A0A077ZMC9_TRITR Loading...

Putative cytochrome b5

AlphaFold DB , UniProt , Accession A0A077ZMC9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 199 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	34	Very low	41	Very low	237 Å²	237	105.7 Å²	105.7	100%	1.167	54%	0.54	S	S	*	.				0	119	0	-68.9	-158.8	-98.9	0	0	108.2	I3	M1-I3 PolarHBondContact O-N 3.29Å; M1-I3 VanDerWaalsContact O-N 3.1Å
2	A	34.1	Very low	41.1	Very low	104 Å²	104	102.5 Å²	102.5	86%	0.86	52%	0.524	S	S	*	.			trans	-77.7	94.7	177.8	0	0	0	0	0	108	S4	A2-S4 PolarHBondContact O-N 3.38Å
3	I	40.1	Very low	41	Very low	125 Å²	125	98.5 Å²	98.5	64%	0.641	51%	0.507	S	S	*	.			trans	-52.2	113.4	166.3	-69	163.2	0	0	0	105.8	M1 W5 V7	M1-I3 PolarHBondContact O-N 3.29Å; M1-I3 VanDerWaalsContact O-N 3.1Å; I3-W5 PolarHBondContact O-N 3.11Å; I3-V7 HydrophobicContact CG2-CB 4.4Å; I3-V7 HydrophobicContact CG2-CG1 4.44Å
4	S	42.5	Very low	41.1	Very low	50 Å²	50	94.9 Å²	94.9	35%	0.35	49%	0.488	S	S	.	.			trans	-63.2	131.1	-177.9	96.7	0	0	0	0	106.9	A2 R6 V7 L8	A2-S4 PolarHBondContact O-N 3.38Å; S4-R6 PolarHBondContact O-N 3.41Å; S4-R6 WeakPolarHBondContact OG-CB 3.36Å; S4-V7 WeakPolarHBondContact O-CB 3.4Å; S4-V7 PolarHBondContact O-N 3.32Å; S4-V7 PolarHBondContact OG-N 2.98Å; S4-L8 PolarHBondContact O-N 3.32Å
5	W	41.2	Very low	41	Very low	170 Å²	170	95.7 Å²	95.7	64%	0.644	49%	0.492	S	S	*	.	H	α-helix	trans	-51.4	-22.8	177.4	62.4	-86.2	0	0	0	112.5	I3 L8 L9	I3-W5 PolarHBondContact O-N 3.11Å; W5-L8 PolarHBondContact O-N 2.9Å; W5-L9 HydrophobicContact CE3-CD1 3.4Å; W5-L9 HydrophobicContact CE3-CG 4.28Å; W5-L9 HydrophobicContact CZ3-CD1 3.35Å; W5-L9 WeakPolarHBondContact O-CG 3.43Å; W5-L9 PolarHBondContact O-N 3.33Å
6	R	40.3	Very low	40.6	Very low	170 Å²	170	94 Å²	94	64%	0.642	49%	0.491	S	S	*	.	H	α-helix	trans	-65	-42.6	173.2	-58.9	-177.8	174	178.6	-3.3	112.4	S4 L8 L9 V10	S4-R6 PolarHBondContact O-N 3.41Å; S4-R6 WeakPolarHBondContact OG-CB 3.36Å; R6-L8 VanDerWaalsContact C-N 3.29Å; R6-L8 PolarHBondContact O-N 3.35Å; R6-L9 PolarHBondContact O-N 3.49Å; R6-V10 VanDerWaalsContact O-CG2 3.3Å; R6-V10 WeakPolarHBondContact O-CG2 3.33Å; R6-V10 PolarHBondContact O-N 2.86Å
7	V	41.8	Very low	40.4	Very low	34 Å²	34	89.6 Å²	89.6	21%	0.206	47%	0.471	C	S	.	.	H	α-helix	trans	-63.9	-39.4	175.8	173.1	0	0	0	0	110.5	I3 S4 V10 M11 W56	I3-V7 HydrophobicContact CG2-CB 4.4Å; I3-V7 HydrophobicContact CG2-CG1 4.44Å; S4-V7 WeakPolarHBondContact O-CB 3.4Å; S4-V7 PolarHBondContact O-N 3.32Å; S4-V7 PolarHBondContact OG-N 2.98Å; V7-V10 PolarHBondContact O-N 3.22Å; V7-M11 WeakPolarHBondContact O-CG 3.23Å; V7-M11 PolarHBondContact O-N 2.84Å; V7-W56 HydrophobicContact CG1-CH2 4.4Å; V7-W56 HydrophobicContact CG1-CZ3 3.63Å
8	L	44.2	Very low	40.1	Very low	98 Å²	98	88.3 Å²	88.3	51%	0.513	48%	0.482	S	S	.	.	H	α-helix	trans	-67.7	-37.3	178.2	-151.9	144.4	0	0	0	111.4	S4 W5 R6 I12	S4-L8 PolarHBondContact O-N 3.32Å; W5-L8 PolarHBondContact O-N 2.9Å; R6-L8 VanDerWaalsContact C-N 3.29Å; R6-L8 PolarHBondContact O-N 3.35Å; L8-I12 HydrophobicContact CD2-CD1 3.66Å; L8-I12 HydrophobicContact CD2-CG1 4.46Å; L8-I12 VanDerWaalsContact O-CG1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.45Å; L8-I12 PolarHBondContact O-N 3.33Å
9	L	46	Very low	40	Very low	87 Å²	87	89 Å²	89	46%	0.455	49%	0.485	S	S	.	.	H	α-helix	trans	-67.7	-41.2	171.2	-74	176.3	0	0	0	112.7	W5 R6 M11 I12 V13	W5-L9 HydrophobicContact CE3-CD1 3.4Å; W5-L9 HydrophobicContact CE3-CG 4.28Å; W5-L9 HydrophobicContact CZ3-CD1 3.35Å; W5-L9 WeakPolarHBondContact O-CG 3.43Å; W5-L9 PolarHBondContact O-N 3.33Å; R6-L9 PolarHBondContact O-N 3.49Å; L9-M11 VanDerWaalsContact C-N 3.33Å; L9-M11 PolarHBondContact O-N 3.44Å; L9-I12 PolarHBondContact O-N 3.37Å; L9-V13 WeakPolarHBondContact O-CB 3.2Å; L9-V13 VanDerWaalsContact O-CG2 3.25Å; L9-V13 WeakPolarHBondContact O-CG2 3.5Å; L9-V13 PolarHBondContact O-N 3.05Å
10	V	43.5	Very low	39.7	Very low	26 Å²	26	87.1 Å²	87.1	16%	0.158	48%	0.482	C	S	.	.	H	α-helix	trans	-61.8	-42.2	176.5	168.7	0	0	0	0	110.7	R6 V7 V13 I14 W69	R6-V10 VanDerWaalsContact O-CG2 3.3Å; R6-V10 WeakPolarHBondContact O-CG2 3.33Å; R6-V10 PolarHBondContact O-N 2.86Å; V7-V10 PolarHBondContact O-N 3.22Å; V10-V13 PolarHBondContact O-N 2.81Å; V10-I14 HydrophobicContact CG1-CD1 3.72Å; V10-I14 HydrophobicContact CG1-CG1 4.41Å; V10-I14 VanDerWaalsContact O-CG1 3.23Å; V10-I14 WeakPolarHBondContact O-CG1 3.5Å; V10-I14 PolarHBondContact O-N 3.46Å; V10-W69 HydrophobicContact CG2-CD2 4.4Å; V10-W69 HydrophobicContact CG2-CZ2 4.24Å
11	M	43.2	Very low	39.5	Very low	62 Å²	62	91.3 Å²	91.3	31%	0.305	50%	0.498	S	S	.	.	H	α-helix	trans	-64.3	-42.8	174.2	-73.1	-144.9	120.1	0	0	113	V7 L9 V13 I14 I15 P55 W56	V7-M11 WeakPolarHBondContact O-CG 3.23Å; V7-M11 PolarHBondContact O-N 2.84Å; L9-M11 VanDerWaalsContact C-N 3.33Å; L9-M11 PolarHBondContact O-N 3.44Å; M11-V13 VanDerWaalsContact C-N 3.3Å; M11-V13 PolarHBondContact O-N 3.37Å; M11-I14 PolarHBondContact O-N 2.88Å; M11-I15 WeakPolarHBondContact O-CB 3.49Å; M11-I15 WeakPolarHBondContact O-CD1 3.39Å; M11-I15 VanDerWaalsContact O-CG1 3.22Å; M11-I15 WeakPolarHBondContact O-CG1 3.45Å; M11-I15 PolarHBondContact O-N 3Å; M11-P55 HydrophobicContact CE-CB 4.35Å; M11-P55 HydrophobicContact CE-CG 3.63Å; M11-W56 HydrophobicContact CE-CB 4.38Å
12	I	42.4	Very low	39.7	Very low	67 Å²	67	83.6 Å²	83.6	34%	0.344	46%	0.464	S	S	.	.	H	α-helix	trans	-63.2	-39.4	176.5	-71.4	169	0	0	0	110.7	L8 L9 S16	L8-I12 HydrophobicContact CD2-CD1 3.66Å; L8-I12 HydrophobicContact CD2-CG1 4.46Å; L8-I12 VanDerWaalsContact O-CG1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.45Å; L8-I12 PolarHBondContact O-N 3.33Å; L9-I12 PolarHBondContact O-N 3.37Å; I12-S16 WeakPolarHBondContact O-CB 3.48Å; I12-S16 PolarHBondContact O-N 2.93Å; I12-S16 PolarHBondContact O-OG 3.41Å
13	V	39.5	Very low	39.6	Very low	50 Å²	50	81.2 Å²	81.2	30%	0.303	45%	0.449	S	S	.	.	H	α-helix	trans	-67.6	-45.8	176.6	173.5	0	0	0	0	110.2	L9 V10 M11 I15 S16 S17 W69	L9-V13 WeakPolarHBondContact O-CB 3.2Å; L9-V13 VanDerWaalsContact O-CG2 3.25Å; L9-V13 WeakPolarHBondContact O-CG2 3.5Å; L9-V13 PolarHBondContact O-N 3.05Å; V10-V13 PolarHBondContact O-N 2.81Å; M11-V13 VanDerWaalsContact C-N 3.3Å; M11-V13 PolarHBondContact O-N 3.37Å; V13-I15 VanDerWaalsContact C-N 3.32Å; V13-I15 PolarHBondContact O-N 2.82Å; V13-S16 CarbonylContact O-C 3.6Å; V13-S16 PolarHBondContact O-N 2.94Å; V13-S16 VanDerWaalsContact O-N 3.16Å; V13-S17 WeakPolarHBondContact CG1-OG 3.3Å; V13-S17 WeakPolarHBondContact O-CB 3.47Å; V13-S17 PolarHBondContact O-N 3.15Å; V13-S17 PolarHBondContact O-OG 3.36Å; V13-W69 HydrophobicContact CB-CZ2 4.46Å; V13-W69 HydrophobicContact CG1-CZ2 4.08Å
14	I	42.3	Very low	39.5	Very low	48 Å²	48	81.1 Å²	81.1	25%	0.246	46%	0.457	C	S	.	.	H	α-helix	trans	-58.1	-45	176.9	-68.6	164.4	0	0	0	111.1	V10 M11 S17 G18	V10-I14 HydrophobicContact CG1-CD1 3.72Å; V10-I14 HydrophobicContact CG1-CG1 4.41Å; V10-I14 VanDerWaalsContact O-CG1 3.23Å; V10-I14 WeakPolarHBondContact O-CG1 3.5Å; V10-I14 PolarHBondContact O-N 3.46Å; M11-I14 PolarHBondContact O-N 2.88Å; I14-S17 PolarHBondContact O-N 3.34Å; I14-G18 PolarHBondContact O-N 3.15Å; I14-G18 VanDerWaalsContact O-N 3.1Å
15	I	39.6	Very low	39.3	Very low	108 Å²	108	82.4 Å²	82.4	55%	0.554	46%	0.464	S	S	*	.	H	α-helix	trans	-67.7	-37	178	-64.5	164.4	0	0	0	111.5	M11 V13	M11-I15 WeakPolarHBondContact O-CB 3.49Å; M11-I15 WeakPolarHBondContact O-CD1 3.39Å; M11-I15 VanDerWaalsContact O-CG1 3.22Å; M11-I15 WeakPolarHBondContact O-CG1 3.45Å; M11-I15 PolarHBondContact O-N 3Å; V13-I15 VanDerWaalsContact C-N 3.32Å; V13-I15 PolarHBondContact O-N 2.82Å
16	S	35.6	Very low	39.1	Very low	68 Å²	68	78.4 Å²	78.4	48%	0.476	46%	0.46	S	S	.	.	H	α-helix	trans	-82.5	-16.7	-179.7	-51.1	0	0	0	0	113.7	I12 V13	I12-S16 WeakPolarHBondContact O-CB 3.48Å; I12-S16 PolarHBondContact O-N 2.93Å; I12-S16 PolarHBondContact O-OG 3.41Å; V13-S16 CarbonylContact O-C 3.6Å; V13-S16 PolarHBondContact O-N 2.94Å; V13-S16 VanDerWaalsContact O-N 3.16Å
17	S	36.7	Very low	38.7	Very low	20 Å²	20	80 Å²	80	14%	0.14	47%	0.472	C	S	.	.	H	α-helix	trans	-99.1	-17.4	-178.8	-44.3	0	0	0	0	112.7	V13 I14 D19	V13-S17 WeakPolarHBondContact CG1-OG 3.3Å; V13-S17 WeakPolarHBondContact O-CB 3.47Å; V13-S17 PolarHBondContact O-N 3.15Å; V13-S17 PolarHBondContact O-OG 3.36Å; I14-S17 PolarHBondContact O-N 3.34Å; S17-D19 PolarHBondContact O-N 3.01Å
18	G	34.9	Very low	38.4	Very low	65 Å²	65	86.6 Å²	86.6	67%	0.67	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.4	171.6	0	0	0	0	0	113.1	I14	I14-G18 PolarHBondContact O-N 3.15Å; I14-G18 VanDerWaalsContact O-N 3.1Å
19	D	38.9	Very low	37.9	Very low	102 Å²	102	84.3 Å²	84.3	55%	0.545	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	7	-175.9	-67.9	-28.8	0	0	0	113.9	S17 E21 L132	S17-D19 PolarHBondContact O-N 3.01Å; D19-E21 PolarHBondContact O-N 2.89Å; D19-L132 HydrophobicContact CB-CD2 3.91Å; D19-L132 WeakPolarHBondContact OD1-CD2 3.21Å; D19-L132 WeakPolarHBondContact OD2-CD2 3.29Å
20	A	32.7	Very low	37.4	Very low	50 Å²	50	84.8 Å²	84.8	41%	0.413	50%	0.502	S	S	.	.			trans	-76.9	114.7	171	0	0	0	0	0	108	V22	A20-V22 HydrophobicContact CB-CG2 4.48Å; A20-V22 WeakPolarHBondContact O-CG2 3.34Å; A20-V22 PolarHBondContact O-N 3.37Å
21	E	36.1	Very low	37.3	Very low	176 Å²	176	86.5 Å²	86.5	82%	0.822	51%	0.511	S	S	*	.			trans	-57.1	75.3	166.8	-66.5	178.5	145	0	0	110.4	D19 G23	D19-E21 PolarHBondContact O-N 2.89Å; E21-G23 PolarHBondContact O-N 2.76Å; E21-G23 VanDerWaalsContact O-N 3.13Å
22	V	37.1	Very low	37.4	Very low	75 Å²	75	85.7 Å²	85.7	46%	0.455	50%	0.504	S	S	.	.			trans	-72.7	106.1	164.8	-156.7	0	0	0	0	103.9	A20 Y35	A20-V22 HydrophobicContact CB-CG2 4.48Å; A20-V22 WeakPolarHBondContact O-CG2 3.34Å; A20-V22 PolarHBondContact O-N 3.37Å; V22-Y35 HydrophobicContact CG2-CE2 3.86Å
23	G	33.6	Very low	37.1	Very low	54 Å²	54	86.9 Å²	86.9	56%	0.557	51%	0.505	S	S	*	.			trans	-44.4	157.6	-168.7	0	0	0	0	0	114.2	E21	E21-G23 PolarHBondContact O-N 2.76Å; E21-G23 VanDerWaalsContact O-N 3.13Å
24	P	38.1	Very low	37.5	Very low	124 Å²	124	86.7 Å²	86.7	81%	0.805	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-51.7	136.3	-170.2	21.8	-33.2	0	0	0	110.5
25	P	38.2	Very low	37.6	Very low	76 Å²	76	87.5 Å²	87.5	49%	0.494	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-54.5	150.7	176.5	22.6	-32.1	0	0	0	109.7
