A0A087WS42_MOUSE Loading...

Adhesion G protein-coupled receptor B1

AlphaFold DB , UniProt , Accession A0A087WS42, Species MOUSE (Mus musculus, Mouse), Gene Adgrb1, Length 147 aa.

						>A0A087WS42_MOUSE|A0A087WS42|Adgrb1
MDKVTVPSVTLIVGCGVSSLTLLMLVIIYVSVWRYIRSERSVILINFCLSIISSNALILIGQTQTRNKVVCTLVAAFLHFFFLSSFCWVLTEAWQSYMAVTGRLRSRLVRKRFLCLGWGLPALVVAISVGFTKAKGYSTMNYCWLSL
					

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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	36.8	Very low	56.2	Low	226 Å²	226	127.9 Å²	127.9	100%	1.113	71%	0.712	S	S	*	*				0	65.4	0	-150.4	158.2	89.7	0	0	106
2	D	34.8	Very low	58	Low	151 Å²	151	124 Å²	124	81%	0.807	69%	0.687	S	S	*	*			trans	-123.9	90.4	-158.4	-53.9	-71.5	0	0	0	108.9
3	K	42.1	Very low	60	Low	211 Å²	211	121.1 Å²	121.1	92%	0.917	67%	0.674	S	S	*	*			trans	-124.6	35.9	174	-71.9	-167.5	176.7	179.2	0	111.3
4	V	54	Low	61.5	Low	122 Å²	122	114.8 Å²	114.8	74%	0.739	65%	0.651	S	S	*	*	S	Bend	trans	-120.1	0.2	-170.8	-175.6	0	0	0	0	114.4
5	T	51.4	Low	62.6	Low	128 Å²	128	107.9 Å²	107.9	79%	0.785	61%	0.612	S	S	*	*	S	Bend	trans	-138	35.2	-169.2	11.3	0	0	0	0	116
6	V	54.1	Low	63.8	Low	122 Å²	122	103.1 Å²	103.1	74%	0.739	59%	0.594	S	S	*	*			trans	-130.9	114	156.9	-73.9	0	0	0	0	108.8	S8	V6-S8 PolarHBondContact O-N 3.32Å
7	P	56.4	Low	65.1	Low	65 Å²	65	102.1 Å²	102.1	42%	0.422	59%	0.59	S	S	.	*			trans	-60	119.8	170.6	27.3	-32.4	0	0	0	106.5	V9 I12	P7-V9 PolarHBondContact O-N 3.44Å; P7-I12 HydrophobicContact CB-CD1 3.8Å; P7-I12 HydrophobicContact CB-CG1 4.35Å; P7-I12 HydrophobicContact CG-CD1 3.9Å
8	S	66.8	Low	66	Low	63 Å²	63	99.7 Å²	99.7	44%	0.441	58%	0.58	S	S	.	*			trans	-59	120.8	-176.6	-56.2	0	0	0	0	108.1	V6 T10 L11 I12	V6-S8 PolarHBondContact O-N 3.32Å; S8-T10 PolarHBondContact O-N 3.24Å; S8-L11 WeakPolarHBondContact O-CA 3.03Å; S8-L11 WeakPolarHBondContact O-CB 2.98Å; S8-L11 PolarHBondContact O-N 3.44Å; S8-I12 PolarHBondContact O-N 3.19Å
9	V	73.5	Confident	66.8	Low	106 Å²	106	95.7 Å²	95.7	64%	0.642	56%	0.558	S	S	*	*	H	α-helix	trans	-51.7	-36.2	-178.4	-177.5	0	0	0	0	110.4	P7 L11 I12 V13	P7-V9 PolarHBondContact O-N 3.44Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.46Å; V9-I12 PolarHBondContact O-N 3.5Å; V9-V13 HydrophobicContact CG1-CG2 4.09Å; V9-V13 WeakPolarHBondContact O-CB 3.06Å; V9-V13 VanDerWaalsContact O-CG2 3.23Å; V9-V13 WeakPolarHBondContact O-CG2 3.4Å; V9-V13 PolarHBondContact O-N 3.36Å
10	T	76.1	Confident	67.7	Low	121 Å²	121	96.3 Å²	96.3	74%	0.742	56%	0.558	S	S	*	*	H	α-helix	trans	-58.1	-38	173.7	-39.9	0	0	0	0	113.9	S8 G14	S8-T10 PolarHBondContact O-N 3.24Å; T10-G14 WeakPolarHBondContact O-CA 3.3Å; T10-G14 PolarHBondContact O-N 3.04Å
11	L	72.8	Confident	68.4	Low	92 Å²	92	95.5 Å²	95.5	48%	0.482	56%	0.555	S	S	.	*	H	α-helix	trans	-72.6	-41.1	177.1	-94.4	164	0	0	0	111.9	S8 V9 C15	S8-L11 WeakPolarHBondContact O-CA 3.03Å; S8-L11 WeakPolarHBondContact O-CB 2.98Å; S8-L11 PolarHBondContact O-N 3.44Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.46Å; L11-C15 VanDerWaalsContact O-CB 3.23Å; L11-C15 WeakPolarHBondContact O-CB 3.35Å; L11-C15 PolarHBondContact O-N 2.82Å; L11-C15 PolarHBondContact O-SG 3.07Å
12	I	77.9	Confident	70.4	Confident	81 Å²	81	86 Å²	86	42%	0.415	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-49.1	176.9	-65.6	166.6	0	0	0	109.8	P7 S8 V9 C15 G16	P7-I12 HydrophobicContact CB-CD1 3.8Å; P7-I12 HydrophobicContact CB-CG1 4.35Å; P7-I12 HydrophobicContact CG-CD1 3.9Å; S8-I12 PolarHBondContact O-N 3.19Å; V9-I12 PolarHBondContact O-N 3.5Å; I12-C15 PolarHBondContact O-N 3.18Å; I12-G16 PolarHBondContact O-N 3.12Å
13	V	83.1	Confident	72.6	Confident	86 Å²	86	82.8 Å²	82.8	52%	0.521	49%	0.491	S	S	.	.	H	α-helix	trans	-64.3	-44.8	179	175.6	0	0	0	0	110.3	V9 G16 V17	V9-V13 HydrophobicContact CG1-CG2 4.09Å; V9-V13 WeakPolarHBondContact O-CB 3.06Å; V9-V13 VanDerWaalsContact O-CG2 3.23Å; V9-V13 WeakPolarHBondContact O-CG2 3.4Å; V9-V13 PolarHBondContact O-N 3.36Å; V13-G16 PolarHBondContact O-N 2.84Å; V13-V17 HydrophobicContact CG1-CG2 4.32Å; V13-V17 WeakPolarHBondContact O-CB 3.47Å; V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.44Å; V13-V17 PolarHBondContact O-N 2.88Å
14	G	81.3	Confident	74.6	Confident	33 Å²	33	78.4 Å²	78.4	34%	0.34	48%	0.475	S	S	.	.	H	α-helix	trans	-59.9	-50.5	176.4	0	0	0	0	0	112.6	T10 G16 V17 S18	T10-G14 WeakPolarHBondContact O-CA 3.3Å; T10-G14 PolarHBondContact O-N 3.04Å; G14-G16 VanDerWaalsContact C-N 3.34Å; G14-G16 PolarHBondContact O-N 3.32Å; G14-V17 PolarHBondContact O-N 2.74Å; G14-S18 WeakPolarHBondContact O-CB 3.35Å; G14-S18 PolarHBondContact O-N 3.02Å; G14-S18 PolarHBondContact O-OG 2.91Å; G14-S18 VanDerWaalsContact O-OG 3.14Å
15	C	77.9	Confident	75.8	Confident	11 Å²	11	75.8 Å²	75.8	7%	0.074	46%	0.457	C	S	.	.	H	α-helix	trans	-63.1	-39.5	177.3	-71.6	0	0	0	0	112	L11 I12 S19 N55 L59	L11-C15 VanDerWaalsContact O-CB 3.23Å; L11-C15 WeakPolarHBondContact O-CB 3.35Å; L11-C15 PolarHBondContact O-N 2.82Å; L11-C15 PolarHBondContact O-SG 3.07Å; I12-C15 PolarHBondContact O-N 3.18Å; C15-S19 WeakPolarHBondContact O-CB 3.35Å; C15-S19 PolarHBondContact O-N 3.21Å; C15-S19 PolarHBondContact O-OG 3.47Å; C15-N55 HydrophobicContact CB-CB 4.32Å; C15-L59 HydrophobicContact CB-CD1 3.73Å
16	G	81.5	Confident	77	Confident	31 Å²	31	70.7 Å²	70.7	32%	0.32	43%	0.426	S	S	.	.	H	α-helix	trans	-63	-51	177.3	0	0	0	0	0	112	I12 V13 G14 S19 L20	I12-G16 PolarHBondContact O-N 3.12Å; V13-G16 PolarHBondContact O-N 2.84Å; G14-G16 VanDerWaalsContact C-N 3.34Å; G14-G16 PolarHBondContact O-N 3.32Å; G16-S19 PolarHBondContact O-N 2.97Å; G16-L20 WeakPolarHBondContact O-CB 3.36Å; G16-L20 PolarHBondContact O-N 2.87Å
17	V	85.9	Confident	78.3	Confident	86 Å²	86	69.6 Å²	69.6	52%	0.521	41%	0.414	S	S	.	.	H	α-helix	trans	-62	-47.6	177.9	171.9	0	0	0	0	110.9	V13 G14 S19 L20 T21	V13-V17 HydrophobicContact CG1-CG2 4.32Å; V13-V17 WeakPolarHBondContact O-CB 3.47Å; V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.44Å; V13-V17 PolarHBondContact O-N 2.88Å; G14-V17 PolarHBondContact O-N 2.74Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.07Å; V17-L20 PolarHBondContact O-N 3.02Å; V17-T21 PolarHBondContact O-N 3.25Å; V17-T21 PolarHBondContact O-OG1 3.44Å
18	S	80.9	Confident	79.5	Confident	59 Å²	59	71.4 Å²	71.4	41%	0.413	42%	0.419	S	S	.	.	H	α-helix	trans	-59.4	-43.9	176.8	-68.1	0	0	0	0	111.9	G14 T21 L22	G14-S18 WeakPolarHBondContact O-CB 3.35Å; G14-S18 PolarHBondContact O-N 3.02Å; G14-S18 PolarHBondContact O-OG 2.91Å; G14-S18 VanDerWaalsContact O-OG 3.14Å; S18-T21 PolarHBondContact O-N 3.04Å; S18-L22 WeakPolarHBondContact O-CB 3.46Å; S18-L22 WeakPolarHBondContact O-CD1 3.43Å; S18-L22 WeakPolarHBondContact O-CG 3.39Å; S18-L22 PolarHBondContact O-N 2.94Å
19	S	81.1	Confident	79.7	Confident	24 Å²	24	72.3 Å²	72.3	17%	0.168	41%	0.414	C	S	.	.	H	α-helix	trans	-66.5	-39.6	179.5	-56.2	0	0	0	0	112.2	C15 G16 V17 L22 L23 N55	C15-S19 WeakPolarHBondContact O-CB 3.35Å; C15-S19 PolarHBondContact O-N 3.21Å; C15-S19 PolarHBondContact O-OG 3.47Å; G16-S19 PolarHBondContact O-N 2.97Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.07Å; S19-L22 PolarHBondContact O-N 3.45Å; S19-L23 VanDerWaalsContact O-CB 3.28Å; S19-L23 WeakPolarHBondContact O-CB 3.41Å; S19-L23 WeakPolarHBondContact O-CG 3.47Å; S19-L23 PolarHBondContact O-N 3.43Å; S19-N55 WeakPolarHBondContact OG-CB 2.99Å; S19-N55 PolarHBondContact OG-ND2 3.27Å
20	L	84.8	Confident	79.6	Confident	108 Å²	108	70.8 Å²	70.8	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-63	-48.3	175.3	-91.6	156.6	0	0	0	112	G16 V17 L22 L23 M24	G16-L20 WeakPolarHBondContact O-CB 3.36Å; G16-L20 PolarHBondContact O-N 2.87Å; V17-L20 PolarHBondContact O-N 3.02Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L20-L22 PolarHBondContact O-N 2.81Å; L20-L23 PolarHBondContact O-N 2.78Å; L20-M24 PolarHBondContact O-N 3.27Å
21	T	82.9	Confident	79.6	Confident	79 Å²	79	68.9 Å²	68.9	49%	0.485	40%	0.396	S	S	.	.	H	α-helix	trans	-63	-41.7	179	-50.4	0	0	0	0	110.9	V17 S18 M24 L25	V17-T21 PolarHBondContact O-N 3.25Å; V17-T21 PolarHBondContact O-OG1 3.44Å; S18-T21 PolarHBondContact O-N 3.04Å; T21-M24 PolarHBondContact O-N 2.87Å; T21-L25 WeakPolarHBondContact O-CB 3.16Å; T21-L25 PolarHBondContact O-N 3.07Å
22	L	79.8	Confident	79.5	Confident	28 Å²	28	67.4 Å²	67.4	15%	0.147	39%	0.391	C	S	.	.	H	α-helix	trans	-67.7	-39.2	176.3	-70.9	165.4	0	0	0	112.6	S18 S19 L20 L25 V26 C48 I51 I52	S18-L22 WeakPolarHBondContact O-CB 3.46Å; S18-L22 WeakPolarHBondContact O-CD1 3.43Å; S18-L22 WeakPolarHBondContact O-CG 3.39Å; S18-L22 PolarHBondContact O-N 2.94Å; S19-L22 PolarHBondContact O-N 3.45Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L20-L22 PolarHBondContact O-N 2.81Å; L22-L25 WeakPolarHBondContact O-CB 3.41Å; L22-L25 PolarHBondContact O-N 3.36Å; L22-V26 WeakPolarHBondContact O-CG2 3.11Å; L22-V26 PolarHBondContact O-N 3.33Å; L22-C48 HydrophobicContact CD2-CB 4.41Å; L22-I51 HydrophobicContact CD1-CB 3.76Å; L22-I51 HydrophobicContact CD1-CG2 3.29Å; L22-I52 HydrophobicContact CB-CD1 4.21Å; L22-I52 HydrophobicContact CB-CG1 4.06Å
