A0A077ZLL4_TRITR Loading...

RNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZLL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	58.6	Low	73.9	Confident	108 Å²	108	89.4 Å²	89.4	53%	0.532	49%	0.485	S	S	.	.				0	-36.4	0	-81.3	-56.5	179.3	0	0	114.4	L3 L4 H5 D30 I31 A34	M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.31Å; M1-L4 PolarHBondContact O-N 3.34Å; M1-L4 HydrophobicContact SD-CD1 4Å; M1-H5 PolarHBondContact O-N 3.5Å; M1-H5 PolarHBondContact O-ND1 3.46Å; M1-D30 HydrophobicContact CE-CB 4.37Å; M1-I31 HydrophobicContact CE-CB 4.4Å; M1-I31 HydrophobicContact CE-CG1 3.83Å; M1-A34 HydrophobicContact CE-CB 3.87Å; M1-A34 HydrophobicContact CG-CB 3.96Å; M1-A34 HydrophobicContact SD-CB 3.89Å
2	Q	68.4	Low	74.9	Confident	170 Å²	170	91.4 Å²	91.4	79%	0.794	50%	0.502	S	S	*	.	H	α-helix	trans	-57.4	-38.6	178.5	-70.8	172.2	-14	0	0	113.3	L4 H5 A6	Q2-L4 VanDerWaalsContact C-N 3.34Å; Q2-L4 PolarHBondContact O-N 3.36Å; Q2-H5 PolarHBondContact O-N 2.95Å; Q2-A6 PolarHBondContact O-N 2.96Å
3	L	73.2	Confident	75.8	Confident	166 Å²	166	97.5 Å²	97.5	87%	0.869	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-36.1	177.2	-69.9	168.8	0	0	0	113.8	M1 H5	M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.31Å; L3-H5 VanDerWaalsContact C-N 3.33Å
4	L	73.6	Confident	76.5	Confident	23 Å²	23	90.7 Å²	90.7	12%	0.12	48%	0.478	C	S	.	.	H	α-helix	trans	-76.5	-21.9	179.2	-70.5	171.4	0	0	0	112.6	M1 Q2 P9 M14 I17 A18	M1-L4 PolarHBondContact O-N 3.34Å; M1-L4 HydrophobicContact SD-CD1 4Å; Q2-L4 VanDerWaalsContact C-N 3.34Å; Q2-L4 PolarHBondContact O-N 3.36Å; L4-P9 WeakPolarHBondContact O-CG 3.46Å; L4-M14 HydrophobicContact CB-CE 4.07Å; L4-I17 HydrophobicContact CD2-CB 3.85Å; L4-I17 HydrophobicContact CD2-CG2 3.47Å; L4-I17 VanDerWaalsContact CD2-CG2 3.47Å; L4-A18 HydrophobicContact CD1-CB 3.89Å; L4-A18 HydrophobicContact CD2-CB 4.22Å
5	H	73.8	Confident	77.3	Confident	17 Å²	17	87.3 Å²	87.3	8%	0.079	46%	0.457	C	S	.	.	H	α-helix	trans	-85.2	-8.5	177.4	-81.6	125.3	0	0	0	113.6	M1 Q2 L3 G7 H8 M14 Y38	M1-H5 PolarHBondContact O-N 3.5Å; M1-H5 PolarHBondContact O-ND1 3.46Å; Q2-H5 PolarHBondContact O-N 2.95Å; L3-H5 VanDerWaalsContact C-N 3.33Å; H5-G7 PolarHBondContact O-N 3.09Å; H5-G7 VanDerWaalsContact O-N 3.14Å; H5-H8 PolarHBondContact O-N 3.49Å; H5-H8 VanDerWaalsContact O-N 3.07Å; H5-M14 WeakPolarHBondContact CD2-CE 3.23Å; H5-M14 WeakPolarHBondContact NE2-CE 3.39Å; H5-Y38 AromaticContact CE1-CD2 3.93Å
6	A	72.5	Confident	78	Confident	76 Å²	76	86.8 Å²	86.8	63%	0.628	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	118.9	177.8	0	0	0	0	0	110.6	Q2 P9	Q2-A6 PolarHBondContact O-N 2.96Å; A6-P9 WeakPolarHBondContact O-CD 3.28Å
7	G	75.4	Confident	78.6	Confident	73 Å²	73	84.9 Å²	84.9	75%	0.753	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	11.6	-178.8	0	0	0	0	0	116.1	H5 P9	H5-G7 PolarHBondContact O-N 3.09Å; H5-G7 VanDerWaalsContact O-N 3.14Å; G7-P9 VanDerWaalsContact C-N 3.35Å
8	H	76.4	Confident	79	Confident	122 Å²	122	80.3 Å²	80.3	57%	0.565	43%	0.429	S	S	*	.			trans	46.6	46.2	-179.4	-61.7	-79.7	0	0	0	115.1	H5	H5-H8 PolarHBondContact O-N 3.49Å; H5-H8 VanDerWaalsContact O-N 3.07Å
9	P	76.9	Confident	79.5	Confident	21 Å²	21	84.2 Å²	84.2	14%	0.136	44%	0.437	C	S	.	.			trans	-63.1	142.7	176	26.8	-33	0	0	0	110.7	L4 A6 G7 R13 M14	L4-P9 WeakPolarHBondContact O-CG 3.46Å; A6-P9 WeakPolarHBondContact O-CD 3.28Å; G7-P9 VanDerWaalsContact C-N 3.35Å; P9-R13 HydrophobicContact CB-CB 3.93Å; P9-R13 HydrophobicContact CB-CG 3.76Å; P9-M14 HydrophobicContact CB-CG 4.25Å; P9-M14 HydrophobicContact CG-CG 3.66Å
10	R	79.9	Confident	79.8	Confident	147 Å²	147	84.3 Å²	84.3	56%	0.555	45%	0.445	S	S	*	.			trans	-56.9	155.6	171.3	-71.3	-177.1	179.7	-113.5	-0.9	110.7	V12 R13 M14 H46	R10-V12 PolarHBondContact O-N 2.94Å; R10-R13 WeakPolarHBondContact O-CA 3.46Å; R10-R13 WeakPolarHBondContact O-CB 3.36Å; R10-R13 PolarHBondContact O-N 3.34Å; R10-M14 PolarHBondContact O-N 3.42Å; R10-H46 PolarHBondContact NH1-CE1 3.5Å; R10-H46 PolarHBondContact NH1-NE2 3.26Å
11	I	84.2	Confident	80.1	Confident	60 Å²	60	89.2 Å²	89.2	31%	0.308	46%	0.459	S	S	.	.	H	α-helix	trans	-51.3	-37	-175.9	-167.2	167.3	0	0	0	114	R13 M14 K15 E32 V35	I11-R13 VanDerWaalsContact C-N 3.35Å; I11-R13 PolarHBondContact O-N 3.14Å; I11-M14 PolarHBondContact O-N 3.28Å; I11-K15 WeakPolarHBondContact O-CG 3.36Å; I11-K15 PolarHBondContact O-N 3.4Å; I11-E32 HydrophobicContact CD1-CB 4.48Å; I11-E32 HydrophobicContact CD1-CG 3.8Å; I11-V35 HydrophobicContact CD1-CB 4.36Å; I11-V35 HydrophobicContact CD1-CG1 4.39Å; I11-V35 HydrophobicContact CG1-CG2 4.37Å
12	V	85.7	Confident	81.1	Confident	114 Å²	114	86.4 Å²	86.4	69%	0.691	45%	0.445	S	S	*	.	H	α-helix	trans	-62.1	-43.1	177.6	179.4	0	0	0	0	111.3	R10 K15 S16	R10-V12 PolarHBondContact O-N 2.94Å; V12-K15 PolarHBondContact O-N 3.14Å; V12-S16 PolarHBondContact O-N 3.35Å
13	R	86.4	Confident	81.7	Confident	170 Å²	170	87 Å²	87	64%	0.642	45%	0.453	S	S	*	.	H	α-helix	trans	-70.8	-38.8	177.5	179.7	168.9	-178.9	162	2.2	111.2	P9 R10 I11 K15 S16 I17	P9-R13 HydrophobicContact CB-CB 3.93Å; P9-R13 HydrophobicContact CB-CG 3.76Å; R10-R13 WeakPolarHBondContact O-CA 3.46Å; R10-R13 WeakPolarHBondContact O-CB 3.36Å; R10-R13 PolarHBondContact O-N 3.34Å; I11-R13 VanDerWaalsContact C-N 3.35Å; I11-R13 PolarHBondContact O-N 3.14Å; R13-K15 VanDerWaalsContact C-N 3.34Å; R13-K15 PolarHBondContact O-N 3.11Å; R13-S16 PolarHBondContact O-N 3.33Å; R13-I17 HydrophobicContact CG-CD1 4.04Å; R13-I17 WeakPolarHBondContact O-CG1 3.39Å; R13-I17 PolarHBondContact O-N 3.48Å
14	M	86.5	Confident	82	Confident	3 Å²	3	85.6 Å²	85.6	2%	0.015	44%	0.436	C	S	.	.	H	α-helix	trans	-58.4	-44.8	173.1	-68.4	179.3	74	0	0	112.1	L4 H5 P9 R10 I11 I17 A18 I31 V35	L4-M14 HydrophobicContact CB-CE 4.07Å; H5-M14 WeakPolarHBondContact CD2-CE 3.23Å; H5-M14 WeakPolarHBondContact NE2-CE 3.39Å; P9-M14 HydrophobicContact CB-CG 4.25Å; P9-M14 HydrophobicContact CG-CG 3.66Å; R10-M14 PolarHBondContact O-N 3.42Å; I11-M14 PolarHBondContact O-N 3.28Å; M14-I17 PolarHBondContact O-N 3.34Å; M14-A18 WeakPolarHBondContact O-CB 3.28Å; M14-A18 PolarHBondContact O-N 3.32Å; M14-I31 HydrophobicContact CB-CG2 4.07Å; M14-V35 HydrophobicContact CE-CG2 3.71Å; M14-V35 HydrophobicContact SD-CG2 3.51Å; M14-V35 VanDerWaalsContact SD-CG2 3.51Å
15	K	88.7	Confident	82.4	Confident	39 Å²	39	90.3 Å²	90.3	17%	0.17	47%	0.468	C	S	.	.	H	α-helix	trans	-61.6	-43.2	174.9	-72.6	178.3	177.9	-176.7	0	112.2	I11 V12 R13 I17 A18 R19 I31 E32	I11-K15 WeakPolarHBondContact O-CG 3.36Å; I11-K15 PolarHBondContact O-N 3.4Å; V12-K15 PolarHBondContact O-N 3.14Å; R13-K15 VanDerWaalsContact C-N 3.34Å; R13-K15 PolarHBondContact O-N 3.11Å; K15-I17 PolarHBondContact O-N 3.08Å; K15-A18 PolarHBondContact O-N 3.4Å; K15-R19 WeakPolarHBondContact O-CB 3.28Å; K15-R19 VanDerWaalsContact O-CG 3.23Å; K15-R19 WeakPolarHBondContact O-CG 3.49Å; K15-R19 PolarHBondContact O-N 2.71Å; K15-I31 HydrophobicContact CG-CD1 4.18Å; K15-I31 HydrophobicContact CG-CG2 4.14Å; K15-E32 WeakPolarHBondContact CE-OE1 3.49Å; K15-E32 IonicContact NZ-OE1 3.64Å; K15-E32 PolarHBondContact NZ-OE1 2.94Å
16	S	88.5	Confident	82.9	Confident	80 Å²	80	98.7 Å²	98.7	56%	0.559	50%	0.499	S	S	*	.	H	α-helix	trans	-60.8	-43.7	177.5	-172	0	0	0	0	112.4	V12 R13 S20	V12-S16 PolarHBondContact O-N 3.35Å; R13-S16 PolarHBondContact O-N 3.33Å; S16-S20 PolarHBondContact O-N 2.95Å
17	I	87.1	Confident	83.4	Confident	55 Å²	55	95.7 Å²	95.7	28%	0.282	47%	0.474	S	S	.	.	H	α-helix	trans	-67.8	-43.6	177.6	-63.3	168.8	0	0	0	109.7	L4 R13 M14 K15 R19 S20 Y21	L4-I17 HydrophobicContact CD2-CB 3.85Å; L4-I17 HydrophobicContact CD2-CG2 3.47Å; L4-I17 VanDerWaalsContact CD2-CG2 3.47Å; R13-I17 HydrophobicContact CG-CD1 4.04Å; R13-I17 WeakPolarHBondContact O-CG1 3.39Å; R13-I17 PolarHBondContact O-N 3.48Å; M14-I17 PolarHBondContact O-N 3.34Å; K15-I17 PolarHBondContact O-N 3.08Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 PolarHBondContact O-N 3.05Å; I17-S20 PolarHBondContact O-N 3.18Å; I17-S20 VanDerWaalsContact O-N 3.11Å; I17-S20 PolarHBondContact O-OG 2.92Å; I17-Y21 HydrophobicContact CG2-CD2 3.94Å; I17-Y21 HydrophobicContact CG2-CE2 3.7Å; I17-Y21 WeakPolarHBondContact O-CD2 3.47Å; I17-Y21 PolarHBondContact O-N 2.84Å
18	A	87.1	Confident	84	Confident	2 Å²	2	94.5 Å²	94.5	2%	0.017	45%	0.451	C	S	.	.	H	α-helix	trans	-60.4	-43.1	178.7	0	0	0	0	0	112.2	L4 M14 K15 S20 Y21 I22 I31	L4-A18 HydrophobicContact CD1-CB 3.89Å; L4-A18 HydrophobicContact CD2-CB 4.22Å; M14-A18 WeakPolarHBondContact O-CB 3.28Å; M14-A18 PolarHBondContact O-N 3.32Å; K15-A18 PolarHBondContact O-N 3.4Å; A18-S20 PolarHBondContact O-N 2.62Å; A18-Y21 PolarHBondContact O-N 3.09Å; A18-Y21 VanDerWaalsContact O-N 3.09Å; A18-I22 WeakPolarHBondContact O-CB 3.35Å; A18-I22 PolarHBondContact O-N 3.46Å; A18-I31 HydrophobicContact CB-CD1 3.2Å; A18-I31 HydrophobicContact CB-CG1 4.26Å
19	R	87.1	Confident	84.5	Confident	154 Å²	154	95.1 Å²	95.1	58%	0.581	45%	0.452	S	S	*	.	H	α-helix	trans	-63.6	-21.8	177.2	-70.7	169.4	-176.6	-174.7	-5.4	113.6	K15 I17 D28	K15-R19 WeakPolarHBondContact O-CB 3.28Å; K15-R19 VanDerWaalsContact O-CG 3.23Å; K15-R19 WeakPolarHBondContact O-CG 3.49Å; K15-R19 PolarHBondContact O-N 2.71Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 PolarHBondContact O-N 3.05Å; R19-D28 IonicContact CZ-OD1 2.62Å; R19-D28 IonicContact CZ-OD2 3.39Å; R19-D28 IonicContact NE-OD1 2.71Å; R19-D28 PolarHBondContact NE-OD1 2.93Å; R19-D28 VanDerWaalsContact NE-OD1 3.09Å; R19-D28 IonicContact NE-OD2 3.69Å; R19-D28 IonicContact NH2-OD1 3.53Å; R19-D28 PolarHBondContact NH2-OD1 3.37Å; R19-D28 IonicContact NH2-OD2 3.09Å; R19-D28 PolarHBondContact NH2-OD2 3.28Å
20	S	86.7	Confident	84.9	Confident	86 Å²	86	97.1 Å²	97.1	60%	0.601	46%	0.461	S	S	*	.	H	α-helix	trans	-80.4	-22.4	174.7	68.5	0	0	0	0	113.5	S16 I17 A18	S16-S20 PolarHBondContact O-N 2.95Å; I17-S20 PolarHBondContact O-N 3.18Å; I17-S20 VanDerWaalsContact O-N 3.11Å; I17-S20 PolarHBondContact O-OG 2.92Å; A18-S20 PolarHBondContact O-N 2.62Å
21	Y	84.9	Confident	85.2	Confident	188 Å²	188	90.3 Å²	90.3	74%	0.737	44%	0.436	S	S	*	.	H	α-helix	trans	-105.6	-24.8	-179.5	-67.9	-72.5	0	0	0	113.4	I17 A18	I17-Y21 HydrophobicContact CG2-CD2 3.94Å; I17-Y21 HydrophobicContact CG2-CE2 3.7Å; I17-Y21 WeakPolarHBondContact O-CD2 3.47Å; I17-Y21 PolarHBondContact O-N 2.84Å; A18-Y21 PolarHBondContact O-N 3.09Å; A18-Y21 VanDerWaalsContact O-N 3.09Å
