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NADH dehydrogenase [ubiquinone] iron-sulfur protein 5

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession G4VNQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 169 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	31.7	Very low	50.6	Low	245 Å²	245	106.2 Å²	106.2	100%	1.207	62%	0.615	S	S	*	*				0	94.4	0	-67.2	-175.4	-87.6	0	0	106.8
2	A	31	Very low	53.1	Low	105 Å²	105	109.1 Å²	109.1	87%	0.868	62%	0.619	S	S	*	*			trans	-91	110.5	-177.4	0	0	0	0	0	108.2	G4	A2-G4 PolarHBondContact O-N 3.35Å
3	E	35.3	Very low	55	Low	177 Å²	177	110 Å²	110	83%	0.827	61%	0.607	S	S	*	*			trans	-67.5	98.2	171.7	-65.9	179.3	162.6	0	0	108
4	G	34.4	Very low	56.3	Low	57 Å²	57	103.1 Å²	103.1	59%	0.588	57%	0.568	S	S	*	*			trans	-59.1	146.8	167.9	0	0	0	0	0	109.6	A2 F6	A2-G4 PolarHBondContact O-N 3.35Å; G4-F6 VanDerWaalsContact C-N 3.32Å; G4-F6 PolarHBondContact O-N 3.19Å
5	A	43.4	Very low	57.9	Low	92 Å²	92	99.9 Å²	99.9	76%	0.76	55%	0.55	S	S	*	*			trans	-51.2	92.1	180	0	0	0	0	0	111.1
6	F	47.9	Very low	59.6	Low	104 Å²	104	104 Å²	104	46%	0.456	56%	0.555	S	S	.	*			trans	-88.8	118.4	-178.6	64.3	-87.8	0	0	0	107.7	G4 I8	G4-F6 VanDerWaalsContact C-N 3.32Å; G4-F6 PolarHBondContact O-N 3.19Å; F6-I8 HydrophobicContact CD2-CG1 4.05Å; F6-I8 HydrophobicContact CE2-CG1 3.68Å; F6-I8 PolarHBondContact O-N 3.32Å; F6-I8 VanDerWaalsContact O-N 3.09Å
7	V	57.9	Low	60.7	Low	21 Å²	21	101.2 Å²	101.2	13%	0.127	54%	0.54	C	S	.	.			trans	-60.7	114.3	162.6	179.1	0	0	0	0	105.8	T9 D104	V7-T9 PolarHBondContact O-N 2.92Å; V7-D104 WeakPolarHBondContact CG2-OD1 3.41Å
8	I	62.6	Low	61.6	Low	27 Å²	27	95.7 Å²	95.7	14%	0.138	51%	0.51	C	S	.	.			trans	-56.2	107.4	173.5	-63	163.8	0	0	0	107.5	F6 D10 R13 L17	F6-I8 HydrophobicContact CD2-CG1 4.05Å; F6-I8 HydrophobicContact CE2-CG1 3.68Å; F6-I8 PolarHBondContact O-N 3.32Å; F6-I8 VanDerWaalsContact O-N 3.09Å; I8-D10 HydrophobicContact CG2-CB 4.45Å; I8-R13 HydrophobicContact CG2-CB 3.88Å; I8-R13 HydrophobicContact CG2-CG 3.97Å; I8-L17 HydrophobicContact CD1-CD1 3.52Å
9	T	62.6	Low	62.7	Low	98 Å²	98	95.6 Å²	95.6	60%	0.601	51%	0.51	S	S	*	.			trans	-82.8	-20.6	177.8	45.8	0	0	0	0	111.9	V7 Q11	V7-T9 PolarHBondContact O-N 2.92Å; T9-Q11 PolarHBondContact O-N 3.45Å
10	D	76	Confident	63.6	Low	98 Å²	98	95.9 Å²	95.9	52%	0.524	51%	0.508	S	S	.	.			trans	-78.3	110.6	-178.2	-59.9	-27	0	0	0	111	I8 E12 R13 L14	I8-D10 HydrophobicContact CG2-CB 4.45Å; D10-E12 VanDerWaalsContact C-N 3.3Å; D10-E12 PolarHBondContact O-N 3.44Å; D10-R13 HydrophobicContact CB-CB 4.01Å; D10-R13 PolarHBondContact O-N 3.03Å; D10-L14 PolarHBondContact O-N 2.93Å; D10-L14 VanDerWaalsContact O-N 3.14Å
11	Q	73.5	Confident	63.9	Low	144 Å²	144	92.4 Å²	92.4	67%	0.673	49%	0.493	S	S	*	.	H	α-helix	trans	-58.1	-40.8	-179.8	-69.1	-180	-20.3	0	0	112.1	T9 R13 L14 D15	T9-Q11 PolarHBondContact O-N 3.45Å; Q11-R13 VanDerWaalsContact C-N 3.32Å; Q11-R13 PolarHBondContact O-N 3.04Å; Q11-L14 PolarHBondContact O-N 3.24Å; Q11-D15 PolarHBondContact O-N 3.14Å
12	E	80.7	Confident	65.7	Low	141 Å²	141	86.2 Å²	86.2	66%	0.659	46%	0.456	S	S	*	.	H	α-helix	trans	-62.2	-38.6	178.6	-64.3	-170.8	-178.2	0	0	112.9	D10 R16	D10-E12 VanDerWaalsContact C-N 3.3Å; D10-E12 PolarHBondContact O-N 3.44Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.37Å; E12-R16 PolarHBondContact O-N 3.44Å; E12-R16 IonicContact OE2-NH2 3.89Å
13	R	78.2	Confident	67.9	Low	121 Å²	121	85 Å²	85	46%	0.457	45%	0.446	S	S	.	.	H	α-helix	trans	-69.1	-40.4	178.4	-176.1	175.1	178.1	178.3	0.7	110.6	I8 D10 Q11 R16 L17	I8-R13 HydrophobicContact CG2-CB 3.88Å; I8-R13 HydrophobicContact CG2-CG 3.97Å; D10-R13 HydrophobicContact CB-CB 4.01Å; D10-R13 PolarHBondContact O-N 3.03Å; Q11-R13 VanDerWaalsContact C-N 3.32Å; Q11-R13 PolarHBondContact O-N 3.04Å; R13-R16 PolarHBondContact O-N 2.92Å; R13-L17 HydrophobicContact CG-CD1 4.25Å; R13-L17 WeakPolarHBondContact O-CG 3.29Å; R13-L17 PolarHBondContact O-N 2.8Å
14	L	72.6	Confident	69.6	Low	14 Å²	14	83.6 Å²	83.6	7%	0.073	44%	0.437	C	S	.	.	H	α-helix	trans	-63.7	-43.1	176.9	-170.3	64	0	0	0	111.2	D10 Q11 L17 N18 H120 I123 Y124	D10-L14 PolarHBondContact O-N 2.93Å; D10-L14 VanDerWaalsContact O-N 3.14Å; Q11-L14 PolarHBondContact O-N 3.24Å; L14-L17 PolarHBondContact O-N 3.05Å; L14-N18 WeakPolarHBondContact O-CB 3.24Å; L14-N18 VanDerWaalsContact O-CG 3.27Å; L14-N18 PolarHBondContact O-N 3.2Å; L14-N18 PolarHBondContact O-ND2 2.9Å; L14-N18 VanDerWaalsContact O-ND2 3.1Å; L14-H120 HydrophobicContact CD2-CB 4.3Å; L14-H120 VanDerWaalsContact CD2-O 3.24Å; L14-H120 WeakPolarHBondContact CD2-O 3.31Å; L14-H120 WeakPolarHBondContact CG-O 3.32Å; L14-I123 HydrophobicContact CD1-CD1 4.06Å; L14-Y124 HydrophobicContact CD1-CD2 4.45Å; L14-Y124 HydrophobicContact CD1-CE2 3.7Å; L14-Y124 HydrophobicContact CD2-CE2 4.2Å
15	D	80.3	Confident	70.8	Confident	55 Å²	55	91.8 Å²	91.8	29%	0.294	45%	0.451	S	S	.	.	H	α-helix	trans	-66.3	-39.4	177.9	-73	-13.8	0	0	0	112.4	Q11 N18 N19 H120	Q11-D15 PolarHBondContact O-N 3.14Å; D15-N18 PolarHBondContact O-N 3.38Å; D15-N19 WeakPolarHBondContact O-CB 3.43Å; D15-N19 PolarHBondContact O-N 3.19Å; D15-N19 PolarHBondContact O-ND2 2.88Å; D15-H120 IonicContact OD1-CE1 3.83Å; D15-H120 PolarHBondContact OD1-CE1 2.73Å; D15-H120 IonicContact OD1-CG 2.72Å; D15-H120 IonicContact OD1-ND1 3.15Å; D15-H120 PolarHBondContact OD1-ND1 3.18Å; D15-H120 IonicContact OD2-CE1 3.76Å; D15-H120 IonicContact OD2-ND1 2.68Å
16	R	85.2	Confident	71.6	Confident	165 Å²	165	92.8 Å²	92.8	62%	0.623	44%	0.443	S	S	*	.	H	α-helix	trans	-59.3	-49.5	172.1	-74	176.1	-165.2	-170.8	7.9	111.6	E12 R13 N18 N19 E20	E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.37Å; E12-R16 PolarHBondContact O-N 3.44Å; E12-R16 IonicContact OE2-NH2 3.89Å; R13-R16 PolarHBondContact O-N 2.92Å; R16-N18 VanDerWaalsContact C-N 3.3Å; R16-N18 PolarHBondContact O-N 3.33Å; R16-N19 PolarHBondContact O-N 2.84Å; R16-E20 WeakPolarHBondContact O-CG 3.45Å; R16-E20 PolarHBondContact O-N 3.38Å
17	L	78.7	Confident	72.1	Confident	57 Å²	57	98.5 Å²	98.5	30%	0.298	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-37.5	178.3	-69.8	167.3	0	0	0	111.7	I8 R13 L14 N19 E20 A21 I123	I8-L17 HydrophobicContact CD1-CD1 3.52Å; R13-L17 HydrophobicContact CG-CD1 4.25Å; R13-L17 WeakPolarHBondContact O-CG 3.29Å; R13-L17 PolarHBondContact O-N 2.8Å; L14-L17 PolarHBondContact O-N 3.05Å; L17-N19 VanDerWaalsContact C-N 3.34Å; L17-E20 PolarHBondContact O-N 3.27Å; L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 2.89Å; L17-I123 HydrophobicContact CB-CD1 3.3Å; L17-I123 HydrophobicContact CD1-CD1 4.47Å
18	N	77.7	Confident	71.9	Confident	1 Å²	1	104.3 Å²	104.3	1%	0.005	49%	0.492	C	S	.	.	H	α-helix	trans	-66.2	-39.7	177.3	-79.4	-39.2	0	0	0	110.9	L14 D15 R16 A21 R22 K119 H120 I123	L14-N18 WeakPolarHBondContact O-CB 3.24Å; L14-N18 VanDerWaalsContact O-CG 3.27Å; L14-N18 PolarHBondContact O-N 3.2Å; L14-N18 PolarHBondContact O-ND2 2.9Å; L14-N18 VanDerWaalsContact O-ND2 3.1Å; D15-N18 PolarHBondContact O-N 3.38Å; R16-N18 VanDerWaalsContact C-N 3.3Å; R16-N18 PolarHBondContact O-N 3.33Å; N18-A21 PolarHBondContact O-N 3.43Å; N18-R22 WeakPolarHBondContact O-CB 3.33Å; N18-R22 VanDerWaalsContact O-CG 3.24Å; N18-R22 WeakPolarHBondContact O-CG 3.38Å; N18-R22 PolarHBondContact O-N 3.36Å; N18-K119 PolarHBondContact ND2-O 3.47Å; N18-K119 VanDerWaalsContact ND2-O 3.12Å; N18-H120 PolarHBondContact ND2-O 3.31Å; N18-I123 HydrophobicContact CB-CD1 4.47Å; N18-I123 WeakPolarHBondContact OD1-CD1 3.17Å; N18-I123 VanDerWaalsContact OD1-CG1 3.23Å; N18-I123 WeakPolarHBondContact OD1-CG1 3.45Å; N18-I123 PolarHBondContact OD1-N 3.22Å
19	N	81.9	Confident	71.4	Confident	95 Å²	95	105.3 Å²	105.3	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-67	-40.7	175.3	-70.7	-26.1	0	0	0	111.6	D15 R16 L17 R22 A23	D15-N19 WeakPolarHBondContact O-CB 3.43Å; D15-N19 PolarHBondContact O-N 3.19Å; D15-N19 PolarHBondContact O-ND2 2.88Å; R16-N19 PolarHBondContact O-N 2.84Å; L17-N19 VanDerWaalsContact C-N 3.34Å; N19-R22 PolarHBondContact O-N 3.4Å; N19-A23 WeakPolarHBondContact O-CB 3.36Å; N19-A23 PolarHBondContact O-N 3.28Å
20	E	80.6	Confident	70.5	Confident	101 Å²	101	105.2 Å²	105.2	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-62.2	-42.7	172.1	-73.7	-177.8	-166	0	0	112.2	R16 L17 R22 A23 K24	R16-E20 WeakPolarHBondContact O-CG 3.45Å; R16-E20 PolarHBondContact O-N 3.38Å; L17-E20 PolarHBondContact O-N 3.27Å; E20-R22 VanDerWaalsContact C-N 3.33Å; E20-A23 PolarHBondContact O-N 3.18Å; E20-K24 WeakPolarHBondContact O-CG 3.38Å; E20-K24 PolarHBondContact O-N 2.92Å
21	A	69.8	Low	68.9	Low	23 Å²	23	108 Å²	108	19%	0.19	51%	0.506	C	S	.	.	H	α-helix	trans	-64.7	-37.5	176.6	0	0	0	0	0	111.6	L17 N18	L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 2.89Å; N18-A21 PolarHBondContact O-N 3.43Å
22	R	69.8	Low	67.7	Low	114 Å²	114	103.5 Å²	103.5	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-65.9	-39.3	172.5	-74.4	169.6	-179	-165.5	-2.4	112.2	N18 N19 E20 D118 K122	N18-R22 WeakPolarHBondContact O-CB 3.33Å; N18-R22 VanDerWaalsContact O-CG 3.24Å; N18-R22 WeakPolarHBondContact O-CG 3.38Å; N18-R22 PolarHBondContact O-N 3.36Å; N19-R22 PolarHBondContact O-N 3.4Å; E20-R22 VanDerWaalsContact C-N 3.33Å; R22-D118 PolarHBondContact NH2-O 3.12Å; R22-K122 HydrophobicContact CG-CD 4.39Å
23	A	76.3	Confident	66	Low	81 Å²	81	101.9 Å²	101.9	67%	0.669	49%	0.492	S	S	*	.	H	α-helix	trans	-70.1	-31.7	179.5	0	0	0	0	0	112.8	N19 E20 R25	N19-A23 WeakPolarHBondContact O-CB 3.36Å; N19-A23 PolarHBondContact O-N 3.28Å; E20-A23 PolarHBondContact O-N 3.18Å; A23-R25 PolarHBondContact O-N 3.22Å
24	K	72.1	Confident	64.7	Low	146 Å²	146	101 Å²	101	64%	0.635	50%	0.496	S	S	*	.	S	Bend	trans	-72.1	94	176.6	-73.2	172.3	-173.8	167.7	0	110.3	E20 N26	E20-K24 WeakPolarHBondContact O-CG 3.38Å; E20-K24 PolarHBondContact O-N 2.92Å; K24-N26 PolarHBondContact O-N 3.41Å
25	R	59.5	Low	63.7	Low	230 Å²	230	108.8 Å²	108.8	87%	0.868	53%	0.534	S	S	*	.			trans	-58.4	123.2	166.4	-76.2	-169.1	-177.2	-169.6	1.6	109.4	A23 R27	A23-R25 PolarHBondContact O-N 3.22Å; R25-R27 PolarHBondContact O-N 2.84Å
26	N	60.8	Low	62.6	Low	112 Å²	112	112.5 Å²	112.5	60%	0.599	55%	0.548	S	S	*	.			trans	-57.3	109.8	165.5	-81.2	-35.7	0	0	0	107.8	K24 D28	K24-N26 PolarHBondContact O-N 3.41Å; N26-D28 PolarHBondContact O-N 3.47Å
27	R	56.4	Low	61.2	Low	225 Å²	225	107 Å²	107	85%	0.849	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-71	122.6	172.9	-65.2	-176.8	-177.2	178.7	0.2	107.6	R25 I29	R25-R27 PolarHBondContact O-N 2.84Å; R27-I29 PolarHBondContact O-N 3.13Å