23	L	80.8	Confident	78.8	Confident	82 Å²	82	67.8 Å²	67.8	43%	0.429	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-46.8	173.9	-93.4	161.6	0	0	0	111.3	S19 L20 L25 V26 I27 I52	S19-L23 VanDerWaalsContact O-CB 3.28Å; S19-L23 WeakPolarHBondContact O-CB 3.41Å; S19-L23 WeakPolarHBondContact O-CG 3.47Å; S19-L23 PolarHBondContact O-N 3.43Å; L20-L23 PolarHBondContact O-N 2.78Å; L23-L25 VanDerWaalsContact C-N 3.28Å; L23-L25 PolarHBondContact O-N 2.81Å; L23-V26 PolarHBondContact O-N 2.85Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.45Å; L23-I27 PolarHBondContact O-N 2.92Å; L23-I52 HydrophobicContact CD2-CD1 4.31Å; L23-I52 HydrophobicContact CG-CD1 3.93Å
24	M	83.8	Confident	77.7	Confident	120 Å²	120	75.1 Å²	75.1	59%	0.591	41%	0.405	S	S	*	.	H	α-helix	trans	-58.9	-42.9	174.1	-83	-154.5	-98.6	0	0	111.4	L20 T21 V26 I27 I28	L20-M24 PolarHBondContact O-N 3.27Å; T21-M24 PolarHBondContact O-N 2.87Å; M24-V26 PolarHBondContact O-N 3.44Å; M24-I27 PolarHBondContact O-N 3.09Å; M24-I28 VanDerWaalsContact O-CG1 3.26Å; M24-I28 WeakPolarHBondContact O-CG1 3.29Å; M24-I28 PolarHBondContact O-N 3.36Å
25	L	79.8	Confident	76.5	Confident	67 Å²	67	83.8 Å²	83.8	35%	0.351	43%	0.429	S	S	.	.	H	α-helix	trans	-62.5	-42.6	178.1	-147.5	135.3	0	0	0	111.5	T21 L22 L23 I28 Y29 L44	T21-L25 WeakPolarHBondContact O-CB 3.16Å; T21-L25 PolarHBondContact O-N 3.07Å; L22-L25 WeakPolarHBondContact O-CB 3.41Å; L22-L25 PolarHBondContact O-N 3.36Å; L23-L25 VanDerWaalsContact C-N 3.28Å; L23-L25 PolarHBondContact O-N 2.81Å; L25-I28 PolarHBondContact O-N 3.31Å; L25-Y29 HydrophobicContact CD2-CD2 3.72Å; L25-Y29 HydrophobicContact CD2-CE2 3.74Å; L25-Y29 HydrophobicContact CG-CD2 4.41Å; L25-Y29 WeakPolarHBondContact O-CB 3.47Å; L25-Y29 WeakPolarHBondContact O-CD2 3.4Å; L25-Y29 PolarHBondContact O-N 2.77Å; L25-L44 HydrophobicContact CD2-CD2 3.89Å
26	V	76.6	Confident	75.3	Confident	21 Å²	21	87.9 Å²	87.9	13%	0.127	45%	0.449	C	S	.	.	H	α-helix	trans	-60.4	-46.8	173	171.2	0	0	0	0	111.2	L22 L23 M24 I28 Y29 V30 C48	L22-V26 WeakPolarHBondContact O-CG2 3.11Å; L22-V26 PolarHBondContact O-N 3.33Å; L23-V26 PolarHBondContact O-N 2.85Å; M24-V26 PolarHBondContact O-N 3.44Å; V26-I28 VanDerWaalsContact C-N 3.35Å; V26-I28 PolarHBondContact O-N 3.46Å; V26-Y29 PolarHBondContact O-N 2.69Å; V26-V30 HydrophobicContact CG1-CG2 4.09Å; V26-V30 WeakPolarHBondContact O-CB 3.22Å; V26-V30 VanDerWaalsContact O-CG2 3.26Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 2.86Å; V26-C48 HydrophobicContact CG2-CB 3.17Å
27	I	81.4	Confident	73.9	Confident	99 Å²	99	97.8 Å²	97.8	51%	0.508	48%	0.477	S	S	.	.	H	α-helix	trans	-62	-44.2	-179.1	-68.4	163.6	0	0	0	110.7	L23 M24 V30 S31	L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.45Å; L23-I27 PolarHBondContact O-N 2.92Å; M24-I27 PolarHBondContact O-N 3.09Å; I27-V30 PolarHBondContact O-N 3.31Å; I27-S31 WeakPolarHBondContact O-CB 3.46Å; I27-S31 PolarHBondContact O-N 3.39Å; I27-S31 PolarHBondContact O-OG 3.44Å
28	I	81.1	Confident	72.6	Confident	102 Å²	102	95.7 Å²	95.7	52%	0.523	47%	0.467	S	S	.	.	H	α-helix	trans	-60.6	-47.5	175.2	-67	164.4	0	0	0	109.7	M24 L25 V26 V30 S31 V32	M24-I28 VanDerWaalsContact O-CG1 3.26Å; M24-I28 WeakPolarHBondContact O-CG1 3.29Å; M24-I28 PolarHBondContact O-N 3.36Å; L25-I28 PolarHBondContact O-N 3.31Å; V26-I28 VanDerWaalsContact C-N 3.35Å; V26-I28 PolarHBondContact O-N 3.46Å; I28-V30 PolarHBondContact O-N 3.44Å; I28-S31 PolarHBondContact O-N 3.28Å; I28-V32 HydrophobicContact CG2-CG2 4.37Å; I28-V32 WeakPolarHBondContact O-CB 3.13Å; I28-V32 VanDerWaalsContact O-CG2 3.27Å; I28-V32 WeakPolarHBondContact O-CG2 3.44Å; I28-V32 PolarHBondContact O-N 2.99Å
29	Y	71	Confident	71.4	Confident	82 Å²	82	97.2 Å²	97.2	32%	0.322	47%	0.467	S	S	.	.	H	α-helix	trans	-63.4	-40.2	179.1	-97.8	-87.2	0	0	0	113.4	L25 V26 S31 V32 W33 L44	L25-Y29 HydrophobicContact CD2-CD2 3.72Å; L25-Y29 HydrophobicContact CD2-CE2 3.74Å; L25-Y29 HydrophobicContact CG-CD2 4.41Å; L25-Y29 WeakPolarHBondContact O-CB 3.47Å; L25-Y29 WeakPolarHBondContact O-CD2 3.4Å; L25-Y29 PolarHBondContact O-N 2.77Å; V26-Y29 PolarHBondContact O-N 2.69Å; Y29-S31 VanDerWaalsContact C-N 3.34Å; Y29-V32 PolarHBondContact O-N 3.49Å; Y29-W33 WeakPolarHBondContact O-CA 3.44Å; Y29-W33 VanDerWaalsContact O-CB 3.31Å; Y29-W33 WeakPolarHBondContact O-CB 3.47Å; Y29-W33 PolarHBondContact O-N 2.92Å; Y29-L44 HydrophobicContact CD1-CD2 4.35Å; Y29-L44 HydrophobicContact CD2-CD2 3.87Å; Y29-L44 HydrophobicContact CE1-CB 4.36Å; Y29-L44 HydrophobicContact CE1-CD2 3.78Å; Y29-L44 HydrophobicContact CE2-CD2 3.23Å; Y29-L44 HydrophobicContact CG-CD2 4.39Å; Y29-L44 WeakPolarHBondContact OH-CD2 3.31Å
30	V	70.3	Confident	70.4	Confident	75 Å²	75	100.8 Å²	100.8	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-67.1	-36	175	171.4	0	0	0	0	111.1	V26 I27 I28 W33 I45	V26-V30 HydrophobicContact CG1-CG2 4.09Å; V26-V30 WeakPolarHBondContact O-CB 3.22Å; V26-V30 VanDerWaalsContact O-CG2 3.26Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 2.86Å; I27-V30 PolarHBondContact O-N 3.31Å; I28-V30 PolarHBondContact O-N 3.44Å; V30-W33 WeakPolarHBondContact O-CB 3.44Å; V30-W33 PolarHBondContact O-N 3.48Å; V30-I45 HydrophobicContact CG2-CD1 3.56Å
31	S	76.3	Confident	69.2	Low	81 Å²	81	96 Å²	96	57%	0.566	45%	0.453	S	S	*	.	H	α-helix	trans	-68.5	-44.7	177.2	-57.4	0	0	0	0	111	I27 I28 Y29 W33	I27-S31 WeakPolarHBondContact O-CB 3.46Å; I27-S31 PolarHBondContact O-N 3.39Å; I27-S31 PolarHBondContact O-OG 3.44Å; I28-S31 PolarHBondContact O-N 3.28Å; Y29-S31 VanDerWaalsContact C-N 3.34Å; S31-W33 VanDerWaalsContact C-N 3.28Å; S31-W33 PolarHBondContact O-N 3.21Å
32	V	71.6	Confident	68.3	Low	61 Å²	61	94.4 Å²	94.4	37%	0.37	44%	0.443	S	S	.	.	H	α-helix	trans	-72.2	-22.4	176.2	177.6	0	0	0	0	111.8	I28 Y29 R34 Y35 I36	I28-V32 HydrophobicContact CG2-CG2 4.37Å; I28-V32 WeakPolarHBondContact O-CB 3.13Å; I28-V32 VanDerWaalsContact O-CG2 3.27Å; I28-V32 WeakPolarHBondContact O-CG2 3.44Å; I28-V32 PolarHBondContact O-N 2.99Å; Y29-V32 PolarHBondContact O-N 3.49Å; V32-R34 PolarHBondContact O-N 3.34Å; V32-Y35 WeakPolarHBondContact O-CA 3.25Å; V32-Y35 WeakPolarHBondContact O-CB 3.33Å; V32-Y35 PolarHBondContact O-N 2.88Å; V32-I36 HydrophobicContact CG1-CB 4.44Å; V32-I36 HydrophobicContact CG1-CD1 4.18Å; V32-I36 PolarHBondContact O-N 3.4Å
33	W	62.5	Low	67.6	Low	89 Å²	89	93.5 Å²	93.5	34%	0.337	44%	0.438	S	S	.	.	H	α-helix	trans	-55.2	-36.9	176.7	-172.1	-75.2	0	0	0	112.9	Y29 V30 S31 Y35 S41 V42 I45	Y29-W33 WeakPolarHBondContact O-CA 3.44Å; Y29-W33 VanDerWaalsContact O-CB 3.31Å; Y29-W33 WeakPolarHBondContact O-CB 3.47Å; Y29-W33 PolarHBondContact O-N 2.92Å; V30-W33 WeakPolarHBondContact O-CB 3.44Å; V30-W33 PolarHBondContact O-N 3.48Å; S31-W33 VanDerWaalsContact C-N 3.28Å; S31-W33 PolarHBondContact O-N 3.21Å; W33-Y35 PolarHBondContact O-N 2.84Å; W33-S41 VanDerWaalsContact CZ3-C 3.42Å; W33-V42 HydrophobicContact CH2-CB 3.72Å; W33-V42 HydrophobicContact CH2-CG1 4.13Å; W33-V42 HydrophobicContact CH2-CG2 3.13Å; W33-V42 HydrophobicContact CZ2-CG2 3.75Å; W33-V42 VanDerWaalsContact CZ3-CA 3.43Å; W33-V42 HydrophobicContact CZ3-CB 4.11Å; W33-V42 HydrophobicContact CZ3-CG2 3.8Å; W33-V42 VanDerWaalsContact CZ3-N 3.33Å; W33-I45 HydrophobicContact CE3-CD1 3.55Å; W33-I45 HydrophobicContact CZ3-CD1 3.48Å; W33-I45 VanDerWaalsContact CZ3-CD1 3.48Å; W33-I45 HydrophobicContact CZ3-CG1 4.37Å
34	R	59.5	Low	67	Low	239 Å²	239	91.6 Å²	91.6	90%	0.902	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.9	176.1	-88	-168.4	-170.5	172.9	4.7	112.6	V32	V32-R34 PolarHBondContact O-N 3.34Å
35	Y	56.7	Low	66.2	Low	215 Å²	215	87 Å²	87	84%	0.843	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-40.1	-173.1	-133.7	-93.7	0	0	0	112.6	V32 W33	V32-Y35 WeakPolarHBondContact O-CA 3.25Å; V32-Y35 WeakPolarHBondContact O-CB 3.33Å; V32-Y35 PolarHBondContact O-N 2.88Å; W33-Y35 PolarHBondContact O-N 2.84Å
36	I	53.3	Low	65.6	Low	97 Å²	97	86.2 Å²	86.2	50%	0.497	40%	0.402	S	S	.	.			trans	-122.3	92.4	-178.9	-65.2	164.3	0	0	0	107.3	V32 S38	V32-I36 HydrophobicContact CG1-CB 4.44Å; V32-I36 HydrophobicContact CG1-CD1 4.18Å; V32-I36 PolarHBondContact O-N 3.4Å; I36-S38 PolarHBondContact O-N 3.43Å
37	R	52.1	Low	65.2	Low	239 Å²	239	88.4 Å²	88.4	90%	0.902	41%	0.409	S	S	*	.			trans	-74.1	66.6	175	-163.9	170.9	-173	154.6	0.7	109.7
38	S	57.5	Low	64.7	Low	43 Å²	43	83.9 Å²	83.9	30%	0.301	39%	0.387	S	S	.	.			trans	-100	135.8	-179.4	-174	0	0	0	0	110.7	I36 R40 S41	I36-S38 PolarHBondContact O-N 3.43Å; S38-R40 PolarHBondContact O-N 3.46Å; S38-R40 VanDerWaalsContact O-N 3.13Å; S38-S41 PolarHBondContact O-N 3.29Å
39	E	56.7	Low	64	Low	90 Å²	90	83 Å²	83	42%	0.421	38%	0.383	S	S	.	.	H	α-helix	trans	-54.5	-31.7	176.9	-64.6	-179.7	118.5	0	0	111.3	S41 V42 I43 Q95 R110	E39-S41 VanDerWaalsContact C-N 3.33Å; E39-S41 PolarHBondContact O-N 2.89Å; E39-V42 WeakPolarHBondContact O-CB 3.34Å; E39-V42 PolarHBondContact O-N 3.11Å; E39-I43 WeakPolarHBondContact O-CG1 3.43Å; E39-Q95 PolarHBondContact OE2-NE2 3.33Å; E39-R110 WeakPolarHBondContact OE1-CD 3.46Å
40	R	59.2	Low	63.9	Low	99 Å²	99	79.3 Å²	79.3	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-59.8	-35.6	176.8	-60.3	-174.7	169.3	151.4	4.2	114.1	S38 V42 I43 L44 E92	S38-R40 PolarHBondContact O-N 3.46Å; S38-R40 VanDerWaalsContact O-N 3.13Å; R40-V42 VanDerWaalsContact C-N 3.3Å; R40-V42 PolarHBondContact O-N 3.4Å; R40-I43 WeakPolarHBondContact O-CB 3.45Å; R40-I43 PolarHBondContact O-N 2.92Å; R40-L44 PolarHBondContact O-N 3.22Å; R40-L44 VanDerWaalsContact O-N 3.15Å; R40-E92 WeakPolarHBondContact CD-OE1 3.35Å; R40-E92 HydrophobicContact CG-CG 4.18Å; R40-E92 WeakPolarHBondContact CG-OE1 3.16Å; R40-E92 IonicContact CZ-OE1 3.82Å; R40-E92 IonicContact NE-OE1 2.83Å; R40-E92 PolarHBondContact NE-OE1 2.87Å