26	P	36.1	Very low	38.3	Very low	86 Å²	86	82.5 Å²	82.5	56%	0.558	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-46.4	145.2	177.9	-22.1	27.2	0	0	0	111.9	N28 T29	P26-N28 PolarHBondContact O-N 2.99Å; P26-T29 HydrophobicContact CB-CG2 4.48Å; P26-T29 WeakPolarHBondContact CD-OG1 3.48Å; P26-T29 PolarHBondContact O-N 3.23Å; P26-T29 PolarHBondContact O-OG1 3.22Å
27	K	32.3	Very low	39	Very low	204 Å²	204	79.7 Å²	79.7	89%	0.887	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	128.7	174.5	-74.5	-178	177.8	179.1	0	108.9
28	N	34.6	Very low	39.7	Very low	173 Å²	173	83.3 Å²	83.3	93%	0.925	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	14.3	-177.9	-55.6	-14.4	0	0	0	117.4	P26	P26-N28 PolarHBondContact O-N 2.99Å
29	T	33.4	Very low	40.5	Very low	49 Å²	49	81.8 Å²	81.8	30%	0.301	45%	0.445	S	S	.	.			trans	-113	119.2	169.6	47.8	0	0	0	0	111.2	P26 D31	P26-T29 HydrophobicContact CB-CG2 4.48Å; P26-T29 WeakPolarHBondContact CD-OG1 3.48Å; P26-T29 PolarHBondContact O-N 3.23Å; P26-T29 PolarHBondContact O-OG1 3.22Å; T29-D31 VanDerWaalsContact CB-CG 3.48Å; T29-D31 WeakPolarHBondContact CB-OD2 3.25Å; T29-D31 PolarHBondContact O-N 3.47Å; T29-D31 VanDerWaalsContact O-N 3.1Å
30	T	36.1	Very low	41.1	Very low	97 Å²	97	77.3 Å²	77.3	60%	0.595	42%	0.421	S	S	*	.			trans	-79.7	55.7	156.2	34.6	0	0	0	0	109	W78	T30-W78 PolarHBondContact O-N 2.93Å; T30-W78 PolarHBondContact OG1-O 2.69Å; T30-W78 VanDerWaalsContact OG1-O 3.13Å
31	D	41.7	Very low	41.9	Very low	62 Å²	62	78.6 Å²	78.6	33%	0.332	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.6	174	-75.9	-7.4	0	0	0	107.7	T29 G76 T77	T29-D31 VanDerWaalsContact CB-CG 3.48Å; T29-D31 WeakPolarHBondContact CB-OD2 3.25Å; T29-D31 PolarHBondContact O-N 3.47Å; T29-D31 VanDerWaalsContact O-N 3.1Å; D31-G76 CarbonylContact C-O 3.57Å; D31-G76 WeakPolarHBondContact CA-O 3.3Å; D31-T77 WeakPolarHBondContact OD1-CG2 3.49Å
32	W	44.7	Very low	42.5	Very low	45 Å²	45	75.8 Å²	75.8	17%	0.17	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.8	167.5	57.1	-78.8	0	0	0	108.2	H41 W74 G76 W78	W32-H41 HydrophobicContact CH2-CB 3.31Å; W32-H41 HydrophobicContact CZ2-CB 3.17Å; W32-H41 HydrophobicContact CZ3-CB 4.4Å; W32-W74 HydrophobicContact CH2-CB 4.28Å; W32-W74 HydrophobicContact CZ3-CB 4.17Å; W32-G76 PolarHBondContact N-O 2.9Å; W32-G76 PolarHBondContact NE1-O 3.42Å; W32-G76 PolarHBondContact O-N 3.31Å; W32-G76 VanDerWaalsContact O-N 3.1Å; W32-W78 AromaticContact CD1-CD1 2.82Å; W32-W78 AromaticContact CD1-CG 3.56Å; W32-W78 AromaticContact CD1-NE1 3.13Å; W32-W78 AromaticContact CD2-NE1 3.84Å; W32-W78 AromaticContact CG-CD1 3.28Å; W32-W78 HydrophobicContact CG-CG 4.35Å; W32-W78 AromaticContact CG-NE1 3.25Å; W32-W78 VanDerWaalsContact CG-NE1 3.25Å; W32-W78 AromaticContact NE1-CD1 3.49Å; W32-W78 AromaticContact NE1-CG 3.92Å; W32-W78 AromaticContact NE1-NE1 3.47Å
33	Y	37.7	Very low	43.1	Very low	93 Å²	93	72.5 Å²	72.5	37%	0.365	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.5	171.1	-171.9	-81.4	0	0	0	106.3	Y35 W72 T75	Y33-Y35 HydrophobicContact CD1-CD2 4.01Å; Y33-Y35 AromaticContact CD1-CE2 3.97Å; Y33-Y35 HydrophobicContact CD1-CE2 3.97Å; Y33-Y35 HydrophobicContact CE1-CD1 4.15Å; Y33-Y35 AromaticContact CE1-CD2 3.57Å; Y33-Y35 HydrophobicContact CE1-CD2 3.57Å; Y33-Y35 AromaticContact CE1-CE1 3.9Å; Y33-Y35 HydrophobicContact CE1-CE1 3.9Å; Y33-Y35 AromaticContact CE1-CE2 3.31Å; Y33-Y35 HydrophobicContact CE1-CE2 3.31Å; Y33-Y35 AromaticContact CE1-CG 4Å; Y33-Y35 HydrophobicContact CE1-CG 4Å; Y33-Y35 AromaticContact CE1-CZ 3.46Å; Y33-Y35 VanDerWaalsContact CE1-CZ 3.46Å; Y33-Y35 PolarHBondContact OH-OH 2.84Å; Y33-W72 PolarHBondContact OH-O 3.42Å; Y33-T75 HydrophobicContact CD2-CG2 3.7Å; Y33-T75 HydrophobicContact CE2-CG2 4.05Å
34	Y	46.5	Very low	43.7	Very low	45 Å²	45	75.6 Å²	75.6	18%	0.176	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.5	176.9	-164.6	-87.1	0	0	0	110.1	G36 M40 I48 G73 W74	Y34-G36 PolarHBondContact O-N 2.88Å; Y34-M40 HydrophobicContact CD1-CB 3.53Å; Y34-M40 HydrophobicContact CD1-CG 3.5Å; Y34-M40 VanDerWaalsContact CD1-CG 3.5Å; Y34-M40 HydrophobicContact CD1-SD 4.39Å; Y34-M40 HydrophobicContact CD2-CB 4.11Å; Y34-M40 HydrophobicContact CD2-CG 4.49Å; Y34-M40 HydrophobicContact CE1-CB 3.82Å; Y34-M40 HydrophobicContact CE1-CE 3.64Å; Y34-M40 HydrophobicContact CE1-CG 3.26Å; Y34-M40 HydrophobicContact CE1-SD 3.69Å; Y34-M40 HydrophobicContact CE2-CB 4.33Å; Y34-M40 HydrophobicContact CE2-CG 4.28Å; Y34-M40 HydrophobicContact CE2-SD 3.99Å; Y34-M40 HydrophobicContact CG-CB 3.71Å; Y34-M40 HydrophobicContact CG-CG 4.14Å; Y34-M40 VanDerWaalsContact CZ-CE 3.48Å; Y34-M40 WeakPolarHBondContact OH-CE 3.24Å; Y34-M40 PolarHBondContact OH-SD 3.42Å; Y34-I48 HydrophobicContact CE2-CD1 4.45Å; Y34-I48 HydrophobicContact CE2-CG2 3.89Å; Y34-G73 CarbonylContact O-C 3.14Å; Y34-G73 WeakPolarHBondContact O-CA 3.25Å; Y34-W74 PolarHBondContact N-O 3.49Å; Y34-W74 PolarHBondContact O-N 2.94Å
35	Y	43.8	Very low	44.1	Very low	66 Å²	66	77.4 Å²	77.4	26%	0.259	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	116.2	170.5	-86.8	-75.2	0	0	0	110	V22 Y33	V22-Y35 HydrophobicContact CG2-CE2 3.86Å; Y33-Y35 HydrophobicContact CD1-CD2 4.01Å; Y33-Y35 AromaticContact CD1-CE2 3.97Å; Y33-Y35 HydrophobicContact CD1-CE2 3.97Å; Y33-Y35 HydrophobicContact CE1-CD1 4.15Å; Y33-Y35 AromaticContact CE1-CD2 3.57Å; Y33-Y35 HydrophobicContact CE1-CD2 3.57Å; Y33-Y35 AromaticContact CE1-CE1 3.9Å; Y33-Y35 HydrophobicContact CE1-CE1 3.9Å; Y33-Y35 AromaticContact CE1-CE2 3.31Å; Y33-Y35 HydrophobicContact CE1-CE2 3.31Å; Y33-Y35 AromaticContact CE1-CG 4Å; Y33-Y35 HydrophobicContact CE1-CG 4Å; Y33-Y35 AromaticContact CE1-CZ 3.46Å; Y33-Y35 VanDerWaalsContact CE1-CZ 3.46Å; Y33-Y35 PolarHBondContact OH-OH 2.84Å
36	G	55	Low	44.6	Very low	2 Å²	2	82.2 Å²	82.2	2%	0.021	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	128.5	-118.3	170.5	0	0	0	0	0	113.9	Y34 S70 W74	Y34-G36 PolarHBondContact O-N 2.88Å; G36-S70 PolarHBondContact O-N 2.67Å; G36-W74 PolarHBondContact O-NE1 3.47Å
37	F	50.7	Low	45	Very low	9 Å²	9	79 Å²	79	4%	0.039	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.7	-166.9	-69.9	-75.6	0	0	0	113.2	V39 M40 M59 I64 E68 W69	F37-V39 VanDerWaalsContact C-N 3.27Å; F37-V39 PolarHBondContact O-N 3.3Å; F37-M40 HydrophobicContact CB-CG 4.3Å; F37-M40 WeakPolarHBondContact O-CB 3.46Å; F37-M40 VanDerWaalsContact O-CG 3.28Å; F37-M40 WeakPolarHBondContact O-CG 3.26Å; F37-M40 PolarHBondContact O-N 2.93Å; F37-M59 HydrophobicContact CE2-CG 4Å; F37-M59 HydrophobicContact CE2-SD 4.21Å; F37-M59 HydrophobicContact CZ-CG 4.15Å; F37-M59 HydrophobicContact CZ-SD 4.2Å; F37-I64 HydrophobicContact CB-CD1 3.62Å; F37-I64 HydrophobicContact CB-CG2 3.96Å; F37-I64 HydrophobicContact CD1-CB 3.85Å; F37-I64 HydrophobicContact CD1-CD1 4.2Å; F37-I64 HydrophobicContact CD1-CG2 3.18Å; F37-I64 HydrophobicContact CD2-CD1 3.86Å; F37-I64 HydrophobicContact CE1-CB 4Å; F37-I64 HydrophobicContact CE1-CG2 3.71Å; F37-I64 HydrophobicContact CG-CB 4.19Å; F37-I64 HydrophobicContact CG-CD1 3.64Å; F37-I64 HydrophobicContact CG-CG2 3.72Å; F37-E68 HydrophobicContact CD1-CB 4.42Å; F37-W69 HydrophobicContact CD1-CB 3.96Å; F37-W69 HydrophobicContact CE1-CB 3.76Å; F37-W69 HydrophobicContact CE1-CG 4.48Å; F37-W69 HydrophobicContact CZ-CB 4.24Å
38	K	51.8	Low	45.8	Very low	97 Å²	97	70.3 Å²	70.3	42%	0.422	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-58	-38.7	-179.5	-165.2	180	-178.7	-174.4	0	112.9	M40 H41 E68 W74	K38-M40 PolarHBondContact O-N 3.49Å; K38-H41 PolarHBondContact O-N 2.86Å; K38-H41 PolarHBondContact O-ND1 3.47Å; K38-E68 HydrophobicContact CB-CB 4.17Å; K38-E68 PolarHBondContact N-O 3.16Å; K38-W74 HydrophobicContact CB-CD2 3.96Å; K38-W74 VanDerWaalsContact CB-CE2 3.49Å; K38-W74 HydrophobicContact CB-CE3 4.46Å; K38-W74 HydrophobicContact CB-CG 4.46Å; K38-W74 HydrophobicContact CB-CH2 4.2Å; K38-W74 HydrophobicContact CB-CZ2 3.64Å; K38-W74 HydrophobicContact CD-CE3 4.29Å; K38-W74 HydrophobicContact CD-CH2 3.64Å; K38-W74 HydrophobicContact CD-CZ2 3.95Å; K38-W74 HydrophobicContact CD-CZ3 3.82Å; K38-W74 HydrophobicContact CG-CD2 3.82Å; K38-W74 HydrophobicContact CG-CE3 3.86Å; K38-W74 HydrophobicContact CG-CH2 3.93Å; K38-W74 HydrophobicContact CG-CZ2 3.87Å; K38-W74 HydrophobicContact CG-CZ3 3.92Å; K38-W74 VanDerWaalsContact N-NE1 3.15Å
39	V	51.1	Low	46.4	Very low	33 Å²	33	66.2 Å²	66.2	20%	0.2	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-56.5	-20.4	-177.8	-179.2	0	0	0	0	113.8	F37 H41 D42 F62 I64 E68	F37-V39 VanDerWaalsContact C-N 3.27Å; F37-V39 PolarHBondContact O-N 3.3Å; V39-H41 PolarHBondContact O-N 3.29Å; V39-D42 PolarHBondContact O-N 2.76Å; V39-F62 HydrophobicContact CG1-CB 4.29Å; V39-F62 HydrophobicContact CG1-CD1 3.9Å; V39-F62 HydrophobicContact CG1-CG 4.22Å; V39-I64 HydrophobicContact CB-CD1 4.29Å; V39-I64 HydrophobicContact CG2-CG1 4.45Å; V39-I64 HydrophobicContact CG2-CG2 4.01Å; V39-E68 VanDerWaalsContact CG2-OE2 3.28Å; V39-E68 WeakPolarHBondContact CG2-OE2 3.5Å
40	M	50.9	Low	46.8	Very low	8 Å²	8	66.6 Å²	66.6	4%	0.039	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-61.7	-17.5	-178.1	-65.5	-81.8	-164.9	0	0	113.6	Y34 F37 K38 D42 V43 M58	Y34-M40 HydrophobicContact CD1-CB 3.53Å; Y34-M40 HydrophobicContact CD1-CG 3.5Å; Y34-M40 VanDerWaalsContact CD1-CG 3.5Å; Y34-M40 HydrophobicContact CD1-SD 4.39Å; Y34-M40 HydrophobicContact CD2-CB 4.11Å; Y34-M40 HydrophobicContact CD2-CG 4.49Å; Y34-M40 HydrophobicContact CE1-CB 3.82Å; Y34-M40 HydrophobicContact CE1-CE 3.64Å; Y34-M40 HydrophobicContact CE1-CG 3.26Å; Y34-M40 HydrophobicContact CE1-SD 3.69Å; Y34-M40 HydrophobicContact CE2-CB 4.33Å; Y34-M40 HydrophobicContact CE2-CG 4.28Å; Y34-M40 HydrophobicContact CE2-SD 3.99Å; Y34-M40 HydrophobicContact CG-CB 3.71Å; Y34-M40 HydrophobicContact CG-CG 4.14Å; Y34-M40 VanDerWaalsContact CZ-CE 3.48Å; Y34-M40 WeakPolarHBondContact OH-CE 3.24Å; Y34-M40 PolarHBondContact OH-SD 3.42Å; F37-M40 HydrophobicContact CB-CG 4.3Å; F37-M40 WeakPolarHBondContact O-CB 3.46Å; F37-M40 VanDerWaalsContact O-CG 3.28Å; F37-M40 WeakPolarHBondContact O-CG 3.26Å; F37-M40 PolarHBondContact O-N 2.93Å; K38-M40 PolarHBondContact O-N 3.49Å; M40-D42 VanDerWaalsContact C-N 3.3Å; M40-D42 PolarHBondContact O-N 2.88Å; M40-V43 PolarHBondContact O-N 2.96Å; M40-V43 HydrophobicContact SD-CG2 4.44Å; M40-M58 HydrophobicContact CE-CB 4.3Å; M40-M58 HydrophobicContact CE-CE 3.45Å; M40-M58 VanDerWaalsContact CE-CE 3.45Å; M40-M58 HydrophobicContact CE-SD 4.08Å; M40-M58 HydrophobicContact SD-CE 3.21Å; M40-M58 WeakPolarHBondContact SD-CE 3.33Å
