A0A077YX04_TRITR Loading...

DnaJ homolog subfamily B member 9

Co-chaperone for Hsp70 protein HSPA5/BiP that acts as a key repressor of the ERN1/IRE1-mediated unfolded protein response (UPR). J domain-containing co-chaperones stimulate the ATPase activity of Hsp70 proteins and are required for efficient substrate recognition by Hsp70 proteins. In the unstressed endoplasmic reticulum, interacts with the luminal region of ERN1/IRE1 and selectively recruits HSPA5/BiP: HSPA5/BiP disrupts the dimerization of the active ERN1/IRE1 luminal region, thereby inactivating ERN1/IRE1. Also involved in endoplasmic reticulum-associated degradation (ERAD) of misfolded proteins. Required for survival of B-cell progenitors and normal antibody production.

AlphaFold DB , UniProt , Accession A0A077YX04, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.1	Very low	56.6	Low	235 Å²	235	159.5 Å²	159.5	100%	1.158	89%	0.886	S	S	*	*				0	52.6	0	-68.6	162	62.6	0	0	111
2	W	52	Low	55.8	Low	247 Å²	247	152.5 Å²	152.5	94%	0.936	86%	0.864	S	S	*	*			trans	-126	17.6	-168.7	-85.9	44.1	0	0	0	113.8
3	C	58.9	Low	54.7	Low	136 Å²	136	151.7 Å²	151.7	92%	0.919	87%	0.871	S	S	*	*			trans	-97.1	9.3	-173.6	-69.8	0	0	0	0	115.7
4	A	59	Low	53.8	Low	99 Å²	99	152.1 Å²	152.1	82%	0.818	86%	0.861	S	S	*	*	S	Bend	trans	-102.4	6.8	-172.2	0	0	0	0	0	115.6
5	L	59.1	Low	53.1	Low	162 Å²	162	146.7 Å²	146.7	85%	0.848	85%	0.852	S	S	*	*	S	Bend	trans	-101.4	8	-169.7	-86.6	166.3	0	0	0	116.3
6	I	62	Low	52.1	Low	159 Å²	159	143.8 Å²	143.8	82%	0.815	85%	0.851	S	S	*	*	S	Bend	trans	-112	0.4	-170	-60.6	178.7	0	0	0	114.4
7	L	58.9	Low	51.7	Low	179 Å²	179	138.4 Å²	138.4	94%	0.937	82%	0.822	S	S	*	*	S	Bend	trans	-102.6	7.6	-174.2	-83.3	166	0	0	0	116.7
8	L	56.4	Low	51.2	Low	173 Å²	173	134.5 Å²	134.5	91%	0.906	81%	0.808	S	S	*	*	S	Bend	trans	-112.1	18.5	-173.5	-128.3	158.6	0	0	0	114.6
9	A	54.8	Low	51.2	Low	90 Å²	90	133.7 Å²	133.7	74%	0.744	81%	0.809	S	S	*	*	S	Bend	trans	-113.1	9	-168.6	0	0	0	0	0	116.6
10	V	58.4	Low	51.7	Low	139 Å²	139	128.4 Å²	128.4	84%	0.842	78%	0.778	S	S	*	*	S	Bend	trans	-118.8	-1.6	-171.5	-174.2	0	0	0	0	115.6
11	V	56.5	Low	52.9	Low	136 Å²	136	122.7 Å²	122.7	82%	0.824	74%	0.744	S	S	*	*	S	Bend	trans	-118.3	13.7	-166.4	-177.9	0	0	0	0	116.1
12	A	46.7	Very low	54.7	Low	75 Å²	75	111.6 Å²	111.6	62%	0.62	69%	0.689	S	S	*	*			trans	-146.8	54.3	-174.8	0	0	0	0	0	116.7	H14	A12-H14 WeakPolarHBondContact CB-ND1 3.44Å; A12-H14 PolarHBondContact O-N 3.06Å
13	C	41.4	Very low	56.3	Low	142 Å²	142	100 Å²	100	96%	0.959	65%	0.645	S	S	*	*			trans	-75.8	69.5	148.3	-93.2	0	0	0	0	109	G15	C13-G15 PolarHBondContact O-N 3.07Å
14	H	42.6	Very low	57.5	Low	158 Å²	158	96.7 Å²	96.7	73%	0.731	63%	0.627	S	S	*	*			trans	-74.5	77.8	162.7	-71.9	83.4	0	0	0	107.7	A12 A16	A12-H14 WeakPolarHBondContact CB-ND1 3.44Å; A12-H14 PolarHBondContact O-N 3.06Å; H14-A16 PolarHBondContact O-N 2.99Å
15	G	42.6	Very low	58.7	Low	70 Å²	70	95.3 Å²	95.3	72%	0.722	60%	0.601	S	S	*	*			trans	-72.2	69.2	165.7	0	0	0	0	0	109.9	C13 S17	C13-G15 PolarHBondContact O-N 3.07Å; G15-S17 PolarHBondContact O-N 3.21Å
16	A	37.9	Very low	59.9	Low	101 Å²	101	87.9 Å²	87.9	84%	0.835	56%	0.562	S	S	*	*			trans	-80.3	96.3	172.4	0	0	0	0	0	109	H14	H14-A16 PolarHBondContact O-N 2.99Å
17	S	45.3	Very low	60.9	Low	52 Å²	52	83.5 Å²	83.5	36%	0.364	56%	0.556	S	S	.	*			trans	-123.1	119.4	163.4	54.2	0	0	0	0	108.9	G15 D21 R30	G15-S17 PolarHBondContact O-N 3.21Å; S17-D21 PolarHBondContact OG-OD2 2.71Å; S17-R30 PolarHBondContact OG-NH2 2.99Å
18	A	42.8	Very low	62.2	Low	68 Å²	68	76.2 Å²	76.2	56%	0.562	52%	0.519	S	S	*	.			trans	44	127.2	153.6	0	0	0	0	0	120	S20 D21	A18-S20 PolarHBondContact O-N 3.26Å; A18-D21 PolarHBondContact O-N 3.43Å
19	S	51.5	Low	63.5	Low	120 Å²	120	71.4 Å²	71.4	84%	0.839	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	4.3	172	46.7	0	0	0	0	118.7
20	S	59.9	Low	64.8	Low	26 Å²	26	72.9 Å²	72.9	18%	0.182	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	3.5	179.2	-52.9	0	0	0	0	112.9	A18 A87 E88	A18-S20 PolarHBondContact O-N 3.26Å; S20-A87 WeakPolarHBondContact O-CB 3.47Å; S20-E88 PolarHBondContact OG-OE2 2.8Å
21	D	78	Confident	65.9	Low	10 Å²	10	73.2 Å²	73.2	5%	0.053	48%	0.483	C	S	.	.			trans	-83.3	125.9	-174.4	-84.5	-34.9	0	0	0	114.7	S17 A18 Y23 A24 R25 R30 Y81	S17-D21 PolarHBondContact OG-OD2 2.71Å; A18-D21 PolarHBondContact O-N 3.43Å; D21-Y23 PolarHBondContact O-N 2.93Å; D21-A24 HydrophobicContact CB-CB 3.97Å; D21-A24 WeakPolarHBondContact O-CB 3.18Å; D21-A24 PolarHBondContact O-N 2.99Å; D21-R25 PolarHBondContact O-N 3.44Å; D21-R25 VanDerWaalsContact O-N 3.14Å; D21-R30 VanDerWaalsContact CG-NH2 3.31Å; D21-R30 IonicContact OD1-NH2 3.18Å; D21-R30 PolarHBondContact OD1-NH2 2.73Å; D21-R30 IonicContact OD2-CZ 3.62Å; D21-R30 IonicContact OD2-NE 3.74Å; D21-R30 IonicContact OD2-NH2 2.7Å; D21-R30 PolarHBondContact OD2-NH2 2.98Å; D21-Y81 WeakPolarHBondContact CA-OH 3.38Å; D21-Y81 PolarHBondContact OD1-OH 2.88Å
22	Y	84.6	Confident	67.1	Low	1 Å²	1	67 Å²	67	0%	0.004	45%	0.446	C	S	.	.	H	α-helix	trans	-58.8	-34.2	172.8	-68.7	-44.2	0	0	0	112.5	A24 R25 L26 E67 A68 V71 Y81 A87 Y90	Y22-A24 VanDerWaalsContact C-N 3.34Å; Y22-A24 PolarHBondContact O-N 2.78Å; Y22-R25 PolarHBondContact O-N 3.43Å; Y22-L26 PolarHBondContact O-N 3.3Å; Y22-E67 HydrophobicContact CE1-CG 3.95Å; Y22-A68 VanDerWaalsContact CD1-CA 3.5Å; Y22-A68 HydrophobicContact CD1-CB 3.7Å; Y22-A68 HydrophobicContact CG-CB 4.08Å; Y22-V71 HydrophobicContact CD2-CB 3.86Å; Y22-V71 HydrophobicContact CD2-CG1 3.75Å; Y22-V71 HydrophobicContact CD2-CG2 4.26Å; Y22-V71 HydrophobicContact CE2-CB 3.78Å; Y22-V71 HydrophobicContact CE2-CG1 3.68Å; Y22-V71 HydrophobicContact CE2-CG2 3.69Å; Y22-Y81 HydrophobicContact CD2-CD1 4.42Å; Y22-Y81 AromaticContact CD2-CD2 3.33Å; Y22-Y81 HydrophobicContact CD2-CD2 3.33Å; Y22-Y81 HydrophobicContact CD2-CE1 4.29Å; Y22-Y81 AromaticContact CD2-CE2 3.09Å; Y22-Y81 HydrophobicContact CD2-CE2 3.09Å; Y22-Y81 AromaticContact CD2-CG 3.99Å; Y22-Y81 HydrophobicContact CD2-CG 3.99Å; Y22-Y81 AromaticContact CD2-CZ 3.65Å; Y22-Y81 AromaticContact CE2-CD2 3.38Å; Y22-Y81 HydrophobicContact CE2-CD2 3.38Å; Y22-Y81 AromaticContact CE2-CE2 3.33Å; Y22-Y81 HydrophobicContact CE2-CE2 3.33Å; Y22-Y81 HydrophobicContact CE2-CG 4.34Å; Y22-Y81 HydrophobicContact CG-CE2 4.02Å; Y22-Y81 PolarHBondContact N-OH 2.78Å; Y22-A87 HydrophobicContact CD2-CB 4.48Å; Y22-A87 HydrophobicContact CE1-CB 4.01Å; Y22-A87 HydrophobicContact CE2-CB 3.95Å; Y22-Y90 HydrophobicContact CE2-CD1 4.43Å
23	Y	85.3	Confident	68.9	Low	5 Å²	5	65.2 Å²	65.2	2%	0.02	43%	0.429	C	S	.	.	H	α-helix	trans	-62.7	-40.2	175	-62.4	-80.9	0	0	0	111.8	D21 L26 G27 V28 S29 R30 L72 R78 Y81 D82	D21-Y23 PolarHBondContact O-N 2.93Å; Y23-L26 PolarHBondContact O-N 2.91Å; Y23-G27 PolarHBondContact O-N 3.02Å; Y23-V28 HydrophobicContact CD1-CG2 4.04Å; Y23-V28 PolarHBondContact O-N 2.79Å; Y23-S29 WeakPolarHBondContact CD1-O 3.1Å; Y23-R30 HydrophobicContact CD2-CG 3.85Å; Y23-R30 HydrophobicContact CE2-CG 4.21Å; Y23-R30 HydrophobicContact CG-CG 4.04Å; Y23-L72 HydrophobicContact CD1-CD1 3.9Å; Y23-L72 HydrophobicContact CD1-CD2 4.14Å; Y23-L72 HydrophobicContact CD2-CD2 4.32Å; Y23-L72 HydrophobicContact CE1-CD1 4.14Å; Y23-L72 HydrophobicContact CE1-CD2 3.61Å; Y23-L72 HydrophobicContact CE1-CG 4.5Å; Y23-L72 HydrophobicContact CE2-CD2 3.82Å; Y23-L72 HydrophobicContact CG-CD1 4.2Å; Y23-L72 HydrophobicContact CG-CD2 4.48Å; Y23-L72 VanDerWaalsContact CZ-CD2 3.44Å; Y23-R78 WeakPolarHBondContact OH-CG 3.01Å; Y23-R78 PolarHBondContact OH-NE 2.76Å; Y23-Y81 AromaticContact CD2-CE1 3.98Å; Y23-Y81 HydrophobicContact CD2-CE1 3.98Å; Y23-Y81 AromaticContact CE2-CD1 3.97Å; Y23-Y81 HydrophobicContact CE2-CD1 3.97Å; Y23-Y81 AromaticContact CE2-CE1 3.66Å; Y23-Y81 HydrophobicContact CE2-CE1 3.66Å; Y23-D82 PolarHBondContact OH-OD1 3Å; Y23-D82 PolarHBondContact OH-OD2 3.24Å
24	A	83.8	Confident	71	Confident	66 Å²	66	62.5 Å²	62.5	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-69.1	-37.3	178	0	0	0	0	0	112.2	D21 Y22 L26 G27	D21-A24 HydrophobicContact CB-CB 3.97Å; D21-A24 WeakPolarHBondContact O-CB 3.18Å; D21-A24 PolarHBondContact O-N 2.99Å; Y22-A24 VanDerWaalsContact C-N 3.34Å; Y22-A24 PolarHBondContact O-N 2.78Å; A24-L26 VanDerWaalsContact C-N 3.27Å; A24-L26 PolarHBondContact O-N 3.4Å; A24-G27 PolarHBondContact O-N 2.89Å; A24-G27 VanDerWaalsContact O-N 3.07Å
25	R	83.7	Confident	72.8	Confident	69 Å²	69	62.3 Å²	62.3	26%	0.26	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-36.3	174.9	-67.4	-178.2	-176.7	-177.4	4.4	112.6	D21 Y22 E64 E67 A68	D21-R25 PolarHBondContact O-N 3.44Å; D21-R25 VanDerWaalsContact O-N 3.14Å; Y22-R25 PolarHBondContact O-N 3.43Å; R25-E64 WeakPolarHBondContact CD-O 3.25Å; R25-E64 PolarHBondContact NH1-O 2.82Å; R25-E67 IonicContact CZ-OE2 3.79Å; R25-E67 IonicContact NH1-OE2 2.73Å; R25-E67 PolarHBondContact NH1-OE2 3.47Å; R25-E67 IonicContact NH2-OE2 3.98Å; R25-A68 HydrophobicContact CB-CB 4.1Å
26	L	84.8	Confident	74.8	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.031	38%	0.379	C	S	.	.	H	α-helix	trans	-85	-13.4	175.2	-67.3	-179.8	0	0	0	113.5	Y22 Y23 A24 V28 I37 F41 L44 I65 A68 L72	Y22-L26 PolarHBondContact O-N 3.3Å; Y23-L26 PolarHBondContact O-N 2.91Å; A24-L26 VanDerWaalsContact C-N 3.27Å; A24-L26 PolarHBondContact O-N 3.4Å; L26-V28 HydrophobicContact CB-CG1 4.27Å; L26-V28 HydrophobicContact CB-CG2 3.94Å; L26-I37 HydrophobicContact CD1-CG2 3.77Å; L26-F41 HydrophobicContact CD2-CB 4.19Å; L26-F41 HydrophobicContact CD2-CD2 4.06Å; L26-L44 HydrophobicContact CD2-CD1 4.13Å; L26-I65 HydrophobicContact CD2-CB 4.08Å; L26-A68 HydrophobicContact CD1-CB 4.36Å; L26-A68 HydrophobicContact CD2-CB 4.45Å; L26-A68 HydrophobicContact CG-CB 4.01Å; L26-L72 HydrophobicContact CD1-CD1 3.8Å
27	G	83.9	Confident	77.1	Confident	68 Å²	68	56.8 Å²	56.8	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	32.8	-175.4	0	0	0	0	0	113.2	Y23 A24	Y23-G27 PolarHBondContact O-N 3.02Å; A24-G27 PolarHBondContact O-N 2.89Å; A24-G27 VanDerWaalsContact O-N 3.07Å
28	V	85.3	Confident	79.1	Confident	25 Å²	25	57.4 Å²	57.4	15%	0.152	34%	0.336	C	S	.	.			trans	-114.2	155.5	-179.5	-62.6	0	0	0	0	111.1	Y23 L26 A32 I37 A40	Y23-V28 HydrophobicContact CD1-CG2 4.04Å; Y23-V28 PolarHBondContact O-N 2.79Å; L26-V28 HydrophobicContact CB-CG1 4.27Å; L26-V28 HydrophobicContact CB-CG2 3.94Å; V28-A32 HydrophobicContact CB-CB 3.87Å; V28-A32 HydrophobicContact CG2-CB 4.26Å; V28-I37 HydrophobicContact CG2-CG1 4.21Å; V28-A40 HydrophobicContact CG1-CB 3.34Å
29	S	83.8	Confident	81	Confident	72 Å²	72	58.3 Å²	58.3	50%	0.503	33%	0.327	S	S	.	.			trans	-68.6	156.8	171.3	-171.1	0	0	0	0	111.1	Y23 D31 A32	Y23-S29 WeakPolarHBondContact CD1-O 3.1Å; S29-D31 PolarHBondContact O-N 2.97Å; S29-D31 PolarHBondContact OG-N 3.31Å; S29-D31 PolarHBondContact OG-OD2 2.78Å; S29-A32 WeakPolarHBondContact O-CB 3.41Å; S29-A32 PolarHBondContact O-N 2.69Å
30	R	81.3	Confident	82.7	Confident	121 Å²	121	53.5 Å²	53.5	46%	0.457	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.9	171	-67.7	177.7	170.4	-145.4	-9.4	112.1	S17 D21 Y23 A32 R78	S17-R30 PolarHBondContact OG-NH2 2.99Å; D21-R30 VanDerWaalsContact CG-NH2 3.31Å; D21-R30 IonicContact OD1-NH2 3.18Å; D21-R30 PolarHBondContact OD1-NH2 2.73Å; D21-R30 IonicContact OD2-CZ 3.62Å; D21-R30 IonicContact OD2-NE 3.74Å; D21-R30 IonicContact OD2-NH2 2.7Å; D21-R30 PolarHBondContact OD2-NH2 2.98Å; Y23-R30 HydrophobicContact CD2-CG 3.85Å; Y23-R30 HydrophobicContact CE2-CG 4.21Å; Y23-R30 HydrophobicContact CG-CG 4.04Å; R30-A32 VanDerWaalsContact C-N 3.29Å; R30-R78 PolarHBondContact O-NH2 2.77Å
31	D	81.7	Confident	83.9	Confident	147 Å²	147	52.5 Å²	52.5	79%	0.786	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.3	175.1	-52.6	-68.6	0	0	0	113.6	S29 S33	S29-D31 PolarHBondContact O-N 2.97Å; S29-D31 PolarHBondContact OG-N 3.31Å; S29-D31 PolarHBondContact OG-OD2 2.78Å; D31-S33 PolarHBondContact O-N 2.76Å
32	A	82.5	Confident	84.1	Confident	5 Å²	5	56.2 Å²	56.2	4%	0.041	30%	0.3	C	S	.	.			trans	-60.5	136.2	-175.7	0	0	0	0	0	111.4	V28 S29 R30 E36 I37 R78	V28-A32 HydrophobicContact CB-CB 3.87Å; V28-A32 HydrophobicContact CG2-CB 4.26Å; S29-A32 WeakPolarHBondContact O-CB 3.41Å; S29-A32 PolarHBondContact O-N 2.69Å; R30-A32 VanDerWaalsContact C-N 3.29Å; A32-E36 HydrophobicContact CB-CB 4.12Å; A32-I37 HydrophobicContact CB-CG1 4.13Å; A32-R78 PolarHBondContact O-NH1 3.14Å; A32-R78 PolarHBondContact O-NH2 3.41Å
33	S	84.3	Confident	84.1	Confident	37 Å²	37	59.5 Å²	59.5	26%	0.259	32%	0.315	S	S	.	.			trans	-66	157.8	171.4	64.1	0	0	0	0	110.9	D31 Q35 E36 I37	D31-S33 PolarHBondContact O-N 2.76Å; S33-Q35 PolarHBondContact O-N 2.75Å; S33-Q35 VanDerWaalsContact O-N 3.15Å; S33-E36 WeakPolarHBondContact CB-OE2 2.9Å; S33-E36 PolarHBondContact N-OE2 3.15Å; S33-E36 PolarHBondContact O-N 2.78Å; S33-E36 VanDerWaalsContact OG-CG 3.32Å; S33-E36 WeakPolarHBondContact OG-CG 3.3Å; S33-E36 PolarHBondContact OG-N 3.03Å; S33-E36 PolarHBondContact OG-OE2 2.92Å; S33-I37 WeakPolarHBondContact O-CG1 3.19Å; S33-I37 PolarHBondContact O-N 3.3Å
34	E	84.4	Confident	84	Confident	86 Å²	86	60.9 Å²	60.9	40%	0.402	32%	0.322	S	S	.	.	H	α-helix	trans	-55.6	-32.9	174.7	-166.4	-166.3	146.3	0	0	111.8	K38	E34-K38 HydrophobicContact CG-CD 4.35Å; E34-K38 WeakPolarHBondContact O-CB 3.4Å; E34-K38 VanDerWaalsContact O-CG 3.26Å; E34-K38 WeakPolarHBondContact O-CG 3.27Å; E34-K38 PolarHBondContact O-N 3.03Å; E34-K38 VanDerWaalsContact OE1-CE 3.25Å; E34-K38 WeakPolarHBondContact OE1-CE 3.06Å; E34-K38 IonicContact OE1-NZ 2.6Å; E34-K38 PolarHBondContact OE1-NZ 2.96Å
