A0A5K4F8E1_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8E1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 137 aa.

						>A0A5K4F8E1_SCHMA|A0A5K4F8E1
METIDERRKKKVDAERLRRKKINHRLDHLRNTLALSKDTTRIQILKYAADKLIGIPSINNYTTEYKSDTLNHINTEPYEQNQFLGHNNSTIDKVKYTKASIEQYRRRLERIEYDRIHSFLGGEKVNFIILDKDSDVN
					

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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	70.1	Confident	87.9	Confident	238 Å²	238	130.3 Å²	130.3	100%	1.172	60%	0.597	S	S	*	*				0	127.7	0	-104.5	-179.8	174.1	0	0	107.7
2	E	78.5	Confident	88.5	Confident	64 Å²	64	127.1 Å²	127.1	30%	0.299	59%	0.594	S	S	.	*			trans	-70.5	134.5	174.9	-170	-179.5	-161.5	0	0	110.2	E6 R7 K10	E2-E6 WeakPolarHBondContact CA-OE2 3.38Å; E2-E6 HydrophobicContact CG-CB 3.52Å; E2-E6 HydrophobicContact CG-CG 4.47Å; E2-E6 VanDerWaalsContact CG-OE2 3.24Å; E2-E6 WeakPolarHBondContact CG-OE2 3.29Å; E2-R7 HydrophobicContact CB-CG 4.42Å; E2-R7 HydrophobicContact CG-CG 3.92Å; E2-R7 WeakPolarHBondContact OE2-CG 3.5Å; E2-R7 IonicContact OE2-NE 3.68Å; E2-K10 VanDerWaalsContact CD-NZ 3.33Å; E2-K10 WeakPolarHBondContact OE1-CD 3.34Å; E2-K10 WeakPolarHBondContact OE1-CE 3.25Å; E2-K10 IonicContact OE1-NZ 3.49Å; E2-K10 PolarHBondContact OE1-NZ 2.83Å; E2-K10 IonicContact OE2-NZ 3.75Å
3	T	85.9	Confident	89.1	Confident	70 Å²	70	123.4 Å²	123.4	43%	0.429	58%	0.581	S	S	.	*			trans	-71.4	156.8	-179.9	66.4	0	0	0	0	111.2	D5 E6 R7	T3-D5 PolarHBondContact O-N 2.99Å; T3-E6 PolarHBondContact N-OE2 2.94Å; T3-E6 PolarHBondContact O-N 2.88Å; T3-E6 WeakPolarHBondContact OG1-CB 3.24Å; T3-E6 VanDerWaalsContact OG1-CD 3.29Å; T3-E6 WeakPolarHBondContact OG1-CG 3.36Å; T3-E6 PolarHBondContact OG1-N 3.32Å; T3-E6 PolarHBondContact OG1-OE2 2.97Å; T3-R7 PolarHBondContact O-N 2.97Å
4	I	88.7	Confident	89.6	Confident	116 Å²	116	118.6 Å²	118.6	60%	0.595	57%	0.573	S	S	*	*	H	α-helix	trans	-58.1	-36.6	176.4	-67.6	172.4	0	0	0	110.7	R7 R8	I4-R7 PolarHBondContact O-N 3.21Å; I4-R8 WeakPolarHBondContact O-CG 3.24Å; I4-R8 PolarHBondContact O-N 2.66Å
5	D	90.2	Very high	90.2	Very high	110 Å²	110	114.9 Å²	114.9	59%	0.588	55%	0.554	S	S	*	*	H	α-helix	trans	-72.1	-37.9	179.9	-67.4	-31.2	0	0	0	112.5	T3 R7 R8 K9	T3-D5 PolarHBondContact O-N 2.99Å; D5-R7 VanDerWaalsContact C-N 3.35Å; D5-R7 PolarHBondContact O-N 3.27Å; D5-R8 PolarHBondContact O-N 3.45Å; D5-R8 IonicContact OD1-NH1 3.71Å; D5-K9 WeakPolarHBondContact O-CB 3.4Å; D5-K9 PolarHBondContact O-N 2.75Å
6	E	90.1	Very high	90.6	Very high	95 Å²	95	119.2 Å²	119.2	44%	0.444	56%	0.563	S	S	.	*	H	α-helix	trans	-59.4	-45.7	170.4	-77.7	164.8	-179.6	0	0	111.4	E2 T3 R8 K9 K10	E2-E6 WeakPolarHBondContact CA-OE2 3.38Å; E2-E6 HydrophobicContact CG-CB 3.52Å; E2-E6 HydrophobicContact CG-CG 4.47Å; E2-E6 VanDerWaalsContact CG-OE2 3.24Å; E2-E6 WeakPolarHBondContact CG-OE2 3.29Å; T3-E6 PolarHBondContact N-OE2 2.94Å; T3-E6 PolarHBondContact O-N 2.88Å; T3-E6 WeakPolarHBondContact OG1-CB 3.24Å; T3-E6 VanDerWaalsContact OG1-CD 3.29Å; T3-E6 WeakPolarHBondContact OG1-CG 3.36Å; T3-E6 PolarHBondContact OG1-N 3.32Å; T3-E6 PolarHBondContact OG1-OE2 2.97Å; E6-R8 VanDerWaalsContact C-N 3.34Å; E6-R8 PolarHBondContact O-N 3.3Å; E6-K9 PolarHBondContact O-N 2.87Å; E6-K10 WeakPolarHBondContact O-CG 3.28Å; E6-K10 PolarHBondContact O-N 3.24Å