22	I	80.3	Confident	85.3	Confident	48 Å²	48	90.9 Å²	90.9	25%	0.246	44%	0.437	C	S	.	.			trans	-135.2	127.1	-164.7	-64.8	161.6	0	0	0	109.9	A18 W24 A27	A18-I22 WeakPolarHBondContact O-CB 3.35Å; A18-I22 PolarHBondContact O-N 3.46Å; I22-W24 HydrophobicContact CB-CE3 4.38Å; I22-W24 HydrophobicContact CB-CH2 4.45Å; I22-W24 HydrophobicContact CB-CZ3 4.26Å; I22-W24 HydrophobicContact CD1-CH2 3.58Å; I22-W24 HydrophobicContact CD1-CZ2 4.1Å; I22-W24 HydrophobicContact CD1-CZ3 4.06Å; I22-W24 HydrophobicContact CG1-CH2 3.99Å; I22-W24 HydrophobicContact CG1-CZ3 3.92Å; I22-W24 HydrophobicContact CG2-CB 4.48Å; I22-W24 HydrophobicContact CG2-CD2 3.17Å; I22-W24 HydrophobicContact CG2-CE3 3.11Å; I22-W24 HydrophobicContact CG2-CG 3.83Å; I22-W24 HydrophobicContact CG2-CH2 3.64Å; I22-W24 HydrophobicContact CG2-CZ2 3.75Å; I22-W24 HydrophobicContact CG2-CZ3 3.33Å; I22-A27 HydrophobicContact CG2-CB 4.35Å
23	L	80.1	Confident	85.3	Confident	183 Å²	183	91 Å²	91	96%	0.958	43%	0.43	S	S	*	.			trans	-121.7	65.8	174	-168.9	74.8	0	0	0	110.2
24	W	81.3	Confident	85.1	Confident	137 Å²	137	83.7 Å²	83.7	52%	0.519	41%	0.406	S	S	.	.			trans	-117	146.7	170.9	67.9	64.5	0	0	0	112.6	I22 R26 A27 D30	I22-W24 HydrophobicContact CB-CE3 4.38Å; I22-W24 HydrophobicContact CB-CH2 4.45Å; I22-W24 HydrophobicContact CB-CZ3 4.26Å; I22-W24 HydrophobicContact CD1-CH2 3.58Å; I22-W24 HydrophobicContact CD1-CZ2 4.1Å; I22-W24 HydrophobicContact CD1-CZ3 4.06Å; I22-W24 HydrophobicContact CG1-CH2 3.99Å; I22-W24 HydrophobicContact CG1-CZ3 3.92Å; I22-W24 HydrophobicContact CG2-CB 4.48Å; I22-W24 HydrophobicContact CG2-CD2 3.17Å; I22-W24 HydrophobicContact CG2-CE3 3.11Å; I22-W24 HydrophobicContact CG2-CG 3.83Å; I22-W24 HydrophobicContact CG2-CH2 3.64Å; I22-W24 HydrophobicContact CG2-CZ2 3.75Å; I22-W24 HydrophobicContact CG2-CZ3 3.33Å; W24-R26 PolarHBondContact O-N 3.23Å; W24-A27 HydrophobicContact CG-CB 4.4Å; W24-A27 PolarHBondContact O-N 3.25Å; W24-D30 PolarHBondContact NE1-OD2 3.38Å
25	P	80.4	Confident	84.8	Confident	121 Å²	121	84.6 Å²	84.6	79%	0.786	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	130.6	174.3	23.9	-32	0	0	0	109.7
26	R	84.7	Confident	84.4	Confident	193 Å²	193	89 Å²	89	73%	0.728	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	4.8	-179.2	-49.5	174.2	178.5	176.8	-0.1	117.6	W24 D28 K29 D30	W24-R26 PolarHBondContact O-N 3.23Å; R26-D28 PolarHBondContact O-N 3.18Å; R26-D28 VanDerWaalsContact O-N 3.14Å; R26-K29 PolarHBondContact O-N 3.5Å; R26-D30 PolarHBondContact O-N 3.3Å; R26-D30 VanDerWaalsContact O-N 3.14Å
27	A	84.3	Confident	83.9	Confident	13 Å²	13	93 Å²	93	11%	0.107	44%	0.443	C	S	.	.	H	α-helix	trans	-51.1	-41.6	176.3	0	0	0	0	0	113.5	I22 W24 K29 D30 I31	I22-A27 HydrophobicContact CG2-CB 4.35Å; W24-A27 HydrophobicContact CG-CB 4.4Å; W24-A27 PolarHBondContact O-N 3.25Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 3.39Å; A27-D30 PolarHBondContact O-N 3.18Å; A27-I31 WeakPolarHBondContact O-CD1 3.39Å; A27-I31 VanDerWaalsContact O-CG1 3.23Å; A27-I31 WeakPolarHBondContact O-CG1 3.31Å; A27-I31 PolarHBondContact O-N 3.41Å; A27-I31 VanDerWaalsContact O-N 3.09Å
28	D	86.3	Confident	83.1	Confident	49 Å²	49	95.3 Å²	95.3	26%	0.262	45%	0.449	S	S	.	.	H	α-helix	trans	-62.7	-36.8	178.1	-70.6	-29.7	0	0	0	113.2	R19 R26 I31 E32	R19-D28 IonicContact CZ-OD1 2.62Å; R19-D28 IonicContact CZ-OD2 3.39Å; R19-D28 IonicContact NE-OD1 2.71Å; R19-D28 PolarHBondContact NE-OD1 2.93Å; R19-D28 VanDerWaalsContact NE-OD1 3.09Å; R19-D28 IonicContact NE-OD2 3.69Å; R19-D28 IonicContact NH2-OD1 3.53Å; R19-D28 PolarHBondContact NH2-OD1 3.37Å; R19-D28 IonicContact NH2-OD2 3.09Å; R19-D28 PolarHBondContact NH2-OD2 3.28Å; R26-D28 PolarHBondContact O-N 3.18Å; R26-D28 VanDerWaalsContact O-N 3.14Å; D28-I31 PolarHBondContact O-N 3.39Å; D28-E32 WeakPolarHBondContact O-CG 3.44Å; D28-E32 PolarHBondContact O-N 3.46Å
29	K	87.7	Confident	82	Confident	135 Å²	135	98.5 Å²	98.5	59%	0.587	47%	0.471	S	S	*	.	H	α-helix	trans	-71.3	-38.7	178.8	-72.2	-170.1	175	-173.5	0	111.3	R26 A27 I31 E32 Q33	R26-K29 PolarHBondContact O-N 3.5Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 3.39Å; K29-I31 VanDerWaalsContact C-N 3.29Å; K29-I31 PolarHBondContact O-N 3.09Å; K29-E32 PolarHBondContact O-N 3.2Å; K29-Q33 WeakPolarHBondContact O-CG 3.49Å; K29-Q33 PolarHBondContact O-N 3.31Å
30	D	85.7	Confident	81	Confident	63 Å²	63	94.1 Å²	94.1	34%	0.337	46%	0.463	S	S	.	.	H	α-helix	trans	-64.8	-37.6	177	-57.6	-25	0	0	0	110.8	M1 W24 R26 A27 A34	M1-D30 HydrophobicContact CE-CB 4.37Å; W24-D30 PolarHBondContact NE1-OD2 3.38Å; R26-D30 PolarHBondContact O-N 3.3Å; R26-D30 VanDerWaalsContact O-N 3.14Å; A27-D30 PolarHBondContact O-N 3.18Å; D30-A34 VanDerWaalsContact O-CB 3.28Å; D30-A34 WeakPolarHBondContact O-CB 3.34Å; D30-A34 PolarHBondContact O-N 3.47Å
31	I	85.2	Confident	79.9	Confident	3 Å²	3	91.9 Å²	91.9	2%	0.015	45%	0.446	C	S	.	.	H	α-helix	trans	-66.4	-44.2	174.6	-63.8	160.6	0	0	0	110.9	M1 M14 K15 A18 A27 D28 K29 A34 V35	M1-I31 HydrophobicContact CE-CB 4.4Å; M1-I31 HydrophobicContact CE-CG1 3.83Å; M14-I31 HydrophobicContact CB-CG2 4.07Å; K15-I31 HydrophobicContact CG-CD1 4.18Å; K15-I31 HydrophobicContact CG-CG2 4.14Å; A18-I31 HydrophobicContact CB-CD1 3.2Å; A18-I31 HydrophobicContact CB-CG1 4.26Å; A27-I31 WeakPolarHBondContact O-CD1 3.39Å; A27-I31 VanDerWaalsContact O-CG1 3.23Å; A27-I31 WeakPolarHBondContact O-CG1 3.31Å; A27-I31 PolarHBondContact O-N 3.41Å; A27-I31 VanDerWaalsContact O-N 3.09Å; D28-I31 PolarHBondContact O-N 3.39Å; K29-I31 VanDerWaalsContact C-N 3.29Å; K29-I31 PolarHBondContact O-N 3.09Å; I31-A34 PolarHBondContact O-N 3.47Å; I31-V35 HydrophobicContact CG2-CG2 4.32Å; I31-V35 WeakPolarHBondContact O-CB 3.19Å; I31-V35 VanDerWaalsContact O-CG2 3.28Å; I31-V35 WeakPolarHBondContact O-CG2 3.45Å; I31-V35 PolarHBondContact O-N 3.06Å
32	E	87.1	Confident	78.9	Confident	72 Å²	72	88.9 Å²	88.9	34%	0.336	44%	0.439	S	S	.	.	H	α-helix	trans	-58.8	-47.4	176.1	-77.5	170.7	-172.2	0	0	111.9	I11 K15 D28 K29 A34 V35 Q36	I11-E32 HydrophobicContact CD1-CB 4.48Å; I11-E32 HydrophobicContact CD1-CG 3.8Å; K15-E32 WeakPolarHBondContact CE-OE1 3.49Å; K15-E32 IonicContact NZ-OE1 3.64Å; K15-E32 PolarHBondContact NZ-OE1 2.94Å; D28-E32 WeakPolarHBondContact O-CG 3.44Å; D28-E32 PolarHBondContact O-N 3.46Å; K29-E32 PolarHBondContact O-N 3.2Å; E32-A34 PolarHBondContact O-N 3.04Å; E32-V35 PolarHBondContact O-N 3.05Å; E32-Q36 WeakPolarHBondContact O-CB 3.39Å; E32-Q36 VanDerWaalsContact O-CG 3.28Å; E32-Q36 WeakPolarHBondContact O-CG 3.23Å; E32-Q36 PolarHBondContact O-N 3.46Å
33	Q	86	Confident	78.2	Confident	117 Å²	117	94 Å²	94	55%	0.547	46%	0.462	S	S	.	.	H	α-helix	trans	-63.2	-41.9	177.2	-73	-176.9	-15.8	0	0	111.9	K29 V35 Q36 Q37	K29-Q33 WeakPolarHBondContact O-CG 3.49Å; K29-Q33 PolarHBondContact O-N 3.31Å; Q33-V35 PolarHBondContact O-N 3.23Å; Q33-Q36 PolarHBondContact O-N 3.32Å; Q33-Q37 WeakPolarHBondContact O-CG 3.39Å; Q33-Q37 PolarHBondContact O-N 3.39Å; Q33-Q37 VanDerWaalsContact O-N 3.11Å
34	A	82.1	Confident	77.4	Confident	16 Å²	16	91.6 Å²	91.6	13%	0.132	45%	0.448	C	S	.	.	H	α-helix	trans	-64.3	-39.2	177.6	0	0	0	0	0	112.7	M1 D30 I31 E32 Y38	M1-A34 HydrophobicContact CE-CB 3.87Å; M1-A34 HydrophobicContact CG-CB 3.96Å; M1-A34 HydrophobicContact SD-CB 3.89Å; D30-A34 VanDerWaalsContact O-CB 3.28Å; D30-A34 WeakPolarHBondContact O-CB 3.34Å; D30-A34 PolarHBondContact O-N 3.47Å; I31-A34 PolarHBondContact O-N 3.47Å; E32-A34 PolarHBondContact O-N 3.04Å; A34-Y38 PolarHBondContact O-N 3.45Å
35	V	79.8	Confident	76.6	Confident	23 Å²	23	87.3 Å²	87.3	14%	0.139	45%	0.447	C	S	.	.	H	α-helix	trans	-70.7	-37.3	176.8	172.6	0	0	0	0	111.1	I11 M14 I31 E32 Q33 Q37 Y38	I11-V35 HydrophobicContact CD1-CB 4.36Å; I11-V35 HydrophobicContact CD1-CG1 4.39Å; I11-V35 HydrophobicContact CG1-CG2 4.37Å; M14-V35 HydrophobicContact CE-CG2 3.71Å; M14-V35 HydrophobicContact SD-CG2 3.51Å; M14-V35 VanDerWaalsContact SD-CG2 3.51Å; I31-V35 HydrophobicContact CG2-CG2 4.32Å; I31-V35 WeakPolarHBondContact O-CB 3.19Å; I31-V35 VanDerWaalsContact O-CG2 3.28Å; I31-V35 WeakPolarHBondContact O-CG2 3.45Å; I31-V35 PolarHBondContact O-N 3.06Å; E32-V35 PolarHBondContact O-N 3.05Å; Q33-V35 PolarHBondContact O-N 3.23Å; V35-Q37 VanDerWaalsContact C-N 3.3Å; V35-Q37 PolarHBondContact O-N 2.99Å; V35-Y38 PolarHBondContact O-N 2.88Å
36	Q	80	Confident	75.8	Confident	132 Å²	132	89 Å²	89	62%	0.617	44%	0.444	S	S	*	.	H	α-helix	trans	-65.1	-31.5	176.4	-75.9	175.4	10.2	0	0	113	E32 Q33 Y38 Q42	E32-Q36 WeakPolarHBondContact O-CB 3.39Å; E32-Q36 VanDerWaalsContact O-CG 3.28Å; E32-Q36 WeakPolarHBondContact O-CG 3.23Å; E32-Q36 PolarHBondContact O-N 3.46Å; Q33-Q36 PolarHBondContact O-N 3.32Å; Q36-Y38 VanDerWaalsContact C-N 3.34Å; Q36-Q42 PolarHBondContact O-NE2 2.9Å; Q36-Q42 VanDerWaalsContact O-NE2 3.08Å
37	Q	78	Confident	75	Confident	162 Å²	162	86.9 Å²	86.9	76%	0.757	45%	0.447	S	S	*	.	H	α-helix	trans	-77.7	-17.4	175.5	-70	175.5	-9.1	0	0	113.2	Q33 V35 S39	Q33-Q37 WeakPolarHBondContact O-CG 3.39Å; Q33-Q37 PolarHBondContact O-N 3.39Å; Q33-Q37 VanDerWaalsContact O-N 3.11Å; V35-Q37 VanDerWaalsContact C-N 3.3Å; V35-Q37 PolarHBondContact O-N 2.99Å; Q37-S39 PolarHBondContact O-N 3.35Å
38	Y	70.4	Confident	74.3	Confident	104 Å²	104	91.4 Å²	91.4	41%	0.408	48%	0.475	S	S	.	.			trans	-90.1	94.1	-176.5	-127.4	-98.3	0	0	0	111.8	H5 A34 V35 Q36 P40 C41	H5-Y38 AromaticContact CE1-CD2 3.93Å; A34-Y38 PolarHBondContact O-N 3.45Å; V35-Y38 PolarHBondContact O-N 2.88Å; Q36-Y38 VanDerWaalsContact C-N 3.34Å; Y38-P40 VanDerWaalsContact C-CD 3.45Å; Y38-P40 HydrophobicContact CD1-CG 4.3Å; Y38-P40 HydrophobicContact CE1-CG 4.49Å; Y38-C41 PolarHBondContact O-N 2.77Å
39	S	63.9	Low	73.5	Confident	70 Å²	70	95 Å²	95	49%	0.49	50%	0.501	S	S	.	.	H	α-helix	trans	-48.2	-44.7	-179.1	156.8	0	0	0	0	116.1	Q37 C41 Q42	Q37-S39 PolarHBondContact O-N 3.35Å; S39-C41 VanDerWaalsContact C-N 3.28Å; S39-C41 PolarHBondContact O-N 3.11Å; S39-Q42 PolarHBondContact O-N 3.44Å
40	P	66.5	Low	72.4	Confident	62 Å²	62	94.1 Å²	94.1	40%	0.403	51%	0.508	S	S	.	.	H	α-helix	trans	-63.3	-32.4	-176.2	-23.3	32.8	0	0	0	113.8	Y38 Q42 Q43	Y38-P40 VanDerWaalsContact C-CD 3.45Å; Y38-P40 HydrophobicContact CD1-CG 4.3Å; Y38-P40 HydrophobicContact CE1-CG 4.49Å; P40-Q42 VanDerWaalsContact C-N 3.3Å; P40-Q42 PolarHBondContact O-N 3.45Å; P40-Q43 PolarHBondContact O-N 3.14Å
41	C	63.1	Low	71.5	Confident	38 Å²	38	99.3 Å²	99.3	26%	0.257	53%	0.53	S	S	.	.	H	α-helix	trans	-73.5	-22.5	-178.5	-61.3	0	0	0	0	112.5	Y38 S39	Y38-C41 PolarHBondContact O-N 2.77Å; S39-C41 VanDerWaalsContact C-N 3.28Å; S39-C41 PolarHBondContact O-N 3.11Å