35	Q	81.8	Confident	84	Confident	153 Å²	153	57.8 Å²	57.8	72%	0.715	30%	0.296	S	S	*	.	H	α-helix	trans	-67.5	-41.1	177.3	-62.7	-171.2	1.4	0	0	112.4	S33 K38 K39	S33-Q35 PolarHBondContact O-N 2.75Å; S33-Q35 VanDerWaalsContact O-N 3.15Å; Q35-K38 PolarHBondContact O-N 2.8Å; Q35-K39 WeakPolarHBondContact O-CB 3.49Å; Q35-K39 PolarHBondContact O-N 3.39Å
36	E	84.8	Confident	83.7	Confident	55 Å²	55	55.7 Å²	55.7	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-67.4	-43.5	176.4	-73.4	167.9	112.1	0	0	111.6	A32 S33 K38 K39 A40 F143	A32-E36 HydrophobicContact CB-CB 4.12Å; S33-E36 WeakPolarHBondContact CB-OE2 2.9Å; S33-E36 PolarHBondContact N-OE2 3.15Å; S33-E36 PolarHBondContact O-N 2.78Å; S33-E36 VanDerWaalsContact OG-CG 3.32Å; S33-E36 WeakPolarHBondContact OG-CG 3.3Å; S33-E36 PolarHBondContact OG-N 3.03Å; S33-E36 PolarHBondContact OG-OE2 2.92Å; E36-K38 VanDerWaalsContact C-N 3.33Å; E36-K38 PolarHBondContact O-N 3.06Å; E36-K39 PolarHBondContact O-N 2.79Å; E36-K39 VanDerWaalsContact O-N 3.08Å; E36-A40 WeakPolarHBondContact O-CB 2.99Å; E36-A40 PolarHBondContact O-N 2.93Å; E36-F143 HydrophobicContact CG-CE2 4.39Å
37	I	86.6	Confident	83.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-56.1	-49.2	173.3	-69.7	160.3	0	0	0	110	L26 V28 A32 S33 K39 A40 F41 Y69 L72	L26-I37 HydrophobicContact CD1-CG2 3.77Å; V28-I37 HydrophobicContact CG2-CG1 4.21Å; A32-I37 HydrophobicContact CB-CG1 4.13Å; S33-I37 WeakPolarHBondContact O-CG1 3.19Å; S33-I37 PolarHBondContact O-N 3.3Å; I37-K39 VanDerWaalsContact C-N 3.33Å; I37-K39 PolarHBondContact O-N 3.42Å; I37-A40 PolarHBondContact O-N 3.32Å; I37-F41 VanDerWaalsContact O-CB 3.32Å; I37-F41 WeakPolarHBondContact O-CB 3.32Å; I37-F41 PolarHBondContact O-N 2.84Å; I37-Y69 HydrophobicContact CG2-CD2 4.13Å; I37-L72 HydrophobicContact CD1-CB 4.21Å; I37-L72 HydrophobicContact CG2-CB 3.96Å
38	K	85.8	Confident	83.2	Confident	65 Å²	65	60.2 Å²	60.2	28%	0.283	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-39.4	175.1	-78.4	173.1	171	174.4	0	112.3	E34 Q35 E36 R42 Y69	E34-K38 HydrophobicContact CG-CD 4.35Å; E34-K38 WeakPolarHBondContact O-CB 3.4Å; E34-K38 VanDerWaalsContact O-CG 3.26Å; E34-K38 WeakPolarHBondContact O-CG 3.27Å; E34-K38 PolarHBondContact O-N 3.03Å; E34-K38 VanDerWaalsContact OE1-CE 3.25Å; E34-K38 WeakPolarHBondContact OE1-CE 3.06Å; E34-K38 IonicContact OE1-NZ 2.6Å; E34-K38 PolarHBondContact OE1-NZ 2.96Å; Q35-K38 PolarHBondContact O-N 2.8Å; E36-K38 VanDerWaalsContact C-N 3.33Å; E36-K38 PolarHBondContact O-N 3.06Å; K38-R42 VanDerWaalsContact O-CG 3.26Å; K38-R42 WeakPolarHBondContact O-CG 3.09Å; K38-R42 PolarHBondContact O-N 2.88Å; K38-Y69 HydrophobicContact CB-CE2 4.39Å; K38-Y69 WeakPolarHBondContact CE-OH 3.25Å; K38-Y69 HydrophobicContact CG-CE2 3.63Å
39	K	82.6	Confident	82.6	Confident	87 Å²	87	61 Å²	61	38%	0.378	29%	0.292	S	S	.	.	H	α-helix	trans	-68.4	-45.7	179	-169.7	175.2	-179.3	178	0	111.3	Q35 E36 I37 R42 K43	Q35-K39 WeakPolarHBondContact O-CB 3.49Å; Q35-K39 PolarHBondContact O-N 3.39Å; E36-K39 PolarHBondContact O-N 2.79Å; E36-K39 VanDerWaalsContact O-N 3.08Å; I37-K39 VanDerWaalsContact C-N 3.33Å; I37-K39 PolarHBondContact O-N 3.42Å; K39-R42 PolarHBondContact O-N 3.35Å; K39-K43 WeakPolarHBondContact O-CG 3.43Å; K39-K43 PolarHBondContact O-N 3.05Å; K39-K43 VanDerWaalsContact O-N 3.08Å
40	A	87	Confident	81.9	Confident	19 Å²	19	61.1 Å²	61.1	16%	0.157	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-46.1	177	0	0	0	0	0	111.3	V28 E36 I37 R42 K43 L44	V28-A40 HydrophobicContact CG1-CB 3.34Å; E36-A40 WeakPolarHBondContact O-CB 2.99Å; E36-A40 PolarHBondContact O-N 2.93Å; I37-A40 PolarHBondContact O-N 3.32Å; A40-R42 PolarHBondContact O-N 3.14Å; A40-K43 PolarHBondContact O-N 2.03Å; A40-L44 WeakPolarHBondContact O-CG 3.2Å; A40-L44 PolarHBondContact O-N 2.8Å
41	F	86.7	Confident	81.3	Confident	5 Å²	5	61.6 Å²	61.6	2%	0.022	30%	0.302	C	S	.	.	H	α-helix	trans	-56.7	-48.8	174.8	178.8	-96.3	0	0	0	112	L26 I37 K43 L44 A45 I65 A66 Y69 F107 F111	L26-F41 HydrophobicContact CD2-CB 4.19Å; L26-F41 HydrophobicContact CD2-CD2 4.06Å; I37-F41 VanDerWaalsContact O-CB 3.32Å; I37-F41 WeakPolarHBondContact O-CB 3.32Å; I37-F41 PolarHBondContact O-N 2.84Å; F41-K43 VanDerWaalsContact C-N 3.31Å; F41-K43 PolarHBondContact O-N 2.8Å; F41-L44 PolarHBondContact O-N 2.7Å; F41-A45 HydrophobicContact CE1-CB 3.91Å; F41-A45 HydrophobicContact CZ-CB 3.92Å; F41-A45 VanDerWaalsContact O-CB 3.29Å; F41-A45 WeakPolarHBondContact O-CB 3.37Å; F41-A45 PolarHBondContact O-N 3.18Å; F41-I65 HydrophobicContact CD2-CB 4.48Å; F41-I65 HydrophobicContact CD2-CG1 4.5Å; F41-I65 HydrophobicContact CE2-CB 4.41Å; F41-I65 HydrophobicContact CE2-CD1 4.2Å; F41-I65 HydrophobicContact CE2-CG1 4Å; F41-A66 HydrophobicContact CE2-CB 4.41Å; F41-Y69 HydrophobicContact CB-CD2 3.6Å; F41-Y69 HydrophobicContact CB-CE2 4.18Å; F41-Y69 HydrophobicContact CB-CG 4.09Å; F41-Y69 HydrophobicContact CD1-CD1 4.25Å; F41-Y69 HydrophobicContact CD1-CD2 4.11Å; F41-Y69 HydrophobicContact CD1-CE1 4.49Å; F41-Y69 HydrophobicContact CD1-CE2 4.36Å; F41-Y69 HydrophobicContact CD1-CG 4.05Å; F41-Y69 HydrophobicContact CD2-CD1 4.38Å; F41-Y69 HydrophobicContact CD2-CD2 4.12Å; F41-Y69 AromaticContact CD2-CG 3.71Å; F41-Y69 HydrophobicContact CD2-CG 3.71Å; F41-Y69 HydrophobicContact CE1-CD1 4.47Å; F41-Y69 HydrophobicContact CE2-CG 4.24Å; F41-Y69 HydrophobicContact CG-CD1 4.24Å; F41-Y69 AromaticContact CG-CD2 3.62Å; F41-Y69 HydrophobicContact CG-CD2 3.62Å; F41-Y69 HydrophobicContact CG-CE2 4.26Å; F41-Y69 AromaticContact CG-CG 3.61Å; F41-Y69 HydrophobicContact CG-CG 3.61Å; F41-F107 HydrophobicContact CD1-CZ 4.45Å; F41-F107 AromaticContact CE1-CE1 3.62Å; F41-F107 HydrophobicContact CE1-CE1 3.62Å; F41-F107 AromaticContact CE1-CZ 3.3Å; F41-F107 HydrophobicContact CE1-CZ 3.3Å; F41-F107 HydrophobicContact CE2-CE1 4.41Å; F41-F107 HydrophobicContact CE2-CZ 4.09Å; F41-F107 AromaticContact CZ-CE1 3.26Å; F41-F107 HydrophobicContact CZ-CE1 3.26Å; F41-F107 HydrophobicContact CZ-CE2 4.26Å; F41-F107 AromaticContact CZ-CZ 3.08Å; F41-F107 HydrophobicContact CZ-CZ 3.08Å; F41-F111 AromaticContact CE1-CD2 3.95Å; F41-F111 HydrophobicContact CE1-CD2 3.95Å; F41-F111 HydrophobicContact CE1-CE2 4.05Å
42	R	82.1	Confident	80.6	Confident	88 Å²	88	61.5 Å²	61.5	33%	0.332	29%	0.291	S	S	.	.	H	α-helix	trans	-56.9	-42.3	176.8	-75	-175	-59.5	-98.9	2.9	112.6	K38 K39 A40 L46 F111	K38-R42 VanDerWaalsContact O-CG 3.26Å; K38-R42 WeakPolarHBondContact O-CG 3.09Å; K38-R42 PolarHBondContact O-N 2.88Å; K39-R42 PolarHBondContact O-N 3.35Å; A40-R42 PolarHBondContact O-N 3.14Å; R42-L46 WeakPolarHBondContact O-CG 3.08Å; R42-L46 PolarHBondContact O-N 2.82Å; R42-F111 HydrophobicContact CB-CE2 4.44Å; R42-F111 HydrophobicContact CG-CE2 4.03Å
43	K	83	Confident	79.7	Confident	70 Å²	70	63.5 Å²	63.5	30%	0.304	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-43.2	178	-72.2	-176	176	-166.5	0	111.7	K39 A40 F41 K47 F136	K39-K43 WeakPolarHBondContact O-CG 3.43Å; K39-K43 PolarHBondContact O-N 3.05Å; K39-K43 VanDerWaalsContact O-N 3.08Å; A40-K43 PolarHBondContact O-N 2.03Å; F41-K43 VanDerWaalsContact C-N 3.31Å; F41-K43 PolarHBondContact O-N 2.8Å; K43-K47 PolarHBondContact O-N 2.85Å; K43-F136 HydrophobicContact CB-CE1 4.11Å; K43-F136 HydrophobicContact CB-CZ 4.34Å; K43-F136 HydrophobicContact CD-CE1 4.35Å; K43-F136 HydrophobicContact CG-CE1 3.9Å; K43-F136 HydrophobicContact CG-CZ 4.08Å
44	L	85	Confident	78.7	Confident	35 Å²	35	71.2 Å²	71.2	18%	0.183	33%	0.33	C	S	.	.	H	α-helix	trans	-72.4	-40.1	-180	-65.7	171.7	0	0	0	112.1	L26 A40 F41 L46 K47 Y48 I65	L26-L44 HydrophobicContact CD2-CD1 4.13Å; A40-L44 WeakPolarHBondContact O-CG 3.2Å; A40-L44 PolarHBondContact O-N 2.8Å; F41-L44 PolarHBondContact O-N 2.7Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 2.82Å; L44-K47 WeakPolarHBondContact O-CB 3.01Å; L44-K47 PolarHBondContact O-N 3.11Å; L44-Y48 HydrophobicContact CB-CD2 4.45Å; L44-Y48 HydrophobicContact CD2-CE2 4.14Å; L44-Y48 VanDerWaalsContact O-CD2 3.28Å; L44-Y48 WeakPolarHBondContact O-CD2 3.43Å; L44-Y48 PolarHBondContact O-N 2.87Å; L44-I65 HydrophobicContact CB-CD1 3.67Å; L44-I65 HydrophobicContact CB-CG2 4.38Å; L44-I65 HydrophobicContact CD1-CG2 3.92Å
45	A	82.2	Confident	77.9	Confident	0 Å²	0	73 Å²	73	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60	-41.6	177.1	0	0	0	0	0	112.3	F41 K47 H49 F62 F111	F41-A45 HydrophobicContact CE1-CB 3.91Å; F41-A45 HydrophobicContact CZ-CB 3.92Å; F41-A45 VanDerWaalsContact O-CB 3.29Å; F41-A45 WeakPolarHBondContact O-CB 3.37Å; F41-A45 PolarHBondContact O-N 3.18Å; A45-K47 VanDerWaalsContact C-N 3.28Å; A45-K47 PolarHBondContact O-N 3.48Å; A45-H49 WeakPolarHBondContact O-CB 3.4Å; A45-H49 PolarHBondContact O-N 2.83Å; A45-F62 HydrophobicContact CB-CE2 3.8Å; A45-F111 HydrophobicContact CB-CD2 4.32Å; A45-F111 HydrophobicContact CB-CE1 4.24Å; A45-F111 HydrophobicContact CB-CE2 3.67Å; A45-F111 HydrophobicContact CB-CZ 3.63Å
46	L	77.2	Confident	77.2	Confident	26 Å²	26	70 Å²	70	14%	0.136	34%	0.34	C	S	.	.	H	α-helix	trans	-68.5	-25.8	175	-71.1	170.4	0	0	0	113.4	R42 L44 R52 F111 F115 F136	R42-L46 WeakPolarHBondContact O-CG 3.08Å; R42-L46 PolarHBondContact O-N 2.82Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 2.82Å; L46-R52 PolarHBondContact O-NH1 3.41Å; L46-F111 HydrophobicContact CD2-CE1 4.13Å; L46-F111 HydrophobicContact CD2-CZ 4.35Å; L46-F111 HydrophobicContact CG-CE1 4.43Å; L46-F111 HydrophobicContact CG-CZ 4.18Å; L46-F115 HydrophobicContact CD1-CE2 4.07Å; L46-F115 HydrophobicContact CD2-CD2 4.34Å; L46-F115 HydrophobicContact CD2-CE2 4.03Å; L46-F115 HydrophobicContact CD2-CZ 4.42Å; L46-F136 HydrophobicContact CD1-CE2 4.31Å; L46-F136 HydrophobicContact CD1-CZ 4.27Å
47	K	79	Confident	76.8	Confident	131 Å²	131	72.4 Å²	72.4	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-81.8	-34.5	179.4	-174.4	175.8	-178.2	176	0	112.4	K43 L44 A45	K43-K47 PolarHBondContact O-N 2.85Å; L44-K47 WeakPolarHBondContact O-CB 3.01Å; L44-K47 PolarHBondContact O-N 3.11Å; A45-K47 VanDerWaalsContact C-N 3.28Å; A45-K47 PolarHBondContact O-N 3.48Å
48	Y	79.9	Confident	76.1	Confident	37 Å²	37	72.6 Å²	72.6	15%	0.145	36%	0.356	C	S	.	.	S	Bend	trans	-104.6	18.1	180	-61.3	-63.8	0	0	0	113.2	L44 A58 K61 I65	L44-Y48 HydrophobicContact CB-CD2 4.45Å; L44-Y48 HydrophobicContact CD2-CE2 4.14Å; L44-Y48 VanDerWaalsContact O-CD2 3.28Å; L44-Y48 WeakPolarHBondContact O-CD2 3.43Å; L44-Y48 PolarHBondContact O-N 2.87Å; Y48-A58 HydrophobicContact CD1-CB 4.39Å; Y48-K61 HydrophobicContact CD1-CB 4.07Å; Y48-K61 HydrophobicContact CD1-CD 4.17Å; Y48-K61 HydrophobicContact CD2-CB 4.3Å; Y48-K61 HydrophobicContact CE1-CB 4.06Å; Y48-K61 HydrophobicContact CE1-CD 3.4Å; Y48-K61 HydrophobicContact CE1-CG 4.38Å; Y48-K61 HydrophobicContact CE2-CB 4.25Å; Y48-K61 HydrophobicContact CE2-CD 4.37Å; Y48-K61 HydrophobicContact CG-CB 4.21Å; Y48-K61 WeakPolarHBondContact OH-CD 3.43Å; Y48-I65 HydrophobicContact CD2-CD1 4.19Å
49	H	72.1	Confident	75.8	Confident	42 Å²	42	74.5 Å²	74.5	19%	0.194	37%	0.366	C	S	.	.			trans	-64.7	131.4	177.3	-166.6	-91.1	0	0	0	110.5	A45 D51 R52 N53 F108	A45-H49 WeakPolarHBondContact O-CB 3.4Å; A45-H49 PolarHBondContact O-N 2.83Å; H49-D51 VanDerWaalsContact CE1-CB 3.45Å; H49-D51 WeakPolarHBondContact CE1-CB 3.3Å; H49-D51 WeakPolarHBondContact ND1-CB 3.47Å; H49-D51 PolarHBondContact ND1-N 3.06Å; H49-D51 PolarHBondContact O-N 3.04Å; H49-D51 VanDerWaalsContact O-N 3.13Å; H49-R52 PolarHBondContact O-N 2.82Å; H49-N53 PolarHBondContact O-N 3.08Å; H49-F108 AromaticContact CD2-CD1 3.57Å; H49-F108 AromaticContact CD2-CE1 3.46Å; H49-F108 VanDerWaalsContact CD2-CE1 3.46Å; H49-F108 WeakPolarHBondContact CD2-CE1 3.35Å; H49-F108 AromaticContact NE2-CD1 3.75Å
50	P	69.8	Low	75.8	Confident	75 Å²	75	72.5 Å²	72.5	49%	0.487	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.3	-174.7	24.9	-35.3	0	0	0	113.4	F108	P50-F108 HydrophobicContact CG-CD2 4.38Å; P50-F108 HydrophobicContact CG-CE2 3.84Å; P50-F108 HydrophobicContact CG-CZ 3.98Å
51	D	69.1	Low	75.5	Confident	130 Å²	130	76.1 Å²	76.1	70%	0.695	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-34.9	173.7	-168.4	65.8	0	0	0	112.7	H49	H49-D51 VanDerWaalsContact CE1-CB 3.45Å; H49-D51 WeakPolarHBondContact CE1-CB 3.3Å; H49-D51 WeakPolarHBondContact ND1-CB 3.47Å; H49-D51 PolarHBondContact ND1-N 3.06Å; H49-D51 PolarHBondContact O-N 3.04Å; H49-D51 VanDerWaalsContact O-N 3.13Å
52	R	66	Low	75.4	Confident	146 Å²	146	75.9 Å²	75.9	55%	0.551	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-29.3	-174.8	-64.9	-177.7	73	-165.3	11.4	112.9	L46 H49	L46-R52 PolarHBondContact O-NH1 3.41Å; H49-R52 PolarHBondContact O-N 2.82Å
53	N	63.9	Low	75.4	Confident	46 Å²	46	77.4 Å²	77.4	25%	0.246	38%	0.382	C	S	.	.			trans	-126.7	104.7	-175.1	-164.9	-14.1	0	0	0	110.2	H49 E55 A58	H49-N53 PolarHBondContact O-N 3.08Å; N53-E55 PolarHBondContact O-N 3.41Å; N53-E55 WeakPolarHBondContact OD1-CB 3.48Å; N53-E55 WeakPolarHBondContact OD1-CG 3.47Å; N53-E55 PolarHBondContact OD1-N 2.87Å; N53-A58 HydrophobicContact CB-CB 4.12Å
54	K	64.5	Low	75.5	Confident	199 Å²	199	78.3 Å²	78.3	87%	0.865	39%	0.388	S	S	*	.			trans	-84.5	8.8	-179.4	-61.5	-179.3	-178.9	179.2	0	113.3
55	E	67.9	Low	75.6	Confident	125 Å²	125	77 Å²	77	58%	0.584	38%	0.381	S	S	*	.			trans	-69.8	133.6	176.2	-70.4	-77.5	154.8	0	0	110.5	N53 N57 A58	N53-E55 PolarHBondContact O-N 3.41Å; N53-E55 WeakPolarHBondContact OD1-CB 3.48Å; N53-E55 WeakPolarHBondContact OD1-CG 3.47Å; N53-E55 PolarHBondContact OD1-N 2.87Å; E55-N57 PolarHBondContact O-N 3.44Å; E55-A58 VanDerWaalsContact O-CB 3.28Å; E55-A58 WeakPolarHBondContact O-CB 3.22Å; E55-A58 PolarHBondContact O-N 2.96Å