7	R	90.2	Very high	91	Very high	142 Å²	142	117.9 Å²	117.9	54%	0.536	56%	0.56	S	S	.	*	H	α-helix	trans	-60.8	-41.7	175.9	-71.6	179.1	177.5	177	0.6	112.2	E2 T3 I4 D5 K11	E2-R7 HydrophobicContact CB-CG 4.42Å; E2-R7 HydrophobicContact CG-CG 3.92Å; E2-R7 WeakPolarHBondContact OE2-CG 3.5Å; E2-R7 IonicContact OE2-NE 3.68Å; T3-R7 PolarHBondContact O-N 2.97Å; I4-R7 PolarHBondContact O-N 3.21Å; D5-R7 VanDerWaalsContact C-N 3.35Å; D5-R7 PolarHBondContact O-N 3.27Å; R7-K11 WeakPolarHBondContact O-CG 3.37Å; R7-K11 PolarHBondContact O-N 2.84Å
8	R	91.4	Very high	91.4	Very high	162 Å²	162	119.2 Å²	119.2	61%	0.611	56%	0.558	S	S	*	*	H	α-helix	trans	-64.1	-45.6	176.1	-75.9	173.1	175.5	178.6	-2.5	111.1	I4 D5 E6 K11 V12	I4-R8 WeakPolarHBondContact O-CG 3.24Å; I4-R8 PolarHBondContact O-N 2.66Å; D5-R8 PolarHBondContact O-N 3.45Å; D5-R8 IonicContact OD1-NH1 3.71Å; E6-R8 VanDerWaalsContact C-N 3.34Å; E6-R8 PolarHBondContact O-N 3.3Å; R8-K11 PolarHBondContact O-N 2.82Å; R8-V12 WeakPolarHBondContact O-CG2 3.4Å; R8-V12 PolarHBondContact O-N 3.44Å; R8-V12 VanDerWaalsContact O-N 3.08Å
9	K	94.1	Very high	91.7	Very high	145 Å²	145	120.9 Å²	120.9	63%	0.63	56%	0.559	S	S	*	*	H	α-helix	trans	-60.5	-46.8	178.4	-171.7	176.5	179.7	-178.4	0	111.7	D5 E6 K11 V12 D13	D5-K9 WeakPolarHBondContact O-CB 3.4Å; D5-K9 PolarHBondContact O-N 2.75Å; E6-K9 PolarHBondContact O-N 2.87Å; K9-K11 VanDerWaalsContact C-N 3.3Å; K9-K11 PolarHBondContact O-N 2.92Å; K9-V12 PolarHBondContact O-N 3.32Å; K9-V12 VanDerWaalsContact O-N 3.11Å; K9-D13 PolarHBondContact O-N 3Å
10	K	93.4	Very high	92	Very high	129 Å²	129	122.7 Å²	122.7	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-57.7	-40.1	175.7	-74.4	-171.8	-174	164.3	0	112.9	E2 E6 D13 A14	E2-K10 VanDerWaalsContact CD-NZ 3.33Å; E2-K10 WeakPolarHBondContact OE1-CD 3.34Å; E2-K10 WeakPolarHBondContact OE1-CE 3.25Å; E2-K10 IonicContact OE1-NZ 3.49Å; E2-K10 PolarHBondContact OE1-NZ 2.83Å; E2-K10 IonicContact OE2-NZ 3.75Å; E6-K10 WeakPolarHBondContact O-CG 3.28Å; E6-K10 PolarHBondContact O-N 3.24Å; K10-D13 PolarHBondContact O-N 3.04Å; K10-A14 VanDerWaalsContact O-CB 3.3Å; K10-A14 WeakPolarHBondContact O-CB 3.37Å; K10-A14 PolarHBondContact O-N 3.2Å
11	K	94	Very high	92.3	Very high	162 Å²	162	123.2 Å²	123.2	70%	0.704	57%	0.566	S	S	*	*	H	α-helix	trans	-64.2	-43	175.7	-73.4	179.6	179	-174.8	0	112.2	R7 R8 K9 A14 E15	R7-K11 WeakPolarHBondContact O-CG 3.37Å; R7-K11 PolarHBondContact O-N 2.84Å; R8-K11 PolarHBondContact O-N 2.82Å; K9-K11 VanDerWaalsContact C-N 3.3Å; K9-K11 PolarHBondContact O-N 2.92Å; K11-A14 PolarHBondContact O-N 3.46Å; K11-E15 PolarHBondContact O-N 2.79Å
12	V	95.5	Very high	93.6	Very high	92 Å²	92	114.7 Å²	114.7	56%	0.558	53%	0.525	S	S	*	.	H	α-helix	trans	-63.8	-44	177	173.2	0	0	0	0	110.9	R8 K9 E15 R16	R8-V12 WeakPolarHBondContact O-CG2 3.4Å; R8-V12 PolarHBondContact O-N 3.44Å; R8-V12 VanDerWaalsContact O-N 3.08Å; K9-V12 PolarHBondContact O-N 3.32Å; K9-V12 VanDerWaalsContact O-N 3.11Å; V12-E15 PolarHBondContact O-N 3.2Å; V12-R16 WeakPolarHBondContact O-CB 3.04Å; V12-R16 PolarHBondContact O-N 2.84Å
