A0A077Z1I4_TRITR Loading...

Globin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1I4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 198 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	26.7	Very low	55.5	Low	235 Å²	235	113.5 Å²	113.5	100%	1.158	58%	0.582	S	S	*	*				0	106.3	0	-158.1	-175.6	-85.1	0	0	107.2	R3	M1-R3 PolarHBondContact O-N 3.23Å
2	L	31.2	Very low	57	Low	80 Å²	80	105.5 Å²	105.5	42%	0.419	54%	0.543	S	S	.	.			trans	-56.4	121	172.3	-105.3	136.5	0	0	0	107.3	S4 A175 Y179	L2-S4 PolarHBondContact O-N 3.36Å; L2-A175 HydrophobicContact CB-CB 4.46Å; L2-A175 HydrophobicContact CD1-CB 3.56Å; L2-A175 HydrophobicContact CG-CB 3.51Å; L2-Y179 HydrophobicContact CD1-CD2 4.39Å
3	R	37.5	Very low	58.3	Low	196 Å²	196	106.6 Å²	106.6	74%	0.74	54%	0.541	S	S	*	.			trans	-73.6	87.1	160.5	-74.5	-173.8	179.9	172.3	2.2	105.9	M1	M1-R3 PolarHBondContact O-N 3.23Å
4	S	44.7	Very low	59.4	Low	71 Å²	71	101.9 Å²	101.9	50%	0.497	52%	0.52	S	S	.	.			trans	-50.3	140.1	162.7	39.4	0	0	0	0	108.2	L2 N6	L2-S4 PolarHBondContact O-N 3.36Å; S4-N6 PolarHBondContact O-N 2.93Å; S4-N6 PolarHBondContact O-OD1 3.27Å; S4-N6 PolarHBondContact OG-OD1 3.4Å
5	L	54.5	Low	60.2	Low	117 Å²	117	97.2 Å²	97.2	61%	0.613	50%	0.496	S	S	*	.			trans	-57.7	97.4	158.9	-86.6	150.5	0	0	0	105.7	L7 L88	L5-L7 HydrophobicContact CB-CG 4.4Å; L5-L7 PolarHBondContact O-N 2.98Å; L5-L88 HydrophobicContact CD1-CD2 3.54Å
6	N	58.8	Low	61.2	Low	142 Å²	142	94.4 Å²	94.4	76%	0.759	48%	0.481	S	S	*	.			trans	-75.7	62.1	178.4	-74	-11.2	0	0	0	108.8	S4	S4-N6 PolarHBondContact O-N 2.93Å; S4-N6 PolarHBondContact O-OD1 3.27Å; S4-N6 PolarHBondContact OG-OD1 3.4Å
7	L	63.4	Low	62.2	Low	52 Å²	52	94 Å²	94	27%	0.272	48%	0.476	S	S	.	.			trans	-84.3	126.1	168.3	-64.6	176.9	0	0	0	106.9	L5 D11 V12 I15 I81	L5-L7 HydrophobicContact CB-CG 4.4Å; L5-L7 PolarHBondContact O-N 2.98Å; L7-D11 HydrophobicContact CB-CB 4.22Å; L7-D11 HydrophobicContact CD2-CB 4.21Å; L7-V12 HydrophobicContact CB-CG2 3.8Å; L7-V12 HydrophobicContact CD1-CG2 4.43Å; L7-I15 HydrophobicContact CD1-CD1 4Å; L7-I81 HydrophobicContact CD1-CG2 3.97Å
8	S	72.6	Confident	62.8	Low	46 Å²	46	89.7 Å²	89.7	32%	0.322	46%	0.456	S	S	.	.			trans	-64.2	154.8	171.3	70	0	0	0	0	109.2	K10 D11 V12	S8-K10 PolarHBondContact O-N 3.24Å; S8-D11 WeakPolarHBondContact CB-OD2 3.29Å; S8-D11 PolarHBondContact N-OD2 2.87Å; S8-D11 WeakPolarHBondContact O-CA 3.4Å; S8-D11 WeakPolarHBondContact O-CB 3.38Å; S8-D11 PolarHBondContact O-N 3.39Å; S8-D11 PolarHBondContact OG-N 2.68Å; S8-D11 VanDerWaalsContact OG-N 3.14Å; S8-D11 PolarHBondContact OG-OD1 3.1Å; S8-D11 PolarHBondContact OG-OD2 3.09Å; S8-V12 PolarHBondContact O-N 3.26Å
9	P	76.1	Confident	63.8	Low	115 Å²	115	86.2 Å²	86.2	75%	0.747	44%	0.437	S	S	*	.	H	α-helix	trans	-52.6	-30	173.1	-28.2	35.6	0	0	0	113	K13	P9-K13 WeakPolarHBondContact O-CB 3.33Å; P9-K13 PolarHBondContact O-N 3.33Å
10	K	75	Confident	64.7	Low	157 Å²	157	88.7 Å²	88.7	68%	0.683	45%	0.448	S	S	*	.	H	α-helix	trans	-66.1	-44.7	173	-175	-179.6	179.2	-179.9	0	112	S8 K13 V14	S8-K10 PolarHBondContact O-N 3.24Å; K10-K13 PolarHBondContact O-N 3.31Å; K10-V14 WeakPolarHBondContact O-CB 2.78Å; K10-V14 VanDerWaalsContact O-CG2 3.22Å; K10-V14 WeakPolarHBondContact O-CG2 3.3Å; K10-V14 PolarHBondContact O-N 2.92Å
11	D	70.4	Confident	65.5	Low	37 Å²	37	91.3 Å²	91.3	20%	0.198	46%	0.459	C	S	.	.	H	α-helix	trans	-65.2	-41.4	178.1	-56.6	-40.7	0	0	0	111.3	L7 S8 V14 I15 V135	L7-D11 HydrophobicContact CB-CB 4.22Å; L7-D11 HydrophobicContact CD2-CB 4.21Å; S8-D11 WeakPolarHBondContact CB-OD2 3.29Å; S8-D11 PolarHBondContact N-OD2 2.87Å; S8-D11 WeakPolarHBondContact O-CA 3.4Å; S8-D11 WeakPolarHBondContact O-CB 3.38Å; S8-D11 PolarHBondContact O-N 3.39Å; S8-D11 PolarHBondContact OG-N 2.68Å; S8-D11 VanDerWaalsContact OG-N 3.14Å; S8-D11 PolarHBondContact OG-OD1 3.1Å; S8-D11 PolarHBondContact OG-OD2 3.09Å; D11-V14 PolarHBondContact O-N 3.29Å; D11-I15 VanDerWaalsContact O-CG1 3.29Å; D11-I15 WeakPolarHBondContact O-CG1 3.31Å; D11-I15 PolarHBondContact O-N 2.92Å; D11-V135 HydrophobicContact CB-CG1 4.45Å; D11-V135 WeakPolarHBondContact OD1-CG1 3.39Å
12	V	72.8	Confident	68.2	Low	18 Å²	18	80.9 Å²	80.9	11%	0.109	41%	0.408	C	S	.	.	H	α-helix	trans	-58.7	-51.8	175	174.8	0	0	0	0	110.7	L7 S8 V14 I15 E16 I81 K82	L7-V12 HydrophobicContact CB-CG2 3.8Å; L7-V12 HydrophobicContact CD1-CG2 4.43Å; S8-V12 PolarHBondContact O-N 3.26Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 2.72Å; V12-I15 PolarHBondContact O-N 3.18Å; V12-I15 VanDerWaalsContact O-N 3.13Å; V12-E16 HydrophobicContact CG1-CG 4.42Å; V12-E16 WeakPolarHBondContact O-CG 3.47Å; V12-E16 PolarHBondContact O-N 3.04Å; V12-I81 HydrophobicContact CB-CG2 4.07Å; V12-I81 HydrophobicContact CG1-CG2 3.63Å; V12-I81 HydrophobicContact CG2-CG2 3.57Å; V12-K82 HydrophobicContact CG1-CB 4Å; V12-K82 HydrophobicContact CG1-CG 4.47Å
13	K	74.5	Confident	70.8	Confident	120 Å²	120	87.2 Å²	87.2	52%	0.522	43%	0.432	S	S	.	.	H	α-helix	trans	-57.7	-43	178.6	-179.6	172.5	175.2	175.7	0	111.7	P9 K10 I15 E16 E17	P9-K13 WeakPolarHBondContact O-CB 3.33Å; P9-K13 PolarHBondContact O-N 3.33Å; K10-K13 PolarHBondContact O-N 3.31Å; K13-I15 PolarHBondContact O-N 3.45Å; K13-E16 PolarHBondContact O-N 3.49Å; K13-E17 WeakPolarHBondContact CE-OE1 3.39Å; K13-E17 HydrophobicContact CG-CG 4.31Å; K13-E17 IonicContact NZ-OE1 2.77Å; K13-E17 WeakPolarHBondContact O-CB 3.2Å; K13-E17 VanDerWaalsContact O-CG 3.29Å; K13-E17 WeakPolarHBondContact O-CG 3.39Å; K13-E17 PolarHBondContact O-N 3.25Å
14	V	73.2	Confident	73.3	Confident	40 Å²	40	81.8 Å²	81.8	24%	0.242	42%	0.418	C	S	.	.	H	α-helix	trans	-63.4	-40.5	177.6	168.1	0	0	0	0	111.8	K10 D11 V12 S18 A132	K10-V14 WeakPolarHBondContact O-CB 2.78Å; K10-V14 VanDerWaalsContact O-CG2 3.22Å; K10-V14 WeakPolarHBondContact O-CG2 3.3Å; K10-V14 PolarHBondContact O-N 2.92Å; D11-V14 PolarHBondContact O-N 3.29Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 2.72Å; V14-S18 WeakPolarHBondContact O-CB 3.36Å; V14-S18 PolarHBondContact O-N 2.97Å; V14-S18 PolarHBondContact O-OG 2.89Å; V14-A132 HydrophobicContact CG1-CB 3.29Å
15	I	71.5	Confident	75.4	Confident	32 Å²	32	80.6 Å²	80.6	16%	0.164	40%	0.403	C	S	.	.	H	α-helix	trans	-65.8	-47.6	177.1	-68.4	163.3	0	0	0	110.7	L7 D11 V12 K13 S18 W19 V78 I81 L136	L7-I15 HydrophobicContact CD1-CD1 4Å; D11-I15 VanDerWaalsContact O-CG1 3.29Å; D11-I15 WeakPolarHBondContact O-CG1 3.31Å; D11-I15 PolarHBondContact O-N 2.92Å; V12-I15 PolarHBondContact O-N 3.18Å; V12-I15 VanDerWaalsContact O-N 3.13Å; K13-I15 PolarHBondContact O-N 3.45Å; I15-S18 PolarHBondContact O-N 3.28Å; I15-W19 PolarHBondContact O-N 3.42Å; I15-V78 HydrophobicContact CG2-CG2 4.28Å; I15-I81 HydrophobicContact CB-CD1 4.47Å; I15-I81 HydrophobicContact CD1-CD1 4.32Å; I15-I81 HydrophobicContact CG2-CD1 3.67Å; I15-L136 HydrophobicContact CD1-CD2 4.42Å; I15-L136 HydrophobicContact CG1-CD2 4.44Å
16	E	76.9	Confident	77.2	Confident	53 Å²	53	79.5 Å²	79.5	25%	0.248	40%	0.395	C	S	.	.	H	α-helix	trans	-59.2	-52.8	177.8	-72.5	178.6	157.5	0	0	111.1	V12 K13 S18 W19 M20 V78 K82	V12-E16 HydrophobicContact CG1-CG 4.42Å; V12-E16 WeakPolarHBondContact O-CG 3.47Å; V12-E16 PolarHBondContact O-N 3.04Å; K13-E16 PolarHBondContact O-N 3.49Å; E16-S18 VanDerWaalsContact C-N 3.32Å; E16-S18 PolarHBondContact O-N 3.24Å; E16-W19 PolarHBondContact O-N 2.98Å; E16-M20 VanDerWaalsContact O-CG 3.31Å; E16-M20 WeakPolarHBondContact O-CG 3.45Å; E16-M20 PolarHBondContact O-N 3.04Å; E16-V78 HydrophobicContact CG-CG1 4.31Å; E16-K82 WeakPolarHBondContact OE1-CB 3.13Å
17	E	76.8	Confident	78.8	Confident	87 Å²	87	79.3 Å²	79.3	41%	0.407	39%	0.388	S	S	.	.	H	α-helix	trans	-57.3	-48.3	177.6	-75	174.6	169.7	0	0	110.2	K13 W19 M20 H21	K13-E17 WeakPolarHBondContact CE-OE1 3.39Å; K13-E17 HydrophobicContact CG-CG 4.31Å; K13-E17 IonicContact NZ-OE1 2.77Å; K13-E17 WeakPolarHBondContact O-CB 3.2Å; K13-E17 VanDerWaalsContact O-CG 3.29Å; K13-E17 WeakPolarHBondContact O-CG 3.39Å; K13-E17 PolarHBondContact O-N 3.25Å; E17-W19 VanDerWaalsContact C-N 3.29Å; E17-W19 PolarHBondContact O-N 3.45Å; E17-M20 PolarHBondContact O-N 3.42Å; E17-M20 VanDerWaalsContact O-N 3.1Å; E17-H21 PolarHBondContact O-N 3.45Å; E17-H21 PolarHBondContact O-ND1 3.33Å
18	S	74.2	Confident	80.2	Confident	17 Å²	17	77 Å²	77	12%	0.119	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-39.4	-178.7	-62.3	0	0	0	0	113.2	V14 I15 E16 I22 Q127	V14-S18 WeakPolarHBondContact O-CB 3.36Å; V14-S18 PolarHBondContact O-N 2.97Å; V14-S18 PolarHBondContact O-OG 2.89Å; I15-S18 PolarHBondContact O-N 3.28Å; E16-S18 VanDerWaalsContact C-N 3.32Å; E16-S18 PolarHBondContact O-N 3.24Å; S18-I22 WeakPolarHBondContact O-CG1 3.48Å; S18-Q127 PolarHBondContact OG-NE2 2.95Å
19	W	81.3	Confident	81.2	Confident	23 Å²	23	74.8 Å²	74.8	9%	0.087	36%	0.36	C	S	.	.	H	α-helix	trans	-67.5	-39.7	175.5	-176.9	-109.4	0	0	0	112.4	I15 E16 E17 H21 I22 K25 L28 L74 V78	I15-W19 PolarHBondContact O-N 3.42Å; E16-W19 PolarHBondContact O-N 2.98Å; E17-W19 VanDerWaalsContact C-N 3.29Å; E17-W19 PolarHBondContact O-N 3.45Å; W19-H21 VanDerWaalsContact C-N 3.34Å; W19-H21 PolarHBondContact O-N 3.13Å; W19-I22 HydrophobicContact CE3-CD1 4.16Å; W19-I22 PolarHBondContact O-N 3.35Å; W19-K25 HydrophobicContact CH2-CD 4.36Å; W19-K25 HydrophobicContact CH2-CG 4.36Å; W19-K25 HydrophobicContact CZ2-CD 3.68Å; W19-K25 HydrophobicContact CZ2-CG 4.17Å; W19-K25 WeakPolarHBondContact O-CE 3.49Å; W19-K25 PolarHBondContact O-NZ 3.04Å; W19-L28 HydrophobicContact CZ3-CD2 3.88Å; W19-L74 HydrophobicContact CH2-CB 3.51Å; W19-L74 HydrophobicContact CH2-CD1 4.1Å; W19-L74 HydrophobicContact CH2-CG 4.47Å; W19-L74 HydrophobicContact CZ2-CB 4.09Å; W19-L74 HydrophobicContact CZ3-CB 3.95Å; W19-L74 HydrophobicContact CZ3-CD1 4.14Å; W19-V78 HydrophobicContact CB-CB 4.37Å; W19-V78 HydrophobicContact CB-CG1 3.79Å; W19-V78 HydrophobicContact CB-CG2 3.91Å; W19-V78 HydrophobicContact CD2-CG2 3.93Å; W19-V78 HydrophobicContact CE3-CG2 4.36Å; W19-V78 HydrophobicContact CG-CB 4.08Å; W19-V78 HydrophobicContact CG-CG1 3.88Å; W19-V78 HydrophobicContact CG-CG2 3.71Å
20	M	82.3	Confident	82.1	Confident	135 Å²	135	71.1 Å²	71.1	67%	0.665	33%	0.334	S	S	*	.	H	α-helix	trans	-67.8	-32.9	178	-68.9	-56.6	-65.8	0	0	112.7	E16 E17 I22	E16-M20 VanDerWaalsContact O-CG 3.31Å; E16-M20 WeakPolarHBondContact O-CG 3.45Å; E16-M20 PolarHBondContact O-N 3.04Å; E17-M20 PolarHBondContact O-N 3.42Å; E17-M20 VanDerWaalsContact O-N 3.1Å; M20-I22 VanDerWaalsContact C-N 3.27Å; M20-I22 PolarHBondContact O-N 3.01Å
21	H	81.1	Confident	83	Confident	145 Å²	145	65.3 Å²	65.3	67%	0.671	31%	0.309	S	S	*	.	H	α-helix	trans	-74	-14.6	178.4	-74.5	80.3	0	0	0	113.8	E17 W19 K23	E17-H21 PolarHBondContact O-N 3.45Å; E17-H21 PolarHBondContact O-ND1 3.33Å; W19-H21 VanDerWaalsContact C-N 3.34Å; W19-H21 PolarHBondContact O-N 3.13Å; H21-K23 PolarHBondContact O-N 3.33Å; H21-K23 VanDerWaalsContact O-N 3.09Å
22	I	83	Confident	84	Confident	16 Å²	16	63.6 Å²	63.6	8%	0.082	30%	0.3	C	S	.	.			trans	-74.1	103.2	173.7	-64.6	162.9	0	0	0	108.1	S18 W19 M20 D24 K25 L28	S18-I22 WeakPolarHBondContact O-CG1 3.48Å; W19-I22 HydrophobicContact CE3-CD1 4.16Å; W19-I22 PolarHBondContact O-N 3.35Å; M20-I22 VanDerWaalsContact C-N 3.27Å; M20-I22 PolarHBondContact O-N 3.01Å; I22-D24 VanDerWaalsContact C-N 3.35Å; I22-D24 WeakPolarHBondContact CG2-O 3.29Å; I22-K25 HydrophobicContact CB-CG 4.46Å; I22-K25 HydrophobicContact CG2-CG 4.02Å; I22-K25 PolarHBondContact O-NZ 3.42Å; I22-L28 HydrophobicContact CD1-CD1 4.19Å; I22-L28 HydrophobicContact CD1-CD2 3.92Å; I22-L28 HydrophobicContact CG2-CB 4.2Å; I22-L28 HydrophobicContact CG2-CD2 4.42Å
23	K	85.1	Confident	85	Confident	212 Å²	212	62.7 Å²	62.7	92%	0.922	30%	0.295	S	S	*	.	S	Bend	trans	-61.5	-42.2	-179.3	-67.1	-172.7	178.3	-174.6	0	112.4	H21	H21-K23 PolarHBondContact O-N 3.33Å; H21-K23 VanDerWaalsContact O-N 3.09Å
24	D	90.3	Very high	85.9	Confident	83 Å²	83	60.2 Å²	60.2	44%	0.444	29%	0.285	S	S	.	.			trans	-122.7	93.1	-175.2	-170.8	-16.3	0	0	0	109.1	I22 E26 K27 L28	I22-D24 VanDerWaalsContact C-N 3.35Å; I22-D24 WeakPolarHBondContact CG2-O 3.29Å; D24-E26 PolarHBondContact OD1-N 3.37Å; D24-K27 HydrophobicContact CB-CB 4.03Å; D24-K27 WeakPolarHBondContact OD1-CB 3.4Å; D24-K27 PolarHBondContact OD1-N 3.5Å; D24-K27 VanDerWaalsContact OD2-CB 3.25Å; D24-K27 WeakPolarHBondContact OD2-CB 3.19Å; D24-L28 PolarHBondContact O-N 2.96Å
25	K	89.5	Confident	86.8	Confident	45 Å²	45	62.7 Å²	62.7	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-75	-34.4	-178.1	-69.1	172.4	177.5	62	0	111.2	W19 I22 L28 V29 E71	W19-K25 HydrophobicContact CH2-CD 4.36Å; W19-K25 HydrophobicContact CH2-CG 4.36Å; W19-K25 HydrophobicContact CZ2-CD 3.68Å; W19-K25 HydrophobicContact CZ2-CG 4.17Å; W19-K25 WeakPolarHBondContact O-CE 3.49Å; W19-K25 PolarHBondContact O-NZ 3.04Å; I22-K25 HydrophobicContact CB-CG 4.46Å; I22-K25 HydrophobicContact CG2-CG 4.02Å; I22-K25 PolarHBondContact O-NZ 3.42Å; K25-L28 WeakPolarHBondContact O-CB 3.48Å; K25-L28 PolarHBondContact O-N 3.14Å; K25-V29 VanDerWaalsContact O-CG2 3.28Å; K25-V29 WeakPolarHBondContact O-CG2 3.22Å; K25-V29 PolarHBondContact O-N 2.87Å; K25-E71 HydrophobicContact CB-CG 4.12Å
26	E	92.6	Very high	87.7	Confident	94 Å²	94	61.3 Å²	61.3	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-49.9	175.5	-175.3	169.2	-159.6	0	0	109.9	D24 L28 V29 I30 V67	D24-E26 PolarHBondContact OD1-N 3.37Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 2.65Å; E26-V29 CarbonylContact O-C 3.57Å; E26-V29 PolarHBondContact O-N 2.92Å; E26-I30 HydrophobicContact CG-CD1 4.08Å; E26-I30 WeakPolarHBondContact O-CG1 3.45Å; E26-I30 PolarHBondContact O-N 2.88Å; E26-V67 HydrophobicContact CG-CG1 3.96Å
27	K	93.1	Very high	88.3	Confident	138 Å²	138	58.8 Å²	58.8	60%	0.6	27%	0.271	S	S	*	.	H	α-helix	trans	-60.8	-37.3	176.4	-175.1	172.5	-174.6	168.2	0	113.8	D24 V29 E31	D24-K27 HydrophobicContact CB-CB 4.03Å; D24-K27 WeakPolarHBondContact OD1-CB 3.4Å; D24-K27 PolarHBondContact OD1-N 3.5Å; D24-K27 VanDerWaalsContact OD2-CB 3.25Å; D24-K27 WeakPolarHBondContact OD2-CB 3.19Å; K27-V29 VanDerWaalsContact C-N 3.31Å; K27-E31 PolarHBondContact O-N 3Å; K27-E31 VanDerWaalsContact O-N 3.09Å