56	A	67	Low	75.7	Confident	90 Å²	90	77 Å²	77	74%	0.744	38%	0.381	S	S	*	.	H	α-helix	trans	-57.6	-23.4	176.9	0	0	0	0	0	113.1
57	N	74.7	Confident	76.1	Confident	105 Å²	105	77.3 Å²	77.3	56%	0.561	38%	0.382	S	S	*	.	H	α-helix	trans	-83.6	-9.8	178.6	-62.9	-44.2	0	0	0	113.7	E55 K61	E55-N57 PolarHBondContact O-N 3.44Å; N57-K61 WeakPolarHBondContact O-CG 3.45Å; N57-K61 PolarHBondContact O-N 3.45Å; N57-K61 VanDerWaalsContact O-N 3.14Å
58	A	73.6	Confident	76.4	Confident	4 Å²	4	71.1 Å²	71.1	3%	0.033	36%	0.355	C	S	.	.	H	α-helix	trans	-68.1	-39.8	179.6	0	0	0	0	0	111.2	Y48 N53 E55 K61 F62	Y48-A58 HydrophobicContact CD1-CB 4.39Å; N53-A58 HydrophobicContact CB-CB 4.12Å; E55-A58 VanDerWaalsContact O-CB 3.28Å; E55-A58 WeakPolarHBondContact O-CB 3.22Å; E55-A58 PolarHBondContact O-N 2.96Å; A58-K61 PolarHBondContact O-N 2.79Å; A58-F62 VanDerWaalsContact O-CB 3.28Å; A58-F62 WeakPolarHBondContact O-CB 3.32Å; A58-F62 PolarHBondContact O-N 2.99Å
59	E	78.4	Confident	76.8	Confident	105 Å²	105	71.7 Å²	71.7	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-63.9	-46.3	177.2	-169	-168.2	147.7	0	0	111.7	K61 F62 R63 F104	E59-K61 PolarHBondContact O-N 3.18Å; E59-F62 PolarHBondContact O-N 3.07Å; E59-R63 PolarHBondContact O-N 3.37Å; E59-R63 IonicContact OE1-CZ 3.99Å; E59-R63 IonicContact OE1-NH2 2.79Å; E59-R63 PolarHBondContact OE1-NH2 3.15Å; E59-F104 HydrophobicContact CG-CD1 4.35Å; E59-F104 HydrophobicContact CG-CE1 3.62Å; E59-F104 HydrophobicContact CG-CE2 4.13Å; E59-F104 HydrophobicContact CG-CZ 3.48Å; E59-F104 VanDerWaalsContact CG-CZ 3.48Å
60	A	82.6	Confident	77.4	Confident	45 Å²	45	73.1 Å²	73.1	37%	0.372	36%	0.364	S	S	.	.	H	α-helix	trans	-60.2	-47.5	178.5	0	0	0	0	0	111.5	F62 R63 E64	A60-F62 VanDerWaalsContact C-N 3.34Å; A60-F62 PolarHBondContact O-N 2.98Å; A60-R63 WeakPolarHBondContact O-CB 3.28Å; A60-R63 PolarHBondContact O-N 3.37Å; A60-E64 WeakPolarHBondContact O-CG 3.4Å; A60-E64 PolarHBondContact O-N 3.27Å; A60-E64 VanDerWaalsContact O-N 3.07Å
61	K	81.7	Confident	78.1	Confident	94 Å²	94	69.8 Å²	69.8	41%	0.409	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-38	176.3	-71.5	-176.2	177.9	-178.4	0	112.5	Y48 N57 A58 E59 R63 E64 I65	Y48-K61 HydrophobicContact CD1-CB 4.07Å; Y48-K61 HydrophobicContact CD1-CD 4.17Å; Y48-K61 HydrophobicContact CD2-CB 4.3Å; Y48-K61 HydrophobicContact CE1-CB 4.06Å; Y48-K61 HydrophobicContact CE1-CD 3.4Å; Y48-K61 HydrophobicContact CE1-CG 4.38Å; Y48-K61 HydrophobicContact CE2-CB 4.25Å; Y48-K61 HydrophobicContact CE2-CD 4.37Å; Y48-K61 HydrophobicContact CG-CB 4.21Å; Y48-K61 WeakPolarHBondContact OH-CD 3.43Å; N57-K61 WeakPolarHBondContact O-CG 3.45Å; N57-K61 PolarHBondContact O-N 3.45Å; N57-K61 VanDerWaalsContact O-N 3.14Å; A58-K61 PolarHBondContact O-N 2.79Å; E59-K61 PolarHBondContact O-N 3.18Å; K61-R63 VanDerWaalsContact C-N 3.32Å; K61-E64 PolarHBondContact O-N 3.07Å; K61-I65 WeakPolarHBondContact O-CG1 3.47Å; K61-I65 WeakPolarHBondContact O-CG2 3.38Å; K61-I65 PolarHBondContact O-N 2.83Å; K61-I65 VanDerWaalsContact O-N 3.07Å
62	F	83.2	Confident	78.9	Confident	1 Å²	1	63.7 Å²	63.7	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-40.7	175.8	-170.7	-93.8	0	0	0	111.6	A45 A58 E59 A60 E64 I65 A66 F102 F104 F107 F108	A45-F62 HydrophobicContact CB-CE2 3.8Å; A58-F62 VanDerWaalsContact O-CB 3.28Å; A58-F62 WeakPolarHBondContact O-CB 3.32Å; A58-F62 PolarHBondContact O-N 2.99Å; E59-F62 PolarHBondContact O-N 3.07Å; A60-F62 VanDerWaalsContact C-N 3.34Å; A60-F62 PolarHBondContact O-N 2.98Å; F62-E64 PolarHBondContact O-N 3.23Å; F62-I65 HydrophobicContact CD2-CD1 3.86Å; F62-I65 HydrophobicContact CD2-CG1 4.41Å; F62-I65 HydrophobicContact CE2-CD1 4.37Å; F62-I65 HydrophobicContact CG-CD1 4.48Å; F62-I65 WeakPolarHBondContact O-CG1 3.29Å; F62-I65 PolarHBondContact O-N 3.44Å; F62-A66 VanDerWaalsContact O-CB 3.24Å; F62-A66 WeakPolarHBondContact O-CB 3.3Å; F62-A66 PolarHBondContact O-N 2.98Å; F62-F102 AromaticContact CD1-CE1 3.77Å; F62-F102 HydrophobicContact CD1-CE1 3.77Å; F62-F102 HydrophobicContact CD1-CZ 4.19Å; F62-F102 AromaticContact CE1-CE1 3.51Å; F62-F102 HydrophobicContact CE1-CE1 3.51Å; F62-F102 AromaticContact CE1-CZ 3.59Å; F62-F102 HydrophobicContact CE1-CZ 3.59Å; F62-F104 HydrophobicContact CB-CE1 4.21Å; F62-F104 AromaticContact CD1-CD1 3.47Å; F62-F104 HydrophobicContact CD1-CD1 3.47Å; F62-F104 VanDerWaalsContact CD1-CD1 3.47Å; F62-F104 AromaticContact CD1-CE1 3.56Å; F62-F104 HydrophobicContact CD1-CE1 3.56Å; F62-F104 AromaticContact CE1-CD1 3.97Å; F62-F104 HydrophobicContact CE1-CD1 3.97Å; F62-F104 HydrophobicContact CE1-CE1 4.45Å; F62-F104 HydrophobicContact CG-CD1 4.47Å; F62-F104 HydrophobicContact CG-CE1 4.33Å; F62-F107 AromaticContact CE1-CD1 3.77Å; F62-F107 HydrophobicContact CE1-CD1 3.77Å; F62-F107 HydrophobicContact CE1-CE1 4.23Å; F62-F107 AromaticContact CZ-CD1 3.5Å; F62-F107 HydrophobicContact CZ-CD1 3.5Å; F62-F107 AromaticContact CZ-CE1 3.62Å; F62-F107 HydrophobicContact CZ-CE1 3.62Å; F62-F108 HydrophobicContact CD1-CE1 4.43Å; F62-F108 HydrophobicContact CD1-CE2 4.02Å; F62-F108 AromaticContact CD1-CZ 3.64Å; F62-F108 HydrophobicContact CD1-CZ 3.64Å; F62-F108 AromaticContact CD2-CE1 3.99Å; F62-F108 HydrophobicContact CD2-CE1 3.99Å; F62-F108 AromaticContact CD2-CZ 3.7Å; F62-F108 HydrophobicContact CD2-CZ 3.7Å; F62-F108 HydrophobicContact CE1-CD1 4.41Å; F62-F108 HydrophobicContact CE1-CD2 4.34Å; F62-F108 AromaticContact CE1-CE1 3.76Å; F62-F108 HydrophobicContact CE1-CE1 3.76Å; F62-F108 AromaticContact CE1-CE2 3.65Å; F62-F108 HydrophobicContact CE1-CE2 3.65Å; F62-F108 AromaticContact CE1-CZ 3.29Å; F62-F108 HydrophobicContact CE1-CZ 3.29Å; F62-F108 HydrophobicContact CE2-CD1 4.29Å; F62-F108 AromaticContact CE2-CE1 3.29Å; F62-F108 HydrophobicContact CE2-CE1 3.29Å; F62-F108 AromaticContact CE2-CZ 3.42Å; F62-F108 HydrophobicContact CE2-CZ 3.42Å; F62-F108 VanDerWaalsContact CE2-CZ 3.42Å; F62-F108 AromaticContact CG-CZ 3.8Å; F62-F108 HydrophobicContact CG-CZ 3.8Å; F62-F108 AromaticContact CZ-CD1 3.81Å; F62-F108 HydrophobicContact CZ-CD1 3.81Å; F62-F108 AromaticContact CZ-CE1 3.14Å; F62-F108 HydrophobicContact CZ-CE1 3.14Å; F62-F108 AromaticContact CZ-CE2 3.95Å; F62-F108 HydrophobicContact CZ-CE2 3.95Å; F62-F108 HydrophobicContact CZ-CG 4.44Å; F62-F108 AromaticContact CZ-CZ 3.2Å; F62-F108 HydrophobicContact CZ-CZ 3.2Å
63	R	83.1	Confident	79.7	Confident	119 Å²	119	58 Å²	58	45%	0.449	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-47.6	174.7	-160	177.2	-64.8	169.1	4.3	111.4	E59 A60 K61 I65 A66 E67 F104	E59-R63 PolarHBondContact O-N 3.37Å; E59-R63 IonicContact OE1-CZ 3.99Å; E59-R63 IonicContact OE1-NH2 2.79Å; E59-R63 PolarHBondContact OE1-NH2 3.15Å; A60-R63 WeakPolarHBondContact O-CB 3.28Å; A60-R63 PolarHBondContact O-N 3.37Å; K61-R63 VanDerWaalsContact C-N 3.32Å; R63-I65 PolarHBondContact O-N 3.23Å; R63-A66 PolarHBondContact O-N 3.49Å; R63-E67 WeakPolarHBondContact O-CB 3.26Å; R63-E67 PolarHBondContact O-N 2.82Å; R63-F104 HydrophobicContact CB-CE1 4.3Å; R63-F104 HydrophobicContact CB-CZ 3.82Å; R63-F104 HydrophobicContact CG-CZ 4.06Å
64	E	84.4	Confident	80.7	Confident	90 Å²	90	58.3 Å²	58.3	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-42.6	-179.7	-73.9	173.6	-153.2	0	0	113.1	R25 A60 K61 F62 A68	R25-E64 WeakPolarHBondContact CD-O 3.25Å; R25-E64 PolarHBondContact NH1-O 2.82Å; A60-E64 WeakPolarHBondContact O-CG 3.4Å; A60-E64 PolarHBondContact O-N 3.27Å; A60-E64 VanDerWaalsContact O-N 3.07Å; K61-E64 PolarHBondContact O-N 3.07Å; F62-E64 PolarHBondContact O-N 3.23Å; E64-A68 WeakPolarHBondContact O-CB 3.29Å; E64-A68 PolarHBondContact O-N 3.05Å; E64-A68 VanDerWaalsContact O-N 3.17Å
65	I	86.8	Confident	81.6	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-72.5	-32.7	178	63.2	175.8	0	0	0	112.1	L26 F41 L44 Y48 K61 F62 R63 Y69	L26-I65 HydrophobicContact CD2-CB 4.08Å; F41-I65 HydrophobicContact CD2-CB 4.48Å; F41-I65 HydrophobicContact CD2-CG1 4.5Å; F41-I65 HydrophobicContact CE2-CB 4.41Å; F41-I65 HydrophobicContact CE2-CD1 4.2Å; F41-I65 HydrophobicContact CE2-CG1 4Å; L44-I65 HydrophobicContact CB-CD1 3.67Å; L44-I65 HydrophobicContact CB-CG2 4.38Å; L44-I65 HydrophobicContact CD1-CG2 3.92Å; Y48-I65 HydrophobicContact CD2-CD1 4.19Å; K61-I65 WeakPolarHBondContact O-CG1 3.47Å; K61-I65 WeakPolarHBondContact O-CG2 3.38Å; K61-I65 PolarHBondContact O-N 2.83Å; K61-I65 VanDerWaalsContact O-N 3.07Å; F62-I65 HydrophobicContact CD2-CD1 3.86Å; F62-I65 HydrophobicContact CD2-CG1 4.41Å; F62-I65 HydrophobicContact CE2-CD1 4.37Å; F62-I65 HydrophobicContact CG-CD1 4.48Å; F62-I65 WeakPolarHBondContact O-CG1 3.29Å; F62-I65 PolarHBondContact O-N 3.44Å; R63-I65 PolarHBondContact O-N 3.23Å; I65-Y69 WeakPolarHBondContact O-CB 3.47Å; I65-Y69 PolarHBondContact O-N 3.26Å
66	A	85.4	Confident	82.2	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-72.4	-42.8	179.6	0	0	0	0	0	111.3	F41 F62 R63 A68 Y69 E70 F102	F41-A66 HydrophobicContact CE2-CB 4.41Å; F62-A66 VanDerWaalsContact O-CB 3.24Å; F62-A66 WeakPolarHBondContact O-CB 3.3Å; F62-A66 PolarHBondContact O-N 2.98Å; R63-A66 PolarHBondContact O-N 3.49Å; A66-A68 VanDerWaalsContact C-N 3.32Å; A66-A68 PolarHBondContact O-N 3.37Å; A66-Y69 PolarHBondContact O-N 3.2Å; A66-E70 PolarHBondContact O-N 3.24Å; A66-F102 HydrophobicContact CB-CD2 4.22Å; A66-F102 HydrophobicContact CB-CE1 3.96Å; A66-F102 HydrophobicContact CB-CE2 3.44Å; A66-F102 VanDerWaalsContact CB-CE2 3.44Å; A66-F102 HydrophobicContact CB-CZ 3.26Å
67	E	84.3	Confident	83	Confident	32 Å²	32	52.3 Å²	52.3	15%	0.15	26%	0.26	C	S	.	.	H	α-helix	trans	-56.6	-47.7	170.8	-175.9	-175.7	-160.4	0	0	110.8	Y22 R25 R63 Y69 E70 V71 Q91	Y22-E67 HydrophobicContact CE1-CG 3.95Å; R25-E67 IonicContact CZ-OE2 3.79Å; R25-E67 IonicContact NH1-OE2 2.73Å; R25-E67 PolarHBondContact NH1-OE2 3.47Å; R25-E67 IonicContact NH2-OE2 3.98Å; R63-E67 WeakPolarHBondContact O-CB 3.26Å; R63-E67 PolarHBondContact O-N 2.82Å; E67-Y69 VanDerWaalsContact C-N 3.34Å; E67-Y69 PolarHBondContact O-N 2.93Å; E67-E70 PolarHBondContact O-N 3.35Å; E67-V71 PolarHBondContact O-N 2.87Å; E67-Q91 PolarHBondContact OE1-NE2 2.76Å
68	A	86.8	Confident	83.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-43.6	177	0	0	0	0	0	112.4	Y22 R25 L26 E64 A66 V71 L72	Y22-A68 VanDerWaalsContact CD1-CA 3.5Å; Y22-A68 HydrophobicContact CD1-CB 3.7Å; Y22-A68 HydrophobicContact CG-CB 4.08Å; R25-A68 HydrophobicContact CB-CB 4.1Å; L26-A68 HydrophobicContact CD1-CB 4.36Å; L26-A68 HydrophobicContact CD2-CB 4.45Å; L26-A68 HydrophobicContact CG-CB 4.01Å; E64-A68 WeakPolarHBondContact O-CB 3.29Å; E64-A68 PolarHBondContact O-N 3.05Å; E64-A68 VanDerWaalsContact O-N 3.17Å; A66-A68 VanDerWaalsContact C-N 3.32Å; A66-A68 PolarHBondContact O-N 3.37Å; A68-V71 PolarHBondContact O-N 3.44Å; A68-L72 VanDerWaalsContact O-CB 3.29Å; A68-L72 WeakPolarHBondContact O-CB 3.36Å; A68-L72 VanDerWaalsContact O-CG 3.25Å; A68-L72 WeakPolarHBondContact O-CG 3.46Å; A68-L72 PolarHBondContact O-N 3.03Å
69	Y	87.6	Confident	83.8	Confident	49 Å²	49	56 Å²	56	19%	0.192	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-40.3	179	175.7	-104.3	0	0	0	112.6	I37 K38 F41 I65 A66 E67 V71 L72 S73 F107	I37-Y69 HydrophobicContact CG2-CD2 4.13Å; K38-Y69 HydrophobicContact CB-CE2 4.39Å; K38-Y69 WeakPolarHBondContact CE-OH 3.25Å; K38-Y69 HydrophobicContact CG-CE2 3.63Å; F41-Y69 HydrophobicContact CB-CD2 3.6Å; F41-Y69 HydrophobicContact CB-CE2 4.18Å; F41-Y69 HydrophobicContact CB-CG 4.09Å; F41-Y69 HydrophobicContact CD1-CD1 4.25Å; F41-Y69 HydrophobicContact CD1-CD2 4.11Å; F41-Y69 HydrophobicContact CD1-CE1 4.49Å; F41-Y69 HydrophobicContact CD1-CE2 4.36Å; F41-Y69 HydrophobicContact CD1-CG 4.05Å; F41-Y69 HydrophobicContact CD2-CD1 4.38Å; F41-Y69 HydrophobicContact CD2-CD2 4.12Å; F41-Y69 AromaticContact CD2-CG 3.71Å; F41-Y69 HydrophobicContact CD2-CG 3.71Å; F41-Y69 HydrophobicContact CE1-CD1 4.47Å; F41-Y69 HydrophobicContact CE2-CG 4.24Å; F41-Y69 HydrophobicContact CG-CD1 4.24Å; F41-Y69 AromaticContact CG-CD2 3.62Å; F41-Y69 HydrophobicContact CG-CD2 3.62Å; F41-Y69 HydrophobicContact CG-CE2 4.26Å; F41-Y69 AromaticContact CG-CG 3.61Å; F41-Y69 HydrophobicContact CG-CG 3.61Å; I65-Y69 WeakPolarHBondContact O-CB 3.47Å; I65-Y69 PolarHBondContact O-N 3.26Å; A66-Y69 PolarHBondContact O-N 3.2Å; E67-Y69 VanDerWaalsContact C-N 3.34Å; E67-Y69 PolarHBondContact O-N 2.93Å; Y69-V71 VanDerWaalsContact C-N 3.33Å; Y69-V71 PolarHBondContact O-N 2.97Å; Y69-L72 PolarHBondContact O-N 3.11Å; Y69-S73 WeakPolarHBondContact O-CB 3.34Å; Y69-S73 PolarHBondContact O-N 2.95Å; Y69-S73 PolarHBondContact O-OG 2.93Å; Y69-F107 HydrophobicContact CD1-CE2 4.38Å; Y69-F107 HydrophobicContact CD1-CZ 4.44Å
70	E	85	Confident	83.8	Confident	73 Å²	73	55.3 Å²	55.3	34%	0.341	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-42.5	178.7	-171.9	-179.9	134.7	0	0	111.8	A66 E67 S73 K77 F100	A66-E70 PolarHBondContact O-N 3.24Å; E67-E70 PolarHBondContact O-N 3.35Å; E70-S73 PolarHBondContact O-OG 3.15Å; E70-K77 IonicContact OE1-NZ 2.7Å; E70-K77 PolarHBondContact OE1-NZ 3.5Å; E70-F100 HydrophobicContact CB-CZ 4.23Å; E70-F100 WeakPolarHBondContact OE2-CE2 3.42Å; E70-F100 WeakPolarHBondContact OE2-CZ 3.39Å