42	Q	63.2	Low	70.5	Confident	126 Å²	126	106.7 Å²	106.7	59%	0.589	57%	0.57	S	S	*	*	H	α-helix	trans	-78.7	-22.2	177.8	-68.1	-173.2	-18.8	0	0	113.1	Q36 S39 P40 I44	Q36-Q42 PolarHBondContact O-NE2 2.9Å; Q36-Q42 VanDerWaalsContact O-NE2 3.08Å; S39-Q42 PolarHBondContact O-N 3.44Å; P40-Q42 VanDerWaalsContact C-N 3.3Å; P40-Q42 PolarHBondContact O-N 3.45Å; Q42-I44 VanDerWaalsContact C-N 3.29Å; Q42-I44 PolarHBondContact O-N 3.07Å
43	Q	65.5	Low	69.6	Low	156 Å²	156	110.4 Å²	110.4	73%	0.729	59%	0.591	S	S	*	*	H	α-helix	trans	-72.2	-26	-179.2	-63.4	-179.5	6.9	0	0	112.2	P40 G45	P40-Q43 PolarHBondContact O-N 3.14Å; Q43-G45 VanDerWaalsContact C-N 3.27Å; Q43-G45 PolarHBondContact O-N 2.99Å
44	I	64.7	Low	69.1	Low	131 Å²	131	113.8 Å²	113.8	67%	0.672	60%	0.6	S	S	*	*	S	Bend	trans	-95.3	57.8	176.5	-44.5	174.9	0	0	0	108.7	Q42	Q42-I44 VanDerWaalsContact C-N 3.29Å; Q42-I44 PolarHBondContact O-N 3.07Å
45	G	63.2	Low	68.7	Low	48 Å²	48	123 Å²	123	50%	0.495	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-62.9	166.7	174.5	0	0	0	0	0	112.1	Q43 D47	Q43-G45 VanDerWaalsContact C-N 3.27Å; Q43-G45 PolarHBondContact O-N 2.99Å; G45-D47 PolarHBondContact O-N 3.18Å
46	H	64.9	Low	68.7	Low	156 Å²	156	127.9 Å²	127.9	72%	0.722	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-59.5	138.5	165.1	-82.6	-92	0	0	0	109.3	R10	R10-H46 PolarHBondContact NH1-CE1 3.5Å; R10-H46 PolarHBondContact NH1-NE2 3.26Å
47	D	68	Low	68.7	Low	149 Å²	149	124.9 Å²	124.9	80%	0.797	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-51.7	137.5	165.2	-65.1	-47.4	0	0	0	108.3	G45	G45-D47 PolarHBondContact O-N 3.18Å
48	P	69.5	Low	68.8	Low	107 Å²	107	122.4 Å²	122.4	70%	0.695	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-53.5	144.2	174.6	24.2	-32.7	0	0	0	108.6	T50	P48-T50 PolarHBondContact O-N 3.36Å
49	P	68.4	Low	69.1	Low	124 Å²	124	118.4 Å²	118.4	81%	0.805	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-50.8	125.1	176.3	20.8	-30.6	0	0	0	107.9	E51	P49-E51 PolarHBondContact O-N 2.86Å
50	T	65.7	Low	69.6	Low	118 Å²	118	123.9 Å²	123.9	72%	0.724	63%	0.634	S	S	*	*			trans	-47.5	109.2	-176.8	-51.1	0	0	0	0	108.3	P48 L53	P48-T50 PolarHBondContact O-N 3.36Å; T50-L53 HydrophobicContact CG2-CD2 4.17Å; T50-L53 HydrophobicContact CG2-CG 4.19Å
51	E	66.3	Low	69.7	Low	172 Å²	172	122.4 Å²	122.4	80%	0.804	63%	0.627	S	S	*	*			trans	-53.3	144	177.7	-172.7	171	-165.7	0	0	108.4	P49 L53	P49-E51 PolarHBondContact O-N 2.86Å; E51-L53 PolarHBondContact O-N 3.06Å
52	N	64.6	Low	70	Confident	158 Å²	158	122.9 Å²	122.9	85%	0.845	63%	0.629	S	S	*	*			trans	-47.2	103.4	179.1	-81.4	-28.2	0	0	0	109	Y54	N52-Y54 PolarHBondContact O-N 2.84Å
53	L	68.2	Low	70.1	Confident	150 Å²	150	118.3 Å²	118.3	79%	0.785	61%	0.607	S	S	*	*			trans	-58	110.8	-177.4	-67.3	173.5	0	0	0	106.9	T50 E51 R55	T50-L53 HydrophobicContact CG2-CD2 4.17Å; T50-L53 HydrophobicContact CG2-CG 4.19Å; E51-L53 PolarHBondContact O-N 3.06Å; L53-R55 PolarHBondContact O-N 2.75Å
54	Y	74.4	Confident	70.2	Confident	187 Å²	187	112.5 Å²	112.5	73%	0.733	58%	0.584	S	S	*	*			trans	-59.3	113.4	177	-179.2	-94.5	0	0	0	107.5	N52 W56	N52-Y54 PolarHBondContact O-N 2.84Å; Y54-W56 PolarHBondContact O-N 2.89Å
55	R	73.7	Confident	70.5	Confident	210 Å²	210	108.1 Å²	108.1	79%	0.792	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-68.9	122.4	178.6	-175.4	-178.7	-70.9	-178.4	-1.1	107.8	L53	L53-R55 PolarHBondContact O-N 2.75Å
56	W	79.9	Confident	70.9	Confident	126 Å²	126	106.3 Å²	106.3	48%	0.477	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-52.7	139.2	171.6	-70.2	102.8	0	0	0	111	Y54 L176 E178	Y54-W56 PolarHBondContact O-N 2.89Å; W56-L176 HydrophobicContact CZ3-CD1 4.21Å; W56-E178 WeakPolarHBondContact CZ2-OE1 3.2Å
57	P	80.5	Confident	71.2	Confident	69 Å²	69	102.7 Å²	102.7	45%	0.448	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-58.1	149.7	177.1	5.1	-3.8	0	0	0	110	R65	P57-R65 PolarHBondContact O-NH1 3.18Å; P57-R65 PolarHBondContact O-NH2 3.17Å
58	E	79.9	Confident	71.3	Confident	110 Å²	110	96.7 Å²	96.7	51%	0.514	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-63.1	148.5	178.3	-58.9	-171.9	-179.5	0	0	110.8	R86	E58-R86 VanDerWaalsContact CD-CZ 3.49Å; E58-R86 IonicContact OE1-CZ 3.15Å; E58-R86 IonicContact OE1-NH1 2.65Å; E58-R86 PolarHBondContact OE1-NH1 3.47Å; E58-R86 IonicContact OE1-NH2 2.88Å; E58-R86 PolarHBondContact OE1-NH2 2.97Å; E58-R86 IonicContact OE2-CZ 3.39Å; E58-R86 IonicContact OE2-NH1 3.15Å; E58-R86 PolarHBondContact OE2-NH1 3.25Å; E58-R86 VanDerWaalsContact OE2-NH1 3.15Å; E58-R86 IonicContact OE2-NH2 3.51Å
59	A	76.1	Confident	71.3	Confident	20 Å²	20	94.3 Å²	94.3	17%	0.165	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-74.4	130.9	172	0	0	0	0	0	108.6	A82 F83	A59-A82 HydrophobicContact CB-CB 3.9Å; A59-F83 HydrophobicContact CB-CB 4.02Å; A59-F83 HydrophobicContact CB-CD2 4.32Å; A59-F83 WeakPolarHBondContact O-CD2 3.26Å
60	E	75.2	Confident	71.1	Confident	184 Å²	184	94 Å²	94	86%	0.86	46%	0.455	S	S	*	.			trans	-86.9	-26.8	-173.4	-65.2	178.6	178.4	0	0	112.7	S64	E60-S64 PolarHBondContact N-OG 3.29Å
61	A	68.1	Low	70.8	Confident	31 Å²	31	93.8 Å²	93.8	26%	0.256	44%	0.444	S	S	.	.	S	Bend	trans	-145.6	157.2	-179.2	0	0	0	0	0	111.5	W63 S64 F83	A61-W63 PolarHBondContact O-N 3.07Å; A61-S64 PolarHBondContact N-OG 3.04Å; A61-S64 WeakPolarHBondContact O-CB 3.26Å; A61-S64 PolarHBondContact O-N 3.27Å; A61-S64 PolarHBondContact O-OG 3.17Å; A61-F83 VanDerWaalsContact C-CD2 3.43Å; A61-F83 VanDerWaalsContact C-CG 3.47Å; A61-F83 WeakPolarHBondContact O-CB 3.3Å
62	P	69.5	Low	70.4	Confident	48 Å²	48	94.5 Å²	94.5	31%	0.312	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	136.3	168.2	-22.3	30.8	0	0	0	110.8	S64 D81 F83	P62-S64 PolarHBondContact O-N 2.75Å; P62-S64 VanDerWaalsContact O-N 3.13Å; P62-D81 WeakPolarHBondContact CA-OD2 3.47Å; P62-F83 HydrophobicContact CB-CD1 4.1Å; P62-F83 HydrophobicContact CG-CD1 3.54Å; P62-F83 HydrophobicContact CG-CE1 3.62Å; P62-F83 HydrophobicContact CG-CG 4.27Å; P62-F83 HydrophobicContact CG-CZ 4.39Å
63	W	65.6	Low	69.9	Low	31 Å²	31	93 Å²	93	12%	0.117	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	9.4	-179	-49.6	102.2	0	0	0	115.9	A61 R65 I66 D81 F96 M154	A61-W63 PolarHBondContact O-N 3.07Å; W63-R65 VanDerWaalsContact C-N 3.29Å; W63-R65 PolarHBondContact O-N 3.45Å; W63-I66 HydrophobicContact CE3-CD1 3.66Å; W63-I66 HydrophobicContact CE3-CG1 4.02Å; W63-I66 HydrophobicContact CZ3-CD1 4.22Å; W63-D81 WeakPolarHBondContact CA-OD1 3.47Å; W63-D81 HydrophobicContact CE3-CB 4.24Å; W63-D81 HydrophobicContact CZ3-CB 4.34Å; W63-D81 PolarHBondContact N-OD1 2.65Å; W63-D81 PolarHBondContact N-OD2 3.1Å; W63-F96 HydrophobicContact CZ2-CE2 4.47Å; W63-F96 HydrophobicContact CZ2-CZ 4.32Å; W63-M154 HydrophobicContact CD2-CE 3.84Å; W63-M154 HydrophobicContact CE3-CE 3.31Å; W63-M154 HydrophobicContact CH2-CE 3.27Å; W63-M154 HydrophobicContact CZ2-CE 3.8Å; W63-M154 HydrophobicContact CZ3-CE 3.02Å
64	S	67.8	Low	68.9	Low	34 Å²	34	92.9 Å²	92.9	24%	0.238	43%	0.431	C	S	.	.	S	Bend	trans	-68.9	-29.9	174	60.8	0	0	0	0	112.4	E60 A61 P62	E60-S64 PolarHBondContact N-OG 3.29Å; A61-S64 PolarHBondContact N-OG 3.04Å; A61-S64 WeakPolarHBondContact O-CB 3.26Å; A61-S64 PolarHBondContact O-N 3.27Å; A61-S64 PolarHBondContact O-OG 3.17Å; P62-S64 PolarHBondContact O-N 2.75Å; P62-S64 VanDerWaalsContact O-N 3.13Å
65	R	71.6	Confident	68	Low	38 Å²	38	90.4 Å²	90.4	14%	0.143	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	123.7	175.7	-174.4	-178.4	-55.7	154.7	13.1	110.7	P57 W63 A82	P57-R65 PolarHBondContact O-NH1 3.18Å; P57-R65 PolarHBondContact O-NH2 3.17Å; W63-R65 VanDerWaalsContact C-N 3.29Å; W63-R65 PolarHBondContact O-N 3.45Å; R65-A82 HydrophobicContact CB-CB 3.93Å; R65-A82 HydrophobicContact CG-CB 4.21Å; R65-A82 VanDerWaalsContact O-CB 3.26Å; R65-A82 WeakPolarHBondContact O-CB 3.22Å; R65-A82 PolarHBondContact O-N 3.14Å
66	I	71.1	Confident	66.9	Low	11 Å²	11	84.7 Å²	84.7	6%	0.056	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129	-179.1	-56.5	176.3	0	0	0	108.7	W63 V68 V79 V80 V173	W63-I66 HydrophobicContact CE3-CD1 3.66Å; W63-I66 HydrophobicContact CE3-CG1 4.02Å; W63-I66 HydrophobicContact CZ3-CD1 4.22Å; I66-V68 HydrophobicContact CG2-CG2 4.08Å; I66-V79 HydrophobicContact CG2-CG1 3.28Å; I66-V80 WeakPolarHBondContact CA-O 3.32Å; I66-V173 HydrophobicContact CD1-CG1 3.49Å; I66-V173 VanDerWaalsContact CD1-CG1 3.49Å; I66-V173 HydrophobicContact CG1-CG1 4.18Å
67	H	71	Confident	66	Low	79 Å²	79	79.7 Å²	79.7	37%	0.366	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.3	171.1	-64.5	-81	0	0	0	109	V79 V80	H67-V79 WeakPolarHBondContact O-CA 3.49Å; H67-V80 PolarHBondContact N-O 2.96Å; H67-V80 PolarHBondContact O-N 3.47Å
68	V	70.2	Confident	65.3	Low	24 Å²	24	80.1 Å²	80.1	15%	0.145	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.1	177.2	-175.7	0	0	0	0	108.6	I66 Y70 V77 I78 V79 V175	I66-V68 HydrophobicContact CG2-CG2 4.08Å; V68-Y70 HydrophobicContact CG1-CE2 4.23Å; V68-V77 HydrophobicContact CG1-CG1 3.49Å; V68-V77 VanDerWaalsContact CG1-CG1 3.49Å; V68-I78 VanDerWaalsContact CA-O 3.3Å; V68-I78 WeakPolarHBondContact CA-O 3.41Å; V68-V79 HydrophobicContact CG2-CG1 4.46Å; V68-V79 HydrophobicContact CG2-CG2 4.36Å; V68-V175 HydrophobicContact CG2-CG1 3.99Å
69	D	69.6	Low	64.7	Low	57 Å²	57	77.1 Å²	77.1	31%	0.305	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.9	172.9	-165.9	19.2	0	0	0	110.8	I78 R180	D69-I78 PolarHBondContact N-O 3.34Å; D69-I78 PolarHBondContact O-N 3.38Å; D69-R180 IonicContact OD1-NE 3.53Å; D69-R180 IonicContact OD1-NH2 3.89Å; D69-R180 IonicContact OD2-CZ 2.75Å; D69-R180 IonicContact OD2-NE 3.54Å; D69-R180 IonicContact OD2-NH2 3.84Å; D69-R180 PolarHBondContact OD2-NH2 3.25Å
70	Y	64.7	Low	64.3	Low	118 Å²	118	79.4 Å²	79.4	46%	0.463	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.5	177.7	-70.4	-91	0	0	0	109.1	V68 V77	V68-Y70 HydrophobicContact CG1-CE2 4.23Å; Y70-V77 HydrophobicContact CD1-CG2 3.75Å; Y70-V77 HydrophobicContact CE1-CB 4.36Å; Y70-V77 HydrophobicContact CE1-CG1 4.21Å; Y70-V77 HydrophobicContact CE1-CG2 3.38Å
71	F	58.3	Low	64.2	Low	112 Å²	112	70.8 Å²	70.8	49%	0.491	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.8	169.2	-165.5	-105.2	0	0	0	109.1	F76	F71-F76 PolarHBondContact N-O 3.38Å
72	R	58.4	Low	64.3	Low	188 Å²	188	70.6 Å²	70.6	71%	0.709	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	144.4	167.2	-61	-171.2	-163.7	177.3	6.6	106.9
73	P	55	Low	64.2	Low	126 Å²	126	72.3 Å²	72.3	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	cis	-97.1	-9.6	29.8	34.3	-36.2	0	0	0	116.5