41	H	49.9	Very low	47.3	Very low	77 Å²	77	64.3 Å²	64.3	36%	0.356	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-64.2	-29.8	170.6	77.5	-69.3	0	0	0	114.6	W32 K38 V39 V43 W78	W32-H41 HydrophobicContact CH2-CB 3.31Å; W32-H41 HydrophobicContact CZ2-CB 3.17Å; W32-H41 HydrophobicContact CZ3-CB 4.4Å; K38-H41 PolarHBondContact O-N 2.86Å; K38-H41 PolarHBondContact O-ND1 3.47Å; V39-H41 PolarHBondContact O-N 3.29Å; H41-V43 VanDerWaalsContact C-N 3.32Å; H41-W78 WeakPolarHBondContact O-CH2 3.38Å; H41-W78 WeakPolarHBondContact O-CZ2 3.37Å
42	D	48.9	Very low	47.5	Very low	117 Å²	117	66.9 Å²	66.9	63%	0.626	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-88	-7.9	-178.9	-69.4	-39.3	0	0	0	111.8	V39 M40	V39-D42 PolarHBondContact O-N 2.76Å; M40-D42 VanDerWaalsContact C-N 3.3Å; M40-D42 PolarHBondContact O-N 2.88Å
43	V	49.1	Very low	47.6	Very low	5 Å²	5	72.4 Å²	72.4	3%	0.03	35%	0.353	C	S	.	.	S	Bend	trans	-88.5	119.5	-173.8	-172.4	0	0	0	0	109.6	M40 H41 R45 A47 I48 M58 F62 W78	M40-V43 PolarHBondContact O-N 2.96Å; M40-V43 HydrophobicContact SD-CG2 4.44Å; H41-V43 VanDerWaalsContact C-N 3.32Å; V43-R45 PolarHBondContact O-N 2.9Å; V43-A47 HydrophobicContact CG1-CB 3.75Å; V43-I48 HydrophobicContact CB-CD1 4.21Å; V43-I48 HydrophobicContact CB-CG1 3.98Å; V43-I48 HydrophobicContact CG1-CD1 4.4Å; V43-I48 HydrophobicContact CG1-CG1 3.63Å; V43-M58 HydrophobicContact CG1-CE 4.25Å; V43-F62 HydrophobicContact CB-CZ 4.01Å; V43-F62 HydrophobicContact CG1-CE1 4.47Å; V43-F62 HydrophobicContact CG1-CE2 4.16Å; V43-F62 HydrophobicContact CG1-CZ 3.59Å; V43-F62 HydrophobicContact CG2-CD1 4.19Å; V43-F62 HydrophobicContact CG2-CD2 4.41Å; V43-F62 HydrophobicContact CG2-CE1 3.41Å; V43-F62 VanDerWaalsContact CG2-CE1 3.41Å; V43-F62 HydrophobicContact CG2-CE2 3.69Å; V43-F62 HydrophobicContact CG2-CZ 3.15Å; V43-W78 VanDerWaalsContact O-CH2 3.26Å; V43-W78 WeakPolarHBondContact O-CH2 3.45Å; V43-W78 VanDerWaalsContact O-CZ2 3.3Å; V43-W78 WeakPolarHBondContact O-CZ2 3.44Å
44	Q	47.2	Very low	48	Very low	119 Å²	119	71.1 Å²	71.1	56%	0.556	35%	0.353	S	S	*	.			trans	-55.3	134	174.7	-63.8	-179.3	-10.6	0	0	109.9	W46 A47 I48	Q44-W46 VanDerWaalsContact CB-NE1 3.33Å; Q44-W46 PolarHBondContact O-N 2.88Å; Q44-A47 WeakPolarHBondContact O-CA 3.36Å; Q44-A47 WeakPolarHBondContact O-CB 3.42Å; Q44-A47 PolarHBondContact O-N 3.48Å; Q44-I48 PolarHBondContact O-N 2.91Å
45	R	46.1	Very low	48.1	Very low	162 Å²	162	70.6 Å²	70.6	61%	0.611	36%	0.355	S	S	*	.	H	α-helix	trans	-49.5	-38.7	-172.9	-173.5	173.8	177.1	174.3	1	114.2	V43 A47 I48 D49	V43-R45 PolarHBondContact O-N 2.9Å; R45-A47 VanDerWaalsContact C-N 3.27Å; R45-A47 PolarHBondContact O-N 2.97Å; R45-I48 WeakPolarHBondContact O-CB 3.38Å; R45-I48 PolarHBondContact O-N 3.41Å; R45-I48 VanDerWaalsContact O-N 3.14Å; R45-D49 PolarHBondContact O-N 2.89Å
46	W	48.5	Very low	48.1	Very low	177 Å²	177	72.5 Å²	72.5	67%	0.67	36%	0.362	S	S	*	.	H	α-helix	trans	-64.4	-28.9	177.6	67.9	-94.9	0	0	0	113.7	Q44 I48 G50	Q44-W46 VanDerWaalsContact CB-NE1 3.33Å; Q44-W46 PolarHBondContact O-N 2.88Å; W46-I48 VanDerWaalsContact C-N 3.35Å; W46-G50 PolarHBondContact O-N 2.91Å
47	A	44.8	Very low	47.9	Very low	18 Å²	18	76.2 Å²	76.2	15%	0.149	38%	0.381	C	S	.	.	H	α-helix	trans	-78.2	-24.8	177.7	0	0	0	0	0	111.9	V43 Q44 R45 N51	V43-A47 HydrophobicContact CG1-CB 3.75Å; Q44-A47 WeakPolarHBondContact O-CA 3.36Å; Q44-A47 WeakPolarHBondContact O-CB 3.42Å; Q44-A47 PolarHBondContact O-N 3.48Å; R45-A47 VanDerWaalsContact C-N 3.27Å; R45-A47 PolarHBondContact O-N 2.97Å; A47-N51 WeakPolarHBondContact O-CB 3.28Å; A47-N51 PolarHBondContact O-ND2 3.23Å
48	I	49.7	Very low	47.8	Very low	23 Å²	23	76 Å²	76	12%	0.118	38%	0.38	C	S	.	.	H	α-helix	trans	-72.8	-52.4	167.5	-53.2	-178.3	0	0	0	108.8	Y34 V43 Q44 R45 W46 G50 N51 L52 M58	Y34-I48 HydrophobicContact CE2-CD1 4.45Å; Y34-I48 HydrophobicContact CE2-CG2 3.89Å; V43-I48 HydrophobicContact CB-CD1 4.21Å; V43-I48 HydrophobicContact CB-CG1 3.98Å; V43-I48 HydrophobicContact CG1-CD1 4.4Å; V43-I48 HydrophobicContact CG1-CG1 3.63Å; Q44-I48 PolarHBondContact O-N 2.91Å; R45-I48 WeakPolarHBondContact O-CB 3.38Å; R45-I48 PolarHBondContact O-N 3.41Å; R45-I48 VanDerWaalsContact O-N 3.14Å; W46-I48 VanDerWaalsContact C-N 3.35Å; I48-G50 VanDerWaalsContact C-N 3.32Å; I48-G50 PolarHBondContact O-N 3.46Å; I48-N51 CarbonylContact O-C 3.57Å; I48-N51 PolarHBondContact O-N 2.96Å; I48-L52 PolarHBondContact O-N 3.36Å; I48-M58 HydrophobicContact CB-CE 4.31Å; I48-M58 HydrophobicContact CG1-CE 3.98Å; I48-M58 HydrophobicContact CG2-CE 4.41Å
49	D	47.4	Very low	47.7	Very low	86 Å²	86	73.4 Å²	73.4	46%	0.46	37%	0.37	S	S	.	.	H	α-helix	trans	-60.1	-40.6	-177.6	-66.8	-21	0	0	0	112.1	R45 N51	R45-D49 PolarHBondContact O-N 2.89Å; D49-N51 VanDerWaalsContact C-N 3.27Å; D49-N51 PolarHBondContact O-N 3.45Å
50	G	40.1	Very low	47.6	Very low	57 Å²	57	78 Å²	78	59%	0.588	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-10.4	178	0	0	0	0	0	115.3	W46 I48	W46-G50 PolarHBondContact O-N 2.91Å; I48-G50 VanDerWaalsContact C-N 3.32Å; I48-G50 PolarHBondContact O-N 3.46Å
51	N	46.9	Very low	47.4	Very low	50 Å²	50	81.3 Å²	81.3	27%	0.267	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	5.9	179.6	-78.3	-62.7	0	0	0	114.1	A47 I48 D49 D53 N54 M58	A47-N51 WeakPolarHBondContact O-CB 3.28Å; A47-N51 PolarHBondContact O-ND2 3.23Å; I48-N51 CarbonylContact O-C 3.57Å; I48-N51 PolarHBondContact O-N 2.96Å; D49-N51 VanDerWaalsContact C-N 3.27Å; D49-N51 PolarHBondContact O-N 3.45Å; N51-D53 PolarHBondContact O-N 3.25Å; N51-N54 CarbonylContact O-C 3.47Å; N51-N54 PolarHBondContact O-N 3.45Å; N51-M58 HydrophobicContact CB-CG 3.42Å; N51-M58 VanDerWaalsContact CB-CG 3.42Å; N51-M58 HydrophobicContact CB-SD 3.57Å; N51-M58 VanDerWaalsContact CB-SD 3.57Å
52	L	46.2	Very low	47.4	Very low	115 Å²	115	80.9 Å²	80.9	60%	0.602	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.5	170.6	-82	160.1	0	0	0	111.8	I48 N54	I48-L52 PolarHBondContact O-N 3.36Å; L52-N54 VanDerWaalsContact C-N 3.28Å; L52-N54 PolarHBondContact O-N 2.96Å
53	D	46.2	Very low	47.6	Very low	161 Å²	161	82.6 Å²	82.6	86%	0.861	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.7	176.5	-68.2	-28	0	0	0	113.9	N51	N51-D53 PolarHBondContact O-N 3.25Å
54	N	47.4	Very low	47.8	Very low	66 Å²	66	83.1 Å²	83.1	35%	0.353	43%	0.429	S	S	.	.			trans	-146.9	71.4	-179.3	-158.7	-16.5	0	0	0	112.5	N51 L52 W56 N57	N51-N54 CarbonylContact O-C 3.47Å; N51-N54 PolarHBondContact O-N 3.45Å; L52-N54 VanDerWaalsContact C-N 3.28Å; L52-N54 PolarHBondContact O-N 2.96Å; N54-W56 PolarHBondContact O-N 3.19Å; N54-W56 WeakPolarHBondContact OD1-CB 3.25Å; N54-N57 HydrophobicContact CB-CB 4.42Å; N54-N57 PolarHBondContact ND2-ND2 3.12Å; N54-N57 VanDerWaalsContact ND2-ND2 3.15Å; N54-N57 WeakPolarHBondContact O-CB 3.38Å; N54-N57 PolarHBondContact O-N 3.16Å
55	P	49	Very low	48	Very low	34 Å²	34	82.3 Å²	82.3	22%	0.221	43%	0.428	C	S	.	.	H	α-helix	trans	-59.6	-20.3	179	21	-32.9	0	0	0	113.5	M11 N57 M58 M59	M11-P55 HydrophobicContact CE-CB 4.35Å; M11-P55 HydrophobicContact CE-CG 3.63Å; P55-N57 VanDerWaalsContact C-N 3.33Å; P55-M58 PolarHBondContact O-N 3.36Å; P55-M59 PolarHBondContact O-N 3.28Å; P55-M59 VanDerWaalsContact O-N 3.08Å
56	W	42.8	Very low	48.3	Very low	107 Å²	107	79.9 Å²	79.9	41%	0.405	43%	0.427	S	S	.	.	H	α-helix	trans	-63.1	-39.4	172.9	-172.2	-99.9	0	0	0	112.2	V7 M11 N54 M59 M60	V7-W56 HydrophobicContact CG1-CH2 4.4Å; V7-W56 HydrophobicContact CG1-CZ3 3.63Å; M11-W56 HydrophobicContact CE-CB 4.38Å; N54-W56 PolarHBondContact O-N 3.19Å; N54-W56 WeakPolarHBondContact OD1-CB 3.25Å; W56-M59 HydrophobicContact CD2-CE 4.47Å; W56-M59 HydrophobicContact CE3-CE 3.71Å; W56-M59 HydrophobicContact CH2-CE 3.88Å; W56-M59 HydrophobicContact CZ3-CE 3.35Å; W56-M59 PolarHBondContact O-N 2.88Å; W56-M60 WeakPolarHBondContact O-CB 3.46Å; W56-M60 VanDerWaalsContact O-CG 3.29Å; W56-M60 WeakPolarHBondContact O-CG 3.32Å; W56-M60 PolarHBondContact O-N 3.46Å
57	N	50.3	Low	48.6	Very low	79 Å²	79	75.7 Å²	75.7	42%	0.422	43%	0.425	S	S	.	.	H	α-helix	trans	-68.2	-36.5	177.9	-74.9	-7.7	0	0	0	111.6	N54 P55 A61	N54-N57 HydrophobicContact CB-CB 4.42Å; N54-N57 PolarHBondContact ND2-ND2 3.12Å; N54-N57 VanDerWaalsContact ND2-ND2 3.15Å; N54-N57 WeakPolarHBondContact O-CB 3.38Å; N54-N57 PolarHBondContact O-N 3.16Å; P55-N57 VanDerWaalsContact C-N 3.33Å; N57-A61 WeakPolarHBondContact O-CB 3.45Å; N57-A61 PolarHBondContact O-N 2.98Å
58	M	49.9	Very low	49	Very low	5 Å²	5	78 Å²	78	3%	0.025	43%	0.432	C	S	.	.	H	α-helix	trans	-64.5	-48.2	173.2	-78.5	178.8	89.2	0	0	111.5	M40 V43 I48 N51 P55 M60 A61 F62	M40-M58 HydrophobicContact CE-CB 4.3Å; M40-M58 HydrophobicContact CE-CE 3.45Å; M40-M58 VanDerWaalsContact CE-CE 3.45Å; M40-M58 HydrophobicContact CE-SD 4.08Å; M40-M58 HydrophobicContact SD-CE 3.21Å; M40-M58 WeakPolarHBondContact SD-CE 3.33Å; V43-M58 HydrophobicContact CG1-CE 4.25Å; I48-M58 HydrophobicContact CB-CE 4.31Å; I48-M58 HydrophobicContact CG1-CE 3.98Å; I48-M58 HydrophobicContact CG2-CE 4.41Å; N51-M58 HydrophobicContact CB-CG 3.42Å; N51-M58 VanDerWaalsContact CB-CG 3.42Å; N51-M58 HydrophobicContact CB-SD 3.57Å; N51-M58 VanDerWaalsContact CB-SD 3.57Å; P55-M58 PolarHBondContact O-N 3.36Å; M58-M60 PolarHBondContact O-N 2.84Å; M58-A61 PolarHBondContact O-N 3.29Å; M58-A61 VanDerWaalsContact O-N 3.09Å; M58-F62 HydrophobicContact CB-CD2 4.18Å; M58-F62 HydrophobicContact CB-CE2 4.21Å; M58-F62 HydrophobicContact CE-CE2 3.87Å; M58-F62 HydrophobicContact CG-CE2 4.17Å; M58-F62 WeakPolarHBondContact O-CD2 3.26Å; M58-F62 PolarHBondContact O-N 2.93Å
59	M	48.9	Very low	49	Very low	42 Å²	42	80.1 Å²	80.1	21%	0.207	44%	0.439	C	S	.	.	H	α-helix	trans	-60.2	-38.2	-178.4	-164.9	-179.3	71.5	0	0	111.9	F37 P55 W56	F37-M59 HydrophobicContact CE2-CG 4Å; F37-M59 HydrophobicContact CE2-SD 4.21Å; F37-M59 HydrophobicContact CZ-CG 4.15Å; F37-M59 HydrophobicContact CZ-SD 4.2Å; P55-M59 PolarHBondContact O-N 3.28Å; P55-M59 VanDerWaalsContact O-N 3.08Å; W56-M59 HydrophobicContact CD2-CE 4.47Å; W56-M59 HydrophobicContact CE3-CE 3.71Å; W56-M59 HydrophobicContact CH2-CE 3.88Å; W56-M59 HydrophobicContact CZ3-CE 3.35Å; W56-M59 PolarHBondContact O-N 2.88Å