71	V	84.9	Confident	83.6	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.03	25%	0.249	C	C	.	.	H	α-helix	trans	-71	-40.7	179.1	179.9	0	0	0	0	111.5	Y22 E67 A68 Y69 K77 R78 Y81 Y90	Y22-V71 HydrophobicContact CD2-CB 3.86Å; Y22-V71 HydrophobicContact CD2-CG1 3.75Å; Y22-V71 HydrophobicContact CD2-CG2 4.26Å; Y22-V71 HydrophobicContact CE2-CB 3.78Å; Y22-V71 HydrophobicContact CE2-CG1 3.68Å; Y22-V71 HydrophobicContact CE2-CG2 3.69Å; E67-V71 PolarHBondContact O-N 2.87Å; A68-V71 PolarHBondContact O-N 3.44Å; Y69-V71 VanDerWaalsContact C-N 3.33Å; Y69-V71 PolarHBondContact O-N 2.97Å; V71-K77 HydrophobicContact CG1-CB 4.28Å; V71-K77 CarbonylContact O-C 3.5Å; V71-K77 VanDerWaalsContact O-CB 3.27Å; V71-K77 WeakPolarHBondContact O-CB 3.48Å; V71-R78 PolarHBondContact O-N 2.7Å; V71-R78 VanDerWaalsContact O-N 3.08Å; V71-Y81 HydrophobicContact CG1-CD2 4.23Å; V71-Y81 HydrophobicContact CG1-CG 4.15Å; V71-Y90 HydrophobicContact CG1-CE1 4.32Å; V71-Y90 HydrophobicContact CG1-CE2 4.47Å; V71-Y90 HydrophobicContact CG2-CD1 4.2Å; V71-Y90 HydrophobicContact CG2-CE1 3.57Å
72	L	85.3	Confident	83.6	Confident	2 Å²	2	53 Å²	53	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-83.9	-20.4	-175	-66.6	179.2	0	0	0	114.3	Y23 L26 I37 A68 Y69 R78 Y81	Y23-L72 HydrophobicContact CD1-CD1 3.9Å; Y23-L72 HydrophobicContact CD1-CD2 4.14Å; Y23-L72 HydrophobicContact CD2-CD2 4.32Å; Y23-L72 HydrophobicContact CE1-CD1 4.14Å; Y23-L72 HydrophobicContact CE1-CD2 3.61Å; Y23-L72 HydrophobicContact CE1-CG 4.5Å; Y23-L72 HydrophobicContact CE2-CD2 3.82Å; Y23-L72 HydrophobicContact CG-CD1 4.2Å; Y23-L72 HydrophobicContact CG-CD2 4.48Å; Y23-L72 VanDerWaalsContact CZ-CD2 3.44Å; L26-L72 HydrophobicContact CD1-CD1 3.8Å; I37-L72 HydrophobicContact CD1-CB 4.21Å; I37-L72 HydrophobicContact CG2-CB 3.96Å; A68-L72 VanDerWaalsContact O-CB 3.29Å; A68-L72 WeakPolarHBondContact O-CB 3.36Å; A68-L72 VanDerWaalsContact O-CG 3.25Å; A68-L72 WeakPolarHBondContact O-CG 3.46Å; A68-L72 PolarHBondContact O-N 3.03Å; Y69-L72 PolarHBondContact O-N 3.11Å; L72-R78 HydrophobicContact CD2-CG 4.18Å; L72-Y81 HydrophobicContact CD2-CD1 4.49Å
73	S	82.1	Confident	83.2	Confident	27 Å²	27	59.6 Å²	59.6	19%	0.189	28%	0.284	C	S	.	.	H	α-helix	trans	-78.1	-30.1	180	59.9	0	0	0	0	113.4	Y69 E70	Y69-S73 WeakPolarHBondContact O-CB 3.34Å; Y69-S73 PolarHBondContact O-N 2.95Å; Y69-S73 PolarHBondContact O-OG 2.93Å; E70-S73 PolarHBondContact O-OG 3.15Å
74	D	84.4	Confident	82.6	Confident	52 Å²	52	57.8 Å²	57.8	28%	0.278	28%	0.278	S	S	.	.	S	Bend	trans	-89.1	119.5	175.3	-175.2	-30.4	0	0	0	109.7	Q76 K77 R78	D74-Q76 PolarHBondContact O-N 3.1Å; D74-Q76 WeakPolarHBondContact OD1-CA 2.96Å; D74-Q76 VanDerWaalsContact OD1-CB 3.29Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.34Å; D74-Q76 PolarHBondContact OD1-N 2.85Å; D74-K77 HydrophobicContact CB-CB 3.99Å; D74-K77 HydrophobicContact CB-CD 4.01Å; D74-K77 HydrophobicContact CB-CG 3.92Å; D74-K77 PolarHBondContact O-N 2.77Å; D74-K77 VanDerWaalsContact O-N 3.15Å; D74-R78 WeakPolarHBondContact O-CB 3.03Å; D74-R78 PolarHBondContact O-N 3.14Å
75	P	83.4	Confident	81.5	Confident	92 Å²	92	55.5 Å²	55.5	60%	0.597	28%	0.278	S	S	*	.	H	α-helix	trans	-60.3	-28.1	-179.6	25.6	-34.8	0	0	0	113	K79	P75-K79 VanDerWaalsContact O-CB 3.3Å; P75-K79 WeakPolarHBondContact O-CB 3.25Å; P75-K79 PolarHBondContact O-N 3.43Å; P75-K79 VanDerWaalsContact O-N 3.07Å
76	Q	82	Confident	80.3	Confident	143 Å²	143	58.1 Å²	58.1	67%	0.668	29%	0.293	S	S	*	.	H	α-helix	trans	-71.8	-47.3	175.5	-59.6	-172.7	-43.6	0	0	110.9	D74 K79 Q80	D74-Q76 PolarHBondContact O-N 3.1Å; D74-Q76 WeakPolarHBondContact OD1-CA 2.96Å; D74-Q76 VanDerWaalsContact OD1-CB 3.29Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.34Å; D74-Q76 PolarHBondContact OD1-N 2.85Å; Q76-K79 PolarHBondContact O-N 3.3Å; Q76-Q80 WeakPolarHBondContact O-CG 3.44Å; Q76-Q80 PolarHBondContact O-N 3.08Å
77	K	83.1	Confident	79	Confident	52 Å²	52	58.2 Å²	58.2	23%	0.226	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-40.7	177.4	-66.5	-177.2	178.2	173.9	0	111.7	E70 V71 D74 K79 Q80 Y81	E70-K77 IonicContact OE1-NZ 2.7Å; E70-K77 PolarHBondContact OE1-NZ 3.5Å; V71-K77 HydrophobicContact CG1-CB 4.28Å; V71-K77 CarbonylContact O-C 3.5Å; V71-K77 VanDerWaalsContact O-CB 3.27Å; V71-K77 WeakPolarHBondContact O-CB 3.48Å; D74-K77 HydrophobicContact CB-CB 3.99Å; D74-K77 HydrophobicContact CB-CD 4.01Å; D74-K77 HydrophobicContact CB-CG 3.92Å; D74-K77 PolarHBondContact O-N 2.77Å; D74-K77 VanDerWaalsContact O-N 3.15Å; K77-K79 PolarHBondContact O-N 2.6Å; K77-Q80 WeakPolarHBondContact O-CB 3.19Å; K77-Q80 PolarHBondContact O-N 3.35Å; K77-Y81 WeakPolarHBondContact O-CB 3.26Å; K77-Y81 PolarHBondContact O-N 3.43Å
78	R	84.2	Confident	77.7	Confident	47 Å²	47	62.6 Å²	62.6	18%	0.177	31%	0.314	C	S	.	.	H	α-helix	trans	-59.2	-47.1	174.2	-178.1	178.2	176.8	172	1.6	111.2	Y23 R30 A32 V71 L72 D74 Q80 Y81 D82	Y23-R78 WeakPolarHBondContact OH-CG 3.01Å; Y23-R78 PolarHBondContact OH-NE 2.76Å; R30-R78 PolarHBondContact O-NH2 2.77Å; A32-R78 PolarHBondContact O-NH1 3.14Å; A32-R78 PolarHBondContact O-NH2 3.41Å; V71-R78 PolarHBondContact O-N 2.7Å; V71-R78 VanDerWaalsContact O-N 3.08Å; L72-R78 HydrophobicContact CD2-CG 4.18Å; D74-R78 WeakPolarHBondContact O-CB 3.03Å; D74-R78 PolarHBondContact O-N 3.14Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; R78-Q80 PolarHBondContact O-N 3.04Å; R78-Y81 WeakPolarHBondContact O-CB 3.48Å; R78-Y81 PolarHBondContact O-N 2.91Å; R78-D82 IonicContact NE-OD2 3.97Å; R78-D82 WeakPolarHBondContact O-CB 3.32Å; R78-D82 PolarHBondContact O-N 2.97Å
79	K	81.5	Confident	76.2	Confident	139 Å²	139	67 Å²	67	60%	0.604	33%	0.334	S	S	*	.	H	α-helix	trans	-61.4	-42.9	176.4	-174.7	179.9	179.6	-178	0	111.7	P75 Q76 K77 D82 M83	P75-K79 VanDerWaalsContact O-CB 3.3Å; P75-K79 WeakPolarHBondContact O-CB 3.25Å; P75-K79 PolarHBondContact O-N 3.43Å; P75-K79 VanDerWaalsContact O-N 3.07Å; Q76-K79 PolarHBondContact O-N 3.3Å; K77-K79 PolarHBondContact O-N 2.6Å; K79-D82 PolarHBondContact O-N 3.32Å; K79-M83 HydrophobicContact CG-CG 4.47Å; K79-M83 HydrophobicContact CG-SD 4.24Å; K79-M83 WeakPolarHBondContact O-CB 3.45Å; K79-M83 WeakPolarHBondContact O-CG 3.09Å; K79-M83 PolarHBondContact O-N 3.18Å
80	Q	78.9	Confident	74.8	Confident	91 Å²	91	66.1 Å²	66.1	43%	0.425	33%	0.331	S	S	.	.	H	α-helix	trans	-60.2	-48.3	174.9	-72.9	174.8	-3.5	0	0	110.8	Q76 K77 R78 D82 M83 Y84 Y90	Q76-Q80 WeakPolarHBondContact O-CG 3.44Å; Q76-Q80 PolarHBondContact O-N 3.08Å; K77-Q80 WeakPolarHBondContact O-CB 3.19Å; K77-Q80 PolarHBondContact O-N 3.35Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; R78-Q80 PolarHBondContact O-N 3.04Å; Q80-D82 PolarHBondContact O-N 2.73Å; Q80-M83 PolarHBondContact O-N 2.92Å; Q80-M83 VanDerWaalsContact O-N 3.14Å; Q80-Y84 HydrophobicContact CB-CD2 4.15Å; Q80-Y84 HydrophobicContact CB-CE2 4.05Å; Q80-Y84 HydrophobicContact CG-CE2 4.36Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.29Å; Q80-Y84 PolarHBondContact O-N 2.83Å; Q80-Y90 HydrophobicContact CB-CE2 4.34Å
81	Y	78.1	Confident	73.4	Confident	5 Å²	5	67.2 Å²	67.2	2%	0.02	34%	0.336	C	S	.	.	H	α-helix	trans	-56.2	-48.3	176.1	178	-96	0	0	0	112.4	D21 Y22 Y23 V71 L72 K77 R78 M83 Y84 G85 A87	D21-Y81 WeakPolarHBondContact CA-OH 3.38Å; D21-Y81 PolarHBondContact OD1-OH 2.88Å; Y22-Y81 HydrophobicContact CD2-CD1 4.42Å; Y22-Y81 AromaticContact CD2-CD2 3.33Å; Y22-Y81 HydrophobicContact CD2-CD2 3.33Å; Y22-Y81 HydrophobicContact CD2-CE1 4.29Å; Y22-Y81 AromaticContact CD2-CE2 3.09Å; Y22-Y81 HydrophobicContact CD2-CE2 3.09Å; Y22-Y81 AromaticContact CD2-CG 3.99Å; Y22-Y81 HydrophobicContact CD2-CG 3.99Å; Y22-Y81 AromaticContact CD2-CZ 3.65Å; Y22-Y81 AromaticContact CE2-CD2 3.38Å; Y22-Y81 HydrophobicContact CE2-CD2 3.38Å; Y22-Y81 AromaticContact CE2-CE2 3.33Å; Y22-Y81 HydrophobicContact CE2-CE2 3.33Å; Y22-Y81 HydrophobicContact CE2-CG 4.34Å; Y22-Y81 HydrophobicContact CG-CE2 4.02Å; Y22-Y81 PolarHBondContact N-OH 2.78Å; Y23-Y81 AromaticContact CD2-CE1 3.98Å; Y23-Y81 HydrophobicContact CD2-CE1 3.98Å; Y23-Y81 AromaticContact CE2-CD1 3.97Å; Y23-Y81 HydrophobicContact CE2-CD1 3.97Å; Y23-Y81 AromaticContact CE2-CE1 3.66Å; Y23-Y81 HydrophobicContact CE2-CE1 3.66Å; V71-Y81 HydrophobicContact CG1-CD2 4.23Å; V71-Y81 HydrophobicContact CG1-CG 4.15Å; L72-Y81 HydrophobicContact CD2-CD1 4.49Å; K77-Y81 WeakPolarHBondContact O-CB 3.26Å; K77-Y81 PolarHBondContact O-N 3.43Å; R78-Y81 WeakPolarHBondContact O-CB 3.48Å; R78-Y81 PolarHBondContact O-N 2.91Å; Y81-M83 VanDerWaalsContact C-N 3.26Å; Y81-M83 PolarHBondContact O-N 3.42Å; Y81-Y84 PolarHBondContact O-N 3.4Å; Y81-G85 PolarHBondContact O-N 3.34Å; Y81-A87 HydrophobicContact CE2-CB 3.89Å
82	D	80.5	Confident	71.9	Confident	86 Å²	86	74.7 Å²	74.7	46%	0.46	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-30.9	178.7	-64.9	-23.4	0	0	0	111.8	Y23 R78 K79 Q80	Y23-D82 PolarHBondContact OH-OD1 3Å; Y23-D82 PolarHBondContact OH-OD2 3.24Å; R78-D82 IonicContact NE-OD2 3.97Å; R78-D82 WeakPolarHBondContact O-CB 3.32Å; R78-D82 PolarHBondContact O-N 2.97Å; K79-D82 PolarHBondContact O-N 3.32Å; Q80-D82 PolarHBondContact O-N 2.73Å
83	M	76	Confident	70.3	Confident	139 Å²	139	82.3 Å²	82.3	69%	0.685	40%	0.4	S	S	*	.	H	α-helix	trans	-77	-39.8	175.9	-74.6	-175	74.7	0	0	113.4	K79 Q80 Y81	K79-M83 HydrophobicContact CG-CG 4.47Å; K79-M83 HydrophobicContact CG-SD 4.24Å; K79-M83 WeakPolarHBondContact O-CB 3.45Å; K79-M83 WeakPolarHBondContact O-CG 3.09Å; K79-M83 PolarHBondContact O-N 3.18Å; Q80-M83 PolarHBondContact O-N 2.92Å; Q80-M83 VanDerWaalsContact O-N 3.14Å; Y81-M83 VanDerWaalsContact C-N 3.26Å; Y81-M83 PolarHBondContact O-N 3.42Å
84	Y	70	Confident	69.1	Low	82 Å²	82	84.1 Å²	84.1	32%	0.322	42%	0.417	S	S	.	.	H	α-helix	trans	-85.9	-9.5	-178.2	-64.8	-64.8	0	0	0	113.2	Q80 Y81 N86 Q89 Y93	Q80-Y84 HydrophobicContact CB-CD2 4.15Å; Q80-Y84 HydrophobicContact CB-CE2 4.05Å; Q80-Y84 HydrophobicContact CG-CE2 4.36Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.29Å; Q80-Y84 PolarHBondContact O-N 2.83Å; Y81-Y84 PolarHBondContact O-N 3.4Å; Y84-N86 VanDerWaalsContact C-N 3.28Å; Y84-N86 PolarHBondContact O-N 3Å; Y84-N86 VanDerWaalsContact O-N 3.11Å; Y84-Q89 PolarHBondContact O-OE1 3.14Å; Y84-Y93 HydrophobicContact CE1-CD2 4.1Å; Y84-Y93 HydrophobicContact CE1-CE1 4.38Å; Y84-Y93 AromaticContact CE1-CE2 3.93Å; Y84-Y93 HydrophobicContact CE1-CE2 3.93Å; Y84-Y93 HydrophobicContact CE1-CG 4.39Å; Y84-Y93 HydrophobicContact CE2-CD1 4.27Å; Y84-Y93 AromaticContact CZ-CE1 3.86Å; Y84-Y93 AromaticContact CZ-CZ 3.98Å; Y84-Y93 WeakPolarHBondContact OH-CE1 3.06Å
85	G	61.5	Low	67.2	Low	41 Å²	41	83.9 Å²	83.9	42%	0.423	43%	0.427	S	S	.	.			trans	76.9	-7	160.5	0	0	0	0	0	117	Y81	Y81-G85 PolarHBondContact O-N 3.34Å
86	N	60.4	Low	65.2	Low	63 Å²	63	86.5 Å²	86.5	34%	0.337	44%	0.436	S	S	.	.	S	Bend	trans	-156.1	145.6	175.1	-70.1	-67.3	0	0	0	111.9	Y84 E88 Q89 Y90	Y84-N86 VanDerWaalsContact C-N 3.28Å; Y84-N86 PolarHBondContact O-N 3Å; Y84-N86 VanDerWaalsContact O-N 3.11Å; N86-E88 PolarHBondContact O-N 3.34Å; N86-Q89 HydrophobicContact CB-CB 4.43Å; N86-Q89 PolarHBondContact ND2-OE1 3.08Å; N86-Q89 PolarHBondContact O-N 3.27Å; N86-Q89 VanDerWaalsContact O-N 3.17Å; N86-Y90 PolarHBondContact O-N 3.32Å
87	A	59.5	Low	63.3	Low	3 Å²	3	84.2 Å²	84.2	3%	0.025	45%	0.451	C	S	.	.	H	α-helix	trans	-57.9	-35.4	172.5	0	0	0	0	0	112.6	S20 Y22 Y81 Q89 Y90 Q91	S20-A87 WeakPolarHBondContact O-CB 3.47Å; Y22-A87 HydrophobicContact CD2-CB 4.48Å; Y22-A87 HydrophobicContact CE1-CB 4.01Å; Y22-A87 HydrophobicContact CE2-CB 3.95Å; Y81-A87 HydrophobicContact CE2-CB 3.89Å; A87-Q89 PolarHBondContact O-N 3.43Å; A87-Y90 PolarHBondContact O-N 3.25Å; A87-Q91 WeakPolarHBondContact O-CB 3.41Å; A87-Q91 WeakPolarHBondContact O-CG 3.34Å; A87-Q91 PolarHBondContact O-N 3.49Å
88	E	56.1	Low	61.1	Low	123 Å²	123	84.4 Å²	84.4	58%	0.575	47%	0.467	S	S	*	.	H	α-helix	trans	-65.4	-38	178.5	-69.4	170.1	77.7	0	0	112.1	S20 N86 Q92	S20-E88 PolarHBondContact OG-OE2 2.8Å; N86-E88 PolarHBondContact O-N 3.34Å; E88-Q92 PolarHBondContact O-N 2.92Å; E88-Q92 VanDerWaalsContact O-N 3.09Å
89	Q	54.8	Low	59.2	Low	94 Å²	94	85.1 Å²	85.1	44%	0.439	49%	0.489	S	S	.	.	H	α-helix	trans	-75.6	-35.3	176.1	-77.1	166.7	-48.1	0	0	111.5	Y84 N86 A87 Q92 Y93	Y84-Q89 PolarHBondContact O-OE1 3.14Å; N86-Q89 HydrophobicContact CB-CB 4.43Å; N86-Q89 PolarHBondContact ND2-OE1 3.08Å; N86-Q89 PolarHBondContact O-N 3.27Å; N86-Q89 VanDerWaalsContact O-N 3.17Å; A87-Q89 PolarHBondContact O-N 3.43Å; Q89-Q92 PolarHBondContact O-N 3.36Å; Q89-Y93 WeakPolarHBondContact O-CB 3.44Å; Q89-Y93 PolarHBondContact O-N 3.48Å
90	Y	58.2	Low	57.7	Low	29 Å²	29	82.6 Å²	82.6	11%	0.114	48%	0.478	C	S	.	.	H	α-helix	trans	-62.9	-42.8	171	-178.9	-93.3	0	0	0	111.5	Y22 V71 Q80 N86 A87 Q92 Y93 A94	Y22-Y90 HydrophobicContact CE2-CD1 4.43Å; V71-Y90 HydrophobicContact CG1-CE1 4.32Å; V71-Y90 HydrophobicContact CG1-CE2 4.47Å; V71-Y90 HydrophobicContact CG2-CD1 4.2Å; V71-Y90 HydrophobicContact CG2-CE1 3.57Å; Q80-Y90 HydrophobicContact CB-CE2 4.34Å; N86-Y90 PolarHBondContact O-N 3.32Å; A87-Y90 PolarHBondContact O-N 3.25Å; Y90-Q92 VanDerWaalsContact C-N 3.26Å; Y90-Q92 PolarHBondContact O-N 3.48Å; Y90-Y93 PolarHBondContact O-N 2.85Å; Y90-Y93 VanDerWaalsContact O-N 3.17Å; Y90-A94 HydrophobicContact CD1-CB 4.49Å; Y90-A94 HydrophobicContact CE1-CB 4.24Å; Y90-A94 WeakPolarHBondContact O-CB 3.27Å; Y90-A94 PolarHBondContact O-N 3.37Å
91	Q	56.5	Low	56.3	Low	97 Å²	97	85.2 Å²	85.2	45%	0.453	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-33.6	174.6	-75.8	-178.2	-16.4	0	0	112.2	E67 A87	E67-Q91 PolarHBondContact OE1-NE2 2.76Å; A87-Q91 WeakPolarHBondContact O-CB 3.41Å; A87-Q91 WeakPolarHBondContact O-CG 3.34Å; A87-Q91 PolarHBondContact O-N 3.49Å