74	K	46.3	Very low	63.9	Low	147 Å²	147	73.1 Å²	73.1	64%	0.639	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	125.4	171.4	-67.2	178.9	177.7	179.8	0	107.7	F76	K74-F76 VanDerWaalsContact C-N 3.29Å; K74-F76 HydrophobicContact CB-CD2 3.6Å; K74-F76 HydrophobicContact CB-CE2 3.21Å; K74-F76 HydrophobicContact CB-CZ 4.1Å; K74-F76 HydrophobicContact CD-CE2 3.66Å; K74-F76 HydrophobicContact CD-CZ 4.14Å; K74-F76 HydrophobicContact CG-CE2 4.06Å; K74-F76 VanDerWaalsContact O-CD2 3.32Å; K74-F76 WeakPolarHBondContact O-CD2 3.24Å; K74-F76 PolarHBondContact O-N 3.37Å
75	M	55.2	Low	63.5	Low	136 Å²	136	80.7 Å²	80.7	67%	0.67	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	79.4	-175.5	-67.4	-70	-70.4	0	0	111.8
76	F	51.6	Low	62.4	Low	90 Å²	90	86.9 Å²	86.9	40%	0.395	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.4	170	-60.8	-81.9	0	0	0	109.5	F71 K74 I108	F71-F76 PolarHBondContact N-O 3.38Å; K74-F76 VanDerWaalsContact C-N 3.29Å; K74-F76 HydrophobicContact CB-CD2 3.6Å; K74-F76 HydrophobicContact CB-CE2 3.21Å; K74-F76 HydrophobicContact CB-CZ 4.1Å; K74-F76 HydrophobicContact CD-CE2 3.66Å; K74-F76 HydrophobicContact CD-CZ 4.14Å; K74-F76 HydrophobicContact CG-CE2 4.06Å; K74-F76 VanDerWaalsContact O-CD2 3.32Å; K74-F76 WeakPolarHBondContact O-CD2 3.24Å; K74-F76 PolarHBondContact O-N 3.37Å; F76-I108 HydrophobicContact CB-CD1 4.07Å; F76-I108 HydrophobicContact CD1-CD1 3.63Å; F76-I108 HydrophobicContact CD1-CG2 4.3Å; F76-I108 HydrophobicContact CG-CD1 4.32Å
77	V	60.9	Low	61.1	Low	20 Å²	20	89.7 Å²	89.7	12%	0.121	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.2	168.9	-172.9	0	0	0	0	107.1	V68 Y70 V79 V104 F107	V68-V77 HydrophobicContact CG1-CG1 3.49Å; V68-V77 VanDerWaalsContact CG1-CG1 3.49Å; Y70-V77 HydrophobicContact CD1-CG2 3.75Å; Y70-V77 HydrophobicContact CE1-CB 4.36Å; Y70-V77 HydrophobicContact CE1-CG1 4.21Å; Y70-V77 HydrophobicContact CE1-CG2 3.38Å; V77-V79 HydrophobicContact CG1-CG2 4.04Å; V77-V104 WeakPolarHBondContact O-CG1 3.26Å; V77-F107 HydrophobicContact CB-CE1 4.4Å; V77-F107 HydrophobicContact CG2-CE1 4.29Å
78	I	65.6	Low	59.6	Low	78 Å²	78	97.7 Å²	97.7	40%	0.4	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.8	177.4	-57.5	175.7	0	0	0	106.8	V68 D69 V80	V68-I78 VanDerWaalsContact CA-O 3.3Å; V68-I78 WeakPolarHBondContact CA-O 3.41Å; D69-I78 PolarHBondContact N-O 3.34Å; D69-I78 PolarHBondContact O-N 3.38Å; I78-V80 HydrophobicContact CG2-CG2 3.87Å
79	V	66.8	Low	58.3	Low	48 Å²	48	99.5 Å²	99.5	29%	0.291	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.2	178.6	-175.2	0	0	0	0	108	I66 H67 V68 V77 V104	I66-V79 HydrophobicContact CG2-CG1 3.28Å; H67-V79 WeakPolarHBondContact O-CA 3.49Å; V68-V79 HydrophobicContact CG2-CG1 4.46Å; V68-V79 HydrophobicContact CG2-CG2 4.36Å; V77-V79 HydrophobicContact CG1-CG2 4.04Å; V79-V104 HydrophobicContact CB-CG2 4.47Å
80	V	68.2	Low	56.9	Low	68 Å²	68	105.7 Å²	105.7	41%	0.412	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.5	-178.9	-176.4	0	0	0	0	109.6	I66 H67 I78	I66-V80 WeakPolarHBondContact CA-O 3.32Å; H67-V80 PolarHBondContact N-O 2.96Å; H67-V80 PolarHBondContact O-N 3.47Å; I78-V80 HydrophobicContact CG2-CG2 3.87Å
81	D	72.8	Confident	56	Low	3 Å²	3	107.7 Å²	107.7	2%	0.016	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130	169.6	-178.3	25.1	0	0	0	110.4	P62 W63 F83 S84 F96	P62-D81 WeakPolarHBondContact CA-OD2 3.47Å; W63-D81 WeakPolarHBondContact CA-OD1 3.47Å; W63-D81 HydrophobicContact CE3-CB 4.24Å; W63-D81 HydrophobicContact CZ3-CB 4.34Å; W63-D81 PolarHBondContact N-OD1 2.65Å; W63-D81 PolarHBondContact N-OD2 3.1Å; D81-F83 VanDerWaalsContact C-N 3.26Å; D81-F83 PolarHBondContact O-N 2.99Å; D81-F83 PolarHBondContact OD1-N 2.64Å; D81-S84 PolarHBondContact O-OG 2.88Å; D81-S84 VanDerWaalsContact O-OG 3.07Å; D81-F96 HydrophobicContact CB-CZ 4.34Å
82	A	70.2	Confident	55.1	Low	27 Å²	27	107.4 Å²	107.4	22%	0.223	55%	0.553	C	S	.	*	S	Bend	trans	-69	-26.2	-179.4	0	0	0	0	0	112.5	A59 R65	A59-A82 HydrophobicContact CB-CB 3.9Å; R65-A82 HydrophobicContact CB-CB 3.93Å; R65-A82 HydrophobicContact CG-CB 4.21Å; R65-A82 VanDerWaalsContact O-CB 3.26Å; R65-A82 WeakPolarHBondContact O-CB 3.22Å; R65-A82 PolarHBondContact O-N 3.14Å
83	F	67.9	Low	54.3	Low	83 Å²	83	101.6 Å²	101.6	36%	0.364	55%	0.545	S	S	.	.	S	Bend	trans	-75	-38.5	-178.4	-172.1	-94	0	0	0	112.5	A59 A61 P62 D81 K85 R86	A59-F83 HydrophobicContact CB-CB 4.02Å; A59-F83 HydrophobicContact CB-CD2 4.32Å; A59-F83 WeakPolarHBondContact O-CD2 3.26Å; A61-F83 VanDerWaalsContact C-CD2 3.43Å; A61-F83 VanDerWaalsContact C-CG 3.47Å; A61-F83 WeakPolarHBondContact O-CB 3.3Å; P62-F83 HydrophobicContact CB-CD1 4.1Å; P62-F83 HydrophobicContact CG-CD1 3.54Å; P62-F83 HydrophobicContact CG-CE1 3.62Å; P62-F83 HydrophobicContact CG-CG 4.27Å; P62-F83 HydrophobicContact CG-CZ 4.39Å; D81-F83 VanDerWaalsContact C-N 3.26Å; D81-F83 PolarHBondContact O-N 2.99Å; D81-F83 PolarHBondContact OD1-N 2.64Å; F83-K85 PolarHBondContact O-N 2.81Å; F83-K85 VanDerWaalsContact O-N 3.09Å; F83-R86 PolarHBondContact O-N 3.15Å; F83-R86 VanDerWaalsContact O-N 3.15Å
84	S	59.8	Low	53.5	Low	49 Å²	49	102.1 Å²	102.1	34%	0.343	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-66.4	-15.8	-173.9	69.2	0	0	0	0	114.4	D81 R86 F96	D81-S84 PolarHBondContact O-OG 2.88Å; D81-S84 VanDerWaalsContact O-OG 3.07Å; S84-R86 PolarHBondContact O-N 3.19Å; S84-F96 WeakPolarHBondContact OG-CE1 3.44Å
85	K	58.6	Low	53	Low	192 Å²	192	105.6 Å²	105.6	84%	0.835	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-74.4	-10.8	177.6	-163	172.6	179.5	178.9	0	113	F83	F83-K85 PolarHBondContact O-N 2.81Å; F83-K85 VanDerWaalsContact O-N 3.09Å
86	R	48.2	Very low	52	Low	169 Å²	169	102.2 Å²	102.2	64%	0.638	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-128.9	50.1	-170.4	-154.8	174.3	-180	170.6	-15.3	113.8	E58 F83 S84	E58-R86 VanDerWaalsContact CD-CZ 3.49Å; E58-R86 IonicContact OE1-CZ 3.15Å; E58-R86 IonicContact OE1-NH1 2.65Å; E58-R86 PolarHBondContact OE1-NH1 3.47Å; E58-R86 IonicContact OE1-NH2 2.88Å; E58-R86 PolarHBondContact OE1-NH2 2.97Å; E58-R86 IonicContact OE2-CZ 3.39Å; E58-R86 IonicContact OE2-NH1 3.15Å; E58-R86 PolarHBondContact OE2-NH1 3.25Å; E58-R86 VanDerWaalsContact OE2-NH1 3.15Å; E58-R86 IonicContact OE2-NH2 3.51Å; F83-R86 PolarHBondContact O-N 3.15Å; F83-R86 VanDerWaalsContact O-N 3.15Å; S84-R86 PolarHBondContact O-N 3.19Å
87	G	43.3	Very low	51.4	Low	69 Å²	69	101.2 Å²	101.2	71%	0.711	53%	0.533	S	S	*	.			trans	-78.6	114.2	159.4	0	0	0	0	0	109.9	G89	G87-G89 PolarHBondContact O-N 2.88Å
88	R	39.4	Very low	50.5	Low	247 Å²	247	107.3 Å²	107.3	93%	0.932	56%	0.56	S	S	*	*			trans	-54	131.9	158.9	-84.1	176.7	-85.4	-167.4	-6.5	108.2
89	G	44.5	Very low	49.6	Very low	63 Å²	63	105.1 Å²	105.1	65%	0.649	56%	0.557	S	S	*	*	S	Bend	trans	46.8	99.6	156.1	0	0	0	0	0	116.8	G87	G87-G89 PolarHBondContact O-N 2.88Å
90	E	40.4	Very low	48.7	Very low	186 Å²	186	104.1 Å²	104.1	87%	0.869	55%	0.552	S	S	*	*	S	Bend	trans	69.6	130.2	144.1	-55.3	173.9	162.6	0	0	115.8
91	D	43.9	Very low	47.5	Very low	161 Å²	161	106.8 Å²	106.8	86%	0.861	56%	0.559	S	S	*	*	S	Bend	trans	87.3	1	166.5	-57.6	-15.5	0	0	0	123.1
92	C	41.3	Very low	46.4	Very low	106 Å²	106	112 Å²	112	72%	0.716	59%	0.586	S	S	*	*	S	Bend	trans	-112.6	-9	174.9	-86.7	0	0	0	0	117
93	A	40.9	Very low	45.7	Very low	66 Å²	66	113.1 Å²	113.1	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-68.7	-46.5	-173.4	0	0	0	0	0	113	R95 F96 V97	A93-R95 PolarHBondContact O-N 2.96Å; A93-F96 PolarHBondContact O-N 2.85Å; A93-V97 WeakPolarHBondContact O-CB 3.34Å; A93-V97 WeakPolarHBondContact O-CG2 3.19Å; A93-V97 PolarHBondContact O-N 2.8Å
94	D	36.9	Very low	45	Very low	137 Å²	137	110.8 Å²	110.8	73%	0.733	58%	0.581	S	S	*	*	H	α-helix	trans	-69.7	-40.9	-168.3	-75.8	-17.7	0	0	0	114	Q98	D94-Q98 WeakPolarHBondContact O-CB 3.46Å; D94-Q98 PolarHBondContact O-N 3.05Å; D94-Q98 VanDerWaalsContact O-N 3.08Å
95	R	36.8	Very low	44.8	Very low	219 Å²	219	112.1 Å²	112.1	83%	0.826	59%	0.587	S	S	*	*	H	α-helix	trans	-70.5	-35.7	179.7	-111.1	179.7	-87.8	178.5	-5.4	112.5	A93 G99	A93-R95 PolarHBondContact O-N 2.96Å; R95-G99 PolarHBondContact O-N 2.94Å
96	F	35.1	Very low	44.6	Very low	66 Å²	66	109 Å²	109	29%	0.289	58%	0.575	S	S	.	*	H	α-helix	trans	-77	-40.6	179.8	-171.2	-93.3	0	0	0	111.9	W63 D81 S84 A93 Q98 G99 C100	W63-F96 HydrophobicContact CZ2-CE2 4.47Å; W63-F96 HydrophobicContact CZ2-CZ 4.32Å; D81-F96 HydrophobicContact CB-CZ 4.34Å; S84-F96 WeakPolarHBondContact OG-CE1 3.44Å; A93-F96 PolarHBondContact O-N 2.85Å; F96-Q98 VanDerWaalsContact C-N 3.34Å; F96-Q98 PolarHBondContact O-N 2.97Å; F96-G99 PolarHBondContact O-N 3.49Å; F96-C100 WeakPolarHBondContact CE1-SG 3.33Å; F96-C100 VanDerWaalsContact CZ-SG 3.54Å; F96-C100 WeakPolarHBondContact O-CB 3.43Å; F96-C100 PolarHBondContact O-N 3.39Å; F96-C100 PolarHBondContact O-SG 3.07Å
97	V	38	Very low	45	Very low	68 Å²	68	104.6 Å²	104.6	41%	0.412	56%	0.561	S	S	.	*	H	α-helix	trans	-61.1	-44.8	175.6	168.8	0	0	0	0	109.8	A93 G99 C100 H101	A93-V97 WeakPolarHBondContact O-CB 3.34Å; A93-V97 WeakPolarHBondContact O-CG2 3.19Å; A93-V97 PolarHBondContact O-N 2.8Å; V97-G99 PolarHBondContact O-N 3.32Å; V97-C100 PolarHBondContact O-N 3.4Å; V97-H101 WeakPolarHBondContact CG1-CD2 3.46Å; V97-H101 WeakPolarHBondContact CG1-NE2 3.31Å; V97-H101 WeakPolarHBondContact O-CB 3.38Å; V97-H101 PolarHBondContact O-CD2 3.41Å; V97-H101 PolarHBondContact O-N 3.21Å
98	Q	42.7	Very low	45.6	Very low	148 Å²	148	102.8 Å²	102.8	69%	0.692	53%	0.534	S	S	*	.	H	α-helix	trans	-66	-38.1	178.2	-161.2	157.5	5.9	0	0	113	D94 F96 L102	D94-Q98 WeakPolarHBondContact O-CB 3.46Å; D94-Q98 PolarHBondContact O-N 3.05Å; D94-Q98 VanDerWaalsContact O-N 3.08Å; F96-Q98 VanDerWaalsContact C-N 3.34Å; F96-Q98 PolarHBondContact O-N 2.97Å; Q98-L102 PolarHBondContact O-N 3.49Å; Q98-L102 VanDerWaalsContact O-N 3.14Å
99	G	45.6	Very low	46.4	Very low	33 Å²	33	95.7 Å²	95.7	34%	0.34	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-43.2	173.3	0	0	0	0	0	113.3	R95 F96 V97 L102 I103	R95-G99 PolarHBondContact O-N 2.94Å; F96-G99 PolarHBondContact O-N 3.49Å; V97-G99 PolarHBondContact O-N 3.32Å; G99-L102 PolarHBondContact O-N 3.2Å; G99-I103 WeakPolarHBondContact O-CD1 3.46Å; G99-I103 VanDerWaalsContact O-CG1 3.27Å; G99-I103 WeakPolarHBondContact O-CG1 3.26Å; G99-I103 PolarHBondContact O-N 2.94Å; G99-I103 VanDerWaalsContact O-N 3.09Å
100	C	48.3	Very low	47.1	Very low	26 Å²	26	96.4 Å²	96.4	18%	0.176	50%	0.504	C	S	.	.	H	α-helix	trans	-68.3	-40.4	178.2	-68.8	0	0	0	0	112.4	F96 V97 L102 I103 V104	F96-C100 WeakPolarHBondContact CE1-SG 3.33Å; F96-C100 VanDerWaalsContact CZ-SG 3.54Å; F96-C100 WeakPolarHBondContact O-CB 3.43Å; F96-C100 PolarHBondContact O-N 3.39Å; F96-C100 PolarHBondContact O-SG 3.07Å; V97-C100 PolarHBondContact O-N 3.4Å; C100-L102 VanDerWaalsContact C-N 3.3Å; C100-L102 PolarHBondContact O-N 2.87Å; C100-I103 PolarHBondContact O-N 3.06Å; C100-V104 WeakPolarHBondContact O-CG2 3.38Å; C100-V104 PolarHBondContact O-N 3.31Å