28	L	91.7	Very high	88.7	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-44.2	173.1	-179.3	94	0	0	0	110.9	W19 I22 D24 K25 E26 E31 I32 V122 V123 K126	W19-L28 HydrophobicContact CZ3-CD2 3.88Å; I22-L28 HydrophobicContact CD1-CD1 4.19Å; I22-L28 HydrophobicContact CD1-CD2 3.92Å; I22-L28 HydrophobicContact CG2-CB 4.2Å; I22-L28 HydrophobicContact CG2-CD2 4.42Å; D24-L28 PolarHBondContact O-N 2.96Å; K25-L28 WeakPolarHBondContact O-CB 3.48Å; K25-L28 PolarHBondContact O-N 3.14Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 2.65Å; L28-E31 PolarHBondContact O-N 3.38Å; L28-I32 HydrophobicContact CD2-CD1 4.22Å; L28-I32 HydrophobicContact CG-CD1 4.15Å; L28-I32 WeakPolarHBondContact O-CG1 3.42Å; L28-I32 PolarHBondContact O-N 3.37Å; L28-V122 HydrophobicContact CD1-CG1 3.67Å; L28-V122 HydrophobicContact CG-CG1 4.07Å; L28-V123 HydrophobicContact CD1-CG2 4.42Å; L28-V123 HydrophobicContact CD2-CG2 4.01Å; L28-K126 HydrophobicContact CD1-CB 4.28Å; L28-K126 HydrophobicContact CD1-CG 3.54Å
29	V	93.6	Very high	89.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-74.4	-34.8	-177.4	175.5	0	0	0	0	111.9	K25 E26 K27 E31 I32 L33 V67 I70 E71 L74	K25-V29 VanDerWaalsContact O-CG2 3.28Å; K25-V29 WeakPolarHBondContact O-CG2 3.22Å; K25-V29 PolarHBondContact O-N 2.87Å; E26-V29 CarbonylContact O-C 3.57Å; E26-V29 PolarHBondContact O-N 2.92Å; K27-V29 VanDerWaalsContact C-N 3.31Å; V29-E31 VanDerWaalsContact C-N 3.34Å; V29-I32 PolarHBondContact O-N 3.49Å; V29-L33 WeakPolarHBondContact O-CB 3.32Å; V29-L33 PolarHBondContact O-N 2.97Å; V29-V67 HydrophobicContact CB-CG1 4.23Å; V29-V67 HydrophobicContact CG1-CB 4.29Å; V29-V67 HydrophobicContact CG1-CG1 3.93Å; V29-V67 WeakPolarHBondContact CG1-O 3.49Å; V29-I70 HydrophobicContact CG1-CB 3.65Å; V29-I70 HydrophobicContact CG1-CG2 3.62Å; V29-I70 HydrophobicContact CG2-CG2 4.37Å; V29-E71 HydrophobicContact CB-CB 4.5Å; V29-E71 HydrophobicContact CG2-CB 3.92Å; V29-E71 HydrophobicContact CG2-CG 4.3Å; V29-L74 HydrophobicContact CG2-CD1 4.14Å
30	I	94.8	Very high	89.4	Confident	39 Å²	39	62.2 Å²	62.2	20%	0.2	30%	0.301	C	S	.	.	H	α-helix	trans	-54.7	-52.3	168.4	-71	170.3	0	0	0	109.3	E26 I32 L33 E34 F63 V67	E26-I30 HydrophobicContact CG-CD1 4.08Å; E26-I30 WeakPolarHBondContact O-CG1 3.45Å; E26-I30 PolarHBondContact O-N 2.88Å; I30-I32 VanDerWaalsContact C-N 3.31Å; I30-I32 PolarHBondContact O-N 2.73Å; I30-L33 PolarHBondContact O-N 3.17Å; I30-L33 VanDerWaalsContact O-N 3.13Å; I30-E34 HydrophobicContact CG2-CG 4.2Å; I30-E34 WeakPolarHBondContact O-CB 3.39Å; I30-E34 WeakPolarHBondContact O-CG 3.4Å; I30-E34 PolarHBondContact O-N 3.27Å; I30-F63 HydrophobicContact CG1-CE1 4.19Å; I30-F63 HydrophobicContact CG2-CE1 4.3Å; I30-F63 HydrophobicContact CG2-CZ 4.15Å; I30-V67 HydrophobicContact CG1-CG1 4.01Å; I30-V67 HydrophobicContact CG1-CG2 3.96Å
31	E	93.5	Very high	89.5	Confident	35 Å²	35	61.1 Å²	61.1	16%	0.164	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-37.1	179.4	-177.7	176.8	170.3	0	0	112.7	K27 L28 V29 R35 V122 K126	K27-E31 PolarHBondContact O-N 3Å; K27-E31 VanDerWaalsContact O-N 3.09Å; L28-E31 PolarHBondContact O-N 3.38Å; V29-E31 VanDerWaalsContact C-N 3.34Å; E31-R35 WeakPolarHBondContact O-CB 3.25Å; E31-R35 VanDerWaalsContact O-CG 3.24Å; E31-R35 WeakPolarHBondContact O-CG 3.33Å; E31-R35 PolarHBondContact O-N 3.28Å; E31-R35 VanDerWaalsContact O-N 3.1Å; E31-R35 IonicContact OE1-CZ 3.5Å; E31-R35 IonicContact OE1-NE 2.69Å; E31-R35 PolarHBondContact OE1-NE 3.06Å; E31-R35 IonicContact OE1-NH2 3.95Å; E31-R35 PolarHBondContact OE1-NH2 2.83Å; E31-V122 HydrophobicContact CB-CG1 4.25Å; E31-V122 HydrophobicContact CG-CG1 4.07Å; E31-V122 HydrophobicContact CG-CG2 4.08Å; E31-K126 IonicContact OE1-NZ 2.65Å; E31-K126 WeakPolarHBondContact OE2-CE 3.25Å; E31-K126 IonicContact OE2-NZ 3.78Å; E31-K126 PolarHBondContact OE2-NZ 2.77Å
32	I	92.6	Very high	89.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-49.4	173.8	-72.4	161.3	0	0	0	110.5	L28 V29 I30 L36 L74 V118 I119 V122	L28-I32 HydrophobicContact CD2-CD1 4.22Å; L28-I32 HydrophobicContact CG-CD1 4.15Å; L28-I32 WeakPolarHBondContact O-CG1 3.42Å; L28-I32 PolarHBondContact O-N 3.37Å; V29-I32 PolarHBondContact O-N 3.49Å; I30-I32 VanDerWaalsContact C-N 3.31Å; I30-I32 PolarHBondContact O-N 2.73Å; I32-L36 HydrophobicContact CG2-CD1 3.92Å; I32-L36 WeakPolarHBondContact O-CG 3.32Å; I32-L36 PolarHBondContact O-N 3.43Å; I32-L36 VanDerWaalsContact O-N 3.09Å; I32-L74 HydrophobicContact CD1-CD1 4.27Å; I32-V118 HydrophobicContact CB-CG1 4.5Å; I32-V118 HydrophobicContact CG2-CG1 4.24Å; I32-V118 WeakPolarHBondContact O-CG1 3.48Å; I32-I119 HydrophobicContact CD1-CB 4.48Å; I32-I119 HydrophobicContact CD1-CG1 4.09Å; I32-I119 HydrophobicContact CD1-CG2 4.49Å; I32-I119 HydrophobicContact CG1-CG1 4.42Å; I32-I119 HydrophobicContact CG2-CG1 3.7Å; I32-V122 HydrophobicContact CD1-CB 4.42Å; I32-V122 HydrophobicContact CD1-CG1 4.36Å; I32-V122 HydrophobicContact CG1-CB 3.69Å; I32-V122 HydrophobicContact CG1-CG1 3.8Å; I32-V122 HydrophobicContact CG1-CG2 3.89Å
33	L	93.7	Very high	89.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-70.7	-41.7	-175.1	-173.7	56.8	0	0	0	111.3	V29 I30 R35 L36 L37 F47 F63 H66 V67 I70	V29-L33 WeakPolarHBondContact O-CB 3.32Å; V29-L33 PolarHBondContact O-N 2.97Å; I30-L33 PolarHBondContact O-N 3.17Å; I30-L33 VanDerWaalsContact O-N 3.13Å; L33-R35 PolarHBondContact O-N 2.88Å; L33-L36 PolarHBondContact O-N 3.09Å; L33-L37 HydrophobicContact CD1-CD1 4.04Å; L33-L37 HydrophobicContact CD1-CD2 4.47Å; L33-L37 HydrophobicContact CD1-CG 4.03Å; L33-L37 HydrophobicContact CG-CD1 3.81Å; L33-L37 HydrophobicContact CG-CG 4.26Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 VanDerWaalsContact O-CG 3.23Å; L33-L37 WeakPolarHBondContact O-CG 3.32Å; L33-L37 PolarHBondContact O-N 3.42Å; L33-F47 HydrophobicContact CD1-CD1 3.91Å; L33-F47 HydrophobicContact CD1-CE1 3.69Å; L33-F47 HydrophobicContact CD1-CZ 4.38Å; L33-F63 HydrophobicContact CB-CE2 3.95Å; L33-F63 HydrophobicContact CB-CZ 4.21Å; L33-F63 HydrophobicContact CD2-CD2 3.55Å; L33-F63 HydrophobicContact CD2-CE2 3.52Å; L33-F63 HydrophobicContact CD2-CG 4.13Å; L33-F63 HydrophobicContact CD2-CZ 4.06Å; L33-F63 HydrophobicContact CG-CD2 3.96Å; L33-F63 HydrophobicContact CG-CE2 3.55Å; L33-F63 HydrophobicContact CG-CZ 4.24Å; L33-H66 HydrophobicContact CD2-CB 3.7Å; L33-V67 HydrophobicContact CD2-CG2 3.84Å; L33-I70 HydrophobicContact CB-CD1 4.5Å; L33-I70 HydrophobicContact CD1-CD1 4.04Å; L33-I70 HydrophobicContact CD2-CD1 4.47Å
34	E	92.8	Very high	89.8	Confident	67 Å²	67	45.5 Å²	45.5	31%	0.313	23%	0.233	S	C	.	.	H	α-helix	trans	-57.2	-50.3	173.8	-74.5	176.5	158.7	0	0	111.5	I30 L36 L37 V38 C58 F63	I30-E34 HydrophobicContact CG2-CG 4.2Å; I30-E34 WeakPolarHBondContact O-CB 3.39Å; I30-E34 WeakPolarHBondContact O-CG 3.4Å; I30-E34 PolarHBondContact O-N 3.27Å; E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 3.37Å; E34-L37 PolarHBondContact O-N 3.24Å; E34-V38 WeakPolarHBondContact O-CB 3.44Å; E34-V38 VanDerWaalsContact O-CG2 3.31Å; E34-V38 WeakPolarHBondContact O-CG2 3.39Å; E34-V38 PolarHBondContact O-N 2.88Å; E34-C58 PolarHBondContact OE1-SG 3.38Å; E34-C58 VanDerWaalsContact OE1-SG 3.4Å; E34-F63 HydrophobicContact CG-CE2 4.16Å; E34-F63 HydrophobicContact CG-CZ 3.91Å
35	R	91.6	Very high	89.6	Confident	93 Å²	93	48.1 Å²	48.1	35%	0.351	24%	0.24	S	C	.	.	H	α-helix	trans	-61	-35.5	178.1	-73.7	-179.2	-174.4	-154.5	10.8	112.4	E31 L33 S39 V118 D121	E31-R35 WeakPolarHBondContact O-CB 3.25Å; E31-R35 VanDerWaalsContact O-CG 3.24Å; E31-R35 WeakPolarHBondContact O-CG 3.33Å; E31-R35 PolarHBondContact O-N 3.28Å; E31-R35 VanDerWaalsContact O-N 3.1Å; E31-R35 IonicContact OE1-CZ 3.5Å; E31-R35 IonicContact OE1-NE 2.69Å; E31-R35 PolarHBondContact OE1-NE 3.06Å; E31-R35 IonicContact OE1-NH2 3.95Å; E31-R35 PolarHBondContact OE1-NH2 2.83Å; L33-R35 PolarHBondContact O-N 2.88Å; R35-S39 WeakPolarHBondContact O-CB 3.29Å; R35-S39 PolarHBondContact O-N 3.4Å; R35-S39 PolarHBondContact O-OG 3.09Å; R35-V118 HydrophobicContact CB-CG1 3.73Å; R35-D121 IonicContact CZ-OD2 3.42Å; R35-D121 IonicContact NH1-OD2 3.48Å; R35-D121 PolarHBondContact NH1-OD2 3.41Å
36	L	90.5	Very high	89.4	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-69.2	-44.7	176.2	-77.3	165.6	0	0	0	112.5	I32 L33 E34 S39 N40 I43 L114 M115 V118	I32-L36 HydrophobicContact CG2-CD1 3.92Å; I32-L36 WeakPolarHBondContact O-CG 3.32Å; I32-L36 PolarHBondContact O-N 3.43Å; I32-L36 VanDerWaalsContact O-N 3.09Å; L33-L36 PolarHBondContact O-N 3.09Å; E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 3.37Å; L36-S39 PolarHBondContact O-OG 3.17Å; L36-N40 PolarHBondContact O-N 3.48Å; L36-I43 HydrophobicContact CD2-CD1 4.24Å; L36-L114 HydrophobicContact CD2-CD2 4.42Å; L36-L114 HydrophobicContact CD2-CG 3.87Å; L36-M115 HydrophobicContact CD1-CB 4.14Å; L36-M115 HydrophobicContact CD1-CG 3.79Å; L36-M115 HydrophobicContact CD2-CB 4.25Å; L36-V118 HydrophobicContact CD2-CB 4.01Å; L36-V118 HydrophobicContact CD2-CG2 3.69Å; L36-V118 HydrophobicContact CG-CB 4.03Å; L36-V118 HydrophobicContact CG-CG1 4.09Å; L36-V118 HydrophobicContact CG-CG2 4.05Å
37	L	89.9	Confident	89.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-46.1	-178.2	-67.6	173.1	0	0	0	111.2	L33 E34 S39 N40 I43 R44 F47 L49 L57 F63	L33-L37 HydrophobicContact CD1-CD1 4.04Å; L33-L37 HydrophobicContact CD1-CD2 4.47Å; L33-L37 HydrophobicContact CD1-CG 4.03Å; L33-L37 HydrophobicContact CG-CD1 3.81Å; L33-L37 HydrophobicContact CG-CG 4.26Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 VanDerWaalsContact O-CG 3.23Å; L33-L37 WeakPolarHBondContact O-CG 3.32Å; L33-L37 PolarHBondContact O-N 3.42Å; E34-L37 PolarHBondContact O-N 3.24Å; L37-S39 VanDerWaalsContact C-N 3.27Å; L37-S39 PolarHBondContact O-N 3Å; L37-N40 PolarHBondContact O-N 2.91Å; L37-I43 HydrophobicContact CD2-CG2 4.24Å; L37-R44 HydrophobicContact CB-CG 3.94Å; L37-R44 HydrophobicContact CD2-CB 4.29Å; L37-R44 HydrophobicContact CD2-CG 3.94Å; L37-R44 WeakPolarHBondContact O-CD 3.37Å; L37-R44 WeakPolarHBondContact O-CG 3.45Å; L37-F47 HydrophobicContact CD2-CB 4.01Å; L37-F47 HydrophobicContact CD2-CG 4.24Å; L37-L49 HydrophobicContact CD1-CD1 3.52Å; L37-L49 HydrophobicContact CD2-CB 4.49Å; L37-L49 HydrophobicContact CD2-CD1 4.15Å; L37-L57 HydrophobicContact CD1-CD1 4.33Å; L37-L57 HydrophobicContact CD1-CD2 4.02Å; L37-F63 HydrophobicContact CD1-CD2 3.7Å; L37-F63 HydrophobicContact CD1-CE2 3.81Å
38	V	85.7	Confident	88.8	Confident	85 Å²	85	42.9 Å²	42.9	52%	0.515	22%	0.223	S	C	.	.	H	α-helix	trans	-67.5	-28.1	-180	175.2	0	0	0	0	112.1	E34	E34-V38 WeakPolarHBondContact O-CB 3.44Å; E34-V38 VanDerWaalsContact O-CG2 3.31Å; E34-V38 WeakPolarHBondContact O-CG2 3.39Å; E34-V38 PolarHBondContact O-N 2.88Å
39	S	84.8	Confident	88.7	Confident	71 Å²	71	42.8 Å²	42.8	50%	0.497	22%	0.222	S	C	.	.	H	α-helix	trans	-86.5	-14.7	-178.6	62.9	0	0	0	0	114.8	R35 L36 L37	R35-S39 WeakPolarHBondContact O-CB 3.29Å; R35-S39 PolarHBondContact O-N 3.4Å; R35-S39 PolarHBondContact O-OG 3.09Å; L36-S39 PolarHBondContact O-OG 3.17Å; L37-S39 VanDerWaalsContact C-N 3.27Å; L37-S39 PolarHBondContact O-N 3Å
40	N	85.1	Confident	88.5	Confident	43 Å²	43	47 Å²	47	23%	0.23	24%	0.242	C	C	.	.			trans	-152.2	105.5	-174	-164.9	-61.1	0	0	0	113.3	L36 L37 G42 I43 R44 L114	L36-N40 PolarHBondContact O-N 3.48Å; L37-N40 PolarHBondContact O-N 2.91Å; N40-G42 PolarHBondContact O-N 3.19Å; N40-G42 VanDerWaalsContact OD1-CA 3.32Å; N40-G42 WeakPolarHBondContact OD1-CA 3.35Å; N40-G42 PolarHBondContact OD1-N 3.37Å; N40-I43 HydrophobicContact CB-CB 4.18Å; N40-I43 HydrophobicContact CB-CD1 4.08Å; N40-I43 HydrophobicContact CB-CG1 4Å; N40-I43 WeakPolarHBondContact O-CB 3.45Å; N40-I43 PolarHBondContact O-N 3.24Å; N40-I43 PolarHBondContact OD1-N 3.04Å; N40-I43 VanDerWaalsContact OD1-N 3.09Å; N40-R44 PolarHBondContact O-N 3.26Å; N40-R44 VanDerWaalsContact O-N 3.09Å; N40-L114 HydrophobicContact CB-CD2 4.01Å
41	D	83.9	Confident	88.4	Confident	111 Å²	111	53 Å²	53	59%	0.594	27%	0.269	S	S	*	.	H	α-helix	trans	-60.5	-29.2	177.6	-69.2	-26	0	0	0	113.8	R44 K45	D41-R44 PolarHBondContact O-N 3.17Å; D41-K45 WeakPolarHBondContact O-CG 3.37Å; D41-K45 PolarHBondContact O-N 3.24Å
42	G	84.2	Confident	88.3	Confident	21 Å²	21	52 Å²	52	22%	0.216	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-43.9	174.4	0	0	0	0	0	111.5	N40 K45 I46	N40-G42 PolarHBondContact O-N 3.19Å; N40-G42 VanDerWaalsContact OD1-CA 3.32Å; N40-G42 WeakPolarHBondContact OD1-CA 3.35Å; N40-G42 PolarHBondContact OD1-N 3.37Å; G42-K45 PolarHBondContact O-N 2.8Å; G42-I46 WeakPolarHBondContact O-CG1 3.42Å; G42-I46 PolarHBondContact O-N 3.5Å
43	I	84.2	Confident	88.2	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-41.3	173	-63	-175.4	0	0	0	110.4	L36 L37 N40 K45 I46 F47 F107 Y111 L114	L36-I43 HydrophobicContact CD2-CD1 4.24Å; L37-I43 HydrophobicContact CD2-CG2 4.24Å; N40-I43 HydrophobicContact CB-CB 4.18Å; N40-I43 HydrophobicContact CB-CD1 4.08Å; N40-I43 HydrophobicContact CB-CG1 4Å; N40-I43 WeakPolarHBondContact O-CB 3.45Å; N40-I43 PolarHBondContact O-N 3.24Å; N40-I43 PolarHBondContact OD1-N 3.04Å; N40-I43 VanDerWaalsContact OD1-N 3.09Å; I43-K45 VanDerWaalsContact C-N 3.3Å; I43-K45 PolarHBondContact O-N 3Å; I43-I46 PolarHBondContact O-N 2.9Å; I43-F47 HydrophobicContact CG2-CD2 3.66Å; I43-F47 HydrophobicContact CG2-CE2 3.73Å; I43-F47 VanDerWaalsContact O-CD2 3.27Å; I43-F47 WeakPolarHBondContact O-CD2 3.1Å; I43-F47 PolarHBondContact O-N 3.25Å; I43-F107 HydrophobicContact CD1-CE2 4.35Å; I43-F107 HydrophobicContact CD1-CZ 4.4Å; I43-F107 HydrophobicContact CG1-CE2 4.19Å; I43-F107 HydrophobicContact CG2-CE2 4.31Å; I43-Y111 HydrophobicContact CD1-CD1 3.91Å; I43-Y111 HydrophobicContact CD1-CG 4.23Å; I43-Y111 HydrophobicContact CG1-CD1 3.61Å; I43-Y111 HydrophobicContact CG1-CE1 4.07Å; I43-Y111 HydrophobicContact CG1-CG 3.89Å; I43-L114 HydrophobicContact CD1-CD2 3.85Å