92	Q	53.7	Low	55.3	Low	162 Å²	162	86.2 Å²	86.2	76%	0.757	50%	0.5	S	S	*	.	H	α-helix	trans	-73.2	-34.2	174.5	-164.2	171.4	49.7	0	0	112.7	E88 Q89 Y90	E88-Q92 PolarHBondContact O-N 2.92Å; E88-Q92 VanDerWaalsContact O-N 3.09Å; Q89-Q92 PolarHBondContact O-N 3.36Å; Y90-Q92 VanDerWaalsContact C-N 3.26Å; Y90-Q92 PolarHBondContact O-N 3.48Å
93	Y	50.7	Low	54.5	Low	162 Å²	162	87 Å²	87	64%	0.635	50%	0.504	S	S	*	.	H	α-helix	trans	-84.9	-28.2	-179.2	-139.8	-89	0	0	0	113.7	Y84 Q89 Y90 G95	Y84-Y93 HydrophobicContact CE1-CD2 4.1Å; Y84-Y93 HydrophobicContact CE1-CE1 4.38Å; Y84-Y93 AromaticContact CE1-CE2 3.93Å; Y84-Y93 HydrophobicContact CE1-CE2 3.93Å; Y84-Y93 HydrophobicContact CE1-CG 4.39Å; Y84-Y93 HydrophobicContact CE2-CD1 4.27Å; Y84-Y93 AromaticContact CZ-CE1 3.86Å; Y84-Y93 AromaticContact CZ-CZ 3.98Å; Y84-Y93 WeakPolarHBondContact OH-CE1 3.06Å; Q89-Y93 WeakPolarHBondContact O-CB 3.44Å; Q89-Y93 PolarHBondContact O-N 3.48Å; Y90-Y93 PolarHBondContact O-N 2.85Å; Y90-Y93 VanDerWaalsContact O-N 3.17Å; Y93-G95 PolarHBondContact O-N 3.17Å
94	A	56.7	Low	53.9	Low	65 Å²	65	82.1 Å²	82.1	54%	0.537	48%	0.479	S	S	.	.	S	Bend	trans	-66.7	-1.8	175.1	0	0	0	0	0	113	Y90	Y90-A94 HydrophobicContact CD1-CB 4.49Å; Y90-A94 HydrophobicContact CE1-CB 4.24Å; Y90-A94 WeakPolarHBondContact O-CB 3.27Å; Y90-A94 PolarHBondContact O-N 3.37Å
95	G	44.9	Very low	53.9	Low	47 Å²	47	82.2 Å²	82.2	49%	0.485	49%	0.488	S	S	.	.			trans	82	116.8	172.3	0	0	0	0	0	111.6	Y93	Y93-G95 PolarHBondContact O-N 3.17Å
96	N	42.1	Very low	54.3	Low	147 Å²	147	84 Å²	84	79%	0.786	49%	0.488	S	S	*	.	S	Bend	trans	61.9	91.9	144	-170.2	49.2	0	0	0	116.3	G98	N96-G98 PolarHBondContact O-N 2.99Å
97	G	42.1	Very low	54.8	Low	95 Å²	95	83 Å²	83	98%	0.979	48%	0.481	S	S	*	.	S	Bend		38.5	12.1	126.9	0	0	0	0	0	122.3
98	G	36.9	Very low	55.2	Low	56 Å²	56	84 Å²	84	58%	0.577	49%	0.485	S	S	*	.			trans	-119.8	106	179.2	0	0	0	0	0	106	N96 F100	N96-G98 PolarHBondContact O-N 2.99Å; G98-F100 PolarHBondContact O-N 3.29Å
99	G	44.3	Very low	56	Low	62 Å²	62	86.1 Å²	86.1	64%	0.639	49%	0.488	S	S	*	.			trans	-45.5	133.1	-171	0	0	0	0	0	111.8	N101	G99-N101 VanDerWaalsContact C-N 3.34Å; G99-N101 PolarHBondContact O-N 3.02Å
100	F	49.1	Very low	56.7	Low	85 Å²	85	87.7 Å²	87.7	37%	0.373	49%	0.494	S	S	.	.			trans	-39.4	102	162.7	-171.9	-103.9	0	0	0	107.9	E70 G98 F102	E70-F100 HydrophobicContact CB-CZ 4.23Å; E70-F100 WeakPolarHBondContact OE2-CE2 3.42Å; E70-F100 WeakPolarHBondContact OE2-CZ 3.39Å; G98-F100 PolarHBondContact O-N 3.29Å; F100-F102 HydrophobicContact CD1-CB 3.56Å; F100-F102 HydrophobicContact CD1-CD2 4.37Å; F100-F102 HydrophobicContact CD1-CG 4.32Å; F100-F102 HydrophobicContact CE1-CB 3.64Å; F100-F102 AromaticContact CE1-CD2 3.55Å; F100-F102 HydrophobicContact CE1-CD2 3.55Å; F100-F102 AromaticContact CE1-CG 3.92Å; F100-F102 HydrophobicContact CE1-CG 3.92Å; F100-F102 HydrophobicContact CZ-CD2 4.31Å; F100-F102 PolarHBondContact O-N 3.24Å
101	N	51	Low	57.2	Low	147 Å²	147	87.6 Å²	87.6	79%	0.786	50%	0.495	S	S	*	.			trans	-81.2	71.5	-175.4	-130.6	-87.9	0	0	0	106.6	G99 D103	G99-N101 VanDerWaalsContact C-N 3.34Å; G99-N101 PolarHBondContact O-N 3.02Å; N101-D103 PolarHBondContact O-N 2.89Å; N101-D103 VanDerWaalsContact O-N 3.11Å
102	F	56	Low	57.6	Low	26 Å²	26	85.7 Å²	85.7	11%	0.114	49%	0.488	C	S	.	.			trans	-76.8	97.4	177.3	-174.4	-104.4	0	0	0	108.1	F62 A66 F100 F104 F107	F62-F102 AromaticContact CD1-CE1 3.77Å; F62-F102 HydrophobicContact CD1-CE1 3.77Å; F62-F102 HydrophobicContact CD1-CZ 4.19Å; F62-F102 AromaticContact CE1-CE1 3.51Å; F62-F102 HydrophobicContact CE1-CE1 3.51Å; F62-F102 AromaticContact CE1-CZ 3.59Å; F62-F102 HydrophobicContact CE1-CZ 3.59Å; A66-F102 HydrophobicContact CB-CD2 4.22Å; A66-F102 HydrophobicContact CB-CE1 3.96Å; A66-F102 HydrophobicContact CB-CE2 3.44Å; A66-F102 VanDerWaalsContact CB-CE2 3.44Å; A66-F102 HydrophobicContact CB-CZ 3.26Å; F100-F102 HydrophobicContact CD1-CB 3.56Å; F100-F102 HydrophobicContact CD1-CD2 4.37Å; F100-F102 HydrophobicContact CD1-CG 4.32Å; F100-F102 HydrophobicContact CE1-CB 3.64Å; F100-F102 AromaticContact CE1-CD2 3.55Å; F100-F102 HydrophobicContact CE1-CD2 3.55Å; F100-F102 AromaticContact CE1-CG 3.92Å; F100-F102 HydrophobicContact CE1-CG 3.92Å; F100-F102 HydrophobicContact CZ-CD2 4.31Å; F100-F102 PolarHBondContact O-N 3.24Å; F102-F104 HydrophobicContact CD1-CB 4.37Å; F102-F104 AromaticContact CD1-CD1 3.81Å; F102-F104 HydrophobicContact CD1-CD1 3.81Å; F102-F104 AromaticContact CD1-CD2 3.73Å; F102-F104 HydrophobicContact CD1-CD2 3.73Å; F102-F104 HydrophobicContact CD1-CE1 4Å; F102-F104 AromaticContact CD1-CE2 3.92Å; F102-F104 HydrophobicContact CD1-CE2 3.92Å; F102-F104 AromaticContact CD1-CG 3.68Å; F102-F104 HydrophobicContact CD1-CG 3.68Å; F102-F104 HydrophobicContact CD1-CZ 4.06Å; F102-F104 HydrophobicContact CE1-CB 4.24Å; F102-F104 AromaticContact CE1-CD1 3.53Å; F102-F104 HydrophobicContact CE1-CD1 3.53Å; F102-F104 HydrophobicContact CE1-CD2 4.27Å; F102-F104 AromaticContact CE1-CE1 3.92Å; F102-F104 HydrophobicContact CE1-CE1 3.92Å; F102-F104 AromaticContact CE1-CG 3.74Å; F102-F104 HydrophobicContact CE1-CG 3.74Å; F102-F104 HydrophobicContact CE1-CZ 4.44Å; F102-F104 WeakPolarHBondContact O-CD2 3.09Å; F102-F104 PolarHBondContact O-N 3.17Å; F102-F107 HydrophobicContact CD2-CB 4.48Å; F102-F107 HydrophobicContact CE1-CB 4.09Å; F102-F107 HydrophobicContact CE1-CG 4.31Å; F102-F107 HydrophobicContact CE2-CB 3.54Å; F102-F107 HydrophobicContact CE2-CD1 4.24Å; F102-F107 AromaticContact CE2-CD2 3.38Å; F102-F107 HydrophobicContact CE2-CD2 3.38Å; F102-F107 HydrophobicContact CE2-CE2 4.18Å; F102-F107 AromaticContact CE2-CG 3.42Å; F102-F107 HydrophobicContact CE2-CG 3.42Å; F102-F107 VanDerWaalsContact CE2-CG 3.42Å; F102-F107 HydrophobicContact CZ-CB 3.31Å; F102-F107 AromaticContact CZ-CD1 3.62Å; F102-F107 HydrophobicContact CZ-CD1 3.62Å; F102-F107 AromaticContact CZ-CD2 3.66Å; F102-F107 HydrophobicContact CZ-CD2 3.66Å; F102-F107 HydrophobicContact CZ-CE1 4.43Å; F102-F107 HydrophobicContact CZ-CE2 4.41Å; F102-F107 AromaticContact CZ-CG 3.19Å; F102-F107 HydrophobicContact CZ-CG 3.19Å
103	D	64	Low	58.5	Low	102 Å²	102	82.1 Å²	82.1	55%	0.545	47%	0.474	S	S	.	.			trans	-68.5	90.8	166.3	-85.1	-55.5	0	0	0	108.3	N101 T105 D106 F107	N101-D103 PolarHBondContact O-N 2.89Å; N101-D103 VanDerWaalsContact O-N 3.11Å; D103-T105 PolarHBondContact O-N 3.09Å; D103-T105 VanDerWaalsContact O-N 3.09Å; D103-D106 HydrophobicContact CB-CB 3.79Å; D103-D106 PolarHBondContact O-N 3.24Å; D103-F107 PolarHBondContact O-N 3.25Å
104	F	63.8	Low	59.3	Low	36 Å²	36	76.4 Å²	76.4	16%	0.158	47%	0.465	C	S	.	.	H	α-helix	trans	-45	-44.1	173.5	-74.3	-95.5	0	0	0	110.6	E59 F62 R63 F102 D106 F107 F108	E59-F104 HydrophobicContact CG-CD1 4.35Å; E59-F104 HydrophobicContact CG-CE1 3.62Å; E59-F104 HydrophobicContact CG-CE2 4.13Å; E59-F104 HydrophobicContact CG-CZ 3.48Å; E59-F104 VanDerWaalsContact CG-CZ 3.48Å; F62-F104 HydrophobicContact CB-CE1 4.21Å; F62-F104 AromaticContact CD1-CD1 3.47Å; F62-F104 HydrophobicContact CD1-CD1 3.47Å; F62-F104 VanDerWaalsContact CD1-CD1 3.47Å; F62-F104 AromaticContact CD1-CE1 3.56Å; F62-F104 HydrophobicContact CD1-CE1 3.56Å; F62-F104 AromaticContact CE1-CD1 3.97Å; F62-F104 HydrophobicContact CE1-CD1 3.97Å; F62-F104 HydrophobicContact CE1-CE1 4.45Å; F62-F104 HydrophobicContact CG-CD1 4.47Å; F62-F104 HydrophobicContact CG-CE1 4.33Å; R63-F104 HydrophobicContact CB-CE1 4.3Å; R63-F104 HydrophobicContact CB-CZ 3.82Å; R63-F104 HydrophobicContact CG-CZ 4.06Å; F102-F104 HydrophobicContact CD1-CB 4.37Å; F102-F104 AromaticContact CD1-CD1 3.81Å; F102-F104 HydrophobicContact CD1-CD1 3.81Å; F102-F104 AromaticContact CD1-CD2 3.73Å; F102-F104 HydrophobicContact CD1-CD2 3.73Å; F102-F104 HydrophobicContact CD1-CE1 4Å; F102-F104 AromaticContact CD1-CE2 3.92Å; F102-F104 HydrophobicContact CD1-CE2 3.92Å; F102-F104 AromaticContact CD1-CG 3.68Å; F102-F104 HydrophobicContact CD1-CG 3.68Å; F102-F104 HydrophobicContact CD1-CZ 4.06Å; F102-F104 HydrophobicContact CE1-CB 4.24Å; F102-F104 AromaticContact CE1-CD1 3.53Å; F102-F104 HydrophobicContact CE1-CD1 3.53Å; F102-F104 HydrophobicContact CE1-CD2 4.27Å; F102-F104 AromaticContact CE1-CE1 3.92Å; F102-F104 HydrophobicContact CE1-CE1 3.92Å; F102-F104 AromaticContact CE1-CG 3.74Å; F102-F104 HydrophobicContact CE1-CG 3.74Å; F102-F104 HydrophobicContact CE1-CZ 4.44Å; F102-F104 WeakPolarHBondContact O-CD2 3.09Å; F102-F104 PolarHBondContact O-N 3.17Å; F104-D106 PolarHBondContact O-N 2.89Å; F104-F107 PolarHBondContact O-N 2.69Å; F104-F108 HydrophobicContact CB-CD2 4.07Å; F104-F108 HydrophobicContact CB-CE2 4.02Å; F104-F108 AromaticContact CD1-CE2 3.98Å; F104-F108 HydrophobicContact CD1-CE2 3.98Å; F104-F108 VanDerWaalsContact O-CB 3.25Å; F104-F108 WeakPolarHBondContact O-CB 3.36Å; F104-F108 WeakPolarHBondContact O-CD2 3.18Å; F104-F108 WeakPolarHBondContact O-CG 3.49Å; F104-F108 PolarHBondContact O-N 3.34Å
105	T	68.7	Low	59.7	Low	84 Å²	84	76 Å²	76	52%	0.515	45%	0.451	S	S	.	.	H	α-helix	trans	-60.2	-43.2	179.1	-52.2	0	0	0	0	112.8	D103 R109	D103-T105 PolarHBondContact O-N 3.09Å; D103-T105 VanDerWaalsContact O-N 3.09Å; T105-R109 WeakPolarHBondContact O-CB 3.41Å; T105-R109 WeakPolarHBondContact O-CG 3.49Å; T105-R109 PolarHBondContact O-N 3.15Å
106	D	71.7	Confident	60.6	Low	79 Å²	79	81 Å²	81	42%	0.422	46%	0.455	S	S	.	.	H	α-helix	trans	-73.1	-42.4	-179	-170	69.6	0	0	0	110.9	D103 F104 F108 R109 H110	D103-D106 HydrophobicContact CB-CB 3.79Å; D103-D106 PolarHBondContact O-N 3.24Å; F104-D106 PolarHBondContact O-N 2.89Å; D106-F108 PolarHBondContact O-N 3.28Å; D106-R109 WeakPolarHBondContact O-CB 3.43Å; D106-R109 PolarHBondContact O-N 3.34Å; D106-H110 PolarHBondContact O-N 2.62Å; D106-H110 PolarHBondContact O-ND1 2.73Å; D106-H110 IonicContact OD1-CE1 3.4Å; D106-H110 PolarHBondContact OD1-CE1 3.25Å; D106-H110 IonicContact OD1-ND1 3.67Å; D106-H110 IonicContact OD2-CE1 3.03Å; D106-H110 PolarHBondContact OD2-CE1 2.8Å; D106-H110 IonicContact OD2-ND1 3.06Å; D106-H110 PolarHBondContact OD2-ND1 3.13Å
107	F	69.2	Low	61.8	Low	42 Å²	42	81.2 Å²	81.2	18%	0.184	45%	0.451	C	S	.	.	H	α-helix	trans	-60.9	-46.1	174.1	-174.6	-84.2	0	0	0	111.7	F41 F62 Y69 F102 D103 F104 R109 H110 F111	F41-F107 HydrophobicContact CD1-CZ 4.45Å; F41-F107 AromaticContact CE1-CE1 3.62Å; F41-F107 HydrophobicContact CE1-CE1 3.62Å; F41-F107 AromaticContact CE1-CZ 3.3Å; F41-F107 HydrophobicContact CE1-CZ 3.3Å; F41-F107 HydrophobicContact CE2-CE1 4.41Å; F41-F107 HydrophobicContact CE2-CZ 4.09Å; F41-F107 AromaticContact CZ-CE1 3.26Å; F41-F107 HydrophobicContact CZ-CE1 3.26Å; F41-F107 HydrophobicContact CZ-CE2 4.26Å; F41-F107 AromaticContact CZ-CZ 3.08Å; F41-F107 HydrophobicContact CZ-CZ 3.08Å; F62-F107 AromaticContact CE1-CD1 3.77Å; F62-F107 HydrophobicContact CE1-CD1 3.77Å; F62-F107 HydrophobicContact CE1-CE1 4.23Å; F62-F107 AromaticContact CZ-CD1 3.5Å; F62-F107 HydrophobicContact CZ-CD1 3.5Å; F62-F107 AromaticContact CZ-CE1 3.62Å; F62-F107 HydrophobicContact CZ-CE1 3.62Å; Y69-F107 HydrophobicContact CD1-CE2 4.38Å; Y69-F107 HydrophobicContact CD1-CZ 4.44Å; F102-F107 HydrophobicContact CD2-CB 4.48Å; F102-F107 HydrophobicContact CE1-CB 4.09Å; F102-F107 HydrophobicContact CE1-CG 4.31Å; F102-F107 HydrophobicContact CE2-CB 3.54Å; F102-F107 HydrophobicContact CE2-CD1 4.24Å; F102-F107 AromaticContact CE2-CD2 3.38Å; F102-F107 HydrophobicContact CE2-CD2 3.38Å; F102-F107 HydrophobicContact CE2-CE2 4.18Å; F102-F107 AromaticContact CE2-CG 3.42Å; F102-F107 HydrophobicContact CE2-CG 3.42Å; F102-F107 VanDerWaalsContact CE2-CG 3.42Å; F102-F107 HydrophobicContact CZ-CB 3.31Å; F102-F107 AromaticContact CZ-CD1 3.62Å; F102-F107 HydrophobicContact CZ-CD1 3.62Å; F102-F107 AromaticContact CZ-CD2 3.66Å; F102-F107 HydrophobicContact CZ-CD2 3.66Å; F102-F107 HydrophobicContact CZ-CE1 4.43Å; F102-F107 HydrophobicContact CZ-CE2 4.41Å; F102-F107 AromaticContact CZ-CG 3.19Å; F102-F107 HydrophobicContact CZ-CG 3.19Å; D103-F107 PolarHBondContact O-N 3.25Å; F104-F107 PolarHBondContact O-N 2.69Å; F107-R109 VanDerWaalsContact C-N 3.31Å; F107-R109 PolarHBondContact O-N 3.37Å; F107-H110 PolarHBondContact O-N 3.42Å; F107-F111 HydrophobicContact CD1-CB 4.45Å; F107-F111 HydrophobicContact CE1-CB 4.15Å; F107-F111 HydrophobicContact CE1-CD2 4.47Å; F107-F111 WeakPolarHBondContact O-CB 3.37Å; F107-F111 PolarHBondContact O-N 3.24Å
108	F	69.2	Low	62.6	Low	24 Å²	24	85 Å²	85	11%	0.105	44%	0.436	C	S	.	.	H	α-helix	trans	-63.9	-35.5	176.3	-79.6	-60.3	0	0	0	111.5	H49 P50 F62 F104 D106 F111 D112	H49-F108 AromaticContact CD2-CD1 3.57Å; H49-F108 AromaticContact CD2-CE1 3.46Å; H49-F108 VanDerWaalsContact CD2-CE1 3.46Å; H49-F108 WeakPolarHBondContact CD2-CE1 3.35Å; H49-F108 AromaticContact NE2-CD1 3.75Å; P50-F108 HydrophobicContact CG-CD2 4.38Å; P50-F108 HydrophobicContact CG-CE2 3.84Å; P50-F108 HydrophobicContact CG-CZ 3.98Å; F62-F108 HydrophobicContact CD1-CE1 4.43Å; F62-F108 HydrophobicContact CD1-CE2 4.02Å; F62-F108 AromaticContact CD1-CZ 3.64Å; F62-F108 HydrophobicContact CD1-CZ 3.64Å; F62-F108 AromaticContact CD2-CE1 3.99Å; F62-F108 HydrophobicContact CD2-CE1 3.99Å; F62-F108 AromaticContact CD2-CZ 3.7Å; F62-F108 HydrophobicContact CD2-CZ 3.7Å; F62-F108 HydrophobicContact CE1-CD1 4.41Å; F62-F108 HydrophobicContact CE1-CD2 4.34Å; F62-F108 AromaticContact CE1-CE1 3.76Å; F62-F108 HydrophobicContact CE1-CE1 3.76Å; F62-F108 AromaticContact CE1-CE2 3.65Å; F62-F108 HydrophobicContact CE1-CE2 3.65Å; F62-F108 AromaticContact CE1-CZ 3.29Å; F62-F108 HydrophobicContact CE1-CZ 3.29Å; F62-F108 HydrophobicContact CE2-CD1 4.29Å; F62-F108 AromaticContact CE2-CE1 3.29Å; F62-F108 HydrophobicContact CE2-CE1 3.29Å; F62-F108 AromaticContact CE2-CZ 3.42Å; F62-F108 HydrophobicContact CE2-CZ 3.42Å; F62-F108 VanDerWaalsContact CE2-CZ 3.42Å; F62-F108 AromaticContact CG-CZ 3.8Å; F62-F108 HydrophobicContact CG-CZ 3.8Å; F62-F108 AromaticContact CZ-CD1 3.81Å; F62-F108 HydrophobicContact CZ-CD1 3.81Å; F62-F108 AromaticContact CZ-CE1 3.14Å; F62-F108 HydrophobicContact CZ-CE1 3.14Å; F62-F108 AromaticContact CZ-CE2 3.95Å; F62-F108 HydrophobicContact CZ-CE2 3.95Å; F62-F108 HydrophobicContact CZ-CG 4.44Å; F62-F108 AromaticContact CZ-CZ 3.2Å; F62-F108 HydrophobicContact CZ-CZ 3.2Å; F104-F108 HydrophobicContact CB-CD2 4.07Å; F104-F108 HydrophobicContact CB-CE2 4.02Å; F104-F108 AromaticContact CD1-CE2 3.98Å; F104-F108 HydrophobicContact CD1-CE2 3.98Å; F104-F108 VanDerWaalsContact O-CB 3.25Å; F104-F108 WeakPolarHBondContact O-CB 3.36Å; F104-F108 WeakPolarHBondContact O-CD2 3.18Å; F104-F108 WeakPolarHBondContact O-CG 3.49Å; F104-F108 PolarHBondContact O-N 3.34Å; D106-F108 PolarHBondContact O-N 3.28Å; F108-F111 PolarHBondContact O-N 2.77Å; F108-D112 WeakPolarHBondContact O-CA 2.94Å; F108-D112 WeakPolarHBondContact O-CB 3.33Å; F108-D112 PolarHBondContact O-N 3.18Å