60	M	48.7	Very low	48.9	Very low	129 Å²	129	77.2 Å²	77.2	64%	0.635	43%	0.425	S	S	*	.	H	α-helix	trans	-73.8	-36.3	174.2	-68.4	-96.7	-69	0	0	112.8	W56 M58 F62	W56-M60 WeakPolarHBondContact O-CB 3.46Å; W56-M60 VanDerWaalsContact O-CG 3.29Å; W56-M60 WeakPolarHBondContact O-CG 3.32Å; W56-M60 PolarHBondContact O-N 3.46Å; M58-M60 PolarHBondContact O-N 2.84Å; M60-F62 VanDerWaalsContact C-N 3.32Å; M60-F62 PolarHBondContact O-N 3.43Å
61	A	47.7	Very low	48.9	Very low	78 Å²	78	77.7 Å²	77.7	65%	0.645	42%	0.418	S	S	*	.	H	α-helix	trans	-70.3	-28.8	-178.4	0	0	0	0	0	113	N57 M58	N57-A61 WeakPolarHBondContact O-CB 3.45Å; N57-A61 PolarHBondContact O-N 2.98Å; M58-A61 PolarHBondContact O-N 3.29Å; M58-A61 VanDerWaalsContact O-N 3.09Å
62	F	50.4	Low	48.7	Very low	68 Å²	68	85.1 Å²	85.1	30%	0.298	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	3.3	-176.8	-69.9	-64.9	0	0	0	114.1	V39 V43 M58 M60 I64	V39-F62 HydrophobicContact CG1-CB 4.29Å; V39-F62 HydrophobicContact CG1-CD1 3.9Å; V39-F62 HydrophobicContact CG1-CG 4.22Å; V43-F62 HydrophobicContact CB-CZ 4.01Å; V43-F62 HydrophobicContact CG1-CE1 4.47Å; V43-F62 HydrophobicContact CG1-CE2 4.16Å; V43-F62 HydrophobicContact CG1-CZ 3.59Å; V43-F62 HydrophobicContact CG2-CD1 4.19Å; V43-F62 HydrophobicContact CG2-CD2 4.41Å; V43-F62 HydrophobicContact CG2-CE1 3.41Å; V43-F62 VanDerWaalsContact CG2-CE1 3.41Å; V43-F62 HydrophobicContact CG2-CE2 3.69Å; V43-F62 HydrophobicContact CG2-CZ 3.15Å; M58-F62 HydrophobicContact CB-CD2 4.18Å; M58-F62 HydrophobicContact CB-CE2 4.21Å; M58-F62 HydrophobicContact CE-CE2 3.87Å; M58-F62 HydrophobicContact CG-CE2 4.17Å; M58-F62 WeakPolarHBondContact O-CD2 3.26Å; M58-F62 PolarHBondContact O-N 2.93Å; M60-F62 VanDerWaalsContact C-N 3.32Å; M60-F62 PolarHBondContact O-N 3.43Å; F62-I64 HydrophobicContact CB-CD1 3.49Å; F62-I64 VanDerWaalsContact CB-CD1 3.49Å; F62-I64 HydrophobicContact CB-CG1 3.18Å; F62-I64 HydrophobicContact CD2-CD1 4.36Å; F62-I64 HydrophobicContact CG-CD1 4.23Å; F62-I64 HydrophobicContact CG-CG1 4.37Å; F62-I64 WeakPolarHBondContact O-CG1 3.43Å; F62-I64 PolarHBondContact O-N 2.91Å
63	D	51.5	Low	48.6	Very low	153 Å²	153	80.1 Å²	80.1	82%	0.818	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.8	42.4	-178.2	-159.1	20.4	0	0	0	112.4	D65	D63-D65 PolarHBondContact O-N 3.41Å
64	I	53.4	Low	48.5	Very low	17 Å²	17	76.3 Å²	76.3	9%	0.087	39%	0.392	C	S	.	.			trans	-78.3	125.3	-163.7	-42.7	177.5	0	0	0	109.9	F37 V39 F62 N66 E68	F37-I64 HydrophobicContact CB-CD1 3.62Å; F37-I64 HydrophobicContact CB-CG2 3.96Å; F37-I64 HydrophobicContact CD1-CB 3.85Å; F37-I64 HydrophobicContact CD1-CD1 4.2Å; F37-I64 HydrophobicContact CD1-CG2 3.18Å; F37-I64 HydrophobicContact CD2-CD1 3.86Å; F37-I64 HydrophobicContact CE1-CB 4Å; F37-I64 HydrophobicContact CE1-CG2 3.71Å; F37-I64 HydrophobicContact CG-CB 4.19Å; F37-I64 HydrophobicContact CG-CD1 3.64Å; F37-I64 HydrophobicContact CG-CG2 3.72Å; V39-I64 HydrophobicContact CB-CD1 4.29Å; V39-I64 HydrophobicContact CG2-CG1 4.45Å; V39-I64 HydrophobicContact CG2-CG2 4.01Å; F62-I64 HydrophobicContact CB-CD1 3.49Å; F62-I64 VanDerWaalsContact CB-CD1 3.49Å; F62-I64 HydrophobicContact CB-CG1 3.18Å; F62-I64 HydrophobicContact CD2-CD1 4.36Å; F62-I64 HydrophobicContact CG-CD1 4.23Å; F62-I64 HydrophobicContact CG-CG1 4.37Å; F62-I64 WeakPolarHBondContact O-CG1 3.43Å; F62-I64 PolarHBondContact O-N 2.91Å; I64-N66 PolarHBondContact O-N 3.29Å; I64-E68 HydrophobicContact CG2-CB 4.32Å
65	D	51.7	Low	48.3	Very low	101 Å²	101	78.5 Å²	78.5	54%	0.54	41%	0.408	S	S	.	.			trans	-62.6	128.8	168.9	-173.2	1.3	0	0	0	109.8	D63 S67 E68	D63-D65 PolarHBondContact O-N 3.41Å; D65-S67 PolarHBondContact O-N 3.38Å; D65-S67 PolarHBondContact OD1-N 3.45Å; D65-S67 VanDerWaalsContact OD1-N 3.16Å; D65-S67 WeakPolarHBondContact OD2-CB 3.39Å; D65-S67 PolarHBondContact OD2-OG 2.99Å; D65-E68 PolarHBondContact O-N 3.41Å
66	N	52	Low	48.2	Very low	111 Å²	111	77.7 Å²	77.7	59%	0.594	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-56.7	-18.1	175.9	-70.5	-56	0	0	0	112.9	I64 E68 W69	I64-N66 PolarHBondContact O-N 3.29Å; N66-E68 PolarHBondContact O-N 2.98Å; N66-W69 PolarHBondContact O-N 2.98Å
67	S	55	Low	48.2	Very low	89 Å²	89	77.5 Å²	77.5	62%	0.622	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-65.7	-21.6	174.5	72.3	0	0	0	0	113.9	D65	D65-S67 PolarHBondContact O-N 3.38Å; D65-S67 PolarHBondContact OD1-N 3.45Å; D65-S67 VanDerWaalsContact OD1-N 3.16Å; D65-S67 WeakPolarHBondContact OD2-CB 3.39Å; D65-S67 PolarHBondContact OD2-OG 2.99Å
68	E	53.7	Low	47.8	Very low	67 Å²	67	78.3 Å²	78.3	31%	0.313	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-91.3	1.4	-179.2	-58.8	-163.1	170.5	0	0	114	F37 K38 V39 I64 D65 N66 W74	F37-E68 HydrophobicContact CD1-CB 4.42Å; K38-E68 HydrophobicContact CB-CB 4.17Å; K38-E68 PolarHBondContact N-O 3.16Å; V39-E68 VanDerWaalsContact CG2-OE2 3.28Å; V39-E68 WeakPolarHBondContact CG2-OE2 3.5Å; I64-E68 HydrophobicContact CG2-CB 4.32Å; D65-E68 PolarHBondContact O-N 3.41Å; N66-E68 PolarHBondContact O-N 2.98Å; E68-W74 PolarHBondContact O-NE1 3.13Å
69	W	50.8	Low	47.2	Very low	68 Å²	68	82.7 Å²	82.7	26%	0.258	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123	176.6	-173.8	87	0	0	0	110.8	V10 V13 F37 N66 P71	V10-W69 HydrophobicContact CG2-CD2 4.4Å; V10-W69 HydrophobicContact CG2-CZ2 4.24Å; V13-W69 HydrophobicContact CB-CZ2 4.46Å; V13-W69 HydrophobicContact CG1-CZ2 4.08Å; F37-W69 HydrophobicContact CD1-CB 3.96Å; F37-W69 HydrophobicContact CE1-CB 3.76Å; F37-W69 HydrophobicContact CE1-CG 4.48Å; F37-W69 HydrophobicContact CZ-CB 4.24Å; N66-W69 PolarHBondContact O-N 2.98Å; W69-P71 HydrophobicContact CH2-CB 3.63Å; W69-P71 HydrophobicContact CH2-CG 4.43Å; W69-P71 HydrophobicContact CZ3-CB 3.69Å; W69-P71 HydrophobicContact CZ3-CG 4Å
70	S	45.5	Very low	46.5	Very low	24 Å²	24	86.1 Å²	86.1	17%	0.168	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.8	175.1	177.3	0	0	0	0	110.5	G36 W72 G73	G36-S70 PolarHBondContact O-N 2.67Å; S70-W72 PolarHBondContact O-N 3.37Å; S70-W72 PolarHBondContact OG-N 3.02Å; S70-G73 WeakPolarHBondContact CB-O 3.41Å; S70-G73 PolarHBondContact O-N 2.75Å; S70-G73 VanDerWaalsContact O-N 3.12Å; S70-G73 PolarHBondContact OG-N 2.96Å; S70-G73 PolarHBondContact OG-O 3.47Å
71	P	40	Very low	45.5	Very low	67 Å²	67	87 Å²	87	44%	0.435	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-18.2	170.7	27.5	-32	0	0	0	112.2	W69 G73	W69-P71 HydrophobicContact CH2-CB 3.63Å; W69-P71 HydrophobicContact CH2-CG 4.43Å; W69-P71 HydrophobicContact CZ3-CB 3.69Å; W69-P71 HydrophobicContact CZ3-CG 4Å; P71-G73 VanDerWaalsContact C-N 3.33Å
72	W	41.9	Very low	44.6	Very low	207 Å²	207	88.7 Å²	88.7	78%	0.784	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	5	177	-54.7	110.4	0	0	0	112.5	Y33 S70	Y33-W72 PolarHBondContact OH-O 3.42Å; S70-W72 PolarHBondContact O-N 3.37Å; S70-W72 PolarHBondContact OG-N 3.02Å
73	G	44.8	Very low	43.8	Very low	9 Å²	9	89.7 Å²	89.7	9%	0.093	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	66.1	-173.8	-176.5	0	0	0	0	0	114	Y34 S70 P71	Y34-G73 CarbonylContact O-C 3.14Å; Y34-G73 WeakPolarHBondContact O-CA 3.25Å; S70-G73 WeakPolarHBondContact CB-O 3.41Å; S70-G73 PolarHBondContact O-N 2.75Å; S70-G73 VanDerWaalsContact O-N 3.12Å; S70-G73 PolarHBondContact OG-N 2.96Å; S70-G73 PolarHBondContact OG-O 3.47Å; P71-G73 VanDerWaalsContact C-N 3.33Å
74	W	44	Very low	42.7	Very low	81 Å²	81	87.4 Å²	87.4	31%	0.307	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.3	173.5	-63.1	91.1	0	0	0	108.6	W32 Y34 G36 K38 E68	W32-W74 HydrophobicContact CH2-CB 4.28Å; W32-W74 HydrophobicContact CZ3-CB 4.17Å; Y34-W74 PolarHBondContact N-O 3.49Å; Y34-W74 PolarHBondContact O-N 2.94Å; G36-W74 PolarHBondContact O-NE1 3.47Å; K38-W74 HydrophobicContact CB-CD2 3.96Å; K38-W74 VanDerWaalsContact CB-CE2 3.49Å; K38-W74 HydrophobicContact CB-CE3 4.46Å; K38-W74 HydrophobicContact CB-CG 4.46Å; K38-W74 HydrophobicContact CB-CH2 4.2Å; K38-W74 HydrophobicContact CB-CZ2 3.64Å; K38-W74 HydrophobicContact CD-CE3 4.29Å; K38-W74 HydrophobicContact CD-CH2 3.64Å; K38-W74 HydrophobicContact CD-CZ2 3.95Å; K38-W74 HydrophobicContact CD-CZ3 3.82Å; K38-W74 HydrophobicContact CG-CD2 3.82Å; K38-W74 HydrophobicContact CG-CE3 3.86Å; K38-W74 HydrophobicContact CG-CH2 3.93Å; K38-W74 HydrophobicContact CG-CZ2 3.87Å; K38-W74 HydrophobicContact CG-CZ3 3.92Å; K38-W74 VanDerWaalsContact N-NE1 3.15Å; E68-W74 PolarHBondContact O-NE1 3.13Å
75	T	43.3	Very low	41.5	Very low	112 Å²	112	92.4 Å²	92.4	69%	0.687	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.9	171.4	52.1	0	0	0	0	108.9	Y33	Y33-T75 HydrophobicContact CD2-CG2 3.7Å; Y33-T75 HydrophobicContact CE2-CG2 4.05Å
76	G	45.2	Very low	40.4	Very low	18 Å²	18	93.5 Å²	93.5	19%	0.186	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	164	168.6	0	0	0	0	0	111.8	D31 W32	D31-G76 CarbonylContact C-O 3.57Å; D31-G76 WeakPolarHBondContact CA-O 3.3Å; W32-G76 PolarHBondContact N-O 2.9Å; W32-G76 PolarHBondContact NE1-O 3.42Å; W32-G76 PolarHBondContact O-N 3.31Å; W32-G76 VanDerWaalsContact O-N 3.1Å
77	T	43.8	Very low	39.2	Very low	103 Å²	103	92.5 Å²	92.5	63%	0.632	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.1	173.3	40.3	0	0	0	0	108.8	D31 T79	D31-T77 WeakPolarHBondContact OD1-CG2 3.49Å; T77-T79 PolarHBondContact O-N 3.16Å
78	W	41.4	Very low	37.9	Very low	96 Å²	96	97.4 Å²	97.4	36%	0.364	54%	0.539	S	S	.	.			trans	-80	114.8	160.1	-77.3	103.7	0	0	0	106.5	T30 W32 H41 V43 S80	T30-W78 PolarHBondContact O-N 2.93Å; T30-W78 PolarHBondContact OG1-O 2.69Å; T30-W78 VanDerWaalsContact OG1-O 3.13Å; W32-W78 AromaticContact CD1-CD1 2.82Å; W32-W78 AromaticContact CD1-CG 3.56Å; W32-W78 AromaticContact CD1-NE1 3.13Å; W32-W78 AromaticContact CD2-NE1 3.84Å; W32-W78 AromaticContact CG-CD1 3.28Å; W32-W78 HydrophobicContact CG-CG 4.35Å; W32-W78 AromaticContact CG-NE1 3.25Å; W32-W78 VanDerWaalsContact CG-NE1 3.25Å; W32-W78 AromaticContact NE1-CD1 3.49Å; W32-W78 AromaticContact NE1-CG 3.92Å; W32-W78 AromaticContact NE1-NE1 3.47Å; H41-W78 WeakPolarHBondContact O-CH2 3.38Å; H41-W78 WeakPolarHBondContact O-CZ2 3.37Å; V43-W78 VanDerWaalsContact O-CH2 3.26Å; V43-W78 WeakPolarHBondContact O-CH2 3.45Å; V43-W78 VanDerWaalsContact O-CZ2 3.3Å; V43-W78 WeakPolarHBondContact O-CZ2 3.44Å; W78-S80 PolarHBondContact O-N 2.85Å