41	S	60.8	Low	63.9	Low	8 Å²	8	78.2 Å²	78.2	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-67.9	-32.1	-179.2	-58.7	0	0	0	0	111.8	W33 S38 E39 I45	W33-S41 VanDerWaalsContact CZ3-C 3.42Å; S38-S41 PolarHBondContact O-N 3.29Å; E39-S41 VanDerWaalsContact C-N 3.33Å; E39-S41 PolarHBondContact O-N 2.89Å; S41-I45 WeakPolarHBondContact O-CG1 3.48Å; S41-I45 PolarHBondContact O-N 3.46Å; S41-I45 VanDerWaalsContact O-N 3.14Å
42	V	63.3	Low	63.8	Low	46 Å²	46	76 Å²	76	28%	0.279	34%	0.341	S	S	.	.	H	α-helix	trans	-64.2	-43.9	176.3	-174.4	0	0	0	0	110.2	W33 E39 R40 N46	W33-V42 HydrophobicContact CH2-CB 3.72Å; W33-V42 HydrophobicContact CH2-CG1 4.13Å; W33-V42 HydrophobicContact CH2-CG2 3.13Å; W33-V42 HydrophobicContact CZ2-CG2 3.75Å; W33-V42 VanDerWaalsContact CZ3-CA 3.43Å; W33-V42 HydrophobicContact CZ3-CB 4.11Å; W33-V42 HydrophobicContact CZ3-CG2 3.8Å; W33-V42 VanDerWaalsContact CZ3-N 3.33Å; E39-V42 WeakPolarHBondContact O-CB 3.34Å; E39-V42 PolarHBondContact O-N 3.11Å; R40-V42 VanDerWaalsContact C-N 3.3Å; R40-V42 PolarHBondContact O-N 3.4Å; V42-N46 PolarHBondContact O-N 2.8Å; V42-N46 PolarHBondContact O-ND2 3.2Å
43	I	66	Low	63.6	Low	8 Å²	8	75 Å²	75	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-48	-179.2	-54.5	-169.7	0	0	0	109.9	E39 R40 I45 N46 F47 W88 E92	E39-I43 WeakPolarHBondContact O-CG1 3.43Å; R40-I43 WeakPolarHBondContact O-CB 3.45Å; R40-I43 PolarHBondContact O-N 2.92Å; I43-I45 PolarHBondContact O-N 2.87Å; I43-N46 PolarHBondContact O-N 2.78Å; I43-F47 PolarHBondContact O-N 3Å; I43-W88 HydrophobicContact CB-CD2 4.44Å; I43-W88 HydrophobicContact CB-CE3 3.97Å; I43-W88 HydrophobicContact CD1-CE3 3.57Å; I43-W88 HydrophobicContact CD1-CZ3 3.81Å; I43-W88 HydrophobicContact CG1-CD2 4.25Å; I43-W88 HydrophobicContact CG1-CE3 3.34Å; I43-W88 HydrophobicContact CG1-CZ3 3.51Å; I43-W88 HydrophobicContact CG2-CB 3.48Å; I43-W88 VanDerWaalsContact CG2-CB 3.48Å; I43-W88 HydrophobicContact CG2-CD2 3.99Å; I43-W88 HydrophobicContact CG2-CE3 3.73Å; I43-W88 HydrophobicContact CG2-CG 3.94Å; I43-E92 HydrophobicContact CD1-CB 4.44Å; I43-E92 HydrophobicContact CD1-CG 3.78Å; I43-E92 HydrophobicContact CG2-CG 4.38Å
44	L	66.5	Low	63.8	Low	43 Å²	43	71.4 Å²	71.4	23%	0.225	33%	0.325	C	S	.	.	H	α-helix	trans	-68.9	-34.5	-176.2	-136.1	83.1	0	0	0	113.5	L25 Y29 R40 F47 C48	L25-L44 HydrophobicContact CD2-CD2 3.89Å; Y29-L44 HydrophobicContact CD1-CD2 4.35Å; Y29-L44 HydrophobicContact CD2-CD2 3.87Å; Y29-L44 HydrophobicContact CE1-CB 4.36Å; Y29-L44 HydrophobicContact CE1-CD2 3.78Å; Y29-L44 HydrophobicContact CE2-CD2 3.23Å; Y29-L44 HydrophobicContact CG-CD2 4.39Å; Y29-L44 WeakPolarHBondContact OH-CD2 3.31Å; R40-L44 PolarHBondContact O-N 3.22Å; R40-L44 VanDerWaalsContact O-N 3.15Å; L44-F47 WeakPolarHBondContact O-CB 3.17Å; L44-F47 PolarHBondContact O-N 3.29Å; L44-C48 PolarHBondContact O-N 3.14Å; L44-C48 PolarHBondContact O-SG 3.31Å; L44-C48 VanDerWaalsContact O-SG 3.38Å
45	I	67.4	Low	64.3	Low	24 Å²	24	60.9 Å²	60.9	12%	0.123	29%	0.287	C	S	.	.	H	α-helix	trans	-66.3	-44	174.3	-71.3	-179.4	0	0	0	110.8	V30 W33 S41 I43 F47 C48 L49	V30-I45 HydrophobicContact CG2-CD1 3.56Å; W33-I45 HydrophobicContact CE3-CD1 3.55Å; W33-I45 HydrophobicContact CZ3-CD1 3.48Å; W33-I45 VanDerWaalsContact CZ3-CD1 3.48Å; W33-I45 HydrophobicContact CZ3-CG1 4.37Å; S41-I45 WeakPolarHBondContact O-CG1 3.48Å; S41-I45 PolarHBondContact O-N 3.46Å; S41-I45 VanDerWaalsContact O-N 3.14Å; I43-I45 PolarHBondContact O-N 2.87Å; I45-F47 VanDerWaalsContact C-N 3.3Å; I45-F47 PolarHBondContact O-N 3.41Å; I45-C48 PolarHBondContact O-N 3.15Å; I45-L49 HydrophobicContact CG2-CD1 3.91Å; I45-L49 WeakPolarHBondContact O-CB 3.47Å; I45-L49 WeakPolarHBondContact O-CG 3.31Å; I45-L49 PolarHBondContact O-N 3.48Å
46	N	66.8	Low	64.9	Low	49 Å²	49	52.9 Å²	52.9	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-37.4	176.8	-76.9	-67.1	0	0	0	111.8	V42 I43 S50	V42-N46 PolarHBondContact O-N 2.8Å; V42-N46 PolarHBondContact O-ND2 3.2Å; I43-N46 PolarHBondContact O-N 2.78Å; N46-S50 WeakPolarHBondContact O-CB 3.5Å; N46-S50 PolarHBondContact O-N 3.13Å
47	F	68.3	Low	65.5	Low	67 Å²	67	49.9 Å²	49.9	29%	0.294	25%	0.25	S	S	.	.	H	α-helix	trans	-62.1	-47.8	172.8	176.7	-101.8	0	0	0	112.7	I43 L44 I45 S50 I51 S85	I43-F47 PolarHBondContact O-N 3Å; L44-F47 WeakPolarHBondContact O-CB 3.17Å; L44-F47 PolarHBondContact O-N 3.29Å; I45-F47 VanDerWaalsContact C-N 3.3Å; I45-F47 PolarHBondContact O-N 3.41Å; F47-S50 VanDerWaalsContact O-CB 3.28Å; F47-S50 WeakPolarHBondContact O-CB 3.48Å; F47-S50 PolarHBondContact O-N 3.31Å; F47-I51 HydrophobicContact CE1-CD1 3.76Å; F47-I51 HydrophobicContact CE2-CD1 3.92Å; F47-I51 HydrophobicContact CE2-CG1 4.46Å; F47-I51 HydrophobicContact CZ-CD1 3.39Å; F47-I51 HydrophobicContact CZ-CG1 4.31Å; F47-I51 PolarHBondContact O-N 3.45Å; F47-I51 VanDerWaalsContact O-N 3.13Å; F47-S85 WeakPolarHBondContact CD2-OG 3.4Å
48	C	70.9	Confident	66.2	Low	4 Å²	4	41.4 Å²	41.4	3%	0.027	22%	0.222	C	C	.	.	H	α-helix	trans	-65.9	-41.2	179.4	-71.2	0	0	0	0	112.1	L22 V26 L44 I45 S50 I51 I52	L22-C48 HydrophobicContact CD2-CB 4.41Å; V26-C48 HydrophobicContact CG2-CB 3.17Å; L44-C48 PolarHBondContact O-N 3.14Å; L44-C48 PolarHBondContact O-SG 3.31Å; L44-C48 VanDerWaalsContact O-SG 3.38Å; I45-C48 PolarHBondContact O-N 3.15Å; C48-S50 VanDerWaalsContact C-N 3.28Å; C48-S50 PolarHBondContact O-N 3.46Å; C48-I51 PolarHBondContact O-N 3.06Å; C48-I52 WeakPolarHBondContact O-CB 3.44Å; C48-I52 WeakPolarHBondContact O-CD1 3.28Å; C48-I52 VanDerWaalsContact O-CG1 3.26Å; C48-I52 WeakPolarHBondContact O-CG1 3.49Å; C48-I52 PolarHBondContact O-N 3.16Å
49	L	67.7	Low	66.6	Low	84 Å²	84	43.2 Å²	43.2	44%	0.44	23%	0.228	S	C	.	.	H	α-helix	trans	-60.1	-39.7	175.1	-82.4	166.6	0	0	0	112.1	I45 S53	I45-L49 HydrophobicContact CG2-CD1 3.91Å; I45-L49 WeakPolarHBondContact O-CB 3.47Å; I45-L49 WeakPolarHBondContact O-CG 3.31Å; I45-L49 PolarHBondContact O-N 3.48Å; L49-S53 VanDerWaalsContact O-CB 3.29Å; L49-S53 WeakPolarHBondContact O-CB 3.34Å; L49-S53 PolarHBondContact O-N 3.24Å; L49-S53 PolarHBondContact O-OG 2.78Å
50	S	69.3	Low	67	Low	4 Å²	4	42.6 Å²	42.6	3%	0.028	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-44.9	175.2	161	0	0	0	0	112.6	N46 F47 C48 S54 F81 S85	N46-S50 WeakPolarHBondContact O-CB 3.5Å; N46-S50 PolarHBondContact O-N 3.13Å; F47-S50 VanDerWaalsContact O-CB 3.28Å; F47-S50 WeakPolarHBondContact O-CB 3.48Å; F47-S50 PolarHBondContact O-N 3.31Å; C48-S50 VanDerWaalsContact C-N 3.28Å; C48-S50 PolarHBondContact O-N 3.46Å; S50-S54 PolarHBondContact O-N 2.71Å; S50-S54 PolarHBondContact O-OG 2.83Å; S50-F81 VanDerWaalsContact CA-CD1 3.48Å; S50-F81 WeakPolarHBondContact OG-CB 3.24Å; S50-F81 WeakPolarHBondContact OG-CD1 3.27Å; S50-F81 PolarHBondContact OG-O 2.91Å; S50-S85 PolarHBondContact OG-OG 3.13Å
51	I	70.4	Confident	67.2	Low	52 Å²	52	38.5 Å²	38.5	27%	0.267	22%	0.215	S	C	.	.	H	α-helix	trans	-74.6	-40	178	-62.4	-166.6	0	0	0	112.2	L22 F47 C48 S53 S54 N55	L22-I51 HydrophobicContact CD1-CB 3.76Å; L22-I51 HydrophobicContact CD1-CG2 3.29Å; F47-I51 HydrophobicContact CE1-CD1 3.76Å; F47-I51 HydrophobicContact CE2-CD1 3.92Å; F47-I51 HydrophobicContact CE2-CG1 4.46Å; F47-I51 HydrophobicContact CZ-CD1 3.39Å; F47-I51 HydrophobicContact CZ-CG1 4.31Å; F47-I51 PolarHBondContact O-N 3.45Å; F47-I51 VanDerWaalsContact O-N 3.13Å; C48-I51 PolarHBondContact O-N 3.06Å; I51-S53 VanDerWaalsContact C-N 3.26Å; I51-S53 PolarHBondContact O-N 3.49Å; I51-S54 WeakPolarHBondContact O-CB 3.47Å; I51-S54 PolarHBondContact O-N 3.17Å; I51-S54 VanDerWaalsContact O-N 3.16Å; I51-N55 PolarHBondContact O-N 3.36Å
52	I	73.3	Confident	67	Low	35 Å²	35	43 Å²	43	18%	0.179	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-43.1	173.8	-69.7	163.4	0	0	0	110.1	L22 L23 C48 N55 A56	L22-I52 HydrophobicContact CB-CD1 4.21Å; L22-I52 HydrophobicContact CB-CG1 4.06Å; L23-I52 HydrophobicContact CD2-CD1 4.31Å; L23-I52 HydrophobicContact CG-CD1 3.93Å; C48-I52 WeakPolarHBondContact O-CB 3.44Å; C48-I52 WeakPolarHBondContact O-CD1 3.28Å; C48-I52 VanDerWaalsContact O-CG1 3.26Å; C48-I52 WeakPolarHBondContact O-CG1 3.49Å; C48-I52 PolarHBondContact O-N 3.16Å; I52-N55 PolarHBondContact O-N 2.79Å; I52-A56 WeakPolarHBondContact O-CB 3.32Å; I52-A56 PolarHBondContact O-N 2.97Å
53	S	68.2	Low	66.8	Low	40 Å²	40	46.1 Å²	46.1	28%	0.28	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-44.3	176.4	-58.2	0	0	0	0	111.1	L49 I51 N55 A56 L57	L49-S53 VanDerWaalsContact O-CB 3.29Å; L49-S53 WeakPolarHBondContact O-CB 3.34Å; L49-S53 PolarHBondContact O-N 3.24Å; L49-S53 PolarHBondContact O-OG 2.78Å; I51-S53 VanDerWaalsContact C-N 3.26Å; I51-S53 PolarHBondContact O-N 3.49Å; S53-N55 PolarHBondContact O-N 2.91Å; S53-A56 PolarHBondContact O-N 2.67Å; S53-L57 WeakPolarHBondContact O-CB 3.37Å; S53-L57 WeakPolarHBondContact O-CG 2.96Å; S53-L57 PolarHBondContact O-N 3.27Å