109	R	73	Confident	63.6	Low	168 Å²	168	85.8 Å²	85.8	63%	0.634	42%	0.423	S	S	*	.	H	α-helix	trans	-65.5	-46.7	174.3	-79.3	170.9	178	173.2	1.3	112.2	T105 D106 F107 F111 D112 D113	T105-R109 WeakPolarHBondContact O-CB 3.41Å; T105-R109 WeakPolarHBondContact O-CG 3.49Å; T105-R109 PolarHBondContact O-N 3.15Å; D106-R109 WeakPolarHBondContact O-CB 3.43Å; D106-R109 PolarHBondContact O-N 3.34Å; F107-R109 VanDerWaalsContact C-N 3.31Å; F107-R109 PolarHBondContact O-N 3.37Å; R109-F111 VanDerWaalsContact C-N 3.3Å; R109-F111 PolarHBondContact O-N 3.03Å; R109-D112 PolarHBondContact O-N 3.41Å; R109-D113 VanDerWaalsContact O-CB 3.23Å; R109-D113 WeakPolarHBondContact O-CB 3.01Å; R109-D113 PolarHBondContact O-N 2.81Å
110	H	69.9	Low	63.9	Low	126 Å²	126	85.6 Å²	85.6	58%	0.583	42%	0.421	S	S	*	.	H	α-helix	trans	-64.4	-38.4	175.8	-73	94.5	0	0	0	111.7	D106 F107 G114	D106-H110 PolarHBondContact O-N 2.62Å; D106-H110 PolarHBondContact O-ND1 2.73Å; D106-H110 IonicContact OD1-CE1 3.4Å; D106-H110 PolarHBondContact OD1-CE1 3.25Å; D106-H110 IonicContact OD1-ND1 3.67Å; D106-H110 IonicContact OD2-CE1 3.03Å; D106-H110 PolarHBondContact OD2-CE1 2.8Å; D106-H110 IonicContact OD2-ND1 3.06Å; D106-H110 PolarHBondContact OD2-ND1 3.13Å; F107-H110 PolarHBondContact O-N 3.42Å; H110-G114 PolarHBondContact O-N 3.18Å
111	F	67.6	Low	64	Low	28 Å²	28	84.7 Å²	84.7	12%	0.123	44%	0.436	C	S	.	.	H	α-helix	trans	-66.3	-47.3	175.6	179.9	-93.6	0	0	0	112	F41 R42 A45 L46 F107 F108 R109 G114 F115	F41-F111 AromaticContact CE1-CD2 3.95Å; F41-F111 HydrophobicContact CE1-CD2 3.95Å; F41-F111 HydrophobicContact CE1-CE2 4.05Å; R42-F111 HydrophobicContact CB-CE2 4.44Å; R42-F111 HydrophobicContact CG-CE2 4.03Å; A45-F111 HydrophobicContact CB-CD2 4.32Å; A45-F111 HydrophobicContact CB-CE1 4.24Å; A45-F111 HydrophobicContact CB-CE2 3.67Å; A45-F111 HydrophobicContact CB-CZ 3.63Å; L46-F111 HydrophobicContact CD2-CE1 4.13Å; L46-F111 HydrophobicContact CD2-CZ 4.35Å; L46-F111 HydrophobicContact CG-CE1 4.43Å; L46-F111 HydrophobicContact CG-CZ 4.18Å; F107-F111 HydrophobicContact CD1-CB 4.45Å; F107-F111 HydrophobicContact CE1-CB 4.15Å; F107-F111 HydrophobicContact CE1-CD2 4.47Å; F107-F111 WeakPolarHBondContact O-CB 3.37Å; F107-F111 PolarHBondContact O-N 3.24Å; F108-F111 PolarHBondContact O-N 2.77Å; R109-F111 VanDerWaalsContact C-N 3.3Å; R109-F111 PolarHBondContact O-N 3.03Å; F111-G114 CarbonylContact O-C 3.6Å; F111-G114 PolarHBondContact O-N 3.05Å; F111-F115 VanDerWaalsContact O-CB 3.27Å; F111-F115 WeakPolarHBondContact O-CB 3.49Å; F111-F115 PolarHBondContact O-N 2.94Å
112	D	66.1	Low	63.9	Low	56 Å²	56	86.8 Å²	86.8	30%	0.299	44%	0.438	S	S	.	.	H	α-helix	trans	-68.1	-39.4	179.4	-177.3	-112.2	0	0	0	110.7	F108 R109 G114 F115 R116	F108-D112 WeakPolarHBondContact O-CA 2.94Å; F108-D112 WeakPolarHBondContact O-CB 3.33Å; F108-D112 PolarHBondContact O-N 3.18Å; R109-D112 PolarHBondContact O-N 3.41Å; D112-G114 VanDerWaalsContact C-N 3.35Å; D112-G114 PolarHBondContact O-N 3.35Å; D112-F115 CarbonylContact O-C 3.57Å; D112-F115 PolarHBondContact O-N 3.46Å; D112-R116 WeakPolarHBondContact O-CA 3.35Å; D112-R116 WeakPolarHBondContact O-CB 3.33Å; D112-R116 WeakPolarHBondContact O-CG 3.27Å; D112-R116 PolarHBondContact O-N 2.7Å; D112-R116 VanDerWaalsContact OD1-CD 3.26Å; D112-R116 WeakPolarHBondContact OD1-CD 3.36Å; D112-R116 IonicContact OD1-CZ 3.62Å; D112-R116 IonicContact OD1-NE 3.81Å; D112-R116 IonicContact OD1-NH1 2.69Å; D112-R116 PolarHBondContact OD1-NH1 3.17Å; D112-R116 IonicContact OD2-NH1 3.38Å; D112-R116 PolarHBondContact OD2-NH1 2.98Å
113	D	72.2	Confident	63.2	Low	87 Å²	87	90.4 Å²	90.4	47%	0.465	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-41.4	173.2	-171.3	60	0	0	0	111.3	R109 R116 H117	R109-D113 VanDerWaalsContact O-CB 3.23Å; R109-D113 WeakPolarHBondContact O-CB 3.01Å; R109-D113 PolarHBondContact O-N 2.81Å; D113-R116 PolarHBondContact O-N 3.07Å; D113-H117 WeakPolarHBondContact O-CB 3.29Å; D113-H117 PolarHBondContact O-N 3.32Å; D113-H117 PolarHBondContact O-ND1 2.97Å; D113-H117 IonicContact OD1-CE1 3.33Å; D113-H117 PolarHBondContact OD1-CE1 3.45Å; D113-H117 IonicContact OD1-ND1 3.3Å; D113-H117 PolarHBondContact OD1-ND1 3.49Å; D113-H117 IonicContact OD2-CE1 3.52Å; D113-H117 IonicContact OD2-ND1 3.43Å; D113-H117 PolarHBondContact OD2-ND1 3.45Å
114	G	66.1	Low	62.2	Low	43 Å²	43	89.2 Å²	89.2	44%	0.443	47%	0.467	S	S	.	.	H	α-helix	trans	-66.7	-35.8	173.1	0	0	0	0	0	113.5	H110 F111 D112 R118	H110-G114 PolarHBondContact O-N 3.18Å; F111-G114 CarbonylContact O-C 3.6Å; F111-G114 PolarHBondContact O-N 3.05Å; D112-G114 VanDerWaalsContact C-N 3.35Å; D112-G114 PolarHBondContact O-N 3.35Å; G114-R118 WeakPolarHBondContact O-CB 3.44Å; G114-R118 PolarHBondContact O-N 3.49Å
115	F	65.3	Low	61.7	Low	56 Å²	56	96.2 Å²	96.2	25%	0.246	50%	0.5	C	S	.	.	H	α-helix	trans	-71.3	-44.2	175.7	-175.9	-93.5	0	0	0	110.8	L46 F111 D112 R118 F119	L46-F115 HydrophobicContact CD1-CE2 4.07Å; L46-F115 HydrophobicContact CD2-CD2 4.34Å; L46-F115 HydrophobicContact CD2-CE2 4.03Å; L46-F115 HydrophobicContact CD2-CZ 4.42Å; F111-F115 VanDerWaalsContact O-CB 3.27Å; F111-F115 WeakPolarHBondContact O-CB 3.49Å; F111-F115 PolarHBondContact O-N 2.94Å; D112-F115 CarbonylContact O-C 3.57Å; D112-F115 PolarHBondContact O-N 3.46Å; F115-R118 CarbonylContact O-C 3.55Å; F115-R118 PolarHBondContact O-N 3.07Å; F115-R118 VanDerWaalsContact O-N 3.13Å; F115-F119 HydrophobicContact CD1-CB 4.36Å; F115-F119 HydrophobicContact CD1-CD2 4.18Å; F115-F119 AromaticContact CD2-CD2 3.31Å; F115-F119 HydrophobicContact CD2-CD2 3.31Å; F115-F119 AromaticContact CD2-CE2 3.64Å; F115-F119 HydrophobicContact CD2-CE2 3.64Å; F115-F119 HydrophobicContact CD2-CG 4.4Å; F115-F119 HydrophobicContact CE1-CB 4.03Å; F115-F119 HydrophobicContact CE1-CD2 4.08Å; F115-F119 HydrophobicContact CE1-CG 4.32Å; F115-F119 AromaticContact CE2-CD2 3.19Å; F115-F119 HydrophobicContact CE2-CD2 3.19Å; F115-F119 AromaticContact CE2-CE2 3.47Å; F115-F119 HydrophobicContact CE2-CE2 3.47Å; F115-F119 VanDerWaalsContact CE2-CE2 3.47Å; F115-F119 AromaticContact CE2-CG 4Å; F115-F119 HydrophobicContact CE2-CG 4Å; F115-F119 HydrophobicContact CE2-CZ 4.48Å; F115-F119 AromaticContact CG-CD2 3.81Å; F115-F119 HydrophobicContact CG-CD2 3.81Å; F115-F119 HydrophobicContact CZ-CB 4.12Å; F115-F119 AromaticContact CZ-CD2 3.6Å; F115-F119 HydrophobicContact CZ-CD2 3.6Å; F115-F119 HydrophobicContact CZ-CE2 4.25Å; F115-F119 AromaticContact CZ-CG 3.95Å; F115-F119 HydrophobicContact CZ-CG 3.95Å; F115-F119 WeakPolarHBondContact O-CB 3.28Å; F115-F119 WeakPolarHBondContact O-CD2 3.42Å; F115-F119 PolarHBondContact O-N 2.73Å
116	R	65.4	Low	60.9	Low	151 Å²	151	98.2 Å²	98.2	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-64.5	-38	174	-75.4	179.2	128.1	90.6	3.6	111.9	D112 D113 R118 G120	D112-R116 WeakPolarHBondContact O-CA 3.35Å; D112-R116 WeakPolarHBondContact O-CB 3.33Å; D112-R116 WeakPolarHBondContact O-CG 3.27Å; D112-R116 PolarHBondContact O-N 2.7Å; D112-R116 VanDerWaalsContact OD1-CD 3.26Å; D112-R116 WeakPolarHBondContact OD1-CD 3.36Å; D112-R116 IonicContact OD1-CZ 3.62Å; D112-R116 IonicContact OD1-NE 3.81Å; D112-R116 IonicContact OD1-NH1 2.69Å; D112-R116 PolarHBondContact OD1-NH1 3.17Å; D112-R116 IonicContact OD2-NH1 3.38Å; D112-R116 PolarHBondContact OD2-NH1 2.98Å; D113-R116 PolarHBondContact O-N 3.07Å; R116-R118 PolarHBondContact O-N 3.35Å; R116-G120 WeakPolarHBondContact O-CA 3.45Å; R116-G120 PolarHBondContact O-N 2.75Å
117	H	67.1	Low	60	Low	153 Å²	153	97.8 Å²	97.8	71%	0.708	51%	0.508	S	S	*	.	H	α-helix	trans	-66.2	-28.4	173.7	-86.4	84.6	0	0	0	112.2	D113	D113-H117 WeakPolarHBondContact O-CB 3.29Å; D113-H117 PolarHBondContact O-N 3.32Å; D113-H117 PolarHBondContact O-ND1 2.97Å; D113-H117 IonicContact OD1-CE1 3.33Å; D113-H117 PolarHBondContact OD1-CE1 3.45Å; D113-H117 IonicContact OD1-ND1 3.3Å; D113-H117 PolarHBondContact OD1-ND1 3.49Å; D113-H117 IonicContact OD2-CE1 3.52Å; D113-H117 IonicContact OD2-ND1 3.43Å; D113-H117 PolarHBondContact OD2-ND1 3.45Å
118	R	58.5	Low	58.9	Low	174 Å²	174	102 Å²	102	66%	0.657	53%	0.529	S	S	*	.	H	α-helix	trans	-91.3	-31.4	-179.8	-168.3	167.7	-141.3	146.7	5.8	114.5	G114 F115 R116	G114-R118 WeakPolarHBondContact O-CB 3.44Å; G114-R118 PolarHBondContact O-N 3.49Å; F115-R118 CarbonylContact O-C 3.55Å; F115-R118 PolarHBondContact O-N 3.07Å; F115-R118 VanDerWaalsContact O-N 3.13Å; R116-R118 PolarHBondContact O-N 3.35Å
119	F	57.3	Low	57.7	Low	73 Å²	73	108.5 Å²	108.5	32%	0.32	56%	0.558	S	S	.	*	H	α-helix	trans	-123.4	-6.5	-173	-63.2	-69.1	0	0	0	113.6	F115 G121 T131 L135	F115-F119 HydrophobicContact CD1-CB 4.36Å; F115-F119 HydrophobicContact CD1-CD2 4.18Å; F115-F119 AromaticContact CD2-CD2 3.31Å; F115-F119 HydrophobicContact CD2-CD2 3.31Å; F115-F119 AromaticContact CD2-CE2 3.64Å; F115-F119 HydrophobicContact CD2-CE2 3.64Å; F115-F119 HydrophobicContact CD2-CG 4.4Å; F115-F119 HydrophobicContact CE1-CB 4.03Å; F115-F119 HydrophobicContact CE1-CD2 4.08Å; F115-F119 HydrophobicContact CE1-CG 4.32Å; F115-F119 AromaticContact CE2-CD2 3.19Å; F115-F119 HydrophobicContact CE2-CD2 3.19Å; F115-F119 AromaticContact CE2-CE2 3.47Å; F115-F119 HydrophobicContact CE2-CE2 3.47Å; F115-F119 VanDerWaalsContact CE2-CE2 3.47Å; F115-F119 AromaticContact CE2-CG 4Å; F115-F119 HydrophobicContact CE2-CG 4Å; F115-F119 HydrophobicContact CE2-CZ 4.48Å; F115-F119 AromaticContact CG-CD2 3.81Å; F115-F119 HydrophobicContact CG-CD2 3.81Å; F115-F119 HydrophobicContact CZ-CB 4.12Å; F115-F119 AromaticContact CZ-CD2 3.6Å; F115-F119 HydrophobicContact CZ-CD2 3.6Å; F115-F119 HydrophobicContact CZ-CE2 4.25Å; F115-F119 AromaticContact CZ-CG 3.95Å; F115-F119 HydrophobicContact CZ-CG 3.95Å; F115-F119 WeakPolarHBondContact O-CB 3.28Å; F115-F119 WeakPolarHBondContact O-CD2 3.42Å; F115-F119 PolarHBondContact O-N 2.73Å; F119-G121 VanDerWaalsContact C-N 3.33Å; F119-G121 PolarHBondContact O-N 3.03Å; F119-T131 HydrophobicContact CD1-CG2 3.68Å; F119-T131 HydrophobicContact CE1-CG2 3.81Å; F119-L135 HydrophobicContact CD1-CD1 4.23Å; F119-L135 HydrophobicContact CE1-CD1 3.31Å; F119-L135 HydrophobicContact CE1-CD2 3.86Å; F119-L135 HydrophobicContact CE1-CG 4.05Å; F119-L135 HydrophobicContact CE2-CD1 4.21Å; F119-L135 HydrophobicContact CZ-CD1 3.27Å; F119-L135 HydrophobicContact CZ-CD2 3.67Å; F119-L135 HydrophobicContact CZ-CG 4.08Å
120	G	51.3	Low	56.8	Low	57 Å²	57	106.5 Å²	106.5	59%	0.588	56%	0.556	S	S	*	*			trans	-93.2	41.1	-171.4	0	0	0	0	0	114.7	R116	R116-G120 WeakPolarHBondContact O-CA 3.45Å; R116-G120 PolarHBondContact O-N 2.75Å
121	G	50.6	Low	56.1	Low	67 Å²	67	102.7 Å²	102.7	69%	0.691	54%	0.541	S	S	*	.	S	Bend	trans	-105.4	85.8	162.5	0	0	0	0	0	110.9	F119	F119-G121 VanDerWaalsContact C-N 3.33Å; F119-G121 PolarHBondContact O-N 3.03Å
122	K	49.2	Very low	55.1	Low	190 Å²	190	104.4 Å²	104.4	83%	0.826	55%	0.548	S	S	*	.	S	Bend	trans	70.3	107	164.4	-68	179.7	153.4	73.1	0	119.1
123	S	41.4	Very low	54.5	Low	102 Å²	102	102.5 Å²	102.5	71%	0.713	54%	0.543	S	S	*	.				42.9	102.4	129.3	61.5	0	0	0	0	120.6
124	S	43.7	Very low	53.7	Low	78 Å²	78	103.7 Å²	103.7	55%	0.545	55%	0.549	S	S	.	.				175.9	138	119.9	-73.8	0	0	0	0	108	D126 T127 M128	S124-D126 PolarHBondContact O-N 3.14Å; S124-D126 VanDerWaalsContact O-N 3.14Å; S124-T127 WeakPolarHBondContact CB-OG1 2.92Å; S124-T127 WeakPolarHBondContact O-CA 3.09Å; S124-T127 WeakPolarHBondContact O-CB 3.24Å; S124-T127 PolarHBondContact O-N 3.43Å; S124-T127 PolarHBondContact O-OG1 3.3Å; S124-M128 PolarHBondContact O-N 3.39Å
125	E	51.8	Low	53	Low	183 Å²	183	104.7 Å²	104.7	86%	0.855	54%	0.544	S	S	*	.	H	α-helix	trans	-58.3	-25.9	-178	-74.5	160.8	116.5	0	0	112.4	M128	E125-M128 PolarHBondContact O-N 2.9Å
126	D	52.7	Low	52.4	Low	126 Å²	126	105.2 Å²	105.2	67%	0.674	55%	0.546	S	S	*	.	H	α-helix	trans	-69.2	-36	171.7	-63.3	-47.6	0	0	0	113	S124 M128 F129 H130	S124-D126 PolarHBondContact O-N 3.14Å; S124-D126 VanDerWaalsContact O-N 3.14Å; D126-M128 VanDerWaalsContact C-N 3.26Å; D126-M128 PolarHBondContact O-N 3.33Å; D126-F129 PolarHBondContact O-N 2.69Å; D126-H130 PolarHBondContact O-CD2 3Å; D126-H130 VanDerWaalsContact O-CD2 3.28Å; D126-H130 PolarHBondContact O-N 3.5Å; D126-H130 VanDerWaalsContact O-N 3.15Å