28	D	54.9	Low	60.2	Low	143 Å²	143	108.6 Å²	108.6	77%	0.765	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-64.3	132.9	168.5	-68.6	-42.7	0	0	0	108.8	N26	N26-D28 PolarHBondContact O-N 3.47Å
29	I	52.5	Low	59.3	Low	48 Å²	48	114.3 Å²	114.3	25%	0.246	57%	0.568	C	S	.	*	P	Polyproline II helix	trans	-75.9	135.3	177	-60.9	-173.3	0	0	0	107.6	R27 F31 K139 M142 M143	R27-I29 PolarHBondContact O-N 3.13Å; I29-F31 PolarHBondContact O-N 3.07Å; I29-K139 HydrophobicContact CD1-CB 3.54Å; I29-K139 HydrophobicContact CD1-CD 3.88Å; I29-K139 HydrophobicContact CD1-CG 3.42Å; I29-K139 VanDerWaalsContact CD1-CG 3.42Å; I29-K139 HydrophobicContact CG1-CD 4.36Å; I29-K139 HydrophobicContact CG1-CG 4.38Å; I29-M142 HydrophobicContact CD1-CE 4.47Å; I29-M143 HydrophobicContact CD1-CG 4.18Å; I29-M143 HydrophobicContact CG2-SD 4.12Å
30	P	44.1	Very low	57.9	Low	95 Å²	95	116.4 Å²	116.4	62%	0.617	57%	0.57	S	S	*	*			trans	-60.6	112.1	172.3	24.1	-32.1	0	0	0	109.8	K146	P30-K146 PolarHBondContact O-NZ 3.25Å
31	F	42.1	Very low	56.8	Low	157 Å²	157	116.2 Å²	116.2	69%	0.689	57%	0.572	S	S	*	*			trans	13.8	111.8	157.9	-153.9	-102.6	0	0	0	116.4	I29 P33	I29-F31 PolarHBondContact O-N 3.07Å; F31-P33 HydrophobicContact CE1-CB 3.93Å
32	S	48.1	Very low	56.2	Low	49 Å²	49	121.1 Å²	121.1	34%	0.343	59%	0.589	S	S	.	*			trans	-103.5	133.1	148	59.7	0	0	0	0	107.4	N34 Q37	S32-N34 VanDerWaalsContact C-N 3.35Å; S32-N34 PolarHBondContact O-N 3.34Å; S32-Q37 PolarHBondContact O-NE2 3.4Å; S32-Q37 VanDerWaalsContact O-NE2 3.15Å; S32-Q37 PolarHBondContact O-OE1 2.95Å; S32-Q37 VanDerWaalsContact O-OE1 3.12Å
33	P	44.1	Very low	55.4	Low	107 Å²	107	117.4 Å²	117.4	70%	0.695	58%	0.579	S	S	*	*			trans	-76.8	86.2	-178.6	32	-32.1	0	0	0	109.1	F31	F31-P33 HydrophobicContact CE1-CB 3.93Å
34	N	50.5	Low	54	Low	103 Å²	103	119.3 Å²	119.3	55%	0.551	57%	0.569	S	S	*	*			trans	-88	128.7	160.3	-89.7	-17.4	0	0	0	107.7	S32 F36 Q37	S32-N34 VanDerWaalsContact C-N 3.35Å; S32-N34 PolarHBondContact O-N 3.34Å; N34-F36 PolarHBondContact O-N 3.1Å; N34-Q37 WeakPolarHBondContact O-CB 3.23Å; N34-Q37 PolarHBondContact O-N 2.85Å; N34-Q37 PolarHBondContact O-OE1 3.39Å
35	M	52.5	Low	53	Low	177 Å²	177	120.5 Å²	120.5	87%	0.872	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-21.6	179	-171.4	175.4	-76.9	0	0	113
36	F	57.7	Low	52.5	Low	134 Å²	134	114.1 Å²	114.1	59%	0.588	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-0.1	175.9	-65.8	-80.4	0	0	0	114.6	N34 P38 F39 Y40	N34-F36 PolarHBondContact O-N 3.1Å; F36-P38 VanDerWaalsContact C-CD 3.48Å; F36-F39 CarbonylContact O-C 3.57Å; F36-F39 WeakPolarHBondContact O-CA 3.38Å; F36-F39 WeakPolarHBondContact O-CB 3.38Å; F36-F39 PolarHBondContact O-N 3.34Å; F36-Y40 HydrophobicContact CB-CD2 3.67Å; F36-Y40 HydrophobicContact CB-CE2 3.54Å; F36-Y40 WeakPolarHBondContact O-CD2 3.17Å; F36-Y40 PolarHBondContact O-N 3.07Å
37	Q	54.2	Low	51.6	Low	49 Å²	49	117 Å²	117	23%	0.229	56%	0.564	C	S	.	*	H	α-helix	trans	-49.9	-47.1	177.8	-133.9	97.8	-15.5	0	0	114.4	S32 N34 F39 Y40 N41	S32-Q37 PolarHBondContact O-NE2 3.4Å; S32-Q37 VanDerWaalsContact O-NE2 3.15Å; S32-Q37 PolarHBondContact O-OE1 2.95Å; S32-Q37 VanDerWaalsContact O-OE1 3.12Å; N34-Q37 WeakPolarHBondContact O-CB 3.23Å; N34-Q37 PolarHBondContact O-N 2.85Å; N34-Q37 PolarHBondContact O-OE1 3.39Å; Q37-F39 VanDerWaalsContact C-N 3.29Å; Q37-F39 PolarHBondContact O-N 2.86Å; Q37-Y40 PolarHBondContact O-N 2.04Å; Q37-N41 VanDerWaalsContact O-CB 3.29Å; Q37-N41 WeakPolarHBondContact O-CB 3.42Å; Q37-N41 PolarHBondContact O-N 3.27Å; Q37-N41 PolarHBondContact O-ND2 2.82Å
38	P	57.8	Low	50.7	Low	90 Å²	90	108.9 Å²	108.9	58%	0.584	55%	0.545	S	S	*	.	H	α-helix	trans	-65.8	-34.9	179.1	23.8	-32.1	0	0	0	111.5	F36 N41 F42	F36-P38 VanDerWaalsContact C-CD 3.48Å; P38-N41 PolarHBondContact O-N 2.88Å; P38-F42 WeakPolarHBondContact O-CB 3.49Å; P38-F42 PolarHBondContact O-N 2.88Å
39	F	58.8	Low	49.7	Very low	122 Å²	122	105.2 Å²	105.2	54%	0.535	53%	0.528	S	S	.	.	H	α-helix	trans	-68.3	-41.9	174.4	-174.8	-100.3	0	0	0	111.9	F36 Q37 F42 T43	F36-F39 CarbonylContact O-C 3.57Å; F36-F39 WeakPolarHBondContact O-CA 3.38Å; F36-F39 WeakPolarHBondContact O-CB 3.38Å; F36-F39 PolarHBondContact O-N 3.34Å; Q37-F39 VanDerWaalsContact C-N 3.29Å; Q37-F39 PolarHBondContact O-N 2.86Å; F39-F42 PolarHBondContact O-N 3.09Å; F39-T43 HydrophobicContact CD1-CG2 4.14Å; F39-T43 HydrophobicContact CD2-CG2 4.5Å; F39-T43 HydrophobicContact CE1-CG2 3.76Å; F39-T43 HydrophobicContact CE2-CG2 4.15Å; F39-T43 HydrophobicContact CG-CG2 4.5Å; F39-T43 HydrophobicContact CZ-CG2 3.77Å; F39-T43 WeakPolarHBondContact O-CB 3.24Å; F39-T43 VanDerWaalsContact O-CG2 3.29Å; F39-T43 WeakPolarHBondContact O-CG2 3.05Å; F39-T43 PolarHBondContact O-N 3.34Å; F39-T43 PolarHBondContact O-OG1 3.04Å
40	Y	53.8	Low	49.4	Very low	139 Å²	139	111.2 Å²	111.2	55%	0.545	56%	0.555	S	S	.	*	H	α-helix	trans	-67.2	-36	174.1	-78.5	-66.7	0	0	0	112.8	F36 Q37 T43 R44	F36-Y40 HydrophobicContact CB-CD2 3.67Å; F36-Y40 HydrophobicContact CB-CE2 3.54Å; F36-Y40 WeakPolarHBondContact O-CD2 3.17Å; F36-Y40 PolarHBondContact O-N 3.07Å; Q37-Y40 PolarHBondContact O-N 2.04Å; Y40-T43 VanDerWaalsContact CA-OG1 3.3Å; Y40-T43 WeakPolarHBondContact CA-OG1 3.38Å; Y40-T43 PolarHBondContact O-OG1 3.46Å; Y40-R44 WeakPolarHBondContact O-CB 3.31Å; Y40-R44 WeakPolarHBondContact O-CG 3.05Å; Y40-R44 PolarHBondContact O-N 3Å
41	N	56.9	Low	49.7	Very low	97 Å²	97	111.8 Å²	111.8	52%	0.519	55%	0.548	S	S	.	.	H	α-helix	trans	-71.6	-37.2	175.3	-72.3	-13.5	0	0	0	111.3	Q37 P38 K45	Q37-N41 VanDerWaalsContact O-CB 3.29Å; Q37-N41 WeakPolarHBondContact O-CB 3.42Å; Q37-N41 PolarHBondContact O-N 3.27Å; Q37-N41 PolarHBondContact O-ND2 2.82Å; P38-N41 PolarHBondContact O-N 2.88Å; N41-K45 WeakPolarHBondContact O-CB 3.44Å; N41-K45 PolarHBondContact O-N 2.97Å
42	F	57	Low	50	Low	126 Å²	126	107.3 Å²	107.3	55%	0.553	54%	0.535	S	S	*	.	H	α-helix	trans	-69.4	-46.9	175.1	-178.5	-105.3	0	0	0	111.6	P38 F39 K45 I46	P38-F42 WeakPolarHBondContact O-CB 3.49Å; P38-F42 PolarHBondContact O-N 2.88Å; F39-F42 PolarHBondContact O-N 3.09Å; F42-K45 PolarHBondContact O-N 2.99Å; F42-K45 VanDerWaalsContact O-N 3.12Å; F42-I46 HydrophobicContact CD1-CD1 3.67Å; F42-I46 HydrophobicContact CD2-CD1 4.06Å; F42-I46 HydrophobicContact CE1-CD1 3.22Å; F42-I46 HydrophobicContact CE2-CD1 3.64Å; F42-I46 HydrophobicContact CG-CD1 4.09Å; F42-I46 HydrophobicContact CZ-CD1 3.22Å; F42-I46 HydrophobicContact CZ-CG1 4.46Å; F42-I46 WeakPolarHBondContact O-CB 3.18Å; F42-I46 WeakPolarHBondContact O-CG1 3.27Å; F42-I46 PolarHBondContact O-N 3.01Å
43	T	53.3	Low	49.8	Very low	35 Å²	35	106.4 Å²	106.4	22%	0.215	52%	0.524	C	S	.	.	H	α-helix	trans	-65.6	-38	174.8	52.6	0	0	0	0	111.3	F39 Y40 I46 F47	F39-T43 HydrophobicContact CD1-CG2 4.14Å; F39-T43 HydrophobicContact CD2-CG2 4.5Å; F39-T43 HydrophobicContact CE1-CG2 3.76Å; F39-T43 HydrophobicContact CE2-CG2 4.15Å; F39-T43 HydrophobicContact CG-CG2 4.5Å; F39-T43 HydrophobicContact CZ-CG2 3.77Å; F39-T43 WeakPolarHBondContact O-CB 3.24Å; F39-T43 VanDerWaalsContact O-CG2 3.29Å; F39-T43 WeakPolarHBondContact O-CG2 3.05Å; F39-T43 PolarHBondContact O-N 3.34Å; F39-T43 PolarHBondContact O-OG1 3.04Å; Y40-T43 VanDerWaalsContact CA-OG1 3.3Å; Y40-T43 WeakPolarHBondContact CA-OG1 3.38Å; Y40-T43 PolarHBondContact O-OG1 3.46Å; T43-I46 PolarHBondContact O-N 3.26Å; T43-F47 VanDerWaalsContact O-CB 3.29Å; T43-F47 WeakPolarHBondContact O-CB 3.19Å; T43-F47 PolarHBondContact O-N 2.9Å
44	R	47.4	Very low	50	Low	122 Å²	122	106.6 Å²	106.6	46%	0.46	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-44.2	167.7	-88	-173.8	160.4	174.9	-1.3	111.7	Y40 I46 A48 D135	Y40-R44 WeakPolarHBondContact O-CB 3.31Å; Y40-R44 WeakPolarHBondContact O-CG 3.05Å; Y40-R44 PolarHBondContact O-N 3Å; R44-I46 VanDerWaalsContact C-N 3.27Å; R44-I46 PolarHBondContact O-N 3.08Å; R44-A48 HydrophobicContact CB-CB 4.29Å; R44-A48 HydrophobicContact CG-CB 4.16Å; R44-A48 CarbonylContact O-C 2.86Å; R44-A48 WeakPolarHBondContact O-CA 3.12Å; R44-A48 WeakPolarHBondContact O-CB 3.31Å; R44-A48 PolarHBondContact O-N 2.68Å; R44-D135 IonicContact NH2-OD2 2.8Å; R44-D135 PolarHBondContact NH2-OD2 3.41Å
45	K	50.4	Low	49.6	Very low	171 Å²	171	103.5 Å²	103.5	74%	0.743	51%	0.508	S	S	*	.	H	α-helix	trans	-65.5	-31.5	-179.4	-163.6	173.4	-175.6	-179.5	0	112.8	N41 F42	N41-K45 WeakPolarHBondContact O-CB 3.44Å; N41-K45 PolarHBondContact O-N 2.97Å; F42-K45 PolarHBondContact O-N 2.99Å; F42-K45 VanDerWaalsContact O-N 3.12Å
46	I	48.6	Very low	49.1	Very low	95 Å²	95	98.7 Å²	98.7	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-85.2	-46.1	179.4	-68.3	175.1	0	0	0	112.1	F42 T43 R44	F42-I46 HydrophobicContact CD1-CD1 3.67Å; F42-I46 HydrophobicContact CD2-CD1 4.06Å; F42-I46 HydrophobicContact CE1-CD1 3.22Å; F42-I46 HydrophobicContact CE2-CD1 3.64Å; F42-I46 HydrophobicContact CG-CD1 4.09Å; F42-I46 HydrophobicContact CZ-CD1 3.22Å; F42-I46 HydrophobicContact CZ-CG1 4.46Å; F42-I46 WeakPolarHBondContact O-CB 3.18Å; F42-I46 WeakPolarHBondContact O-CG1 3.27Å; F42-I46 PolarHBondContact O-N 3.01Å; T43-I46 PolarHBondContact O-N 3.26Å; R44-I46 VanDerWaalsContact C-N 3.27Å; R44-I46 PolarHBondContact O-N 3.08Å
47	F	42.2	Very low	48.3	Very low	172 Å²	172	101.9 Å²	101.9	75%	0.754	51%	0.512	S	S	*	.	H	α-helix	trans	-101.1	-24.1	-173.2	-69.9	-79.9	0	0	0	114.2	T43	T43-F47 VanDerWaalsContact O-CB 3.29Å; T43-F47 WeakPolarHBondContact O-CB 3.19Å; T43-F47 PolarHBondContact O-N 2.9Å
48	A	37.3	Very low	47.7	Very low	55 Å²	55	101.6 Å²	101.6	46%	0.455	52%	0.522	S	S	.	.	S	Bend	trans	-125.1	66.7	-177.3	0	0	0	0	0	110.5	R44 E50	R44-A48 HydrophobicContact CB-CB 4.29Å; R44-A48 HydrophobicContact CG-CB 4.16Å; R44-A48 CarbonylContact O-C 2.86Å; R44-A48 WeakPolarHBondContact O-CA 3.12Å; R44-A48 WeakPolarHBondContact O-CB 3.31Å; R44-A48 PolarHBondContact O-N 2.68Å; A48-E50 PolarHBondContact O-N 2.86Å
49	T	35.1	Very low	47.2	Very low	66 Å²	66	98.7 Å²	98.7	41%	0.405	50%	0.5	S	S	.	.			trans	-49.9	137	166.6	48.4	0	0	0	0	109.7	K51	T49-K51 PolarHBondContact O-N 2.97Å; T49-K51 VanDerWaalsContact O-N 3.16Å
50	E	46.2	Very low	46.5	Very low	175 Å²	175	95.2 Å²	95.2	82%	0.818	49%	0.49	S	S	*	.	S	Bend	trans	-35.8	115.7	-175.3	-74.9	167.2	123.1	0	0	112.7	A48	A48-E50 PolarHBondContact O-N 2.86Å