79	T	37.7	Very low	36.6	Very low	96 Å²	96	99.3 Å²	99.3	59%	0.589	56%	0.555	S	S	*	*			trans	-67.8	121.3	161.6	40.1	0	0	0	0	107.4	T77 E81	T77-T79 PolarHBondContact O-N 3.16Å; T79-E81 PolarHBondContact O-N 3.49Å
80	S	33.3	Very low	35.5	Very low	114 Å²	114	101.9 Å²	101.9	80%	0.797	58%	0.579	S	S	*	*	S	Bend	trans	-68.6	-4.8	176.6	57.7	0	0	0	0	113.4	W78	W78-S80 PolarHBondContact O-N 2.85Å
81	E	28.5	Very low	34.5	Very low	147 Å²	147	106 Å²	106	69%	0.687	60%	0.603	S	S	*	*	S	Bend	trans	-64.7	134.6	163.4	-75.1	176.7	166.5	0	0	107.4	T79 S83	T79-E81 PolarHBondContact O-N 3.49Å; E81-S83 VanDerWaalsContact C-N 3.29Å; E81-S83 PolarHBondContact O-N 2.55Å
82	P	29.6	Very low	33.9	Very low	114 Å²	114	109.5 Å²	109.5	74%	0.74	62%	0.618	S	S	*	*			trans	-53.3	112.4	161.7	25.5	-29.3	0	0	0	103.7	T84	P82-T84 PolarHBondContact O-N 2.78Å
83	S	32.9	Very low	33.3	Very low	90 Å²	90	106.6 Å²	106.6	63%	0.629	62%	0.616	S	S	*	*			trans	-56.1	98	154	54.1	0	0	0	0	101.7	E81	E81-S83 VanDerWaalsContact C-N 3.29Å; E81-S83 PolarHBondContact O-N 2.55Å
84	T	28.4	Very low	32.5	Very low	104 Å²	104	117 Å²	117	64%	0.638	65%	0.653	S	S	*	*			trans	-37.7	123.8	153.7	30.3	0	0	0	0	103.1	P82 V86	P82-T84 PolarHBondContact O-N 2.78Å; T84-V86 PolarHBondContact O-N 3.16Å
85	P	28.9	Very low	32.1	Very low	122 Å²	122	119.5 Å²	119.5	79%	0.792	68%	0.677	S	S	*	*			trans	-53.1	106	171.7	21.5	-29.1	0	0	0	103	S87	P85-S87 PolarHBondContact O-N 3.45Å
86	V	27.2	Very low	31.7	Very low	125 Å²	125	121.3 Å²	121.3	76%	0.758	68%	0.683	S	S	*	*			trans	-65.5	99.1	170.2	179.5	0	0	0	0	99	T84 K88	T84-V86 PolarHBondContact O-N 3.16Å; V86-K88 PolarHBondContact O-N 2.87Å
87	S	26.9	Very low	31.6	Very low	89 Å²	89	125.6 Å²	125.6	62%	0.622	71%	0.707	S	S	*	*			trans	-52.9	106.1	177.1	55.5	0	0	0	0	103.3	P85 T89	P85-S87 PolarHBondContact O-N 3.45Å; S87-T89 PolarHBondContact O-N 3.37Å; S87-T89 PolarHBondContact O-OG1 2.67Å
88	K	28.7	Very low	31.2	Very low	192 Å²	192	125.8 Å²	125.8	84%	0.835	71%	0.71	S	S	*	*			trans	-61.5	99.1	161.8	-83.5	-175.4	179.4	173.4	0	101.7	V86 T90	V86-K88 PolarHBondContact O-N 2.87Å; K88-T90 PolarHBondContact O-N 3.02Å
89	T	25.6	Very low	30.8	Very low	107 Å²	107	127.1 Å²	127.1	66%	0.656	73%	0.728	S	S	*	*			trans	-64.5	85.1	168.2	-56.2	0	0	0	0	103.1	S87 T91	S87-T89 PolarHBondContact O-N 3.37Å; S87-T89 PolarHBondContact O-OG1 2.67Å; T89-T91 PolarHBondContact O-N 3.1Å
90	T	26.9	Very low	30.6	Very low	123 Å²	123	129 Å²	129	76%	0.755	74%	0.74	S	S	*	*			trans	-74.1	92.4	163.4	-44.9	0	0	0	0	103.2	K88 D92	K88-T90 PolarHBondContact O-N 3.02Å; T90-D92 PolarHBondContact O-N 3.41Å
91	T	25.4	Very low	30.8	Very low	110 Å²	110	132 Å²	132	68%	0.675	74%	0.741	S	S	*	*			trans	-60.7	85.8	169.1	-2.1	0	0	0	0	106.8	T89 I93	T89-T91 PolarHBondContact O-N 3.1Å; T91-I93 PolarHBondContact O-N 2.85Å
92	D	27.1	Very low	30.8	Very low	140 Å²	140	136.3 Å²	136.3	75%	0.749	75%	0.752	S	S	*	*			trans	-82.8	99.5	164.7	-153.8	-14.9	0	0	0	107.3	T90 R94	T90-D92 PolarHBondContact O-N 3.41Å; D92-R94 PolarHBondContact O-N 2.87Å
93	I	28.9	Very low	31	Very low	146 Å²	146	137.5 Å²	137.5	75%	0.749	76%	0.757	S	S	*	*	S	Bend	trans	-75	73.3	-177.6	-56	164.3	0	0	0	107	T91	T91-I93 PolarHBondContact O-N 2.85Å
94	R	29.3	Very low	31	Very low	228 Å²	228	139.6 Å²	139.6	86%	0.86	77%	0.766	S	S	*	*	S	Bend	trans	166.3	75.5	161	-100.1	164.9	165.9	-176.4	-3.2	111.2	D92	D92-R94 PolarHBondContact O-N 2.87Å
95	T	35.3	Very low	31.2	Very low	134 Å²	134	143.4 Å²	143.4	82%	0.822	78%	0.777	S	S	*	*			trans	-176.3	108	142.3	11.9	0	0	0	0	110.2
96	D	34.7	Very low	31.5	Very low	150 Å²	150	142.1 Å²	142.1	80%	0.802	78%	0.776	S	S	*	*			trans	-78	146.3	157.5	-96.2	-42	0	0	0	108.9
97	P	43.4	Very low	31.7	Very low	107 Å²	107	141 Å²	141	70%	0.695	77%	0.774	S	S	*	*	S	Bend	cis	-105.4	158.9	8.1	36.6	-27	0	0	0	113.3	V99	P97-V99 PolarHBondContact O-N 3.35Å
98	P	35	Very low	31.9	Very low	107 Å²	107	142.3 Å²	142.3	70%	0.695	78%	0.783	S	S	*	*			trans	-64.3	119.8	-180	25.8	-33.4	0	0	0	111	T100	P98-T100 PolarHBondContact O-N 3.35Å
99	V	32.6	Very low	32.1	Very low	124 Å²	124	142.2 Å²	142.2	75%	0.752	78%	0.783	S	S	*	*			trans	-75.7	106.7	171.2	-179.4	0	0	0	0	108.1	P97 E101	P97-V99 PolarHBondContact O-N 3.35Å; V99-E101 VanDerWaalsContact C-N 3.34Å; V99-E101 HydrophobicContact CG1-CG 4.19Å; V99-E101 PolarHBondContact O-N 2.86Å
100	T	34	Very low	32.7	Very low	137 Å²	137	143.3 Å²	143.3	84%	0.84	79%	0.79	S	S	*	*			trans	-71.5	86.8	171.7	-37.2	0	0	0	0	109.3	P98 R102	P98-T100 PolarHBondContact O-N 3.35Å; T100-R102 PolarHBondContact O-N 3.45Å
101	E	36.5	Very low	33	Very low	175 Å²	175	142.7 Å²	142.7	82%	0.818	79%	0.79	S	S	*	*			trans	-70.4	125.4	170.6	-81.9	-172.5	159	0	0	110.5	V99 T103	V99-E101 VanDerWaalsContact C-N 3.34Å; V99-E101 HydrophobicContact CG1-CG 4.19Å; V99-E101 PolarHBondContact O-N 2.86Å; E101-T103 PolarHBondContact O-N 3.28Å
102	R	30.6	Very low	33.5	Very low	239 Å²	239	145 Å²	145	90%	0.902	79%	0.791	S	S	*	*			trans	-63	122.1	177.2	-77.7	176.9	170	175.1	-3.5	110.5	T100 T104	T100-R102 PolarHBondContact O-N 3.45Å; R102-T104 PolarHBondContact O-N 3.06Å; R102-T104 VanDerWaalsContact O-N 3.1Å
103	T	31.9	Very low	34	Very low	139 Å²	139	141.6 Å²	141.6	85%	0.853	78%	0.775	S	S	*	*			trans	-59.6	109.2	162.1	11.6	0	0	0	0	109.2	E101 E105	E101-T103 PolarHBondContact O-N 3.28Å; T103-E105 PolarHBondContact O-N 3.48Å
104	T	34.3	Very low	34.5	Very low	134 Å²	134	138.1 Å²	138.1	82%	0.822	76%	0.762	S	S	*	*			trans	-84.3	98.7	167.6	-46.5	0	0	0	0	106.3	R102 A106	R102-T104 PolarHBondContact O-N 3.06Å; R102-T104 VanDerWaalsContact O-N 3.1Å; T104-A106 PolarHBondContact O-N 2.94Å; T104-A106 VanDerWaalsContact O-N 3.13Å
105	E	33	Very low	34.8	Very low	184 Å²	184	132.5 Å²	132.5	86%	0.86	75%	0.749	S	S	*	*			trans	-59.9	112.8	170.6	-76.8	-178.2	158.1	0	0	108.9	T103 S107	T103-E105 PolarHBondContact O-N 3.48Å; E105-S107 PolarHBondContact O-N 3Å
106	A	34.3	Very low	35	Very low	95 Å²	95	132.6 Å²	132.6	79%	0.785	74%	0.738	S	S	*	*			trans	-64.7	114.7	169.4	0	0	0	0	0	108.8	T104 S108	T104-A106 PolarHBondContact O-N 2.94Å; T104-A106 VanDerWaalsContact O-N 3.13Å; A106-S108 PolarHBondContact O-N 3.17Å
107	S	30.6	Very low	35.1	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	73%	0.73	S	S	*	*			trans	-59.5	104.9	177.8	176.1	0	0	0	0	111.5	E105 K109	E105-S107 PolarHBondContact O-N 3Å; S107-K109 PolarHBondContact O-N 3.27Å; S107-K109 VanDerWaalsContact O-N 3.17Å
108	S	31.2	Very low	34.8	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	73%	0.729	S	S	*	*			trans	-80.4	83.7	172.5	55.3	0	0	0	0	110.7	A106	A106-S108 PolarHBondContact O-N 3.17Å
109	K	34.1	Very low	35	Very low	189 Å²	189	137.5 Å²	137.5	82%	0.822	73%	0.728	S	S	*	*			trans	-121.6	20.7	170.4	-77.3	-168.2	179.4	-179.4	0	114.5	S107	S107-K109 PolarHBondContact O-N 3.27Å; S107-K109 VanDerWaalsContact O-N 3.17Å
110	T	37.1	Very low	35.2	Very low	131 Å²	131	137.7 Å²	137.7	80%	0.804	72%	0.721	S	S	*	*			trans	-105.4	105.7	168.4	47.3	0	0	0	0	109	F112	T110-F112 VanDerWaalsContact C-N 3.33Å; T110-F112 PolarHBondContact O-N 3.3Å
111	S	34.8	Very low	35.3	Very low	109 Å²	109	132.5 Å²	132.5	76%	0.762	70%	0.695	S	S	*	*			trans	-65.7	95.8	169.7	60.4	0	0	0	0	108.3	V113	S111-V113 PolarHBondContact O-N 3.31Å; S111-V113 VanDerWaalsContact O-N 3.14Å
112	F	35.7	Very low	35.2	Very low	158 Å²	158	134 Å²	134	69%	0.693	69%	0.693	S	S	*	*			trans	-64.9	110.8	170.2	-170.7	-100.3	0	0	0	107.6	T110 P114	T110-F112 VanDerWaalsContact C-N 3.33Å; T110-F112 PolarHBondContact O-N 3.3Å; F112-P114 HydrophobicContact CD1-CG 4.07Å; F112-P114 HydrophobicContact CE1-CB 4.4Å; F112-P114 HydrophobicContact CE1-CG 4.11Å; F112-P114 WeakPolarHBondContact O-CD 3.26Å
113	V	37.7	Very low	35.5	Very low	69 Å²	69	130.7 Å²	130.7	42%	0.418	69%	0.688	S	S	.	*			trans	-103.9	101.8	174.6	-178.3	0	0	0	0	106.8	S111 D115 K116	S111-V113 PolarHBondContact O-N 3.31Å; S111-V113 VanDerWaalsContact O-N 3.14Å; V113-D115 HydrophobicContact CG1-CB 4.44Å; V113-D115 PolarHBondContact O-N 3.1Å; V113-D115 VanDerWaalsContact O-N 3.07Å; V113-K116 HydrophobicContact CG1-CG 4.44Å; V113-K116 PolarHBondContact O-N 3.26Å
114	P	37.6	Very low	35.7	Very low	74 Å²	74	130.1 Å²	130.1	48%	0.481	68%	0.676	S	S	.	*	H	α-helix	trans	-57.3	-25.7	-175.4	-23.9	33	0	0	0	113.8	F112	F112-P114 HydrophobicContact CD1-CG 4.07Å; F112-P114 HydrophobicContact CE1-CB 4.4Å; F112-P114 HydrophobicContact CE1-CG 4.11Å; F112-P114 WeakPolarHBondContact O-CD 3.26Å
115	D	36.3	Very low	36	Very low	110 Å²	110	128.1 Å²	128.1	59%	0.588	66%	0.66	S	S	*	*	H	α-helix	trans	-77.4	-27.2	-175.1	-64.7	-37	0	0	0	113.5	V113 W117 K118	V113-D115 HydrophobicContact CG1-CB 4.44Å; V113-D115 PolarHBondContact O-N 3.1Å; V113-D115 VanDerWaalsContact O-N 3.07Å; D115-W117 PolarHBondContact O-N 3.37Å; D115-K118 PolarHBondContact O-N 2.99Å
116	K	40.3	Very low	36.5	Very low	135 Å²	135	122.7 Å²	122.7	59%	0.587	65%	0.647	S	S	*	*	H	α-helix	trans	-69.5	-32.6	176.6	-81.6	-165.9	171.7	-168.1	0	113.1	V113 K118 E119 E120	V113-K116 HydrophobicContact CG1-CG 4.44Å; V113-K116 PolarHBondContact O-N 3.26Å; K116-K118 VanDerWaalsContact C-N 3.26Å; K116-K118 PolarHBondContact O-N 3.01Å; K116-E119 PolarHBondContact O-N 3.5Å; K116-E120 PolarHBondContact O-N 3.08Å
117	W	36.5	Very low	37	Very low	167 Å²	167	126.2 Å²	126.2	63%	0.633	64%	0.644	S	S	*	*	H	α-helix	trans	-65.8	-28.8	178.5	-109.6	60.1	0	0	0	113.2	D115 G121	D115-W117 PolarHBondContact O-N 3.37Å; W117-G121 PolarHBondContact O-N 3.39Å
118	K	37.9	Very low	37.7	Very low	153 Å²	153	124.9 Å²	124.9	67%	0.665	63%	0.629	S	S	*	*	H	α-helix	trans	-77	-25.3	178.9	-75.9	179.2	-179.7	166.4	0	113.4	D115 K116	D115-K118 PolarHBondContact O-N 2.99Å; K116-K118 VanDerWaalsContact C-N 3.26Å; K116-K118 PolarHBondContact O-N 3.01Å
119	E	38.4	Very low	38.5	Very low	147 Å²	147	122.5 Å²	122.5	69%	0.687	61%	0.608	S	S	*	*	H	α-helix	trans	-83	-40.4	177.2	-74	177.5	162.8	0	0	111.2	K116 R122	K116-E119 PolarHBondContact O-N 3.5Å; E119-R122 PolarHBondContact O-N 2.9Å