13	D	96.1	Very high	94.5	Very high	79 Å²	79	114 Å²	114	42%	0.422	52%	0.523	S	S	.	.	H	α-helix	trans	-65.6	-39.7	178.5	-70.6	-26.2	0	0	0	111.9	K9 K10 R16 L17	K9-D13 PolarHBondContact O-N 3Å; K10-D13 PolarHBondContact O-N 3.04Å; D13-R16 PolarHBondContact O-N 2.86Å; D13-L17 WeakPolarHBondContact O-CB 3.35Å; D13-L17 PolarHBondContact O-N 2.97Å
14	A	96.4	Very high	95	Very high	57 Å²	57	116.9 Å²	116.9	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-62	-44.3	174.5	0	0	0	0	0	112.1	K10 K11 L17 R18	K10-A14 VanDerWaalsContact O-CB 3.3Å; K10-A14 WeakPolarHBondContact O-CB 3.37Å; K10-A14 PolarHBondContact O-N 3.2Å; K11-A14 PolarHBondContact O-N 3.46Å; A14-L17 PolarHBondContact O-N 3.33Å; A14-R18 WeakPolarHBondContact O-CB 3.32Å; A14-R18 PolarHBondContact O-N 3.39Å
15	E	97.7	Very high	95.5	Very high	62 Å²	62	120.5 Å²	120.5	29%	0.29	54%	0.537	S	S	.	.	H	α-helix	trans	-67.4	-38.1	176.1	176.4	57.8	-168.3	0	0	111.7	K11 V12 L17 R18 R19	K11-E15 PolarHBondContact O-N 2.79Å; V12-E15 PolarHBondContact O-N 3.2Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 2.93Å; E15-R18 PolarHBondContact O-N 3.39Å; E15-R18 IonicContact OE1-NH1 3.25Å; E15-R18 IonicContact OE2-NH1 3.46Å; E15-R18 PolarHBondContact OE2-NH1 3.07Å; E15-R19 WeakPolarHBondContact O-CG 3.43Å; E15-R19 PolarHBondContact O-N 3Å; E15-R19 IonicContact OE1-CZ 2.64Å; E15-R19 IonicContact OE1-NE 3.82Å; E15-R19 PolarHBondContact OE1-NE 3.41Å; E15-R19 IonicContact OE1-NH2 3.69Å; E15-R19 PolarHBondContact OE1-NH2 2.97Å
16	R	97.4	Very high	95.8	Very high	184 Å²	184	116.2 Å²	116.2	69%	0.694	51%	0.514	S	S	*	.	H	α-helix	trans	-60.1	-44.9	173.6	-175.7	-178.8	-83.2	-155.3	-3.1	110.9	V12 D13 R19 K20	V12-R16 WeakPolarHBondContact O-CB 3.04Å; V12-R16 PolarHBondContact O-N 2.84Å; D13-R16 PolarHBondContact O-N 2.86Å; R16-R19 PolarHBondContact O-N 3.43Å; R16-K20 PolarHBondContact O-N 3.07Å
17	L	97.7	Very high	96.1	Very high	97 Å²	97	115.1 Å²	115.1	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-43.4	175.9	-178.4	61.9	0	0	0	111.7	D13 A14 E15 K20 K21	D13-L17 WeakPolarHBondContact O-CB 3.35Å; D13-L17 PolarHBondContact O-N 2.97Å; A14-L17 PolarHBondContact O-N 3.33Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 2.93Å; L17-K20 WeakPolarHBondContact O-CB 3.33Å; L17-K20 PolarHBondContact O-N 2.77Å; L17-K21 PolarHBondContact O-N 3.36Å
18	R	97.6	Very high	96.4	Very high	141 Å²	141	114 Å²	114	53%	0.532	51%	0.512	S	S	.	.	H	α-helix	trans	-59	-47.9	176.3	-179.3	176.6	171.2	-84	-4.8	111.4	A14 E15 K20 K21 I22	A14-R18 WeakPolarHBondContact O-CB 3.32Å; A14-R18 PolarHBondContact O-N 3.39Å; E15-R18 PolarHBondContact O-N 3.39Å; E15-R18 IonicContact OE1-NH1 3.25Å; E15-R18 IonicContact OE2-NH1 3.46Å; E15-R18 PolarHBondContact OE2-NH1 3.07Å; R18-K20 VanDerWaalsContact C-N 3.33Å; R18-K20 PolarHBondContact O-N 2.83Å; R18-K21 PolarHBondContact O-N 2.76Å; R18-I22 HydrophobicContact CG-CD1 4.04Å; R18-I22 WeakPolarHBondContact O-CG1 3.28Å; R18-I22 PolarHBondContact O-N 3.42Å