101	H	43.3	Very low	48	Very low	124 Å²	124	89.2 Å²	89.2	57%	0.574	48%	0.476	S	S	*	.	H	α-helix	trans	-59.2	-43.1	174	-81.9	-67	0	0	0	111.4	V97 V104 V105	V97-H101 WeakPolarHBondContact CG1-CD2 3.46Å; V97-H101 WeakPolarHBondContact CG1-NE2 3.31Å; V97-H101 WeakPolarHBondContact O-CB 3.38Å; V97-H101 PolarHBondContact O-CD2 3.41Å; V97-H101 PolarHBondContact O-N 3.21Å; H101-V104 PolarHBondContact O-N 2.98Å; H101-V105 WeakPolarHBondContact O-CB 3.5Å; H101-V105 WeakPolarHBondContact O-CG2 3.41Å; H101-V105 PolarHBondContact O-N 3.45Å
102	L	50.4	Low	48.7	Very low	112 Å²	112	88.7 Å²	88.7	59%	0.586	46%	0.463	S	S	*	.	H	α-helix	trans	-64.2	-42.4	178.5	-160.3	72.3	0	0	0	111.8	Q98 G99 C100 V105 E106	Q98-L102 PolarHBondContact O-N 3.49Å; Q98-L102 VanDerWaalsContact O-N 3.14Å; G99-L102 PolarHBondContact O-N 3.2Å; C100-L102 VanDerWaalsContact C-N 3.3Å; C100-L102 PolarHBondContact O-N 2.87Å; L102-V105 PolarHBondContact O-N 2.93Å; L102-E106 PolarHBondContact O-N 3.22Å
103	I	54	Low	49.9	Very low	52 Å²	52	88.5 Å²	88.5	27%	0.267	46%	0.455	S	S	.	.	H	α-helix	trans	-62.9	-44.3	178.2	-67.3	163.9	0	0	0	111.5	G99 C100 F107	G99-I103 WeakPolarHBondContact O-CD1 3.46Å; G99-I103 VanDerWaalsContact O-CG1 3.27Å; G99-I103 WeakPolarHBondContact O-CG1 3.26Å; G99-I103 PolarHBondContact O-N 2.94Å; G99-I103 VanDerWaalsContact O-N 3.09Å; C100-I103 PolarHBondContact O-N 3.06Å; I103-F107 VanDerWaalsContact O-CB 3.32Å; I103-F107 WeakPolarHBondContact O-CB 3.16Å; I103-F107 PolarHBondContact O-N 2.96Å
104	V	54.8	Low	50.8	Low	33 Å²	33	89.4 Å²	89.4	20%	0.2	44%	0.444	C	S	.	.	H	α-helix	trans	-65.1	-42.2	178.1	172.3	0	0	0	0	110.8	V77 V79 C100 H101 F107 I108	V77-V104 WeakPolarHBondContact O-CG1 3.26Å; V79-V104 HydrophobicContact CB-CG2 4.47Å; C100-V104 WeakPolarHBondContact O-CG2 3.38Å; C100-V104 PolarHBondContact O-N 3.31Å; H101-V104 PolarHBondContact O-N 2.98Å; V104-F107 PolarHBondContact O-N 3.32Å; V104-I108 HydrophobicContact CG1-CD1 3.65Å; V104-I108 HydrophobicContact CG1-CG1 4.46Å; V104-I108 WeakPolarHBondContact O-CB 3.44Å; V104-I108 WeakPolarHBondContact O-CD1 3.44Å; V104-I108 WeakPolarHBondContact O-CG1 3.12Å; V104-I108 PolarHBondContact O-N 3.15Å
105	V	53.8	Low	51.7	Low	77 Å²	77	88 Å²	88	47%	0.467	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-47.6	178.9	172.5	0	0	0	0	111.2	H101 L102 F107 I108 L109	H101-V105 WeakPolarHBondContact O-CB 3.5Å; H101-V105 WeakPolarHBondContact O-CG2 3.41Å; H101-V105 PolarHBondContact O-N 3.45Å; L102-V105 PolarHBondContact O-N 2.93Å; V105-F107 PolarHBondContact O-N 2.82Å; V105-I108 PolarHBondContact O-N 3.39Å; V105-L109 HydrophobicContact CG1-CD1 3.8Å; V105-L109 HydrophobicContact CG1-CG 4.35Å; V105-L109 WeakPolarHBondContact O-CB 3.4Å; V105-L109 VanDerWaalsContact O-CG 3.3Å; V105-L109 WeakPolarHBondContact O-CG 3.21Å; V105-L109 PolarHBondContact O-N 3.5Å
106	E	54.2	Low	52.9	Low	128 Å²	128	80.6 Å²	80.6	60%	0.598	42%	0.415	S	S	*	.	H	α-helix	trans	-62.3	-40.9	177.3	-79.2	-167.7	165.5	0	0	112.4	L102 I108 L109 N110	L102-E106 PolarHBondContact O-N 3.22Å; E106-I108 VanDerWaalsContact C-N 3.34Å; E106-I108 PolarHBondContact O-N 3.48Å; E106-L109 PolarHBondContact O-N 3.25Å; E106-N110 WeakPolarHBondContact O-CB 3.39Å; E106-N110 PolarHBondContact O-N 3.27Å
107	F	57.2	Low	54.1	Low	76 Å²	76	80.1 Å²	80.1	33%	0.333	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-44.2	177.7	-177.1	-99.4	0	0	0	111.5	V77 I103 V104 V105 A111 L150	V77-F107 HydrophobicContact CB-CE1 4.4Å; V77-F107 HydrophobicContact CG2-CE1 4.29Å; I103-F107 VanDerWaalsContact O-CB 3.32Å; I103-F107 WeakPolarHBondContact O-CB 3.16Å; I103-F107 PolarHBondContact O-N 2.96Å; V104-F107 PolarHBondContact O-N 3.32Å; V105-F107 PolarHBondContact O-N 2.82Å; F107-A111 WeakPolarHBondContact O-CB 3.11Å; F107-A111 PolarHBondContact O-N 3.31Å; F107-L150 HydrophobicContact CD2-CD1 3.77Å; F107-L150 HydrophobicContact CE2-CD1 3.94Å
108	I	56	Low	54.8	Low	30 Å²	30	78.9 Å²	78.9	15%	0.154	41%	0.413	C	S	.	.	H	α-helix	trans	-68.3	-42.8	-179	-67.5	173	0	0	0	110.7	F76 V104 V105 E106 Y112	F76-I108 HydrophobicContact CB-CD1 4.07Å; F76-I108 HydrophobicContact CD1-CD1 3.63Å; F76-I108 HydrophobicContact CD1-CG2 4.3Å; F76-I108 HydrophobicContact CG-CD1 4.32Å; V104-I108 HydrophobicContact CG1-CD1 3.65Å; V104-I108 HydrophobicContact CG1-CG1 4.46Å; V104-I108 WeakPolarHBondContact O-CB 3.44Å; V104-I108 WeakPolarHBondContact O-CD1 3.44Å; V104-I108 WeakPolarHBondContact O-CG1 3.12Å; V104-I108 PolarHBondContact O-N 3.15Å; V105-I108 PolarHBondContact O-N 3.39Å; E106-I108 VanDerWaalsContact C-N 3.34Å; E106-I108 PolarHBondContact O-N 3.48Å; I108-Y112 WeakPolarHBondContact O-CB 3.46Å; I108-Y112 PolarHBondContact O-N 3.38Å
109	L	57	Low	55.5	Low	99 Å²	99	80.9 Å²	80.9	52%	0.518	41%	0.414	S	S	.	.	H	α-helix	trans	-63.9	-48.6	176.4	-69.1	174.2	0	0	0	111.4	V105 E106 A111 Y112 D113	V105-L109 HydrophobicContact CG1-CD1 3.8Å; V105-L109 HydrophobicContact CG1-CG 4.35Å; V105-L109 WeakPolarHBondContact O-CB 3.4Å; V105-L109 VanDerWaalsContact O-CG 3.3Å; V105-L109 WeakPolarHBondContact O-CG 3.21Å; V105-L109 PolarHBondContact O-N 3.5Å; E106-L109 PolarHBondContact O-N 3.25Å; L109-A111 PolarHBondContact O-N 3.06Å; L109-Y112 PolarHBondContact O-N 3.02Å; L109-D113 WeakPolarHBondContact O-CB 3.41Å; L109-D113 VanDerWaalsContact O-CG 3.29Å; L109-D113 PolarHBondContact O-N 2.62Å
110	N	58.9	Low	56.3	Low	78 Å²	78	83.3 Å²	83.3	42%	0.417	42%	0.422	S	S	.	.	H	α-helix	trans	-67.3	-39.9	-179.1	-166.3	-3.5	0	0	0	112.1	E106 R114	E106-N110 WeakPolarHBondContact O-CB 3.39Å; E106-N110 PolarHBondContact O-N 3.27Å; N110-R114 VanDerWaalsContact O-CB 3.3Å; N110-R114 WeakPolarHBondContact O-CB 3.29Å; N110-R114 WeakPolarHBondContact O-CG 3.33Å; N110-R114 PolarHBondContact O-N 3.13Å; N110-R114 PolarHBondContact OD1-NE 2.91Å
111	A	58.3	Low	56.7	Low	35 Å²	35	88.2 Å²	88.2	29%	0.289	44%	0.438	S	S	.	.	H	α-helix	trans	-65	-42.2	174.1	0	0	0	0	0	111.5	F107 L109 L115	F107-A111 WeakPolarHBondContact O-CB 3.11Å; F107-A111 PolarHBondContact O-N 3.31Å; L109-A111 PolarHBondContact O-N 3.06Å; A111-L115 WeakPolarHBondContact O-CB 3.2Å; A111-L115 WeakPolarHBondContact O-CG 3.39Å; A111-L115 PolarHBondContact O-N 3.4Å
112	Y	60.3	Low	57.4	Low	150 Å²	150	84.2 Å²	84.2	59%	0.588	43%	0.427	S	S	*	.	H	α-helix	trans	-65.5	-49	177.9	-173.5	-96.1	0	0	0	111.8	I108 L109 R114 L115 V116	I108-Y112 WeakPolarHBondContact O-CB 3.46Å; I108-Y112 PolarHBondContact O-N 3.38Å; L109-Y112 PolarHBondContact O-N 3.02Å; Y112-R114 VanDerWaalsContact C-N 3.29Å; Y112-R114 PolarHBondContact O-N 2.85Å; Y112-L115 PolarHBondContact O-N 3.45Å; Y112-L115 VanDerWaalsContact O-N 3.12Å; Y112-V116 HydrophobicContact CD1-CG2 3.92Å; Y112-V116 HydrophobicContact CE1-CG2 3.56Å; Y112-V116 HydrophobicContact CE2-CG2 4.27Å; Y112-V116 HydrophobicContact CG-CG2 4.43Å; Y112-V116 WeakPolarHBondContact O-CG2 3.45Å; Y112-V116 PolarHBondContact O-N 3.08Å
113	D	64.5	Low	57.9	Low	101 Å²	101	84.7 Å²	84.7	54%	0.54	43%	0.429	S	S	.	.	H	α-helix	trans	-59.7	-41.7	178.7	-73.8	-19.5	0	0	0	111.3	L109 V116 A117	L109-D113 WeakPolarHBondContact O-CB 3.41Å; L109-D113 VanDerWaalsContact O-CG 3.29Å; L109-D113 PolarHBondContact O-N 2.62Å; D113-V116 PolarHBondContact O-N 3.43Å; D113-A117 VanDerWaalsContact O-CB 3.23Å; D113-A117 WeakPolarHBondContact O-CB 3.4Å; D113-A117 PolarHBondContact O-N 3.49Å
114	R	60.2	Low	58.5	Low	86 Å²	86	86.1 Å²	86.1	33%	0.325	44%	0.444	S	S	.	.	H	α-helix	trans	-64.7	-45.5	174.1	-73.8	178.9	-178.1	-130.5	-1.4	111.9	N110 Y112 V116 A117 M118 S142	N110-R114 VanDerWaalsContact O-CB 3.3Å; N110-R114 WeakPolarHBondContact O-CB 3.29Å; N110-R114 WeakPolarHBondContact O-CG 3.33Å; N110-R114 PolarHBondContact O-N 3.13Å; N110-R114 PolarHBondContact OD1-NE 2.91Å; Y112-R114 VanDerWaalsContact C-N 3.29Å; Y112-R114 PolarHBondContact O-N 2.85Å; R114-V116 VanDerWaalsContact C-N 3.33Å; R114-V116 PolarHBondContact O-N 3.07Å; R114-A117 PolarHBondContact O-N 2.93Å; R114-M118 HydrophobicContact CB-CE 3.8Å; R114-M118 VanDerWaalsContact O-CB 3.29Å; R114-M118 WeakPolarHBondContact O-CB 3.48Å; R114-M118 WeakPolarHBondContact O-CE 3.26Å; R114-M118 WeakPolarHBondContact O-CG 3.49Å; R114-M118 PolarHBondContact O-N 3.23Å; R114-S142 PolarHBondContact NH1-O 3.16Å
115	L	56	Low	58.8	Low	108 Å²	108	86.1 Å²	86.1	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-63.4	-39	178.5	-74.4	169.7	0	0	0	112.1	A111 Y112 M118 R119	A111-L115 WeakPolarHBondContact O-CB 3.2Å; A111-L115 WeakPolarHBondContact O-CG 3.39Å; A111-L115 PolarHBondContact O-N 3.4Å; Y112-L115 PolarHBondContact O-N 3.45Å; Y112-L115 VanDerWaalsContact O-N 3.12Å; L115-M118 HydrophobicContact CD2-CE 4.12Å; L115-M118 HydrophobicContact CG-CE 4.48Å; L115-R119 WeakPolarHBondContact O-CB 3.46Å; L115-R119 PolarHBondContact O-N 3.2Å
116	V	62.1	Low	59.4	Low	63 Å²	63	86.8 Å²	86.8	38%	0.382	45%	0.449	S	S	.	.	H	α-helix	trans	-66.2	-48.6	175.6	173.1	0	0	0	0	110.3	Y112 D113 R114 M118 R119 T120	Y112-V116 HydrophobicContact CD1-CG2 3.92Å; Y112-V116 HydrophobicContact CE1-CG2 3.56Å; Y112-V116 HydrophobicContact CE2-CG2 4.27Å; Y112-V116 HydrophobicContact CG-CG2 4.43Å; Y112-V116 WeakPolarHBondContact O-CG2 3.45Å; Y112-V116 PolarHBondContact O-N 3.08Å; D113-V116 PolarHBondContact O-N 3.43Å; R114-V116 VanDerWaalsContact C-N 3.33Å; R114-V116 PolarHBondContact O-N 3.07Å; V116-M118 VanDerWaalsContact C-N 3.3Å; V116-M118 PolarHBondContact O-N 3.27Å; V116-R119 PolarHBondContact O-N 3.39Å; V116-T120 WeakPolarHBondContact O-CG2 3.45Å; V116-T120 PolarHBondContact O-N 3.41Å; V116-T120 PolarHBondContact O-OG1 2.8Å; V116-T120 VanDerWaalsContact O-OG1 3.05Å
117	A	60.2	Low	59.9	Low	55 Å²	55	85 Å²	85	46%	0.455	45%	0.446	S	S	.	.	H	α-helix	trans	-60.8	-37.9	176.7	0	0	0	0	0	112.4	D113 R114 T120 Y121	D113-A117 VanDerWaalsContact O-CB 3.23Å; D113-A117 WeakPolarHBondContact O-CB 3.4Å; D113-A117 PolarHBondContact O-N 3.49Å; R114-A117 PolarHBondContact O-N 2.93Å; A117-T120 WeakPolarHBondContact CA-OG1 3.32Å; A117-T120 PolarHBondContact O-OG1 3.3Å; A117-Y121 WeakPolarHBondContact O-CB 3.21Å; A117-Y121 PolarHBondContact O-N 3.01Å