54	S	65.4	Low	66.1	Low	13 Å²	13	49.9 Å²	49.9	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-44.5	175.5	-60.9	0	0	0	0	112.6	S50 I51 L57 I58 L78	S50-S54 PolarHBondContact O-N 2.71Å; S50-S54 PolarHBondContact O-OG 2.83Å; I51-S54 WeakPolarHBondContact O-CB 3.47Å; I51-S54 PolarHBondContact O-N 3.17Å; I51-S54 VanDerWaalsContact O-N 3.16Å; S54-L57 PolarHBondContact O-N 3.29Å; S54-I58 VanDerWaalsContact O-CG1 3.29Å; S54-I58 WeakPolarHBondContact O-CG1 3.18Å; S54-I58 PolarHBondContact O-N 2.92Å; S54-L78 WeakPolarHBondContact OG-CD2 2.99Å
55	N	70.6	Confident	65.5	Low	19 Å²	19	52.3 Å²	52.3	10%	0.102	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-41.5	177.3	-71.4	-18.1	0	0	0	112.1	C15 S19 I51 I52 S53 L57 I58 L59	C15-N55 HydrophobicContact CB-CB 4.32Å; S19-N55 WeakPolarHBondContact OG-CB 2.99Å; S19-N55 PolarHBondContact OG-ND2 3.27Å; I51-N55 PolarHBondContact O-N 3.36Å; I52-N55 PolarHBondContact O-N 2.79Å; S53-N55 PolarHBondContact O-N 2.91Å; N55-L57 VanDerWaalsContact C-N 3.34Å; N55-I58 PolarHBondContact O-N 2.91Å; N55-L59 WeakPolarHBondContact O-CD1 3.35Å; N55-L59 PolarHBondContact O-N 3.49Å; N55-L59 VanDerWaalsContact O-N 3.08Å
56	A	68.4	Low	64.7	Low	47 Å²	47	62 Å²	62	39%	0.388	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-42.5	175.1	0	0	0	0	0	111.4	I52 S53 I58 L59 I60	I52-A56 WeakPolarHBondContact O-CB 3.32Å; I52-A56 PolarHBondContact O-N 2.97Å; S53-A56 PolarHBondContact O-N 2.67Å; A56-I58 PolarHBondContact O-N 3.39Å; A56-L59 PolarHBondContact O-N 2.94Å; A56-I60 WeakPolarHBondContact O-CD1 3.38Å; A56-I60 WeakPolarHBondContact O-CG1 3.29Å; A56-I60 PolarHBondContact O-N 3.32Å
57	L	66.9	Low	64.1	Low	33 Å²	33	63.5 Å²	63.5	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-37.5	177.6	-73.7	171.6	0	0	0	112.4	S53 S54 N55 I60 G61 V74 F77	S53-L57 WeakPolarHBondContact O-CB 3.37Å; S53-L57 WeakPolarHBondContact O-CG 2.96Å; S53-L57 PolarHBondContact O-N 3.27Å; S54-L57 PolarHBondContact O-N 3.29Å; N55-L57 VanDerWaalsContact C-N 3.34Å; L57-I60 PolarHBondContact O-N 3.4Å; L57-G61 PolarHBondContact O-N 3.06Å; L57-V74 HydrophobicContact CB-CB 4.18Å; L57-V74 HydrophobicContact CB-CG1 3.67Å; L57-V74 HydrophobicContact CB-CG2 3.85Å; L57-V74 HydrophobicContact CD2-CB 4.26Å; L57-V74 HydrophobicContact CD2-CG2 3.47Å; L57-V74 VanDerWaalsContact CD2-CG2 3.47Å; L57-V74 HydrophobicContact CG-CG2 4.16Å; L57-F77 HydrophobicContact CD1-CB 3.9Å
58	I	67.2	Low	63.3	Low	61 Å²	61	62.5 Å²	62.5	31%	0.313	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-43.6	173.3	-69.6	163.3	0	0	0	110.9	S54 N55 A56 G61 Q62 L78	S54-I58 VanDerWaalsContact O-CG1 3.29Å; S54-I58 WeakPolarHBondContact O-CG1 3.18Å; S54-I58 PolarHBondContact O-N 2.92Å; N55-I58 PolarHBondContact O-N 2.91Å; A56-I58 PolarHBondContact O-N 3.39Å; I58-G61 PolarHBondContact O-N 2.87Å; I58-Q62 WeakPolarHBondContact O-CG 3.47Å; I58-Q62 PolarHBondContact O-N 2.95Å; I58-L78 HydrophobicContact CG1-CD1 4.43Å
59	L	66.1	Low	62.5	Low	82 Å²	82	66.3 Å²	66.3	43%	0.429	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-41.8	175	-102.9	92.5	0	0	0	112.4	C15 N55 A56 Q62 T63	C15-L59 HydrophobicContact CB-CD1 3.73Å; N55-L59 WeakPolarHBondContact O-CD1 3.35Å; N55-L59 PolarHBondContact O-N 3.49Å; N55-L59 VanDerWaalsContact O-N 3.08Å; A56-L59 PolarHBondContact O-N 2.94Å; L59-Q62 PolarHBondContact O-N 3.43Å; L59-T63 PolarHBondContact O-N 3.49Å; L59-T63 VanDerWaalsContact O-N 3.17Å; L59-T63 PolarHBondContact O-OG1 3.2Å
60	I	64.7	Low	61.8	Low	77 Å²	77	64.6 Å²	64.6	40%	0.395	34%	0.344	S	S	.	.	H	α-helix	trans	-67.2	-40.1	178.1	-66.6	162.9	0	0	0	110.6	A56 L57 Q62 T63 Q64 V70	A56-I60 WeakPolarHBondContact O-CD1 3.38Å; A56-I60 WeakPolarHBondContact O-CG1 3.29Å; A56-I60 PolarHBondContact O-N 3.32Å; L57-I60 PolarHBondContact O-N 3.4Å; I60-Q62 VanDerWaalsContact C-N 3.28Å; I60-Q62 PolarHBondContact O-N 3.2Å; I60-T63 WeakPolarHBondContact CA-OG1 3.46Å; I60-T63 PolarHBondContact O-N 2.89Å; I60-T63 PolarHBondContact O-OG1 2.9Å; I60-T63 VanDerWaalsContact O-OG1 3.13Å; I60-Q64 PolarHBondContact O-N 2.79Å; I60-V70 HydrophobicContact CG2-CG1 3.99Å
61	G	62.1	Low	61.2	Low	13 Å²	13	65 Å²	65	13%	0.134	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-32.6	176.4	0	0	0	0	0	113.5	L57 I58 T65	L57-G61 PolarHBondContact O-N 3.06Å; I58-G61 PolarHBondContact O-N 2.87Å; G61-T65 WeakPolarHBondContact O-CG2 3.26Å
62	Q	58.2	Low	60.4	Low	101 Å²	101	63.7 Å²	63.7	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-73.7	-37.6	174.4	-71.1	-70.9	-59.5	0	0	112.8	I58 L59 I60	I58-Q62 WeakPolarHBondContact O-CG 3.47Å; I58-Q62 PolarHBondContact O-N 2.95Å; L59-Q62 PolarHBondContact O-N 3.43Å; I60-Q62 VanDerWaalsContact C-N 3.28Å; I60-Q62 PolarHBondContact O-N 3.2Å
63	T	59.2	Low	59.6	Low	113 Å²	113	64.9 Å²	64.9	69%	0.693	35%	0.347	S	S	*	.	H	α-helix	trans	-82.4	-24.3	-178.5	43.2	0	0	0	0	113.3	L59 I60	L59-T63 PolarHBondContact O-N 3.49Å; L59-T63 VanDerWaalsContact O-N 3.17Å; L59-T63 PolarHBondContact O-OG1 3.2Å; I60-T63 WeakPolarHBondContact CA-OG1 3.46Å; I60-T63 PolarHBondContact O-N 2.89Å; I60-T63 PolarHBondContact O-OG1 2.9Å; I60-T63 VanDerWaalsContact O-OG1 3.13Å
64	Q	50.4	Low	59.2	Low	86 Å²	86	63.7 Å²	63.7	40%	0.402	34%	0.338	S	S	.	.			trans	-126	59.1	179.3	-91.3	-74	51.8	0	0	112.8	I60 R66 N67	I60-Q64 PolarHBondContact O-N 2.79Å; Q64-R66 PolarHBondContact O-N 3.46Å; Q64-R66 VanDerWaalsContact O-N 3.08Å; Q64-N67 PolarHBondContact O-N 3.2Å
65	T	53.3	Low	58.9	Low	95 Å²	95	64.4 Å²	64.4	58%	0.583	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-8	171.2	49	0	0	0	0	113.8	G61	G61-T65 WeakPolarHBondContact O-CG2 3.26Å
66	R	51.5	Low	58.4	Low	226 Å²	226	65 Å²	65	85%	0.853	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-21.1	-176.2	-139.2	173.8	178.6	-175.6	-1.4	113.9	Q64	Q64-R66 PolarHBondContact O-N 3.46Å; Q64-R66 VanDerWaalsContact O-N 3.08Å
67	N	53.2	Low	58.1	Low	82 Å²	82	65.7 Å²	65.7	44%	0.439	35%	0.347	S	S	.	.			trans	-109	93.7	-176.8	-91.5	-28.5	0	0	0	111.9	Q64 V69 V70 C71	Q64-N67 PolarHBondContact O-N 3.2Å; N67-V69 PolarHBondContact O-N 2.98Å; N67-V69 VanDerWaalsContact O-N 3.11Å; N67-V70 HydrophobicContact CB-CB 4.28Å; N67-V70 HydrophobicContact CB-CG2 3.88Å; N67-V70 PolarHBondContact O-N 3.44Å; N67-C71 PolarHBondContact O-N 2.92Å
68	K	53.2	Low	57.9	Low	46 Å²	46	66.6 Å²	66.6	20%	0.2	35%	0.352	C	S	.	.	H	α-helix	trans	-52.8	-33.4	177.4	-60.4	-179.3	-165.4	164.5	0	113.7	C71 T72 S138 T139 M140	K68-C71 WeakPolarHBondContact O-CB 3.44Å; K68-C71 PolarHBondContact O-N 3.41Å; K68-T72 PolarHBondContact O-N 3.29Å; K68-T72 PolarHBondContact O-OG1 3.02Å; K68-S138 PolarHBondContact NZ-OG 3.05Å; K68-S138 VanDerWaalsContact NZ-OG 3.1Å; K68-T139 WeakPolarHBondContact CD-O 3.46Å; K68-T139 WeakPolarHBondContact CE-O 3.44Å; K68-T139 VanDerWaalsContact NZ-C 3.29Å; K68-T139 PolarHBondContact NZ-O 3.26Å; K68-M140 VanDerWaalsContact NZ-CA 3.28Å; K68-M140 PolarHBondContact NZ-SD 3.3Å
69	V	52.3	Low	57.8	Low	84 Å²	84	69.8 Å²	69.8	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-43.6	178.6	-179.5	0	0	0	0	111.6	N67 C71 T72 L73	N67-V69 PolarHBondContact O-N 2.98Å; N67-V69 VanDerWaalsContact O-N 3.11Å; V69-C71 VanDerWaalsContact C-N 3.27Å; V69-C71 PolarHBondContact O-N 3.43Å; V69-T72 PolarHBondContact O-N 2.84Å; V69-L73 HydrophobicContact CG1-CD1 3.9Å; V69-L73 WeakPolarHBondContact O-CB 3.27Å; V69-L73 WeakPolarHBondContact O-CD1 3.21Å; V69-L73 WeakPolarHBondContact O-CG 3.45Å; V69-L73 PolarHBondContact O-N 3.42Å
70	V	52.8	Low	57.6	Low	47 Å²	47	67 Å²	67	29%	0.285	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-37.9	179.2	176.5	0	0	0	0	110	I60 N67 L73 V74	I60-V70 HydrophobicContact CG2-CG1 3.99Å; N67-V70 HydrophobicContact CB-CB 4.28Å; N67-V70 HydrophobicContact CB-CG2 3.88Å; N67-V70 PolarHBondContact O-N 3.44Å; V70-L73 PolarHBondContact O-N 3.18Å; V70-V74 HydrophobicContact CG1-CG2 4.28Å; V70-V74 WeakPolarHBondContact O-CB 3.34Å; V70-V74 WeakPolarHBondContact O-CG2 3.5Å; V70-V74 PolarHBondContact O-N 2.95Å
71	C	56.8	Low	57.5	Low	13 Å²	13	65.5 Å²	65.5	9%	0.088	34%	0.34	C	S	.	.	H	α-helix	trans	-68.8	-44.2	179.9	-157.3	0	0	0	0	114.6	N67 K68 V69 L73 V74 A75 C143	N67-C71 PolarHBondContact O-N 2.92Å; K68-C71 WeakPolarHBondContact O-CB 3.44Å; K68-C71 PolarHBondContact O-N 3.41Å; V69-C71 VanDerWaalsContact C-N 3.27Å; V69-C71 PolarHBondContact O-N 3.43Å; C71-L73 VanDerWaalsContact C-N 3.3Å; C71-L73 PolarHBondContact O-N 2.97Å; C71-V74 WeakPolarHBondContact O-CB 3.41Å; C71-V74 PolarHBondContact O-N 3.38Å; C71-A75 PolarHBondContact O-N 3.42Å; C71-C143 HydrophobicContact CB-CB 4.01Å; C71-C143 WeakPolarHBondContact CB-SG 3.32Å; C71-C143 WeakPolarHBondContact SG-CA 3.23Å; C71-C143 WeakPolarHBondContact SG-CB 3.46Å; C71-C143 PolarHBondContact SG-O 3.29Å; C71-C143 CovalentContact SG-SG 1.98Å; C71-C143 PolarHBondContact SG-SG 3.38Å
72	T	53.5	Low	57.5	Low	25 Å²	25	72.2 Å²	72.2	15%	0.153	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-42.4	173.9	-63.5	0	0	0	0	110.9	K68 V69 A75 A76 Y137	K68-T72 PolarHBondContact O-N 3.29Å; K68-T72 PolarHBondContact O-OG1 3.02Å; V69-T72 PolarHBondContact O-N 2.84Å; T72-A75 PolarHBondContact O-N 2.89Å; T72-A76 WeakPolarHBondContact O-CB 3.49Å; T72-A76 PolarHBondContact O-N 3.26Å; T72-Y137 HydrophobicContact CG2-CD1 3.62Å; T72-Y137 HydrophobicContact CG2-CD2 4.06Å; T72-Y137 HydrophobicContact CG2-CE1 3.19Å; T72-Y137 HydrophobicContact CG2-CE2 3.67Å; T72-Y137 HydrophobicContact CG2-CG 4.02Å; T72-Y137 WeakPolarHBondContact OG1-CD1 3.42Å; T72-Y137 VanDerWaalsContact OG1-CE1 3.29Å; T72-Y137 WeakPolarHBondContact OG1-CE1 3.37Å