19	R	97.6	Very high	96.7	Very high	153 Å²	153	108.7 Å²	108.7	58%	0.577	50%	0.496	S	S	*	.	H	α-helix	trans	-60.9	-40.6	176.4	-72.6	-179.4	-176.9	-134.7	-2.3	112.2	E15 R16 K21 I22 N23	E15-R19 WeakPolarHBondContact O-CG 3.43Å; E15-R19 PolarHBondContact O-N 3Å; E15-R19 IonicContact OE1-CZ 2.64Å; E15-R19 IonicContact OE1-NE 3.82Å; E15-R19 PolarHBondContact OE1-NE 3.41Å; E15-R19 IonicContact OE1-NH2 3.69Å; E15-R19 PolarHBondContact OE1-NH2 2.97Å; R16-R19 PolarHBondContact O-N 3.43Å; R19-K21 PolarHBondContact O-N 2.95Å; R19-I22 PolarHBondContact O-N 3.44Å; R19-N23 WeakPolarHBondContact O-CB 3.47Å; R19-N23 PolarHBondContact O-N 3.34Å; R19-N23 PolarHBondContact O-ND2 3.1Å
20	K	98.1	Very high	96.8	Very high	155 Å²	155	103.8 Å²	103.8	67%	0.674	47%	0.473	S	S	*	.	H	α-helix	trans	-60.4	-45.6	176.4	-167.1	177.7	-178	-178.7	0	111.5	R16 L17 R18 N23 H24	R16-K20 PolarHBondContact O-N 3.07Å; L17-K20 WeakPolarHBondContact O-CB 3.33Å; L17-K20 PolarHBondContact O-N 2.77Å; R18-K20 VanDerWaalsContact C-N 3.33Å; R18-K20 PolarHBondContact O-N 2.83Å; K20-N23 PolarHBondContact O-N 3.25Å; K20-H24 WeakPolarHBondContact O-CB 3.4Å; K20-H24 PolarHBondContact O-N 3.07Å
21	K	98.2	Very high	96.9	Very high	134 Å²	134	102.7 Å²	102.7	58%	0.583	47%	0.473	S	S	*	.	H	α-helix	trans	-62.4	-43.8	176.4	-70.9	-179.8	178.2	-176.4	0	112.3	L17 R18 R19 H24 R25	L17-K21 PolarHBondContact O-N 3.36Å; R18-K21 PolarHBondContact O-N 2.76Å; R19-K21 PolarHBondContact O-N 2.95Å; K21-H24 PolarHBondContact O-N 3.33Å; K21-R25 WeakPolarHBondContact O-CG 3.33Å; K21-R25 PolarHBondContact O-N 2.83Å
22	I	97.4	Very high	97	Very high	60 Å²	60	99.5 Å²	99.5	31%	0.308	47%	0.468	S	S	.	.	H	α-helix	trans	-61.8	-47.1	177.7	-70	168.3	0	0	0	110.9	R18 R19 H24 R25 L26	R18-I22 HydrophobicContact CG-CD1 4.04Å; R18-I22 WeakPolarHBondContact O-CG1 3.28Å; R18-I22 PolarHBondContact O-N 3.42Å; R19-I22 PolarHBondContact O-N 3.44Å; I22-H24 VanDerWaalsContact C-N 3.34Å; I22-H24 PolarHBondContact O-N 2.98Å; I22-R25 PolarHBondContact O-N 3.37Å; I22-L26 HydrophobicContact CG2-CD1 4.08Å; I22-L26 PolarHBondContact O-N 3.35Å
23	N	96.4	Very high	97	Very high	48 Å²	48	97 Å²	97	26%	0.257	45%	0.451	S	S	.	.	H	α-helix	trans	-63.2	-42.6	179.8	-65.8	-16.1	0	0	0	111.5	R19 K20 R25 L26 D27 R41	R19-N23 WeakPolarHBondContact O-CB 3.47Å; R19-N23 PolarHBondContact O-N 3.34Å; R19-N23 PolarHBondContact O-ND2 3.1Å; K20-N23 PolarHBondContact O-N 3.25Å; N23-R25 VanDerWaalsContact C-N 3.31Å; N23-R25 PolarHBondContact O-N 3.24Å; N23-L26 WeakPolarHBondContact O-CB 3.38Å; N23-L26 PolarHBondContact O-N 2.83Å; N23-L26 VanDerWaalsContact O-N 3.14Å; N23-D27 PolarHBondContact O-N 3.4Å; N23-R41 PolarHBondContact ND2-NH2 3.14Å; N23-R41 PolarHBondContact OD1-NH1 2.97Å; N23-R41 PolarHBondContact OD1-NH2 3.08Å
24	H	97.6	Very high	97	Very high	132 Å²	132	97.7 Å²	97.7	61%	0.611	47%	0.467	S	S	*	.	H	α-helix	trans	-59.1	-42.4	175.7	-178.1	64.1	0	0	0	112.3	K20 K21 I22 D27 H28	K20-H24 WeakPolarHBondContact O-CB 3.4Å; K20-H24 PolarHBondContact O-N 3.07Å; K21-H24 PolarHBondContact O-N 3.33Å; I22-H24 VanDerWaalsContact C-N 3.34Å; I22-H24 PolarHBondContact O-N 2.98Å; H24-D27 PolarHBondContact O-N 3.03Å; H24-H28 PolarHBondContact O-N 2.85Å