118	M	54.2	Low	59.8	Low	43 Å²	43	81.9 Å²	81.9	21%	0.212	44%	0.435	C	S	.	.	H	α-helix	trans	-65.3	-44.5	175.4	-76.5	-173.1	-108.9	0	0	111.9	R114 L115 V116 A122 L139	R114-M118 HydrophobicContact CB-CE 3.8Å; R114-M118 VanDerWaalsContact O-CB 3.29Å; R114-M118 WeakPolarHBondContact O-CB 3.48Å; R114-M118 WeakPolarHBondContact O-CE 3.26Å; R114-M118 WeakPolarHBondContact O-CG 3.49Å; R114-M118 PolarHBondContact O-N 3.23Å; L115-M118 HydrophobicContact CD2-CE 4.12Å; L115-M118 HydrophobicContact CG-CE 4.48Å; V116-M118 VanDerWaalsContact C-N 3.3Å; V116-M118 PolarHBondContact O-N 3.27Å; M118-A122 VanDerWaalsContact O-CB 3.26Å; M118-A122 WeakPolarHBondContact O-CB 3.48Å; M118-A122 PolarHBondContact O-N 3.32Å; M118-L139 HydrophobicContact CB-CD1 4.37Å; M118-L139 HydrophobicContact CB-CD2 4.31Å; M118-L139 HydrophobicContact CG-CD1 4.14Å; M118-L139 HydrophobicContact CG-CD2 3.4Å; M118-L139 VanDerWaalsContact CG-CD2 3.4Å; M118-L139 HydrophobicContact CG-CG 4.26Å; M118-L139 HydrophobicContact SD-CB 3.88Å; M118-L139 HydrophobicContact SD-CD1 3.65Å; M118-L139 HydrophobicContact SD-CD2 3.44Å; M118-L139 WeakPolarHBondContact SD-CD2 3.21Å; M118-L139 HydrophobicContact SD-CG 3.78Å
119	R	56.1	Low	60.1	Low	190 Å²	190	88.8 Å²	88.8	72%	0.717	46%	0.459	S	S	*	.	H	α-helix	trans	-67.5	-40.7	-179.8	-172.8	177.2	-177	-174.9	1	111.5	L115 V116 L123	L115-R119 WeakPolarHBondContact O-CB 3.46Å; L115-R119 PolarHBondContact O-N 3.2Å; V116-R119 PolarHBondContact O-N 3.39Å; R119-L123 HydrophobicContact CG-CD1 4.09Å; R119-L123 WeakPolarHBondContact O-CB 3.48Å; R119-L123 WeakPolarHBondContact O-CD1 3.46Å; R119-L123 WeakPolarHBondContact O-CG 3.39Å; R119-L123 PolarHBondContact O-N 3.28Å
120	T	61.8	Low	60.4	Low	83 Å²	83	91.2 Å²	91.2	51%	0.509	47%	0.465	S	S	.	.	H	α-helix	trans	-67.1	-45.8	177.2	50.5	0	0	0	0	110.7	V116 A117 A122 L123 S124	V116-T120 WeakPolarHBondContact O-CG2 3.45Å; V116-T120 PolarHBondContact O-N 3.41Å; V116-T120 PolarHBondContact O-OG1 2.8Å; V116-T120 VanDerWaalsContact O-OG1 3.05Å; A117-T120 WeakPolarHBondContact CA-OG1 3.32Å; A117-T120 PolarHBondContact O-OG1 3.3Å; T120-A122 PolarHBondContact O-N 2.92Å; T120-L123 PolarHBondContact O-N 2.89Å; T120-S124 WeakPolarHBondContact O-CB 3.47Å; T120-S124 PolarHBondContact O-N 3.04Å; T120-S124 PolarHBondContact O-OG 3.12Å; T120-S124 VanDerWaalsContact O-OG 3.05Å
121	Y	57.9	Low	60.3	Low	129 Å²	129	93.7 Å²	93.7	51%	0.506	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-44.9	179	-172.3	-98.6	0	0	0	112.8	A117 L123 S124 D125	A117-Y121 WeakPolarHBondContact O-CB 3.21Å; A117-Y121 PolarHBondContact O-N 3.01Å; Y121-L123 VanDerWaalsContact C-N 3.26Å; Y121-L123 PolarHBondContact O-N 2.98Å; Y121-S124 WeakPolarHBondContact CA-OG 3.4Å; Y121-S124 PolarHBondContact O-N 2.89Å; Y121-S124 PolarHBondContact O-OG 2.98Å; Y121-D125 HydrophobicContact CE1-CB 4.3Å; Y121-D125 WeakPolarHBondContact O-CB 3.32Å; Y121-D125 PolarHBondContact O-N 2.81Å; Y121-D125 PolarHBondContact OH-OD2 2.82Å
122	A	57.2	Low	60.3	Low	40 Å²	40	95.6 Å²	95.6	33%	0.331	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-28.1	178.8	0	0	0	0	0	113.4	M118 T120	M118-A122 VanDerWaalsContact O-CB 3.26Å; M118-A122 WeakPolarHBondContact O-CB 3.48Å; M118-A122 PolarHBondContact O-N 3.32Å; T120-A122 PolarHBondContact O-N 2.92Å
123	L	62.3	Low	59.9	Low	122 Å²	122	98 Å²	98	64%	0.639	49%	0.488	S	S	*	.	H	α-helix	trans	-84.4	-31.7	176.6	-69.1	172.7	0	0	0	112.5	R119 T120 Y121	R119-L123 HydrophobicContact CG-CD1 4.09Å; R119-L123 WeakPolarHBondContact O-CB 3.48Å; R119-L123 WeakPolarHBondContact O-CD1 3.46Å; R119-L123 WeakPolarHBondContact O-CG 3.39Å; R119-L123 PolarHBondContact O-N 3.28Å; T120-L123 PolarHBondContact O-N 2.89Å; Y121-L123 VanDerWaalsContact C-N 3.26Å; Y121-L123 PolarHBondContact O-N 2.98Å
124	S	65.6	Low	59.6	Low	82 Å²	82	96.4 Å²	96.4	57%	0.573	49%	0.489	S	S	*	.	H	α-helix	trans	-83.3	-33.4	-178.4	59.7	0	0	0	0	114	T120 Y121 P126	T120-S124 WeakPolarHBondContact O-CB 3.47Å; T120-S124 PolarHBondContact O-N 3.04Å; T120-S124 PolarHBondContact O-OG 3.12Å; T120-S124 VanDerWaalsContact O-OG 3.05Å; Y121-S124 WeakPolarHBondContact CA-OG 3.4Å; Y121-S124 PolarHBondContact O-N 2.89Å; Y121-S124 PolarHBondContact O-OG 2.98Å; S124-P126 WeakPolarHBondContact O-CD 3.27Å
125	D	61.9	Low	59.5	Low	34 Å²	34	93.9 Å²	93.9	18%	0.182	48%	0.484	C	S	.	.			trans	-87.3	115.7	-171.2	-167	-24.6	0	0	0	112.1	Y121 V127 A128 R129	Y121-D125 HydrophobicContact CE1-CB 4.3Å; Y121-D125 WeakPolarHBondContact O-CB 3.32Å; Y121-D125 PolarHBondContact O-N 2.81Å; Y121-D125 PolarHBondContact OH-OD2 2.82Å; D125-V127 PolarHBondContact O-N 3.37Å; D125-V127 WeakPolarHBondContact OD1-CB 3.42Å; D125-V127 PolarHBondContact OD1-N 3.45Å; D125-A128 HydrophobicContact CB-CB 3.88Å; D125-A128 PolarHBondContact O-N 3.48Å; D125-R129 PolarHBondContact O-N 2.95Å
126	P	66.1	Low	59.6	Low	91 Å²	91	91.2 Å²	91.2	59%	0.591	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.8	176.7	26	-32.7	0	0	0	113.4	S124	S124-P126 WeakPolarHBondContact O-CD 3.27Å
127	V	64	Low	59.5	Low	90 Å²	90	94 Å²	94	55%	0.545	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-39.1	176.1	-176.6	0	0	0	0	111	D125 R129 K130 Y131	D125-V127 PolarHBondContact O-N 3.37Å; D125-V127 WeakPolarHBondContact OD1-CB 3.42Å; D125-V127 PolarHBondContact OD1-N 3.45Å; V127-R129 VanDerWaalsContact C-N 3.25Å; V127-R129 PolarHBondContact O-N 3.39Å; V127-K130 WeakPolarHBondContact O-CB 3.31Å; V127-K130 PolarHBondContact O-N 2.84Å; V127-Y131 HydrophobicContact CG1-CD2 4.16Å; V127-Y131 HydrophobicContact CG1-CE2 4.48Å; V127-Y131 PolarHBondContact O-N 2.98Å
128	A	56.4	Low	59.5	Low	11 Å²	11	93.4 Å²	93.4	9%	0.091	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-32.7	176.8	0	0	0	0	0	112.2	D125 K130 T135	D125-A128 HydrophobicContact CB-CB 3.88Å; D125-A128 PolarHBondContact O-N 3.48Å; A128-K130 VanDerWaalsContact C-N 3.25Å; A128-K130 PolarHBondContact O-N 3.36Å; A128-T135 HydrophobicContact CB-CG2 4.49Å
129	R	60.8	Low	59.7	Low	174 Å²	174	94.1 Å²	94.1	66%	0.657	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.3	171.4	-84.7	-175.9	-84.8	-178.8	-7	113.5	D125 V127	D125-R129 PolarHBondContact O-N 2.95Å; V127-R129 VanDerWaalsContact C-N 3.25Å; V127-R129 PolarHBondContact O-N 3.39Å
130	K	63	Low	59.7	Low	150 Å²	150	87.4 Å²	87.4	65%	0.652	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-26.3	-177.1	-166.8	171	-179.8	177.3	0	112.9	V127 A128	V127-K130 WeakPolarHBondContact O-CB 3.31Å; V127-K130 PolarHBondContact O-N 2.84Å; A128-K130 VanDerWaalsContact C-N 3.25Å; A128-K130 PolarHBondContact O-N 3.36Å
131	Y	58.6	Low	59.8	Low	131 Å²	131	87.3 Å²	87.3	51%	0.514	48%	0.477	S	S	.	.			trans	-132.2	67.4	-177	-56.5	-74.9	0	0	0	112.4	V127 Y133 A134 T135	V127-Y131 HydrophobicContact CG1-CD2 4.16Å; V127-Y131 HydrophobicContact CG1-CE2 4.48Å; V127-Y131 PolarHBondContact O-N 2.98Å; Y131-Y133 PolarHBondContact O-N 2.99Å; Y131-Y133 VanDerWaalsContact O-N 3.14Å; Y131-A134 PolarHBondContact O-N 3.18Å; Y131-T135 PolarHBondContact O-N 2.98Å; Y131-T135 PolarHBondContact O-OG1 3.05Å
132	P	57.3	Low	59.9	Low	75 Å²	75	83 Å²	83	49%	0.487	47%	0.466	S	S	.	.	H	α-helix	trans	-59.6	-32.2	-174	23.5	-34.1	0	0	0	113.1	A136	P132-A136 VanDerWaalsContact O-CB 3.26Å; P132-A136 WeakPolarHBondContact O-CB 3.3Å; P132-A136 PolarHBondContact O-N 2.64Å
133	Y	51.7	Low	60	Low	200 Å²	200	83.2 Å²	83.2	78%	0.784	47%	0.468	S	S	*	.	H	α-helix	trans	-71.7	-36.1	-179.6	-61.2	-75.1	0	0	0	113.7	Y131 A136 L137	Y131-Y133 PolarHBondContact O-N 2.99Å; Y131-Y133 VanDerWaalsContact O-N 3.14Å; Y133-A136 PolarHBondContact O-N 3.29Å; Y133-L137 WeakPolarHBondContact O-CB 3.45Å; Y133-L137 PolarHBondContact O-N 3.05Å
134	A	58.3	Low	59.8	Low	67 Å²	67	82.9 Å²	82.9	55%	0.554	47%	0.466	S	S	*	.	H	α-helix	trans	-70.2	-42.1	179.5	0	0	0	0	0	110.7	Y131 L137 G138	Y131-A134 PolarHBondContact O-N 3.18Å; A134-L137 PolarHBondContact O-N 2.95Å; A134-G138 PolarHBondContact O-N 3.42Å
135	T	59.5	Low	59.7	Low	34 Å²	34	82.6 Å²	82.6	21%	0.209	46%	0.46	C	S	.	.	H	α-helix	trans	-61.3	-52	171.7	-47	0	0	0	0	109.6	A128 Y131 L137 G138 L139	A128-T135 HydrophobicContact CB-CG2 4.49Å; Y131-T135 PolarHBondContact O-N 2.98Å; Y131-T135 PolarHBondContact O-OG1 3.05Å; T135-L137 VanDerWaalsContact C-N 3.28Å; T135-L137 PolarHBondContact O-N 3.47Å; T135-G138 PolarHBondContact O-N 3.4Å; T135-L139 HydrophobicContact CG2-CD1 4.35Å; T135-L139 HydrophobicContact CG2-CG 4.33Å; T135-L139 VanDerWaalsContact O-CG 3.24Å; T135-L139 WeakPolarHBondContact O-CG 3.12Å; T135-L139 PolarHBondContact O-N 3.15Å
136	A	56.3	Low	59.6	Low	52 Å²	52	82 Å²	82	43%	0.43	46%	0.459	S	S	.	.	H	α-helix	trans	-55.4	-38.8	179	0	0	0	0	0	113.8	P132 Y133 L139 A140	P132-A136 VanDerWaalsContact O-CB 3.26Å; P132-A136 WeakPolarHBondContact O-CB 3.3Å; P132-A136 PolarHBondContact O-N 2.64Å; Y133-A136 PolarHBondContact O-N 3.29Å; A136-L139 PolarHBondContact O-N 3.09Å; A136-A140 WeakPolarHBondContact O-CB 3.47Å; A136-A140 PolarHBondContact O-N 3.47Å
137	L	60.6	Low	59.1	Low	121 Å²	121	81.8 Å²	81.8	63%	0.634	46%	0.456	S	S	*	.	H	α-helix	trans	-66.9	-45.5	175.9	-167.2	75.2	0	0	0	111.6	Y133 A134 T135 L139 A140 V141	Y133-L137 WeakPolarHBondContact O-CB 3.45Å; Y133-L137 PolarHBondContact O-N 3.05Å; A134-L137 PolarHBondContact O-N 2.95Å; T135-L137 VanDerWaalsContact C-N 3.28Å; T135-L137 PolarHBondContact O-N 3.47Å; L137-L139 VanDerWaalsContact C-N 3.27Å; L137-L139 PolarHBondContact O-N 3.37Å; L137-A140 PolarHBondContact O-N 3.43Å; L137-V141 WeakPolarHBondContact O-CG2 3.21Å; L137-V141 PolarHBondContact O-N 3.27Å
138	G	61.3	Low	58.9	Low	43 Å²	43	81.8 Å²	81.8	44%	0.443	46%	0.456	S	S	.	.	H	α-helix	trans	-59.5	-39	173.9	0	0	0	0	0	112.5	A134 T135 V141 S142	A134-G138 PolarHBondContact O-N 3.42Å; T135-G138 PolarHBondContact O-N 3.4Å; G138-V141 PolarHBondContact O-N 2.96Å; G138-S142 PolarHBondContact O-N 3.5Å
139	L	58	Low	59.1	Low	58 Å²	58	84.3 Å²	84.3	30%	0.304	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-45	174.8	-62.9	-175.7	0	0	0	111.5	M118 T135 A136 L137 V141 S142 A143	M118-L139 HydrophobicContact CB-CD1 4.37Å; M118-L139 HydrophobicContact CB-CD2 4.31Å; M118-L139 HydrophobicContact CG-CD1 4.14Å; M118-L139 HydrophobicContact CG-CD2 3.4Å; M118-L139 VanDerWaalsContact CG-CD2 3.4Å; M118-L139 HydrophobicContact CG-CG 4.26Å; M118-L139 HydrophobicContact SD-CB 3.88Å; M118-L139 HydrophobicContact SD-CD1 3.65Å; M118-L139 HydrophobicContact SD-CD2 3.44Å; M118-L139 WeakPolarHBondContact SD-CD2 3.21Å; M118-L139 HydrophobicContact SD-CG 3.78Å; T135-L139 HydrophobicContact CG2-CD1 4.35Å; T135-L139 HydrophobicContact CG2-CG 4.33Å; T135-L139 VanDerWaalsContact O-CG 3.24Å; T135-L139 WeakPolarHBondContact O-CG 3.12Å; T135-L139 PolarHBondContact O-N 3.15Å; A136-L139 PolarHBondContact O-N 3.09Å; L137-L139 VanDerWaalsContact C-N 3.27Å; L137-L139 PolarHBondContact O-N 3.37Å; L139-V141 PolarHBondContact O-N 3.31Å; L139-S142 PolarHBondContact O-N 2.91Å; L139-S142 PolarHBondContact O-OG 3.02Å; L139-A143 PolarHBondContact O-N 2.93Å