120	E	37.4	Very low	39.4	Very low	128 Å²	128	118.2 Å²	118.2	60%	0.598	59%	0.594	S	S	*	*	H	α-helix	trans	-69.9	-36.6	177.5	-68.7	173.8	-175.2	0	0	112.6	K116 R122	K116-E120 PolarHBondContact O-N 3.08Å; E120-R122 VanDerWaalsContact C-N 3.26Å; E120-R122 PolarHBondContact O-N 3.01Å
121	G	34.5	Very low	40.4	Very low	29 Å²	29	116 Å²	116	30%	0.299	58%	0.579	S	S	.	*	H	α-helix	trans	-71.1	-15.9	176.3	0	0	0	0	0	114.6	W117 N125	W117-G121 PolarHBondContact O-N 3.39Å; G121-N125 PolarHBondContact O-ND2 3.18Å; G121-N125 VanDerWaalsContact O-ND2 3.1Å
122	R	35.9	Very low	41.4	Very low	205 Å²	205	113.5 Å²	113.5	77%	0.774	56%	0.558	S	S	*	*	H	α-helix	trans	-83.6	-23.8	-177.7	-126.1	177.9	-179.7	171.1	-1.1	113.4	E119 E120	E119-R122 PolarHBondContact O-N 2.9Å; E120-R122 VanDerWaalsContact C-N 3.26Å; E120-R122 PolarHBondContact O-N 3.01Å
123	E	36.1	Very low	42.6	Very low	170 Å²	170	111.1 Å²	111.1	79%	0.794	55%	0.551	S	S	*	*	H	α-helix	trans	-87.6	-20.1	178.8	-71.4	-170.2	160.5	0	0	113.6
124	Q	35.5	Very low	43.8	Very low	128 Å²	128	116.1 Å²	116.1	60%	0.598	56%	0.563	S	S	*	*	H	α-helix	trans	-77.2	-40	174.5	-101.1	170.2	-36.1	0	0	113.4	A126 K127 D128	Q124-A126 VanDerWaalsContact C-N 3.28Å; Q124-A126 PolarHBondContact O-N 3.44Å; Q124-A126 VanDerWaalsContact O-N 3.13Å; Q124-K127 PolarHBondContact O-N 3.42Å; Q124-K127 VanDerWaalsContact O-N 3.12Å; Q124-D128 PolarHBondContact O-N 2.79Å
125	N	41.2	Very low	45.1	Very low	91 Å²	91	117.5 Å²	117.5	49%	0.487	57%	0.566	S	S	.	*	H	α-helix	trans	-54.2	-39.9	-174.7	-70.3	-23.2	0	0	0	113.6	G121 K127 D128 D129	G121-N125 PolarHBondContact O-ND2 3.18Å; G121-N125 VanDerWaalsContact O-ND2 3.1Å; N125-K127 VanDerWaalsContact C-N 3.29Å; N125-K127 PolarHBondContact O-N 3.19Å; N125-D128 PolarHBondContact O-N 3.17Å; N125-D129 WeakPolarHBondContact O-CB 3.36Å; N125-D129 PolarHBondContact O-N 2.92Å; N125-D129 VanDerWaalsContact O-OD2 3.14Å
126	A	42.8	Very low	46.4	Very low	71 Å²	71	115.3 Å²	115.3	59%	0.587	56%	0.559	S	S	*	*	H	α-helix	trans	-69.6	-21.5	-175.5	0	0	0	0	0	114.9	Q124	Q124-A126 VanDerWaalsContact C-N 3.28Å; Q124-A126 PolarHBondContact O-N 3.44Å; Q124-A126 VanDerWaalsContact O-N 3.13Å
127	K	44.9	Very low	47.6	Very low	168 Å²	168	111.2 Å²	111.2	73%	0.73	55%	0.551	S	S	*	*	H	α-helix	trans	-93.2	-35.7	176.2	-86.3	178.3	178.2	170.8	0	112	Q124 N125	Q124-K127 PolarHBondContact O-N 3.42Å; Q124-K127 VanDerWaalsContact O-N 3.12Å; N125-K127 VanDerWaalsContact C-N 3.29Å; N125-K127 PolarHBondContact O-N 3.19Å
128	D	47.1	Very low	49.3	Very low	75 Å²	75	108.3 Å²	108.3	40%	0.401	55%	0.551	S	S	.	*	H	α-helix	trans	-76.8	-34.2	-176	-64.4	-27.6	0	0	0	111.7	Q124 N125 N130 V131 L132	Q124-D128 PolarHBondContact O-N 2.79Å; N125-D128 PolarHBondContact O-N 3.17Å; D128-N130 VanDerWaalsContact C-N 3.32Å; D128-N130 PolarHBondContact O-N 3.1Å; D128-V131 PolarHBondContact O-N 2.68Å; D128-L132 HydrophobicContact CB-CD1 4.37Å; D128-L132 WeakPolarHBondContact O-CB 3.43Å; D128-L132 WeakPolarHBondContact O-CD1 3.37Å; D128-L132 WeakPolarHBondContact O-CG 3.36Å; D128-L132 PolarHBondContact O-N 3.31Å
129	D	47.9	Very low	51.1	Low	66 Å²	66	104.3 Å²	104.3	35%	0.353	54%	0.54	S	S	.	.	H	α-helix	trans	-57.4	-41.5	179.2	-71.1	-14.3	0	0	0	112.7	N125 L132 I133	N125-D129 WeakPolarHBondContact O-CB 3.36Å; N125-D129 PolarHBondContact O-N 2.92Å; N125-D129 VanDerWaalsContact O-OD2 3.14Å; D129-L132 PolarHBondContact O-N 3.1Å; D129-I133 WeakPolarHBondContact O-CD1 3.23Å; D129-I133 WeakPolarHBondContact O-CG1 3.47Å; D129-I133 PolarHBondContact O-N 3.33Å
130	N	52.4	Low	52.7	Low	99 Å²	99	101.3 Å²	101.3	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-67	-41.3	178.1	-79.3	-40.9	0	0	0	111.4	D128 L132 I133 Y134	D128-N130 VanDerWaalsContact C-N 3.32Å; D128-N130 PolarHBondContact O-N 3.1Å; N130-L132 VanDerWaalsContact C-N 3.34Å; N130-I133 PolarHBondContact O-N 2.91Å; N130-Y134 WeakPolarHBondContact O-CD2 3.44Å; N130-Y134 PolarHBondContact O-N 3.28Å
131	V	57.3	Low	54.4	Low	83 Å²	83	97.7 Å²	97.7	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-41	179.9	177.8	0	0	0	0	110.5	D128 Y134 L135	D128-V131 PolarHBondContact O-N 2.68Å; V131-Y134 PolarHBondContact O-N 3.38Å; V131-L135 HydrophobicContact CG1-CD1 3.74Å; V131-L135 WeakPolarHBondContact O-CB 3.2Å; V131-L135 PolarHBondContact O-N 2.96Å
132	L	55.9	Low	56.3	Low	58 Å²	58	98.3 Å²	98.3	30%	0.304	53%	0.53	S	S	.	.	H	α-helix	trans	-63.2	-42.1	176.4	-80	159.7	0	0	0	112.8	D19 D128 D129 N130 Y134 L135 S136	D19-L132 HydrophobicContact CB-CD2 3.91Å; D19-L132 WeakPolarHBondContact OD1-CD2 3.21Å; D19-L132 WeakPolarHBondContact OD2-CD2 3.29Å; D128-L132 HydrophobicContact CB-CD1 4.37Å; D128-L132 WeakPolarHBondContact O-CB 3.43Å; D128-L132 WeakPolarHBondContact O-CD1 3.37Å; D128-L132 WeakPolarHBondContact O-CG 3.36Å; D128-L132 PolarHBondContact O-N 3.31Å; D129-L132 PolarHBondContact O-N 3.1Å; N130-L132 VanDerWaalsContact C-N 3.34Å; L132-Y134 PolarHBondContact O-N 3.48Å; L132-L135 PolarHBondContact O-N 3.01Å; L132-S136 WeakPolarHBondContact O-CB 3.28Å; L132-S136 PolarHBondContact O-N 3.31Å; L132-S136 PolarHBondContact O-OG 2.73Å
133	I	60.7	Low	58.4	Low	108 Å²	108	91.6 Å²	91.6	55%	0.554	51%	0.511	S	S	*	.	H	α-helix	trans	-64.7	-40.7	174.7	-66.8	163.8	0	0	0	110.7	D129 N130 S136 A137	D129-I133 WeakPolarHBondContact O-CD1 3.23Å; D129-I133 WeakPolarHBondContact O-CG1 3.47Å; D129-I133 PolarHBondContact O-N 3.33Å; N130-I133 PolarHBondContact O-N 2.91Å; I133-S136 PolarHBondContact O-OG 3Å; I133-A137 VanDerWaalsContact O-CB 3.32Å; I133-A137 WeakPolarHBondContact O-CB 3.12Å; I133-A137 PolarHBondContact O-N 3.48Å; I133-A137 VanDerWaalsContact O-N 3.08Å
134	Y	62.6	Low	60.4	Low	173 Å²	173	87.7 Å²	87.7	68%	0.678	50%	0.499	S	S	*	.	H	α-helix	trans	-66.8	-42.7	175.7	-80.2	-68.1	0	0	0	112.3	N130 V131 L132 A137 V138	N130-Y134 WeakPolarHBondContact O-CD2 3.44Å; N130-Y134 PolarHBondContact O-N 3.28Å; V131-Y134 PolarHBondContact O-N 3.38Å; L132-Y134 PolarHBondContact O-N 3.48Å; Y134-A137 PolarHBondContact O-N 3.42Å; Y134-V138 VanDerWaalsContact O-CG2 3.25Å; Y134-V138 WeakPolarHBondContact O-CG2 3.27Å; Y134-V138 PolarHBondContact O-N 3.03Å
135	L	65.4	Low	62.4	Low	103 Å²	103	85.6 Å²	85.6	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-46.1	177.6	-105.7	123.1	0	0	0	112	V131 L132 A137 V138 V139	V131-L135 HydrophobicContact CG1-CD1 3.74Å; V131-L135 WeakPolarHBondContact O-CB 3.2Å; V131-L135 PolarHBondContact O-N 2.96Å; L132-L135 PolarHBondContact O-N 3.01Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.07Å; L135-V138 PolarHBondContact O-N 3.27Å; L135-V139 WeakPolarHBondContact O-CG2 3.37Å; L135-V139 PolarHBondContact O-N 3.06Å
136	S	64.1	Low	64.2	Low	64 Å²	64	87 Å²	87	45%	0.448	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-38	178.1	63	0	0	0	0	112.1	L132 I133 V139 T140	L132-S136 WeakPolarHBondContact O-CB 3.28Å; L132-S136 PolarHBondContact O-N 3.31Å; L132-S136 PolarHBondContact O-OG 2.73Å; I133-S136 PolarHBondContact O-OG 3Å; S136-V139 PolarHBondContact O-N 3.08Å; S136-T140 WeakPolarHBondContact O-CB 3.18Å; S136-T140 WeakPolarHBondContact O-CG2 3.36Å; S136-T140 PolarHBondContact O-N 2.94Å; S136-T140 PolarHBondContact O-OG1 3.42Å
137	A	65.9	Low	66	Low	50 Å²	50	88.4 Å²	88.4	41%	0.413	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-41.5	172.9	0	0	0	0	0	112.5	I133 Y134 L135 T140 A141	I133-A137 VanDerWaalsContact O-CB 3.32Å; I133-A137 WeakPolarHBondContact O-CB 3.12Å; I133-A137 PolarHBondContact O-N 3.48Å; I133-A137 VanDerWaalsContact O-N 3.08Å; Y134-A137 PolarHBondContact O-N 3.42Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.07Å; A137-T140 WeakPolarHBondContact CA-OG1 3.37Å; A137-T140 PolarHBondContact O-OG1 3.01Å; A137-A141 VanDerWaalsContact O-CB 3.26Å; A137-A141 WeakPolarHBondContact O-CB 3.48Å; A137-A141 PolarHBondContact O-N 3.28Å
138	V	72.1	Confident	67.7	Low	105 Å²	105	84.8 Å²	84.8	64%	0.636	49%	0.49	S	S	*	.	H	α-helix	trans	-66.8	-42.8	177.6	171.4	0	0	0	0	111.2	Y134 L135 A141 G142	Y134-V138 VanDerWaalsContact O-CG2 3.25Å; Y134-V138 WeakPolarHBondContact O-CG2 3.27Å; Y134-V138 PolarHBondContact O-N 3.03Å; L135-V138 PolarHBondContact O-N 3.27Å; V138-A141 PolarHBondContact O-N 3.49Å; V138-G142 PolarHBondContact O-N 3.07Å
139	V	74.7	Confident	69.2	Low	70 Å²	70	84.3 Å²	84.3	42%	0.424	49%	0.49	S	S	.	.	H	α-helix	trans	-64.7	-47.4	178	172.8	0	0	0	0	110.8	L135 S136 A141 G142 V143	L135-V139 WeakPolarHBondContact O-CG2 3.37Å; L135-V139 PolarHBondContact O-N 3.06Å; S136-V139 PolarHBondContact O-N 3.08Å; V139-A141 PolarHBondContact O-N 3.06Å; V139-G142 PolarHBondContact O-N 3.27Å; V139-G142 VanDerWaalsContact O-N 3.16Å; V139-V143 HydrophobicContact CG1-CG2 4.42Å; V139-V143 WeakPolarHBondContact O-CG2 3.28Å; V139-V143 PolarHBondContact O-N 3.13Å
140	T	72.7	Confident	70.6	Confident	83 Å²	83	84.7 Å²	84.7	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-42.6	177.9	46.2	0	0	0	0	112	S136 A137 G142 V143 V144	S136-T140 WeakPolarHBondContact O-CB 3.18Å; S136-T140 WeakPolarHBondContact O-CG2 3.36Å; S136-T140 PolarHBondContact O-N 2.94Å; S136-T140 PolarHBondContact O-OG1 3.42Å; A137-T140 WeakPolarHBondContact CA-OG1 3.37Å; A137-T140 PolarHBondContact O-OG1 3.01Å; T140-G142 VanDerWaalsContact C-N 3.32Å; T140-G142 PolarHBondContact O-N 2.87Å; T140-V143 PolarHBondContact O-N 3.35Å; T140-V144 WeakPolarHBondContact O-CB 3.02Å; T140-V144 VanDerWaalsContact O-CG2 3.25Å; T140-V144 WeakPolarHBondContact O-CG2 3.36Å; T140-V144 PolarHBondContact O-N 3.35Å
141	A	72.1	Confident	71.7	Confident	53 Å²	53	82.2 Å²	82.2	44%	0.438	49%	0.488	S	S	.	.	H	α-helix	trans	-60.3	-41	173.3	0	0	0	0	0	112.1	A137 V138 V139 T145	A137-A141 VanDerWaalsContact O-CB 3.26Å; A137-A141 WeakPolarHBondContact O-CB 3.48Å; A137-A141 PolarHBondContact O-N 3.28Å; V138-A141 PolarHBondContact O-N 3.49Å; V139-A141 PolarHBondContact O-N 3.06Å; A141-T145 WeakPolarHBondContact O-CB 3.32Å; A141-T145 PolarHBondContact O-N 2.9Å; A141-T145 PolarHBondContact O-OG1 2.92Å
142	G	75.6	Confident	72.7	Confident	42 Å²	42	83.1 Å²	83.1	43%	0.433	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-46.7	175.2	0	0	0	0	0	112.8	V138 V139 T140 T145 L146	V138-G142 PolarHBondContact O-N 3.07Å; V139-G142 PolarHBondContact O-N 3.27Å; V139-G142 VanDerWaalsContact O-N 3.16Å; T140-G142 VanDerWaalsContact C-N 3.32Å; T140-G142 PolarHBondContact O-N 2.87Å; G142-T145 PolarHBondContact O-N 3.04Å; G142-L146 PolarHBondContact O-N 3.01Å