51	K	50.5	Low	45.7	Very low	106 Å²	106	96 Å²	96	46%	0.461	50%	0.503	S	S	.	.	S	Bend	trans	48.8	114.3	-175.8	-62.4	167.9	-177	171.8	0	112	T49 Y53 E54	T49-K51 PolarHBondContact O-N 2.97Å; T49-K51 VanDerWaalsContact O-N 3.16Å; K51-Y53 PolarHBondContact O-N 2.94Å; K51-E54 HydrophobicContact CB-CB 4.13Å; K51-E54 HydrophobicContact CB-CG 4.17Å; K51-E54 HydrophobicContact CD-CB 4.33Å; K51-E54 HydrophobicContact CD-CG 3.85Å; K51-E54 WeakPolarHBondContact CD-OE1 3.46Å; K51-E54 WeakPolarHBondContact CD-OE2 3.45Å; K51-E54 WeakPolarHBondContact CE-OE1 3.1Å; K51-E54 WeakPolarHBondContact CE-OE2 3.48Å; K51-E54 IonicContact NZ-OE1 3.45Å; K51-E54 PolarHBondContact NZ-OE1 3.12Å; K51-E54 IonicContact NZ-OE2 3.32Å; K51-E54 PolarHBondContact NZ-OE2 3.23Å; K51-E54 PolarHBondContact O-N 2.93Å
52	P	47.6	Very low	45	Very low	64 Å²	64	97.1 Å²	97.1	42%	0.416	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-6.2	-175.7	18.7	-29.3	0	0	0	115.8	L129	P52-L129 HydrophobicContact CG-CD1 3.74Å
53	Y	45.2	Very low	44.4	Very low	29 Å²	29	92.6 Å²	92.6	11%	0.114	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-13.2	-179	-82.6	-96.3	0	0	0	115.7	K51 F59 D118 W125	K51-Y53 PolarHBondContact O-N 2.94Å; Y53-F59 WeakPolarHBondContact OH-CE1 3.33Å; Y53-D118 HydrophobicContact CD1-CB 3.67Å; Y53-D118 WeakPolarHBondContact CD1-OD1 3.5Å; Y53-D118 HydrophobicContact CE1-CB 4.09Å; Y53-D118 WeakPolarHBondContact CE1-OD1 3.44Å; Y53-W125 AromaticContact CD2-CD1 3.82Å; Y53-W125 HydrophobicContact CD2-CG 4.42Å; Y53-W125 HydrophobicContact CE2-CB 3.99Å; Y53-W125 AromaticContact CE2-CD1 3.05Å; Y53-W125 AromaticContact CE2-CD2 3.91Å; Y53-W125 HydrophobicContact CE2-CD2 3.91Å; Y53-W125 AromaticContact CE2-CE2 3.86Å; Y53-W125 AromaticContact CE2-CG 3.35Å; Y53-W125 HydrophobicContact CE2-CG 3.35Å; Y53-W125 AromaticContact CE2-NE1 3.34Å; Y53-W125 VanDerWaalsContact CE2-NE1 3.34Å; Y53-W125 AromaticContact CZ-CD1 3.83Å; Y53-W125 AromaticContact CZ-CG 3.63Å; Y53-W125 WeakPolarHBondContact OH-CB 3.49Å
54	E	47.9	Very low	43.8	Very low	111 Å²	111	94.6 Å²	94.6	52%	0.519	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-10.8	-177.4	-68.8	-175.8	-164.9	0	0	113	K51 G56	K51-E54 HydrophobicContact CB-CB 4.13Å; K51-E54 HydrophobicContact CB-CG 4.17Å; K51-E54 HydrophobicContact CD-CB 4.33Å; K51-E54 HydrophobicContact CD-CG 3.85Å; K51-E54 WeakPolarHBondContact CD-OE1 3.46Å; K51-E54 WeakPolarHBondContact CD-OE2 3.45Å; K51-E54 WeakPolarHBondContact CE-OE1 3.1Å; K51-E54 WeakPolarHBondContact CE-OE2 3.48Å; K51-E54 IonicContact NZ-OE1 3.45Å; K51-E54 PolarHBondContact NZ-OE1 3.12Å; K51-E54 IonicContact NZ-OE2 3.32Å; K51-E54 PolarHBondContact NZ-OE2 3.23Å; K51-E54 PolarHBondContact O-N 2.93Å; E54-G56 VanDerWaalsContact C-N 3.34Å; E54-G56 PolarHBondContact O-N 3.09Å
55	G	42.1	Very low	43.5	Very low	39 Å²	39	90.9 Å²	90.9	40%	0.402	49%	0.494	S	S	.	.	S	Bend	trans	-80	-3.4	-178.3	0	0	0	0	0	116.1	R57	G55-R57 WeakPolarHBondContact O-CG 3.15Å; G55-R57 PolarHBondContact O-N 3.45Å
56	G	41.3	Very low	42.8	Very low	76 Å²	76	85.5 Å²	85.5	78%	0.784	49%	0.488	S	S	*	.	S	Bend	trans	59.3	11.7	-175	0	0	0	0	0	114.6	E54	E54-G56 VanDerWaalsContact C-N 3.34Å; E54-G56 PolarHBondContact O-N 3.09Å
57	R	39.9	Very low	42.2	Very low	201 Å²	201	81.4 Å²	81.4	76%	0.758	47%	0.469	S	S	*	.	S	Bend	trans	-98.9	9.9	-175.2	-72.1	-172.8	-172.3	-156.7	1.4	114.3	G55	G55-R57 WeakPolarHBondContact O-CG 3.15Å; G55-R57 PolarHBondContact O-N 3.45Å
58	G	43.6	Very low	42.1	Very low	43 Å²	43	76.3 Å²	76.3	44%	0.443	45%	0.449	S	S	.	.			trans	65	178.7	-178.6	0	0	0	0	0	112.7
59	F	46.2	Very low	42	Very low	28 Å²	28	80.5 Å²	80.5	12%	0.123	46%	0.458	C	S	.	.	S	Bend	trans	-44.5	151	178.4	-67.8	-83.7	0	0	0	112.9	Y53 L61 I64 F105 T117 W125	Y53-F59 WeakPolarHBondContact OH-CE1 3.33Å; F59-L61 PolarHBondContact O-N 3.32Å; F59-I64 HydrophobicContact CB-CG1 4.22Å; F59-I64 WeakPolarHBondContact O-CD1 2.94Å; F59-I64 WeakPolarHBondContact O-CG1 3.38Å; F59-F105 HydrophobicContact CE1-CE1 4.27Å; F59-F105 HydrophobicContact CE1-CE2 4.2Å; F59-F105 AromaticContact CE1-CZ 3.44Å; F59-F105 HydrophobicContact CE1-CZ 3.44Å; F59-F105 VanDerWaalsContact CE1-CZ 3.44Å; F59-F105 AromaticContact CZ-CZ 3.72Å; F59-F105 HydrophobicContact CZ-CZ 3.72Å; F59-T117 HydrophobicContact CZ-CG2 4.46Å; F59-W125 HydrophobicContact CD1-CE3 4.22Å; F59-W125 AromaticContact CD1-CH2 3.67Å; F59-W125 HydrophobicContact CD1-CH2 3.67Å; F59-W125 HydrophobicContact CD1-CZ2 4.09Å; F59-W125 AromaticContact CD1-CZ3 3.78Å; F59-W125 HydrophobicContact CD1-CZ3 3.78Å; F59-W125 HydrophobicContact CE1-CD2 4.33Å; F59-W125 AromaticContact CE1-CE3 3.91Å; F59-W125 HydrophobicContact CE1-CE3 3.91Å; F59-W125 HydrophobicContact CE1-CH2 4.19Å; F59-W125 AromaticContact CE1-CZ3 3.83Å; F59-W125 HydrophobicContact CE1-CZ3 3.83Å
60	P	44.2	Very low	42	Very low	50 Å²	50	81.7 Å²	81.7	33%	0.325	46%	0.461	S	S	.	.			trans	-54.7	144.7	165.3	25.3	-33.1	0	0	0	108.9	T62 Y63 I64 W125	P60-T62 PolarHBondContact O-N 3.19Å; P60-Y63 CarbonylContact O-C 3.56Å; P60-Y63 PolarHBondContact O-N 3.45Å; P60-I64 PolarHBondContact O-N 3.38Å; P60-W125 HydrophobicContact CG-CH2 4.33Å; P60-W125 HydrophobicContact CG-CZ2 3.88Å
61	L	37.2	Very low	41.7	Very low	156 Å²	156	77.3 Å²	77.3	82%	0.817	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45	-24	-177.3	-89.8	149.1	0	0	0	115.1	F59 Y63 I64	F59-L61 PolarHBondContact O-N 3.32Å; L61-Y63 VanDerWaalsContact C-N 3.27Å; L61-Y63 PolarHBondContact O-N 2.91Å; L61-I64 HydrophobicContact CD2-CD1 4.08Å; L61-I64 HydrophobicContact CG-CD1 3.93Å
62	T	42.6	Very low	41.5	Very low	120 Å²	120	82.4 Å²	82.4	74%	0.736	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.2	175.1	53.9	0	0	0	0	114.4	P60	P60-T62 PolarHBondContact O-N 3.19Å
63	Y	44.2	Very low	41.1	Very low	30 Å²	30	80.8 Å²	80.8	12%	0.118	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-2.5	177	-79.2	-92.9	0	0	0	113.3	P60 L61 S65 Q90 W125 L128 Q132	P60-Y63 CarbonylContact O-C 3.56Å; P60-Y63 PolarHBondContact O-N 3.45Å; L61-Y63 VanDerWaalsContact C-N 3.27Å; L61-Y63 PolarHBondContact O-N 2.91Å; Y63-S65 VanDerWaalsContact C-N 3.35Å; Y63-S65 PolarHBondContact O-N 2.69Å; Y63-Q90 PolarHBondContact OH-NE2 3.02Å; Y63-Q90 PolarHBondContact OH-OE1 3.4Å; Y63-Q90 VanDerWaalsContact OH-OE1 3.09Å; Y63-W125 AromaticContact CD1-CH2 3.88Å; Y63-W125 HydrophobicContact CD1-CH2 3.88Å; Y63-W125 AromaticContact CD1-CZ3 3.7Å; Y63-W125 HydrophobicContact CD1-CZ3 3.7Å; Y63-W125 AromaticContact CD2-CH2 3.3Å; Y63-W125 HydrophobicContact CD2-CH2 3.3Å; Y63-W125 HydrophobicContact CD2-CZ2 4.27Å; Y63-W125 AromaticContact CD2-CZ3 3.96Å; Y63-W125 HydrophobicContact CD2-CZ3 3.96Å; Y63-W125 HydrophobicContact CE1-CH2 4.16Å; Y63-W125 AromaticContact CE1-CZ3 3.79Å; Y63-W125 HydrophobicContact CE1-CZ3 3.79Å; Y63-W125 AromaticContact CE2-CH2 3.55Å; Y63-W125 HydrophobicContact CE2-CH2 3.55Å; Y63-W125 HydrophobicContact CE2-CZ2 4.46Å; Y63-W125 AromaticContact CE2-CZ3 3.96Å; Y63-W125 HydrophobicContact CE2-CZ3 3.96Å; Y63-W125 AromaticContact CG-CH2 3.38Å; Y63-W125 HydrophobicContact CG-CH2 3.38Å; Y63-W125 AromaticContact CG-CZ3 3.73Å; Y63-W125 HydrophobicContact CG-CZ3 3.73Å; Y63-W125 AromaticContact CZ-CH2 3.93Å; Y63-W125 AromaticContact CZ-CZ3 3.83Å; Y63-L128 HydrophobicContact CE1-CD2 4.11Å; Y63-L128 WeakPolarHBondContact OH-CD2 3.14Å; Y63-L128 WeakPolarHBondContact OH-CG 3.11Å; Y63-Q132 PolarHBondContact OH-NE2 3.15Å
64	I	40.2	Very low	41.2	Very low	78 Å²	78	88.4 Å²	88.4	40%	0.4	48%	0.48	S	S	.	.	S	Bend	trans	-53	117.4	158.4	-64.2	-178.1	0	0	0	104.2	F59 P60 L61 G66	F59-I64 HydrophobicContact CB-CG1 4.22Å; F59-I64 WeakPolarHBondContact O-CD1 2.94Å; F59-I64 WeakPolarHBondContact O-CG1 3.38Å; P60-I64 PolarHBondContact O-N 3.38Å; L61-I64 HydrophobicContact CD2-CD1 4.08Å; L61-I64 HydrophobicContact CG-CD1 3.93Å; I64-G66 PolarHBondContact O-N 2.97Å
65	S	40.9	Very low	41.1	Very low	43 Å²	43	88.9 Å²	88.9	30%	0.301	49%	0.485	S	S	.	.			trans	-59	71.9	168.2	62.4	0	0	0	0	108.8	Y63 G67 N68	Y63-S65 VanDerWaalsContact C-N 3.35Å; Y63-S65 PolarHBondContact O-N 2.69Å; S65-G67 VanDerWaalsContact CA-N 3.35Å; S65-G67 PolarHBondContact O-N 3.34Å; S65-G67 VanDerWaalsContact O-N 3.12Å; S65-N68 WeakPolarHBondContact CB-ND2 3.46Å; S65-N68 PolarHBondContact O-N 3.42Å; S65-N68 VanDerWaalsContact OG-CB 3.31Å; S65-N68 WeakPolarHBondContact OG-CB 3.44Å; S65-N68 PolarHBondContact OG-ND2 3.41Å
66	G	35	Very low	41.5	Very low	59 Å²	59	93.2 Å²	93.2	61%	0.608	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-18.6	142.9	0	0	0	0	0	109.5	I64 L70	I64-G66 PolarHBondContact O-N 2.97Å; G66-L70 WeakPolarHBondContact O-CD1 3.36Å
67	G	36.5	Very low	41.8	Very low	9 Å²	9	92.3 Å²	92.3	9%	0.093	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-7.3	166.1	0	0	0	0	0	119.1	S65 F69 L70 H71	S65-G67 VanDerWaalsContact CA-N 3.35Å; S65-G67 PolarHBondContact O-N 3.34Å; S65-G67 VanDerWaalsContact O-N 3.12Å; G67-F69 VanDerWaalsContact C-N 3.29Å; G67-F69 PolarHBondContact O-N 3.3Å; G67-L70 CarbonylContact O-C 3.46Å; G67-L70 PolarHBondContact O-N 2.95Å; G67-H71 VanDerWaalsContact O-CB 3.27Å; G67-H71 WeakPolarHBondContact O-CB 3.02Å; G67-H71 PolarHBondContact O-CD2 2.98Å; G67-H71 PolarHBondContact O-N 3.08Å
68	N	40.6	Very low	42.3	Very low	64 Å²	64	87 Å²	87	34%	0.342	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-21.4	-177.4	-94.7	-9.8	0	0	0	113	S65 I114	S65-N68 WeakPolarHBondContact CB-ND2 3.46Å; S65-N68 PolarHBondContact O-N 3.42Å; S65-N68 VanDerWaalsContact OG-CB 3.31Å; S65-N68 WeakPolarHBondContact OG-CB 3.44Å; S65-N68 PolarHBondContact OG-ND2 3.41Å; N68-I114 WeakPolarHBondContact ND2-CD1 3.33Å; N68-I114 VanDerWaalsContact ND2-CG1 3.33Å; N68-I114 WeakPolarHBondContact ND2-CG1 3.2Å; N68-I114 WeakPolarHBondContact OD1-CD1 3.47Å
69	F	34.9	Very low	42.5	Very low	143 Å²	143	88.3 Å²	88.3	63%	0.627	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-20.6	166.5	-167.4	-94.8	0	0	0	112.3	G67 F74	G67-F69 VanDerWaalsContact C-N 3.29Å; G67-F69 PolarHBondContact O-N 3.3Å; F69-F74 HydrophobicContact CD2-CE2 4.35Å; F69-F74 HydrophobicContact CE2-CD2 4.18Å; F69-F74 AromaticContact CE2-CE2 3.46Å; F69-F74 HydrophobicContact CE2-CE2 3.46Å; F69-F74 VanDerWaalsContact CE2-CE2 3.46Å; F69-F74 HydrophobicContact CE2-CZ 4.25Å; F69-F74 HydrophobicContact CZ-CD2 4.27Å; F69-F74 AromaticContact CZ-CE2 3.93Å; F69-F74 HydrophobicContact CZ-CE2 3.93Å
70	L	36.4	Very low	42.6	Very low	91 Å²	91	90.9 Å²	90.9	48%	0.476	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-23.6	-177	-69.9	163.5	0	0	0	113.6	G66 G67 P73 T84	G66-L70 WeakPolarHBondContact O-CD1 3.36Å; G67-L70 CarbonylContact O-C 3.46Å; G67-L70 PolarHBondContact O-N 2.95Å; L70-P73 WeakPolarHBondContact O-CD 3.27Å; L70-T84 HydrophobicContact CB-CG2 3.76Å; L70-T84 HydrophobicContact CD2-CG2 4.23Å; L70-T84 WeakPolarHBondContact O-CG2 3.31Å; L70-T84 PolarHBondContact O-OG1 2.72Å