44	R	88.2	Confident	87.9	Confident	24 Å²	24	58.8 Å²	58.8	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-42.3	175.5	-58.9	-170.2	87.4	159.7	6.8	112.6	L37 N40 D41 F47 N48 L49 H50 C52 D54	L37-R44 HydrophobicContact CB-CG 3.94Å; L37-R44 HydrophobicContact CD2-CB 4.29Å; L37-R44 HydrophobicContact CD2-CG 3.94Å; L37-R44 WeakPolarHBondContact O-CD 3.37Å; L37-R44 WeakPolarHBondContact O-CG 3.45Å; N40-R44 PolarHBondContact O-N 3.26Å; N40-R44 VanDerWaalsContact O-N 3.09Å; D41-R44 PolarHBondContact O-N 3.17Å; R44-F47 PolarHBondContact O-N 3.44Å; R44-N48 PolarHBondContact O-N 2.91Å; R44-L49 PolarHBondContact O-N 2.97Å; R44-H50 HydrophobicContact CB-CB 4.22Å; R44-H50 PolarHBondContact O-N 2.82Å; R44-C52 PolarHBondContact NH2-O 3.01Å; R44-D54 IonicContact CZ-OD1 2.64Å; R44-D54 IonicContact NH1-OD1 2.99Å; R44-D54 PolarHBondContact NH1-OD1 3.32Å; R44-D54 IonicContact NH2-OD1 2.71Å; R44-D54 PolarHBondContact NH2-OD1 3Å
45	K	86.7	Confident	87.8	Confident	137 Å²	137	62 Å²	62	60%	0.596	32%	0.324	S	S	*	.	H	α-helix	trans	-63	-45.3	176.3	-72.7	176	-177.4	-179.5	0	111.5	D41 G42 I43 F47 N48 H50	D41-K45 WeakPolarHBondContact O-CG 3.37Å; D41-K45 PolarHBondContact O-N 3.24Å; G42-K45 PolarHBondContact O-N 2.8Å; I43-K45 VanDerWaalsContact C-N 3.3Å; I43-K45 PolarHBondContact O-N 3Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 3.46Å; K45-N48 PolarHBondContact O-N 2.88Å; K45-H50 HydrophobicContact CB-CB 4.42Å; K45-H50 HydrophobicContact CG-CB 3.61Å
46	I	83.9	Confident	87.9	Confident	37 Å²	37	62 Å²	62	19%	0.19	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-42.8	177	-73.4	168.1	0	0	0	111.8	G42 I43 N48 V105 F107 Y111	G42-I46 WeakPolarHBondContact O-CG1 3.42Å; G42-I46 PolarHBondContact O-N 3.5Å; I43-I46 PolarHBondContact O-N 2.9Å; I46-N48 PolarHBondContact O-N 2.67Å; I46-V105 HydrophobicContact CB-CG1 4.12Å; I46-V105 HydrophobicContact CG1-CG1 4.11Å; I46-V105 HydrophobicContact CG2-CG1 3.22Å; I46-F107 HydrophobicContact CD1-CD2 3.96Å; I46-F107 HydrophobicContact CG2-CD2 3.8Å; I46-Y111 HydrophobicContact CD1-CD2 3.55Å; I46-Y111 HydrophobicContact CD1-CE2 3.36Å
47	F	85.7	Confident	87.9	Confident	13 Å²	13	61.9 Å²	61.9	6%	0.057	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	2.5	178.6	-79.5	-113.6	0	0	0	113	L33 L37 I43 R44 K45 L49 H66 F107	L33-F47 HydrophobicContact CD1-CD1 3.91Å; L33-F47 HydrophobicContact CD1-CE1 3.69Å; L33-F47 HydrophobicContact CD1-CZ 4.38Å; L37-F47 HydrophobicContact CD2-CB 4.01Å; L37-F47 HydrophobicContact CD2-CG 4.24Å; I43-F47 HydrophobicContact CG2-CD2 3.66Å; I43-F47 HydrophobicContact CG2-CE2 3.73Å; I43-F47 VanDerWaalsContact O-CD2 3.27Å; I43-F47 WeakPolarHBondContact O-CD2 3.1Å; I43-F47 PolarHBondContact O-N 3.25Å; R44-F47 PolarHBondContact O-N 3.44Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 3.46Å; F47-L49 VanDerWaalsContact C-N 3.28Å; F47-L49 HydrophobicContact CB-CD1 4.04Å; F47-L49 HydrophobicContact CB-CG 4.35Å; F47-L49 PolarHBondContact O-N 3.3Å; F47-H66 HydrophobicContact CD1-CB 3.95Å; F47-H66 AromaticContact CD1-CD2 3.48Å; F47-H66 VanDerWaalsContact CD1-CD2 3.48Å; F47-H66 WeakPolarHBondContact CD1-CD2 3.4Å; F47-H66 AromaticContact CD1-CE1 3.71Å; F47-H66 AromaticContact CD1-CG 3.4Å; F47-H66 VanDerWaalsContact CD1-CG 3.4Å; F47-H66 AromaticContact CD1-ND1 3.55Å; F47-H66 AromaticContact CD1-NE2 3.71Å; F47-H66 HydrophobicContact CE1-CB 3.97Å; F47-H66 AromaticContact CE1-CG 3.67Å; F47-H66 AromaticContact CE1-ND1 3.55Å; F47-F107 HydrophobicContact CE2-CD2 4.33Å; F47-F107 AromaticContact CE2-CE2 3.78Å; F47-F107 HydrophobicContact CE2-CE2 3.78Å
48	N	87.3	Confident	87.9	Confident	118 Å²	118	64.7 Å²	64.7	63%	0.631	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	41.8	-174.8	-162.4	40.7	0	0	0	113.6	R44 K45 I46	R44-N48 PolarHBondContact O-N 2.91Å; K45-N48 PolarHBondContact O-N 2.88Å; I46-N48 PolarHBondContact O-N 2.67Å
49	L	90.9	Very high	88.3	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	35%	0.353	C	S	.	.			trans	-123.7	15.2	-178.2	-69.8	171	0	0	0	112.4	L37 R44 F47 E51 C52 L57 N60 A62 F63	L37-L49 HydrophobicContact CD1-CD1 3.52Å; L37-L49 HydrophobicContact CD2-CB 4.49Å; L37-L49 HydrophobicContact CD2-CD1 4.15Å; R44-L49 PolarHBondContact O-N 2.97Å; F47-L49 VanDerWaalsContact C-N 3.28Å; F47-L49 HydrophobicContact CB-CD1 4.04Å; F47-L49 HydrophobicContact CB-CG 4.35Å; F47-L49 PolarHBondContact O-N 3.3Å; L49-E51 VanDerWaalsContact C-N 3.32Å; L49-C52 HydrophobicContact CD2-CB 4.23Å; L49-C52 PolarHBondContact O-N 3.48Å; L49-L57 HydrophobicContact CB-CD2 4.36Å; L49-L57 HydrophobicContact CD1-CD2 4.37Å; L49-L57 HydrophobicContact CD2-CD2 4.42Å; L49-N60 HydrophobicContact CD2-CB 4.18Å; L49-N60 VanDerWaalsContact CD2-CG 3.5Å; L49-N60 WeakPolarHBondContact CD2-OD1 3.41Å; L49-A62 HydrophobicContact CD2-CB 4.1Å; L49-F63 HydrophobicContact CD1-CB 4.05Å; L49-F63 HydrophobicContact CD1-CD2 4.05Å; L49-F63 HydrophobicContact CD2-CB 4.23Å
50	H	89.1	Confident	88.8	Confident	87 Å²	87	66.3 Å²	66.3	40%	0.403	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-20.7	-177.2	63	-76.9	0	0	0	113.8	R44 K45	R44-H50 HydrophobicContact CB-CB 4.22Å; R44-H50 PolarHBondContact O-N 2.82Å; K45-H50 HydrophobicContact CB-CB 4.42Å; K45-H50 HydrophobicContact CG-CB 3.61Å
51	E	91.9	Very high	89.2	Confident	166 Å²	166	69.3 Å²	69.3	78%	0.776	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-5.8	173.5	-59.4	-176.4	159.5	0	0	112.6	L49 P53	L49-E51 VanDerWaalsContact C-N 3.32Å; E51-P53 WeakPolarHBondContact O-CD 3.49Å
52	C	90.7	Very high	89.5	Confident	15 Å²	15	64.5 Å²	64.5	10%	0.101	33%	0.334	C	S	.	.	S	Bend	trans	-87.2	119.4	-180	-174.6	0	0	0	0	110.3	R44 L49 L57	R44-C52 PolarHBondContact NH2-O 3.01Å; L49-C52 HydrophobicContact CD2-CB 4.23Å; L49-C52 PolarHBondContact O-N 3.48Å; C52-L57 HydrophobicContact CB-CD2 4.29Å
53	P	91.4	Very high	90	Very high	57 Å²	57	63.6 Å²	63.6	37%	0.37	32%	0.324	S	S	.	.			trans	-55.8	148.6	171.8	-26.5	37.1	0	0	0	112.5	E51 D55 Q56 L57	E51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-D55 VanDerWaalsContact C-N 3.28Å; P53-D55 WeakPolarHBondContact CB-OD1 3.42Å; P53-D55 PolarHBondContact O-N 3.33Å; P53-Q56 HydrophobicContact CB-CB 4.41Å; P53-Q56 HydrophobicContact CB-CG 4.3Å; P53-Q56 PolarHBondContact O-N 2.81Å; P53-L57 PolarHBondContact O-N 3.33Å
54	D	88.4	Confident	90.5	Very high	84 Å²	84	67.8 Å²	67.8	45%	0.449	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-59.1	-39.8	-176.3	-68.8	10	0	0	0	112.2	R44 Q56 L57	R44-D54 IonicContact CZ-OD1 2.64Å; R44-D54 IonicContact NH1-OD1 2.99Å; R44-D54 PolarHBondContact NH1-OD1 3.32Å; R44-D54 IonicContact NH2-OD1 2.71Å; R44-D54 PolarHBondContact NH2-OD1 3Å; D54-Q56 PolarHBondContact O-N 3.03Å; D54-L57 PolarHBondContact O-N 3.09Å
55	D	90.4	Very high	90.7	Very high	134 Å²	134	74.3 Å²	74.3	72%	0.717	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-70.6	-14.3	178.9	62.6	-34.9	0	0	0	113.6	P53	P53-D55 VanDerWaalsContact C-N 3.28Å; P53-D55 WeakPolarHBondContact CB-OD1 3.42Å; P53-D55 PolarHBondContact O-N 3.33Å
56	Q	92.1	Very high	90.9	Very high	93 Å²	93	70.6 Å²	70.6	44%	0.435	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-107.3	-1.2	179.9	-62.7	178.4	21.5	0	0	113.3	P53 D54 C58 E59 N60	P53-Q56 HydrophobicContact CB-CB 4.41Å; P53-Q56 HydrophobicContact CB-CG 4.3Å; P53-Q56 PolarHBondContact O-N 2.81Å; D54-Q56 PolarHBondContact O-N 3.03Å; Q56-C58 VanDerWaalsContact C-N 3.34Å; Q56-C58 PolarHBondContact O-N 3.04Å; Q56-E59 PolarHBondContact O-N 3.41Å; Q56-E59 VanDerWaalsContact O-N 3.08Å; Q56-N60 PolarHBondContact O-N 2.89Å
57	L	91.4	Very high	91.4	Very high	2 Å²	2	69 Å²	69	1%	0.01	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-55.3	-47.2	-177.5	-77.8	174.8	0	0	0	112.4	L37 L49 C52 P53 D54 E59 N60 F63	L37-L57 HydrophobicContact CD1-CD1 4.33Å; L37-L57 HydrophobicContact CD1-CD2 4.02Å; L49-L57 HydrophobicContact CB-CD2 4.36Å; L49-L57 HydrophobicContact CD1-CD2 4.37Å; L49-L57 HydrophobicContact CD2-CD2 4.42Å; C52-L57 HydrophobicContact CB-CD2 4.29Å; P53-L57 PolarHBondContact O-N 3.33Å; D54-L57 PolarHBondContact O-N 3.09Å; L57-E59 PolarHBondContact O-N 3.36Å; L57-N60 WeakPolarHBondContact O-CB 3.28Å; L57-N60 PolarHBondContact O-N 3.39Å; L57-N60 VanDerWaalsContact O-N 3.14Å; L57-F63 HydrophobicContact CB-CD2 4.09Å; L57-F63 HydrophobicContact CB-CE2 4.21Å; L57-F63 HydrophobicContact CB-CG 4.47Å; L57-F63 HydrophobicContact CD2-CD2 4.23Å; L57-F63 WeakPolarHBondContact O-CB 3.34Å; L57-F63 VanDerWaalsContact O-CD1 3.3Å; L57-F63 WeakPolarHBondContact O-CD1 2.98Å; L57-F63 WeakPolarHBondContact O-CG 3.49Å
58	C	90.6	Very high	91.7	Very high	58 Å²	58	74.9 Å²	74.9	39%	0.392	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-64.9	-20.4	-178.2	-80.8	0	0	0	0	113.6	E34 Q56 K64	E34-C58 PolarHBondContact OE1-SG 3.38Å; E34-C58 VanDerWaalsContact OE1-SG 3.4Å; Q56-C58 VanDerWaalsContact C-N 3.34Å; Q56-C58 PolarHBondContact O-N 3.04Å; C58-K64 WeakPolarHBondContact O-CE 3.4Å
59	E	92.9	Very high	91.7	Very high	141 Å²	141	71.3 Å²	71.3	66%	0.659	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-88.7	-23.8	178.6	-61.5	-177.6	175.7	0	0	112	Q56 L57 K64	Q56-E59 PolarHBondContact O-N 3.41Å; Q56-E59 VanDerWaalsContact O-N 3.08Å; L57-E59 PolarHBondContact O-N 3.36Å; E59-K64 WeakPolarHBondContact O-CE 3.43Å; E59-K64 PolarHBondContact O-NZ 3.32Å
60	N	95	Very high	91.7	Very high	50 Å²	50	71.9 Å²	71.9	27%	0.267	36%	0.363	S	S	.	.			trans	-67.7	129.8	-176.6	-169.8	-68.8	0	0	0	113.1	L49 Q56 L57 A62 F63 K64	L49-N60 HydrophobicContact CD2-CB 4.18Å; L49-N60 VanDerWaalsContact CD2-CG 3.5Å; L49-N60 WeakPolarHBondContact CD2-OD1 3.41Å; Q56-N60 PolarHBondContact O-N 2.89Å; L57-N60 WeakPolarHBondContact O-CB 3.28Å; L57-N60 PolarHBondContact O-N 3.39Å; L57-N60 VanDerWaalsContact O-N 3.14Å; N60-A62 VanDerWaalsContact C-N 3.34Å; N60-A62 PolarHBondContact O-N 3.23Å; N60-A62 WeakPolarHBondContact OD1-CA 3.21Å; N60-A62 VanDerWaalsContact OD1-CB 3.27Å; N60-A62 WeakPolarHBondContact OD1-CB 3.43Å; N60-A62 PolarHBondContact OD1-N 2.69Å; N60-F63 HydrophobicContact CB-CB 4.1Å; N60-F63 WeakPolarHBondContact O-CB 3.31Å; N60-F63 PolarHBondContact O-N 3.45Å; N60-F63 PolarHBondContact OD1-N 3.21Å; N60-K64 WeakPolarHBondContact O-CG 3.49Å; N60-K64 PolarHBondContact O-N 3.3Å
61	D	93.9	Very high	91.7	Very high	105 Å²	105	70.4 Å²	70.4	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-66.4	-31.8	-178.1	-74.3	-23.5	0	0	0	113.9	R65	D61-R65 WeakPolarHBondContact O-CG 3.36Å; D61-R65 PolarHBondContact O-N 3.29Å; D61-R65 PolarHBondContact O-NH1 3.37Å
62	A	91.3	Very high	91.5	Very high	10 Å²	10	68.8 Å²	68.8	8%	0.083	35%	0.348	C	S	.	.	H	α-helix	trans	-66.3	-44.1	174.8	0	0	0	0	0	110.5	L49 N60 R65 H66	L49-A62 HydrophobicContact CD2-CB 4.1Å; N60-A62 VanDerWaalsContact C-N 3.34Å; N60-A62 PolarHBondContact O-N 3.23Å; N60-A62 WeakPolarHBondContact OD1-CA 3.21Å; N60-A62 VanDerWaalsContact OD1-CB 3.27Å; N60-A62 WeakPolarHBondContact OD1-CB 3.43Å; N60-A62 PolarHBondContact OD1-N 2.69Å; A62-R65 PolarHBondContact O-N 2.65Å; A62-H66 PolarHBondContact O-CD2 3.29Å; A62-H66 PolarHBondContact O-N 3.11Å
63	F	94.2	Very high	91.2	Very high	3 Å²	3	70 Å²	70	1%	0.013	35%	0.352	C	S	.	.	H	α-helix	trans	-57.8	-51.3	174.8	-177.5	-89.2	0	0	0	111.3	I30 L33 E34 L37 L49 L57 N60 R65 H66 V67	I30-F63 HydrophobicContact CG1-CE1 4.19Å; I30-F63 HydrophobicContact CG2-CE1 4.3Å; I30-F63 HydrophobicContact CG2-CZ 4.15Å; L33-F63 HydrophobicContact CB-CE2 3.95Å; L33-F63 HydrophobicContact CB-CZ 4.21Å; L33-F63 HydrophobicContact CD2-CD2 3.55Å; L33-F63 HydrophobicContact CD2-CE2 3.52Å; L33-F63 HydrophobicContact CD2-CG 4.13Å; L33-F63 HydrophobicContact CD2-CZ 4.06Å; L33-F63 HydrophobicContact CG-CD2 3.96Å; L33-F63 HydrophobicContact CG-CE2 3.55Å; L33-F63 HydrophobicContact CG-CZ 4.24Å; E34-F63 HydrophobicContact CG-CE2 4.16Å; E34-F63 HydrophobicContact CG-CZ 3.91Å; L37-F63 HydrophobicContact CD1-CD2 3.7Å; L37-F63 HydrophobicContact CD1-CE2 3.81Å; L49-F63 HydrophobicContact CD1-CB 4.05Å; L49-F63 HydrophobicContact CD1-CD2 4.05Å; L49-F63 HydrophobicContact CD2-CB 4.23Å; L57-F63 HydrophobicContact CB-CD2 4.09Å; L57-F63 HydrophobicContact CB-CE2 4.21Å; L57-F63 HydrophobicContact CB-CG 4.47Å; L57-F63 HydrophobicContact CD2-CD2 4.23Å; L57-F63 WeakPolarHBondContact O-CB 3.34Å; L57-F63 VanDerWaalsContact O-CD1 3.3Å; L57-F63 WeakPolarHBondContact O-CD1 2.98Å; L57-F63 WeakPolarHBondContact O-CG 3.49Å; N60-F63 HydrophobicContact CB-CB 4.1Å; N60-F63 WeakPolarHBondContact O-CB 3.31Å; N60-F63 PolarHBondContact O-N 3.45Å; N60-F63 PolarHBondContact OD1-N 3.21Å; F63-R65 VanDerWaalsContact C-N 3.29Å; F63-R65 PolarHBondContact O-N 3.32Å; F63-H66 PolarHBondContact O-N 3.06Å; F63-V67 HydrophobicContact CD1-CG2 3.84Å; F63-V67 HydrophobicContact CE1-CG2 3.5Å; F63-V67 VanDerWaalsContact CE1-CG2 3.5Å; F63-V67 HydrophobicContact CZ-CG2 3.96Å; F63-V67 WeakPolarHBondContact O-CG2 3.47Å; F63-V67 PolarHBondContact O-N 3.34Å
64	K	94.3	Very high	91	Very high	88 Å²	88	68.1 Å²	68.1	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-56.2	-39.5	176.9	-69.1	169.5	-178.6	157.7	0	112.9	C58 E59 N60 K68	C58-K64 WeakPolarHBondContact O-CE 3.4Å; E59-K64 WeakPolarHBondContact O-CE 3.43Å; E59-K64 PolarHBondContact O-NZ 3.32Å; N60-K64 WeakPolarHBondContact O-CG 3.49Å; N60-K64 PolarHBondContact O-N 3.3Å; K64-K68 WeakPolarHBondContact O-CG 3.38Å; K64-K68 PolarHBondContact O-N 3.42Å; K64-K68 VanDerWaalsContact O-N 3.17Å
65	R	92.4	Very high	90.9	Very high	161 Å²	161	64.8 Å²	64.8	61%	0.608	32%	0.324	S	S	*	.	H	α-helix	trans	-65.4	-42.7	175.2	-75	-172.4	-58.3	-94.6	4.6	112	D61 A62 F63 K68 G69	D61-R65 WeakPolarHBondContact O-CG 3.36Å; D61-R65 PolarHBondContact O-N 3.29Å; D61-R65 PolarHBondContact O-NH1 3.37Å; A62-R65 PolarHBondContact O-N 2.65Å; F63-R65 VanDerWaalsContact C-N 3.29Å; F63-R65 PolarHBondContact O-N 3.32Å; R65-K68 PolarHBondContact O-N 3.37Å; R65-G69 PolarHBondContact O-N 3.01Å