73	L	57.8	Low	57.9	Low	60 Å²	60	71.4 Å²	71.4	31%	0.314	36%	0.364	S	S	.	.	H	α-helix	trans	-58.5	-50.8	174.3	-79	160.3	0	0	0	110.3	V69 V70 C71 A75 A76 F77	V69-L73 HydrophobicContact CG1-CD1 3.9Å; V69-L73 WeakPolarHBondContact O-CB 3.27Å; V69-L73 WeakPolarHBondContact O-CD1 3.21Å; V69-L73 WeakPolarHBondContact O-CG 3.45Å; V69-L73 PolarHBondContact O-N 3.42Å; V70-L73 PolarHBondContact O-N 3.18Å; C71-L73 VanDerWaalsContact C-N 3.3Å; C71-L73 PolarHBondContact O-N 2.97Å; L73-A75 VanDerWaalsContact C-N 3.33Å; L73-A75 PolarHBondContact O-N 2.68Å; L73-A76 PolarHBondContact O-N 3.21Å; L73-F77 HydrophobicContact CB-CD2 4.25Å; L73-F77 HydrophobicContact CB-CE2 4.36Å; L73-F77 HydrophobicContact CD2-CD2 4.41Å; L73-F77 HydrophobicContact CD2-CE2 3.8Å; L73-F77 WeakPolarHBondContact O-CB 3.1Å; L73-F77 WeakPolarHBondContact O-CD2 3.06Å; L73-F77 PolarHBondContact O-N 3.32Å
74	V	59.3	Low	58.2	Low	14 Å²	14	67 Å²	67	9%	0.085	34%	0.338	C	S	.	.	H	α-helix	trans	-51.9	-50.5	177	162.9	0	0	0	0	111.3	L57 V70 C71 F77 L78	L57-V74 HydrophobicContact CB-CB 4.18Å; L57-V74 HydrophobicContact CB-CG1 3.67Å; L57-V74 HydrophobicContact CB-CG2 3.85Å; L57-V74 HydrophobicContact CD2-CB 4.26Å; L57-V74 HydrophobicContact CD2-CG2 3.47Å; L57-V74 VanDerWaalsContact CD2-CG2 3.47Å; L57-V74 HydrophobicContact CG-CG2 4.16Å; V70-V74 HydrophobicContact CG1-CG2 4.28Å; V70-V74 WeakPolarHBondContact O-CB 3.34Å; V70-V74 WeakPolarHBondContact O-CG2 3.5Å; V70-V74 PolarHBondContact O-N 2.95Å; C71-V74 WeakPolarHBondContact O-CB 3.41Å; C71-V74 PolarHBondContact O-N 3.38Å; V74-F77 PolarHBondContact O-N 3.41Å; V74-L78 HydrophobicContact CG1-CD1 4.36Å; V74-L78 WeakPolarHBondContact O-CB 3.36Å; V74-L78 PolarHBondContact O-N 2.79Å
75	A	59.4	Low	59	Low	29 Å²	29	63.4 Å²	63.4	24%	0.24	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-42.5	-178.7	0	0	0	0	0	112.7	C71 T72 L73 L78 H79 L145	C71-A75 PolarHBondContact O-N 3.42Å; T72-A75 PolarHBondContact O-N 2.89Å; L73-A75 VanDerWaalsContact C-N 3.33Å; L73-A75 PolarHBondContact O-N 2.68Å; A75-L78 PolarHBondContact O-N 2.97Å; A75-H79 PolarHBondContact O-N 3.35Å; A75-H79 VanDerWaalsContact O-N 3.07Å; A75-L145 HydrophobicContact CB-CD1 4.33Å
76	A	59.8	Low	59.6	Low	30 Å²	30	65.5 Å²	65.5	25%	0.248	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-43.6	176.8	0	0	0	0	0	111.7	T72 L73 H79 F80	T72-A76 WeakPolarHBondContact O-CB 3.49Å; T72-A76 PolarHBondContact O-N 3.26Å; L73-A76 PolarHBondContact O-N 3.21Å; A76-H79 PolarHBondContact O-N 3.06Å; A76-F80 VanDerWaalsContact O-CB 3.24Å; A76-F80 WeakPolarHBondContact O-CB 3.47Å; A76-F80 PolarHBondContact O-N 3.44Å
77	F	62.6	Low	60.5	Low	62 Å²	62	57.1 Å²	57.1	27%	0.272	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-39.2	175.2	-83.5	-68.9	0	0	0	111.9	L57 L73 V74 F80 F81 V125	L57-F77 HydrophobicContact CD1-CB 3.9Å; L73-F77 HydrophobicContact CB-CD2 4.25Å; L73-F77 HydrophobicContact CB-CE2 4.36Å; L73-F77 HydrophobicContact CD2-CD2 4.41Å; L73-F77 HydrophobicContact CD2-CE2 3.8Å; L73-F77 WeakPolarHBondContact O-CB 3.1Å; L73-F77 WeakPolarHBondContact O-CD2 3.06Å; L73-F77 PolarHBondContact O-N 3.32Å; V74-F77 PolarHBondContact O-N 3.41Å; F77-F80 WeakPolarHBondContact O-CB 3.36Å; F77-F80 PolarHBondContact O-N 3.37Å; F77-F81 HydrophobicContact CB-CD2 4.3Å; F77-F81 HydrophobicContact CB-CE2 4.38Å; F77-F81 HydrophobicContact CD1-CE2 4.23Å; F77-F81 VanDerWaalsContact O-CB 3.25Å; F77-F81 WeakPolarHBondContact O-CB 3.38Å; F77-F81 WeakPolarHBondContact O-CD2 3.14Å; F77-F81 WeakPolarHBondContact O-CG 3.38Å; F77-F81 PolarHBondContact O-N 2.71Å; F77-V125 HydrophobicContact CE1-CG2 4.26Å
78	L	63.4	Low	61.2	Low	53 Å²	53	54.1 Å²	54.1	28%	0.277	28%	0.282	S	S	.	.	H	α-helix	trans	-60.9	-49.7	176.1	-117.2	159.6	0	0	0	111.7	S54 I58 V74 A75 F80 F81 F82	S54-L78 WeakPolarHBondContact OG-CD2 2.99Å; I58-L78 HydrophobicContact CG1-CD1 4.43Å; V74-L78 HydrophobicContact CG1-CD1 4.36Å; V74-L78 WeakPolarHBondContact O-CB 3.36Å; V74-L78 PolarHBondContact O-N 2.79Å; A75-L78 PolarHBondContact O-N 2.97Å; L78-F80 VanDerWaalsContact C-N 3.28Å; L78-F80 PolarHBondContact O-N 2.97Å; L78-F81 PolarHBondContact O-N 3.23Å; L78-F82 WeakPolarHBondContact O-CB 3.28Å; L78-F82 PolarHBondContact O-N 3.26Å
79	H	64	Low	62	Low	128 Å²	128	55.9 Å²	55.9	59%	0.593	30%	0.296	S	S	*	.	H	α-helix	trans	-59.2	-44.7	179.4	-161.2	151	0	0	0	110.8	A75 A76 F82 L83	A75-H79 PolarHBondContact O-N 3.35Å; A75-H79 VanDerWaalsContact O-N 3.07Å; A76-H79 PolarHBondContact O-N 3.06Å; H79-F82 PolarHBondContact O-N 3.07Å; H79-L83 VanDerWaalsContact CD2-CD1 3.46Å; H79-L83 WeakPolarHBondContact CD2-CD1 3.4Å; H79-L83 PolarHBondContact O-N 3.33Å
80	F	62.6	Low	62.9	Low	23 Å²	23	56.8 Å²	56.8	10%	0.101	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-48.3	176.4	169.8	-101.6	0	0	0	113.9	A76 F77 L78 F82 L83 S84 P121 V124 V125	A76-F80 VanDerWaalsContact O-CB 3.24Å; A76-F80 WeakPolarHBondContact O-CB 3.47Å; A76-F80 PolarHBondContact O-N 3.44Å; F77-F80 WeakPolarHBondContact O-CB 3.36Å; F77-F80 PolarHBondContact O-N 3.37Å; L78-F80 VanDerWaalsContact C-N 3.28Å; L78-F80 PolarHBondContact O-N 2.97Å; F80-F82 VanDerWaalsContact C-N 3.27Å; F80-F82 PolarHBondContact O-N 2.98Å; F80-L83 PolarHBondContact O-N 3.41Å; F80-S84 WeakPolarHBondContact O-CB 3.42Å; F80-S84 PolarHBondContact O-N 3.23Å; F80-P121 HydrophobicContact CE1-CB 4.29Å; F80-P121 VanDerWaalsContact CE2-C 3.45Å; F80-P121 HydrophobicContact CE2-CB 3.93Å; F80-P121 HydrophobicContact CE2-CG 4.36Å; F80-P121 WeakPolarHBondContact CE2-O 3.17Å; F80-P121 HydrophobicContact CZ-CB 3.38Å; F80-P121 HydrophobicContact CZ-CG 4.09Å; F80-P121 WeakPolarHBondContact CZ-O 3.34Å; F80-V124 HydrophobicContact CB-CG1 4.11Å; F80-V124 HydrophobicContact CD2-CB 3.32Å; F80-V124 HydrophobicContact CD2-CG1 3.5Å; F80-V124 HydrophobicContact CD2-CG2 3.7Å; F80-V124 HydrophobicContact CE2-CB 3.43Å; F80-V124 VanDerWaalsContact CE2-CB 3.43Å; F80-V124 HydrophobicContact CE2-CG1 4.07Å; F80-V124 HydrophobicContact CE2-CG2 3.93Å; F80-V124 HydrophobicContact CG-CB 4.37Å; F80-V124 HydrophobicContact CG-CG1 4.15Å; F80-V125 HydrophobicContact CZ-CG2 4.09Å
81	F	61.7	Low	63.6	Low	45 Å²	45	55.6 Å²	55.6	20%	0.197	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-36	179.8	-90.9	-51.5	0	0	0	111.4	S50 F77 L78 S85	S50-F81 VanDerWaalsContact CA-CD1 3.48Å; S50-F81 WeakPolarHBondContact OG-CB 3.24Å; S50-F81 WeakPolarHBondContact OG-CD1 3.27Å; S50-F81 PolarHBondContact OG-O 2.91Å; F77-F81 HydrophobicContact CB-CD2 4.3Å; F77-F81 HydrophobicContact CB-CE2 4.38Å; F77-F81 HydrophobicContact CD1-CE2 4.23Å; F77-F81 VanDerWaalsContact O-CB 3.25Å; F77-F81 WeakPolarHBondContact O-CB 3.38Å; F77-F81 WeakPolarHBondContact O-CD2 3.14Å; F77-F81 WeakPolarHBondContact O-CG 3.38Å; F77-F81 PolarHBondContact O-N 2.71Å; L78-F81 PolarHBondContact O-N 3.23Å; F81-S85 VanDerWaalsContact O-CB 3.27Å; F81-S85 WeakPolarHBondContact O-CB 3.25Å; F81-S85 PolarHBondContact O-N 3.46Å; F81-S85 PolarHBondContact O-OG 3.47Å
82	F	63.2	Low	64.2	Low	154 Å²	154	57.3 Å²	57.3	68%	0.675	30%	0.297	S	S	*	.	H	α-helix	trans	-68.3	-45.3	174.8	-143.9	-92.7	0	0	0	112.6	L78 H79 F80 S85 F86	L78-F82 WeakPolarHBondContact O-CB 3.28Å; L78-F82 PolarHBondContact O-N 3.26Å; H79-F82 PolarHBondContact O-N 3.07Å; F80-F82 VanDerWaalsContact C-N 3.27Å; F80-F82 PolarHBondContact O-N 2.98Å; F82-S85 WeakPolarHBondContact O-CB 3.42Å; F82-S85 PolarHBondContact O-N 2.99Å; F82-F86 PolarHBondContact O-N 2.85Å
83	L	66.1	Low	65.2	Low	84 Å²	84	58.9 Å²	58.9	44%	0.44	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-44.3	176.6	-117.5	102.2	0	0	0	111.6	H79 F80 S85 F86 C87 L120	H79-L83 VanDerWaalsContact CD2-CD1 3.46Å; H79-L83 WeakPolarHBondContact CD2-CD1 3.4Å; H79-L83 PolarHBondContact O-N 3.33Å; F80-L83 PolarHBondContact O-N 3.41Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 3.44Å; L83-F86 PolarHBondContact O-N 2.91Å; L83-C87 PolarHBondContact O-N 3.41Å; L83-L120 HydrophobicContact CD2-CD2 4.3Å
84	S	66.4	Low	65.9	Low	22 Å²	22	61.5 Å²	61.5	15%	0.154	32%	0.318	C	S	.	.	H	α-helix	trans	-59.4	-47.1	176.5	-176.3	0	0	0	0	110.7	F80 F86 C87 W88	F80-S84 WeakPolarHBondContact O-CB 3.42Å; F80-S84 PolarHBondContact O-N 3.23Å; S84-F86 VanDerWaalsContact C-N 3.34Å; S84-F86 PolarHBondContact O-N 3.16Å; S84-C87 PolarHBondContact O-N 3.3Å; S84-W88 WeakPolarHBondContact O-CB 3.5Å; S84-W88 PolarHBondContact O-N 3.46Å
85	S	67.2	Low	66.3	Low	9 Å²	9	63.8 Å²	63.8	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-57.1	-44.6	176	-63.9	0	0	0	0	112.4	F47 S50 F81 F82 L83 W88 V89	F47-S85 WeakPolarHBondContact CD2-OG 3.4Å; S50-S85 PolarHBondContact OG-OG 3.13Å; F81-S85 VanDerWaalsContact O-CB 3.27Å; F81-S85 WeakPolarHBondContact O-CB 3.25Å; F81-S85 PolarHBondContact O-N 3.46Å; F81-S85 PolarHBondContact O-OG 3.47Å; F82-S85 WeakPolarHBondContact O-CB 3.42Å; F82-S85 PolarHBondContact O-N 2.99Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 3.44Å; S85-W88 PolarHBondContact O-N 2.9Å; S85-V89 WeakPolarHBondContact O-CG2 3.48Å; S85-V89 PolarHBondContact O-N 2.9Å
86	F	65.6	Low	66.9	Low	139 Å²	139	65 Å²	65	61%	0.61	34%	0.335	S	S	*	.	H	α-helix	trans	-65.7	-44.2	178.7	-163.8	-94.8	0	0	0	112.2	F82 L83 S84 W88 V89 L90	F82-F86 PolarHBondContact O-N 2.85Å; L83-F86 PolarHBondContact O-N 2.91Å; S84-F86 VanDerWaalsContact C-N 3.34Å; S84-F86 PolarHBondContact O-N 3.16Å; F86-W88 VanDerWaalsContact C-N 3.28Å; F86-W88 PolarHBondContact O-N 3.38Å; F86-V89 PolarHBondContact O-N 2.7Å; F86-L90 VanDerWaalsContact O-CB 3.29Å; F86-L90 WeakPolarHBondContact O-CB 3.25Å; F86-L90 PolarHBondContact O-N 2.89Å