71	H	38.1	Very low	42.5	Very low	83 Å²	83	92.6 Å²	92.6	38%	0.384	49%	0.494	S	S	.	.	S	Bend	trans	-81.3	-19.9	177.5	-94.7	-74.6	0	0	0	112.5	G67 T88	G67-H71 VanDerWaalsContact O-CB 3.27Å; G67-H71 WeakPolarHBondContact O-CB 3.02Å; G67-H71 PolarHBondContact O-CD2 2.98Å; G67-H71 PolarHBondContact O-N 3.08Å; H71-T88 PolarHBondContact NE2-OG1 3.41Å; H71-T88 VanDerWaalsContact NE2-OG1 3.08Å
72	R	46.1	Very low	42.8	Very low	214 Å²	214	91.8 Å²	91.8	81%	0.808	49%	0.488	S	S	*	.	S	Bend	trans	-136.1	81.7	165	-95.9	-177	170.5	-173.3	-2.9	107.6	F74	R72-F74 PolarHBondContact O-N 2.81Å
73	P	39.5	Very low	42.8	Very low	29 Å²	29	90.5 Å²	90.5	19%	0.188	48%	0.481	C	S	.	.			trans	-50.5	140.9	159	24.2	-33.3	0	0	0	107.8	L70 I75 L80	L70-P73 WeakPolarHBondContact O-CD 3.27Å; P73-I75 VanDerWaalsContact CB-O 3.31Å; P73-I75 WeakPolarHBondContact CB-O 3.48Å; P73-I75 WeakPolarHBondContact CG-O 3.47Å; P73-I75 PolarHBondContact O-N 3.11Å; P73-L80 HydrophobicContact CG-CB 4.45Å
74	F	47	Very low	43.1	Very low	189 Å²	189	89.9 Å²	89.9	83%	0.829	48%	0.48	S	S	*	.	S	Bend	trans	-54.3	-15	171	-66.4	-72.8	0	0	0	112.5	F69 R72	F69-F74 HydrophobicContact CD2-CE2 4.35Å; F69-F74 HydrophobicContact CE2-CD2 4.18Å; F69-F74 AromaticContact CE2-CE2 3.46Å; F69-F74 HydrophobicContact CE2-CE2 3.46Å; F69-F74 VanDerWaalsContact CE2-CE2 3.46Å; F69-F74 HydrophobicContact CE2-CZ 4.25Å; F69-F74 HydrophobicContact CZ-CD2 4.27Å; F69-F74 AromaticContact CZ-CE2 3.93Å; F69-F74 HydrophobicContact CZ-CE2 3.93Å; R72-F74 PolarHBondContact O-N 2.81Å
75	I	45.8	Very low	43.7	Very low	121 Å²	121	88.9 Å²	88.9	62%	0.621	48%	0.48	S	S	*	.	S	Bend	trans	-112.3	110.6	179.6	-48	176.4	0	0	0	107.6	P73 V77	P73-I75 VanDerWaalsContact CB-O 3.31Å; P73-I75 WeakPolarHBondContact CB-O 3.48Å; P73-I75 WeakPolarHBondContact CG-O 3.47Å; P73-I75 PolarHBondContact O-N 3.11Å; I75-V77 HydrophobicContact CB-CG2 4.27Å; I75-V77 HydrophobicContact CG2-CG2 3.56Å; I75-V77 PolarHBondContact O-N 3.15Å
76	D	50.7	Low	43.9	Very low	131 Å²	131	95.6 Å²	95.6	70%	0.701	50%	0.499	S	S	*	.			trans	-73.9	68.8	-175.4	-139.3	-1.5	0	0	0	111.3	P78 Q81	D76-P78 WeakPolarHBondContact O-CD 3.45Å; D76-Q81 PolarHBondContact OD1-NE2 3.07Å
77	V	49.2	Very low	44.4	Very low	56 Å²	56	100.3 Å²	100.3	34%	0.339	50%	0.503	S	S	.	.			trans	-96.1	113.7	177.6	-164.6	0	0	0	0	109	I75 A79 L80	I75-V77 HydrophobicContact CB-CG2 4.27Å; I75-V77 HydrophobicContact CG2-CG2 3.56Å; I75-V77 PolarHBondContact O-N 3.15Å; V77-A79 HydrophobicContact CG1-CB 4.3Å; V77-A79 PolarHBondContact O-N 3.04Å; V77-A79 VanDerWaalsContact O-N 3.08Å; V77-L80 HydrophobicContact CB-CB 4.47Å; V77-L80 HydrophobicContact CB-CD1 4.04Å; V77-L80 HydrophobicContact CG2-CD1 4.14Å; V77-L80 PolarHBondContact O-N 3.04Å
78	P	50.1	Low	45.4	Very low	89 Å²	89	102.6 Å²	102.6	58%	0.578	52%	0.515	S	S	*	.	H	α-helix	trans	-61.4	-22.9	-176.3	21.5	-31.9	0	0	0	113.6	D76 Q81	D76-P78 WeakPolarHBondContact O-CD 3.45Å; P78-Q81 PolarHBondContact O-N 3.48Å
79	A	47.7	Very low	46.1	Very low	71 Å²	71	102.1 Å²	102.1	59%	0.587	51%	0.511	S	S	*	.	H	α-helix	trans	-71.6	-29.8	175.4	0	0	0	0	0	113.7	V77 Q81	V77-A79 HydrophobicContact CG1-CB 4.3Å; V77-A79 PolarHBondContact O-N 3.04Å; V77-A79 VanDerWaalsContact O-N 3.08Å; A79-Q81 VanDerWaalsContact C-N 3.35Å
80	L	47	Very low	47.2	Very low	83 Å²	83	97.4 Å²	97.4	44%	0.435	49%	0.491	S	S	.	.	H	α-helix	trans	-77.2	-23.2	176.7	-84.1	161.5	0	0	0	112.1	P73 V77 T83 T84	P73-L80 HydrophobicContact CG-CB 4.45Å; V77-L80 HydrophobicContact CB-CB 4.47Å; V77-L80 HydrophobicContact CB-CD1 4.04Å; V77-L80 HydrophobicContact CG2-CD1 4.14Å; V77-L80 PolarHBondContact O-N 3.04Å; L80-T83 PolarHBondContact O-OG1 3.48Å; L80-T84 VanDerWaalsContact O-CG2 3.22Å; L80-T84 WeakPolarHBondContact O-CG2 3.38Å; L80-T84 PolarHBondContact O-N 3.3Å; L80-T84 PolarHBondContact O-OG1 3Å
81	Q	43.7	Very low	47.8	Very low	85 Å²	85	97 Å²	97	40%	0.397	49%	0.489	S	S	.	.	H	α-helix	trans	-69	-33.9	176.4	-64.6	178.9	-8.7	0	0	111.9	D76 P78 A79 T84 S85	D76-Q81 PolarHBondContact OD1-NE2 3.07Å; P78-Q81 PolarHBondContact O-N 3.48Å; A79-Q81 VanDerWaalsContact C-N 3.35Å; Q81-T84 PolarHBondContact O-OG1 3.23Å; Q81-T84 VanDerWaalsContact O-OG1 3.11Å; Q81-S85 VanDerWaalsContact O-CB 3.31Å; Q81-S85 WeakPolarHBondContact O-CB 3.31Å; Q81-S85 PolarHBondContact O-N 2.72Å; Q81-S85 PolarHBondContact O-OG 3.02Å
82	M	42.1	Very low	48.2	Very low	140 Å²	140	95.9 Å²	95.9	69%	0.69	49%	0.488	S	S	*	.	H	α-helix	trans	-71.8	-39.1	-177.9	-64.3	-148.8	-159.3	0	0	113.5	T84 S85 W86	M82-T84 VanDerWaalsContact C-N 3.32Å; M82-S85 PolarHBondContact O-OG 2.64Å; M82-W86 PolarHBondContact O-N 3.48Å
83	T	43.5	Very low	48	Very low	93 Å²	93	94 Å²	94	57%	0.571	49%	0.486	S	S	*	.	H	α-helix	trans	-73.6	-28.8	-179.3	58.3	0	0	0	0	111.9	L80	L80-T83 PolarHBondContact O-OG1 3.48Å
84	T	49.6	Very low	48.5	Very low	16 Å²	16	97.6 Å²	97.6	10%	0.098	50%	0.504	C	S	.	.	H	α-helix	trans	-86.3	-27.7	-179	55.9	0	0	0	0	112.4	L70 L80 Q81 M82 T88	L70-T84 HydrophobicContact CB-CG2 3.76Å; L70-T84 HydrophobicContact CD2-CG2 4.23Å; L70-T84 WeakPolarHBondContact O-CG2 3.31Å; L70-T84 PolarHBondContact O-OG1 2.72Å; L80-T84 VanDerWaalsContact O-CG2 3.22Å; L80-T84 WeakPolarHBondContact O-CG2 3.38Å; L80-T84 PolarHBondContact O-N 3.3Å; L80-T84 PolarHBondContact O-OG1 3Å; Q81-T84 PolarHBondContact O-OG1 3.23Å; Q81-T84 VanDerWaalsContact O-OG1 3.11Å; M82-T84 VanDerWaalsContact C-N 3.32Å; T84-T88 WeakPolarHBondContact O-CB 2.97Å; T84-T88 WeakPolarHBondContact O-CG2 3.39Å; T84-T88 PolarHBondContact O-OG1 3.32Å
85	S	52.9	Low	48.7	Very low	57 Å²	57	93 Å²	93	40%	0.399	50%	0.496	S	S	.	.	H	α-helix	trans	-77.4	-32	175.2	63.9	0	0	0	0	114.1	Q81 M82 T88	Q81-S85 VanDerWaalsContact O-CB 3.31Å; Q81-S85 WeakPolarHBondContact O-CB 3.31Å; Q81-S85 PolarHBondContact O-N 2.72Å; Q81-S85 PolarHBondContact O-OG 3.02Å; M82-S85 PolarHBondContact O-OG 2.64Å; S85-T88 PolarHBondContact O-OG1 2.93Å
86	W	46.4	Very low	49.4	Very low	185 Å²	185	96.7 Å²	96.7	70%	0.701	50%	0.501	S	S	*	.	H	α-helix	trans	-68	-48.3	-174.6	-166.1	-30.4	0	0	0	111.7	M82	M82-W86 PolarHBondContact O-N 3.48Å
87	F	44.2	Very low	50.3	Low	158 Å²	158	97.9 Å²	97.9	69%	0.693	50%	0.501	S	S	*	.	H	α-helix	trans	-82.6	-13.2	-173.8	-100.4	-86	0	0	0	114.9
88	T	56.9	Low	51.7	Low	56 Å²	56	95.6 Å²	95.6	34%	0.344	49%	0.487	S	S	.	.	H	α-helix	trans	-90.3	-14.3	-175.1	51.2	0	0	0	0	113.9	H71 T84 S85	H71-T88 PolarHBondContact NE2-OG1 3.41Å; H71-T88 VanDerWaalsContact NE2-OG1 3.08Å; T84-T88 WeakPolarHBondContact O-CB 2.97Å; T84-T88 WeakPolarHBondContact O-CG2 3.39Å; T84-T88 PolarHBondContact O-OG1 3.32Å; S85-T88 PolarHBondContact O-OG1 2.93Å
89	M	57	Low	52.8	Low	54 Å²	54	94.2 Å²	94.2	27%	0.266	47%	0.473	S	S	.	.	S	Bend	trans	-92.3	140.8	168	-57.9	-165.9	77.4	0	0	109.1	N91 E102 F106	M89-N91 PolarHBondContact O-N 3.37Å; M89-E102 WeakPolarHBondContact CA-OE1 3.05Å; M89-F106 HydrophobicContact CE-CD2 3.74Å; M89-F106 HydrophobicContact CE-CE2 4.06Å; M89-F106 HydrophobicContact CG-CE2 4.14Å
90	Q	57.9	Low	54.3	Low	44 Å²	44	94.9 Å²	94.9	21%	0.206	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-66.1	17.4	-176.6	-68.7	178.2	-16.2	0	0	115.4	Y63 V92 E102	Y63-Q90 PolarHBondContact OH-NE2 3.02Å; Y63-Q90 PolarHBondContact OH-OE1 3.4Å; Y63-Q90 VanDerWaalsContact OH-OE1 3.09Å; Q90-V92 PolarHBondContact O-N 2.66Å; Q90-E102 WeakPolarHBondContact CB-OE1 3.5Å; Q90-E102 WeakPolarHBondContact CB-OE2 3.25Å; Q90-E102 VanDerWaalsContact CG-OE1 3.28Å; Q90-E102 WeakPolarHBondContact CG-OE1 3.18Å; Q90-E102 VanDerWaalsContact N-CD 3.34Å; Q90-E102 PolarHBondContact N-OE1 3.28Å; Q90-E102 PolarHBondContact N-OE2 2.89Å; Q90-E102 VanDerWaalsContact N-OE2 3.14Å
91	N	47.9	Very low	56	Low	82 Å²	82	93.5 Å²	93.5	44%	0.439	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-57	-18.8	178.9	-88.3	-16	0	0	0	114.7	M89 Q99	M89-N91 PolarHBondContact O-N 3.37Å; N91-Q99 PolarHBondContact OD1-NE2 2.92Å
92	V	47.7	Very low	57.7	Low	61 Å²	61	89.5 Å²	89.5	37%	0.37	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-90.9	-29.1	-169.1	-167.4	0	0	0	0	112.9	Q90	Q90-V92 PolarHBondContact O-N 2.66Å
93	F	42.2	Very low	59.4	Low	175 Å²	175	87.4 Å²	87.4	77%	0.768	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.4	-6.5	-165.7	-63.7	-68.8	0	0	0	117.2
94	N	49.6	Very low	61.3	Low	103 Å²	103	83.9 Å²	83.9	55%	0.551	40%	0.401	S	S	*	.	S	Bend	trans	-127	144.8	178.4	-76.4	-34.9	0	0	0	112.8
95	S	51.1	Low	62.9	Low	94 Å²	94	83.3 Å²	83.3	66%	0.657	40%	0.397	S	S	*	.			trans	-51.5	139.7	-169.2	59	0	0	0	0	114.3	F97 C98	S95-F97 PolarHBondContact O-N 3.24Å; S95-C98 PolarHBondContact O-N 2.89Å
96	R	59.7	Low	64.3	Low	197 Å²	197	83.5 Å²	83.5	74%	0.743	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40	-23.9	-178	-68.3	-179.4	176.1	169.8	-0.8	116.6	Q99	R96-Q99 VanDerWaalsContact O-CB 3.31Å; R96-Q99 WeakPolarHBondContact O-CB 3.45Å; R96-Q99 PolarHBondContact O-N 3.36Å
97	F	69.8	Low	66.1	Low	156 Å²	156	80.3 Å²	80.3	68%	0.684	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-38.2	-177.4	-167.3	-103.5	0	0	0	113.7	S95 Q99	S95-F97 PolarHBondContact O-N 3.24Å; F97-Q99 PolarHBondContact O-N 3.01Å
98	C	78.1	Confident	68	Low	8 Å²	8	73 Å²	73	5%	0.054	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.2	-177.7	-160.5	0	0	0	0	113.1	S95 I100 M101 E102 L128 C131	S95-C98 PolarHBondContact O-N 2.89Å; C98-I100 VanDerWaalsContact C-N 3.26Å; C98-I100 PolarHBondContact O-N 3.43Å; C98-M101 PolarHBondContact O-N 3.47Å; C98-M101 VanDerWaalsContact O-N 3.16Å; C98-E102 PolarHBondContact O-N 3.46Å; C98-L128 VanDerWaalsContact SG-CD1 3.56Å; C98-C131 VanDerWaalsContact CA-SG 3.56Å; C98-C131 HydrophobicContact CB-CB 4.44Å; C98-C131 VanDerWaalsContact CB-SG 3.56Å
99	Q	73.3	Confident	69.2	Low	60 Å²	60	71.4 Å²	71.4	28%	0.28	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-31.7	-174.3	-165.2	-172	21.8	0	0	113.3	N91 R96 F97 R103	N91-Q99 PolarHBondContact OD1-NE2 2.92Å; R96-Q99 VanDerWaalsContact O-CB 3.31Å; R96-Q99 WeakPolarHBondContact O-CB 3.45Å; R96-Q99 PolarHBondContact O-N 3.36Å; F97-Q99 PolarHBondContact O-N 3.01Å; Q99-R103 WeakPolarHBondContact O-CB 3.45Å; Q99-R103 PolarHBondContact O-N 3.22Å
100	I	80.6	Confident	70.4	Confident	85 Å²	85	73.1 Å²	73.1	44%	0.436	36%	0.36	S	S	.	.	H	α-helix	trans	-67.7	-46.6	178.8	-60.6	173.2	0	0	0	109.7	C98 E102 R103 D104	C98-I100 VanDerWaalsContact C-N 3.26Å; C98-I100 PolarHBondContact O-N 3.43Å; I100-E102 VanDerWaalsContact C-N 3.32Å; I100-E102 PolarHBondContact O-N 2.72Å; I100-R103 PolarHBondContact O-N 3.02Å; I100-D104 PolarHBondContact O-N 3.01Å; I100-D104 VanDerWaalsContact O-N 3.07Å