140	A	56	Low	58.9	Low	48 Å²	48	78.8 Å²	78.8	40%	0.397	46%	0.46	S	S	.	.	H	α-helix	trans	-61.9	-43	177.3	0	0	0	0	0	111.8	A136 L137 S142 A143 L144	A136-A140 WeakPolarHBondContact O-CB 3.47Å; A136-A140 PolarHBondContact O-N 3.47Å; L137-A140 PolarHBondContact O-N 3.43Å; A140-S142 PolarHBondContact O-N 2.76Å; A140-A143 PolarHBondContact O-N 2.88Å; A140-L144 WeakPolarHBondContact O-CB 3.3Å; A140-L144 VanDerWaalsContact O-CG 3.26Å; A140-L144 WeakPolarHBondContact O-CG 3.38Å; A140-L144 PolarHBondContact O-N 3.36Å
141	V	63.2	Low	58.5	Low	82 Å²	82	74.3 Å²	74.3	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-43	176.1	175.2	0	0	0	0	111	L137 G138 L139 A143 L144 T145	L137-V141 WeakPolarHBondContact O-CG2 3.21Å; L137-V141 PolarHBondContact O-N 3.27Å; G138-V141 PolarHBondContact O-N 2.96Å; L139-V141 PolarHBondContact O-N 3.31Å; V141-A143 VanDerWaalsContact C-N 3.31Å; V141-A143 PolarHBondContact O-N 3.37Å; V141-L144 PolarHBondContact O-N 2.98Å; V141-T145 HydrophobicContact CG1-CG2 4.47Å; V141-T145 WeakPolarHBondContact O-CG2 3.3Å; V141-T145 PolarHBondContact O-N 2.8Å; V141-T145 PolarHBondContact O-OG1 3.3Å
142	S	60.7	Low	58.5	Low	38 Å²	38	71.1 Å²	71.1	27%	0.266	45%	0.449	S	S	.	.	H	α-helix	trans	-65.2	-33.3	178.8	80.8	0	0	0	0	113.4	R114 G138 L139 A140 T145 S146	R114-S142 PolarHBondContact NH1-O 3.16Å; G138-S142 PolarHBondContact O-N 3.5Å; L139-S142 PolarHBondContact O-N 2.91Å; L139-S142 PolarHBondContact O-OG 3.02Å; A140-S142 PolarHBondContact O-N 2.76Å; S142-T145 PolarHBondContact O-OG1 3.43Å; S142-S146 PolarHBondContact O-N 3.39Å; S142-S146 PolarHBondContact O-OG 3.5Å
143	A	58.9	Low	58.6	Low	45 Å²	45	70.1 Å²	70.1	37%	0.372	45%	0.447	S	S	.	.	H	α-helix	trans	-73.8	-40	176.3	0	0	0	0	0	111.1	L139 A140 V141 S146 V147	L139-A143 PolarHBondContact O-N 2.93Å; A140-A143 PolarHBondContact O-N 2.88Å; V141-A143 VanDerWaalsContact C-N 3.31Å; V141-A143 PolarHBondContact O-N 3.37Å; A143-S146 PolarHBondContact O-N 3.01Å; A143-S146 PolarHBondContact O-OG 3.45Å; A143-V147 VanDerWaalsContact O-CG2 3.31Å; A143-V147 WeakPolarHBondContact O-CG2 3.27Å; A143-V147 PolarHBondContact O-N 3.3Å; A143-V147 VanDerWaalsContact O-N 3.08Å
144	L	58.1	Low	58.7	Low	115 Å²	115	63.1 Å²	63.1	60%	0.602	42%	0.422	S	S	*	.	H	α-helix	trans	-63.8	-41.9	174.6	-72.5	169	0	0	0	111.7	A140 V141 S146 V147 T148	A140-L144 WeakPolarHBondContact O-CB 3.3Å; A140-L144 VanDerWaalsContact O-CG 3.26Å; A140-L144 WeakPolarHBondContact O-CG 3.38Å; A140-L144 PolarHBondContact O-N 3.36Å; V141-L144 PolarHBondContact O-N 2.98Å; L144-S146 PolarHBondContact O-N 3.32Å; L144-V147 PolarHBondContact O-N 3.44Å; L144-T148 PolarHBondContact O-N 2.94Å; L144-T148 PolarHBondContact O-OG1 3.34Å
145	T	63.3	Low	58.4	Low	75 Å²	75	64.1 Å²	64.1	46%	0.46	42%	0.415	S	S	.	.	H	α-helix	trans	-65.2	-37.3	178.3	55.2	0	0	0	0	112.5	V141 S142 T148 A149	V141-T145 HydrophobicContact CG1-CG2 4.47Å; V141-T145 WeakPolarHBondContact O-CG2 3.3Å; V141-T145 PolarHBondContact O-N 2.8Å; V141-T145 PolarHBondContact O-OG1 3.3Å; S142-T145 PolarHBondContact O-OG1 3.43Å; T145-T148 VanDerWaalsContact CA-OG1 3.27Å; T145-T148 WeakPolarHBondContact CA-OG1 3.38Å; T145-T148 PolarHBondContact O-N 3.48Å; T145-T148 PolarHBondContact O-OG1 3.45Å; T145-A149 WeakPolarHBondContact O-CB 3.23Å; T145-A149 PolarHBondContact O-N 3.5Å
146	S	60.4	Low	58.1	Low	23 Å²	23	63.9 Å²	63.9	16%	0.161	42%	0.419	C	S	.	.	H	α-helix	trans	-65.4	-40.5	173.3	55.9	0	0	0	0	112	S142 A143 L144 T148 A149 L150	S142-S146 PolarHBondContact O-N 3.39Å; S142-S146 PolarHBondContact O-OG 3.5Å; A143-S146 PolarHBondContact O-N 3.01Å; A143-S146 PolarHBondContact O-OG 3.45Å; L144-S146 PolarHBondContact O-N 3.32Å; S146-T148 PolarHBondContact O-N 3.32Å; S146-A149 PolarHBondContact O-N 2.88Å; S146-L150 WeakPolarHBondContact O-CB 3.06Å; S146-L150 VanDerWaalsContact O-CD1 3.3Å; S146-L150 WeakPolarHBondContact O-CD1 3.46Å; S146-L150 VanDerWaalsContact O-CG 3.31Å; S146-L150 WeakPolarHBondContact O-CG 3.18Å; S146-L150 PolarHBondContact O-N 3.47Å
147	V	56	Low	57.9	Low	85 Å²	85	65.9 Å²	65.9	52%	0.515	42%	0.421	S	S	.	.	H	α-helix	trans	-63.3	-41	175.8	171.9	0	0	0	0	111.2	A143 L144 L150 S151	A143-V147 VanDerWaalsContact O-CG2 3.31Å; A143-V147 WeakPolarHBondContact O-CG2 3.27Å; A143-V147 PolarHBondContact O-N 3.3Å; A143-V147 VanDerWaalsContact O-N 3.08Å; L144-V147 PolarHBondContact O-N 3.44Å; V147-L150 PolarHBondContact O-N 2.95Å; V147-S151 PolarHBondContact O-N 3.49Å
148	T	58	Low	57.1	Low	91 Å²	91	60.8 Å²	60.8	56%	0.558	40%	0.396	S	S	*	.	H	α-helix	trans	-67.4	-39.5	175.8	49.6	0	0	0	0	112.8	L144 T145 S146 L150 S151 A152	L144-T148 PolarHBondContact O-N 2.94Å; L144-T148 PolarHBondContact O-OG1 3.34Å; T145-T148 VanDerWaalsContact CA-OG1 3.27Å; T145-T148 WeakPolarHBondContact CA-OG1 3.38Å; T145-T148 PolarHBondContact O-N 3.48Å; T145-T148 PolarHBondContact O-OG1 3.45Å; S146-T148 PolarHBondContact O-N 3.32Å; T148-L150 VanDerWaalsContact C-N 3.33Å; T148-L150 PolarHBondContact O-N 3.06Å; T148-S151 WeakPolarHBondContact O-CB 3.38Å; T148-S151 PolarHBondContact O-N 2.86Å; T148-A152 PolarHBondContact O-N 2.87Å
149	A	61.5	Low	56.1	Low	63 Å²	63	62.3 Å²	62.3	52%	0.521	40%	0.399	S	S	.	.	H	α-helix	trans	-65.3	-38.8	176.2	0	0	0	0	0	111.6	T145 S146 A152 A153	T145-A149 WeakPolarHBondContact O-CB 3.23Å; T145-A149 PolarHBondContact O-N 3.5Å; S146-A149 PolarHBondContact O-N 2.88Å; A149-A152 PolarHBondContact O-N 3.39Å; A149-A153 PolarHBondContact O-N 3.21Å
150	L	55.8	Low	55.5	Low	59 Å²	59	69.2 Å²	69.2	31%	0.309	42%	0.421	S	S	.	.	H	α-helix	trans	-64	-44.6	172.9	-78.9	156	0	0	0	111.5	F107 S146 V147 T148 A152 A153 M154	F107-L150 HydrophobicContact CD2-CD1 3.77Å; F107-L150 HydrophobicContact CE2-CD1 3.94Å; S146-L150 WeakPolarHBondContact O-CB 3.06Å; S146-L150 VanDerWaalsContact O-CD1 3.3Å; S146-L150 WeakPolarHBondContact O-CD1 3.46Å; S146-L150 VanDerWaalsContact O-CG 3.31Å; S146-L150 WeakPolarHBondContact O-CG 3.18Å; S146-L150 PolarHBondContact O-N 3.47Å; V147-L150 PolarHBondContact O-N 2.95Å; T148-L150 VanDerWaalsContact C-N 3.33Å; T148-L150 PolarHBondContact O-N 3.06Å; L150-A152 VanDerWaalsContact C-N 3.28Å; L150-A152 PolarHBondContact O-N 2.77Å; L150-A153 PolarHBondContact O-N 3.01Å; L150-A153 VanDerWaalsContact O-N 3.16Å; L150-M154 WeakPolarHBondContact O-CB 3.44Å; L150-M154 VanDerWaalsContact O-CG 3.26Å; L150-M154 WeakPolarHBondContact O-CG 3.35Å; L150-M154 PolarHBondContact O-N 3.4Å
151	S	56.1	Low	54.9	Low	55 Å²	55	70.3 Å²	70.3	39%	0.385	43%	0.425	S	S	.	.	H	α-helix	trans	-57	-44	173.5	-174.2	0	0	0	0	111.2	V147 T148 M154 H155	V147-S151 PolarHBondContact O-N 3.49Å; T148-S151 WeakPolarHBondContact O-CB 3.38Å; T148-S151 PolarHBondContact O-N 2.86Å; S151-M154 PolarHBondContact O-N 3.03Å; S151-H155 WeakPolarHBondContact O-CB 3.48Å; S151-H155 PolarHBondContact O-N 2.82Å; S151-H155 PolarHBondContact O-ND1 2.89Å; S151-H155 PolarHBondContact OG-CE1 2.91Å; S151-H155 PolarHBondContact OG-ND1 3.47Å
152	A	58.3	Low	53.9	Low	65 Å²	65	69 Å²	69	54%	0.537	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-39.9	176.1	0	0	0	0	0	112.7	T148 A149 L150 H155 G156	T148-A152 PolarHBondContact O-N 2.87Å; A149-A152 PolarHBondContact O-N 3.39Å; L150-A152 VanDerWaalsContact C-N 3.28Å; L150-A152 PolarHBondContact O-N 2.77Å; A152-H155 PolarHBondContact O-N 2.95Å; A152-G156 PolarHBondContact O-N 3.44Å
153	A	58.3	Low	52.8	Low	54 Å²	54	71.2 Å²	71.2	45%	0.446	44%	0.435	S	S	.	.	H	α-helix	trans	-64.6	-42.3	175.1	0	0	0	0	0	112	A149 L150 G156 I157	A149-A153 PolarHBondContact O-N 3.21Å; L150-A153 PolarHBondContact O-N 3.01Å; L150-A153 VanDerWaalsContact O-N 3.16Å; A153-G156 PolarHBondContact O-N 3.47Å; A153-G156 VanDerWaalsContact O-N 3.17Å; A153-I157 WeakPolarHBondContact O-CG1 3.27Å; A153-I157 PolarHBondContact O-N 2.94Å
154	M	53.5	Low	52.2	Low	53 Å²	53	79.6 Å²	79.6	26%	0.261	46%	0.457	S	S	.	.	H	α-helix	trans	-64.9	-41.1	175.4	-67.5	-173.1	88.7	0	0	111.7	W63 L150 S151 G156 I157 C158	W63-M154 HydrophobicContact CD2-CE 3.84Å; W63-M154 HydrophobicContact CE3-CE 3.31Å; W63-M154 HydrophobicContact CH2-CE 3.27Å; W63-M154 HydrophobicContact CZ2-CE 3.8Å; W63-M154 HydrophobicContact CZ3-CE 3.02Å; L150-M154 WeakPolarHBondContact O-CB 3.44Å; L150-M154 VanDerWaalsContact O-CG 3.26Å; L150-M154 WeakPolarHBondContact O-CG 3.35Å; L150-M154 PolarHBondContact O-N 3.4Å; S151-M154 PolarHBondContact O-N 3.03Å; M154-G156 VanDerWaalsContact C-N 3.33Å; M154-G156 PolarHBondContact O-N 3.36Å; M154-I157 PolarHBondContact O-N 3.49Å; M154-C158 VanDerWaalsContact O-CB 3.27Å; M154-C158 WeakPolarHBondContact O-CB 3.2Å; M154-C158 PolarHBondContact O-N 3.17Å
155	H	52.1	Low	51.2	Low	88 Å²	88	80.2 Å²	80.2	41%	0.407	46%	0.461	S	S	.	.	H	α-helix	trans	-60.5	-41.7	170.4	-78.8	92.8	0	0	0	111.3	S151 A152 I157 C158 C159	S151-H155 WeakPolarHBondContact O-CB 3.48Å; S151-H155 PolarHBondContact O-N 2.82Å; S151-H155 PolarHBondContact O-ND1 2.89Å; S151-H155 PolarHBondContact OG-CE1 2.91Å; S151-H155 PolarHBondContact OG-ND1 3.47Å; A152-H155 PolarHBondContact O-N 2.95Å; H155-I157 PolarHBondContact O-N 3.29Å; H155-C158 PolarHBondContact O-N 2.87Å; H155-C159 WeakPolarHBondContact O-CB 3.45Å; H155-C159 PolarHBondContact O-N 2.9Å; H155-C159 PolarHBondContact O-SG 3.09Å; H155-C159 VanDerWaalsContact O-SG 3.39Å
156	G	54.8	Low	49.6	Very low	29 Å²	29	85.8 Å²	85.8	30%	0.299	48%	0.482	S	S	.	.	H	α-helix	trans	-65.5	-35.1	177.5	0	0	0	0	0	114.3	A152 A153 M154 R160	A152-G156 PolarHBondContact O-N 3.44Å; A153-G156 PolarHBondContact O-N 3.47Å; A153-G156 VanDerWaalsContact O-N 3.17Å; M154-G156 VanDerWaalsContact C-N 3.33Å; M154-G156 PolarHBondContact O-N 3.36Å; G156-R160 WeakPolarHBondContact O-CB 3.37Å; G156-R160 PolarHBondContact O-N 3.37Å
157	I	52.1	Low	48.2	Very low	93 Å²	93	91.1 Å²	91.1	48%	0.477	51%	0.513	S	S	.	.	H	α-helix	trans	-71.4	-41.5	173.3	-66.4	166.3	0	0	0	110.2	A153 M154 H155 R160 S161	A153-I157 WeakPolarHBondContact O-CG1 3.27Å; A153-I157 PolarHBondContact O-N 2.94Å; M154-I157 PolarHBondContact O-N 3.49Å; H155-I157 PolarHBondContact O-N 3.29Å; I157-R160 PolarHBondContact O-N 2.9Å; I157-S161 PolarHBondContact O-N 3.46Å; I157-S161 VanDerWaalsContact O-N 3.13Å
158	C	42.7	Very low	47.2	Very low	14 Å²	14	89.8 Å²	89.8	10%	0.095	51%	0.511	C	S	.	.	H	α-helix	trans	-66.7	-43.1	177.5	-164.9	0	0	0	0	112	M154 H155 R160 S161 Q162	M154-C158 VanDerWaalsContact O-CB 3.27Å; M154-C158 WeakPolarHBondContact O-CB 3.2Å; M154-C158 PolarHBondContact O-N 3.17Å; H155-C158 PolarHBondContact O-N 2.87Å; C158-R160 VanDerWaalsContact C-N 3.31Å; C158-R160 PolarHBondContact O-N 3.4Å; C158-S161 PolarHBondContact O-N 2.83Å; C158-S161 PolarHBondContact O-OG 3.34Å; C158-Q162 WeakPolarHBondContact O-CB 3.48Å; C158-Q162 WeakPolarHBondContact O-CG 3.33Å; C158-Q162 PolarHBondContact O-N 3.21Å