66	H	91.4	Very high	90.5	Very high	60 Å²	60	59.5 Å²	59.5	28%	0.278	30%	0.295	S	S	.	.	H	α-helix	trans	-66.7	-39.9	177.6	-74.5	-63.5	0	0	0	112.2	L33 F47 A62 F63 K68 G69 I70	L33-H66 HydrophobicContact CD2-CB 3.7Å; F47-H66 HydrophobicContact CD1-CB 3.95Å; F47-H66 AromaticContact CD1-CD2 3.48Å; F47-H66 VanDerWaalsContact CD1-CD2 3.48Å; F47-H66 WeakPolarHBondContact CD1-CD2 3.4Å; F47-H66 AromaticContact CD1-CE1 3.71Å; F47-H66 AromaticContact CD1-CG 3.4Å; F47-H66 VanDerWaalsContact CD1-CG 3.4Å; F47-H66 AromaticContact CD1-ND1 3.55Å; F47-H66 AromaticContact CD1-NE2 3.71Å; F47-H66 HydrophobicContact CE1-CB 3.97Å; F47-H66 AromaticContact CE1-CG 3.67Å; F47-H66 AromaticContact CE1-ND1 3.55Å; A62-H66 PolarHBondContact O-CD2 3.29Å; A62-H66 PolarHBondContact O-N 3.11Å; F63-H66 PolarHBondContact O-N 3.06Å; H66-K68 PolarHBondContact O-N 3.26Å; H66-G69 PolarHBondContact O-N 3.44Å; H66-I70 WeakPolarHBondContact O-CB 3.29Å; H66-I70 VanDerWaalsContact O-CG1 3.28Å; H66-I70 WeakPolarHBondContact O-CG1 3.44Å; H66-I70 PolarHBondContact O-N 2.89Å
67	V	93.3	Very high	89.9	Confident	2 Å²	2	56 Å²	56	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-55.3	-53.7	173	170.3	0	0	0	0	110.5	E26 V29 I30 L33 F63 G69 I70 E71	E26-V67 HydrophobicContact CG-CG1 3.96Å; V29-V67 HydrophobicContact CB-CG1 4.23Å; V29-V67 HydrophobicContact CG1-CB 4.29Å; V29-V67 HydrophobicContact CG1-CG1 3.93Å; V29-V67 WeakPolarHBondContact CG1-O 3.49Å; I30-V67 HydrophobicContact CG1-CG1 4.01Å; I30-V67 HydrophobicContact CG1-CG2 3.96Å; L33-V67 HydrophobicContact CD2-CG2 3.84Å; F63-V67 HydrophobicContact CD1-CG2 3.84Å; F63-V67 HydrophobicContact CE1-CG2 3.5Å; F63-V67 VanDerWaalsContact CE1-CG2 3.5Å; F63-V67 HydrophobicContact CZ-CG2 3.96Å; F63-V67 WeakPolarHBondContact O-CG2 3.47Å; F63-V67 PolarHBondContact O-N 3.34Å; V67-G69 VanDerWaalsContact C-N 3.31Å; V67-G69 PolarHBondContact O-N 3.31Å; V67-I70 PolarHBondContact O-N 3.2Å; V67-E71 WeakPolarHBondContact O-CB 3.27Å; V67-E71 PolarHBondContact O-N 3.46Å
68	K	92.2	Very high	89.4	Confident	138 Å²	138	56.7 Å²	56.7	60%	0.6	29%	0.285	S	S	*	.	H	α-helix	trans	-59.4	-40.6	178.3	-70.1	179	-179.7	-177.6	0	112.6	K64 R65 H66 H72	K64-K68 WeakPolarHBondContact O-CG 3.38Å; K64-K68 PolarHBondContact O-N 3.42Å; K64-K68 VanDerWaalsContact O-N 3.17Å; R65-K68 PolarHBondContact O-N 3.37Å; H66-K68 PolarHBondContact O-N 3.26Å; K68-H72 VanDerWaalsContact O-CB 3.29Å; K68-H72 WeakPolarHBondContact O-CB 3.28Å; K68-H72 PolarHBondContact O-N 2.92Å
69	G	89	Confident	89	Confident	42 Å²	42	59 Å²	59	43%	0.433	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-44.9	177.6	0	0	0	0	0	113.1	R65 H66 V67 F73	R65-G69 PolarHBondContact O-N 3.01Å; H66-G69 PolarHBondContact O-N 3.44Å; V67-G69 VanDerWaalsContact C-N 3.31Å; V67-G69 PolarHBondContact O-N 3.31Å; G69-F73 WeakPolarHBondContact O-CB 3.38Å; G69-F73 PolarHBondContact O-N 2.95Å
70	I	89.1	Confident	88.2	Confident	13 Å²	13	52.4 Å²	52.4	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-44.6	178.7	-66.6	166.4	0	0	0	110.4	V29 L33 H66 V67 H72 F73 L74 M115	V29-I70 HydrophobicContact CG1-CB 3.65Å; V29-I70 HydrophobicContact CG1-CG2 3.62Å; V29-I70 HydrophobicContact CG2-CG2 4.37Å; L33-I70 HydrophobicContact CB-CD1 4.5Å; L33-I70 HydrophobicContact CD1-CD1 4.04Å; L33-I70 HydrophobicContact CD2-CD1 4.47Å; H66-I70 WeakPolarHBondContact O-CB 3.29Å; H66-I70 VanDerWaalsContact O-CG1 3.28Å; H66-I70 WeakPolarHBondContact O-CG1 3.44Å; H66-I70 PolarHBondContact O-N 2.89Å; V67-I70 PolarHBondContact O-N 3.2Å; I70-H72 VanDerWaalsContact C-N 3.34Å; I70-H72 PolarHBondContact O-N 3.47Å; I70-F73 PolarHBondContact O-N 3.28Å; I70-L74 HydrophobicContact CG2-CD1 4.08Å; I70-L74 HydrophobicContact CG2-CG 4.33Å; I70-L74 WeakPolarHBondContact O-CG 3.48Å; I70-L74 PolarHBondContact O-N 3.41Å; I70-M115 HydrophobicContact CD1-CE 3.97Å; I70-M115 HydrophobicContact CG1-CE 3.87Å; I70-M115 HydrophobicContact CG2-CE 4.31Å
71	E	89.5	Confident	87.2	Confident	57 Å²	57	51.5 Å²	51.5	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-57.7	-48.4	176.6	-171.2	-174.3	159.2	0	0	111.3	K25 V29 V67 F73 L74 G75	K25-E71 HydrophobicContact CB-CG 4.12Å; V29-E71 HydrophobicContact CB-CB 4.5Å; V29-E71 HydrophobicContact CG2-CB 3.92Å; V29-E71 HydrophobicContact CG2-CG 4.3Å; V67-E71 WeakPolarHBondContact O-CB 3.27Å; V67-E71 PolarHBondContact O-N 3.46Å; E71-F73 VanDerWaalsContact C-N 3.33Å; E71-F73 PolarHBondContact O-N 3.44Å; E71-L74 PolarHBondContact O-N 2.75Å; E71-G75 PolarHBondContact O-N 3.35Å
72	H	87.6	Confident	86	Confident	132 Å²	132	53.7 Å²	53.7	61%	0.611	26%	0.263	S	S	*	.	H	α-helix	trans	-61	-42.5	178.2	-171.7	70.2	0	0	0	111.9	K68 I70 G75 I76	K68-H72 VanDerWaalsContact O-CB 3.29Å; K68-H72 WeakPolarHBondContact O-CB 3.28Å; K68-H72 PolarHBondContact O-N 2.92Å; I70-H72 VanDerWaalsContact C-N 3.34Å; I70-H72 PolarHBondContact O-N 3.47Å; H72-G75 PolarHBondContact O-N 3.26Å; H72-I76 WeakPolarHBondContact NE2-CD1 3.49Å; H72-I76 WeakPolarHBondContact O-CG1 3.33Å; H72-I76 PolarHBondContact O-N 2.95Å
73	F	86.1	Confident	85	Confident	39 Å²	39	57.2 Å²	57.2	17%	0.171	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-46.5	176.5	173.5	-106.3	0	0	0	112.3	G69 I70 E71 G75 I76 C77 T91 L95	G69-F73 WeakPolarHBondContact O-CB 3.38Å; G69-F73 PolarHBondContact O-N 2.95Å; I70-F73 PolarHBondContact O-N 3.28Å; E71-F73 VanDerWaalsContact C-N 3.33Å; E71-F73 PolarHBondContact O-N 3.44Å; F73-G75 VanDerWaalsContact C-N 3.33Å; F73-G75 PolarHBondContact O-N 2.96Å; F73-I76 PolarHBondContact O-N 2.8Å; F73-C77 VanDerWaalsContact CZ-SG 3.52Å; F73-C77 PolarHBondContact O-N 3.37Å; F73-C77 PolarHBondContact O-SG 3.09Å; F73-T91 HydrophobicContact CD2-CG2 3.84Å; F73-T91 HydrophobicContact CE2-CG2 3.99Å; F73-L95 HydrophobicContact CD1-CD2 4.16Å; F73-L95 HydrophobicContact CD2-CD2 3.74Å; F73-L95 HydrophobicContact CE1-CD2 4.07Å; F73-L95 HydrophobicContact CE2-CB 4.43Å; F73-L95 HydrophobicContact CE2-CD2 3.64Å; F73-L95 HydrophobicContact CG-CD2 3.99Å; F73-L95 HydrophobicContact CZ-CD2 3.81Å
74	L	85.3	Confident	83.9	Confident	19 Å²	19	61.3 Å²	61.3	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-40.9	177	-68.7	178.3	0	0	0	111.3	W19 V29 I32 I70 E71 C77 V78 I119	W19-L74 HydrophobicContact CH2-CB 3.51Å; W19-L74 HydrophobicContact CH2-CD1 4.1Å; W19-L74 HydrophobicContact CH2-CG 4.47Å; W19-L74 HydrophobicContact CZ2-CB 4.09Å; W19-L74 HydrophobicContact CZ3-CB 3.95Å; W19-L74 HydrophobicContact CZ3-CD1 4.14Å; V29-L74 HydrophobicContact CG2-CD1 4.14Å; I32-L74 HydrophobicContact CD1-CD1 4.27Å; I70-L74 HydrophobicContact CG2-CD1 4.08Å; I70-L74 HydrophobicContact CG2-CG 4.33Å; I70-L74 WeakPolarHBondContact O-CG 3.48Å; I70-L74 PolarHBondContact O-N 3.41Å; E71-L74 PolarHBondContact O-N 2.75Å; L74-C77 WeakPolarHBondContact O-CB 3.4Å; L74-C77 PolarHBondContact O-N 2.65Å; L74-V78 WeakPolarHBondContact O-CG2 3.19Å; L74-V78 PolarHBondContact O-N 3.48Å; L74-I119 HydrophobicContact CD2-CD1 4.33Å; L74-I119 HydrophobicContact CD2-CG2 4.17Å
75	G	86.2	Confident	82.8	Confident	13 Å²	13	60.7 Å²	60.7	13%	0.134	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-45.5	174.3	0	0	0	0	0	112.9	E71 H72 F73 C77 V78 N79	E71-G75 PolarHBondContact O-N 3.35Å; H72-G75 PolarHBondContact O-N 3.26Å; F73-G75 VanDerWaalsContact C-N 3.33Å; F73-G75 PolarHBondContact O-N 2.96Å; G75-C77 VanDerWaalsContact C-N 3.3Å; G75-C77 PolarHBondContact O-N 3.43Å; G75-V78 PolarHBondContact O-N 2.91Å; G75-N79 WeakPolarHBondContact O-CB 3.23Å; G75-N79 PolarHBondContact O-N 2.96Å; G75-N79 PolarHBondContact O-ND2 2.86Å
76	I	82.2	Confident	81.8	Confident	23 Å²	23	56.1 Å²	56.1	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-43.3	173.4	-68.8	165.1	0	0	0	110.5	H72 F73 N79 S80 T91	H72-I76 WeakPolarHBondContact NE2-CD1 3.49Å; H72-I76 WeakPolarHBondContact O-CG1 3.33Å; H72-I76 PolarHBondContact O-N 2.95Å; F73-I76 PolarHBondContact O-N 2.8Å; I76-N79 PolarHBondContact O-N 2.98Å; I76-S80 WeakPolarHBondContact O-CB 3.44Å; I76-S80 PolarHBondContact O-N 3.38Å; I76-S80 PolarHBondContact O-OG 2.87Å; I76-T91 HydrophobicContact CB-CG2 4.47Å; I76-T91 HydrophobicContact CD1-CG2 4.21Å; I76-T91 HydrophobicContact CG2-CG2 3.91Å
77	C	80.5	Confident	81	Confident	21 Å²	21	58.9 Å²	58.9	14%	0.142	31%	0.311	C	S	.	.	H	α-helix	trans	-57	-55.2	-179.5	-72.1	0	0	0	0	110.5	F73 L74 G75 N79 S80 I81 L88	F73-C77 VanDerWaalsContact CZ-SG 3.52Å; F73-C77 PolarHBondContact O-N 3.37Å; F73-C77 PolarHBondContact O-SG 3.09Å; L74-C77 WeakPolarHBondContact O-CB 3.4Å; L74-C77 PolarHBondContact O-N 2.65Å; G75-C77 VanDerWaalsContact C-N 3.3Å; G75-C77 PolarHBondContact O-N 3.43Å; C77-N79 PolarHBondContact O-N 3.04Å; C77-S80 PolarHBondContact O-N 3.43Å; C77-I81 VanDerWaalsContact O-CG1 3.32Å; C77-I81 WeakPolarHBondContact O-CG1 3.3Å; C77-I81 PolarHBondContact O-N 2.89Å; C77-L88 HydrophobicContact CB-CD1 3.76Å; C77-L88 VanDerWaalsContact SG-CD1 3.59Å
78	V	80.8	Confident	79.9	Confident	16 Å²	16	59.9 Å²	59.9	10%	0.097	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-48.5	-179.2	174.9	0	0	0	0	111.5	I15 E16 W19 L74 G75 S80 I81	I15-V78 HydrophobicContact CG2-CG2 4.28Å; E16-V78 HydrophobicContact CG-CG1 4.31Å; W19-V78 HydrophobicContact CB-CB 4.37Å; W19-V78 HydrophobicContact CB-CG1 3.79Å; W19-V78 HydrophobicContact CB-CG2 3.91Å; W19-V78 HydrophobicContact CD2-CG2 3.93Å; W19-V78 HydrophobicContact CE3-CG2 4.36Å; W19-V78 HydrophobicContact CG-CB 4.08Å; W19-V78 HydrophobicContact CG-CG1 3.88Å; W19-V78 HydrophobicContact CG-CG2 3.71Å; L74-V78 WeakPolarHBondContact O-CG2 3.19Å; L74-V78 PolarHBondContact O-N 3.48Å; G75-V78 PolarHBondContact O-N 2.91Å; V78-S80 PolarHBondContact O-N 3.03Å; V78-I81 PolarHBondContact O-N 3.03Å
79	N	81.1	Confident	78.8	Confident	106 Å²	106	55.5 Å²	55.5	57%	0.567	30%	0.301	S	S	*	.	H	α-helix	trans	-65.8	-25.7	-177.5	-69.2	-19.5	0	0	0	113.6	G75 I76 C77 S83	G75-N79 WeakPolarHBondContact O-CB 3.23Å; G75-N79 PolarHBondContact O-N 2.96Å; G75-N79 PolarHBondContact O-ND2 2.86Å; I76-N79 PolarHBondContact O-N 2.98Å; C77-N79 PolarHBondContact O-N 3.04Å; N79-S83 PolarHBondContact O-OG 3.27Å
80	S	78	Confident	78.1	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-90.5	-14.6	-176.5	-56.3	0	0	0	0	113.4	I76 C77 V78 K82 Q84	I76-S80 WeakPolarHBondContact O-CB 3.44Å; I76-S80 PolarHBondContact O-N 3.38Å; I76-S80 PolarHBondContact O-OG 2.87Å; C77-S80 PolarHBondContact O-N 3.43Å; V78-S80 PolarHBondContact O-N 3.03Å; S80-K82 VanDerWaalsContact C-N 3.32Å; S80-K82 PolarHBondContact O-N 3.24Å; S80-Q84 CarbonylContact O-C 3.58Å; S80-Q84 PolarHBondContact O-N 2.99Å
81	I	72.9	Confident	77.2	Confident	32 Å²	32	58.2 Å²	58.2	16%	0.164	31%	0.307	C	S	.	.	H	α-helix	trans	-57.6	-43.5	-176.3	-75.1	163.6	0	0	0	111.6	L7 V12 I15 C77 V78 L88	L7-I81 HydrophobicContact CD1-CG2 3.97Å; V12-I81 HydrophobicContact CB-CG2 4.07Å; V12-I81 HydrophobicContact CG1-CG2 3.63Å; V12-I81 HydrophobicContact CG2-CG2 3.57Å; I15-I81 HydrophobicContact CB-CD1 4.47Å; I15-I81 HydrophobicContact CD1-CD1 4.32Å; I15-I81 HydrophobicContact CG2-CD1 3.67Å; C77-I81 VanDerWaalsContact O-CG1 3.32Å; C77-I81 WeakPolarHBondContact O-CG1 3.3Å; C77-I81 PolarHBondContact O-N 2.89Å; V78-I81 PolarHBondContact O-N 3.03Å; I81-L88 HydrophobicContact CG1-CD2 4.35Å
82	K	68.9	Low	76.3	Confident	151 Å²	151	57.8 Å²	57.8	66%	0.657	31%	0.313	S	S	*	.	H	α-helix	trans	-86.2	-44.1	-174.3	-172.9	179.6	178.2	179.9	0	113.8	V12 E16 S80	V12-K82 HydrophobicContact CG1-CB 4Å; V12-K82 HydrophobicContact CG1-CG 4.47Å; E16-K82 WeakPolarHBondContact OE1-CB 3.13Å; S80-K82 VanDerWaalsContact C-N 3.32Å; S80-K82 PolarHBondContact O-N 3.24Å
83	S	70.1	Confident	75.3	Confident	83 Å²	83	53 Å²	53	58%	0.58	29%	0.29	S	S	*	.	H	α-helix	trans	-101.9	-29.2	-163.7	60.5	0	0	0	0	113.5	N79	N79-S83 PolarHBondContact O-OG 3.27Å
84	Q	71.9	Confident	74.7	Confident	90 Å²	90	53.5 Å²	53.5	42%	0.421	30%	0.298	S	S	.	.			trans	-147.5	68.6	-171.5	-60.3	-179.5	32.7	0	0	111.7	S80 S86 R87 L88	S80-Q84 CarbonylContact O-C 3.58Å; S80-Q84 PolarHBondContact O-N 2.99Å; Q84-S86 PolarHBondContact O-N 3.02Å; Q84-S86 VanDerWaalsContact O-N 3.09Å; Q84-R87 HydrophobicContact CB-CB 3.69Å; Q84-R87 WeakPolarHBondContact O-CA 3.45Å; Q84-R87 VanDerWaalsContact O-CB 3.3Å; Q84-R87 WeakPolarHBondContact O-CB 3.49Å; Q84-R87 PolarHBondContact O-N 2.95Å; Q84-L88 PolarHBondContact O-N 3.49Å
85	P	70.7	Confident	74.1	Confident	74 Å²	74	54.6 Å²	54.6	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-56.2	-30.1	178.2	-25.4	34.6	0	0	0	113.4	L88 V89	P85-L88 WeakPolarHBondContact O-CB 3.34Å; P85-L88 PolarHBondContact O-N 3.45Å; P85-V89 WeakPolarHBondContact O-CG2 3.19Å; P85-V89 PolarHBondContact O-N 2.96Å; P85-V89 VanDerWaalsContact O-N 3.09Å
86	S	71.9	Confident	73.2	Confident	66 Å²	66	55.1 Å²	55.1	46%	0.462	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-37.7	173.6	56.4	0	0	0	0	112.6	Q84 V89 N90	Q84-S86 PolarHBondContact O-N 3.02Å; Q84-S86 VanDerWaalsContact O-N 3.09Å; S86-V89 PolarHBondContact O-N 3.28Å; S86-N90 WeakPolarHBondContact O-CB 3.29Å; S86-N90 PolarHBondContact O-N 3.43Å; S86-N90 PolarHBondContact O-ND2 2.91Å
87	R	73.5	Confident	72.5	Confident	117 Å²	117	58.1 Å²	58.1	44%	0.442	32%	0.323	S	S	.	.	H	α-helix	trans	-63.7	-44.9	174.5	-176.3	177.8	176.7	176	-0.2	110.7	Q84 V89 N90 T91	Q84-R87 HydrophobicContact CB-CB 3.69Å; Q84-R87 WeakPolarHBondContact O-CA 3.45Å; Q84-R87 VanDerWaalsContact O-CB 3.3Å; Q84-R87 WeakPolarHBondContact O-CB 3.49Å; Q84-R87 PolarHBondContact O-N 2.95Å; R87-V89 PolarHBondContact O-N 3.39Å; R87-N90 PolarHBondContact O-N 3Å; R87-T91 WeakPolarHBondContact O-CB 3.21Å; R87-T91 PolarHBondContact O-N 3.25Å; R87-T91 PolarHBondContact O-OG1 3.08Å; R87-T91 VanDerWaalsContact O-OG1 3.06Å
88	L	70	Confident	71.8	Confident	23 Å²	23	62.6 Å²	62.6	12%	0.12	34%	0.34	C	S	.	.	H	α-helix	trans	-54.8	-51.4	174.6	175.1	67	0	0	0	111.3	L5 C77 I81 Q84 P85 N90 T91 A92	L5-L88 HydrophobicContact CD1-CD2 3.54Å; C77-L88 HydrophobicContact CB-CD1 3.76Å; C77-L88 VanDerWaalsContact SG-CD1 3.59Å; I81-L88 HydrophobicContact CG1-CD2 4.35Å; Q84-L88 PolarHBondContact O-N 3.49Å; P85-L88 WeakPolarHBondContact O-CB 3.34Å; P85-L88 PolarHBondContact O-N 3.45Å; L88-N90 PolarHBondContact O-N 3.47Å; L88-T91 PolarHBondContact O-N 3.14Å; L88-A92 WeakPolarHBondContact O-CB 3.28Å; L88-A92 PolarHBondContact O-N 3.32Å
89	V	69.8	Low	71.3	Confident	46 Å²	46	64.1 Å²	64.1	28%	0.279	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-43.5	179.5	170.8	0	0	0	0	111.5	P85 S86 R87 R93 I172	P85-V89 WeakPolarHBondContact O-CG2 3.19Å; P85-V89 PolarHBondContact O-N 2.96Å; P85-V89 VanDerWaalsContact O-N 3.09Å; S86-V89 PolarHBondContact O-N 3.28Å; R87-V89 PolarHBondContact O-N 3.39Å; V89-R93 WeakPolarHBondContact O-CB 3.35Å; V89-R93 PolarHBondContact O-N 3.4Å; V89-I172 HydrophobicContact CG1-CG2 3.67Å