25	R	97.7	Very high	96.9	Very high	192 Å²	192	96.7 Å²	96.7	73%	0.725	45%	0.454	S	S	*	.	H	α-helix	trans	-65.2	-38	175.2	-71.3	174.2	66.9	-173.8	1.5	112.4	K21 I22 N23 H28 L29	K21-R25 WeakPolarHBondContact O-CG 3.33Å; K21-R25 PolarHBondContact O-N 2.83Å; I22-R25 PolarHBondContact O-N 3.37Å; N23-R25 VanDerWaalsContact C-N 3.31Å; N23-R25 PolarHBondContact O-N 3.24Å; R25-H28 PolarHBondContact O-N 3.36Å; R25-L29 WeakPolarHBondContact O-CB 3.49Å; R25-L29 PolarHBondContact O-N 2.87Å
26	L	96.7	Very high	96.8	Very high	20 Å²	20	97 Å²	97	11%	0.105	46%	0.463	C	S	.	.	H	α-helix	trans	-66.3	-40.7	175.5	-78	169.3	0	0	0	112	I22 N23 L29 R30 R41 I44 L45	I22-L26 HydrophobicContact CG2-CD1 4.08Å; I22-L26 PolarHBondContact O-N 3.35Å; N23-L26 WeakPolarHBondContact O-CB 3.38Å; N23-L26 PolarHBondContact O-N 2.83Å; N23-L26 VanDerWaalsContact O-N 3.14Å; L26-L29 PolarHBondContact O-N 3.02Å; L26-R30 WeakPolarHBondContact O-CB 3.26Å; L26-R30 PolarHBondContact O-N 3.39Å; L26-R41 HydrophobicContact CD1-CB 4.19Å; L26-R41 HydrophobicContact CD1-CG 3.88Å; L26-I44 HydrophobicContact CD2-CG2 4.4Å; L26-L45 HydrophobicContact CD2-CD1 4.3Å; L26-L45 HydrophobicContact CD2-CD2 3.73Å; L26-L45 HydrophobicContact CD2-CG 3.83Å
27	D	96.3	Very high	96.7	Very high	71 Å²	71	96.4 Å²	96.4	38%	0.38	47%	0.465	S	S	.	.	H	α-helix	trans	-64.7	-42.6	175.3	-73.4	-35.9	0	0	0	111.4	N23 H24 R30 N31	N23-D27 PolarHBondContact O-N 3.4Å; H24-D27 PolarHBondContact O-N 3.03Å; D27-R30 WeakPolarHBondContact O-CB 3.41Å; D27-R30 PolarHBondContact O-N 3.03Å; D27-R30 IonicContact OD1-CZ 3.93Å; D27-R30 IonicContact OD1-NH2 2.83Å; D27-N31 PolarHBondContact O-N 2.87Å; D27-N31 PolarHBondContact O-ND2 2.88Å; D27-N31 PolarHBondContact O-OD1 3.35Å
28	H	97.4	Very high	96.6	Very high	119 Å²	119	98.6 Å²	98.6	55%	0.551	48%	0.478	S	S	*	.	H	α-helix	trans	-59	-49.2	173.4	-173.5	-72.4	0	0	0	110.8	H24 R25 R30 N31 T32	H24-H28 PolarHBondContact O-N 2.85Å; R25-H28 PolarHBondContact O-N 3.36Å; H28-R30 VanDerWaalsContact C-N 3.33Å; H28-R30 PolarHBondContact O-N 2.9Å; H28-N31 PolarHBondContact O-N 3.45Å; H28-N31 VanDerWaalsContact O-N 3.17Å; H28-T32 PolarHBondContact CE1-OG1 2.87Å; H28-T32 PolarHBondContact ND1-OG1 3.18Å; H28-T32 PolarHBondContact O-N 3.13Å; H28-T32 PolarHBondContact O-OG1 3.45Å
29	L	96.9	Very high	96.5	Very high	51 Å²	51	93.4 Å²	93.4	27%	0.267	46%	0.462	S	S	.	.	H	α-helix	trans	-60.2	-42.1	178.9	-174.7	59.9	0	0	0	111.9	R25 L26 N31 T32 L33 I44 L45 A48	R25-L29 WeakPolarHBondContact O-CB 3.49Å; R25-L29 PolarHBondContact O-N 2.87Å; L26-L29 PolarHBondContact O-N 3.02Å; L29-N31 VanDerWaalsContact C-N 3.33Å; L29-N31 PolarHBondContact O-N 2.97Å; L29-T32 PolarHBondContact O-N 3.38Å; L29-L33 HydrophobicContact CD1-CD1 3.74Å; L29-L33 HydrophobicContact CD1-CG 4.18Å; L29-L33 HydrophobicContact CG-CD1 3.75Å; L29-L33 WeakPolarHBondContact O-CB 3.29Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 3.17Å; L29-I44 HydrophobicContact CB-CG2 4.22Å; L29-I44 HydrophobicContact CD2-CG2 3.89Å; L29-I44 HydrophobicContact CG-CG2 3.94Å; L29-L45 HydrophobicContact CD2-CD2 4.28Å; L29-A48 HydrophobicContact CD1-CB 4.23Å; L29-A48 HydrophobicContact CD2-CB 3.8Å; L29-A48 HydrophobicContact CG-CB 4.32Å
