.36Å; L104-S106 VanDerWaalsContact C-N 3.3Å; L104-S106 PolarHBondContact O-N 3.49Å; L104-L108 HydrophobicContact CG-CD1 4.37Å; L104-L108 PolarHBondContact O-N 3.4Å
105	R	53.2	Low	62.3	Low	206 Å²	206	132.2 Å²	132.2	78%	0.777	63%	0.629	S	S	*	*	H	α-helix	trans	-67.9	-31.3	178.3	-163.7	175.1	179.5	-172.7	-0.4	112.3	G102 R103 V109	G102-R105 PolarHBondContact O-N 3.27Å; R103-R105 VanDerWaalsContact C-N 3.31Å; R103-R105 PolarHBondContact O-N 3.43Å; R105-V109 HydrophobicContact CG-CG2 4.12Å; R105-V109 WeakPolarHBondContact O-CB 3.28Å; R105-V109 VanDerWaalsContact O-CG2 3.28Å; R105-V109 WeakPolarHBondContact O-CG2 3.47Å; R105-V109 PolarHBondContact O-N 3.14Å; R105-V109 VanDerWaalsContact O-N 3.14Å
106	S	50.1	Low	61.3	Low	79 Å²	79	131.8 Å²	131.8	55%	0.552	63%	0.628	S	S	*	*	H	α-helix	trans	-72.3	-32	-174.9	67.3	0	0	0	0	113.9	R103 L104	R103-S106 PolarHBondContact O-N 3.24Å; R103-S106 PolarHBondContact O-OG 3.47Å; L104-S106 VanDerWaalsContact C-N 3.3Å; L104-S106 PolarHBondContact O-N 3.49Å
107	R	52	Low	60.3	Low	212 Å²	212	135.4 Å²	135.4	80%	0.8	64%	0.635	S	S	*	*	H	α-helix	trans	-85.2	-27.9	177.2	-67.4	-160.3	-169	-125.7	6.8	113.8
108	L	54.7	Low	58.9	Low	126 Å²	126	135.4 Å²	135.4	66%	0.66	64%	0.641	S	S	*	*	H	α-helix	trans	-79.1	-27.9	175.4	-71.6	173	0	0	0	113	L104	L104-L108 HydrophobicContact CG-CD1 4.37Å; L104-L108 PolarHBondContact O-N 3.4Å
109	V	52.5	Low	57.8	Low	98 Å²	98	141.9 Å²	141.9	59%	0.594	67%	0.672	S	S	*	*	H	α-helix	trans	-76.2	-26.1	174.2	172.2	0	0	0	0	112.6	R105 K111	R105-V109 HydrophobicContact CG-CG2 4.12Å; R105-V109 WeakPolarHBondContact O-CB 3.28Å; R105-V109 VanDerWaalsContact O-CG2 3.28Å; R105-V109 WeakPolarHBondContact O-CG2 3.47Å; R105-V109 PolarHBondContact O-N 3.14Å; R105-V109 VanDerWaalsContact O-N 3.14Å; V109-K111 VanDerWaalsContact C-N 3.3Å; V109-K111 PolarHBondContact O-N 3.4Å
110	R	49.5	Very low	56.4	Low	228 Å²	228	148 Å²	148	86%	0.86	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-5.5	177.6	-170.2	157.6	-70.4	171.1	-0.2	114.2
111	K	44.2	Very low	54.6	Low	197 Å²	197	150.4 Å²	150.4	86%	0.857	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	11.3	179	-142.6	-178	-176.3	-173.5	0	113.1	V109	V109-K111 VanDerWaalsContact C-N 3.3Å; V109-K111 PolarHBondContact O-N 3.4Å
112	R	44.8	Very low	52.4	Low	288 Å²	288	158.8 Å²	158.8	100%	1.087	71%	0.71	S	S	*	*			trans	-112	0	165.7	-144.5	-158.4	-66.6	-166.7	-0.3	109.1

Retrieved 112 of 112 residues in 194 ms (Link to these results)

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