101	M	81.8	Confident	71.3	Confident	54 Å²	54	77.6 Å²	77.6	27%	0.266	38%	0.375	S	S	.	.	H	α-helix	trans	-66.7	-37.5	179.5	-53.2	-49	-78.9	0	0	111.3	C98 D104 F105 D127 L128	C98-M101 PolarHBondContact O-N 3.47Å; C98-M101 VanDerWaalsContact O-N 3.16Å; M101-D104 PolarHBondContact O-N 2.78Å; M101-F105 WeakPolarHBondContact O-CB 3.28Å; M101-F105 PolarHBondContact O-N 3.18Å; M101-D127 HydrophobicContact CE-CB 3.3Å; M101-L128 HydrophobicContact CB-CD1 4.19Å
102	E	78.8	Confident	72.7	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.009	36%	0.363	C	S	.	.	H	α-helix	trans	-63.4	-44.1	175.6	-174.2	177.6	-152.6	0	0	111.5	M89 Q90 C98 I100 D104 F105 F106 L128	M89-E102 WeakPolarHBondContact CA-OE1 3.05Å; Q90-E102 WeakPolarHBondContact CB-OE1 3.5Å; Q90-E102 WeakPolarHBondContact CB-OE2 3.25Å; Q90-E102 VanDerWaalsContact CG-OE1 3.28Å; Q90-E102 WeakPolarHBondContact CG-OE1 3.18Å; Q90-E102 VanDerWaalsContact N-CD 3.34Å; Q90-E102 PolarHBondContact N-OE1 3.28Å; Q90-E102 PolarHBondContact N-OE2 2.89Å; Q90-E102 VanDerWaalsContact N-OE2 3.14Å; C98-E102 PolarHBondContact O-N 3.46Å; I100-E102 VanDerWaalsContact C-N 3.32Å; I100-E102 PolarHBondContact O-N 2.72Å; E102-D104 VanDerWaalsContact C-N 3.33Å; E102-D104 PolarHBondContact O-N 3.16Å; E102-F105 WeakPolarHBondContact O-CB 3.43Å; E102-F105 PolarHBondContact O-N 3.37Å; E102-F106 HydrophobicContact CG-CD2 3.73Å; E102-F106 HydrophobicContact CG-CE2 3.43Å; E102-F106 VanDerWaalsContact CG-CE2 3.43Å; E102-F106 WeakPolarHBondContact O-CD2 3.33Å; E102-F106 PolarHBondContact O-N 3.16Å; E102-L128 HydrophobicContact CB-CD1 3.72Å; E102-L128 HydrophobicContact CG-CD1 4.41Å
103	R	77.9	Confident	74.1	Confident	96 Å²	96	73.7 Å²	73.7	36%	0.362	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-41.9	176.6	-172.8	-176.7	-63	120.7	0.5	111.7	Q99 I100 F106 R107	Q99-R103 WeakPolarHBondContact O-CB 3.45Å; Q99-R103 PolarHBondContact O-N 3.22Å; I100-R103 PolarHBondContact O-N 3.02Å; R103-F106 PolarHBondContact O-N 3.36Å; R103-R107 WeakPolarHBondContact O-CB 3.12Å; R103-R107 VanDerWaalsContact O-CG 3.27Å; R103-R107 WeakPolarHBondContact O-CG 3.47Å; R103-R107 PolarHBondContact O-N 3.46Å
104	D	83.4	Confident	75.6	Confident	18 Å²	18	69.1 Å²	69.1	10%	0.096	34%	0.344	C	S	.	.	H	α-helix	trans	-69.8	-35.5	179.4	-70.4	-20	0	0	0	112.1	V7 I100 M101 E102 R107 C108 Y124	V7-D104 WeakPolarHBondContact CG2-OD1 3.41Å; I100-D104 PolarHBondContact O-N 3.01Å; I100-D104 VanDerWaalsContact O-N 3.07Å; M101-D104 PolarHBondContact O-N 2.78Å; E102-D104 VanDerWaalsContact C-N 3.33Å; E102-D104 PolarHBondContact O-N 3.16Å; D104-R107 PolarHBondContact O-N 2.76Å; D104-R107 IonicContact OD1-NH1 3.05Å; D104-R107 PolarHBondContact OD1-NH1 3.39Å; D104-R107 VanDerWaalsContact OD1-NH1 3.15Å; D104-C108 PolarHBondContact O-N 2.79Å; D104-C108 VanDerWaalsContact O-N 3.07Å; D104-Y124 HydrophobicContact CB-CD1 3.93Å; D104-Y124 HydrophobicContact CB-CE1 4.06Å
105	F	84.5	Confident	76.7	Confident	4 Å²	4	72.8 Å²	72.8	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-59.6	-52	170	175.3	-103.9	0	0	0	111.6	F59 M101 E102 R107 C108 V109 C121 W125 L128	F59-F105 HydrophobicContact CE1-CE1 4.27Å; F59-F105 HydrophobicContact CE1-CE2 4.2Å; F59-F105 AromaticContact CE1-CZ 3.44Å; F59-F105 HydrophobicContact CE1-CZ 3.44Å; F59-F105 VanDerWaalsContact CE1-CZ 3.44Å; F59-F105 AromaticContact CZ-CZ 3.72Å; F59-F105 HydrophobicContact CZ-CZ 3.72Å; M101-F105 WeakPolarHBondContact O-CB 3.28Å; M101-F105 PolarHBondContact O-N 3.18Å; E102-F105 WeakPolarHBondContact O-CB 3.43Å; E102-F105 PolarHBondContact O-N 3.37Å; F105-R107 VanDerWaalsContact C-N 3.31Å; F105-R107 PolarHBondContact O-N 3.43Å; F105-C108 WeakPolarHBondContact O-CB 3.22Å; F105-C108 PolarHBondContact O-N 3.43Å; F105-V109 HydrophobicContact CD1-CG2 4.13Å; F105-V109 HydrophobicContact CD2-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 3.59Å; F105-V109 HydrophobicContact CE2-CG2 3.79Å; F105-V109 HydrophobicContact CG-CG2 4.44Å; F105-V109 HydrophobicContact CZ-CG2 3.37Å; F105-V109 WeakPolarHBondContact O-CG2 3.31Å; F105-V109 PolarHBondContact O-N 2.83Å; F105-C121 HydrophobicContact CD2-CB 4.43Å; F105-C121 HydrophobicContact CE2-CB 4.18Å; F105-W125 HydrophobicContact CD1-CE3 4.22Å; F105-W125 HydrophobicContact CD1-CZ3 4.46Å; F105-W125 HydrophobicContact CD2-CB 4.06Å; F105-W125 AromaticContact CD2-CE3 3.98Å; F105-W125 HydrophobicContact CD2-CE3 3.98Å; F105-W125 AromaticContact CE1-CE3 3.85Å; F105-W125 HydrophobicContact CE1-CE3 3.85Å; F105-W125 AromaticContact CE1-CZ3 3.95Å; F105-W125 HydrophobicContact CE1-CZ3 3.95Å; F105-W125 HydrophobicContact CE2-CB 3.96Å; F105-W125 HydrophobicContact CE2-CD2 4.34Å; F105-W125 AromaticContact CE2-CE3 3.61Å; F105-W125 HydrophobicContact CE2-CE3 3.61Å; F105-W125 HydrophobicContact CE2-CZ3 4.47Å; F105-W125 HydrophobicContact CG-CE3 4.29Å; F105-W125 AromaticContact CZ-CE3 3.56Å; F105-W125 HydrophobicContact CZ-CE3 3.56Å; F105-W125 AromaticContact CZ-CZ3 3.98Å; F105-W125 HydrophobicContact CZ-CZ3 3.98Å; F105-L128 HydrophobicContact CB-CD2 4.28Å; F105-L128 HydrophobicContact CD1-CD2 4.21Å; F105-L128 HydrophobicContact CG-CD2 4.22Å
106	F	82.3	Confident	77.9	Confident	61 Å²	61	71.5 Å²	71.5	27%	0.268	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-33.4	179.3	-75.7	-61.6	0	0	0	113.4	M89 E102 R103 C108 V109 A110	M89-F106 HydrophobicContact CE-CD2 3.74Å; M89-F106 HydrophobicContact CE-CE2 4.06Å; M89-F106 HydrophobicContact CG-CE2 4.14Å; E102-F106 HydrophobicContact CG-CD2 3.73Å; E102-F106 HydrophobicContact CG-CE2 3.43Å; E102-F106 VanDerWaalsContact CG-CE2 3.43Å; E102-F106 WeakPolarHBondContact O-CD2 3.33Å; E102-F106 PolarHBondContact O-N 3.16Å; R103-F106 PolarHBondContact O-N 3.36Å; F106-C108 VanDerWaalsContact C-N 3.3Å; F106-C108 PolarHBondContact O-N 2.83Å; F106-V109 PolarHBondContact O-N 2.89Å; F106-A110 VanDerWaalsContact O-CB 3.31Å; F106-A110 WeakPolarHBondContact O-CB 3.24Å; F106-A110 PolarHBondContact O-N 3.48Å
107	R	82.8	Confident	78.7	Confident	119 Å²	119	62.1 Å²	62.1	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-62.2	-37.8	171.5	-76.6	168.9	169.5	175.5	-7.1	112.3	R103 D104 F105 R111	R103-R107 WeakPolarHBondContact O-CB 3.12Å; R103-R107 VanDerWaalsContact O-CG 3.27Å; R103-R107 WeakPolarHBondContact O-CG 3.47Å; R103-R107 PolarHBondContact O-N 3.46Å; D104-R107 PolarHBondContact O-N 2.76Å; D104-R107 IonicContact OD1-NH1 3.05Å; D104-R107 PolarHBondContact OD1-NH1 3.39Å; D104-R107 VanDerWaalsContact OD1-NH1 3.15Å; F105-R107 VanDerWaalsContact C-N 3.31Å; F105-R107 PolarHBondContact O-N 3.43Å; R107-R111 WeakPolarHBondContact O-CG 3.27Å
108	C	83.7	Confident	78.9	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.034	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-48.4	174	-174.8	0	0	0	0	111.1	D104 F105 F106 A110 R111 V112 C121 Y124	D104-C108 PolarHBondContact O-N 2.79Å; D104-C108 VanDerWaalsContact O-N 3.07Å; F105-C108 WeakPolarHBondContact O-CB 3.22Å; F105-C108 PolarHBondContact O-N 3.43Å; F106-C108 VanDerWaalsContact C-N 3.3Å; F106-C108 PolarHBondContact O-N 2.83Å; C108-A110 VanDerWaalsContact C-N 3.3Å; C108-A110 PolarHBondContact O-N 3.38Å; C108-R111 PolarHBondContact O-N 3.33Å; C108-V112 WeakPolarHBondContact O-CG2 3.21Å; C108-V112 PolarHBondContact O-N 2.93Å; C108-C121 HydrophobicContact CB-CB 3.87Å; C108-C121 WeakPolarHBondContact CB-SG 3.37Å; C108-C121 WeakPolarHBondContact SG-CA 3.19Å; C108-C121 WeakPolarHBondContact SG-CB 3.2Å; C108-C121 CovalentContact SG-SG 2.04Å; C108-C121 PolarHBondContact SG-SG 2.8Å; C108-Y124 HydrophobicContact CB-CD2 3.67Å; C108-Y124 HydrophobicContact CB-CE2 3.91Å
109	V	82.9	Confident	78.7	Confident	22 Å²	22	63 Å²	63	13%	0.133	31%	0.313	C	S	.	.	H	α-helix	trans	-57.3	-43.3	179	176	0	0	0	0	111.5	F105 F106 R111 V112 G113 I114 T117	F105-V109 HydrophobicContact CD1-CG2 4.13Å; F105-V109 HydrophobicContact CD2-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 3.59Å; F105-V109 HydrophobicContact CE2-CG2 3.79Å; F105-V109 HydrophobicContact CG-CG2 4.44Å; F105-V109 HydrophobicContact CZ-CG2 3.37Å; F105-V109 WeakPolarHBondContact O-CG2 3.31Å; F105-V109 PolarHBondContact O-N 2.83Å; F106-V109 PolarHBondContact O-N 2.89Å; V109-R111 PolarHBondContact O-N 3.45Å; V109-V112 PolarHBondContact O-N 3.26Å; V109-G113 WeakPolarHBondContact O-CA 3.46Å; V109-G113 PolarHBondContact O-N 3.13Å; V109-I114 HydrophobicContact CG1-CG1 4.35Å; V109-T117 HydrophobicContact CB-CG2 4.22Å; V109-T117 HydrophobicContact CG1-CG2 4.01Å; V109-T117 HydrophobicContact CG2-CG2 3.78Å
110	A	81.4	Confident	78.9	Confident	90 Å²	90	62.3 Å²	62.3	74%	0.744	31%	0.31	S	S	*	.	H	α-helix	trans	-62.2	-27.6	178.7	0	0	0	0	0	113.4	F106 C108	F106-A110 VanDerWaalsContact O-CB 3.31Å; F106-A110 WeakPolarHBondContact O-CB 3.24Å; F106-A110 PolarHBondContact O-N 3.48Å; C108-A110 VanDerWaalsContact C-N 3.3Å; C108-A110 PolarHBondContact O-N 3.38Å
111	R	77.5	Confident	79	Confident	137 Å²	137	58.3 Å²	58.3	52%	0.517	29%	0.289	S	S	.	.	H	α-helix	trans	-83.3	-41.4	178.8	-68.4	173.9	-167.3	162.5	2.6	113.1	R107 C108 V109	R107-R111 WeakPolarHBondContact O-CG 3.27Å; C108-R111 PolarHBondContact O-N 3.33Å; V109-R111 PolarHBondContact O-N 3.45Å
112	V	77.5	Confident	79	Confident	30 Å²	30	56.3 Å²	56.3	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-98.8	-17.1	-170.7	-56	0	0	0	0	113.8	C108 V109 N116 T117 H120 C121	C108-V112 WeakPolarHBondContact O-CG2 3.21Å; C108-V112 PolarHBondContact O-N 2.93Å; V109-V112 PolarHBondContact O-N 3.26Å; V112-N116 HydrophobicContact CB-CB 4.13Å; V112-N116 HydrophobicContact CG2-CB 4.39Å; V112-T117 HydrophobicContact CG2-CG2 4.23Å; V112-H120 HydrophobicContact CG1-CB 3.91Å; V112-C121 VanDerWaalsContact CG2-SG 3.54Å
113	G	76.9	Confident	79.3	Confident	32 Å²	32	57.8 Å²	57.8	33%	0.33	29%	0.287	S	S	.	.			trans	74.9	156.6	-172.5	0	0	0	0	0	112.7	V109 Q115 N116 T117	V109-G113 WeakPolarHBondContact O-CA 3.46Å; V109-G113 PolarHBondContact O-N 3.13Å; G113-Q115 PolarHBondContact O-N 3.25Å; G113-Q115 VanDerWaalsContact O-N 3.07Å; G113-N116 PolarHBondContact O-N 3.48Å; G113-N116 VanDerWaalsContact O-N 3.13Å; G113-T117 WeakPolarHBondContact O-CG2 3.38Å; G113-T117 PolarHBondContact O-N 2.67Å