127	T	51.5	Low	51.7	Low	70 Å²	70	104 Å²	104	43%	0.429	55%	0.551	S	S	.	*	H	α-helix	trans	-69.2	-27	178.1	-29.2	0	0	0	0	111	S124 T131	S124-T127 WeakPolarHBondContact CB-OG1 2.92Å; S124-T127 WeakPolarHBondContact O-CA 3.09Å; S124-T127 WeakPolarHBondContact O-CB 3.24Å; S124-T127 PolarHBondContact O-N 3.43Å; S124-T127 PolarHBondContact O-OG1 3.3Å; T127-T131 WeakPolarHBondContact O-CA 3.46Å; T127-T131 WeakPolarHBondContact O-CB 3.48Å; T127-T131 PolarHBondContact O-N 3.34Å; T127-T131 PolarHBondContact O-OG1 3.43Å
128	M	46.8	Very low	50.9	Low	129 Å²	129	101.7 Å²	101.7	64%	0.635	54%	0.544	S	S	*	.	H	α-helix	trans	-68.5	-40.7	176.2	-171.3	-174.8	-69.9	0	0	111.4	S124 E125 D126 F132	S124-M128 PolarHBondContact O-N 3.39Å; E125-M128 PolarHBondContact O-N 2.9Å; D126-M128 VanDerWaalsContact C-N 3.26Å; D126-M128 PolarHBondContact O-N 3.33Å; M128-F132 WeakPolarHBondContact O-CA 3.12Å; M128-F132 WeakPolarHBondContact O-CB 3.47Å; M128-F132 PolarHBondContact O-N 2.73Å
129	F	45	Very low	50.1	Low	162 Å²	162	98.3 Å²	98.3	71%	0.711	54%	0.544	S	S	*	.	H	α-helix	trans	-72.4	-37.4	178.1	-163.2	-95.6	0	0	0	111.8	D126 F132 G133	D126-F129 PolarHBondContact O-N 2.69Å; F129-F132 PolarHBondContact O-N 3.48Å; F129-G133 PolarHBondContact O-N 3.46Å
130	H	52.8	Low	49.5	Very low	126 Å²	126	104.3 Å²	104.3	58%	0.583	57%	0.565	S	S	*	*	H	α-helix	trans	-71.7	-35.7	173.6	-78.2	-69.9	0	0	0	113.2	D126 N134	D126-H130 PolarHBondContact O-CD2 3Å; D126-H130 VanDerWaalsContact O-CD2 3.28Å; D126-H130 PolarHBondContact O-N 3.5Å; D126-H130 VanDerWaalsContact O-N 3.15Å; H130-N134 WeakPolarHBondContact O-CB 3.5Å; H130-N134 PolarHBondContact O-N 3.49Å; H130-N134 PolarHBondContact O-ND2 3.36Å; H130-N134 VanDerWaalsContact O-ND2 3.1Å
131	T	54.9	Low	49.3	Very low	46 Å²	46	110.4 Å²	110.4	28%	0.282	58%	0.578	S	S	.	*	H	α-helix	trans	-72	-37.1	173.3	-58.5	0	0	0	0	110.5	F119 T127 L135	F119-T131 HydrophobicContact CD1-CG2 3.68Å; F119-T131 HydrophobicContact CE1-CG2 3.81Å; T127-T131 WeakPolarHBondContact O-CA 3.46Å; T127-T131 WeakPolarHBondContact O-CB 3.48Å; T127-T131 PolarHBondContact O-N 3.34Å; T127-T131 PolarHBondContact O-OG1 3.43Å; T131-L135 HydrophobicContact CG2-CD1 3.79Å; T131-L135 HydrophobicContact CG2-CG 4.34Å; T131-L135 VanDerWaalsContact O-CB 3.25Å; T131-L135 WeakPolarHBondContact O-CB 3.45Å; T131-L135 WeakPolarHBondContact O-CD1 3.14Å; T131-L135 WeakPolarHBondContact O-CG 3.26Å; T131-L135 PolarHBondContact O-N 2.79Å
132	F	48.5	Very low	49.2	Very low	63 Å²	63	112.6 Å²	112.6	28%	0.276	57%	0.57	S	S	.	*	H	α-helix	trans	-67.6	-42.2	173	-170	-91.9	0	0	0	111.1	M128 F129 L135 F136	M128-F132 WeakPolarHBondContact O-CA 3.12Å; M128-F132 WeakPolarHBondContact O-CB 3.47Å; M128-F132 PolarHBondContact O-N 2.73Å; F129-F132 PolarHBondContact O-N 3.48Å; F132-L135 PolarHBondContact O-N 2.94Å; F132-F136 HydrophobicContact CD1-CD2 4.03Å; F132-F136 HydrophobicContact CD1-CE2 4.31Å; F132-F136 HydrophobicContact CD1-CG 4.39Å; F132-F136 AromaticContact CD2-CD2 3.8Å; F132-F136 HydrophobicContact CD2-CD2 3.8Å; F132-F136 AromaticContact CD2-CE2 3.34Å; F132-F136 HydrophobicContact CD2-CE2 3.34Å; F132-F136 HydrophobicContact CD2-CZ 4.03Å; F132-F136 HydrophobicContact CE1-CD1 4.32Å; F132-F136 HydrophobicContact CE1-CD2 4.02Å; F132-F136 HydrophobicContact CE1-CE1 4.41Å; F132-F136 HydrophobicContact CE1-CE2 4.1Å; F132-F136 HydrophobicContact CE1-CG 4.12Å; F132-F136 HydrophobicContact CE1-CZ 4.3Å; F132-F136 AromaticContact CE2-CD2 3.8Å; F132-F136 HydrophobicContact CE2-CD2 3.8Å; F132-F136 HydrophobicContact CE2-CE1 4.09Å; F132-F136 AromaticContact CE2-CE2 3.09Å; F132-F136 HydrophobicContact CE2-CE2 3.09Å; F132-F136 AromaticContact CE2-CZ 3.26Å; F132-F136 HydrophobicContact CE2-CZ 3.26Å; F132-F136 AromaticContact CG-CD2 3.91Å; F132-F136 HydrophobicContact CG-CD2 3.91Å; F132-F136 AromaticContact CG-CE2 3.96Å; F132-F136 HydrophobicContact CG-CE2 3.96Å; F132-F136 HydrophobicContact CZ-CD1 4.11Å; F132-F136 AromaticContact CZ-CD2 3.9Å; F132-F136 HydrophobicContact CZ-CD2 3.9Å; F132-F136 AromaticContact CZ-CE1 3.75Å; F132-F136 HydrophobicContact CZ-CE1 3.75Å; F132-F136 AromaticContact CZ-CE2 3.51Å; F132-F136 HydrophobicContact CZ-CE2 3.51Å; F132-F136 HydrophobicContact CZ-CG 4.18Å; F132-F136 AromaticContact CZ-CZ 3.42Å; F132-F136 HydrophobicContact CZ-CZ 3.42Å; F132-F136 VanDerWaalsContact CZ-CZ 3.42Å; F132-F136 VanDerWaalsContact O-CB 3.29Å; F132-F136 WeakPolarHBondContact O-CB 3.15Å; F132-F136 WeakPolarHBondContact O-CD2 3.23Å; F132-F136 PolarHBondContact O-N 3.03Å
133	G	52.9	Low	49.1	Very low	17 Å²	17	110.6 Å²	110.6	18%	0.175	56%	0.562	C	S	.	*	H	α-helix	trans	-58.1	-53.9	170.7	0	0	0	0	0	111.3	F129 L135 F136 D137	F129-G133 PolarHBondContact O-N 3.46Å; G133-L135 PolarHBondContact O-N 2.82Å; G133-F136 PolarHBondContact O-N 3.4Å; G133-F136 VanDerWaalsContact O-N 3.11Å; G133-D137 VanDerWaalsContact O-CB 3.28Å; G133-D137 WeakPolarHBondContact O-CB 3.05Å; G133-D137 PolarHBondContact O-N 3.06Å
134	N	55.1	Low	49	Very low	112 Å²	112	109.2 Å²	109.2	60%	0.599	56%	0.564	S	S	*	*	H	α-helix	trans	-70	-4.2	179.7	-62.4	-21.5	0	0	0	114.8	H130	H130-N134 WeakPolarHBondContact O-CB 3.5Å; H130-N134 PolarHBondContact O-N 3.49Å; H130-N134 PolarHBondContact O-ND2 3.36Å; H130-N134 VanDerWaalsContact O-ND2 3.1Å
135	L	52	Low	48.8	Very low	63 Å²	63	108 Å²	108	33%	0.33	56%	0.564	S	S	.	*	H	α-helix	trans	-103.5	-23	172	-75.6	165	0	0	0	112.7	F119 T131 F132 G133	F119-L135 HydrophobicContact CD1-CD1 4.23Å; F119-L135 HydrophobicContact CE1-CD1 3.31Å; F119-L135 HydrophobicContact CE1-CD2 3.86Å; F119-L135 HydrophobicContact CE1-CG 4.05Å; F119-L135 HydrophobicContact CE2-CD1 4.21Å; F119-L135 HydrophobicContact CZ-CD1 3.27Å; F119-L135 HydrophobicContact CZ-CD2 3.67Å; F119-L135 HydrophobicContact CZ-CG 4.08Å; T131-L135 HydrophobicContact CG2-CD1 3.79Å; T131-L135 HydrophobicContact CG2-CG 4.34Å; T131-L135 VanDerWaalsContact O-CB 3.25Å; T131-L135 WeakPolarHBondContact O-CB 3.45Å; T131-L135 WeakPolarHBondContact O-CD1 3.14Å; T131-L135 WeakPolarHBondContact O-CG 3.26Å; T131-L135 PolarHBondContact O-N 2.79Å; F132-L135 PolarHBondContact O-N 2.94Å; G133-L135 PolarHBondContact O-N 2.82Å
136	F	52.1	Low	48.1	Very low	67 Å²	67	102.6 Å²	102.6	29%	0.294	56%	0.557	S	S	.	*	H	α-helix	trans	-101.8	-26.4	-175.9	-77.8	-106.9	0	0	0	112.1	K43 L46 F132 G133	K43-F136 HydrophobicContact CB-CE1 4.11Å; K43-F136 HydrophobicContact CB-CZ 4.34Å; K43-F136 HydrophobicContact CD-CE1 4.35Å; K43-F136 HydrophobicContact CG-CE1 3.9Å; K43-F136 HydrophobicContact CG-CZ 4.08Å; L46-F136 HydrophobicContact CD1-CE2 4.31Å; L46-F136 HydrophobicContact CD1-CZ 4.27Å; F132-F136 HydrophobicContact CD1-CD2 4.03Å; F132-F136 HydrophobicContact CD1-CE2 4.31Å; F132-F136 HydrophobicContact CD1-CG 4.39Å; F132-F136 AromaticContact CD2-CD2 3.8Å; F132-F136 HydrophobicContact CD2-CD2 3.8Å; F132-F136 AromaticContact CD2-CE2 3.34Å; F132-F136 HydrophobicContact CD2-CE2 3.34Å; F132-F136 HydrophobicContact CD2-CZ 4.03Å; F132-F136 HydrophobicContact CE1-CD1 4.32Å; F132-F136 HydrophobicContact CE1-CD2 4.02Å; F132-F136 HydrophobicContact CE1-CE1 4.41Å; F132-F136 HydrophobicContact CE1-CE2 4.1Å; F132-F136 HydrophobicContact CE1-CG 4.12Å; F132-F136 HydrophobicContact CE1-CZ 4.3Å; F132-F136 AromaticContact CE2-CD2 3.8Å; F132-F136 HydrophobicContact CE2-CD2 3.8Å; F132-F136 HydrophobicContact CE2-CE1 4.09Å; F132-F136 AromaticContact CE2-CE2 3.09Å; F132-F136 HydrophobicContact CE2-CE2 3.09Å; F132-F136 AromaticContact CE2-CZ 3.26Å; F132-F136 HydrophobicContact CE2-CZ 3.26Å; F132-F136 AromaticContact CG-CD2 3.91Å; F132-F136 HydrophobicContact CG-CD2 3.91Å; F132-F136 AromaticContact CG-CE2 3.96Å; F132-F136 HydrophobicContact CG-CE2 3.96Å; F132-F136 HydrophobicContact CZ-CD1 4.11Å; F132-F136 AromaticContact CZ-CD2 3.9Å; F132-F136 HydrophobicContact CZ-CD2 3.9Å; F132-F136 AromaticContact CZ-CE1 3.75Å; F132-F136 HydrophobicContact CZ-CE1 3.75Å; F132-F136 AromaticContact CZ-CE2 3.51Å; F132-F136 HydrophobicContact CZ-CE2 3.51Å; F132-F136 HydrophobicContact CZ-CG 4.18Å; F132-F136 AromaticContact CZ-CZ 3.42Å; F132-F136 HydrophobicContact CZ-CZ 3.42Å; F132-F136 VanDerWaalsContact CZ-CZ 3.42Å; F132-F136 VanDerWaalsContact O-CB 3.29Å; F132-F136 WeakPolarHBondContact O-CB 3.15Å; F132-F136 WeakPolarHBondContact O-CD2 3.23Å; F132-F136 PolarHBondContact O-N 3.03Å; G133-F136 PolarHBondContact O-N 3.4Å; G133-F136 VanDerWaalsContact O-N 3.11Å
137	D	50.3	Low	47.5	Very low	126 Å²	126	99.6 Å²	99.6	67%	0.674	56%	0.556	S	S	*	*	S	Bend	trans	-90.8	14	176.8	-71.5	-70.2	0	0	0	114.7	G133 P139	G133-D137 VanDerWaalsContact O-CB 3.28Å; G133-D137 WeakPolarHBondContact O-CB 3.05Å; G133-D137 PolarHBondContact O-N 3.06Å; D137-P139 WeakPolarHBondContact O-CD 3.46Å
138	D	51	Low	47.1	Very low	105 Å²	105	98 Å²	98	56%	0.561	55%	0.554	S	S	*	*			trans	-99.5	84.6	163.1	-72.3	-55.8	0	0	0	110.9	W140	D138-W140 PolarHBondContact O-N 2.84Å
139	P	41.1	Very low	47.1	Very low	102 Å²	102	100.5 Å²	100.5	66%	0.662	56%	0.561	S	S	*	*			trans	-78.1	108.7	164.2	33	-30.6	0	0	0	108.3	D137 E141	D137-P139 WeakPolarHBondContact O-CD 3.46Å; P139-E141 VanDerWaalsContact C-N 3.34Å; P139-E141 PolarHBondContact O-N 3.06Å
140	W	44.4	Very low	47.1	Very low	199 Å²	199	100.2 Å²	100.2	75%	0.754	56%	0.56	S	S	*	*	S	Bend	trans	74	-7	136.4	-171.9	-98.1	0	0	0	119.9	D138	D138-W140 PolarHBondContact O-N 2.84Å
141	E	47.9	Very low	47	Very low	186 Å²	186	94.8 Å²	94.8	87%	0.869	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	9.5	-179.5	-78	-164.9	116.7	0	0	116.9	P139	P139-E141 VanDerWaalsContact C-N 3.34Å; P139-E141 PolarHBondContact O-N 3.06Å
142	E	48	Very low	47	Very low	113 Å²	113	98.6 Å²	98.6	53%	0.528	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.5	5.9	174.2	-155.4	173.9	-165	0	0	113.9	G144 G147 G148	E142-G144 PolarHBondContact O-N 3.42Å; E142-G147 PolarHBondContact OE1-N 2.77Å; E142-G148 PolarHBondContact OE1-N 3.48Å; E142-G148 VanDerWaalsContact OE1-N 3.14Å
143	F	47.3	Very low	47.4	Very low	147 Å²	147	100.6 Å²	100.6	65%	0.645	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	12.8	170.1	-148	-96	0	0	0	112.8	E36	E36-F143 HydrophobicContact CG-CE2 4.39Å
144	G	39.5	Very low	47.5	Very low	73 Å²	73	107.1 Å²	107.1	75%	0.753	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-170.5	73.8	174.9	0	0	0	0	0	112	E142	E142-G144 PolarHBondContact O-N 3.42Å
145	G	39.8	Very low	47.5	Very low	54 Å²	54	106.7 Å²	106.7	56%	0.557	59%	0.594	S	S	*	*	S	Bend	trans	125.1	134.1	164.9	0	0	0	0	0	113.9
146	G	36.6	Very low	47.8	Very low	68 Å²	68	107.7 Å²	107.7	70%	0.701	61%	0.611	S	S	*	*			trans	-59.1	141.5	-166.6	0	0	0	0	0	115.5
147	G	39.4	Very low	48.2	Very low	64 Å²	64	112.2 Å²	112.2	66%	0.66	63%	0.631	S	S	*	*			trans	-168.7	7.3	179.8	0	0	0	0	0	118.9	E142	E142-G147 PolarHBondContact OE1-N 2.77Å
148	G	43.4	Very low	48	Very low	37 Å²	37	108.9 Å²	108.9	38%	0.381	63%	0.626	S	S	.	*	S	Bend	trans	-160.1	133	175.9	0	0	0	0	0	115.9	E142 F150	E142-G148 PolarHBondContact OE1-N 3.48Å; E142-G148 VanDerWaalsContact OE1-N 3.14Å; G148-F150 PolarHBondContact O-N 3.21Å
149	F	46.3	Very low	47.8	Very low	180 Å²	180	107.1 Å²	107.1	79%	0.789	63%	0.633	S	S	*	*	S	Bend	trans	52.3	-53.6	-170.7	-171.3	-102.5	0	0	0	116.1	M153	F149-M153 VanDerWaalsContact O-CB 3.3Å; F149-M153 WeakPolarHBondContact O-CB 3.46Å; F149-M153 PolarHBondContact O-N 3.14Å
150	F	46	Very low	48.1	Very low	156 Å²	156	105.3 Å²	105.3	68%	0.684	63%	0.627	S	S	*	*	H	α-helix	trans	-76.6	-27.3	171.9	-133.3	-91.2	0	0	0	112.1	G148 R154	G148-F150 PolarHBondContact O-N 3.21Å; F150-R154 WeakPolarHBondContact O-CB 3.49Å; F150-R154 PolarHBondContact O-N 3.24Å
151	G	50.8	Low	48.1	Very low	13 Å²	13	104.3 Å²	104.3	13%	0.134	63%	0.63	C	S	.	*	H	α-helix	trans	-75.7	-34.9	172.3	0	0	0	0	0	113.2	R154 S155	G151-R154 PolarHBondContact O-N 2.93Å; G151-S155 WeakPolarHBondContact O-CB 3.18Å; G151-S155 PolarHBondContact O-N 2.89Å; G151-S155 PolarHBondContact O-OG 3.45Å
152	D	54.7	Low	47.6	Very low	126 Å²	126	102.2 Å²	102.2	67%	0.674	63%	0.625	S	S	*	*	H	α-helix	trans	-71.3	-37.8	170.8	-164.4	-109.2	0	0	0	110.3	A156	D152-A156 WeakPolarHBondContact O-CB 3.28Å; D152-A156 PolarHBondContact O-N 3.24Å
153	M	56.9	Low	47	Very low	104 Å²	104	105.8 Å²	105.8	51%	0.512	64%	0.639	S	S	.	*	H	α-helix	trans	-66.7	-39.8	168.6	-164.4	176.4	-163.7	0	0	112.4	F149 A156 F157	F149-M153 VanDerWaalsContact O-CB 3.3Å; F149-M153 WeakPolarHBondContact O-CB 3.46Å; F149-M153 PolarHBondContact O-N 3.14Å; M153-A156 CarbonylContact O-C 3.55Å; M153-A156 PolarHBondContact O-N 2.86Å; M153-F157 WeakPolarHBondContact O-CA 3.1Å; M153-F157 WeakPolarHBondContact O-CB 3.2Å; M153-F157 PolarHBondContact O-N 3.48Å
154	R	54.6	Low	46.6	Very low	154 Å²	154	106.5 Å²	106.5	58%	0.581	65%	0.645	S	S	*	*	H	α-helix	trans	-76.8	-23.5	177.8	177.7	171.4	167.3	-175.9	-4	113.4	F150 G151 F157 G158	F150-R154 WeakPolarHBondContact O-CB 3.49Å; F150-R154 PolarHBondContact O-N 3.24Å; G151-R154 PolarHBondContact O-N 2.93Å; R154-F157 CarbonylContact O-C 3.44Å; R154-G158 WeakPolarHBondContact O-CA 3.28Å; R154-G158 PolarHBondContact O-N 3.5Å
155	S	54.6	Low	46.6	Very low	104 Å²	104	105.8 Å²	105.8	73%	0.727	64%	0.637	S	S	*	*	H	α-helix	trans	-83.7	-29.1	170.6	-58.3	0	0	0	0	111.3	G151	G151-S155 WeakPolarHBondContact O-CB 3.18Å; G151-S155 PolarHBondContact O-N 2.89Å; G151-S155 PolarHBondContact O-OG 3.45Å
156	A	59.6	Low	47	Very low	84 Å²	84	109 Å²	109	69%	0.694	65%	0.646	S	S	*	*	H	α-helix	trans	-77.6	-23	167	0	0	0	0	0	113.2	D152 M153	D152-A156 WeakPolarHBondContact O-CB 3.28Å; D152-A156 PolarHBondContact O-N 3.24Å; M153-A156 CarbonylContact O-C 3.55Å; M153-A156 PolarHBondContact O-N 2.86Å