90	N	73.6	Confident	70.2	Confident	80 Å²	80	64 Å²	64	43%	0.428	34%	0.34	S	S	.	.	H	α-helix	trans	-68.4	-39.6	-179.7	-69.3	-17.1	0	0	0	112.3	S86 R87 L88 R93 S94	S86-N90 WeakPolarHBondContact O-CB 3.29Å; S86-N90 PolarHBondContact O-N 3.43Å; S86-N90 PolarHBondContact O-ND2 2.91Å; R87-N90 PolarHBondContact O-N 3Å; L88-N90 PolarHBondContact O-N 3.47Å; N90-R93 PolarHBondContact O-N 3.46Å; N90-R93 PolarHBondContact OD1-NH1 3.41Å; N90-S94 WeakPolarHBondContact O-CB 3.43Å; N90-S94 PolarHBondContact O-N 3.15Å
91	T	70.5	Confident	68.9	Low	33 Å²	33	71.9 Å²	71.9	20%	0.202	37%	0.371	C	S	.	.	H	α-helix	trans	-65	-46.5	175.2	-63.4	0	0	0	0	111	F73 I76 R87 L88 R93 S94 L95	F73-T91 HydrophobicContact CD2-CG2 3.84Å; F73-T91 HydrophobicContact CE2-CG2 3.99Å; I76-T91 HydrophobicContact CB-CG2 4.47Å; I76-T91 HydrophobicContact CD1-CG2 4.21Å; I76-T91 HydrophobicContact CG2-CG2 3.91Å; R87-T91 WeakPolarHBondContact O-CB 3.21Å; R87-T91 PolarHBondContact O-N 3.25Å; R87-T91 PolarHBondContact O-OG1 3.08Å; R87-T91 VanDerWaalsContact O-OG1 3.06Å; L88-T91 PolarHBondContact O-N 3.14Å; T91-R93 VanDerWaalsContact C-N 3.31Å; T91-R93 PolarHBondContact O-N 3.29Å; T91-S94 PolarHBondContact O-N 2.82Å; T91-L95 WeakPolarHBondContact O-CB 3.38Å; T91-L95 PolarHBondContact O-N 3.32Å
92	A	70.4	Confident	67.3	Low	47 Å²	47	77.9 Å²	77.9	39%	0.388	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-40.6	175.7	0	0	0	0	0	111.9	L88 L95 G96	L88-A92 WeakPolarHBondContact O-CB 3.28Å; L88-A92 PolarHBondContact O-N 3.32Å; A92-L95 PolarHBondContact O-N 3.1Å; A92-G96 PolarHBondContact O-N 3.18Å
93	R	67.6	Low	66.2	Low	33 Å²	33	73.6 Å²	73.6	13%	0.125	40%	0.395	C	S	.	.	H	α-helix	trans	-61.5	-52.5	174.6	-179.8	-178.7	-51.4	102.4	0.9	111.7	V89 N90 T91 L95 G96 E97 L169	V89-R93 WeakPolarHBondContact O-CB 3.35Å; V89-R93 PolarHBondContact O-N 3.4Å; N90-R93 PolarHBondContact O-N 3.46Å; N90-R93 PolarHBondContact OD1-NH1 3.41Å; T91-R93 VanDerWaalsContact C-N 3.31Å; T91-R93 PolarHBondContact O-N 3.29Å; R93-L95 PolarHBondContact O-N 2.9Å; R93-G96 PolarHBondContact O-N 2.9Å; R93-G96 VanDerWaalsContact O-N 3.1Å; R93-E97 VanDerWaalsContact CD-OE1 3.29Å; R93-E97 WeakPolarHBondContact CD-OE1 3.48Å; R93-E97 HydrophobicContact CG-CG 4.23Å; R93-E97 VanDerWaalsContact CG-OE1 3.24Å; R93-E97 WeakPolarHBondContact CG-OE1 3.48Å; R93-E97 WeakPolarHBondContact O-CG 3.48Å; R93-E97 PolarHBondContact O-N 3.45Å; R93-L169 HydrophobicContact CB-CD1 4.49Å; R93-L169 HydrophobicContact CG-CD1 4.04Å; R93-L169 HydrophobicContact CG-CD2 4.33Å
94	S	72	Confident	65.3	Low	49 Å²	49	78 Å²	78	34%	0.343	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-35.8	-178.9	-176.2	0	0	0	0	111.6	N90 T91 K98	N90-S94 WeakPolarHBondContact O-CB 3.43Å; N90-S94 PolarHBondContact O-N 3.15Å; T91-S94 PolarHBondContact O-N 2.82Å; S94-K98 VanDerWaalsContact O-CG 3.29Å; S94-K98 WeakPolarHBondContact O-CG 3.31Å; S94-K98 PolarHBondContact O-N 3.13Å; S94-K98 VanDerWaalsContact O-N 3.09Å
95	L	72.6	Confident	64.4	Low	41 Å²	41	75.5 Å²	75.5	22%	0.215	40%	0.403	C	S	.	.	H	α-helix	trans	-65.5	-48.4	173.8	-169.7	71.4	0	0	0	111.4	F73 T91 A92 R93 E97 K98 H99 W112	F73-L95 HydrophobicContact CD1-CD2 4.16Å; F73-L95 HydrophobicContact CD2-CD2 3.74Å; F73-L95 HydrophobicContact CE1-CD2 4.07Å; F73-L95 HydrophobicContact CE2-CB 4.43Å; F73-L95 HydrophobicContact CE2-CD2 3.64Å; F73-L95 HydrophobicContact CG-CD2 3.99Å; F73-L95 HydrophobicContact CZ-CD2 3.81Å; T91-L95 WeakPolarHBondContact O-CB 3.38Å; T91-L95 PolarHBondContact O-N 3.32Å; A92-L95 PolarHBondContact O-N 3.1Å; R93-L95 PolarHBondContact O-N 2.9Å; L95-E97 PolarHBondContact O-N 2.69Å; L95-K98 PolarHBondContact O-N 3.18Å; L95-H99 VanDerWaalsContact CD1-CE1 3.49Å; L95-H99 WeakPolarHBondContact CD1-CE1 3.24Å; L95-H99 PolarHBondContact O-N 3.22Å; L95-H99 VanDerWaalsContact O-N 3.12Å; L95-H99 PolarHBondContact O-ND1 3.27Å; L95-W112 HydrophobicContact CD2-CH2 3.88Å; L95-W112 HydrophobicContact CD2-CZ3 4.13Å; L95-W112 HydrophobicContact CG-CH2 4.01Å
96	G	68.3	Low	64.2	Low	24 Å²	24	76.3 Å²	76.3	25%	0.247	41%	0.406	C	S	.	.	H	α-helix	trans	-60.3	-43	177.2	0	0	0	0	0	112.8	A92 R93 K98 H99 F100	A92-G96 PolarHBondContact O-N 3.18Å; R93-G96 PolarHBondContact O-N 2.9Å; R93-G96 VanDerWaalsContact O-N 3.1Å; G96-K98 PolarHBondContact O-N 2.85Å; G96-H99 CarbonylContact O-C 3.12Å; G96-H99 PolarHBondContact O-N 3.01Å; G96-F100 WeakPolarHBondContact O-CB 3.35Å; G96-F100 PolarHBondContact O-N 2.92Å
97	E	67.4	Low	64.1	Low	86 Å²	86	73.7 Å²	73.7	40%	0.402	39%	0.386	S	S	.	.	H	α-helix	trans	-61.3	-43.2	176.5	-74.9	169.1	178.1	0	0	111.6	R93 L95 H99 F100 Y101	R93-E97 VanDerWaalsContact CD-OE1 3.29Å; R93-E97 WeakPolarHBondContact CD-OE1 3.48Å; R93-E97 HydrophobicContact CG-CG 4.23Å; R93-E97 VanDerWaalsContact CG-OE1 3.24Å; R93-E97 WeakPolarHBondContact CG-OE1 3.48Å; R93-E97 WeakPolarHBondContact O-CG 3.48Å; R93-E97 PolarHBondContact O-N 3.45Å; L95-E97 PolarHBondContact O-N 2.69Å; E97-H99 VanDerWaalsContact C-N 3.32Å; E97-H99 PolarHBondContact O-N 3.22Å; E97-F100 PolarHBondContact O-N 3.48Å; E97-Y101 HydrophobicContact CB-CD2 4.45Å; E97-Y101 WeakPolarHBondContact O-CB 3.45Å; E97-Y101 WeakPolarHBondContact O-CD2 3.43Å; E97-Y101 PolarHBondContact O-N 3.5Å
98	K	66.7	Low	63.9	Low	115 Å²	115	69.5 Å²	69.5	50%	0.5	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-40.9	175	-73.7	173.2	-177.2	-178.3	0	111.7	S94 L95 G96 F100 F102	S94-K98 VanDerWaalsContact O-CG 3.29Å; S94-K98 WeakPolarHBondContact O-CG 3.31Å; S94-K98 PolarHBondContact O-N 3.13Å; S94-K98 VanDerWaalsContact O-N 3.09Å; L95-K98 PolarHBondContact O-N 3.18Å; G96-K98 PolarHBondContact O-N 2.85Å; K98-F100 VanDerWaalsContact C-N 3.29Å; K98-F100 PolarHBondContact O-N 3.3Å; K98-F102 HydrophobicContact CG-CD2 4.35Å; K98-F102 WeakPolarHBondContact O-CA 3.02Å; K98-F102 VanDerWaalsContact O-CB 3.22Å; K98-F102 WeakPolarHBondContact O-CB 3.2Å; K98-F102 PolarHBondContact O-N 2.86Å
99	H	68.5	Low	63.9	Low	48 Å²	48	69.3 Å²	69.3	22%	0.222	38%	0.375	C	S	.	.	H	α-helix	trans	-85.8	1.4	-178.7	-66	78.6	0	0	0	114.5	L95 G96 E97 F107 W112	L95-H99 VanDerWaalsContact CD1-CE1 3.49Å; L95-H99 WeakPolarHBondContact CD1-CE1 3.24Å; L95-H99 PolarHBondContact O-N 3.22Å; L95-H99 VanDerWaalsContact O-N 3.12Å; L95-H99 PolarHBondContact O-ND1 3.27Å; G96-H99 CarbonylContact O-C 3.12Å; G96-H99 PolarHBondContact O-N 3.01Å; E97-H99 VanDerWaalsContact C-N 3.32Å; E97-H99 PolarHBondContact O-N 3.22Å; H99-F107 HydrophobicContact CB-CB 3.91Å; H99-F107 PolarHBondContact O-N 2.92Å; H99-W112 HydrophobicContact CB-CH2 4.49Å; H99-W112 HydrophobicContact CB-CZ2 3.8Å; H99-W112 AromaticContact CG-CZ2 3.96Å
100	F	59.4	Low	64	Low	104 Å²	104	71.4 Å²	71.4	46%	0.456	38%	0.381	S	S	.	.	H	α-helix	trans	-106.3	-36.4	169.8	-172.2	-91.9	0	0	0	111.6	G96 E97 K98	G96-F100 WeakPolarHBondContact O-CB 3.35Å; G96-F100 PolarHBondContact O-N 2.92Å; E97-F100 PolarHBondContact O-N 3.48Å; K98-F100 VanDerWaalsContact C-N 3.29Å; K98-F100 PolarHBondContact O-N 3.3Å
101	Y	50.4	Low	64.4	Low	167 Å²	167	70 Å²	70	66%	0.655	37%	0.37	S	S	*	.	H	α-helix	trans	-107.1	-23.5	-172.6	-70.4	-73.6	0	0	0	115	E97 G103	E97-Y101 HydrophobicContact CB-CD2 4.45Å; E97-Y101 WeakPolarHBondContact O-CB 3.45Å; E97-Y101 WeakPolarHBondContact O-CD2 3.43Å; E97-Y101 PolarHBondContact O-N 3.5Å; Y101-G103 PolarHBondContact O-N 3.42Å
102	F	39.7	Very low	64.8	Low	159 Å²	159	71.9 Å²	71.9	70%	0.697	37%	0.374	S	S	*	.	S	Bend	trans	-89.6	107.7	178.4	-90.4	-101.4	0	0	0	111.5	K98	K98-F102 HydrophobicContact CG-CD2 4.35Å; K98-F102 WeakPolarHBondContact O-CA 3.02Å; K98-F102 VanDerWaalsContact O-CB 3.22Å; K98-F102 WeakPolarHBondContact O-CB 3.2Å; K98-F102 PolarHBondContact O-N 2.86Å
103	G	45.2	Very low	65.2	Low	61 Å²	61	72.3 Å²	72.3	63%	0.629	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	31.2	149.3	0	0	0	0	0	117.9	Y101 V105	Y101-G103 PolarHBondContact O-N 3.42Å; G103-V105 PolarHBondContact O-N 3.41Å
104	N	50.6	Low	65.8	Low	174 Å²	174	72.9 Å²	72.9	93%	0.93	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	11.9	-176	-61.6	-30.8	0	0	0	114.3	V106	N104-V106 PolarHBondContact O-N 3.12Å
105	V	54.3	Low	66.4	Low	39 Å²	39	71.3 Å²	71.3	24%	0.236	36%	0.362	C	S	.	.			trans	-87.7	105.6	173.8	173.8	0	0	0	0	107.4	I46 G103 F107	I46-V105 HydrophobicContact CB-CG1 4.12Å; I46-V105 HydrophobicContact CG1-CG1 4.11Å; I46-V105 HydrophobicContact CG2-CG1 3.22Å; G103-V105 PolarHBondContact O-N 3.41Å; V105-F107 PolarHBondContact O-N 3.2Å
106	V	65	Low	66.7	Low	90 Å²	90	73.6 Å²	73.6	55%	0.545	37%	0.37	S	S	.	.			trans	-92.5	91.4	169	-177.4	0	0	0	0	107.1	N104 D108	N104-V106 PolarHBondContact O-N 3.12Å; V106-D108 HydrophobicContact CG1-CB 4.43Å; V106-D108 PolarHBondContact O-N 3.3Å; V106-D108 VanDerWaalsContact O-N 3.14Å
107	F	69.8	Low	67.1	Low	11 Å²	11	76.8 Å²	76.8	5%	0.048	38%	0.379	C	S	.	.			trans	-81.4	91.3	168.3	-159.1	-92.9	0	0	0	108.3	I43 I46 F47 H99 V105 Y111 W112 M115	I43-F107 HydrophobicContact CD1-CE2 4.35Å; I43-F107 HydrophobicContact CD1-CZ 4.4Å; I43-F107 HydrophobicContact CG1-CE2 4.19Å; I43-F107 HydrophobicContact CG2-CE2 4.31Å; I46-F107 HydrophobicContact CD1-CD2 3.96Å; I46-F107 HydrophobicContact CG2-CD2 3.8Å; F47-F107 HydrophobicContact CE2-CD2 4.33Å; F47-F107 AromaticContact CE2-CE2 3.78Å; F47-F107 HydrophobicContact CE2-CE2 3.78Å; H99-F107 HydrophobicContact CB-CB 3.91Å; H99-F107 PolarHBondContact O-N 2.92Å; V105-F107 PolarHBondContact O-N 3.2Å; F107-Y111 HydrophobicContact CD2-CD2 4.16Å; F107-Y111 HydrophobicContact CD2-CG 4.42Å; F107-Y111 VanDerWaalsContact CE1-CB 3.45Å; F107-Y111 HydrophobicContact CE2-CD2 4.46Å; F107-Y111 HydrophobicContact CE2-CG 4.29Å; F107-Y111 HydrophobicContact CG-CD2 4.39Å; F107-W112 AromaticContact CD1-CD1 3.74Å; F107-W112 AromaticContact CD1-CD2 3.54Å; F107-W112 HydrophobicContact CD1-CD2 3.54Å; F107-W112 AromaticContact CD1-CE2 3.42Å; F107-W112 VanDerWaalsContact CD1-CE2 3.42Å; F107-W112 HydrophobicContact CD1-CE3 4.09Å; F107-W112 AromaticContact CD1-CG 3.77Å; F107-W112 HydrophobicContact CD1-CG 3.77Å; F107-W112 HydrophobicContact CD1-CH2 4.36Å; F107-W112 AromaticContact CD1-CZ2 3.87Å; F107-W112 HydrophobicContact CD1-CZ2 3.87Å; F107-W112 HydrophobicContact CD1-CZ3 4.46Å; F107-W112 AromaticContact CD1-NE1 3.53Å; F107-W112 HydrophobicContact CE1-CB 4.36Å; F107-W112 AromaticContact CE1-CD2 3.61Å; F107-W112 HydrophobicContact CE1-CD2 3.61Å; F107-W112 AromaticContact CE1-CE2 3.97Å; F107-W112 AromaticContact CE1-CE3 3.76Å; F107-W112 HydrophobicContact CE1-CE3 3.76Å; F107-W112 AromaticContact CE1-CG 3.88Å; F107-W112 HydrophobicContact CE1-CG 3.88Å; F107-W112 HydrophobicContact CE1-CZ2 4.43Å; F107-W112 HydrophobicContact CE1-CZ3 4.22Å; F107-W112 VanDerWaalsContact CE1-N 3.31Å; F107-W112 PolarHBondContact O-NE1 3.48Å; F107-W112 VanDerWaalsContact O-NE1 3.13Å; F107-M115 HydrophobicContact CZ-CB 4.39Å; F107-M115 HydrophobicContact CZ-SD 4.39Å
108	D	70	Confident	67.9	Low	29 Å²	29	73.5 Å²	73.5	16%	0.155	37%	0.365	C	S	.	.			trans	-69.6	173	-173.2	73.9	26.7	0	0	0	113.2	V106 E110 Y111 W112 M158	V106-D108 HydrophobicContact CG1-CB 4.43Å; V106-D108 PolarHBondContact O-N 3.3Å; V106-D108 VanDerWaalsContact O-N 3.14Å; D108-E110 PolarHBondContact O-N 2.85Å; D108-E110 WeakPolarHBondContact OD1-CA 3.42Å; D108-E110 WeakPolarHBondContact OD1-CB 3.29Å; D108-E110 PolarHBondContact OD1-N 2.83Å; D108-Y111 HydrophobicContact CB-CD2 4.48Å; D108-Y111 PolarHBondContact O-N 3.26Å; D108-Y111 WeakPolarHBondContact OD1-CD2 3.24Å; D108-Y111 PolarHBondContact OD1-N 2.79Å; D108-W112 PolarHBondContact O-N 3.48Å; D108-W112 VanDerWaalsContact O-N 3.08Å; D108-M158 HydrophobicContact CB-CE 3.68Å
109	A	69.9	Low	68.7	Low	20 Å²	20	69.3 Å²	69.3	17%	0.165	35%	0.347	C	S	.	.	H	α-helix	trans	-63.4	-29.1	-179	0	0	0	0	0	113.1	W112 L113 L161 L165	A109-W112 PolarHBondContact O-N 2.71Å; A109-L113 VanDerWaalsContact O-CG 3.26Å; A109-L113 WeakPolarHBondContact O-CG 3.45Å; A109-L113 PolarHBondContact O-N 2.89Å; A109-L161 HydrophobicContact CB-CD2 3.19Å; A109-L165 HydrophobicContact CB-CD1 4.35Å
110	E	72	Confident	69.1	Low	90 Å²	90	68.1 Å²	68.1	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-69.4	-41.5	178	-57.8	-163.6	148.9	0	0	110.3	D108 W112 L113 L114	D108-E110 PolarHBondContact O-N 2.85Å; D108-E110 WeakPolarHBondContact OD1-CA 3.42Å; D108-E110 WeakPolarHBondContact OD1-CB 3.29Å; D108-E110 PolarHBondContact OD1-N 2.83Å; E110-W112 VanDerWaalsContact C-N 3.35Å; E110-W112 PolarHBondContact O-N 3.39Å; E110-L113 PolarHBondContact O-N 3.06Å; E110-L114 PolarHBondContact O-N 3.01Å
111	Y	81.5	Confident	69.9	Low	49 Å²	49	66.3 Å²	66.3	19%	0.192	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-38.4	173.1	-57.2	-35.6	0	0	0	112.4	I43 I46 F107 D108 L113 L114 M115	I43-Y111 HydrophobicContact CD1-CD1 3.91Å; I43-Y111 HydrophobicContact CD1-CG 4.23Å; I43-Y111 HydrophobicContact CG1-CD1 3.61Å; I43-Y111 HydrophobicContact CG1-CE1 4.07Å; I43-Y111 HydrophobicContact CG1-CG 3.89Å; I46-Y111 HydrophobicContact CD1-CD2 3.55Å; I46-Y111 HydrophobicContact CD1-CE2 3.36Å; F107-Y111 HydrophobicContact CD2-CD2 4.16Å; F107-Y111 HydrophobicContact CD2-CG 4.42Å; F107-Y111 VanDerWaalsContact CE1-CB 3.45Å; F107-Y111 HydrophobicContact CE2-CD2 4.46Å; F107-Y111 HydrophobicContact CE2-CG 4.29Å; F107-Y111 HydrophobicContact CG-CD2 4.39Å; D108-Y111 HydrophobicContact CB-CD2 4.48Å; D108-Y111 PolarHBondContact O-N 3.26Å; D108-Y111 WeakPolarHBondContact OD1-CD2 3.24Å; D108-Y111 PolarHBondContact OD1-N 2.79Å; Y111-L113 VanDerWaalsContact C-N 3.33Å; Y111-L113 PolarHBondContact O-N 3.37Å; Y111-L114 PolarHBondContact O-N 3.1Å; Y111-M115 WeakPolarHBondContact O-CB 3.4Å; Y111-M115 PolarHBondContact O-N 2.64Å