30	R	97.1	Very high	96.4	Very high	41 Å²	41	89.5 Å²	89.5	16%	0.155	46%	0.455	C	S	.	.	H	α-helix	trans	-57	-47.4	174.5	-174	-169.8	61.6	-172.5	-12.1	111.3	L26 D27 H28 L33 A34 L35 S36 K37 I44	L26-R30 WeakPolarHBondContact O-CB 3.26Å; L26-R30 PolarHBondContact O-N 3.39Å; D27-R30 WeakPolarHBondContact O-CB 3.41Å; D27-R30 PolarHBondContact O-N 3.03Å; D27-R30 IonicContact OD1-CZ 3.93Å; D27-R30 IonicContact OD1-NH2 2.83Å; H28-R30 VanDerWaalsContact C-N 3.33Å; H28-R30 PolarHBondContact O-N 2.9Å; R30-L33 CarbonylContact O-C 3.6Å; R30-L33 PolarHBondContact O-N 2.96Å; R30-A34 PolarHBondContact O-N 2.92Å; R30-A34 VanDerWaalsContact O-N 3.16Å; R30-L35 HydrophobicContact CG-CB 3.75Å; R30-L35 PolarHBondContact O-N 3.47Å; R30-S36 WeakPolarHBondContact CD-O 3.44Å; R30-K37 PolarHBondContact NH1-O 3.37Å; R30-I44 HydrophobicContact CB-CD1 3.84Å; R30-I44 HydrophobicContact CB-CG1 4.19Å; R30-I44 HydrophobicContact CB-CG2 4.48Å; R30-I44 HydrophobicContact CG-CD1 4.02Å; R30-I44 HydrophobicContact CG-CG1 4.23Å
31	N	96.2	Very high	96.3	Very high	107 Å²	107	89.2 Å²	89.2	57%	0.572	45%	0.449	S	S	*	.	H	α-helix	trans	-67.1	-42.6	-179.6	-64.6	-11.3	0	0	0	111.3	D27 H28 L29 L33 A34	D27-N31 PolarHBondContact O-N 2.87Å; D27-N31 PolarHBondContact O-ND2 2.88Å; D27-N31 PolarHBondContact O-OD1 3.35Å; H28-N31 PolarHBondContact O-N 3.45Å; H28-N31 VanDerWaalsContact O-N 3.17Å; L29-N31 VanDerWaalsContact C-N 3.33Å; L29-N31 PolarHBondContact O-N 2.97Å; N31-L33 VanDerWaalsContact C-N 3.25Å; N31-L33 PolarHBondContact O-N 3.38Å; N31-A34 PolarHBondContact O-N 3.4Å; N31-A34 VanDerWaalsContact O-N 3.08Å
32	T	96.2	Very high	96.3	Very high	95 Å²	95	88.7 Å²	88.7	58%	0.583	45%	0.452	S	S	*	.	H	α-helix	trans	-59.7	-36.9	175.9	-56.7	0	0	0	0	112.1	H28 L29 A34	H28-T32 PolarHBondContact CE1-OG1 2.87Å; H28-T32 PolarHBondContact ND1-OG1 3.18Å; H28-T32 PolarHBondContact O-N 3.13Å; H28-T32 PolarHBondContact O-OG1 3.45Å; L29-T32 PolarHBondContact O-N 3.38Å; T32-A34 VanDerWaalsContact C-N 3.29Å
33	L	95.2	Very high	96.2	Very high	40 Å²	40	90.7 Å²	90.7	21%	0.209	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4.6	178.9	-63.2	167.9	0	0	0	113.3	L29 R30 N31 L35 Y47 A48	L29-L33 HydrophobicContact CD1-CD1 3.74Å; L29-L33 HydrophobicContact CD1-CG 4.18Å; L29-L33 HydrophobicContact CG-CD1 3.75Å; L29-L33 WeakPolarHBondContact O-CB 3.29Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 3.17Å; R30-L33 CarbonylContact O-C 3.6Å; R30-L33 PolarHBondContact O-N 2.96Å; N31-L33 VanDerWaalsContact C-N 3.25Å; N31-L33 PolarHBondContact O-N 3.38Å; L33-L35 HydrophobicContact CB-CD1 3.9Å; L33-L35 HydrophobicContact CB-CG 3.75Å; L33-L35 HydrophobicContact CD1-CD1 4.1Å; L33-L35 PolarHBondContact O-N 3.01Å; L33-Y47 HydrophobicContact CB-CD1 4.33Å; L33-Y47 HydrophobicContact CB-CE1 4.4Å; L33-Y47 HydrophobicContact CD1-CD1 4.11Å; L33-Y47 HydrophobicContact CD2-CD1 4.2Å; L33-Y47 HydrophobicContact CD2-CE1 4.23Å; L33-Y47 HydrophobicContact CG-CD1 4.44Å; L33-A48 HydrophobicContact CD1-CB 3.78Å