143	V	79.3	Confident	73.5	Confident	63 Å²	63	86.1 Å²	86.1	38%	0.382	50%	0.496	S	S	.	.	H	α-helix	trans	-64.3	-45.7	178.2	173.8	0	0	0	0	111.2	V139 T140 T145 L146 I147	V139-V143 HydrophobicContact CG1-CG2 4.42Å; V139-V143 WeakPolarHBondContact O-CG2 3.28Å; V139-V143 PolarHBondContact O-N 3.13Å; T140-V143 PolarHBondContact O-N 3.35Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.22Å; V143-L146 WeakPolarHBondContact O-CB 3.25Å; V143-L146 PolarHBondContact O-N 3.41Å; V143-I147 HydrophobicContact CG1-CD1 3.9Å; V143-I147 VanDerWaalsContact O-CG1 3.32Å; V143-I147 WeakPolarHBondContact O-CG1 3.34Å; V143-I147 PolarHBondContact O-N 3.36Å
144	V	78	Confident	74	Confident	88 Å²	88	83.9 Å²	83.9	53%	0.533	49%	0.49	S	S	.	.	H	α-helix	trans	-60.5	-43.4	177.2	171.4	0	0	0	0	110.6	T140 L146 I147 V148	T140-V144 WeakPolarHBondContact O-CB 3.02Å; T140-V144 VanDerWaalsContact O-CG2 3.25Å; T140-V144 WeakPolarHBondContact O-CG2 3.36Å; T140-V144 PolarHBondContact O-N 3.35Å; V144-L146 PolarHBondContact O-N 3.09Å; V144-I147 PolarHBondContact O-N 3.47Å; V144-V148 HydrophobicContact CG1-CG2 4.44Å; V144-V148 WeakPolarHBondContact O-CG2 3.03Å; V144-V148 PolarHBondContact O-N 2.73Å
145	T	77.7	Confident	74.5	Confident	85 Å²	85	80.2 Å²	80.2	52%	0.521	48%	0.481	S	S	.	.	H	α-helix	trans	-62.8	-42.7	177.8	-53	0	0	0	0	111.3	A141 G142 V143 I147 V148 V149	A141-T145 WeakPolarHBondContact O-CB 3.32Å; A141-T145 PolarHBondContact O-N 2.9Å; A141-T145 PolarHBondContact O-OG1 2.92Å; G142-T145 PolarHBondContact O-N 3.04Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.22Å; T145-I147 VanDerWaalsContact C-N 3.35Å; T145-I147 PolarHBondContact O-N 2.94Å; T145-V148 PolarHBondContact O-N 2.77Å; T145-V149 HydrophobicContact CG2-CG2 4.39Å; T145-V149 WeakPolarHBondContact O-CB 3.45Å; T145-V149 VanDerWaalsContact O-CG2 3.26Å; T145-V149 WeakPolarHBondContact O-CG2 3.46Å; T145-V149 PolarHBondContact O-N 2.79Å
146	L	79.6	Confident	74.6	Confident	119 Å²	119	82.7 Å²	82.7	62%	0.623	48%	0.484	S	S	*	.	H	α-helix	trans	-60.3	-43.1	175.7	-167.8	84.7	0	0	0	111.8	G142 V143 V144 V149 T150	G142-L146 PolarHBondContact O-N 3.01Å; V143-L146 WeakPolarHBondContact O-CB 3.25Å; V143-L146 PolarHBondContact O-N 3.41Å; V144-L146 PolarHBondContact O-N 3.09Å; L146-V149 PolarHBondContact O-N 3.3Å; L146-T150 WeakPolarHBondContact O-CB 3.22Å; L146-T150 WeakPolarHBondContact O-CG2 3.43Å; L146-T150 PolarHBondContact O-N 3.13Å; L146-T150 PolarHBondContact O-OG1 3.23Å
147	I	80.9	Confident	74.6	Confident	101 Å²	101	88.7 Å²	88.7	52%	0.518	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-45.6	176.8	-67.2	166.5	0	0	0	110.6	V143 V144 T145 V149 T150 A151	V143-I147 HydrophobicContact CG1-CD1 3.9Å; V143-I147 VanDerWaalsContact O-CG1 3.32Å; V143-I147 WeakPolarHBondContact O-CG1 3.34Å; V143-I147 PolarHBondContact O-N 3.36Å; V144-I147 PolarHBondContact O-N 3.47Å; T145-I147 VanDerWaalsContact C-N 3.35Å; T145-I147 PolarHBondContact O-N 2.94Å; I147-V149 PolarHBondContact O-N 2.82Å; I147-T150 WeakPolarHBondContact CA-OG1 2.98Å; I147-T150 PolarHBondContact O-N 3.49Å; I147-T150 PolarHBondContact O-OG1 2.73Å; I147-A151 VanDerWaalsContact O-CB 3.26Å; I147-A151 WeakPolarHBondContact O-CB 3.21Å; I147-A151 PolarHBondContact O-N 3.46Å
148	V	80.3	Confident	74.3	Confident	92 Å²	92	93.2 Å²	93.2	56%	0.558	51%	0.507	S	S	*	.	H	α-helix	trans	-63.6	-43.7	178.8	172.9	0	0	0	0	111	V144 T145 A151 F152	V144-V148 HydrophobicContact CG1-CG2 4.44Å; V144-V148 WeakPolarHBondContact O-CG2 3.03Å; V144-V148 PolarHBondContact O-N 2.73Å; T145-V148 PolarHBondContact O-N 2.77Å; V148-A151 PolarHBondContact O-N 3.04Å; V148-F152 VanDerWaalsContact O-CB 3.24Å; V148-F152 WeakPolarHBondContact O-CB 3.5Å; V148-F152 PolarHBondContact O-N 3.1Å
149	V	77.6	Confident	73.8	Confident	66 Å²	66	94.4 Å²	94.4	40%	0.4	50%	0.504	S	S	.	.	H	α-helix	trans	-63.6	-46.7	177.7	170.6	0	0	0	0	111	T145 L146 I147 F152 F153	T145-V149 HydrophobicContact CG2-CG2 4.39Å; T145-V149 WeakPolarHBondContact O-CB 3.45Å; T145-V149 VanDerWaalsContact O-CG2 3.26Å; T145-V149 WeakPolarHBondContact O-CG2 3.46Å; T145-V149 PolarHBondContact O-N 2.79Å; L146-V149 PolarHBondContact O-N 3.3Å; I147-V149 PolarHBondContact O-N 2.82Å; V149-F152 PolarHBondContact O-N 3.41Å; V149-F153 HydrophobicContact CG1-CD2 3.6Å; V149-F153 HydrophobicContact CG1-CE2 3.67Å; V149-F153 VanDerWaalsContact O-CD2 3.28Å; V149-F153 WeakPolarHBondContact O-CD2 3.35Å; V149-F153 PolarHBondContact O-N 3.24Å
150	T	78.1	Confident	73	Confident	74 Å²	74	97.5 Å²	97.5	45%	0.454	51%	0.511	S	S	.	.	H	α-helix	trans	-65.6	-39.7	178.7	47.3	0	0	0	0	112.4	L146 I147 S154	L146-T150 WeakPolarHBondContact O-CB 3.22Å; L146-T150 WeakPolarHBondContact O-CG2 3.43Å; L146-T150 PolarHBondContact O-N 3.13Å; L146-T150 PolarHBondContact O-OG1 3.23Å; I147-T150 WeakPolarHBondContact CA-OG1 2.98Å; I147-T150 PolarHBondContact O-N 3.49Å; I147-T150 PolarHBondContact O-OG1 2.73Å; T150-S154 VanDerWaalsContact O-CB 3.25Å; T150-S154 WeakPolarHBondContact O-CB 3.46Å; T150-S154 PolarHBondContact O-N 3.05Å; T150-S154 PolarHBondContact O-OG 2.78Å
151	A	75.8	Confident	72.3	Confident	46 Å²	46	98.6 Å²	98.6	38%	0.38	51%	0.514	S	S	.	.	H	α-helix	trans	-62.9	-45.1	172.6	0	0	0	0	0	111.4	I147 V148 S154 I155	I147-A151 VanDerWaalsContact O-CB 3.26Å; I147-A151 WeakPolarHBondContact O-CB 3.21Å; I147-A151 PolarHBondContact O-N 3.46Å; V148-A151 PolarHBondContact O-N 3.04Å; A151-S154 WeakPolarHBondContact O-CB 3.41Å; A151-S154 PolarHBondContact O-N 3.12Å; A151-I155 VanDerWaalsContact O-CG1 3.29Å; A151-I155 WeakPolarHBondContact O-CG1 3.49Å; A151-I155 PolarHBondContact O-N 3.18Å
152	F	78	Confident	71.6	Confident	103 Å²	103	104.9 Å²	104.9	45%	0.452	53%	0.526	S	S	.	.	H	α-helix	trans	-62.7	-45.6	178.2	-174.6	-101.3	0	0	0	112.4	V148 V149 S154 I155 R156	V148-F152 VanDerWaalsContact O-CB 3.24Å; V148-F152 WeakPolarHBondContact O-CB 3.5Å; V148-F152 PolarHBondContact O-N 3.1Å; V149-F152 PolarHBondContact O-N 3.41Å; F152-S154 VanDerWaalsContact C-N 3.33Å; F152-S154 PolarHBondContact O-N 3.36Å; F152-I155 PolarHBondContact O-N 3.05Å; F152-R156 HydrophobicContact CD1-CG 4.47Å; F152-R156 HydrophobicContact CE1-CG 4.18Å; F152-R156 VanDerWaalsContact CE1-CZ 3.41Å; F152-R156 HydrophobicContact CZ-CG 4.38Å; F152-R156 VanDerWaalsContact CZ-CZ 3.49Å; F152-R156 WeakPolarHBondContact O-CB 3.11Å; F152-R156 PolarHBondContact O-N 3.43Å
153	F	72.6	Confident	70.8	Confident	120 Å²	120	109.2 Å²	109.2	53%	0.526	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-37.6	174.2	-87.5	-72.9	0	0	0	112.1	V149 R156 R157	V149-F153 HydrophobicContact CG1-CD2 3.6Å; V149-F153 HydrophobicContact CG1-CE2 3.67Å; V149-F153 VanDerWaalsContact O-CD2 3.28Å; V149-F153 WeakPolarHBondContact O-CD2 3.35Å; V149-F153 PolarHBondContact O-N 3.24Å; F153-R156 PolarHBondContact O-N 2.82Å; F153-R157 WeakPolarHBondContact O-CB 3.39Å; F153-R157 WeakPolarHBondContact O-CG 3.04Å; F153-R157 PolarHBondContact O-N 2.89Å
154	S	71.2	Confident	69.7	Low	62 Å²	62	114.3 Å²	114.3	43%	0.434	55%	0.547	S	S	.	.	H	α-helix	trans	-64.7	-42.1	176.1	-64.7	0	0	0	0	111.9	T150 A151 F152 K158	T150-S154 VanDerWaalsContact O-CB 3.25Å; T150-S154 WeakPolarHBondContact O-CB 3.46Å; T150-S154 PolarHBondContact O-N 3.05Å; T150-S154 PolarHBondContact O-OG 2.78Å; A151-S154 WeakPolarHBondContact O-CB 3.41Å; A151-S154 PolarHBondContact O-N 3.12Å; F152-S154 VanDerWaalsContact C-N 3.33Å; F152-S154 PolarHBondContact O-N 3.36Å; S154-K158 WeakPolarHBondContact O-CB 3.32Å; S154-K158 WeakPolarHBondContact O-CG 3.42Å; S154-K158 PolarHBondContact O-N 3.18Å
155	I	72.2	Confident	68.7	Low	95 Å²	95	115 Å²	115	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-67.4	-44.5	175.2	-65.7	164.7	0	0	0	110.5	A151 F152 R157 K158 K159	A151-I155 VanDerWaalsContact O-CG1 3.29Å; A151-I155 WeakPolarHBondContact O-CG1 3.49Å; A151-I155 PolarHBondContact O-N 3.18Å; F152-I155 PolarHBondContact O-N 3.05Å; I155-R157 PolarHBondContact O-N 3.14Å; I155-K158 PolarHBondContact O-N 3.01Å; I155-K159 HydrophobicContact CG2-CD 4.43Å; I155-K159 HydrophobicContact CG2-CG 4.43Å; I155-K159 WeakPolarHBondContact O-CG 3.26Å; I155-K159 PolarHBondContact O-N 3.05Å
156	R	69.2	Low	67.6	Low	155 Å²	155	115.6 Å²	115.6	59%	0.585	55%	0.547	S	S	*	.	H	α-helix	trans	-61.7	-41.7	176.2	-84.5	-167.5	169.1	-176.2	0.8	112.2	F152 F153 K159 K160	F152-R156 HydrophobicContact CD1-CG 4.47Å; F152-R156 HydrophobicContact CE1-CG 4.18Å; F152-R156 VanDerWaalsContact CE1-CZ 3.41Å; F152-R156 HydrophobicContact CZ-CG 4.38Å; F152-R156 VanDerWaalsContact CZ-CZ 3.49Å; F152-R156 WeakPolarHBondContact O-CB 3.11Å; F152-R156 PolarHBondContact O-N 3.43Å; F153-R156 PolarHBondContact O-N 2.82Å; R156-K159 PolarHBondContact O-N 3.33Å; R156-K160 PolarHBondContact O-N 2.63Å
157	R	63	Low	66.5	Low	190 Å²	190	113 Å²	113	72%	0.717	54%	0.543	S	S	*	.	H	α-helix	trans	-61.3	-44.9	173.6	-78.7	-175.3	178.8	-166.7	1.5	111.1	F153 I155 K160 L161	F153-R157 WeakPolarHBondContact O-CB 3.39Å; F153-R157 WeakPolarHBondContact O-CG 3.04Å; F153-R157 PolarHBondContact O-N 2.89Å; I155-R157 PolarHBondContact O-N 3.14Å; R157-K160 PolarHBondContact O-N 2.73Å; R157-L161 WeakPolarHBondContact O-CB 3.43Å; R157-L161 PolarHBondContact O-N 2.9Å
158	K	60.8	Low	65.1	Low	146 Å²	146	117.8 Å²	117.8	64%	0.635	55%	0.554	S	S	*	*	H	α-helix	trans	-64.2	-38.9	176.6	-75.1	-179.9	179.6	-178.3	0	112.8	S154 I155 L161 R162	S154-K158 WeakPolarHBondContact O-CB 3.32Å; S154-K158 WeakPolarHBondContact O-CG 3.42Å; S154-K158 PolarHBondContact O-N 3.18Å; I155-K158 PolarHBondContact O-N 3.01Å; K158-L161 PolarHBondContact O-N 3.32Å; K158-R162 WeakPolarHBondContact O-CB 3.41Å; K158-R162 WeakPolarHBondContact O-CG 3.39Å; K158-R162 PolarHBondContact O-N 2.89Å
159	K	59.5	Low	63.8	Low	130 Å²	130	122 Å²	122	57%	0.565	57%	0.565	S	S	*	*	H	α-helix	trans	-63.3	-47.9	174.4	-75.6	-172.9	178.1	-173.6	0	111.6	I155 R156 L161 R162 E163	I155-K159 HydrophobicContact CG2-CD 4.43Å; I155-K159 HydrophobicContact CG2-CG 4.43Å; I155-K159 WeakPolarHBondContact O-CG 3.26Å; I155-K159 PolarHBondContact O-N 3.05Å; R156-K159 PolarHBondContact O-N 3.33Å; K159-L161 VanDerWaalsContact C-N 3.3Å; K159-L161 PolarHBondContact O-N 3.15Å; K159-R162 PolarHBondContact O-N 2.69Å; K159-R162 VanDerWaalsContact O-N 3.15Å; K159-E163 PolarHBondContact O-N 3.31Å