112	W	80.5	Confident	71.4	Confident	74 Å²	74	58.3 Å²	58.3	28%	0.28	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-39.5	172.7	-76.2	115.7	0	0	0	112.8	L95 H99 F107 D108 A109 E110 M115 K116	L95-W112 HydrophobicContact CD2-CH2 3.88Å; L95-W112 HydrophobicContact CD2-CZ3 4.13Å; L95-W112 HydrophobicContact CG-CH2 4.01Å; H99-W112 HydrophobicContact CB-CH2 4.49Å; H99-W112 HydrophobicContact CB-CZ2 3.8Å; H99-W112 AromaticContact CG-CZ2 3.96Å; F107-W112 AromaticContact CD1-CD1 3.74Å; F107-W112 AromaticContact CD1-CD2 3.54Å; F107-W112 HydrophobicContact CD1-CD2 3.54Å; F107-W112 AromaticContact CD1-CE2 3.42Å; F107-W112 VanDerWaalsContact CD1-CE2 3.42Å; F107-W112 HydrophobicContact CD1-CE3 4.09Å; F107-W112 AromaticContact CD1-CG 3.77Å; F107-W112 HydrophobicContact CD1-CG 3.77Å; F107-W112 HydrophobicContact CD1-CH2 4.36Å; F107-W112 AromaticContact CD1-CZ2 3.87Å; F107-W112 HydrophobicContact CD1-CZ2 3.87Å; F107-W112 HydrophobicContact CD1-CZ3 4.46Å; F107-W112 AromaticContact CD1-NE1 3.53Å; F107-W112 HydrophobicContact CE1-CB 4.36Å; F107-W112 AromaticContact CE1-CD2 3.61Å; F107-W112 HydrophobicContact CE1-CD2 3.61Å; F107-W112 AromaticContact CE1-CE2 3.97Å; F107-W112 AromaticContact CE1-CE3 3.76Å; F107-W112 HydrophobicContact CE1-CE3 3.76Å; F107-W112 AromaticContact CE1-CG 3.88Å; F107-W112 HydrophobicContact CE1-CG 3.88Å; F107-W112 HydrophobicContact CE1-CZ2 4.43Å; F107-W112 HydrophobicContact CE1-CZ3 4.22Å; F107-W112 VanDerWaalsContact CE1-N 3.31Å; F107-W112 PolarHBondContact O-NE1 3.48Å; F107-W112 VanDerWaalsContact O-NE1 3.13Å; D108-W112 PolarHBondContact O-N 3.48Å; D108-W112 VanDerWaalsContact O-N 3.08Å; A109-W112 PolarHBondContact O-N 2.71Å; E110-W112 VanDerWaalsContact C-N 3.35Å; E110-W112 PolarHBondContact O-N 3.39Å; W112-M115 HydrophobicContact CE3-SD 4.15Å; W112-M115 HydrophobicContact CZ3-SD 3.87Å; W112-K116 WeakPolarHBondContact O-CB 3.42Å; W112-K116 PolarHBondContact O-N 3.02Å
113	L	77.3	Confident	73.1	Confident	55 Å²	55	51.6 Å²	51.6	29%	0.288	28%	0.278	S	S	.	.	H	α-helix	trans	-67.1	-45.1	176.7	-72.6	178.7	0	0	0	111.4	A109 E110 Y111 K116 E117	A109-L113 VanDerWaalsContact O-CG 3.26Å; A109-L113 WeakPolarHBondContact O-CG 3.45Å; A109-L113 PolarHBondContact O-N 2.89Å; E110-L113 PolarHBondContact O-N 3.06Å; Y111-L113 VanDerWaalsContact C-N 3.33Å; Y111-L113 PolarHBondContact O-N 3.37Å; L113-K116 WeakPolarHBondContact O-CB 3.19Å; L113-K116 PolarHBondContact O-N 3.23Å; L113-E117 WeakPolarHBondContact O-CG 3.22Å; L113-E117 PolarHBondContact O-N 2.95Å
114	L	81.6	Confident	74.3	Confident	46 Å²	46	49.1 Å²	49.1	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-45.9	176.1	-178	59.1	0	0	0	111.5	L36 N40 I43 E110 Y111 K116 E117 V118	L36-L114 HydrophobicContact CD2-CD2 4.42Å; L36-L114 HydrophobicContact CD2-CG 3.87Å; N40-L114 HydrophobicContact CB-CD2 4.01Å; I43-L114 HydrophobicContact CD1-CD2 3.85Å; E110-L114 PolarHBondContact O-N 3.01Å; Y111-L114 PolarHBondContact O-N 3.1Å; L114-K116 VanDerWaalsContact C-N 3.3Å; L114-K116 PolarHBondContact O-N 3.48Å; L114-E117 PolarHBondContact O-N 3.13Å; L114-V118 HydrophobicContact CD1-CG2 4.31Å; L114-V118 WeakPolarHBondContact O-CG2 3.5Å; L114-V118 PolarHBondContact O-N 3.38Å
115	M	83.7	Confident	75.4	Confident	15 Å²	15	44 Å²	44	7%	0.074	23%	0.23	C	C	.	.	H	α-helix	trans	-55.2	-46.9	174.4	-175.5	175.5	-170	0	0	111.5	L36 I70 F107 Y111 W112 V118 I119	L36-M115 HydrophobicContact CD1-CB 4.14Å; L36-M115 HydrophobicContact CD1-CG 3.79Å; L36-M115 HydrophobicContact CD2-CB 4.25Å; I70-M115 HydrophobicContact CD1-CE 3.97Å; I70-M115 HydrophobicContact CG1-CE 3.87Å; I70-M115 HydrophobicContact CG2-CE 4.31Å; F107-M115 HydrophobicContact CZ-CB 4.39Å; F107-M115 HydrophobicContact CZ-SD 4.39Å; Y111-M115 WeakPolarHBondContact O-CB 3.4Å; Y111-M115 PolarHBondContact O-N 2.64Å; W112-M115 HydrophobicContact CE3-SD 4.15Å; W112-M115 HydrophobicContact CZ3-SD 3.87Å; M115-V118 PolarHBondContact O-N 3.36Å; M115-I119 HydrophobicContact CE-CD1 4.23Å; M115-I119 HydrophobicContact CG-CD1 3.82Å; M115-I119 WeakPolarHBondContact O-CB 3.46Å; M115-I119 WeakPolarHBondContact O-CD1 3.37Å; M115-I119 WeakPolarHBondContact O-CG1 3.33Å; M115-I119 PolarHBondContact O-N 2.89Å
116	K	79.1	Confident	76.2	Confident	90 Å²	90	47.1 Å²	47.1	39%	0.391	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-42.5	177.7	-177.2	179.2	-179.4	-172.5	0	112.4	W112 L113 L114 I119 I120 F140	W112-K116 WeakPolarHBondContact O-CB 3.42Å; W112-K116 PolarHBondContact O-N 3.02Å; L113-K116 WeakPolarHBondContact O-CB 3.19Å; L113-K116 PolarHBondContact O-N 3.23Å; L114-K116 VanDerWaalsContact C-N 3.3Å; L114-K116 PolarHBondContact O-N 3.48Å; K116-I119 PolarHBondContact O-N 3.46Å; K116-I120 HydrophobicContact CG-CD1 3.99Å; K116-I120 VanDerWaalsContact O-CG1 3.29Å; K116-I120 WeakPolarHBondContact O-CG1 3.41Å; K116-I120 PolarHBondContact O-N 3.32Å; K116-F140 HydrophobicContact CD-CD2 4.01Å; K116-F140 HydrophobicContact CD-CE2 3.95Å; K116-F140 HydrophobicContact CG-CD2 4.45Å; K116-F140 HydrophobicContact CG-CE2 4.34Å
117	E	77.2	Confident	76.1	Confident	91 Å²	91	43.8 Å²	43.8	43%	0.425	22%	0.218	S	C	.	.	H	α-helix	trans	-62.2	-47.5	178.2	-75.7	178.7	177.4	0	0	111.6	L113 L114 I120 D121 F140	L113-E117 WeakPolarHBondContact O-CG 3.22Å; L113-E117 PolarHBondContact O-N 2.95Å; L114-E117 PolarHBondContact O-N 3.13Å; E117-I120 PolarHBondContact O-N 2.79Å; E117-D121 WeakPolarHBondContact O-CB 3.22Å; E117-D121 PolarHBondContact O-N 3.34Å; E117-F140 HydrophobicContact CG-CE1 3.94Å; E117-F140 HydrophobicContact CG-CE2 4.17Å; E117-F140 HydrophobicContact CG-CZ 3.45Å; E117-F140 VanDerWaalsContact CG-CZ 3.45Å; E117-F140 VanDerWaalsContact OE1-CZ 3.3Å; E117-F140 WeakPolarHBondContact OE1-CZ 3.48Å
118	V	84.2	Confident	75.3	Confident	17 Å²	17	54.8 Å²	54.8	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-44	177.7	175.2	0	0	0	0	111.4	I32 R35 L36 L114 M115 I120 D121 V122	I32-V118 HydrophobicContact CB-CG1 4.5Å; I32-V118 HydrophobicContact CG2-CG1 4.24Å; I32-V118 WeakPolarHBondContact O-CG1 3.48Å; R35-V118 HydrophobicContact CB-CG1 3.73Å; L36-V118 HydrophobicContact CD2-CB 4.01Å; L36-V118 HydrophobicContact CD2-CG2 3.69Å; L36-V118 HydrophobicContact CG-CB 4.03Å; L36-V118 HydrophobicContact CG-CG1 4.09Å; L36-V118 HydrophobicContact CG-CG2 4.05Å; L114-V118 HydrophobicContact CD1-CG2 4.31Å; L114-V118 WeakPolarHBondContact O-CG2 3.5Å; L114-V118 PolarHBondContact O-N 3.38Å; M115-V118 PolarHBondContact O-N 3.36Å; V118-I120 VanDerWaalsContact C-N 3.35Å; V118-I120 PolarHBondContact O-N 3.05Å; V118-D121 PolarHBondContact O-N 3.17Å; V118-V122 HydrophobicContact CG1-CG2 4.12Å; V118-V122 WeakPolarHBondContact O-CB 3.35Å; V118-V122 WeakPolarHBondContact O-CG2 3.41Å; V118-V122 PolarHBondContact O-N 2.9Å
119	I	83.3	Confident	74.4	Confident	27 Å²	27	58.1 Å²	58.1	14%	0.138	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-49.4	175.7	-70.2	162.7	0	0	0	110.5	I32 L74 M115 K116 D121 V123	I32-I119 HydrophobicContact CD1-CB 4.48Å; I32-I119 HydrophobicContact CD1-CG1 4.09Å; I32-I119 HydrophobicContact CD1-CG2 4.49Å; I32-I119 HydrophobicContact CG1-CG1 4.42Å; I32-I119 HydrophobicContact CG2-CG1 3.7Å; L74-I119 HydrophobicContact CD2-CD1 4.33Å; L74-I119 HydrophobicContact CD2-CG2 4.17Å; M115-I119 HydrophobicContact CE-CD1 4.23Å; M115-I119 HydrophobicContact CG-CD1 3.82Å; M115-I119 WeakPolarHBondContact O-CB 3.46Å; M115-I119 WeakPolarHBondContact O-CD1 3.37Å; M115-I119 WeakPolarHBondContact O-CG1 3.33Å; M115-I119 PolarHBondContact O-N 2.89Å; K116-I119 PolarHBondContact O-N 3.46Å; I119-D121 VanDerWaalsContact C-N 3.33Å; I119-D121 PolarHBondContact O-N 2.84Å; I119-V123 HydrophobicContact CG2-CG2 4.24Å; I119-V123 WeakPolarHBondContact O-CB 3.27Å; I119-V123 WeakPolarHBondContact O-CG2 3.47Å; I119-V123 PolarHBondContact O-N 3.45Å
120	I	75.9	Confident	73.5	Confident	23 Å²	23	65.6 Å²	65.6	12%	0.118	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-44.1	-179.6	-70.9	169.1	0	0	0	110.4	K116 E117 V118 A124 L136 K137 F140	K116-I120 HydrophobicContact CG-CD1 3.99Å; K116-I120 VanDerWaalsContact O-CG1 3.29Å; K116-I120 WeakPolarHBondContact O-CG1 3.41Å; K116-I120 PolarHBondContact O-N 3.32Å; E117-I120 PolarHBondContact O-N 2.79Å; V118-I120 VanDerWaalsContact C-N 3.35Å; V118-I120 PolarHBondContact O-N 3.05Å; I120-A124 WeakPolarHBondContact O-CB 3.48Å; I120-A124 PolarHBondContact O-N 3.5Å; I120-L136 HydrophobicContact CG2-CB 4.35Å; I120-K137 HydrophobicContact CG2-CG 4.08Å; I120-F140 HydrophobicContact CD1-CB 4.05Å; I120-F140 HydrophobicContact CD1-CD2 4.02Å; I120-F140 HydrophobicContact CD1-CG 4.12Å
121	D	76.5	Confident	72.4	Confident	65 Å²	65	69.5 Å²	69.5	35%	0.348	33%	0.327	S	S	.	.	H	α-helix	trans	-66.3	-46.7	-178.3	-169.7	64.4	0	0	0	112.6	R35 E117 V118 I119 A124 S125 K137	R35-D121 IonicContact CZ-OD2 3.42Å; R35-D121 IonicContact NH1-OD2 3.48Å; R35-D121 PolarHBondContact NH1-OD2 3.41Å; E117-D121 WeakPolarHBondContact O-CB 3.22Å; E117-D121 PolarHBondContact O-N 3.34Å; V118-D121 PolarHBondContact O-N 3.17Å; I119-D121 VanDerWaalsContact C-N 3.33Å; I119-D121 PolarHBondContact O-N 2.84Å; D121-A124 WeakPolarHBondContact O-CB 3.26Å; D121-A124 PolarHBondContact O-N 2.87Å; D121-S125 WeakPolarHBondContact O-CB 3.23Å; D121-S125 PolarHBondContact O-N 3.23Å; D121-K137 IonicContact OD1-NZ 3.71Å
122	V	82.4	Confident	70.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.2	-49.4	178.8	174.5	0	0	0	0	110.5	L28 E31 I32 V118 A124 S125 K126	L28-V122 HydrophobicContact CD1-CG1 3.67Å; L28-V122 HydrophobicContact CG-CG1 4.07Å; E31-V122 HydrophobicContact CB-CG1 4.25Å; E31-V122 HydrophobicContact CG-CG1 4.07Å; E31-V122 HydrophobicContact CG-CG2 4.08Å; I32-V122 HydrophobicContact CD1-CB 4.42Å; I32-V122 HydrophobicContact CD1-CG1 4.36Å; I32-V122 HydrophobicContact CG1-CB 3.69Å; I32-V122 HydrophobicContact CG1-CG1 3.8Å; I32-V122 HydrophobicContact CG1-CG2 3.89Å; V118-V122 HydrophobicContact CG1-CG2 4.12Å; V118-V122 WeakPolarHBondContact O-CB 3.35Å; V118-V122 WeakPolarHBondContact O-CG2 3.41Å; V118-V122 PolarHBondContact O-N 2.9Å; V122-A124 VanDerWaalsContact C-N 3.31Å; V122-A124 PolarHBondContact O-N 2.8Å; V122-S125 WeakPolarHBondContact O-CB 3.45Å; V122-S125 PolarHBondContact O-N 2.9Å; V122-S125 VanDerWaalsContact O-N 3.11Å; V122-S125 PolarHBondContact O-OG 3.3Å; V122-K126 PolarHBondContact O-N 3.21Å
123	V	75.4	Confident	69.3	Low	18 Å²	18	64.9 Å²	64.9	11%	0.109	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-44.8	177	167.6	0	0	0	0	110.9	L28 I119 S125 K126 Q127	L28-V123 HydrophobicContact CD1-CG2 4.42Å; L28-V123 HydrophobicContact CD2-CG2 4.01Å; I119-V123 HydrophobicContact CG2-CG2 4.24Å; I119-V123 WeakPolarHBondContact O-CB 3.27Å; I119-V123 WeakPolarHBondContact O-CG2 3.47Å; I119-V123 PolarHBondContact O-N 3.45Å; V123-S125 VanDerWaalsContact C-N 3.31Å; V123-S125 PolarHBondContact O-N 3.09Å; V123-K126 PolarHBondContact O-N 2.68Å; V123-Q127 HydrophobicContact CG1-CG 4.45Å; V123-Q127 VanDerWaalsContact O-CG 3.31Å; V123-Q127 WeakPolarHBondContact O-CG 3.35Å; V123-Q127 PolarHBondContact O-N 3.24Å
124	A	71	Confident	68.1	Low	9 Å²	9	67.1 Å²	67.1	7%	0.074	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-39.1	176.3	0	0	0	0	0	113.1	I120 D121 V122 K126 Q127 T133	I120-A124 WeakPolarHBondContact O-CB 3.48Å; I120-A124 PolarHBondContact O-N 3.5Å; D121-A124 WeakPolarHBondContact O-CB 3.26Å; D121-A124 PolarHBondContact O-N 2.87Å; V122-A124 VanDerWaalsContact C-N 3.31Å; V122-A124 PolarHBondContact O-N 2.8Å; A124-K126 PolarHBondContact O-N 3.32Å; A124-Q127 PolarHBondContact O-N 2.89Å; A124-T133 HydrophobicContact CB-CG2 3.34Å
125	S	72.7	Confident	66.9	Low	67 Å²	67	67.2 Å²	67.2	47%	0.469	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-28.1	179.8	80.5	0	0	0	0	113	D121 V122 V123	D121-S125 WeakPolarHBondContact O-CB 3.23Å; D121-S125 PolarHBondContact O-N 3.23Å; V122-S125 WeakPolarHBondContact O-CB 3.45Å; V122-S125 PolarHBondContact O-N 2.9Å; V122-S125 VanDerWaalsContact O-N 3.11Å; V122-S125 PolarHBondContact O-OG 3.3Å; V123-S125 VanDerWaalsContact C-N 3.31Å; V123-S125 PolarHBondContact O-N 3.09Å
126	K	71.8	Confident	65.5	Low	104 Å²	104	68.7 Å²	68.7	45%	0.452	33%	0.332	S	S	.	.	H	α-helix	trans	-89.7	-16.6	179	-53.7	-46	-179.6	-166.7	0	113.4	L28 E31 V122 V123 A124	L28-K126 HydrophobicContact CD1-CB 4.28Å; L28-K126 HydrophobicContact CD1-CG 3.54Å; E31-K126 IonicContact OE1-NZ 2.65Å; E31-K126 WeakPolarHBondContact OE2-CE 3.25Å; E31-K126 IonicContact OE2-NZ 3.78Å; E31-K126 PolarHBondContact OE2-NZ 2.77Å; V122-K126 PolarHBondContact O-N 3.21Å; V123-K126 PolarHBondContact O-N 2.68Å; A124-K126 PolarHBondContact O-N 3.32Å
127	Q	62	Low	64.3	Low	19 Å²	19	68.2 Å²	68.2	9%	0.089	33%	0.33	C	S	.	.			trans	-79.7	125.9	-178.7	-76.1	172.6	6.3	0	0	111.9	S18 V123 A124	S18-Q127 PolarHBondContact OG-NE2 2.95Å; V123-Q127 HydrophobicContact CG1-CG 4.45Å; V123-Q127 VanDerWaalsContact O-CG 3.31Å; V123-Q127 WeakPolarHBondContact O-CG 3.35Å; V123-Q127 PolarHBondContact O-N 3.24Å; A124-Q127 PolarHBondContact O-N 2.89Å
128	R	52.5	Low	63.3	Low	243 Å²	243	66.4 Å²	66.4	92%	0.917	32%	0.323	S	S	*	.	S	Bend	trans	-115.3	131.7	155.4	-69.8	-173.3	178.8	-172.8	0.8	107.6
129	P	51.7	Low	61.9	Low	98 Å²	98	67.3 Å²	67.3	64%	0.636	33%	0.333	S	S	*	.	S	Bend	cis	-89.9	153.8	0.7	33.9	-31.5	0	0	0	113.2	K131	P129-K131 PolarHBondContact O-N 3.4Å
130	K	50.2	Low	60.3	Low	178 Å²	178	67.1 Å²	67.1	77%	0.774	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-0.4	-177.1	-60.6	179.8	178	179.9	0	116.9	T133 Q134	K130-T133 VanDerWaalsContact O-CB 3.31Å; K130-T133 WeakPolarHBondContact O-CB 3.4Å; K130-Q134 PolarHBondContact O-N 2.83Å
131	K	49.5	Very low	59.1	Low	172 Å²	172	69.9 Å²	69.9	75%	0.748	35%	0.345	S	S	*	.	H	α-helix	trans	-70.4	-38.9	179.6	-72	-176.1	178.6	177.5	0	112.5	P129 T133 Q134 V135	P129-K131 PolarHBondContact O-N 3.4Å; K131-T133 VanDerWaalsContact C-N 3.29Å; K131-T133 PolarHBondContact O-N 3.31Å; K131-Q134 PolarHBondContact O-N 3.49Å; K131-V135 PolarHBondContact O-N 3.45Å
132	A	47.2	Very low	58	Low	8 Å²	8	73.3 Å²	73.3	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-40.1	176.9	0	0	0	0	0	111.8	V14 Q134 V135 L136	V14-A132 HydrophobicContact CG1-CB 3.29Å; A132-Q134 PolarHBondContact O-N 2.81Å; A132-V135 PolarHBondContact O-N 3.32Å; A132-L136 PolarHBondContact O-N 3.37Å; A132-L136 VanDerWaalsContact O-N 3.15Å