114	I	73.4	Confident	79.6	Confident	78 Å²	78	54.2 Å²	54.2	40%	0.4	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-56.2	-29.5	-174.5	-66.6	109.2	0	0	0	113.5	N68 V109 N116 T117	N68-I114 WeakPolarHBondContact ND2-CD1 3.33Å; N68-I114 VanDerWaalsContact ND2-CG1 3.33Å; N68-I114 WeakPolarHBondContact ND2-CG1 3.2Å; N68-I114 WeakPolarHBondContact OD1-CD1 3.47Å; V109-I114 HydrophobicContact CG1-CG1 4.35Å; I114-N116 PolarHBondContact O-N 3.09Å; I114-T117 PolarHBondContact O-OG1 3.14Å
115	Q	74.2	Confident	79.5	Confident	180 Å²	180	53.4 Å²	53.4	84%	0.841	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-72.1	-28.3	-177.4	-64.9	178	-14.6	0	0	113.4	G113	G113-Q115 PolarHBondContact O-N 3.25Å; G113-Q115 VanDerWaalsContact O-N 3.07Å
116	N	75.8	Confident	79.4	Confident	67 Å²	67	55.7 Å²	55.7	36%	0.358	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-106.5	5.1	-176.5	-66.4	-42.3	0	0	0	113.1	V112 G113 I114 D118 K119 H120	V112-N116 HydrophobicContact CB-CB 4.13Å; V112-N116 HydrophobicContact CG2-CB 4.39Å; G113-N116 PolarHBondContact O-N 3.48Å; G113-N116 VanDerWaalsContact O-N 3.13Å; I114-N116 PolarHBondContact O-N 3.09Å; N116-D118 PolarHBondContact O-N 3.2Å; N116-K119 PolarHBondContact O-N 3.3Å; N116-H120 PolarHBondContact O-N 2.82Å
117	T	76.4	Confident	79.5	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-35.4	-179.5	49.5	0	0	0	0	112	F59 V109 V112 G113 I114 K119 C121	F59-T117 HydrophobicContact CZ-CG2 4.46Å; V109-T117 HydrophobicContact CB-CG2 4.22Å; V109-T117 HydrophobicContact CG1-CG2 4.01Å; V109-T117 HydrophobicContact CG2-CG2 3.78Å; V112-T117 HydrophobicContact CG2-CG2 4.23Å; G113-T117 WeakPolarHBondContact O-CG2 3.38Å; G113-T117 PolarHBondContact O-N 2.67Å; I114-T117 PolarHBondContact O-OG1 3.14Å; T117-K119 PolarHBondContact O-N 2.77Å; T117-C121 WeakPolarHBondContact O-CA 3.43Å; T117-C121 WeakPolarHBondContact O-CB 3.47Å; T117-C121 PolarHBondContact O-N 2.87Å
118	D	72.6	Confident	79.4	Confident	56 Å²	56	50 Å²	50	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-69.1	-24.2	-175.2	-60.2	-0.4	0	0	0	113.1	R22 Y53 N116	R22-D118 PolarHBondContact NH2-O 3.12Å; Y53-D118 HydrophobicContact CD1-CB 3.67Å; Y53-D118 WeakPolarHBondContact CD1-OD1 3.5Å; Y53-D118 HydrophobicContact CE1-CB 4.09Å; Y53-D118 WeakPolarHBondContact CE1-OD1 3.44Å; N116-D118 PolarHBondContact O-N 3.2Å
119	K	75.4	Confident	79.3	Confident	125 Å²	125	51.5 Å²	51.5	54%	0.543	27%	0.269	S	S	.	.	H	α-helix	trans	-88	-49	179.3	-65.1	179.6	-176.6	173	0	111.4	N18 N116 T117	N18-K119 PolarHBondContact ND2-O 3.47Å; N18-K119 VanDerWaalsContact ND2-O 3.12Å; N116-K119 PolarHBondContact O-N 3.3Å; T117-K119 PolarHBondContact O-N 2.77Å
120	H	77.1	Confident	79.2	Confident	47 Å²	47	52.1 Å²	52.1	22%	0.218	27%	0.27	C	S	.	.	H	α-helix	trans	-98.5	-35	-169.6	-59.6	-64.4	0	0	0	113.6	L14 D15 N18 V112 N116	L14-H120 HydrophobicContact CD2-CB 4.3Å; L14-H120 VanDerWaalsContact CD2-O 3.24Å; L14-H120 WeakPolarHBondContact CD2-O 3.31Å; L14-H120 WeakPolarHBondContact CG-O 3.32Å; D15-H120 IonicContact OD1-CE1 3.83Å; D15-H120 PolarHBondContact OD1-CE1 2.73Å; D15-H120 IonicContact OD1-CG 2.72Å; D15-H120 IonicContact OD1-ND1 3.15Å; D15-H120 PolarHBondContact OD1-ND1 3.18Å; D15-H120 IonicContact OD2-CE1 3.76Å; D15-H120 IonicContact OD2-ND1 2.68Å; N18-H120 PolarHBondContact ND2-O 3.31Å; V112-H120 HydrophobicContact CG1-CB 3.91Å; N116-H120 PolarHBondContact O-N 2.82Å
121	C	83.4	Confident	79.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-97.2	14.2	-171.2	-53.4	0	0	0	0	114.2	F105 C108 V112 T117 I123 Y124 W125	F105-C121 HydrophobicContact CD2-CB 4.43Å; F105-C121 HydrophobicContact CE2-CB 4.18Å; C108-C121 HydrophobicContact CB-CB 3.87Å; C108-C121 WeakPolarHBondContact CB-SG 3.37Å; C108-C121 WeakPolarHBondContact SG-CA 3.19Å; C108-C121 WeakPolarHBondContact SG-CB 3.2Å; C108-C121 CovalentContact SG-SG 2.04Å; C108-C121 PolarHBondContact SG-SG 2.8Å; V112-C121 VanDerWaalsContact CG2-SG 3.54Å; T117-C121 WeakPolarHBondContact O-CA 3.43Å; T117-C121 WeakPolarHBondContact O-CB 3.47Å; T117-C121 PolarHBondContact O-N 2.87Å; C121-I123 PolarHBondContact O-N 2.8Å; C121-Y124 PolarHBondContact O-N 2.81Å; C121-W125 PolarHBondContact O-N 2.79Å
122	K	82	Confident	79.2	Confident	13 Å²	13	45.1 Å²	45.1	6%	0.057	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-44.5	-175.3	-179	179.2	172.2	-178.7	0	112.9	R22 W125 E126	R22-K122 HydrophobicContact CG-CD 4.39Å; K122-W125 PolarHBondContact O-N 3.43Å; K122-E126 WeakPolarHBondContact CE-OE1 3.06Å; K122-E126 HydrophobicContact CG-CG 4.48Å; K122-E126 IonicContact NZ-OE1 3.75Å; K122-E126 PolarHBondContact O-N 3.05Å
123	I	84.7	Confident	79.2	Confident	32 Å²	32	47.4 Å²	47.4	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-50.3	179.7	-68.1	149.9	0	0	0	111.5	L14 L17 N18 C121 W125 E126 D127	L14-I123 HydrophobicContact CD1-CD1 4.06Å; L17-I123 HydrophobicContact CB-CD1 3.3Å; L17-I123 HydrophobicContact CD1-CD1 4.47Å; N18-I123 HydrophobicContact CB-CD1 4.47Å; N18-I123 WeakPolarHBondContact OD1-CD1 3.17Å; N18-I123 VanDerWaalsContact OD1-CG1 3.23Å; N18-I123 WeakPolarHBondContact OD1-CG1 3.45Å; N18-I123 PolarHBondContact OD1-N 3.22Å; C121-I123 PolarHBondContact O-N 2.8Å; I123-W125 PolarHBondContact O-N 3.12Å; I123-E126 PolarHBondContact O-N 2.71Å; I123-E126 VanDerWaalsContact O-N 3.09Å; I123-D127 PolarHBondContact O-N 3.32Å
124	Y	84.1	Confident	79.4	Confident	21 Å²	21	50.3 Å²	50.3	8%	0.082	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-38.6	-179.9	-64.6	-65.7	0	0	0	111.8	L14 D104 C108 C121 L128	L14-Y124 HydrophobicContact CD1-CD2 4.45Å; L14-Y124 HydrophobicContact CD1-CE2 3.7Å; L14-Y124 HydrophobicContact CD2-CE2 4.2Å; D104-Y124 HydrophobicContact CB-CD1 3.93Å; D104-Y124 HydrophobicContact CB-CE1 4.06Å; C108-Y124 HydrophobicContact CB-CD2 3.67Å; C108-Y124 HydrophobicContact CB-CE2 3.91Å; C121-Y124 PolarHBondContact O-N 2.81Å; Y124-L128 WeakPolarHBondContact O-CB 3.35Å; Y124-L128 PolarHBondContact O-N 3.49Å
125	W	80.8	Confident	79.7	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-69.7	-43.7	175.6	-178.1	-91.5	0	0	0	113.4	Y53 F59 P60 Y63 F105 C121 K122 I123 D127 L128 L129	Y53-W125 AromaticContact CD2-CD1 3.82Å; Y53-W125 HydrophobicContact CD2-CG 4.42Å; Y53-W125 HydrophobicContact CE2-CB 3.99Å; Y53-W125 AromaticContact CE2-CD1 3.05Å; Y53-W125 AromaticContact CE2-CD2 3.91Å; Y53-W125 HydrophobicContact CE2-CD2 3.91Å; Y53-W125 AromaticContact CE2-CE2 3.86Å; Y53-W125 AromaticContact CE2-CG 3.35Å; Y53-W125 HydrophobicContact CE2-CG 3.35Å; Y53-W125 AromaticContact CE2-NE1 3.34Å; Y53-W125 VanDerWaalsContact CE2-NE1 3.34Å; Y53-W125 AromaticContact CZ-CD1 3.83Å; Y53-W125 AromaticContact CZ-CG 3.63Å; Y53-W125 WeakPolarHBondContact OH-CB 3.49Å; F59-W125 HydrophobicContact CD1-CE3 4.22Å; F59-W125 AromaticContact CD1-CH2 3.67Å; F59-W125 HydrophobicContact CD1-CH2 3.67Å; F59-W125 HydrophobicContact CD1-CZ2 4.09Å; F59-W125 AromaticContact CD1-CZ3 3.78Å; F59-W125 HydrophobicContact CD1-CZ3 3.78Å; F59-W125 HydrophobicContact CE1-CD2 4.33Å; F59-W125 AromaticContact CE1-CE3 3.91Å; F59-W125 HydrophobicContact CE1-CE3 3.91Å; F59-W125 HydrophobicContact CE1-CH2 4.19Å; F59-W125 AromaticContact CE1-CZ3 3.83Å; F59-W125 HydrophobicContact CE1-CZ3 3.83Å; P60-W125 HydrophobicContact CG-CH2 4.33Å; P60-W125 HydrophobicContact CG-CZ2 3.88Å; Y63-W125 AromaticContact CD1-CH2 3.88Å; Y63-W125 HydrophobicContact CD1-CH2 3.88Å; Y63-W125 AromaticContact CD1-CZ3 3.7Å; Y63-W125 HydrophobicContact CD1-CZ3 3.7Å; Y63-W125 AromaticContact CD2-CH2 3.3Å; Y63-W125 HydrophobicContact CD2-CH2 3.3Å; Y63-W125 HydrophobicContact CD2-CZ2 4.27Å; Y63-W125 AromaticContact CD2-CZ3 3.96Å; Y63-W125 HydrophobicContact CD2-CZ3 3.96Å; Y63-W125 HydrophobicContact CE1-CH2 4.16Å; Y63-W125 AromaticContact CE1-CZ3 3.79Å; Y63-W125 HydrophobicContact CE1-CZ3 3.79Å; Y63-W125 AromaticContact CE2-CH2 3.55Å; Y63-W125 HydrophobicContact CE2-CH2 3.55Å; Y63-W125 HydrophobicContact CE2-CZ2 4.46Å; Y63-W125 AromaticContact CE2-CZ3 3.96Å; Y63-W125 HydrophobicContact CE2-CZ3 3.96Å; Y63-W125 AromaticContact CG-CH2 3.38Å; Y63-W125 HydrophobicContact CG-CH2 3.38Å; Y63-W125 AromaticContact CG-CZ3 3.73Å; Y63-W125 HydrophobicContact CG-CZ3 3.73Å; Y63-W125 AromaticContact CZ-CH2 3.93Å; Y63-W125 AromaticContact CZ-CZ3 3.83Å; F105-W125 HydrophobicContact CD1-CE3 4.22Å; F105-W125 HydrophobicContact CD1-CZ3 4.46Å; F105-W125 HydrophobicContact CD2-CB 4.06Å; F105-W125 AromaticContact CD2-CE3 3.98Å; F105-W125 HydrophobicContact CD2-CE3 3.98Å; F105-W125 AromaticContact CE1-CE3 3.85Å; F105-W125 HydrophobicContact CE1-CE3 3.85Å; F105-W125 AromaticContact CE1-CZ3 3.95Å; F105-W125 HydrophobicContact CE1-CZ3 3.95Å; F105-W125 HydrophobicContact CE2-CB 3.96Å; F105-W125 HydrophobicContact CE2-CD2 4.34Å; F105-W125 AromaticContact CE2-CE3 3.61Å; F105-W125 HydrophobicContact CE2-CE3 3.61Å; F105-W125 HydrophobicContact CE2-CZ3 4.47Å; F105-W125 HydrophobicContact CG-CE3 4.29Å; F105-W125 AromaticContact CZ-CE3 3.56Å; F105-W125 HydrophobicContact CZ-CE3 3.56Å; F105-W125 AromaticContact CZ-CZ3 3.98Å; F105-W125 HydrophobicContact CZ-CZ3 3.98Å; C121-W125 PolarHBondContact O-N 2.79Å; K122-W125 PolarHBondContact O-N 3.43Å; I123-W125 PolarHBondContact O-N 3.12Å; W125-D127 PolarHBondContact O-N 2.94Å; W125-L128 HydrophobicContact CE3-CD2 3.84Å; W125-L128 HydrophobicContact CZ3-CD2 3.92Å; W125-L128 WeakPolarHBondContact O-CB 3.48Å; W125-L128 PolarHBondContact O-N 3.49Å; W125-L129 HydrophobicContact CZ2-CD1 4.48Å; W125-L129 HydrophobicContact CZ2-CD2 4.12Å; W125-L129 HydrophobicContact CZ2-CG 4.24Å; W125-L129 VanDerWaalsContact NE1-CG 3.35Å; W125-L129 PolarHBondContact O-N 2.89Å
126	E	81.9	Confident	80	Confident	52 Å²	52	44.8 Å²	44.8	24%	0.243	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-36.4	176.5	-78	-167.5	-165.9	0	0	112.1	K122 I123 E130 K136	K122-E126 WeakPolarHBondContact CE-OE1 3.06Å; K122-E126 HydrophobicContact CG-CG 4.48Å; K122-E126 IonicContact NZ-OE1 3.75Å; K122-E126 PolarHBondContact O-N 3.05Å; I123-E126 PolarHBondContact O-N 2.71Å; I123-E126 VanDerWaalsContact O-N 3.09Å; E126-E130 VanDerWaalsContact O-CB 3.25Å; E126-E130 WeakPolarHBondContact O-CB 3.29Å; E126-E130 PolarHBondContact O-N 3.05Å; E126-K136 IonicContact OE2-NZ 2.68Å; E126-K136 PolarHBondContact OE2-NZ 3.06Å
127	D	85.1	Confident	80.3	Confident	61 Å²	61	44.1 Å²	44.1	33%	0.326	22%	0.222	S	C	.	.	H	α-helix	trans	-71.4	-38.8	176.2	-69.2	-22	0	0	0	112	M101 I123 W125 E130 C131	M101-D127 HydrophobicContact CE-CB 3.3Å; I123-D127 PolarHBondContact O-N 3.32Å; W125-D127 PolarHBondContact O-N 2.94Å; D127-E130 PolarHBondContact O-N 3.25Å; D127-C131 WeakPolarHBondContact O-CB 3.37Å; D127-C131 PolarHBondContact O-N 2.97Å