87	C	69.8	Low	67.7	Low	51 Å²	51	70.1 Å²	70.1	35%	0.345	35%	0.349	S	S	.	.	H	α-helix	trans	-60.1	-39.8	174.5	-76.6	0	0	0	0	112.1	L83 S84 T91	L83-C87 PolarHBondContact O-N 3.41Å; S84-C87 PolarHBondContact O-N 3.3Å; C87-T91 WeakPolarHBondContact O-CB 3.34Å; C87-T91 PolarHBondContact O-N 3.27Å; C87-T91 PolarHBondContact O-OG1 3.5Å
88	W	68.1	Low	67.9	Low	18 Å²	18	69.4 Å²	69.4	7%	0.068	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-45.4	179	-90.9	123.4	0	0	0	112.6	I43 S84 S85 F86 T91 E92 L114 G117 W118	I43-W88 HydrophobicContact CB-CD2 4.44Å; I43-W88 HydrophobicContact CB-CE3 3.97Å; I43-W88 HydrophobicContact CD1-CE3 3.57Å; I43-W88 HydrophobicContact CD1-CZ3 3.81Å; I43-W88 HydrophobicContact CG1-CD2 4.25Å; I43-W88 HydrophobicContact CG1-CE3 3.34Å; I43-W88 HydrophobicContact CG1-CZ3 3.51Å; I43-W88 HydrophobicContact CG2-CB 3.48Å; I43-W88 VanDerWaalsContact CG2-CB 3.48Å; I43-W88 HydrophobicContact CG2-CD2 3.99Å; I43-W88 HydrophobicContact CG2-CE3 3.73Å; I43-W88 HydrophobicContact CG2-CG 3.94Å; S84-W88 WeakPolarHBondContact O-CB 3.5Å; S84-W88 PolarHBondContact O-N 3.46Å; S85-W88 PolarHBondContact O-N 2.9Å; F86-W88 VanDerWaalsContact C-N 3.28Å; F86-W88 PolarHBondContact O-N 3.38Å; W88-T91 WeakPolarHBondContact O-CB 3.26Å; W88-T91 PolarHBondContact O-N 3.06Å; W88-E92 PolarHBondContact O-N 2.97Å; W88-L114 HydrophobicContact CH2-CD1 4.28Å; W88-G117 PolarHBondContact NE1-O 2.96Å; W88-W118 AromaticContact CZ2-NE1 4Å
89	V	70	Confident	68.3	Low	83 Å²	83	70 Å²	70	50%	0.503	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-41.1	173.8	172.1	0	0	0	0	111.6	S85 F86 T91 E92 A93	S85-V89 WeakPolarHBondContact O-CG2 3.48Å; S85-V89 PolarHBondContact O-N 2.9Å; F86-V89 PolarHBondContact O-N 2.7Å; V89-T91 VanDerWaalsContact C-N 3.27Å; V89-T91 PolarHBondContact O-N 3.49Å; V89-E92 WeakPolarHBondContact O-CB 3.38Å; V89-E92 PolarHBondContact O-N 3.29Å; V89-A93 WeakPolarHBondContact O-CB 3.34Å; V89-A93 PolarHBondContact O-N 3.27Å
90	L	70.5	Confident	68.9	Low	104 Å²	104	69.9 Å²	69.9	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-36.6	176.8	-167.5	73.1	0	0	0	111.6	F86 A93 W94	F86-L90 VanDerWaalsContact O-CB 3.29Å; F86-L90 WeakPolarHBondContact O-CB 3.25Å; F86-L90 PolarHBondContact O-N 2.89Å; L90-A93 PolarHBondContact O-N 3.11Å; L90-W94 VanDerWaalsContact O-CB 3.25Å; L90-W94 WeakPolarHBondContact O-CB 3.48Å; L90-W94 PolarHBondContact O-N 3.28Å
91	T	67.6	Low	69.7	Low	22 Å²	22	71.4 Å²	71.4	14%	0.135	38%	0.379	C	S	.	.	H	α-helix	trans	-66	-41.7	175.2	-54.4	0	0	0	0	111.3	C87 W88 V89 W94 Q95 F113	C87-T91 WeakPolarHBondContact O-CB 3.34Å; C87-T91 PolarHBondContact O-N 3.27Å; C87-T91 PolarHBondContact O-OG1 3.5Å; W88-T91 WeakPolarHBondContact O-CB 3.26Å; W88-T91 PolarHBondContact O-N 3.06Å; V89-T91 VanDerWaalsContact C-N 3.27Å; V89-T91 PolarHBondContact O-N 3.49Å; T91-W94 PolarHBondContact O-N 3.42Å; T91-Q95 WeakPolarHBondContact O-CB 3.47Å; T91-Q95 PolarHBondContact O-N 3.04Å; T91-F113 HydrophobicContact CG2-CB 4.07Å; T91-F113 HydrophobicContact CG2-CD1 3.67Å; T91-F113 HydrophobicContact CG2-CE1 4.26Å; T91-F113 HydrophobicContact CG2-CG 3.92Å; T91-F113 WeakPolarHBondContact OG1-CD1 3.29Å; T91-F113 WeakPolarHBondContact OG1-CE1 3.1Å
92	E	69.8	Low	70	Confident	49 Å²	49	72.1 Å²	72.1	23%	0.229	40%	0.399	C	S	.	.	H	α-helix	trans	-61.9	-48.4	174.5	-117.1	-109.8	88	0	0	111.7	R40 I43 W88 V89 W94 Q95 S96	R40-E92 WeakPolarHBondContact CD-OE1 3.35Å; R40-E92 HydrophobicContact CG-CG 4.18Å; R40-E92 WeakPolarHBondContact CG-OE1 3.16Å; R40-E92 IonicContact CZ-OE1 3.82Å; R40-E92 IonicContact NE-OE1 2.83Å; R40-E92 PolarHBondContact NE-OE1 2.87Å; I43-E92 HydrophobicContact CD1-CB 4.44Å; I43-E92 HydrophobicContact CD1-CG 3.78Å; I43-E92 HydrophobicContact CG2-CG 4.38Å; W88-E92 PolarHBondContact O-N 2.97Å; V89-E92 WeakPolarHBondContact O-CB 3.38Å; V89-E92 PolarHBondContact O-N 3.29Å; E92-W94 VanDerWaalsContact C-N 3.33Å; E92-W94 PolarHBondContact O-N 3.41Å; E92-Q95 PolarHBondContact O-N 3.35Å; E92-S96 PolarHBondContact O-N 2.88Å
93	A	74.8	Confident	70	Confident	57 Å²	57	74.3 Å²	74.3	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-60.5	-43	176.7	0	0	0	0	0	111.5	V89 L90 S96 Y97	V89-A93 WeakPolarHBondContact O-CB 3.34Å; V89-A93 PolarHBondContact O-N 3.27Å; L90-A93 PolarHBondContact O-N 3.11Å; A93-S96 PolarHBondContact O-N 3.13Å; A93-Y97 WeakPolarHBondContact O-CB 3.29Å; A93-Y97 PolarHBondContact O-N 3.04Å
94	W	72.6	Confident	69.6	Low	115 Å²	115	76.2 Å²	76.2	44%	0.436	41%	0.413	S	S	.	.	H	α-helix	trans	-65.4	-40.2	176	-172.7	-99.7	0	0	0	112.5	L90 T91 E92 Y97 M98	L90-W94 VanDerWaalsContact O-CB 3.25Å; L90-W94 WeakPolarHBondContact O-CB 3.48Å; L90-W94 PolarHBondContact O-N 3.28Å; T91-W94 PolarHBondContact O-N 3.42Å; E92-W94 VanDerWaalsContact C-N 3.33Å; E92-W94 PolarHBondContact O-N 3.41Å; W94-Y97 PolarHBondContact O-N 2.87Å; W94-M98 VanDerWaalsContact CE2-CE 3.47Å; W94-M98 HydrophobicContact CH2-CE 4.1Å; W94-M98 HydrophobicContact CZ2-CE 3.2Å; W94-M98 WeakPolarHBondContact O-CB 3.33Å; W94-M98 WeakPolarHBondContact O-CG 3.43Å; W94-M98 PolarHBondContact O-N 3.25Å
95	Q	68	Low	69.1	Low	62 Å²	62	84.7 Å²	84.7	29%	0.29	44%	0.441	S	S	.	.	H	α-helix	trans	-65.2	-40.7	177	-167.6	175.7	48.3	0	0	111.2	E39 T91 E92 M98 A99	E39-Q95 PolarHBondContact OE2-NE2 3.33Å; T91-Q95 WeakPolarHBondContact O-CB 3.47Å; T91-Q95 PolarHBondContact O-N 3.04Å; E92-Q95 PolarHBondContact O-N 3.35Å; Q95-M98 PolarHBondContact O-N 3.38Å; Q95-A99 WeakPolarHBondContact O-CB 3.26Å; Q95-A99 PolarHBondContact O-N 3.22Å
96	S	70.6	Confident	68.6	Low	54 Å²	54	87 Å²	87	38%	0.378	46%	0.457	S	S	.	.	H	α-helix	trans	-64	-44.4	173.4	-159.3	0	0	0	0	111.7	E92 A93 M98 A99 V100	E92-S96 PolarHBondContact O-N 2.88Å; A93-S96 PolarHBondContact O-N 3.13Å; S96-M98 PolarHBondContact O-N 3.43Å; S96-A99 WeakPolarHBondContact O-CB 3.43Å; S96-A99 PolarHBondContact O-N 2.84Å; S96-V100 WeakPolarHBondContact O-CG2 3.42Å; S96-V100 PolarHBondContact O-N 3.3Å; S96-V100 VanDerWaalsContact O-N 3.11Å
97	Y	76.6	Confident	68.2	Low	139 Å²	139	89.4 Å²	89.4	55%	0.545	46%	0.462	S	S	.	.	H	α-helix	trans	-61.9	-41.9	176.1	-178.8	-100.2	0	0	0	112.8	A93 W94 A99 V100 T101	A93-Y97 WeakPolarHBondContact O-CB 3.29Å; A93-Y97 PolarHBondContact O-N 3.04Å; W94-Y97 PolarHBondContact O-N 2.87Å; Y97-A99 VanDerWaalsContact C-N 3.35Å; Y97-V100 PolarHBondContact O-N 3.5Å; Y97-T101 HydrophobicContact CD1-CG2 4.48Å; Y97-T101 HydrophobicContact CE1-CG2 4.04Å; Y97-T101 HydrophobicContact CE2-CG2 4.26Å; Y97-T101 WeakPolarHBondContact O-CG2 3.03Å; Y97-T101 PolarHBondContact O-N 2.98Å; Y97-T101 PolarHBondContact O-OG1 2.94Å
98	M	68.6	Low	67.7	Low	46 Å²	46	92.3 Å²	92.3	23%	0.227	47%	0.474	C	S	.	.	H	α-helix	trans	-67.7	-32.9	175.5	-78.1	-76.3	175.2	0	0	112.8	W94 Q95 S96 T101 G102 R103	W94-M98 VanDerWaalsContact CE2-CE 3.47Å; W94-M98 HydrophobicContact CH2-CE 4.1Å; W94-M98 HydrophobicContact CZ2-CE 3.2Å; W94-M98 WeakPolarHBondContact O-CB 3.33Å; W94-M98 WeakPolarHBondContact O-CG 3.43Å; W94-M98 PolarHBondContact O-N 3.25Å; Q95-M98 PolarHBondContact O-N 3.38Å; S96-M98 PolarHBondContact O-N 3.43Å; M98-T101 WeakPolarHBondContact CA-OG1 3.45Å; M98-T101 PolarHBondContact O-N 2.97Å; M98-T101 PolarHBondContact O-OG1 3.37Å; M98-G102 PolarHBondContact O-N 3.01Å; M98-G102 VanDerWaalsContact O-N 3.07Å; M98-R103 HydrophobicContact SD-CB 4.02Å
99	A	70.6	Confident	67.3	Low	67 Å²	67	94.5 Å²	94.5	55%	0.554	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-39.3	173.7	0	0	0	0	0	111.7	Q95 S96 Y97	Q95-A99 WeakPolarHBondContact O-CB 3.26Å; Q95-A99 PolarHBondContact O-N 3.22Å; S96-A99 WeakPolarHBondContact O-CB 3.43Å; S96-A99 PolarHBondContact O-N 2.84Å; Y97-A99 VanDerWaalsContact C-N 3.35Å
100	V	77.4	Confident	66.8	Low	124 Å²	124	96.4 Å²	96.4	75%	0.752	49%	0.488	S	S	*	.	H	α-helix	trans	-70.4	-37.2	176.2	175.8	0	0	0	0	112	S96 Y97	S96-V100 WeakPolarHBondContact O-CG2 3.42Å; S96-V100 PolarHBondContact O-N 3.3Å; S96-V100 VanDerWaalsContact O-N 3.11Å; Y97-V100 PolarHBondContact O-N 3.5Å
101	T	79.4	Confident	66.3	Low	55 Å²	55	99.4 Å²	99.4	34%	0.337	50%	0.496	S	S	.	.	H	α-helix	trans	-87.4	-3.9	-176.7	52.7	0	0	0	0	114.5	Y97 M98 R103	Y97-T101 HydrophobicContact CD1-CG2 4.48Å; Y97-T101 HydrophobicContact CE1-CG2 4.04Å; Y97-T101 HydrophobicContact CE2-CG2 4.26Å; Y97-T101 WeakPolarHBondContact O-CG2 3.03Å; Y97-T101 PolarHBondContact O-N 2.98Å; Y97-T101 PolarHBondContact O-OG1 2.94Å; M98-T101 WeakPolarHBondContact CA-OG1 3.45Å; M98-T101 PolarHBondContact O-N 2.97Å; M98-T101 PolarHBondContact O-OG1 3.37Å; T101-R103 PolarHBondContact O-N 3.45Å; T101-R103 VanDerWaalsContact O-N 3.12Å
102	G	67.1	Low	66.1	Low	61 Å²	61	107 Å²	107	63%	0.629	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	3.5	174.1	0	0	0	0	0	116.1	M98 L104	M98-G102 PolarHBondContact O-N 3.01Å; M98-G102 VanDerWaalsContact O-N 3.07Å; G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 3.46Å; G102-L104 VanDerWaalsContact O-N 3.07Å