157	F	60	Low	47.3	Very low	161 Å²	161	113 Å²	113	71%	0.706	65%	0.651	S	S	*	*	S	Bend	trans	-115.1	15.2	-178.4	-135	-91.3	0	0	0	113.5	M153 R154	M153-F157 WeakPolarHBondContact O-CA 3.1Å; M153-F157 WeakPolarHBondContact O-CB 3.2Å; M153-F157 PolarHBondContact O-N 3.48Å; R154-F157 CarbonylContact O-C 3.44Å
158	G	46.5	Very low	47.4	Very low	56 Å²	56	118 Å²	118	58%	0.577	66%	0.66	S	S	*	*			trans	47.6	108.5	159.6	0	0	0	0	0	118.5	R154	R154-G158 WeakPolarHBondContact O-CA 3.28Å; R154-G158 PolarHBondContact O-N 3.5Å
159	G	47.1	Very low	47.3	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	69%	0.687	S	S	*	*			trans	89	125.2	135.2	0	0	0	0	0	116.8
160	A	46.2	Very low	46.9	Very low	65 Å²	65	121.6 Å²	121.6	54%	0.537	67%	0.674	S	S	.	*			trans	-63.1	151.9	171.4	0	0	0	0	0	111.1
161	H	45	Very low	46.8	Very low	177 Å²	177	120.7 Å²	120.7	82%	0.819	67%	0.671	S	S	*	*				-167.1	140.1	119.1	-98.4	-71.1	0	0	0	109.3
162	D	36.5	Very low	46.3	Very low	143 Å²	143	128.4 Å²	128.4	77%	0.765	70%	0.703	S	S	*	*			trans	-39.4	145.9	170.3	-48.5	-93	0	0	0	112.6
163	F	36.2	Very low	45.8	Very low	187 Å²	187	129.3 Å²	129.3	82%	0.82	70%	0.701	S	S	*	*				175.3	133.8	121.3	-160.4	-119.2	0	0	0	110.7
164	E	39.5	Very low	45.3	Very low	163 Å²	163	128.7 Å²	128.7	76%	0.762	72%	0.722	S	S	*	*			trans	-51.1	144.8	166.6	-72.1	152.8	91.4	0	0	112.1
165	G	39.3	Very low	45	Very low	58 Å²	58	124.3 Å²	124.3	60%	0.598	72%	0.724	S	S	*	*	S	Bend	trans	77.4	125.1	146.9	0	0	0	0	0	115.9
166	T	47	Very low	45	Very low	121 Å²	121	123.8 Å²	123.8	74%	0.742	74%	0.735	S	S	*	*			trans	66	106.2	154.6	38.7	0	0	0	0	117.7
167	N	43	Very low	45.1	Very low	152 Å²	152	122 Å²	122	81%	0.813	72%	0.721	S	S	*	*				80.5	124.2	127.7	-50.9	-20.6	0	0	0	117.5
168	M	41.6	Very low	45.8	Very low	170 Å²	170	119.8 Å²	119.8	84%	0.837	72%	0.716	S	S	*	*			trans	86.7	71.6	165.5	-158.3	170.3	157.3	0	0	116.1	S170	M168-S170 VanDerWaalsContact C-N 3.29Å; M168-S170 PolarHBondContact O-N 3.35Å
169	F	41.8	Very low	47.3	Very low	216 Å²	216	119.9 Å²	119.9	95%	0.947	71%	0.707	S	S	*	*			trans	-71.8	93.4	150.6	-89	-84.9	0	0	0	108	F171	F169-F171 PolarHBondContact O-N 2.58Å
170	S	39.1	Very low	48.7	Very low	76 Å²	76	122.3 Å²	122.3	53%	0.531	70%	0.7	S	S	.	*			trans	-71.2	104.7	160.8	-155.2	0	0	0	0	106.6	M168 E172	M168-S170 VanDerWaalsContact C-N 3.29Å; M168-S170 PolarHBondContact O-N 3.35Å; S170-E172 VanDerWaalsContact C-N 3.32Å; S170-E172 PolarHBondContact O-N 2.69Å
171	F	42.7	Very low	50.4	Low	137 Å²	137	122.9 Å²	122.9	60%	0.601	70%	0.697	S	S	*	*			trans	-84.3	85.3	170.8	-155.1	-74.6	0	0	0	106.3	F169 F173	F169-F171 PolarHBondContact O-N 2.58Å; F171-F173 VanDerWaalsContact C-N 3.3Å; F171-F173 HydrophobicContact CD1-CD1 4.46Å; F171-F173 AromaticContact CD1-CD2 3.25Å; F171-F173 HydrophobicContact CD1-CD2 3.25Å; F171-F173 HydrophobicContact CD1-CE1 4.4Å; F171-F173 AromaticContact CD1-CE2 3.15Å; F171-F173 HydrophobicContact CD1-CE2 3.15Å; F171-F173 AromaticContact CD1-CG 3.94Å; F171-F173 HydrophobicContact CD1-CG 3.94Å; F171-F173 AromaticContact CD1-CZ 3.78Å; F171-F173 HydrophobicContact CD1-CZ 3.78Å; F171-F173 HydrophobicContact CE1-CD1 4.03Å; F171-F173 AromaticContact CE1-CD2 3.59Å; F171-F173 HydrophobicContact CE1-CD2 3.59Å; F171-F173 AromaticContact CE1-CE1 3.71Å; F171-F173 HydrophobicContact CE1-CE1 3.71Å; F171-F173 AromaticContact CE1-CE2 3.21Å; F171-F173 HydrophobicContact CE1-CE2 3.21Å; F171-F173 AromaticContact CE1-CG 3.97Å; F171-F173 HydrophobicContact CE1-CG 3.97Å; F171-F173 AromaticContact CE1-CZ 3.28Å; F171-F173 HydrophobicContact CE1-CZ 3.28Å; F171-F173 HydrophobicContact CG-CD2 4.38Å; F171-F173 HydrophobicContact CG-CE2 4.15Å; F171-F173 HydrophobicContact CZ-CE2 4.26Å; F171-F173 HydrophobicContact CZ-CZ 4.09Å; F171-F173 PolarHBondContact O-N 2.95Å
172	E	40.8	Very low	52.1	Low	174 Å²	174	117 Å²	117	81%	0.813	67%	0.671	S	S	*	*			trans	-71.5	92.6	168.2	-89.2	174.6	101.6	0	0	107.9	S170 G174	S170-E172 VanDerWaalsContact C-N 3.32Å; S170-E172 PolarHBondContact O-N 2.69Å; E172-G174 PolarHBondContact O-N 3.38Å
173	F	43.2	Very low	54.4	Low	146 Å²	146	113.6 Å²	113.6	64%	0.64	66%	0.655	S	S	*	*			trans	-60.8	108.1	157.5	-84.8	-85.4	0	0	0	106.6	F171 G175	F171-F173 VanDerWaalsContact C-N 3.3Å; F171-F173 HydrophobicContact CD1-CD1 4.46Å; F171-F173 AromaticContact CD1-CD2 3.25Å; F171-F173 HydrophobicContact CD1-CD2 3.25Å; F171-F173 HydrophobicContact CD1-CE1 4.4Å; F171-F173 AromaticContact CD1-CE2 3.15Å; F171-F173 HydrophobicContact CD1-CE2 3.15Å; F171-F173 AromaticContact CD1-CG 3.94Å; F171-F173 HydrophobicContact CD1-CG 3.94Å; F171-F173 AromaticContact CD1-CZ 3.78Å; F171-F173 HydrophobicContact CD1-CZ 3.78Å; F171-F173 HydrophobicContact CE1-CD1 4.03Å; F171-F173 AromaticContact CE1-CD2 3.59Å; F171-F173 HydrophobicContact CE1-CD2 3.59Å; F171-F173 AromaticContact CE1-CE1 3.71Å; F171-F173 HydrophobicContact CE1-CE1 3.71Å; F171-F173 AromaticContact CE1-CE2 3.21Å; F171-F173 HydrophobicContact CE1-CE2 3.21Å; F171-F173 AromaticContact CE1-CG 3.97Å; F171-F173 HydrophobicContact CE1-CG 3.97Å; F171-F173 AromaticContact CE1-CZ 3.28Å; F171-F173 HydrophobicContact CE1-CZ 3.28Å; F171-F173 HydrophobicContact CG-CD2 4.38Å; F171-F173 HydrophobicContact CG-CE2 4.15Å; F171-F173 HydrophobicContact CZ-CE2 4.26Å; F171-F173 HydrophobicContact CZ-CZ 4.09Å; F171-F173 PolarHBondContact O-N 2.95Å; F173-G175 VanDerWaalsContact C-N 3.25Å; F173-G175 PolarHBondContact O-N 3.45Å
174	G	47.6	Very low	56.7	Low	91 Å²	91	111.1 Å²	111.1	94%	0.938	64%	0.644	S	S	*	*	S	Bend	trans	-54.7	95.8	162.6	0	0	0	0	0	108.5	E172	E172-G174 PolarHBondContact O-N 3.38Å
175	G	48.4	Very low	58.8	Low	61 Å²	61	112 Å²	112	63%	0.629	64%	0.641	S	S	*	*	S	Bend	trans	159.4	46.9	-169.7	0	0	0	0	0	114.5	F173 A177	F173-G175 VanDerWaalsContact C-N 3.25Å; F173-G175 PolarHBondContact O-N 3.45Å; G175-A177 VanDerWaalsContact C-N 3.28Å; G175-A177 PolarHBondContact O-N 3.2Å
176	G	54.3	Low	60.9	Low	93 Å²	93	114.4 Å²	114.4	96%	0.959	64%	0.644	S	S	*	*	S	Bend	trans	59.4	-0.1	146	0	0	0	0	0	122.1
177	A	62.2	Low	62.7	Low	48 Å²	48	111.6 Å²	111.6	40%	0.397	64%	0.639	S	S	.	*	S	Bend	trans	-129.3	127.3	175.5	0	0	0	0	0	110.1	G175 C179	G175-A177 VanDerWaalsContact C-N 3.28Å; G175-A177 PolarHBondContact O-N 3.2Å; A177-C179 PolarHBondContact O-N 3.22Å
178	N	73.7	Confident	64.6	Low	114 Å²	114	111.6 Å²	111.6	61%	0.61	64%	0.639	S	S	*	*			trans	-73	92.4	179.8	50.6	-48.7	0	0	0	109.9	H197	N178-H197 WeakPolarHBondContact ND2-CB 3.38Å; N178-H197 PolarHBondContact O-N 2.79Å; N178-H197 WeakPolarHBondContact OD1-CB 3.39Å; N178-H197 PolarHBondContact OD1-O 2.97Å
179	C	77.9	Confident	66.1	Low	58 Å²	58	107.8 Å²	107.8	39%	0.392	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.7	124.5	175.7	-58.5	0	0	0	0	112.4	A177 T194 R195 C196	A177-C179 PolarHBondContact O-N 3.22Å; C179-T194 HydrophobicContact CB-CG2 4.22Å; C179-R195 CarbonylContact C-O 3.47Å; C179-R195 VanDerWaalsContact CA-O 3.27Å; C179-R195 WeakPolarHBondContact CA-O 3.48Å; C179-C196 HydrophobicContact CB-CB 4.05Å; C179-C196 WeakPolarHBondContact CB-SG 3.25Å; C179-C196 WeakPolarHBondContact SG-CB 3.36Å; C179-C196 CovalentContact SG-SG 2.03Å; C179-C196 PolarHBondContact SG-SG 2.83Å
180	E	77.4	Confident	68.1	Low	119 Å²	119	102.9 Å²	102.9	56%	0.556	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.4	123	172.4	-171.8	-176	173	0	0	109.9	I182 T194 R195	E180-I182 HydrophobicContact CG-CG1 4.09Å; E180-T194 WeakPolarHBondContact O-CA 3.45Å; E180-R195 PolarHBondContact N-O 3.13Å; E180-R195 PolarHBondContact O-N 2.79Å
181	T	81.4	Confident	70.1	Confident	76 Å²	76	102.7 Å²	102.7	47%	0.466	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.4	110.6	173.1	-60.5	0	0	0	0	110.7	R192 T194	T181-R192 HydrophobicContact CG2-CG 4.35Å; T181-T194 WeakPolarHBondContact CG2-OG1 2.93Å; T181-T194 WeakPolarHBondContact OG1-CG2 3.13Å; T181-T194 PolarHBondContact OG1-OG1 3.03Å
182	I	80.9	Confident	72.2	Confident	53 Å²	53	105.3 Å²	105.3	27%	0.272	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.9	118.8	178.5	-53.5	176.1	0	0	0	108.7	E180 K184 T193	E180-I182 HydrophobicContact CG-CG1 4.09Å; I182-K184 HydrophobicContact CG2-CG 4.11Å; I182-T193 PolarHBondContact N-O 3.11Å; I182-T193 PolarHBondContact O-N 3.43Å
183	T	84.6	Confident	74.1	Confident	72 Å²	72	100.2 Å²	100.2	44%	0.442	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.2	117.4	171.6	-54.4	0	0	0	0	109.2	I190 T191 R192	T183-I190 HydrophobicContact CG2-CG2 3.38Å; T183-T191 WeakPolarHBondContact CA-O 3.4Å; T183-R192 HydrophobicContact CG2-CG 4.05Å; T183-R192 VanDerWaalsContact OG1-CG 3.3Å; T183-R192 WeakPolarHBondContact OG1-CG 3.5Å; T183-R192 PolarHBondContact OG1-NE 2.88Å
184	K	84.1	Confident	75.9	Confident	135 Å²	135	97.2 Å²	97.2	59%	0.587	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.1	129.1	173.7	-70.8	-170.6	175.6	-176.7	0	110.1	I182 T191	I182-K184 HydrophobicContact CG2-CG 4.11Å; K184-T191 PolarHBondContact N-O 3.4Å; K184-T191 PolarHBondContact O-N 2.93Å
185	R	84.7	Confident	77.4	Confident	181 Å²	181	100.4 Å²	100.4	68%	0.683	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.8	123.8	170.9	-175	178.9	-177.4	176.4	5.8	109.3	G187 T189 I190	R185-G187 WeakPolarHBondContact CG-O 3.19Å; R185-G187 PolarHBondContact NE-O 2.92Å; R185-G187 VanDerWaalsContact NE-O 3.14Å; R185-T189 WeakPolarHBondContact CA-O 3.35Å; R185-I190 HydrophobicContact CB-CG1 4.49Å; R185-I190 HydrophobicContact CG-CG1 4.21Å
186	V	82.8	Confident	78.9	Confident	110 Å²	110	101.4 Å²	101.4	67%	0.667	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.5	107.4	171	-177.4	0	0	0	0	107.2	N188 T189	V186-N188 PolarHBondContact O-N 3.45Å; V186-T189 PolarHBondContact N-O 2.95Å; V186-T189 PolarHBondContact O-N 3.09Å; V186-T189 VanDerWaalsContact O-N 3.15Å
187	G	84.3	Confident	79.9	Confident	61 Å²	61	105.9 Å²	105.9	63%	0.629	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.8	-127.4	-171.8	0	0	0	0	0	112.4	R185 T189	R185-G187 WeakPolarHBondContact CG-O 3.19Å; R185-G187 PolarHBondContact NE-O 2.92Å; R185-G187 VanDerWaalsContact NE-O 3.14Å; G187-T189 VanDerWaalsContact C-N 3.32Å
188	N	83.1	Confident	80.8	Confident	152 Å²	152	108.8 Å²	108.8	81%	0.813	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	3.7	176.9	-134.4	26.2	0	0	0	113.5	V186	V186-N188 PolarHBondContact O-N 3.45Å
189	T	73.4	Confident	81.1	Confident	91 Å²	91	108.5 Å²	108.5	56%	0.558	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.4	126.1	-179	-53.9	0	0	0	0	110.5	R185 V186 G187	R185-T189 WeakPolarHBondContact CA-O 3.35Å; V186-T189 PolarHBondContact N-O 2.95Å; V186-T189 PolarHBondContact O-N 3.09Å; V186-T189 VanDerWaalsContact O-N 3.15Å; G187-T189 VanDerWaalsContact C-N 3.32Å
190	I	83.2	Confident	81.3	Confident	113 Å²	113	111.3 Å²	111.3	58%	0.579	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.6	115.6	174	-58.8	175.8	0	0	0	107.8	T183 R185	T183-I190 HydrophobicContact CG2-CG2 3.38Å; R185-I190 HydrophobicContact CB-CG1 4.49Å; R185-I190 HydrophobicContact CG-CG1 4.21Å
191	T	81.9	Confident	81.6	Confident	72 Å²	72	110.9 Å²	110.9	44%	0.442	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.5	123.7	176	-53.2	0	0	0	0	109.3	T183 K184	T183-T191 WeakPolarHBondContact CA-O 3.4Å; K184-T191 PolarHBondContact N-O 3.4Å; K184-T191 PolarHBondContact O-N 2.93Å
192	R	85.3	Confident	81.6	Confident	192 Å²	192	113.1 Å²	113.1	73%	0.725	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.5	119.6	169.4	-92.4	179.3	172.8	170.7	-3	109.2	T181 T183	T181-R192 HydrophobicContact CG2-CG 4.35Å; T183-R192 HydrophobicContact CG2-CG 4.05Å; T183-R192 VanDerWaalsContact OG1-CG 3.3Å; T183-R192 WeakPolarHBondContact OG1-CG 3.5Å; T183-R192 PolarHBondContact OG1-NE 2.88Å
193	T	81.3	Confident	81.6	Confident	66 Å²	66	117.1 Å²	117.1	41%	0.405	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.1	116	173.5	-53.3	0	0	0	0	108.4	I182 R195	I182-T193 PolarHBondContact N-O 3.11Å; I182-T193 PolarHBondContact O-N 3.43Å; T193-R195 HydrophobicContact CG2-CG 4.44Å
194	T	81.5	Confident	81.4	Confident	83 Å²	83	120.3 Å²	120.3	51%	0.509	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.8	123.3	173	-56.6	0	0	0	0	109	C179 E180 T181	C179-T194 HydrophobicContact CB-CG2 4.22Å; E180-T194 WeakPolarHBondContact O-CA 3.45Å; T181-T194 WeakPolarHBondContact CG2-OG1 2.93Å; T181-T194 WeakPolarHBondContact OG1-CG2 3.13Å; T181-T194 PolarHBondContact OG1-OG1 3.03Å
195	R	79.1	Confident	81.2	Confident	159 Å²	159	119.2 Å²	119.2	60%	0.6	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.7	128.5	173.3	-68	-174.8	179.9	-179.6	-1.9	108.4	C179 E180 T193	C179-R195 CarbonylContact C-O 3.47Å; C179-R195 VanDerWaalsContact CA-O 3.27Å; C179-R195 WeakPolarHBondContact CA-O 3.48Å; E180-R195 PolarHBondContact N-O 3.13Å; E180-R195 PolarHBondContact O-N 2.79Å; T193-R195 HydrophobicContact CG2-CG 4.44Å
196	C	79.8	Confident	80.9	Confident	81 Å²	81	114 Å²	114	55%	0.547	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.4	133	172.9	-61.2	0	0	0	0	109.3	C179	C179-C196 HydrophobicContact CB-CB 4.05Å; C179-C196 WeakPolarHBondContact CB-SG 3.25Å; C179-C196 WeakPolarHBondContact SG-CB 3.36Å; C179-C196 CovalentContact SG-SG 2.03Å; C179-C196 PolarHBondContact SG-SG 2.83Å
197	H	75.1	Confident	80.7	Confident	188 Å²	188	114.4 Å²	114.4	87%	0.87	61%	0.607	S	S	*	*			trans	-94.3	0	173.8	-98.8	-74.8	0	0	0	111.8	N178	N178-H197 WeakPolarHBondContact ND2-CB 3.38Å; N178-H197 PolarHBondContact O-N 2.79Å; N178-H197 WeakPolarHBondContact OD1-CB 3.39Å; N178-H197 PolarHBondContact OD1-O 2.97Å

Retrieved 197 of 197 residues in 1051.9 ms (Link to these results)

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