128	L	81.4	Confident	80.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-48.3	173.5	-174.5	64.3	0	0	0	111.3	Y63 C98 M101 E102 F105 Y124 W125 E130 C131 Q132	Y63-L128 HydrophobicContact CE1-CD2 4.11Å; Y63-L128 WeakPolarHBondContact OH-CD2 3.14Å; Y63-L128 WeakPolarHBondContact OH-CG 3.11Å; C98-L128 VanDerWaalsContact SG-CD1 3.56Å; M101-L128 HydrophobicContact CB-CD1 4.19Å; E102-L128 HydrophobicContact CB-CD1 3.72Å; E102-L128 HydrophobicContact CG-CD1 4.41Å; F105-L128 HydrophobicContact CB-CD2 4.28Å; F105-L128 HydrophobicContact CD1-CD2 4.21Å; F105-L128 HydrophobicContact CG-CD2 4.22Å; Y124-L128 WeakPolarHBondContact O-CB 3.35Å; Y124-L128 PolarHBondContact O-N 3.49Å; W125-L128 HydrophobicContact CE3-CD2 3.84Å; W125-L128 HydrophobicContact CZ3-CD2 3.92Å; W125-L128 WeakPolarHBondContact O-CB 3.48Å; W125-L128 PolarHBondContact O-N 3.49Å; L128-E130 VanDerWaalsContact C-N 3.34Å; L128-E130 PolarHBondContact O-N 2.89Å; L128-C131 WeakPolarHBondContact O-CB 3.31Å; L128-C131 PolarHBondContact O-N 3.24Å; L128-Q132 WeakPolarHBondContact O-CG 3.39Å; L128-Q132 PolarHBondContact O-N 2.98Å; L128-Q132 VanDerWaalsContact O-N 3.13Å
129	L	79.9	Confident	81	Confident	37 Å²	37	49.9 Å²	49.9	19%	0.194	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-38.3	175.5	-78	-175.7	0	0	0	112.7	P52 W125 C131 Q132 N133	P52-L129 HydrophobicContact CG-CD1 3.74Å; W125-L129 HydrophobicContact CZ2-CD1 4.48Å; W125-L129 HydrophobicContact CZ2-CD2 4.12Å; W125-L129 HydrophobicContact CZ2-CG 4.24Å; W125-L129 VanDerWaalsContact NE1-CG 3.35Å; W125-L129 PolarHBondContact O-N 2.89Å; L129-C131 VanDerWaalsContact C-N 3.29Å; L129-Q132 PolarHBondContact O-N 2.94Å; L129-N133 WeakPolarHBondContact O-CB 3.25Å; L129-N133 PolarHBondContact O-N 3.39Å; L129-N133 PolarHBondContact O-ND2 3.43Å
130	E	82.3	Confident	81.4	Confident	35 Å²	35	52.3 Å²	52.3	16%	0.164	25%	0.25	C	S	.	.	H	α-helix	trans	-65.9	-36.7	176.5	-179.4	54.6	-157	0	0	111.3	E126 D127 L128 Q132 H134 D135 K136 A137	E126-E130 VanDerWaalsContact O-CB 3.25Å; E126-E130 WeakPolarHBondContact O-CB 3.29Å; E126-E130 PolarHBondContact O-N 3.05Å; D127-E130 PolarHBondContact O-N 3.25Å; L128-E130 VanDerWaalsContact C-N 3.34Å; L128-E130 PolarHBondContact O-N 2.89Å; E130-Q132 VanDerWaalsContact C-N 3.29Å; E130-Q132 PolarHBondContact O-N 3.48Å; E130-H134 WeakPolarHBondContact O-CA 3.49Å; E130-H134 PolarHBondContact O-N 3.43Å; E130-D135 PolarHBondContact OE1-N 2.93Å; E130-D135 PolarHBondContact OE2-N 3.28Å; E130-K136 HydrophobicContact CG-CB 4.25Å; E130-K136 HydrophobicContact CG-CD 4.11Å; E130-K136 HydrophobicContact CG-CG 4.45Å; E130-K136 VanDerWaalsContact OE1-CA 3.27Å; E130-K136 WeakPolarHBondContact OE1-CA 3.34Å; E130-K136 VanDerWaalsContact OE1-CB 3.24Å; E130-K136 WeakPolarHBondContact OE1-CB 3.29Å; E130-K136 PolarHBondContact OE1-N 3.31Å; E130-K136 VanDerWaalsContact OE2-CB 3.31Å; E130-K136 WeakPolarHBondContact OE2-CB 3.16Å; E130-K136 WeakPolarHBondContact OE2-CG 3.41Å; E130-K136 PolarHBondContact OE2-N 3.12Å; E130-A137 PolarHBondContact OE1-N 2.97Å
131	C	82.9	Confident	81.7	Confident	20 Å²	20	52.8 Å²	52.8	14%	0.135	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-30.4	174.9	-169	0	0	0	0	112.5	C98 D127 L128 L129 H134	C98-C131 VanDerWaalsContact CA-SG 3.56Å; C98-C131 HydrophobicContact CB-CB 4.44Å; C98-C131 VanDerWaalsContact CB-SG 3.56Å; D127-C131 WeakPolarHBondContact O-CB 3.37Å; D127-C131 PolarHBondContact O-N 2.97Å; L128-C131 WeakPolarHBondContact O-CB 3.31Å; L128-C131 PolarHBondContact O-N 3.24Å; L129-C131 VanDerWaalsContact C-N 3.29Å; C131-H134 PolarHBondContact O-CE1 2.8Å; C131-H134 PolarHBondContact O-NE2 3.31Å
132	Q	75.3	Confident	81.6	Confident	59 Å²	59	56.5 Å²	56.5	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-82.1	-46.6	178	-68.9	-176.6	-20.8	0	0	113.5	Y63 L128 L129 E130	Y63-Q132 PolarHBondContact OH-NE2 3.15Å; L128-Q132 WeakPolarHBondContact O-CG 3.39Å; L128-Q132 PolarHBondContact O-N 2.98Å; L128-Q132 VanDerWaalsContact O-N 3.13Å; L129-Q132 PolarHBondContact O-N 2.94Å; E130-Q132 VanDerWaalsContact C-N 3.29Å; E130-Q132 PolarHBondContact O-N 3.48Å
133	N	78.2	Confident	81.5	Confident	78 Å²	78	60 Å²	60	42%	0.417	30%	0.298	S	S	.	.	H	α-helix	trans	-91	-26.1	-171.7	-65.5	-36.1	0	0	0	112.6	L129 D135 K138	L129-N133 WeakPolarHBondContact O-CB 3.25Å; L129-N133 PolarHBondContact O-N 3.39Å; L129-N133 PolarHBondContact O-ND2 3.43Å; N133-D135 HydrophobicContact CB-CB 4.48Å; N133-D135 PolarHBondContact O-N 3.4Å; N133-K138 PolarHBondContact O-NZ 3.46Å
134	H	80.4	Confident	81.4	Confident	93 Å²	93	63 Å²	63	43%	0.431	31%	0.313	S	S	.	.			trans	54.4	32.6	-171.9	-60.2	-63.3	0	0	0	113.3	E130 C131 A137 K138	E130-H134 WeakPolarHBondContact O-CA 3.49Å; E130-H134 PolarHBondContact O-N 3.43Å; C131-H134 PolarHBondContact O-CE1 2.8Å; C131-H134 PolarHBondContact O-NE2 3.31Å; H134-A137 HydrophobicContact CB-CB 4.33Å; H134-K138 WeakPolarHBondContact O-CB 3.42Å; H134-K138 WeakPolarHBondContact O-CD 3.32Å; H134-K138 WeakPolarHBondContact O-CG 3.18Å; H134-K138 PolarHBondContact O-N 3.18Å
135	D	79.2	Confident	81.3	Confident	55 Å²	55	66.6 Å²	66.6	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-67.1	-51.4	-173.7	-90.9	7.7	0	0	0	111.7	R44 E130 N133 A137 K138 K139	R44-D135 IonicContact NH2-OD2 2.8Å; R44-D135 PolarHBondContact NH2-OD2 3.41Å; E130-D135 PolarHBondContact OE1-N 2.93Å; E130-D135 PolarHBondContact OE2-N 3.28Å; N133-D135 HydrophobicContact CB-CB 4.48Å; N133-D135 PolarHBondContact O-N 3.4Å; D135-A137 VanDerWaalsContact C-N 3.34Å; D135-K138 PolarHBondContact O-N 2.83Å; D135-K139 VanDerWaalsContact O-CB 3.25Å; D135-K139 WeakPolarHBondContact O-CB 3.29Å; D135-K139 WeakPolarHBondContact O-CG 3.3Å; D135-K139 PolarHBondContact O-N 3.47Å
136	K	82.1	Confident	81.5	Confident	88 Å²	88	70.2 Å²	70.2	38%	0.383	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-37.9	177.2	-59.2	166.4	179.5	171.5	0	110.8	E126 E130 K139 R140	E126-K136 IonicContact OE2-NZ 2.68Å; E126-K136 PolarHBondContact OE2-NZ 3.06Å; E130-K136 HydrophobicContact CG-CB 4.25Å; E130-K136 HydrophobicContact CG-CD 4.11Å; E130-K136 HydrophobicContact CG-CG 4.45Å; E130-K136 VanDerWaalsContact OE1-CA 3.27Å; E130-K136 WeakPolarHBondContact OE1-CA 3.34Å; E130-K136 VanDerWaalsContact OE1-CB 3.24Å; E130-K136 WeakPolarHBondContact OE1-CB 3.29Å; E130-K136 PolarHBondContact OE1-N 3.31Å; E130-K136 VanDerWaalsContact OE2-CB 3.31Å; E130-K136 WeakPolarHBondContact OE2-CB 3.16Å; E130-K136 WeakPolarHBondContact OE2-CG 3.41Å; E130-K136 PolarHBondContact OE2-N 3.12Å; K136-K139 WeakPolarHBondContact O-CB 3.37Å; K136-K139 PolarHBondContact O-N 2.82Å; K136-R140 WeakPolarHBondContact O-CB 3.37Å; K136-R140 PolarHBondContact O-N 2.89Å
137	A	80.9	Confident	81.6	Confident	52 Å²	52	70.9 Å²	70.9	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-49.8	176.1	0	0	0	0	0	111.9	E130 H134 D135 K139 R140 A141	E130-A137 PolarHBondContact OE1-N 2.97Å; H134-A137 HydrophobicContact CB-CB 4.33Å; D135-A137 VanDerWaalsContact C-N 3.34Å; A137-K139 PolarHBondContact O-N 2.78Å; A137-R140 PolarHBondContact O-N 3.04Å; A137-A141 PolarHBondContact O-N 3.44Å
138	K	82.7	Confident	81.4	Confident	118 Å²	118	72 Å²	72	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-45.7	174.9	-74.2	166.6	-175.9	158.4	0	111.6	N133 H134 D135 R140 A141 M142	N133-K138 PolarHBondContact O-NZ 3.46Å; H134-K138 WeakPolarHBondContact O-CB 3.42Å; H134-K138 WeakPolarHBondContact O-CD 3.32Å; H134-K138 WeakPolarHBondContact O-CG 3.18Å; H134-K138 PolarHBondContact O-N 3.18Å; D135-K138 PolarHBondContact O-N 2.83Å; K138-R140 VanDerWaalsContact C-N 3.32Å; K138-R140 PolarHBondContact O-N 3.29Å; K138-A141 PolarHBondContact O-N 3.19Å; K138-M142 WeakPolarHBondContact O-CG 3.39Å; K138-M142 PolarHBondContact O-N 2.98Å
139	K	82.2	Confident	81.5	Confident	60 Å²	60	78.8 Å²	78.8	26%	0.261	38%	0.382	S	S	.	.	H	α-helix	trans	-56	-44.3	175.6	-80.7	-174	-178.8	-177.3	0	112.3	I29 D135 K136 A137 M142 M143	I29-K139 HydrophobicContact CD1-CB 3.54Å; I29-K139 HydrophobicContact CD1-CD 3.88Å; I29-K139 HydrophobicContact CD1-CG 3.42Å; I29-K139 VanDerWaalsContact CD1-CG 3.42Å; I29-K139 HydrophobicContact CG1-CD 4.36Å; I29-K139 HydrophobicContact CG1-CG 4.38Å; D135-K139 VanDerWaalsContact O-CB 3.25Å; D135-K139 WeakPolarHBondContact O-CB 3.29Å; D135-K139 WeakPolarHBondContact O-CG 3.3Å; D135-K139 PolarHBondContact O-N 3.47Å; K136-K139 WeakPolarHBondContact O-CB 3.37Å; K136-K139 PolarHBondContact O-N 2.82Å; A137-K139 PolarHBondContact O-N 2.78Å; K139-M142 HydrophobicContact CG-CE 4.33Å; K139-M143 WeakPolarHBondContact O-CG 3.4Å; K139-M143 PolarHBondContact O-N 2.81Å
140	R	82.5	Confident	81.8	Confident	177 Å²	177	83 Å²	83	67%	0.668	41%	0.41	S	S	*	.	H	α-helix	trans	-64.9	-44.7	177.1	-172.7	176.6	-175.2	176.6	-0.8	111.5	K136 A137 K138 M143 M144	K136-R140 WeakPolarHBondContact O-CB 3.37Å; K136-R140 PolarHBondContact O-N 2.89Å; A137-R140 PolarHBondContact O-N 3.04Å; K138-R140 VanDerWaalsContact C-N 3.32Å; K138-R140 PolarHBondContact O-N 3.29Å; R140-M143 PolarHBondContact O-N 3.39Å; R140-M144 HydrophobicContact CG-CE 3.93Å; R140-M144 HydrophobicContact CG-SD 4.46Å; R140-M144 WeakPolarHBondContact O-CG 3.41Å; R140-M144 PolarHBondContact O-N 3.44Å
141	A	83.2	Confident	82	Confident	57 Å²	57	88.1 Å²	88.1	47%	0.471	43%	0.431	S	S	.	.	H	α-helix	trans	-60.4	-46	176.8	0	0	0	0	0	111.9	A137 K138 M143 M144 E145	A137-A141 PolarHBondContact O-N 3.44Å; K138-A141 PolarHBondContact O-N 3.19Å; A141-M143 PolarHBondContact O-N 2.96Å; A141-M144 WeakPolarHBondContact O-CB 3.38Å; A141-M144 PolarHBondContact O-N 3.42Å; A141-E145 PolarHBondContact O-N 3.31Å
142	M	82.5	Confident	81.9	Confident	77 Å²	77	96.2 Å²	96.2	38%	0.379	46%	0.464	S	S	.	.	H	α-helix	trans	-61.2	-41.4	176.4	-72.4	-169.8	-69	0	0	112.7	I29 K138 K139 E145 K146	I29-M142 HydrophobicContact CD1-CE 4.47Å; K138-M142 WeakPolarHBondContact O-CG 3.39Å; K138-M142 PolarHBondContact O-N 2.98Å; K139-M142 HydrophobicContact CG-CE 4.33Å; M142-E145 PolarHBondContact O-N 3.43Å; M142-K146 WeakPolarHBondContact O-CG 3.31Å; M142-K146 PolarHBondContact O-N 3.37Å
143	M	80.1	Confident	81.9	Confident	86 Å²	86	97.6 Å²	97.6	42%	0.424	47%	0.472	S	S	.	.	H	α-helix	trans	-67.7	-39.4	177.3	-73.4	-64.8	-75.6	0	0	111.8	I29 K139 R140 A141 E145 K146 V147	I29-M143 HydrophobicContact CD1-CG 4.18Å; I29-M143 HydrophobicContact CG2-SD 4.12Å; K139-M143 WeakPolarHBondContact O-CG 3.4Å; K139-M143 PolarHBondContact O-N 2.81Å; R140-M143 PolarHBondContact O-N 3.39Å; A141-M143 PolarHBondContact O-N 2.96Å; M143-E145 VanDerWaalsContact C-N 3.35Å; M143-K146 PolarHBondContact O-N 3.35Å; M143-K146 HydrophobicContact SD-CD 4.28Å; M143-V147 VanDerWaalsContact O-CG2 3.31Å; M143-V147 WeakPolarHBondContact O-CG2 3.48Å; M143-V147 PolarHBondContact O-N 2.92Å