159	C	40.3	Very low	46.1	Very low	75 Å²	75	94.4 Å²	94.4	51%	0.507	53%	0.526	S	S	.	.	H	α-helix	trans	-64.7	-33.6	174.4	-73.9	0	0	0	0	112.3	H155 Q162 A163	H155-C159 WeakPolarHBondContact O-CB 3.45Å; H155-C159 PolarHBondContact O-N 2.9Å; H155-C159 PolarHBondContact O-SG 3.09Å; H155-C159 VanDerWaalsContact O-SG 3.39Å; C159-Q162 PolarHBondContact O-N 3.14Å; C159-A163 VanDerWaalsContact O-CB 3.31Å; C159-A163 WeakPolarHBondContact O-CB 3.31Å; C159-A163 PolarHBondContact O-N 3.03Å
160	R	45.6	Very low	44.8	Very low	204 Å²	204	95.1 Å²	95.1	77%	0.77	54%	0.539	S	S	*	.	H	α-helix	trans	-70.9	-29.4	175.2	-107.8	-179.9	-95.6	-128.6	-2.1	113.3	G156 I157 C158	G156-R160 WeakPolarHBondContact O-CB 3.37Å; G156-R160 PolarHBondContact O-N 3.37Å; I157-R160 PolarHBondContact O-N 2.9Å; C158-R160 VanDerWaalsContact C-N 3.31Å; C158-R160 PolarHBondContact O-N 3.4Å
161	S	43.3	Very low	43.7	Very low	70 Å²	70	94.6 Å²	94.6	49%	0.49	54%	0.54	S	S	.	.	H	α-helix	trans	-80.7	-35.4	172.5	71.9	0	0	0	0	112.2	I157 C158 R164	I157-S161 PolarHBondContact O-N 3.46Å; I157-S161 VanDerWaalsContact O-N 3.13Å; C158-S161 PolarHBondContact O-N 2.83Å; C158-S161 PolarHBondContact O-OG 3.34Å; S161-R164 PolarHBondContact O-N 3.32Å
162	Q	42.4	Very low	42.7	Very low	54 Å²	54	101.7 Å²	101.7	25%	0.252	56%	0.558	S	S	.	*	H	α-helix	trans	-74.2	-23.9	175.2	-77.1	174.4	-30.3	0	0	113.5	C158 C159 R164 N165 A168	C158-Q162 WeakPolarHBondContact O-CB 3.48Å; C158-Q162 WeakPolarHBondContact O-CG 3.33Å; C158-Q162 PolarHBondContact O-N 3.21Å; C159-Q162 PolarHBondContact O-N 3.14Å; Q162-R164 PolarHBondContact O-N 3.5Å; Q162-N165 CarbonylContact O-C 3.23Å; Q162-N165 VanDerWaalsContact O-C 3.23Å; Q162-N165 PolarHBondContact O-N 2.89Å; Q162-A168 VanDerWaalsContact NE2-CB 3.32Å
163	A	37.8	Very low	41.6	Very low	86 Å²	86	101.6 Å²	101.6	71%	0.711	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-9.4	172.9	0	0	0	0	0	113.9	C159	C159-A163 VanDerWaalsContact O-CB 3.31Å; C159-A163 WeakPolarHBondContact O-CB 3.31Å; C159-A163 PolarHBondContact O-N 3.03Å
164	R	45.7	Very low	40.7	Very low	220 Å²	220	104.4 Å²	104.4	83%	0.83	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-11.8	170.1	-69.2	-173.2	-172.2	-173.7	0.7	114.4	S161 Q162	S161-R164 PolarHBondContact O-N 3.32Å; Q162-R164 PolarHBondContact O-N 3.5Å
165	N	36.6	Very low	40.1	Very low	128 Å²	128	106 Å²	106	68%	0.684	57%	0.568	S	S	*	*	S	Bend	trans	-133.5	100.5	177.9	-79.4	-17.7	0	0	0	108.5	Q162	Q162-N165 CarbonylContact O-C 3.23Å; Q162-N165 VanDerWaalsContact O-C 3.23Å; Q162-N165 PolarHBondContact O-N 2.89Å
166	E	29.9	Very low	39.7	Very low	192 Å²	192	105.6 Å²	105.6	90%	0.897	57%	0.568	S	S	*	*			trans	-48.3	139.1	178.4	-65.7	176.7	152.5	0	0	112
167	V	31.4	Very low	38.9	Very low	136 Å²	136	108.3 Å²	108.3	82%	0.824	58%	0.578	S	S	*	*			trans	80.7	97.5	172.2	-163.9	0	0	0	0	116.2
168	A	36.1	Very low	38.1	Very low	57 Å²	57	109.8 Å²	109.8	47%	0.471	58%	0.583	S	S	.	*			trans	-158.5	102.3	148.1	0	0	0	0	0	111.9	Q162	Q162-A168 VanDerWaalsContact NE2-CB 3.32Å
169	Q	33.1	Very low	37.5	Very low	188 Å²	188	114.7 Å²	114.7	88%	0.879	62%	0.615	S	S	*	*			trans	-68.6	131.9	167.8	-68.3	163	-22.2	0	0	110
170	G	35.6	Very low	37.1	Very low	77 Å²	77	118.8 Å²	118.8	79%	0.794	62%	0.62	S	S	*	*			trans	55.5	76.5	155.3	0	0	0	0	0	118.4	R172	G170-R172 PolarHBondContact O-N 2.9Å
171	C	32.6	Very low	36.4	Very low	49 Å²	49	114.9 Å²	114.9	33%	0.331	62%	0.621	S	S	.	*			trans	-72.9	121.2	168.1	-74.8	0	0	0	0	111.4
172	R	35.7	Very low	36	Very low	203 Å²	203	119.1 Å²	119.1	77%	0.766	63%	0.633	S	S	*	*			trans	-98.1	111.5	173.6	-157.3	-175.9	-67.4	-173.2	0.2	108.7	G170	G170-R172 PolarHBondContact O-N 2.9Å
173	V	34.3	Very low	35.5	Very low	63 Å²	63	125.3 Å²	125.3	38%	0.382	66%	0.661	S	S	.	*			trans	-84.3	121.1	-179.2	-178.7	0	0	0	0	109.9	I66 V175	I66-V173 HydrophobicContact CD1-CG1 3.49Å; I66-V173 VanDerWaalsContact CD1-CG1 3.49Å; I66-V173 HydrophobicContact CG1-CG1 4.18Å; V173-V175 HydrophobicContact CG1-CG2 4.41Å
174	H	39.4	Very low	35.3	Very low	114 Å²	114	128 Å²	128	53%	0.528	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.2	116.2	172.4	-70.4	-89.3	0	0	0	110
175	V	41.2	Very low	34.7	Very low	87 Å²	87	125.7 Å²	125.7	53%	0.527	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	113.5	174	-176.2	0	0	0	0	108.3	V68 V173 V177	V68-V175 HydrophobicContact CG2-CG1 3.99Å; V173-V175 HydrophobicContact CG1-CG2 4.41Å; V175-V177 HydrophobicContact CG1-CG2 4.02Å
176	L	42.4	Very low	34.3	Very low	78 Å²	78	124.8 Å²	124.8	41%	0.408	67%	0.666	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.1	112.9	171.8	-70.3	168.3	0	0	0	108.1	W56	W56-L176 HydrophobicContact CZ3-CD1 4.21Å
177	V	39.4	Very low	34.4	Very low	86 Å²	86	123.8 Å²	123.8	52%	0.521	67%	0.666	S	S	.	*			trans	-99.9	109.2	171.7	-175.8	0	0	0	0	107.1	V175	V175-V177 HydrophobicContact CG1-CG2 4.02Å
178	E	34	Very low	34.3	Very low	124 Å²	124	127.7 Å²	127.7	58%	0.579	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-90	120.4	171.4	-74.9	-171.3	157.8	0	0	109.7	W56 R180	W56-E178 WeakPolarHBondContact CZ2-OE1 3.2Å; E178-R180 PolarHBondContact O-N 3.33Å
179	P	31.1	Very low	34	Very low	117 Å²	117	133.9 Å²	133.9	76%	0.76	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-69.9	118.1	168.4	27	-29.3	0	0	0	108.7
180	R	30.6	Very low	33.6	Very low	161 Å²	161	128.5 Å²	128.5	61%	0.608	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-61	128.5	167.4	-84.1	-155.3	-108	-167.7	-7.2	109.4	D69 E178 H182	D69-R180 IonicContact OD1-NE 3.53Å; D69-R180 IonicContact OD1-NH2 3.89Å; D69-R180 IonicContact OD2-CZ 2.75Å; D69-R180 IonicContact OD2-NE 3.54Å; D69-R180 IonicContact OD2-NH2 3.84Å; D69-R180 PolarHBondContact OD2-NH2 3.25Å; E178-R180 PolarHBondContact O-N 3.33Å; R180-H182 PolarHBondContact O-N 2.88Å
181	P	32.2	Very low	33.3	Very low	123 Å²	123	128.6 Å²	128.6	80%	0.799	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-68	116.8	173.2	26.1	-30	0	0	0	108.7	H183	P181-H183 PolarHBondContact O-N 3.01Å
182	H	33.5	Very low	33.1	Very low	159 Å²	159	136.4 Å²	136.4	74%	0.736	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-66.6	129.2	164.1	-84.6	-81.5	0	0	0	108	R180 N184	R180-H182 PolarHBondContact O-N 2.88Å; H182-N184 VanDerWaalsContact C-N 3.29Å; H182-N184 PolarHBondContact O-N 2.84Å
183	H	33.4	Very low	32.7	Very low	184 Å²	184	136 Å²	136	85%	0.852	70%	0.702	S	S	*	*	S	Bend	trans	-58.3	96.8	164.9	-91	-83.9	0	0	0	107.9	P181	P181-H183 PolarHBondContact O-N 3.01Å
184	N	33.7	Very low	32.2	Very low	141 Å²	141	139.1 Å²	139.1	75%	0.754	72%	0.724	S	S	*	*	S	Bend	trans	170.1	127	143.7	-78.5	-15.7	0	0	0	108.3	H182	H182-N184 VanDerWaalsContact C-N 3.29Å; H182-N184 PolarHBondContact O-N 2.84Å
185	E	32.1	Very low	31.7	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	74%	0.74	S	S	*	*			trans	72.8	95.1	158.2	-75.8	162	151.9	0	0	119.4	L187	E185-L187 PolarHBondContact O-N 2.98Å
186	S	28.3	Very low	31	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	75%	0.748	S	S	*	*				46.4	69.6	121.8	58.1	0	0	0	0	118.2
187	L	32.7	Very low	30.4	Very low	171 Å²	171	143.2 Å²	143.2	90%	0.895	77%	0.768	S	S	*	*			trans	-131.7	91.4	147.5	-88.8	162.8	0	0	0	109.7	E185	E185-L187 PolarHBondContact O-N 2.98Å
188	R	28.1	Very low	29.8	Very low	219 Å²	219	149.9 Å²	149.9	83%	0.826	78%	0.784	S	S	*	*			trans	-56.1	150.7	153	-69.4	178.3	177.1	-174.3	-1.6	108.1
189	Q	30	Very low	29.5	Very low	186 Å²	186	148.8 Å²	148.8	87%	0.869	80%	0.796	S	S	*	*	S	Bend	trans	88.6	106.8	169	-64.7	137.3	-24.2	0	0	117.5
190	G	25.9	Very low	29.2	Very low	76 Å²	76	150.1 Å²	150.1	78%	0.784	80%	0.796	S	S	*	*				77.3	89.3	127.4	0	0	0	0	0	116.9
191	A	29.2	Very low	29	Very low	78 Å²	78	152 Å²	152	65%	0.645	81%	0.808	S	S	*	*			trans	-143.9	64.7	161	0	0	0	0	0	110.8	Y193	A191-Y193 VanDerWaalsContact C-N 3.34Å; A191-Y193 HydrophobicContact CB-CD2 3.72Å; A191-Y193 HydrophobicContact CB-CE2 3.58Å; A191-Y193 PolarHBondContact O-N 3.49Å
192	K	27.3	Very low	28.7	Very low	214 Å²	214	158.4 Å²	158.4	93%	0.93	83%	0.831	S	S	*	*			trans	-70.3	93.7	154.1	-77.7	-178.7	177.2	179.7	0	107
193	Y	27.5	Very low	28.5	Very low	195 Å²	195	158.4 Å²	158.4	77%	0.765	84%	0.836	S	S	*	*			trans	-106.4	90.8	166.7	-69.4	-74.7	0	0	0	109.5	A191 L195	A191-Y193 VanDerWaalsContact C-N 3.34Å; A191-Y193 HydrophobicContact CB-CD2 3.72Å; A191-Y193 HydrophobicContact CB-CE2 3.58Å; A191-Y193 PolarHBondContact O-N 3.49Å; Y193-L195 PolarHBondContact O-N 3.47Å
194	C	24.9	Very low	28.2	Very low	127 Å²	127	157 Å²	157	86%	0.858	84%	0.835	S	S	*	*			trans	-81.3	86.5	161.1	-156.1	0	0	0	0	106.6	A196	C194-A196 PolarHBondContact O-N 2.85Å
195	L	28.7	Very low	27.9	Very low	163 Å²	163	157.9 Å²	157.9	85%	0.853	84%	0.839	S	S	*	*			trans	-77.8	83.7	167.2	-87.3	163.3	0	0	0	108	Y193 S197	Y193-L195 PolarHBondContact O-N 3.47Å; L195-S197 PolarHBondContact O-N 3.13Å; L195-S197 VanDerWaalsContact O-N 3.1Å
196	A	26.7	Very low	27.7	Very low	85 Å²	85	157.1 Å²	157.1	70%	0.702	84%	0.841	S	S	*	*			trans	-67.3	96.2	159.6	0	0	0	0	0	107.8	C194 R198	C194-A196 PolarHBondContact O-N 2.85Å; A196-R198 VanDerWaalsContact C-N 3.35Å; A196-R198 PolarHBondContact O-N 3.19Å
197	S	29.9	Very low	27.6	Very low	118 Å²	118	160.1 Å²	160.1	83%	0.825	85%	0.846	S	S	*	*			trans	-72.3	101.4	161.1	66.8	0	0	0	0	107.4	L195 A199	L195-S197 PolarHBondContact O-N 3.13Å; L195-S197 VanDerWaalsContact O-N 3.1Å; S197-A199 PolarHBondContact O-N 3.36Å
198	R	25.9	Very low	27.3	Very low	226 Å²	226	159.3 Å²	159.3	85%	0.853	84%	0.843	S	S	*	*			trans	-60.8	110.9	171.7	-156.4	171.9	178.2	175.8	-2.1	107.3	A196 L200	A196-R198 VanDerWaalsContact C-N 3.35Å; A196-R198 PolarHBondContact O-N 3.19Å; R198-L200 PolarHBondContact O-N 3.08Å; R198-L200 VanDerWaalsContact O-N 3.15Å
199	A	28.7	Very low	27.2	Very low	100 Å²	100	155.1 Å²	155.1	83%	0.826	84%	0.844	S	S	*	*			trans	-63.1	110.5	167.3	0	0	0	0	0	108.6	S197	S197-A199 PolarHBondContact O-N 3.36Å
200	L	23.8	Very low	27	Very low	146 Å²	146	152.7 Å²	152.7	76%	0.764	84%	0.842	S	S	*	*			trans	-101.9	109.7	153.3	-92.5	151.1	0	0	0	104.5	R198	R198-L200 PolarHBondContact O-N 3.08Å; R198-L200 VanDerWaalsContact O-N 3.15Å
201	F	27.1	Very low	27.1	Very low	199 Å²	199	159.1 Å²	159.1	87%	0.873	85%	0.847	S	S	*	*				-177.3	134.8	119	-101.7	-79.3	0	0	0	108.9
202	M	25.4	Very low	26.9	Very low	258 Å²	258	166.5 Å²	166.5	100%	1.271	87%	0.866	S	S	*	*			trans	-53.9	0	166.6	-70.9	179.6	146.9	0	0	112.2

Retrieved 202 of 202 residues in 38.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).