160	K	58.1	Low	62.3	Low	134 Å²	134	128.9 Å²	128.9	58%	0.583	58%	0.584	S	S	*	*	H	α-helix	trans	-63.5	-33.9	178.5	-157.7	172.5	-172.9	174.8	0	112.6	R156 R157 R164	R156-K160 PolarHBondContact O-N 2.63Å; R157-K160 PolarHBondContact O-N 2.73Å; K160-R164 WeakPolarHBondContact O-CB 3.44Å; K160-R164 VanDerWaalsContact O-CG 3.3Å; K160-R164 WeakPolarHBondContact O-CG 3.3Å; K160-R164 PolarHBondContact O-N 3.35Å; K160-R164 VanDerWaalsContact O-N 3.15Å
161	L	58.5	Low	60.7	Low	107 Å²	107	133.1 Å²	133.1	56%	0.56	60%	0.596	S	S	*	*	H	α-helix	trans	-69.8	-43	172.5	-98.3	139.5	0	0	0	112.5	R157 K158 K159 R164 L165	R157-L161 WeakPolarHBondContact O-CB 3.43Å; R157-L161 PolarHBondContact O-N 2.9Å; K158-L161 PolarHBondContact O-N 3.32Å; K159-L161 VanDerWaalsContact C-N 3.3Å; K159-L161 PolarHBondContact O-N 3.15Å; L161-R164 PolarHBondContact O-N 3.24Å; L161-L165 WeakPolarHBondContact O-CB 3.06Å; L161-L165 WeakPolarHBondContact O-CG 3.48Å; L161-L165 PolarHBondContact O-N 3.41Å
162	R	57.5	Low	59.1	Low	185 Å²	185	135 Å²	135	70%	0.698	60%	0.604	S	S	*	*	H	α-helix	trans	-65.7	-39.1	176.4	-77.1	-174.8	-178.6	-159.3	1	112.5	K158 K159 L165 N166	K158-R162 WeakPolarHBondContact O-CB 3.41Å; K158-R162 WeakPolarHBondContact O-CG 3.39Å; K158-R162 PolarHBondContact O-N 2.89Å; K159-R162 PolarHBondContact O-N 2.69Å; K159-R162 VanDerWaalsContact O-N 3.15Å; R162-L165 PolarHBondContact O-N 3.49Å; R162-N166 WeakPolarHBondContact O-CB 3.29Å; R162-N166 PolarHBondContact O-N 3.36Å
163	E	58.2	Low	57.6	Low	133 Å²	133	137.5 Å²	137.5	62%	0.621	62%	0.621	S	S	*	*	H	α-helix	trans	-64.7	-41.3	174	-75.7	170.9	-174.1	0	0	111.9	K159 N166 A167	K159-E163 PolarHBondContact O-N 3.31Å; E163-N166 PolarHBondContact O-N 3.18Å; E163-A167 WeakPolarHBondContact O-CB 3.36Å; E163-A167 PolarHBondContact O-N 3.07Å
164	R	57.1	Low	56.4	Low	170 Å²	170	142 Å²	142	64%	0.642	64%	0.635	S	S	*	*	H	α-helix	trans	-65.8	-37.2	174.4	-76.3	177.8	173.3	-168.1	-2.9	113	K160 L161 R168	K160-R164 WeakPolarHBondContact O-CB 3.44Å; K160-R164 VanDerWaalsContact O-CG 3.3Å; K160-R164 WeakPolarHBondContact O-CG 3.3Å; K160-R164 PolarHBondContact O-N 3.35Å; K160-R164 VanDerWaalsContact O-N 3.15Å; L161-R164 PolarHBondContact O-N 3.24Å; R164-R168 WeakPolarHBondContact O-CG 3.09Å; R164-R168 PolarHBondContact O-N 3.25Å
165	L	57	Low	55	Low	102 Å²	102	150.1 Å²	150.1	53%	0.534	66%	0.656	S	S	.	*	H	α-helix	trans	-70.2	-41.9	175.4	-77.6	163.4	0	0	0	111.8	L161 R162 R168 K169	L161-L165 WeakPolarHBondContact O-CB 3.06Å; L161-L165 WeakPolarHBondContact O-CG 3.48Å; L161-L165 PolarHBondContact O-N 3.41Å; R162-L165 PolarHBondContact O-N 3.49Å; L165-R168 PolarHBondContact O-N 3.32Å; L165-K169 PolarHBondContact O-N 3.14Å
166	N	54.9	Low	53.7	Low	97 Å²	97	152 Å²	152	52%	0.519	67%	0.667	S	S	.	*	H	α-helix	trans	-68.5	-36	175	-80.3	-11.5	0	0	0	112.2	R162 E163 R168 K169 R170	R162-N166 WeakPolarHBondContact O-CB 3.29Å; R162-N166 PolarHBondContact O-N 3.36Å; E163-N166 PolarHBondContact O-N 3.18Å; N166-R168 VanDerWaalsContact C-N 3.34Å; N166-K169 PolarHBondContact O-N 2.91Å; N166-R170 WeakPolarHBondContact O-CB 3.49Å; N166-R170 WeakPolarHBondContact O-CG 3.41Å; N166-R170 PolarHBondContact O-N 3.13Å
167	A	55.6	Low	52.3	Low	64 Å²	64	147.9 Å²	147.9	53%	0.529	67%	0.667	S	S	.	*	H	α-helix	trans	-67.3	-33.2	173.3	0	0	0	0	0	112.4	E163 K171	E163-A167 WeakPolarHBondContact O-CB 3.36Å; E163-A167 PolarHBondContact O-N 3.07Å; A167-K171 PolarHBondContact O-N 3.1Å
168	R	52.8	Low	51.2	Low	202 Å²	202	142 Å²	142	76%	0.762	67%	0.665	S	S	*	*	H	α-helix	trans	-70.9	-37	171.3	-80	-174.1	-179.6	-167.2	0.5	112.7	R164 L165 N166 K171	R164-R168 WeakPolarHBondContact O-CG 3.09Å; R164-R168 PolarHBondContact O-N 3.25Å; L165-R168 PolarHBondContact O-N 3.32Å; N166-R168 VanDerWaalsContact C-N 3.34Å; R168-K171 PolarHBondContact O-N 3.37Å
169	K	52.4	Low	50.1	Low	181 Å²	181	142.9 Å²	142.9	79%	0.787	67%	0.671	S	S	*	*	H	α-helix	trans	-71.4	-27.6	173.4	-77.3	-171.2	174.6	-171.2	0	113.4	L165 N166	L165-K169 PolarHBondContact O-N 3.14Å; N166-K169 PolarHBondContact O-N 2.91Å
170	R	47	Very low	49.1	Very low	210 Å²	210	141.5 Å²	141.5	79%	0.792	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	18.9	175.3	-69.1	-173.7	-180	-170.3	-0	113.7	N166 P172	N166-R170 WeakPolarHBondContact O-CB 3.49Å; N166-R170 WeakPolarHBondContact O-CG 3.41Å; N166-R170 PolarHBondContact O-N 3.13Å; R170-P172 VanDerWaalsContact O-CD 3.23Å; R170-P172 WeakPolarHBondContact O-CD 3.46Å; R170-P172 VanDerWaalsContact O-N 3.15Å
171	K	42.7	Very low	48.1	Very low	164 Å²	164	140.6 Å²	140.6	71%	0.713	69%	0.686	S	S	*	*	S	Bend	trans	-62.4	118.3	161.5	-88.3	-170.9	175.1	-173.5	0	106.8	A167 R168 L173	A167-K171 PolarHBondContact O-N 3.1Å; R168-K171 PolarHBondContact O-N 3.37Å; K171-L173 PolarHBondContact O-N 2.99Å; K171-L173 VanDerWaalsContact O-N 3.11Å
172	P	42.8	Very low	47.1	Very low	84 Å²	84	143.2 Å²	143.2	55%	0.545	70%	0.7	S	S	.	*			trans	-58.5	120.8	-179	20.8	-29.7	0	0	0	108.9	R170 W174 R175	R170-P172 VanDerWaalsContact O-CD 3.23Å; R170-P172 WeakPolarHBondContact O-CD 3.46Å; R170-P172 VanDerWaalsContact O-N 3.15Å; P172-W174 HydrophobicContact CB-CB 4.1Å; P172-W174 VanDerWaalsContact CB-CD1 3.5Å; P172-W174 HydrophobicContact CB-CG 4.18Å; P172-W174 PolarHBondContact O-N 3.22Å; P172-R175 PolarHBondContact O-N 3.45Å
173	L	46.7	Very low	46.2	Very low	156 Å²	156	140.2 Å²	140.2	82%	0.817	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-52.9	-9.4	165.3	-91.7	156.9	0	0	0	112.5	K171 R175 N176	K171-L173 PolarHBondContact O-N 2.99Å; K171-L173 VanDerWaalsContact O-N 3.11Å; L173-R175 VanDerWaalsContact C-N 3.28Å; L173-R175 PolarHBondContact O-N 3.24Å; L173-N176 PolarHBondContact O-N 3.17Å
174	W	46.6	Very low	45.3	Very low	214 Å²	214	136.7 Å²	136.7	81%	0.811	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-71.6	-8.7	176.2	-49.1	93.3	0	0	0	115.1	P172 N176	P172-W174 HydrophobicContact CB-CB 4.1Å; P172-W174 VanDerWaalsContact CB-CD1 3.5Å; P172-W174 HydrophobicContact CB-CG 4.18Å; P172-W174 PolarHBondContact O-N 3.22Å; W174-N176 VanDerWaalsContact C-N 3.33Å
175	R	42.4	Very low	44.6	Very low	233 Å²	233	134 Å²	134	88%	0.879	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-81.4	-9.7	171.8	-118.4	-172.8	-161.9	-163	5	114.7	P172 L173	P172-R175 PolarHBondContact O-N 3.45Å; L173-R175 VanDerWaalsContact C-N 3.28Å; L173-R175 PolarHBondContact O-N 3.24Å
176	N	44.5	Very low	43.7	Very low	134 Å²	134	140.9 Å²	140.9	72%	0.717	73%	0.731	S	S	*	*	S	Bend	trans	-118.2	3.9	171.4	-73.2	-6	0	0	0	113.1	L173 W174	L173-N176 PolarHBondContact O-N 3.17Å; W174-N176 VanDerWaalsContact C-N 3.33Å
177	A	40.7	Very low	42.6	Very low	70 Å²	70	139.2 Å²	139.2	58%	0.579	74%	0.738	S	S	*	*	S	Bend	trans	-95.1	8	174.7	0	0	0	0	0	113.3
178	G	39.1	Very low	41.9	Very low	66 Å²	66	144.4 Å²	144.4	68%	0.68	75%	0.751	S	S	*	*			trans	-116	8.8	175.9	0	0	0	0	0	114
179	Q	38.1	Very low	41.2	Very low	164 Å²	164	141 Å²	141	77%	0.766	75%	0.748	S	S	*	*	S	Bend	trans	-89.4	100.9	161.7	-93.1	175.1	-13.3	0	0	107.3
180	S	39.6	Very low	40.9	Very low	102 Å²	102	138.4 Å²	138.4	71%	0.713	75%	0.747	S	S	*	*			trans	-35	121	-173.3	-40.9	0	0	0	0	115	L182	S180-L182 PolarHBondContact O-N 3.06Å
181	P	35.4	Very low	40.5	Very low	114 Å²	114	136.3 Å²	136.3	74%	0.74	75%	0.752	S	S	*	*	S	Bend	trans	-79.1	102.2	151	30.8	-21	0	0	0	105.3
182	L	37.6	Very low	40.4	Very low	163 Å²	163	136.6 Å²	136.6	85%	0.853	76%	0.756	S	S	*	*			trans	152.2	76.1	163.4	-81.3	149.4	0	0	0	110.5	S180	S180-L182 PolarHBondContact O-N 3.06Å
183	S	40.2	Very low	40.3	Very low	122 Å²	122	139.9 Å²	139.9	85%	0.853	77%	0.768	S	S	*	*			trans	-128.5	66.2	148.4	67.2	0	0	0	0	107.9
184	G	38.3	Very low	40.6	Very low	59 Å²	59	136.6 Å²	136.6	61%	0.608	76%	0.763	S	S	*	*			trans	-130.3	113.7	151.1	0	0	0	0	0	105.9
185	P	42.4	Very low	41	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	76%	0.758	S	S	*	*			trans	-136.6	115.6	141.3	29.6	-12.2	0	0	0	110.3
186	Y	37.9	Very low	41.5	Very low	247 Å²	247	126.4 Å²	126.4	97%	0.969	76%	0.755	S	S	*	*			trans	-53.1	135.1	140	-88.1	-98.1	0	0	0	108.9
187	G	31.9	Very low	42.2	Very low	63 Å²	63	126.5 Å²	126.5	65%	0.649	76%	0.76	S	S	*	*			trans	78.9	133.5	174.1	0	0	0	0	0	111.9
188	E	40.3	Very low	42.1	Very low	172 Å²	172	130.9 Å²	130.9	80%	0.804	77%	0.772	S	S	*	*			cis	-176	136.1	36	-168.3	170.6	178.2	0	0	106.6
189	N	38.7	Very low	42.4	Very low	132 Å²	132	137.6 Å²	137.6	71%	0.706	80%	0.799	S	S	*	*			trans	38	115.3	153.5	-63.2	-35.2	0	0	0	117.6
190	T	47.1	Very low	42.6	Very low	126 Å²	126	136.3 Å²	136.3	77%	0.773	80%	0.801	S	S	*	*				-170.6	114.8	69.3	33.6	0	0	0	0	110.7	Q192	T190-Q192 PolarHBondContact O-N 3.19Å
191	N	38.4	Very low	42.7	Very low	166 Å²	166	138.1 Å²	138.1	89%	0.888	81%	0.805	S	S	*	*			trans	-58.3	113	135.5	-87.8	-32.6	0	0	0	106.1
192	Q	38.7	Very low	43.1	Very low	170 Å²	170	139.4 Å²	139.4	79%	0.794	81%	0.809	S	S	*	*			trans	172.1	134.5	134.9	-99	179.5	27.8	0	0	113.4	T190	T190-Q192 PolarHBondContact O-N 3.19Å
193	L	40.7	Very low	43.5	Very low	153 Å²	153	138 Å²	138	80%	0.801	81%	0.806	S	S	*	*			trans	80	96.1	159.4	-77	91.8	0	0	0	119.4
194	A	53.1	Low	43.7	Very low	87 Å²	87	139 Å²	139	72%	0.719	80%	0.803	S	S	*	*			trans	-36.5	155	144.5	0	0	0	0	0	114.5
195	P	56.7	Low	44	Very low	109 Å²	109	144.3 Å²	144.3	71%	0.708	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.1	154.8	-167.2	28.3	-36.4	0	0	0	113.7	V197	P195-V197 PolarHBondContact O-N 3.34Å
196	P	51.9	Low	44.2	Very low	124 Å²	124	146.6 Å²	146.6	81%	0.805	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69.6	122.4	172	29.6	-31.3	0	0	0	109.8
197	V	58.7	Low	44.6	Very low	135 Å²	135	138.9 Å²	138.9	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-75.8	131.8	160.4	174.6	0	0	0	0	107.7	P195	P195-V197 PolarHBondContact O-N 3.34Å
198	I	40.2	Very low	45.7	Very low	163 Å²	163	145.3 Å²	145.3	84%	0.836	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-72.1	117.4	179.4	-61.9	161.3	0	0	0	109.3
199	V	43.7	Very low	46.2	Very low	206 Å²	206	142.8 Å²	142.8	100%	1.248	83%	0.827	S	S	*	*			trans	-143.7	0	147.9	-179.5	0	0	0	0	107.5

Retrieved 199 of 199 residues in 149.6 ms (Link to these results)

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