133	T	49.5	Very low	56.5	Low	18 Å²	18	76 Å²	76	11%	0.11	37%	0.366	C	S	.	.	H	α-helix	trans	-54.3	-47.4	173.7	-50.1	0	0	0	0	112.8	A124 K130 K131 L136 K137	A124-T133 HydrophobicContact CB-CG2 3.34Å; K130-T133 VanDerWaalsContact O-CB 3.31Å; K130-T133 WeakPolarHBondContact O-CB 3.4Å; K131-T133 VanDerWaalsContact C-N 3.29Å; K131-T133 PolarHBondContact O-N 3.31Å; T133-L136 PolarHBondContact O-N 3.44Å; T133-K137 HydrophobicContact CG2-CD 4.19Å; T133-K137 WeakPolarHBondContact O-CB 3.45Å; T133-K137 WeakPolarHBondContact O-CG 3.19Å; T133-K137 PolarHBondContact O-N 2.84Å
134	Q	53.3	Low	55	Low	101 Å²	101	76.9 Å²	76.9	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-68.1	-39	-177.3	-165.9	63.5	37.8	0	0	111.3	K130 K131 A132 L136 K137 D138	K130-Q134 PolarHBondContact O-N 2.83Å; K131-Q134 PolarHBondContact O-N 3.49Å; A132-Q134 PolarHBondContact O-N 2.81Å; Q134-L136 PolarHBondContact O-N 2.89Å; Q134-K137 PolarHBondContact O-N 3.05Å; Q134-D138 PolarHBondContact NE2-OD1 3.49Å; Q134-D138 VanDerWaalsContact O-CB 3.25Å; Q134-D138 WeakPolarHBondContact O-CB 3.08Å; Q134-D138 PolarHBondContact O-N 3.24Å
135	V	56.5	Low	53.8	Low	49 Å²	49	86.6 Å²	86.6	30%	0.297	40%	0.404	S	S	.	.	H	α-helix	trans	-62	-44.5	177.7	174.5	0	0	0	0	111.4	D11 K131 A132 A139	D11-V135 HydrophobicContact CB-CG1 4.45Å; D11-V135 WeakPolarHBondContact OD1-CG1 3.39Å; K131-V135 PolarHBondContact O-N 3.45Å; A132-V135 PolarHBondContact O-N 3.32Å; V135-A139 VanDerWaalsContact O-CB 3.23Å; V135-A139 WeakPolarHBondContact O-CB 3.37Å; V135-A139 PolarHBondContact O-N 2.84Å
136	L	53	Low	52.7	Low	46 Å²	46	90.5 Å²	90.5	24%	0.241	41%	0.412	C	S	.	.	H	α-helix	trans	-66.2	-45	177.6	-73.6	171	0	0	0	111.9	I15 I120 A132 T133 Q134 F140	I15-L136 HydrophobicContact CD1-CD2 4.42Å; I15-L136 HydrophobicContact CG1-CD2 4.44Å; I120-L136 HydrophobicContact CG2-CB 4.35Å; A132-L136 PolarHBondContact O-N 3.37Å; A132-L136 VanDerWaalsContact O-N 3.15Å; T133-L136 PolarHBondContact O-N 3.44Å; Q134-L136 PolarHBondContact O-N 2.89Å; L136-F140 VanDerWaalsContact O-CB 3.28Å; L136-F140 WeakPolarHBondContact O-CB 3.31Å; L136-F140 PolarHBondContact O-N 3.35Å
137	K	54.3	Low	51.6	Low	80 Å²	80	88.9 Å²	88.9	35%	0.348	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-42.7	176.1	-75.1	-173.5	177	-172.2	0	111.9	I120 D121 T133 Q134 F140 L141	I120-K137 HydrophobicContact CG2-CG 4.08Å; D121-K137 IonicContact OD1-NZ 3.71Å; T133-K137 HydrophobicContact CG2-CD 4.19Å; T133-K137 WeakPolarHBondContact O-CB 3.45Å; T133-K137 WeakPolarHBondContact O-CG 3.19Å; T133-K137 PolarHBondContact O-N 2.84Å; Q134-K137 PolarHBondContact O-N 3.05Å; K137-F140 WeakPolarHBondContact O-CB 3.37Å; K137-F140 PolarHBondContact O-N 3.08Å; K137-L141 WeakPolarHBondContact O-CB 3.49Å; K137-L141 WeakPolarHBondContact O-CG 3.5Å; K137-L141 PolarHBondContact O-N 3.28Å
138	D	56.8	Low	50.5	Low	53 Å²	53	92.4 Å²	92.4	28%	0.283	42%	0.423	S	S	.	.	H	α-helix	trans	-70	-40.8	179.4	-71.3	-13.2	0	0	0	112.1	Q134 F140 L141 R142	Q134-D138 PolarHBondContact NE2-OD1 3.49Å; Q134-D138 VanDerWaalsContact O-CB 3.25Å; Q134-D138 WeakPolarHBondContact O-CB 3.08Å; Q134-D138 PolarHBondContact O-N 3.24Å; D138-F140 VanDerWaalsContact C-N 3.26Å; D138-F140 PolarHBondContact O-N 3.45Å; D138-L141 PolarHBondContact O-N 3.01Å; D138-R142 VanDerWaalsContact O-CB 3.26Å; D138-R142 WeakPolarHBondContact O-CB 3.42Å; D138-R142 VanDerWaalsContact O-CG 3.22Å; D138-R142 WeakPolarHBondContact O-CG 3.32Å; D138-R142 PolarHBondContact O-N 3.18Å; D138-R142 PolarHBondContact O-NE 3.28Å
139	A	55.4	Low	50	Low	36 Å²	36	87.8 Å²	87.8	30%	0.298	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-40.4	173.4	0	0	0	0	0	110.8	V135 E143	V135-A139 VanDerWaalsContact O-CB 3.23Å; V135-A139 WeakPolarHBondContact O-CB 3.37Å; V135-A139 PolarHBondContact O-N 2.84Å; A139-E143 PolarHBondContact O-N 2.75Å; A139-E143 VanDerWaalsContact O-N 3.13Å
140	F	49.3	Very low	49.7	Very low	22 Å²	22	87.5 Å²	87.5	10%	0.096	41%	0.413	C	S	.	.	H	α-helix	trans	-63.1	-54	174.6	176.5	-103.6	0	0	0	112.4	K116 E117 I120 L136 K137 D138 R142 E143 Q144	K116-F140 HydrophobicContact CD-CD2 4.01Å; K116-F140 HydrophobicContact CD-CE2 3.95Å; K116-F140 HydrophobicContact CG-CD2 4.45Å; K116-F140 HydrophobicContact CG-CE2 4.34Å; E117-F140 HydrophobicContact CG-CE1 3.94Å; E117-F140 HydrophobicContact CG-CE2 4.17Å; E117-F140 HydrophobicContact CG-CZ 3.45Å; E117-F140 VanDerWaalsContact CG-CZ 3.45Å; E117-F140 VanDerWaalsContact OE1-CZ 3.3Å; E117-F140 WeakPolarHBondContact OE1-CZ 3.48Å; I120-F140 HydrophobicContact CD1-CB 4.05Å; I120-F140 HydrophobicContact CD1-CD2 4.02Å; I120-F140 HydrophobicContact CD1-CG 4.12Å; L136-F140 VanDerWaalsContact O-CB 3.28Å; L136-F140 WeakPolarHBondContact O-CB 3.31Å; L136-F140 PolarHBondContact O-N 3.35Å; K137-F140 WeakPolarHBondContact O-CB 3.37Å; K137-F140 PolarHBondContact O-N 3.08Å; D138-F140 VanDerWaalsContact C-N 3.26Å; D138-F140 PolarHBondContact O-N 3.45Å; F140-R142 VanDerWaalsContact C-N 3.31Å; F140-R142 PolarHBondContact O-N 3.13Å; F140-E143 PolarHBondContact O-N 3.32Å; F140-Q144 HydrophobicContact CD1-CG 4.19Å; F140-Q144 HydrophobicContact CD2-CG 4.32Å; F140-Q144 HydrophobicContact CE1-CG 3.77Å; F140-Q144 HydrophobicContact CE2-CG 3.93Å; F140-Q144 VanDerWaalsContact CE2-NE2 3.35Å; F140-Q144 HydrophobicContact CG-CG 4.45Å; F140-Q144 HydrophobicContact CZ-CG 3.62Å; F140-Q144 WeakPolarHBondContact O-CG 3.48Å; F140-Q144 PolarHBondContact O-N 3.08Å
141	L	50.2	Low	49.5	Very low	81 Å²	81	90 Å²	90	42%	0.424	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-36.4	-179.3	-71.3	175	0	0	0	112.1	K137 D138 E143 Q144 R145	K137-L141 WeakPolarHBondContact O-CB 3.49Å; K137-L141 WeakPolarHBondContact O-CG 3.5Å; K137-L141 PolarHBondContact O-N 3.28Å; D138-L141 PolarHBondContact O-N 3.01Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-E143 PolarHBondContact O-N 3.4Å; L141-Q144 PolarHBondContact O-N 3.05Å; L141-R145 VanDerWaalsContact O-CB 3.29Å; L141-R145 WeakPolarHBondContact O-CB 3.46Å; L141-R145 VanDerWaalsContact O-CG 3.26Å; L141-R145 WeakPolarHBondContact O-CG 3.27Å; L141-R145 PolarHBondContact O-N 3.46Å
142	R	54	Low	49.3	Very low	137 Å²	137	92 Å²	92	52%	0.517	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-38.3	173	-77.4	-174.9	-66.5	-106.9	0.5	112	D138 F140 K146	D138-R142 VanDerWaalsContact O-CB 3.26Å; D138-R142 WeakPolarHBondContact O-CB 3.42Å; D138-R142 VanDerWaalsContact O-CG 3.22Å; D138-R142 WeakPolarHBondContact O-CG 3.32Å; D138-R142 PolarHBondContact O-N 3.18Å; D138-R142 PolarHBondContact O-NE 3.28Å; F140-R142 VanDerWaalsContact C-N 3.31Å; F140-R142 PolarHBondContact O-N 3.13Å; R142-K146 VanDerWaalsContact O-CG 3.3Å; R142-K146 WeakPolarHBondContact O-CG 3.42Å; R142-K146 PolarHBondContact O-N 3.2Å
143	E	50.2	Low	49.4	Very low	58 Å²	58	99 Å²	99	27%	0.271	46%	0.457	S	S	.	.	H	α-helix	trans	-74.6	-36.7	178.3	-152.1	58.6	-150.9	0	0	112	A139 F140 L141 R147	A139-E143 PolarHBondContact O-N 2.75Å; A139-E143 VanDerWaalsContact O-N 3.13Å; F140-E143 PolarHBondContact O-N 3.32Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-E143 PolarHBondContact O-N 3.4Å; E143-R147 WeakPolarHBondContact O-CB 3.44Å; E143-R147 WeakPolarHBondContact O-CD 3.41Å; E143-R147 VanDerWaalsContact O-CG 3.23Å; E143-R147 WeakPolarHBondContact O-CG 3.48Å; E143-R147 IonicContact OE1-CZ 2.75Å; E143-R147 IonicContact OE1-NE 3.63Å; E143-R147 PolarHBondContact OE1-NE 2.93Å; E143-R147 IonicContact OE1-NH2 3.91Å; E143-R147 PolarHBondContact OE1-NH2 3.41Å
144	Q	44.5	Very low	49.5	Very low	35 Å²	35	101.3 Å²	101.3	16%	0.164	47%	0.468	C	S	.	.	H	α-helix	trans	-66.8	-47	174.5	-69.3	-58.8	-27	0	0	112.5	F140 L141 K146 R147 N148	F140-Q144 HydrophobicContact CD1-CG 4.19Å; F140-Q144 HydrophobicContact CD2-CG 4.32Å; F140-Q144 HydrophobicContact CE1-CG 3.77Å; F140-Q144 HydrophobicContact CE2-CG 3.93Å; F140-Q144 VanDerWaalsContact CE2-NE2 3.35Å; F140-Q144 HydrophobicContact CG-CG 4.45Å; F140-Q144 HydrophobicContact CZ-CG 3.62Å; F140-Q144 WeakPolarHBondContact O-CG 3.48Å; F140-Q144 PolarHBondContact O-N 3.08Å; L141-Q144 PolarHBondContact O-N 3.05Å; Q144-K146 PolarHBondContact O-N 2.98Å; Q144-R147 PolarHBondContact O-N 3.48Å; Q144-N148 PolarHBondContact O-N 3.41Å; Q144-N148 VanDerWaalsContact O-N 3.14Å; Q144-N148 PolarHBondContact OE1-ND2 3.18Å
145	R	45	Very low	49.3	Very low	213 Å²	213	104.9 Å²	104.9	80%	0.804	49%	0.485	S	S	*	.	H	α-helix	trans	-62.3	-27	178.9	-75.7	179.1	-176.8	-177.1	1.8	112.8	L141 R147	L141-R145 VanDerWaalsContact O-CB 3.29Å; L141-R145 WeakPolarHBondContact O-CB 3.46Å; L141-R145 VanDerWaalsContact O-CG 3.26Å; L141-R145 WeakPolarHBondContact O-CG 3.27Å; L141-R145 PolarHBondContact O-N 3.46Å; R145-R147 VanDerWaalsContact C-N 3.32Å
146	K	50.8	Low	49.2	Very low	150 Å²	150	105.1 Å²	105.1	65%	0.652	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-15	173.6	-76.3	176.3	-178	178.1	0	113.7	R142 Q144	R142-K146 VanDerWaalsContact O-CG 3.3Å; R142-K146 WeakPolarHBondContact O-CG 3.42Å; R142-K146 PolarHBondContact O-N 3.2Å; Q144-K146 PolarHBondContact O-N 2.98Å
147	R	47.5	Very low	48.9	Very low	69 Å²	69	103.5 Å²	103.5	26%	0.26	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-19.9	-159.9	-67.5	-178.7	-177.4	-136.3	1.4	116.1	E143 Q144 R145 R164 E168	E143-R147 WeakPolarHBondContact O-CB 3.44Å; E143-R147 WeakPolarHBondContact O-CD 3.41Å; E143-R147 VanDerWaalsContact O-CG 3.23Å; E143-R147 WeakPolarHBondContact O-CG 3.48Å; E143-R147 IonicContact OE1-CZ 2.75Å; E143-R147 IonicContact OE1-NE 3.63Å; E143-R147 PolarHBondContact OE1-NE 2.93Å; E143-R147 IonicContact OE1-NH2 3.91Å; E143-R147 PolarHBondContact OE1-NH2 3.41Å; Q144-R147 PolarHBondContact O-N 3.48Å; R145-R147 VanDerWaalsContact C-N 3.32Å; R147-R164 PolarHBondContact O-NH1 3.33Å; R147-R164 VanDerWaalsContact O-NH1 3.09Å; R147-E168 IonicContact CZ-OE1 3.09Å; R147-E168 IonicContact CZ-OE2 3.63Å; R147-E168 VanDerWaalsContact NH1-CD 3.32Å; R147-E168 IonicContact NH1-OE1 2.67Å; R147-E168 PolarHBondContact NH1-OE1 2.89Å; R147-E168 VanDerWaalsContact NH1-OE1 3.08Å; R147-E168 IonicContact NH1-OE2 3.08Å; R147-E168 PolarHBondContact NH1-OE2 3.44Å; R147-E168 IonicContact NH2-OE1 2.66Å; R147-E168 IonicContact NH2-OE2 3.99Å
148	N	39.5	Very low	48.6	Very low	94 Å²	94	103.4 Å²	103.4	50%	0.503	49%	0.486	S	S	.	.			trans	-112.5	97.5	-175.9	-78	-15.8	0	0	0	114.3	Q144	Q144-N148 PolarHBondContact O-N 3.41Å; Q144-N148 VanDerWaalsContact O-N 3.14Å; Q144-N148 PolarHBondContact OE1-ND2 3.18Å
149	T	42.7	Very low	48.5	Very low	146 Å²	146	108.9 Å²	108.9	90%	0.896	51%	0.508	S	S	*	.			trans	-120.4	13.8	161.2	45.4	0	0	0	0	113
150	M	45.5	Very low	48.4	Very low	92 Å²	92	112.8 Å²	112.8	45%	0.453	52%	0.515	S	S	.	.	S	Bend	trans	-107.1	135.2	-177.2	-74.5	-172.4	169.1	0	0	113.3	R152	M150-R152 PolarHBondContact O-N 3.39Å
151	R	45	Very low	48.4	Very low	230 Å²	230	114.4 Å²	114.4	87%	0.868	52%	0.524	S	S	*	.			trans	-70.6	89.8	178.7	-82.5	-174.5	169.3	-171.9	-2.6	111.6	N153	R151-N153 PolarHBondContact O-N 2.87Å
152	R	44.6	Very low	48.2	Very low	213 Å²	213	112.4 Å²	112.4	80%	0.804	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	27.7	-1	138.5	-92.7	-176.9	179.1	175.2	-1.7	126	M150	M150-R152 PolarHBondContact O-N 3.39Å
153	N	49.4	Very low	48.3	Very low	157 Å²	157	110.3 Å²	110.3	84%	0.84	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-163.5	12.3	176.3	-106.3	-19.2	0	0	0	118.8	R151	R151-N153 PolarHBondContact O-N 2.87Å
154	D	51.5	Low	48.4	Very low	65 Å²	65	112.9 Å²	112.9	35%	0.348	52%	0.523	S	S	.	.			trans	-96.7	141.1	177.4	80.2	70.1	0	0	0	112.3	A156 S157 M158 R160	D154-A156 PolarHBondContact O-N 2.99Å; D154-A156 VanDerWaalsContact O-N 3.11Å; D154-A156 VanDerWaalsContact OD1-C 3.28Å; D154-A156 VanDerWaalsContact OD1-CA 3.26Å; D154-A156 WeakPolarHBondContact OD1-CA 3.37Å; D154-A156 WeakPolarHBondContact OD1-CB 3.26Å; D154-A156 PolarHBondContact OD1-N 3.35Å; D154-S157 WeakPolarHBondContact O-CA 3.23Å; D154-S157 VanDerWaalsContact O-CB 3.28Å; D154-S157 WeakPolarHBondContact O-CB 3.3Å; D154-S157 PolarHBondContact O-N 2.88Å; D154-S157 PolarHBondContact OD1-N 2.87Å; D154-S157 PolarHBondContact OD1-OG 3.43Å; D154-S157 PolarHBondContact OD2-OG 3.49Å; D154-M158 PolarHBondContact O-N 3.33Å; D154-M158 VanDerWaalsContact O-N 3.13Å; D154-R160 IonicContact OD1-NH2 3.71Å; D154-R160 IonicContact OD2-NH2 3.77Å
155	Q	50	Low	48.7	Very low	177 Å²	177	115.9 Å²	115.9	83%	0.827	54%	0.539	S	S	*	.	H	α-helix	trans	-57.7	-25.9	-179.5	-166.9	175.6	5.9	0	0	112.6	M158 K159	Q155-M158 PolarHBondContact O-N 2.9Å; Q155-K159 WeakPolarHBondContact O-CB 3.29Å; Q155-K159 PolarHBondContact O-N 2.97Å
156	A	53.3	Low	48.8	Very low	53 Å²	53	110.1 Å²	110.1	44%	0.438	52%	0.522	S	S	.	.	H	α-helix	trans	-74.8	-30.7	174.4	0	0	0	0	0	112.2	D154 R160	D154-A156 PolarHBondContact O-N 2.99Å; D154-A156 VanDerWaalsContact O-N 3.11Å; D154-A156 VanDerWaalsContact OD1-C 3.28Å; D154-A156 VanDerWaalsContact OD1-CA 3.26Å; D154-A156 WeakPolarHBondContact OD1-CA 3.37Å; D154-A156 WeakPolarHBondContact OD1-CB 3.26Å; D154-A156 PolarHBondContact OD1-N 3.35Å; A156-R160 VanDerWaalsContact O-CB 3.26Å; A156-R160 WeakPolarHBondContact O-CB 3.01Å; A156-R160 WeakPolarHBondContact O-CG 3.48Å; A156-R160 PolarHBondContact O-N 3.09Å; A156-R160 PolarHBondContact O-NE 3.23Å
157	S	48.5	Very low	48.8	Very low	12 Å²	12	107.1 Å²	107.1	8%	0.084	51%	0.513	C	S	.	.	H	α-helix	trans	-68.3	-39.1	171.3	-69.7	0	0	0	0	110.3	D154 R160 L161	D154-S157 WeakPolarHBondContact O-CA 3.23Å; D154-S157 VanDerWaalsContact O-CB 3.28Å; D154-S157 WeakPolarHBondContact O-CB 3.3Å; D154-S157 PolarHBondContact O-N 2.88Å; D154-S157 PolarHBondContact OD1-N 2.87Å; D154-S157 PolarHBondContact OD1-OG 3.43Å; D154-S157 PolarHBondContact OD2-OG 3.49Å; S157-R160 PolarHBondContact O-N 3.26Å; S157-R160 PolarHBondContact OG-NH2 3.39Å; S157-L161 WeakPolarHBondContact O-CB 3.3Å; S157-L161 PolarHBondContact O-N 3.06Å
158	M	46.8	Very low	48.7	Very low	78 Å²	78	106.4 Å²	106.4	38%	0.384	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-46.4	171.1	-72.4	-64.1	-76.5	0	0	112.6	D108 D154 Q155 R160 L161 S162	D108-M158 HydrophobicContact CB-CE 3.68Å; D154-M158 PolarHBondContact O-N 3.33Å; D154-M158 VanDerWaalsContact O-N 3.13Å; Q155-M158 PolarHBondContact O-N 2.9Å; M158-R160 VanDerWaalsContact C-N 3.32Å; M158-R160 PolarHBondContact O-N 2.85Å; M158-L161 PolarHBondContact O-N 3.34Å; M158-S162 WeakPolarHBondContact O-CB 3.26Å; M158-S162 PolarHBondContact O-N 3.09Å