34	A	95.7	Very high	96.3	Very high	92 Å²	92	88.7 Å²	88.7	76%	0.76	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	36.5	-176.8	0	0	0	0	0	113.8	R30 N31 T32	R30-A34 PolarHBondContact O-N 2.92Å; R30-A34 VanDerWaalsContact O-N 3.16Å; N31-A34 PolarHBondContact O-N 3.4Å; N31-A34 VanDerWaalsContact O-N 3.08Å; T32-A34 VanDerWaalsContact C-N 3.29Å
35	L	94.8	Very high	96.2	Very high	36 Å²	36	86.6 Å²	86.6	19%	0.188	44%	0.442	C	S	.	.			trans	-81.6	151.4	-179.4	-62.8	173.5	0	0	0	111.3	R30 L33 T39 I44 Y47	R30-L35 HydrophobicContact CG-CB 3.75Å; R30-L35 PolarHBondContact O-N 3.47Å; L33-L35 HydrophobicContact CB-CD1 3.9Å; L33-L35 HydrophobicContact CB-CG 3.75Å; L33-L35 HydrophobicContact CD1-CD1 4.1Å; L33-L35 PolarHBondContact O-N 3.01Å; L35-T39 HydrophobicContact CD1-CG2 4.35Å; L35-I44 HydrophobicContact CD1-CB 4.26Å; L35-I44 HydrophobicContact CD1-CG1 3.97Å; L35-I44 HydrophobicContact CD1-CG2 4.31Å; L35-Y47 HydrophobicContact CD1-CD1 4.44Å; L35-Y47 HydrophobicContact CD2-CD1 4.14Å; L35-Y47 HydrophobicContact CD2-CD2 4.49Å; L35-Y47 HydrophobicContact CD2-CE1 4.32Å; L35-Y47 HydrophobicContact CD2-CG 4.21Å
36	S	95.8	Very high	96.1	Very high	68 Å²	68	83.8 Å²	83.8	48%	0.476	44%	0.435	S	S	.	.			trans	-59.6	151	177.3	175.3	0	0	0	0	111.9	R30 D38 T39	R30-S36 WeakPolarHBondContact CD-O 3.44Å; S36-D38 PolarHBondContact O-N 3Å; S36-D38 PolarHBondContact OG-N 3.16Å; S36-T39 PolarHBondContact N-OG1 3.48Å; S36-T39 VanDerWaalsContact O-CB 3.31Å; S36-T39 WeakPolarHBondContact O-CB 3.37Å; S36-T39 PolarHBondContact O-N 3.45Å; S36-T39 PolarHBondContact O-OG1 3.36Å; S36-T39 VanDerWaalsContact O-OG1 3.04Å
37	K	94.9	Very high	96	Very high	172 Å²	172	87.4 Å²	87.4	75%	0.748	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-28.7	176.4	-72.4	-174.6	-179.3	177	0	113	R30 T39	R30-K37 PolarHBondContact NH1-O 3.37Å; K37-T39 VanDerWaalsContact C-N 3.29Å; K37-T39 PolarHBondContact O-N 3.05Å
38	D	95.5	Very high	95.9	Very high	144 Å²	144	84.7 Å²	84.7	77%	0.77	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.2	-178.8	-53.9	-39.5	0	0	0	113.1	S36 T40	S36-D38 PolarHBondContact O-N 3Å; S36-D38 PolarHBondContact OG-N 3.16Å; D38-T40 PolarHBondContact O-N 3.04Å
39	T	94.7	Very high	95.7	Very high	32 Å²	32	81.2 Å²	81.2	20%	0.196	43%	0.427	C	S	.	.			trans	-66.6	126.2	178.8	-54.3	0	0	0	0	110.6	L35 S36 K37 Q43 I44	L35-T39 HydrophobicContact CD1-CG2 4.35Å; S36-T39 PolarHBondContact N-OG1 3.48Å; S36-T39 VanDerWaalsContact O-CB 3.31Å; S36-T39 WeakPolarHBondContact O-CB 3.37Å; S36-T39 PolarHBondContact O-N 3.45Å; S36-T39 PolarHBondContact O-OG1 3.36Å; S36-T39 VanDerWaalsContact O-OG1 3.04Å; K37-T39 VanDerWaalsContact C-N 3.29Å; K37-T39 PolarHBondContact O-N 3.05Å; T39-Q43 HydrophobicContact CG2-CB 3.51Å; T39-I44 HydrophobicContact CG2-CG1 3.9Å
40	T	96.4	Very high	95.3	Very high	70 Å²	70	82.8 Å²	82.8	43%	0.429	44%	0.435	S	S	.	.			trans	-70.4	158.1	-178.4	65.1	0	0	0	0	111.7	D38 I42 Q43 I44	D38-T40 PolarHBondContact O-N 3.04Å; T40-I42 VanDerWaalsContact C-N 3.26Å; T40-I42 PolarHBondContact O-N 3.38Å; T40-I42 WeakPolarHBondContact OG1-CG2 3.42Å; T40-Q43 PolarHBondContact O-N 3.48Å; T40-Q43 VanDerWaalsContact O-N 3.08Å; T40-Q43 VanDerWaalsContact OG1-CG 3.27Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.49Å; T40-Q43 PolarHBondContact OG1-N 3.05Å; T40-Q43 PolarHBondContact OG1-OE1 3.25Å; T40-I44 WeakPolarHBondContact O-CG1 3.41Å; T40-I44 PolarHBondContact O-N 3.08Å