103	R	63	Low	65.6	Low	200 Å²	200	107.8 Å²	107.8	76%	0.755	53%	0.525	S	S	*	.			trans	-86.5	52.2	-177.5	-74.9	-174.9	174	136.5	-2.1	113.1	M98 T101 R105	M98-R103 HydrophobicContact SD-CB 4.02Å; T101-R103 PolarHBondContact O-N 3.45Å; T101-R103 VanDerWaalsContact O-N 3.12Å; R103-R105 VanDerWaalsContact C-N 3.32Å; R103-R105 PolarHBondContact O-N 3.31Å
104	L	57.7	Low	64.9	Low	124 Å²	124	109.6 Å²	109.6	65%	0.649	53%	0.526	S	S	*	.			trans	-75.1	70.2	-171.2	-155	83.2	0	0	0	113.8	G102 S106	G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 3.46Å; G102-L104 VanDerWaalsContact O-N 3.07Å; L104-S106 PolarHBondContact O-N 3.26Å
105	R	57.4	Low	64.5	Low	199 Å²	199	108.5 Å²	108.5	75%	0.751	54%	0.535	S	S	*	.			trans	-84.1	62.7	165.8	-161.3	164.2	172.6	161.7	-4	110	R103 R107	R103-R105 VanDerWaalsContact C-N 3.32Å; R103-R105 PolarHBondContact O-N 3.31Å; R105-R107 PolarHBondContact O-N 3.48Å
106	S	56.4	Low	64.1	Low	57 Å²	57	109.8 Å²	109.8	40%	0.399	54%	0.544	S	S	.	.	H	α-helix	trans	-63	-35.1	-164.3	59.2	0	0	0	0	115.4	L104 R110	L104-S106 PolarHBondContact O-N 3.26Å; S106-R110 WeakPolarHBondContact O-CB 3.42Å; S106-R110 PolarHBondContact O-N 2.9Å
107	R	57	Low	63.6	Low	190 Å²	190	107.6 Å²	107.6	72%	0.717	53%	0.53	S	S	*	.	H	α-helix	trans	-75.8	-37.9	-166	-70.3	-160.8	-83.4	-163.2	-4.5	115.5	R105 K111	R105-R107 PolarHBondContact O-N 3.48Å; R107-K111 PolarHBondContact O-N 2.97Å
108	L	57.8	Low	62.8	Low	112 Å²	112	108.2 Å²	108.2	59%	0.586	53%	0.531	S	S	*	.	H	α-helix	trans	-80.9	-40.4	-178.9	-105.9	84.2	0	0	0	112.5	R110 K111 R112	L108-R110 VanDerWaalsContact C-N 3.32Å; L108-K111 PolarHBondContact O-N 3.08Å; L108-R112 PolarHBondContact O-N 3Å
109	V	61.6	Low	62.4	Low	64 Å²	64	107.7 Å²	107.7	39%	0.388	54%	0.537	S	S	.	.	H	α-helix	trans	-63.7	-42.3	177.8	-179.7	0	0	0	0	109.4	K111 R112 F113	V109-K111 PolarHBondContact O-N 3.36Å; V109-R112 PolarHBondContact O-N 3.34Å; V109-F113 HydrophobicContact CG1-CD2 3.45Å; V109-F113 VanDerWaalsContact CG1-CD2 3.45Å; V109-F113 HydrophobicContact CG1-CE2 3.54Å; V109-F113 WeakPolarHBondContact O-CD2 3.37Å; V109-F113 PolarHBondContact O-N 2.65Å
110	R	59.1	Low	61.8	Low	124 Å²	124	107.8 Å²	107.8	47%	0.468	53%	0.528	S	S	.	.	H	α-helix	trans	-58.2	-46.5	175.8	-175.7	175.6	67.5	-179.7	8.2	114.1	E39 S106 L108 R112 L114	E39-R110 WeakPolarHBondContact OE1-CD 3.46Å; S106-R110 WeakPolarHBondContact O-CB 3.42Å; S106-R110 PolarHBondContact O-N 2.9Å; L108-R110 VanDerWaalsContact C-N 3.32Å; R110-R112 VanDerWaalsContact C-N 3.31Å; R110-R112 PolarHBondContact O-N 2.9Å; R110-L114 VanDerWaalsContact O-CB 3.3Å; R110-L114 WeakPolarHBondContact O-CB 3.47Å; R110-L114 PolarHBondContact O-N 3.4Å
111	K	58.8	Low	60.7	Low	167 Å²	167	102.9 Å²	102.9	73%	0.726	50%	0.499	S	S	*	.	H	α-helix	trans	-62.8	-39.3	176.7	-93.7	-169.4	176.1	-173.4	0	111.7	R107 L108 V109 C115	R107-K111 PolarHBondContact O-N 2.97Å; L108-K111 PolarHBondContact O-N 3.08Å; V109-K111 PolarHBondContact O-N 3.36Å; K111-C115 WeakPolarHBondContact O-CB 3.28Å; K111-C115 PolarHBondContact O-N 2.91Å; K111-C115 PolarHBondContact O-SG 2.95Å; K111-C115 VanDerWaalsContact O-SG 3.32Å
112	R	63.9	Low	59.7	Low	182 Å²	182	103.2 Å²	103.2	69%	0.687	51%	0.507	S	S	*	.	H	α-helix	trans	-70.5	-41.9	-178.7	-131	129.3	-177.9	-173.3	0.5	112.2	L108 V109 R110 C115 L116	L108-R112 PolarHBondContact O-N 3Å; V109-R112 PolarHBondContact O-N 3.34Å; R110-R112 VanDerWaalsContact C-N 3.31Å; R110-R112 PolarHBondContact O-N 2.9Å; R112-C115 PolarHBondContact O-N 2.98Å; R112-L116 WeakPolarHBondContact O-CB 3.21Å; R112-L116 WeakPolarHBondContact O-CG 3.49Å; R112-L116 PolarHBondContact O-N 3.39Å
113	F	60.4	Low	59.5	Low	64 Å²	64	105 Å²	105	28%	0.281	50%	0.502	S	S	.	.	H	α-helix	trans	-71.4	-34.8	176.4	-87.6	-80.8	0	0	0	113	T91 V109 L116 G117	T91-F113 HydrophobicContact CG2-CB 4.07Å; T91-F113 HydrophobicContact CG2-CD1 3.67Å; T91-F113 HydrophobicContact CG2-CE1 4.26Å; T91-F113 HydrophobicContact CG2-CG 3.92Å; T91-F113 WeakPolarHBondContact OG1-CD1 3.29Å; T91-F113 WeakPolarHBondContact OG1-CE1 3.1Å; V109-F113 HydrophobicContact CG1-CD2 3.45Å; V109-F113 VanDerWaalsContact CG1-CD2 3.45Å; V109-F113 HydrophobicContact CG1-CE2 3.54Å; V109-F113 WeakPolarHBondContact O-CD2 3.37Å; V109-F113 PolarHBondContact O-N 2.65Å; F113-L116 PolarHBondContact O-N 3.49Å; F113-G117 PolarHBondContact O-N 2.97Å
114	L	60.2	Low	59.3	Low	95 Å²	95	97.7 Å²	97.7	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-66.6	-41.1	172.7	-150.1	79.7	0	0	0	111.1	W88 R110 W118	W88-L114 HydrophobicContact CH2-CD1 4.28Å; R110-L114 VanDerWaalsContact O-CB 3.3Å; R110-L114 WeakPolarHBondContact O-CB 3.47Å; R110-L114 PolarHBondContact O-N 3.4Å; L114-W118 WeakPolarHBondContact O-CB 3.43Å; L114-W118 PolarHBondContact O-N 3.31Å
115	C	62.3	Low	59.3	Low	92 Å²	92	94.5 Å²	94.5	62%	0.622	47%	0.465	S	S	*	.	H	α-helix	trans	-67.1	-32.6	172.8	-73.8	0	0	0	0	112.9	K111 R112 G119	K111-C115 WeakPolarHBondContact O-CB 3.28Å; K111-C115 PolarHBondContact O-N 2.91Å; K111-C115 PolarHBondContact O-SG 2.95Å; K111-C115 VanDerWaalsContact O-SG 3.32Å; R112-C115 PolarHBondContact O-N 2.98Å; C115-G119 WeakPolarHBondContact O-CA 3.46Å; C115-G119 PolarHBondContact O-N 3.48Å
116	L	61.4	Low	59.5	Low	90 Å²	90	88 Å²	88	47%	0.471	45%	0.453	S	S	.	.	H	α-helix	trans	-74	-45.7	174.4	-84	159.3	0	0	0	111.2	R112 F113 W118 L120 P121	R112-L116 WeakPolarHBondContact O-CB 3.21Å; R112-L116 WeakPolarHBondContact O-CG 3.49Å; R112-L116 PolarHBondContact O-N 3.39Å; F113-L116 PolarHBondContact O-N 3.49Å; L116-W118 VanDerWaalsContact C-N 3.27Å; L116-W118 PolarHBondContact O-N 3.18Å; L116-L120 HydrophobicContact CD2-CD1 3.96Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 PolarHBondContact O-N 3.1Å; L116-L120 VanDerWaalsContact O-N 3.09Å; L116-P121 WeakPolarHBondContact O-CD 2.74Å
117	G	59.9	Low	59.6	Low	8 Å²	8	89 Å²	89	8%	0.082	45%	0.453	C	S	.	.	H	α-helix	trans	-72.2	-11	-179.8	0	0	0	0	0	115.2	W88 F113 P121	W88-G117 PolarHBondContact NE1-O 2.96Å; F113-G117 PolarHBondContact O-N 2.97Å; G117-P121 WeakPolarHBondContact O-CG 3.34Å
118	W	59.1	Low	59.5	Low	152 Å²	152	81 Å²	81	58%	0.576	43%	0.426	S	S	*	.	H	α-helix	trans	-117.8	-30.8	171.3	-79.6	84	0	0	0	113.6	W88 L114 L116 P121 A122	W88-W118 AromaticContact CZ2-NE1 4Å; L114-W118 WeakPolarHBondContact O-CB 3.43Å; L114-W118 PolarHBondContact O-N 3.31Å; L116-W118 VanDerWaalsContact C-N 3.27Å; L116-W118 PolarHBondContact O-N 3.18Å; W118-P121 VanDerWaalsContact C-CD 3.46Å; W118-P121 WeakPolarHBondContact O-CB 3.21Å; W118-A122 WeakPolarHBondContact O-CB 3.29Å; W118-A122 PolarHBondContact O-N 3.29Å
119	G	60.7	Low	59.2	Low	34 Å²	34	80.3 Å²	80.3	35%	0.351	43%	0.427	S	S	.	.	H	α-helix	trans	-78.5	-40.9	-178.8	0	0	0	0	0	113.2	C115 A122 L123	C115-G119 WeakPolarHBondContact O-CA 3.46Å; C115-G119 PolarHBondContact O-N 3.48Å; G119-A122 PolarHBondContact O-N 3.4Å; G119-L123 WeakPolarHBondContact O-CB 3.05Å; G119-L123 PolarHBondContact O-N 3.15Å
120	L	56.9	Low	58.9	Low	69 Å²	69	79.7 Å²	79.7	36%	0.361	43%	0.434	S	S	.	.	H	α-helix	trans	-60	-41.4	168.4	-121.1	88	0	0	0	109.6	L83 L116 L123 V124	L83-L120 HydrophobicContact CD2-CD2 4.3Å; L116-L120 HydrophobicContact CD2-CD1 3.96Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 PolarHBondContact O-N 3.1Å; L116-L120 VanDerWaalsContact O-N 3.09Å; L120-L123 PolarHBondContact O-N 3.31Å; L120-V124 WeakPolarHBondContact O-CG2 3.34Å; L120-V124 PolarHBondContact O-N 2.87Å; L120-V124 VanDerWaalsContact O-N 3.07Å
121	P	55.4	Low	58.5	Low	21 Å²	21	81.6 Å²	81.6	14%	0.136	45%	0.446	C	S	.	.	H	α-helix	trans	-53.9	-58.6	173.2	-38.3	42.7	0	0	0	115.8	F80 L116 G117 W118 L123 V124 V125	F80-P121 HydrophobicContact CE1-CB 4.29Å; F80-P121 VanDerWaalsContact CE2-C 3.45Å; F80-P121 HydrophobicContact CE2-CB 3.93Å; F80-P121 HydrophobicContact CE2-CG 4.36Å; F80-P121 WeakPolarHBondContact CE2-O 3.17Å; F80-P121 HydrophobicContact CZ-CB 3.38Å; F80-P121 HydrophobicContact CZ-CG 4.09Å; F80-P121 WeakPolarHBondContact CZ-O 3.34Å; L116-P121 WeakPolarHBondContact O-CD 2.74Å; G117-P121 WeakPolarHBondContact O-CG 3.34Å; W118-P121 VanDerWaalsContact C-CD 3.46Å; W118-P121 WeakPolarHBondContact O-CB 3.21Å; P121-L123 VanDerWaalsContact C-N 3.25Å; P121-L123 PolarHBondContact O-N 2.9Å; P121-V124 PolarHBondContact O-N 3.13Å; P121-V125 WeakPolarHBondContact O-CG2 2.94Å; P121-V125 PolarHBondContact O-N 2.91Å
122	A	58.1	Low	58.1	Low	62 Å²	62	78.1 Å²	78.1	51%	0.512	44%	0.438	S	S	.	.	H	α-helix	trans	-61	-35.5	178.6	0	0	0	0	0	112.4	W118 G119 V125 A126	W118-A122 WeakPolarHBondContact O-CB 3.29Å; W118-A122 PolarHBondContact O-N 3.29Å; G119-A122 PolarHBondContact O-N 3.4Å; A122-V125 PolarHBondContact O-N 1.98Å; A122-A126 VanDerWaalsContact O-CB 3.29Å; A122-A126 WeakPolarHBondContact O-CB 3.39Å; A122-A126 PolarHBondContact O-N 3.24Å
123	L	62.3	Low	57.2	Low	100 Å²	100	78.9 Å²	78.9	52%	0.524	45%	0.447	S	S	.	.	H	α-helix	trans	-65.5	-44.3	-180	-170.2	75.5	0	0	0	111.7	G119 L120 P121 A126 I127	G119-L123 WeakPolarHBondContact O-CB 3.05Å; G119-L123 PolarHBondContact O-N 3.15Å; L120-L123 PolarHBondContact O-N 3.31Å; P121-L123 VanDerWaalsContact C-N 3.25Å; P121-L123 PolarHBondContact O-N 2.9Å; L123-A126 CarbonylContact O-C 3.6Å; L123-A126 PolarHBondContact O-N 3.17Å; L123-I127 HydrophobicContact CD2-CD1 4.25Å; L123-I127 HydrophobicContact CG-CD1 3.85Å; L123-I127 HydrophobicContact CG-CG1 4.47Å; L123-I127 WeakPolarHBondContact O-CB 3.33Å; L123-I127 WeakPolarHBondContact O-CG1 3.27Å; L123-I127 PolarHBondContact O-N 2.86Å