159	K	54.3	Low	48.9	Very low	168 Å²	168	104.9 Å²	104.9	73%	0.73	50%	0.504	S	S	*	.	H	α-helix	trans	-62.9	-39	175.7	-163.8	174.3	-176.5	177.9	0	111.6	Q155 L163	Q155-K159 WeakPolarHBondContact O-CB 3.29Å; Q155-K159 PolarHBondContact O-N 2.97Å; K159-L163 VanDerWaalsContact O-CB 3.28Å; K159-L163 WeakPolarHBondContact O-CB 3.15Å; K159-L163 PolarHBondContact O-N 2.67Å
160	R	54.6	Low	48.9	Very low	119 Å²	119	99.9 Å²	99.9	45%	0.449	48%	0.477	S	S	.	.	H	α-helix	trans	-64.1	-42.3	173.4	-80.6	-179.3	-73.4	-158	0.5	111.7	D154 A156 S157 M158 R164	D154-R160 IonicContact OD1-NH2 3.71Å; D154-R160 IonicContact OD2-NH2 3.77Å; A156-R160 VanDerWaalsContact O-CB 3.26Å; A156-R160 WeakPolarHBondContact O-CB 3.01Å; A156-R160 WeakPolarHBondContact O-CG 3.48Å; A156-R160 PolarHBondContact O-N 3.09Å; A156-R160 PolarHBondContact O-NE 3.23Å; S157-R160 PolarHBondContact O-N 3.26Å; S157-R160 PolarHBondContact OG-NH2 3.39Å; M158-R160 VanDerWaalsContact C-N 3.32Å; M158-R160 PolarHBondContact O-N 2.85Å; R160-R164 WeakPolarHBondContact O-CB 3.32Å; R160-R164 PolarHBondContact O-N 3.43Å
161	L	47.8	Very low	48.7	Very low	55 Å²	55	101.3 Å²	101.3	29%	0.288	49%	0.486	S	S	.	.	H	α-helix	trans	-65.8	-44	177.6	-124.3	104.7	0	0	0	111.7	A109 S157 M158 R164 L165	A109-L161 HydrophobicContact CB-CD2 3.19Å; S157-L161 WeakPolarHBondContact O-CB 3.3Å; S157-L161 PolarHBondContact O-N 3.06Å; M158-L161 PolarHBondContact O-N 3.34Å; L161-R164 WeakPolarHBondContact O-CB 3.4Å; L161-R164 PolarHBondContact O-N 3.35Å; L161-L165 WeakPolarHBondContact O-CG 3.48Å; L161-L165 PolarHBondContact O-N 3.21Å
162	S	47.8	Very low	48.3	Very low	40 Å²	40	93 Å²	93	28%	0.28	46%	0.459	S	S	.	.	H	α-helix	trans	-60.4	-49.2	175.1	179.6	0	0	0	0	111.7	M158 R164 L165 Q166	M158-S162 WeakPolarHBondContact O-CB 3.26Å; M158-S162 PolarHBondContact O-N 3.09Å; S162-R164 VanDerWaalsContact C-N 3.25Å; S162-R164 PolarHBondContact O-N 3.22Å; S162-L165 PolarHBondContact O-N 3.02Å; S162-Q166 WeakPolarHBondContact O-CG 3.48Å; S162-Q166 PolarHBondContact O-N 2.9Å
163	L	55	Low	47.9	Very low	93 Å²	93	86.7 Å²	86.7	49%	0.487	44%	0.44	S	S	.	.	H	α-helix	trans	-60.6	-36.9	175.3	-173.1	67.7	0	0	0	111.6	K159 Q166 N167	K159-L163 VanDerWaalsContact O-CB 3.28Å; K159-L163 WeakPolarHBondContact O-CB 3.15Å; K159-L163 PolarHBondContact O-N 2.67Å; L163-Q166 PolarHBondContact O-N 3.2Å; L163-N167 VanDerWaalsContact O-CB 3.32Å; L163-N167 WeakPolarHBondContact O-CB 3.39Å; L163-N167 PolarHBondContact O-N 3.31Å; L163-N167 PolarHBondContact O-ND2 2.66Å
164	R	52.5	Low	47.6	Very low	112 Å²	112	84.1 Å²	84.1	42%	0.423	43%	0.426	S	S	.	.	H	α-helix	trans	-69	-40.7	177.9	-164.7	174.9	-172	-172.1	2.9	111.7	R147 R160 L161 S162 N167 E168	R147-R164 PolarHBondContact O-NH1 3.33Å; R147-R164 VanDerWaalsContact O-NH1 3.09Å; R160-R164 WeakPolarHBondContact O-CB 3.32Å; R160-R164 PolarHBondContact O-N 3.43Å; L161-R164 WeakPolarHBondContact O-CB 3.4Å; L161-R164 PolarHBondContact O-N 3.35Å; S162-R164 VanDerWaalsContact C-N 3.25Å; S162-R164 PolarHBondContact O-N 3.22Å; R164-N167 PolarHBondContact O-N 2.85Å; R164-E168 WeakPolarHBondContact O-CB 3.46Å; R164-E168 WeakPolarHBondContact O-CG 3.43Å; R164-E168 PolarHBondContact O-N 2.86Å
165	L	49.9	Very low	46.8	Very low	97 Å²	97	81.5 Å²	81.5	51%	0.508	41%	0.414	S	S	.	.	H	α-helix	trans	-64	-43.3	172.9	-74.3	170.3	0	0	0	111.2	A109 L161 S162 N167 E168 L169	A109-L165 HydrophobicContact CB-CD1 4.35Å; L161-L165 WeakPolarHBondContact O-CG 3.48Å; L161-L165 PolarHBondContact O-N 3.21Å; S162-L165 PolarHBondContact O-N 3.02Å; L165-N167 PolarHBondContact O-N 3.22Å; L165-E168 PolarHBondContact O-N 3.32Å; L165-L169 WeakPolarHBondContact O-CB 3.5Å; L165-L169 PolarHBondContact O-N 3.14Å
166	Q	48.9	Very low	46.2	Very low	93 Å²	93	75.6 Å²	75.6	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-42.6	174.1	-72.1	177.2	-6.3	0	0	111.9	S162 L163 L169 A170	S162-Q166 WeakPolarHBondContact O-CG 3.48Å; S162-Q166 PolarHBondContact O-N 2.9Å; L163-Q166 PolarHBondContact O-N 3.2Å; Q166-L169 WeakPolarHBondContact O-CB 3.36Å; Q166-L169 PolarHBondContact O-N 3.09Å; Q166-A170 WeakPolarHBondContact O-CB 3.42Å; Q166-A170 PolarHBondContact O-N 3.32Å
167	N	50	Low	45.6	Very low	87 Å²	87	77.8 Å²	77.8	47%	0.465	40%	0.396	S	S	.	.	H	α-helix	trans	-66.6	-41.7	176.3	-74.7	-20.7	0	0	0	112.1	L163 R164 L165 L169 A170 L171	L163-N167 VanDerWaalsContact O-CB 3.32Å; L163-N167 WeakPolarHBondContact O-CB 3.39Å; L163-N167 PolarHBondContact O-N 3.31Å; L163-N167 PolarHBondContact O-ND2 2.66Å; R164-N167 PolarHBondContact O-N 2.85Å; L165-N167 PolarHBondContact O-N 3.22Å; N167-L169 VanDerWaalsContact C-N 3.32Å; N167-A170 PolarHBondContact O-N 2.86Å; N167-L171 WeakPolarHBondContact O-CB 3.32Å; N167-L171 VanDerWaalsContact O-CG 3.27Å; N167-L171 WeakPolarHBondContact O-CG 3.14Å; N167-L171 PolarHBondContact O-N 3.14Å
168	E	46	Very low	44.8	Very low	54 Å²	54	83.6 Å²	83.6	25%	0.252	43%	0.426	S	S	.	.	H	α-helix	trans	-64.5	-38.8	173.9	-74.9	-162.8	-171.1	0	0	111.1	R147 R164 L165 L171 I172	R147-E168 IonicContact CZ-OE1 3.09Å; R147-E168 IonicContact CZ-OE2 3.63Å; R147-E168 VanDerWaalsContact NH1-CD 3.32Å; R147-E168 IonicContact NH1-OE1 2.67Å; R147-E168 PolarHBondContact NH1-OE1 2.89Å; R147-E168 VanDerWaalsContact NH1-OE1 3.08Å; R147-E168 IonicContact NH1-OE2 3.08Å; R147-E168 PolarHBondContact NH1-OE2 3.44Å; R147-E168 IonicContact NH2-OE1 2.66Å; R147-E168 IonicContact NH2-OE2 3.99Å; R164-E168 WeakPolarHBondContact O-CB 3.46Å; R164-E168 WeakPolarHBondContact O-CG 3.43Å; R164-E168 PolarHBondContact O-N 2.86Å; L165-E168 PolarHBondContact O-N 3.32Å; E168-L171 PolarHBondContact O-N 2.96Å; E168-I172 WeakPolarHBondContact O-CD1 3.49Å; E168-I172 WeakPolarHBondContact O-CG1 3.28Å; E168-I172 PolarHBondContact O-N 3.21Å
169	L	42.6	Very low	44.2	Very low	61 Å²	61	88.2 Å²	88.2	32%	0.319	44%	0.44	S	S	.	.	H	α-helix	trans	-62.1	-45.3	173.1	-151.4	82.8	0	0	0	111.2	R93 L165 Q166 N167 L171 I172 L173	R93-L169 HydrophobicContact CB-CD1 4.49Å; R93-L169 HydrophobicContact CG-CD1 4.04Å; R93-L169 HydrophobicContact CG-CD2 4.33Å; L165-L169 WeakPolarHBondContact O-CB 3.5Å; L165-L169 PolarHBondContact O-N 3.14Å; Q166-L169 WeakPolarHBondContact O-CB 3.36Å; Q166-L169 PolarHBondContact O-N 3.09Å; N167-L169 VanDerWaalsContact C-N 3.32Å; L169-L171 PolarHBondContact O-N 2.95Å; L169-I172 WeakPolarHBondContact O-CB 3.38Å; L169-I172 PolarHBondContact O-N 2.93Å; L169-L173 HydrophobicContact CD2-CD1 4.47Å; L169-L173 HydrophobicContact CG-CD1 4.44Å; L169-L173 WeakPolarHBondContact O-CB 3.21Å; L169-L173 WeakPolarHBondContact O-CG 3.26Å; L169-L173 PolarHBondContact O-N 3.44Å
170	A	42.5	Very low	43.5	Very low	41 Å²	41	89.2 Å²	89.2	34%	0.339	44%	0.444	S	S	.	.	H	α-helix	trans	-64.1	-38.1	177.7	0	0	0	0	0	112.5	Q166 N167 L173 N174	Q166-A170 WeakPolarHBondContact O-CB 3.42Å; Q166-A170 PolarHBondContact O-N 3.32Å; N167-A170 PolarHBondContact O-N 2.86Å; A170-L173 PolarHBondContact O-N 2.84Å; A170-N174 WeakPolarHBondContact O-CB 3.2Å; A170-N174 PolarHBondContact O-N 3.38Å
171	L	42.4	Very low	42.7	Very low	122 Å²	122	86 Å²	86	64%	0.639	45%	0.448	S	S	*	.	H	α-helix	trans	-66	-38.1	173.9	-73.3	169.4	0	0	0	111.9	N167 E168 L169 A175	N167-L171 WeakPolarHBondContact O-CB 3.32Å; N167-L171 VanDerWaalsContact O-CG 3.27Å; N167-L171 WeakPolarHBondContact O-CG 3.14Å; N167-L171 PolarHBondContact O-N 3.14Å; E168-L171 PolarHBondContact O-N 2.96Å; L169-L171 PolarHBondContact O-N 2.95Å; L171-A175 WeakPolarHBondContact O-CB 3.26Å; L171-A175 PolarHBondContact O-N 3Å
172	I	36.5	Very low	42.2	Very low	57 Å²	57	87 Å²	87	29%	0.292	46%	0.464	S	S	.	.	H	α-helix	trans	-68.6	-36.5	174.3	-68.2	164.8	0	0	0	111	V89 E168 L169 N176	V89-I172 HydrophobicContact CG1-CG2 3.67Å; E168-I172 WeakPolarHBondContact O-CD1 3.49Å; E168-I172 WeakPolarHBondContact O-CG1 3.28Å; E168-I172 PolarHBondContact O-N 3.21Å; L169-I172 WeakPolarHBondContact O-CB 3.38Å; L169-I172 PolarHBondContact O-N 2.93Å; I172-N176 PolarHBondContact O-N 3.11Å; I172-N176 PolarHBondContact O-ND2 3.23Å
173	L	36.1	Very low	41.7	Very low	79 Å²	79	92.1 Å²	92.1	41%	0.414	49%	0.489	S	S	.	.	H	α-helix	trans	-69.4	-47.2	177	-71.8	168.2	0	0	0	111.6	L169 A170 A175 N176 T177	L169-L173 HydrophobicContact CD2-CD1 4.47Å; L169-L173 HydrophobicContact CG-CD1 4.44Å; L169-L173 WeakPolarHBondContact O-CB 3.21Å; L169-L173 WeakPolarHBondContact O-CG 3.26Å; L169-L173 PolarHBondContact O-N 3.44Å; A170-L173 PolarHBondContact O-N 2.84Å; L173-A175 VanDerWaalsContact C-N 3.27Å; L173-A175 PolarHBondContact O-N 2.85Å; L173-N176 WeakPolarHBondContact O-CB 3.28Å; L173-N176 PolarHBondContact O-N 2.98Å; L173-T177 PolarHBondContact O-N 2.89Å; L173-T177 PolarHBondContact O-OG1 2.66Å; L173-T177 VanDerWaalsContact O-OG1 3.06Å
174	N	41.9	Very low	40.7	Very low	103 Å²	103	94.4 Å²	94.4	55%	0.551	50%	0.501	S	S	*	.	H	α-helix	trans	-64	-30.2	177.9	-82.7	-20.4	0	0	0	113.4	A170 N176 T177 L178	A170-N174 WeakPolarHBondContact O-CB 3.2Å; A170-N174 PolarHBondContact O-N 3.38Å; N174-N176 VanDerWaalsContact C-N 3.3Å; N174-N176 PolarHBondContact O-N 3.13Å; N174-T177 WeakPolarHBondContact CA-OG1 3.41Å; N174-T177 PolarHBondContact O-OG1 3.22Å; N174-L178 PolarHBondContact O-N 3.18Å
175	A	36.5	Very low	39.8	Very low	11 Å²	11	95.3 Å²	95.3	9%	0.091	52%	0.52	C	S	.	.	H	α-helix	trans	-72.9	-22.8	174.7	0	0	0	0	0	113.1	L2 L171 L173 Y179	L2-A175 HydrophobicContact CB-CB 4.46Å; L2-A175 HydrophobicContact CD1-CB 3.56Å; L2-A175 HydrophobicContact CG-CB 3.51Å; L171-A175 WeakPolarHBondContact O-CB 3.26Å; L171-A175 PolarHBondContact O-N 3Å; L173-A175 VanDerWaalsContact C-N 3.27Å; L173-A175 PolarHBondContact O-N 2.85Å; A175-Y179 PolarHBondContact O-N 2.65Å
176	N	37.3	Very low	38.7	Very low	53 Å²	53	100.2 Å²	100.2	28%	0.283	54%	0.537	S	S	.	.	H	α-helix	trans	-83.3	-28.4	174	-83.4	-68.9	0	0	0	112.9	I172 L173 N174 Y179 K180	I172-N176 PolarHBondContact O-N 3.11Å; I172-N176 PolarHBondContact O-ND2 3.23Å; L173-N176 WeakPolarHBondContact O-CB 3.28Å; L173-N176 PolarHBondContact O-N 2.98Å; N174-N176 VanDerWaalsContact C-N 3.3Å; N174-N176 PolarHBondContact O-N 3.13Å; N176-Y179 PolarHBondContact O-N 3.48Å; N176-K180 PolarHBondContact O-N 2.84Å; N176-K180 VanDerWaalsContact O-N 3.17Å
177	T	39.2	Very low	37.8	Very low	98 Å²	98	103.7 Å²	103.7	60%	0.601	56%	0.557	S	S	*	*	H	α-helix	trans	-69.6	-33.4	170.8	2.3	0	0	0	0	111.9	L173 N174	L173-T177 PolarHBondContact O-N 2.89Å; L173-T177 PolarHBondContact O-OG1 2.66Å; L173-T177 VanDerWaalsContact O-OG1 3.06Å; N174-T177 WeakPolarHBondContact CA-OG1 3.41Å; N174-T177 PolarHBondContact O-OG1 3.22Å
178	L	33.4	Very low	37	Very low	135 Å²	135	105.7 Å²	105.7	71%	0.707	57%	0.572	S	S	*	*	H	α-helix	trans	-73.3	-27.9	174	-74	165.4	0	0	0	113.5	N174	N174-L178 PolarHBondContact O-N 3.18Å
179	Y	33.7	Very low	36	Very low	175 Å²	175	109.4 Å²	109.4	69%	0.686	60%	0.602	S	S	*	*	H	α-helix	trans	-85.2	-19.7	177.6	-112.5	-93.5	0	0	0	114	L2 A175 N176	L2-Y179 HydrophobicContact CD1-CD2 4.39Å; A175-Y179 PolarHBondContact O-N 2.65Å; N176-Y179 PolarHBondContact O-N 3.48Å
180	K	40	Very low	35.4	Very low	188 Å²	188	117.9 Å²	117.9	82%	0.817	63%	0.63	S	S	*	*	H	α-helix	trans	-87.7	-9.5	174.4	-74.3	-172.9	175.3	-173.9	0	114.4	N176	N176-K180 PolarHBondContact O-N 2.84Å; N176-K180 VanDerWaalsContact O-N 3.17Å
181	G	36.9	Very low	34.9	Very low	52 Å²	52	122 Å²	122	54%	0.536	65%	0.652	S	S	.	*	S	Bend	trans	-100.6	-6.3	174.7	0	0	0	0	0	115.5
182	A	36.5	Very low	34.3	Very low	75 Å²	75	126.3 Å²	126.3	62%	0.62	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-5.1	-171.6	0	0	0	0	0	115.1
183	N	37.9	Very low	34.3	Very low	149 Å²	149	135 Å²	135	80%	0.797	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	14.9	179.5	-82.6	-4.7	0	0	0	114.3
184	N	34.6	Very low	34.2	Very low	141 Å²	141	135.4 Å²	135.4	75%	0.754	71%	0.709	S	S	*	*	S	Bend	trans	-158.3	118	165.4	-104.1	-17.4	0	0	0	109.6
185	T	33	Very low	33.9	Very low	131 Å²	131	136.3 Å²	136.3	80%	0.804	72%	0.721	S	S	*	*			trans	94.2	119.5	157.1	-25.4	0	0	0	0	118
186	K	27.4	Very low	34.4	Very low	200 Å²	200	145.7 Å²	145.7	87%	0.87	76%	0.759	S	S	*	*			trans	-37.4	126	169.3	-74.8	168.2	168	173.2	0	113.9
187	I	30	Very low	34.8	Very low	166 Å²	166	150.6 Å²	150.6	85%	0.851	79%	0.786	S	S	*	*			trans	-137.9	118	151.2	-57	-176.7	0	0	0	110.1
188	T	32.1	Very low	35.4	Very low	129 Å²	129	155.3 Å²	155.3	79%	0.791	82%	0.823	S	S	*	*			trans	-63.5	134.3	172.3	40.3	0	0	0	0	112
189	C	25.4	Very low	35.5	Very low	131 Å²	131	156.4 Å²	156.4	89%	0.885	83%	0.829	S	S	*	*			trans	-78	118.5	176.4	-156.2	0	0	0	0	110.2
190	R	31	Very low	35.6	Very low	239 Å²	239	155.4 Å²	155.4	90%	0.902	84%	0.836	S	S	*	*			trans	-121.2	119.3	158.5	-88.2	-171.8	179.6	-177.2	1	109.3
191	T	31.6	Very low	35.3	Very low	129 Å²	129	153.6 Å²	153.6	79%	0.791	84%	0.837	S	S	*	*			trans	-36	131.1	173.5	47.1	0	0	0	0	115.6
192	F	29.7	Very low	35.3	Very low	212 Å²	212	159.5 Å²	159.5	93%	0.93	86%	0.855	S	S	*	*			trans	-107.5	118.2	154.2	-114.1	-94.2	0	0	0	108.6
193	R	35.4	Very low	35.2	Very low	239 Å²	239	164.8 Å²	164.8	90%	0.902	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-73.5	138.3	167.8	-83.7	-177.5	-177.4	-167.9	0.3	108.8
194	A	34.2	Very low	35	Very low	88 Å²	88	165.9 Å²	165.9	73%	0.727	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-65.3	155.3	171.5	0	0	0	0	0	111.6
195	P	35.2	Very low	35	Very low	122 Å²	122	167.6 Å²	167.6	79%	0.792	88%	0.883	S	S	*	*	P	Polyproline II helix	trans	-74.2	147.9	-174.8	30.8	-29.8	0	0	0	110.9
196	K	48.6	Very low	35.2	Very low	207 Å²	207	170.5 Å²	170.5	90%	0.9	89%	0.889	S	S	*	*	P	Polyproline II helix	trans	-98.7	131	166.4	-80.7	-170.8	174.2	-172.4	0	108.7
197	D	44.2	Very low	35.8	Very low	156 Å²	156	168 Å²	168	83%	0.834	89%	0.891	S	S	*	*	P	Polyproline II helix	trans	-59.4	142	176.3	-56.4	-53.8	0	0	0	112.8
198	S	52.4	Low	36.4	Very low	198 Å²	198	168.2 Å²	168.2	100%	1.385	90%	0.895	S	S	*	*			trans	-158.1	0	150.1	-58.9	0	0	0	0	107.4

Retrieved 198 of 198 residues in 984 ms (Link to these results)

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