144	M	82	Confident	81.6	Confident	96 Å²	96	101.7 Å²	101.7	47%	0.473	49%	0.488	S	S	.	.	H	α-helix	trans	-58.8	-48.3	172.4	-73	178.5	173.5	0	0	110.4	R140 A141 K146 V147 R148	R140-M144 HydrophobicContact CG-CE 3.93Å; R140-M144 HydrophobicContact CG-SD 4.46Å; R140-M144 WeakPolarHBondContact O-CG 3.41Å; R140-M144 PolarHBondContact O-N 3.44Å; A141-M144 WeakPolarHBondContact O-CB 3.38Å; A141-M144 PolarHBondContact O-N 3.42Å; M144-K146 PolarHBondContact O-N 3.03Å; M144-V147 PolarHBondContact O-N 3.17Å; M144-R148 VanDerWaalsContact O-CG 3.31Å; M144-R148 WeakPolarHBondContact O-CG 3.35Å; M144-R148 PolarHBondContact O-N 2.99Å
145	E	81.2	Confident	80.9	Confident	97 Å²	97	102.8 Å²	102.8	45%	0.453	50%	0.504	S	S	.	.	H	α-helix	trans	-58.6	-45.6	177.8	-165.1	-166.9	154.7	0	0	112.5	A141 M142 M143 V147 R148 K149	A141-E145 PolarHBondContact O-N 3.31Å; M142-E145 PolarHBondContact O-N 3.43Å; M143-E145 VanDerWaalsContact C-N 3.35Å; E145-V147 PolarHBondContact O-N 2.87Å; E145-R148 PolarHBondContact O-N 3.3Å; E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 3.05Å; E145-K149 WeakPolarHBondContact OE1-CE 3.48Å; E145-K149 IonicContact OE1-NZ 3.98Å; E145-K149 PolarHBondContact OE1-NZ 2.94Å
146	K	84.8	Confident	80.3	Confident	76 Å²	76	106.1 Å²	106.1	33%	0.33	52%	0.519	S	S	.	.	H	α-helix	trans	-57.9	-46.4	175	-74.7	-179.8	179.9	-174.6	0	111.6	P30 M142 M143 M144 R148 K149 V150	P30-K146 PolarHBondContact O-NZ 3.25Å; M142-K146 WeakPolarHBondContact O-CG 3.31Å; M142-K146 PolarHBondContact O-N 3.37Å; M143-K146 PolarHBondContact O-N 3.35Å; M143-K146 HydrophobicContact SD-CD 4.28Å; M144-K146 PolarHBondContact O-N 3.03Å; K146-R148 VanDerWaalsContact C-N 3.32Å; K146-R148 PolarHBondContact O-N 3.18Å; K146-K149 PolarHBondContact O-N 2.93Å; K146-V150 WeakPolarHBondContact O-CG2 3.2Å; K146-V150 PolarHBondContact O-N 2.93Å
147	V	85.1	Confident	79.5	Confident	66 Å²	66	106.2 Å²	106.2	40%	0.4	54%	0.536	S	S	.	.	H	α-helix	trans	-63.2	-37.7	177.6	172.5	0	0	0	0	111.4	M143 M144 E145 K151	M143-V147 VanDerWaalsContact O-CG2 3.31Å; M143-V147 WeakPolarHBondContact O-CG2 3.48Å; M143-V147 PolarHBondContact O-N 2.92Å; M144-V147 PolarHBondContact O-N 3.17Å; E145-V147 PolarHBondContact O-N 2.87Å; V147-K151 HydrophobicContact CG1-CD 3.97Å; V147-K151 HydrophobicContact CG1-CG 4.43Å; V147-K151 WeakPolarHBondContact O-CB 3.14Å; V147-K151 WeakPolarHBondContact O-CG 3.5Å; V147-K151 PolarHBondContact O-N 3.33Å
148	R	81.4	Confident	78.9	Confident	86 Å²	86	109.9 Å²	109.9	33%	0.325	55%	0.554	S	S	.	*	H	α-helix	trans	-64.3	-43.5	175.3	-58.9	-168.6	77.8	114.9	-6.1	112.3	M144 E145 K146 K151 K152 M153 E154 M156	M144-R148 VanDerWaalsContact O-CG 3.31Å; M144-R148 WeakPolarHBondContact O-CG 3.35Å; M144-R148 PolarHBondContact O-N 2.99Å; E145-R148 PolarHBondContact O-N 3.3Å; K146-R148 VanDerWaalsContact C-N 3.32Å; K146-R148 PolarHBondContact O-N 3.18Å; R148-K151 PolarHBondContact O-N 2.68Å; R148-K152 PolarHBondContact O-N 3.12Å; R148-K152 VanDerWaalsContact O-N 3.08Å; R148-M153 HydrophobicContact CB-CE 3.89Å; R148-M153 HydrophobicContact CG-CE 3.57Å; R148-M153 PolarHBondContact O-N 3.28Å; R148-E154 PolarHBondContact NH2-O 2.99Å; R148-M156 VanDerWaalsContact CD-CE 3.46Å; R148-M156 VanDerWaalsContact CZ-CG 3.47Å
149	K	82.2	Confident	78.2	Confident	141 Å²	141	110 Å²	110	61%	0.613	56%	0.559	S	S	*	*	H	α-helix	trans	-61.2	-44.1	177.2	-72.2	178.9	-176.6	170.7	0	111.8	E145 K146 K152	E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 3.05Å; E145-K149 WeakPolarHBondContact OE1-CE 3.48Å; E145-K149 IonicContact OE1-NZ 3.98Å; E145-K149 PolarHBondContact OE1-NZ 2.94Å; K146-K149 PolarHBondContact O-N 2.93Å; K149-K152 PolarHBondContact O-N 3.12Å
150	V	86.9	Confident	77.3	Confident	126 Å²	126	110.9 Å²	110.9	76%	0.764	57%	0.571	S	S	*	*	H	α-helix	trans	-65.3	-41.3	178	173.7	0	0	0	0	111.6	K146 K152	K146-V150 WeakPolarHBondContact O-CG2 3.2Å; K146-V150 PolarHBondContact O-N 2.93Å; V150-K152 VanDerWaalsContact C-N 3.26Å; V150-K152 PolarHBondContact O-N 3.39Å
151	K	86.9	Confident	76.2	Confident	142 Å²	142	112.8 Å²	112.8	62%	0.617	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-1.2	179.9	-68.7	-175.4	176.7	-171.7	0	114.3	V147 R148 M153	V147-K151 HydrophobicContact CG1-CD 3.97Å; V147-K151 HydrophobicContact CG1-CG 4.43Å; V147-K151 WeakPolarHBondContact O-CB 3.14Å; V147-K151 WeakPolarHBondContact O-CG 3.5Å; V147-K151 PolarHBondContact O-N 3.33Å; R148-K151 PolarHBondContact O-N 2.68Å; K151-M153 HydrophobicContact CB-CE 4.2Å; K151-M153 HydrophobicContact CB-CG 3.85Å; K151-M153 HydrophobicContact CB-SD 4.41Å; K151-M153 HydrophobicContact CD-CE 4.15Å; K151-M153 HydrophobicContact CD-SD 4.42Å; K151-M153 PolarHBondContact O-N 3.08Å; K151-M153 VanDerWaalsContact O-N 3.12Å
152	K	80.6	Confident	75.2	Confident	191 Å²	191	113.9 Å²	113.9	83%	0.83	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.1	38.2	-174.8	-59.2	-177.8	-179.2	179.1	0	113.1	R148 K149 V150	R148-K152 PolarHBondContact O-N 3.12Å; R148-K152 VanDerWaalsContact O-N 3.08Å; K149-K152 PolarHBondContact O-N 3.12Å; V150-K152 VanDerWaalsContact C-N 3.26Å; V150-K152 PolarHBondContact O-N 3.39Å
153	M	74.3	Confident	74.1	Confident	87 Å²	87	113.2 Å²	113.2	43%	0.429	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-70.3	148.3	177.9	-67.6	-172.1	-71.4	0	0	109.9	R148 K151	R148-M153 HydrophobicContact CB-CE 3.89Å; R148-M153 HydrophobicContact CG-CE 3.57Å; R148-M153 PolarHBondContact O-N 3.28Å; K151-M153 HydrophobicContact CB-CE 4.2Å; K151-M153 HydrophobicContact CB-CG 3.85Å; K151-M153 HydrophobicContact CB-SD 4.41Å; K151-M153 HydrophobicContact CD-CE 4.15Å; K151-M153 HydrophobicContact CD-SD 4.42Å; K151-M153 PolarHBondContact O-N 3.08Å; K151-M153 VanDerWaalsContact O-N 3.12Å
154	E	71.7	Confident	73.1	Confident	164 Å²	164	115.1 Å²	115.1	77%	0.766	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-52.8	147.1	174.5	-68.2	179.9	170.1	0	0	111.3	R148 M156	R148-E154 PolarHBondContact NH2-O 2.99Å; E154-M156 PolarHBondContact O-N 3.22Å
155	P	67.1	Low	71.3	Confident	117 Å²	117	118.7 Å²	118.7	76%	0.76	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-52.7	143.4	177.7	23	-32.8	0	0	0	109.4	A157	P155-A157 PolarHBondContact O-N 3.48Å
156	M	64.9	Low	69.3	Low	124 Å²	124	120.4 Å²	120.4	61%	0.611	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-54.3	120.8	174.4	-67.2	-175.2	-159.2	0	0	107.5	R148 E154 T158	R148-M156 VanDerWaalsContact CD-CE 3.46Å; R148-M156 VanDerWaalsContact CZ-CG 3.47Å; E154-M156 PolarHBondContact O-N 3.22Å; M156-T158 PolarHBondContact O-N 3.02Å
157	A	66.5	Low	67.2	Low	90 Å²	90	122.6 Å²	122.6	74%	0.744	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-51.3	130.4	172.4	0	0	0	0	0	107.6	P155 L159	P155-A157 PolarHBondContact O-N 3.48Å; A157-L159 PolarHBondContact O-N 3.21Å
158	T	68.2	Low	64.9	Low	130 Å²	130	126.8 Å²	126.8	80%	0.798	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-56.5	128.4	174.1	45.1	0	0	0	0	107.3	M156	M156-T158 PolarHBondContact O-N 3.02Å
159	L	67.1	Low	62.8	Low	120 Å²	120	134 Å²	134	63%	0.628	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-54.4	127.8	171.6	-74.6	157.1	0	0	0	106.7	A157 Y161 A163 F164	A157-L159 PolarHBondContact O-N 3.21Å; L159-Y161 PolarHBondContact O-N 2.82Å; L159-A163 HydrophobicContact CB-CB 4.48Å; L159-A163 HydrophobicContact CD2-CB 4.5Å; L159-F164 HydrophobicContact CB-CE2 4.18Å; L159-F164 HydrophobicContact CB-CZ 4.33Å; L159-F164 HydrophobicContact CD1-CZ 4.42Å
160	P	64.4	Low	61.8	Low	78 Å²	78	133.7 Å²	133.7	51%	0.506	70%	0.704	S	S	.	*	P	Polyproline II helix	trans	-59.1	141.9	177.7	26.9	-34.4	0	0	0	107.9	S162 A163	P160-S162 WeakPolarHBondContact CB-OG 3.46Å; P160-S162 PolarHBondContact O-N 3.3Å; P160-A163 HydrophobicContact CG-CB 4.43Å; P160-A163 WeakPolarHBondContact O-CB 3.33Å; P160-A163 PolarHBondContact O-N 2.91Å
161	Y	58.7	Low	60.5	Low	218 Å²	218	134.1 Å²	134.1	86%	0.855	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-52.9	-24.1	179.8	-89.6	-85	0	0	0	112.9	L159 A163 F164	L159-Y161 PolarHBondContact O-N 2.82Å; Y161-A163 PolarHBondContact O-N 2.83Å; Y161-F164 PolarHBondContact O-N 3.22Å
162	S	61.7	Low	59.1	Low	79 Å²	79	133.7 Å²	133.7	55%	0.552	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-64	-19	173.5	55	0	0	0	0	115	P160 F164	P160-S162 WeakPolarHBondContact CB-OG 3.46Å; P160-S162 PolarHBondContact O-N 3.3Å; S162-F164 VanDerWaalsContact C-N 3.29Å
163	A	59.5	Low	57.8	Low	63 Å²	63	130.3 Å²	130.3	52%	0.521	70%	0.698	S	S	.	*	G	3₁₀ helix	trans	-77.6	-13.8	175.9	0	0	0	0	0	113.1	L159 P160 Y161 K165	L159-A163 HydrophobicContact CB-CB 4.48Å; L159-A163 HydrophobicContact CD2-CB 4.5Å; P160-A163 HydrophobicContact CG-CB 4.43Å; P160-A163 WeakPolarHBondContact O-CB 3.33Å; P160-A163 PolarHBondContact O-N 2.91Å; Y161-A163 PolarHBondContact O-N 2.83Å; A163-K165 VanDerWaalsContact C-N 3.31Å
164	F	58.6	Low	56.8	Low	126 Å²	126	133 Å²	133	55%	0.553	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-92.4	15.9	174.8	-58.8	-82.6	0	0	0	112.7	L159 Y161 S162 D166	L159-F164 HydrophobicContact CB-CE2 4.18Å; L159-F164 HydrophobicContact CB-CZ 4.33Å; L159-F164 HydrophobicContact CD1-CZ 4.42Å; Y161-F164 PolarHBondContact O-N 3.22Å; S162-F164 VanDerWaalsContact C-N 3.29Å; F164-D166 PolarHBondContact O-N 3.23Å
165	K	44.6	Very low	55.8	Low	172 Å²	172	130.9 Å²	130.9	75%	0.748	71%	0.712	S	S	*	*			trans	-68.8	85.3	171	-85.8	-173.7	171.3	-177.2	0	109.4	A163	A163-K165 VanDerWaalsContact C-N 3.31Å
166	D	39.2	Very low	55	Low	132 Å²	132	131.9 Å²	131.9	71%	0.706	71%	0.708	S	S	*	*			trans	171.3	79.2	133.2	-77.5	-18.5	0	0	0	108.9	F164 N168	F164-D166 PolarHBondContact O-N 3.23Å; D166-N168 PolarHBondContact O-N 3.43Å; D166-N168 VanDerWaalsContact O-N 3.17Å
167	C	42.2	Very low	54.2	Low	122 Å²	122	132.5 Å²	132.5	82%	0.824	72%	0.716	S	S	*	*			trans	-78.9	26.4	173.4	-71.6	0	0	0	0	113.7
168	N	35.4	Very low	53.2	Low	155 Å²	155	136.1 Å²	136.1	83%	0.829	71%	0.714	S	S	*	*			trans	-123.9	87.4	177.2	-75.8	-26.7	0	0	0	110.3	D166	D166-N168 PolarHBondContact O-N 3.43Å; D166-N168 VanDerWaalsContact O-N 3.17Å
169	F	38.2	Very low	51.8	Low	238 Å²	238	136.6 Å²	136.6	100%	1.044	71%	0.706	S	S	*	*			trans	-140.5	0	164.7	-91.1	-75.3	0	0	0	110.6

Retrieved 169 of 169 residues in 35.5 ms (Link to these results)

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