124	V	58.8	Low	56.3	Low	45 Å²	45	79.5 Å²	79.5	27%	0.273	46%	0.463	S	S	.	.	H	α-helix	trans	-72.8	-32.1	178.9	178	0	0	0	0	111.6	F80 L120 P121 A126 I127 S128	F80-V124 HydrophobicContact CB-CG1 4.11Å; F80-V124 HydrophobicContact CD2-CB 3.32Å; F80-V124 HydrophobicContact CD2-CG1 3.5Å; F80-V124 HydrophobicContact CD2-CG2 3.7Å; F80-V124 HydrophobicContact CE2-CB 3.43Å; F80-V124 VanDerWaalsContact CE2-CB 3.43Å; F80-V124 HydrophobicContact CE2-CG1 4.07Å; F80-V124 HydrophobicContact CE2-CG2 3.93Å; F80-V124 HydrophobicContact CG-CB 4.37Å; F80-V124 HydrophobicContact CG-CG1 4.15Å; L120-V124 WeakPolarHBondContact O-CG2 3.34Å; L120-V124 PolarHBondContact O-N 2.87Å; L120-V124 VanDerWaalsContact O-N 3.07Å; P121-V124 PolarHBondContact O-N 3.13Å; V124-A126 VanDerWaalsContact C-N 3.34Å; V124-I127 PolarHBondContact O-N 3.37Å; V124-S128 VanDerWaalsContact O-CB 3.28Å; V124-S128 WeakPolarHBondContact O-CB 3.4Å; V124-S128 PolarHBondContact O-N 3.42Å; V124-S128 PolarHBondContact O-OG 3.35Å
125	V	57.5	Low	55.6	Low	58 Å²	58	85.6 Å²	85.6	35%	0.352	49%	0.486	S	S	.	.	H	α-helix	trans	-62.2	-44.4	169.4	174.6	0	0	0	0	110.2	F77 F80 P121 A122 S128 V129	F77-V125 HydrophobicContact CE1-CG2 4.26Å; F80-V125 HydrophobicContact CZ-CG2 4.09Å; P121-V125 WeakPolarHBondContact O-CG2 2.94Å; P121-V125 PolarHBondContact O-N 2.91Å; A122-V125 PolarHBondContact O-N 1.98Å; V125-S128 PolarHBondContact O-N 3.4Å; V125-V129 HydrophobicContact CG1-CG2 4.49Å; V125-V129 WeakPolarHBondContact O-CB 3.36Å; V125-V129 VanDerWaalsContact O-CG2 3.31Å; V125-V129 WeakPolarHBondContact O-CG2 3.4Å; V125-V129 PolarHBondContact O-N 3.44Å
126	A	62.8	Low	54.7	Low	62 Å²	62	84.3 Å²	84.3	51%	0.512	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-39.8	176.9	0	0	0	0	0	112.5	A122 L123 V124 G130	A122-A126 VanDerWaalsContact O-CB 3.29Å; A122-A126 WeakPolarHBondContact O-CB 3.39Å; A122-A126 PolarHBondContact O-N 3.24Å; L123-A126 CarbonylContact O-C 3.6Å; L123-A126 PolarHBondContact O-N 3.17Å; V124-A126 VanDerWaalsContact C-N 3.34Å; A126-G130 WeakPolarHBondContact O-CA 3.28Å; A126-G130 PolarHBondContact O-N 3.41Å
127	I	58.6	Low	53.8	Low	77 Å²	77	86.6 Å²	86.6	40%	0.395	49%	0.492	S	S	.	.	H	α-helix	trans	-65.9	-42.8	173.6	-69.4	165.5	0	0	0	109.8	L123 V124 V129 G130 F131	L123-I127 HydrophobicContact CD2-CD1 4.25Å; L123-I127 HydrophobicContact CG-CD1 3.85Å; L123-I127 HydrophobicContact CG-CG1 4.47Å; L123-I127 WeakPolarHBondContact O-CB 3.33Å; L123-I127 WeakPolarHBondContact O-CG1 3.27Å; L123-I127 PolarHBondContact O-N 2.86Å; V124-I127 PolarHBondContact O-N 3.37Å; I127-V129 PolarHBondContact O-N 2.89Å; I127-G130 PolarHBondContact O-N 2.92Å; I127-F131 HydrophobicContact CG2-CD2 3.55Å; I127-F131 HydrophobicContact CG2-CE2 3.76Å; I127-F131 WeakPolarHBondContact O-CB 3.37Å; I127-F131 WeakPolarHBondContact O-CD2 3.23Å; I127-F131 PolarHBondContact O-N 2.89Å
128	S	54.2	Low	52.8	Low	22 Å²	22	90.5 Å²	90.5	15%	0.154	52%	0.517	C	S	.	.	H	α-helix	trans	-64.1	-43.9	179.2	-59.1	0	0	0	0	111.7	V124 V125 T132	V124-S128 VanDerWaalsContact O-CB 3.28Å; V124-S128 WeakPolarHBondContact O-CB 3.4Å; V124-S128 PolarHBondContact O-N 3.42Å; V124-S128 PolarHBondContact O-OG 3.35Å; V125-S128 PolarHBondContact O-N 3.4Å; S128-T132 WeakPolarHBondContact O-CB 3.4Å; S128-T132 PolarHBondContact O-N 3.44Å; S128-T132 VanDerWaalsContact O-N 3.16Å; S128-T132 PolarHBondContact O-OG1 2.86Å
129	V	51.7	Low	52	Low	99 Å²	99	89 Å²	89	60%	0.6	53%	0.525	S	S	*	.	H	α-helix	trans	-68.2	-37.8	174.7	173.8	0	0	0	0	111.2	V125 I127 T132	V125-V129 HydrophobicContact CG1-CG2 4.49Å; V125-V129 WeakPolarHBondContact O-CB 3.36Å; V125-V129 VanDerWaalsContact O-CG2 3.31Å; V125-V129 WeakPolarHBondContact O-CG2 3.4Å; V125-V129 PolarHBondContact O-N 3.44Å; I127-V129 PolarHBondContact O-N 2.89Å; V129-T132 PolarHBondContact O-N 3.08Å
130	G	55.1	Low	51.3	Low	51 Å²	51	94.1 Å²	94.1	53%	0.526	54%	0.542	S	S	.	.	H	α-helix	trans	-66.6	-42.6	177.4	0	0	0	0	0	113.3	A126 I127 T132 K133	A126-G130 WeakPolarHBondContact O-CA 3.28Å; A126-G130 PolarHBondContact O-N 3.41Å; I127-G130 PolarHBondContact O-N 2.92Å; G130-T132 VanDerWaalsContact C-N 3.29Å; G130-T132 PolarHBondContact O-N 3.17Å; G130-K133 PolarHBondContact O-N 3.2Å
131	F	50.8	Low	50.8	Low	164 Å²	164	96.9 Å²	96.9	72%	0.719	56%	0.557	S	S	*	*	H	α-helix	trans	-71.1	-23	175.5	-91.9	-92.7	0	0	0	112.9	I127 K133 A134	I127-F131 HydrophobicContact CG2-CD2 3.55Å; I127-F131 HydrophobicContact CG2-CE2 3.76Å; I127-F131 WeakPolarHBondContact O-CB 3.37Å; I127-F131 WeakPolarHBondContact O-CD2 3.23Å; I127-F131 PolarHBondContact O-N 2.89Å; F131-K133 PolarHBondContact O-N 2.84Å; F131-K133 VanDerWaalsContact O-N 3.13Å; F131-A134 PolarHBondContact O-N 3.14Å
132	T	49.1	Very low	50.2	Low	93 Å²	93	105.2 Å²	105.2	57%	0.571	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-9.8	178	-59.9	0	0	0	0	113	S128 V129 G130	S128-T132 WeakPolarHBondContact O-CB 3.4Å; S128-T132 PolarHBondContact O-N 3.44Å; S128-T132 VanDerWaalsContact O-N 3.16Å; S128-T132 PolarHBondContact O-OG1 2.86Å; V129-T132 PolarHBondContact O-N 3.08Å; G130-T132 VanDerWaalsContact C-N 3.29Å; G130-T132 PolarHBondContact O-N 3.17Å
133	K	45.3	Very low	49.9	Very low	199 Å²	199	105 Å²	105	87%	0.865	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-1	174	-86.9	-149	175.3	-173.8	0	116.3	G130 F131	G130-K133 PolarHBondContact O-N 3.2Å; F131-K133 PolarHBondContact O-N 2.84Å; F131-K133 VanDerWaalsContact O-N 3.13Å
134	A	42.9	Very low	48.8	Very low	76 Å²	76	110.8 Å²	110.8	63%	0.628	60%	0.596	S	S	*	*	S	Bend	trans	-131.5	79.4	-177.4	0	0	0	0	0	113.9	F131 G136	F131-A134 PolarHBondContact O-N 3.14Å; A134-G136 VanDerWaalsContact C-N 3.3Å; A134-G136 PolarHBondContact O-N 2.9Å
135	K	44.7	Very low	47.9	Very low	224 Å²	224	112.6 Å²	112.6	97%	0.974	60%	0.604	S	S	*	*	S	Bend		48.2	24.3	128.3	-129.8	174.4	179.4	-179.9	0	120.4
136	G	43.4	Very low	46.8	Very low	65 Å²	65	115.1 Å²	115.1	67%	0.67	62%	0.624	S	S	*	*			trans	-130.7	0.3	-169	0	0	0	0	0	119.2	A134 S138	A134-G136 VanDerWaalsContact C-N 3.3Å; A134-G136 PolarHBondContact O-N 2.9Å; G136-S138 PolarHBondContact O-N 3.49Å
137	Y	43.6	Very low	45.6	Very low	138 Å²	138	122.5 Å²	122.5	54%	0.541	65%	0.654	S	S	.	*			trans	-99.4	49.4	-175	-96.1	-78.4	0	0	0	114.2	T72	T72-Y137 HydrophobicContact CG2-CD1 3.62Å; T72-Y137 HydrophobicContact CG2-CD2 4.06Å; T72-Y137 HydrophobicContact CG2-CE1 3.19Å; T72-Y137 HydrophobicContact CG2-CE2 3.67Å; T72-Y137 HydrophobicContact CG2-CG 4.02Å; T72-Y137 WeakPolarHBondContact OG1-CD1 3.42Å; T72-Y137 VanDerWaalsContact OG1-CE1 3.29Å; T72-Y137 WeakPolarHBondContact OG1-CE1 3.37Å
138	S	38.4	Very low	44.9	Very low	89 Å²	89	124.8 Å²	124.8	62%	0.622	67%	0.667	S	S	*	*			trans	-130	90.2	175	-137.1	0	0	0	0	112.1	K68 G136	K68-S138 PolarHBondContact NZ-OG 3.05Å; K68-S138 VanDerWaalsContact NZ-OG 3.1Å; G136-S138 PolarHBondContact O-N 3.49Å
139	T	41.8	Very low	44.5	Very low	120 Å²	120	130.2 Å²	130.2	74%	0.736	69%	0.694	S	S	*	*			trans	-116.6	136	156	-40.3	0	0	0	0	108.1	K68 N141	K68-T139 WeakPolarHBondContact CD-O 3.46Å; K68-T139 WeakPolarHBondContact CE-O 3.44Å; K68-T139 VanDerWaalsContact NZ-C 3.29Å; K68-T139 PolarHBondContact NZ-O 3.26Å; T139-N141 PolarHBondContact O-N 2.79Å
140	M	46.3	Very low	44	Very low	143 Å²	143	131.9 Å²	131.9	70%	0.704	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-10.3	-153.1	-79.7	-65.3	-169.1	0	0	118.3	K68	K68-M140 VanDerWaalsContact NZ-CA 3.28Å; K68-M140 PolarHBondContact NZ-SD 3.3Å
141	N	45.2	Very low	43.4	Very low	126 Å²	126	136.7 Å²	136.7	67%	0.674	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.9	-1.5	-160.6	-65.6	-56.4	0	0	0	117.6	T139	T139-N141 PolarHBondContact O-N 2.79Å
142	Y	44.5	Very low	42.9	Very low	196 Å²	196	135 Å²	135	77%	0.769	71%	0.709	S	S	*	*			trans	-139.1	137.7	-176.9	-53.2	-74.5	0	0	0	113.1	W144	Y142-W144 VanDerWaalsContact C-N 3.28Å; Y142-W144 PolarHBondContact O-N 2.84Å
143	C	51.2	Low	42.5	Very low	59 Å²	59	137.8 Å²	137.8	40%	0.399	72%	0.718	S	S	.	*			trans	-97.4	51.8	178.9	-149.7	0	0	0	0	108	C71	C71-C143 HydrophobicContact CB-CB 4.01Å; C71-C143 WeakPolarHBondContact CB-SG 3.32Å; C71-C143 WeakPolarHBondContact SG-CA 3.23Å; C71-C143 WeakPolarHBondContact SG-CB 3.46Å; C71-C143 PolarHBondContact SG-O 3.29Å; C71-C143 CovalentContact SG-SG 1.98Å; C71-C143 PolarHBondContact SG-SG 3.38Å
144	W	40.1	Very low	42.3	Very low	221 Å²	221	133.4 Å²	133.4	84%	0.837	71%	0.707	S	S	*	*	S	Bend	trans	-141.6	147.4	-176.1	-145.3	3.3	0	0	0	110	Y142 S146	Y142-W144 VanDerWaalsContact C-N 3.28Å; Y142-W144 PolarHBondContact O-N 2.84Å; W144-S146 PolarHBondContact O-N 3.06Å
145	L	39.8	Very low	42.3	Very low	82 Å²	82	137.8 Å²	137.8	43%	0.429	71%	0.713	S	S	.	*			trans	-65	100.2	165.7	-138.4	105	0	0	0	105.6	A75 L147	A75-L145 HydrophobicContact CB-CD1 4.33Å; L145-L147 PolarHBondContact O-N 3.05Å
146	S	33.9	Very low	42.1	Very low	112 Å²	112	130.7 Å²	130.7	78%	0.783	69%	0.692	S	S	*	*			trans	-68.9	114.8	158.4	-167	0	0	0	0	105	W144	W144-S146 PolarHBondContact O-N 3.06Å
147	L	36.9	Very low	42	Very low	217 Å²	217	136.6 Å²	136.6	100%	1.136	69%	0.694	S	S	*	*			trans	-58.4	0	153.5	-168.1	70.4	0	0	0	108.5	L145	L145-L147 PolarHBondContact O-N 3.05Å

Retrieved 147 of 147 residues in 70.5 ms (Link to these results)

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