41	R	96.2	Very high	95	Very high	149 Å²	149	85.9 Å²	85.9	56%	0.562	45%	0.45	S	S	*	.	H	α-helix	trans	-54	-41.4	179	-65.3	-175	174.6	158.3	7.2	113.2	N23 L26 I44 L45	N23-R41 PolarHBondContact ND2-NH2 3.14Å; N23-R41 PolarHBondContact OD1-NH1 2.97Å; N23-R41 PolarHBondContact OD1-NH2 3.08Å; L26-R41 HydrophobicContact CD1-CB 4.19Å; L26-R41 HydrophobicContact CD1-CG 3.88Å; R41-I44 PolarHBondContact O-N 2.86Å; R41-L45 WeakPolarHBondContact O-CG 3.31Å; R41-L45 PolarHBondContact O-N 3.41Å; R41-L45 VanDerWaalsContact O-N 3.13Å
42	I	96.6	Very high	94.6	Very high	124 Å²	124	86.9 Å²	86.9	64%	0.636	46%	0.455	S	S	*	.	H	α-helix	trans	-69.4	-37.8	-179.4	-170.2	61.7	0	0	0	111.5	T40 L45 K46	T40-I42 VanDerWaalsContact C-N 3.26Å; T40-I42 PolarHBondContact O-N 3.38Å; T40-I42 WeakPolarHBondContact OG1-CG2 3.42Å; I42-L45 PolarHBondContact O-N 3.42Å; I42-K46 VanDerWaalsContact O-CB 3.29Å; I42-K46 WeakPolarHBondContact O-CB 3.43Å; I42-K46 PolarHBondContact O-N 3.49Å
43	Q	96.7	Very high	94	Very high	101 Å²	101	89 Å²	89	47%	0.472	46%	0.461	S	S	.	.	H	α-helix	trans	-66.7	-40.5	175.6	-73.2	165.7	-36.7	0	0	111.7	T39 T40 L45 K46 Y47	T39-Q43 HydrophobicContact CG2-CB 3.51Å; T40-Q43 PolarHBondContact O-N 3.48Å; T40-Q43 VanDerWaalsContact O-N 3.08Å; T40-Q43 VanDerWaalsContact OG1-CG 3.27Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.49Å; T40-Q43 PolarHBondContact OG1-N 3.05Å; T40-Q43 PolarHBondContact OG1-OE1 3.25Å; Q43-L45 PolarHBondContact O-N 3.13Å; Q43-K46 PolarHBondContact O-N 3.46Å; Q43-Y47 WeakPolarHBondContact O-CB 3.46Å; Q43-Y47 PolarHBondContact O-N 3.23Å
44	I	97	Very high	92.8	Very high	6 Å²	6	90 Å²	90	3%	0.031	48%	0.481	C	S	.	.	H	α-helix	trans	-57.1	-50.6	174.3	-65.3	160.9	0	0	0	110.1	L26 L29 R30 L35 T39 T40 R41 A48	L26-I44 HydrophobicContact CD2-CG2 4.4Å; L29-I44 HydrophobicContact CB-CG2 4.22Å; L29-I44 HydrophobicContact CD2-CG2 3.89Å; L29-I44 HydrophobicContact CG-CG2 3.94Å; R30-I44 HydrophobicContact CB-CD1 3.84Å; R30-I44 HydrophobicContact CB-CG1 4.19Å; R30-I44 HydrophobicContact CB-CG2 4.48Å; R30-I44 HydrophobicContact CG-CD1 4.02Å; R30-I44 HydrophobicContact CG-CG1 4.23Å; L35-I44 HydrophobicContact CD1-CB 4.26Å; L35-I44 HydrophobicContact CD1-CG1 3.97Å; L35-I44 HydrophobicContact CD1-CG2 4.31Å; T39-I44 HydrophobicContact CG2-CG1 3.9Å; T40-I44 WeakPolarHBondContact O-CG1 3.41Å; T40-I44 PolarHBondContact O-N 3.08Å; R41-I44 PolarHBondContact O-N 2.86Å; I44-A48 WeakPolarHBondContact O-CB 3.29Å; I44-A48 PolarHBondContact O-N 3.46Å
45	L	97.1	Very high	91.2	Very high	88 Å²	88	90.6 Å²	90.6	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-65.8	-42.7	-179.3	-69.8	173.9	0	0	0	112.3	L26 L29 R41 I42 Q43 A48 A49	L26-L45 HydrophobicContact CD2-CD1 4.3Å; L26-L45 HydrophobicContact CD2-CD2 3.73Å; L26-L45 HydrophobicContact CD2-CG 3.83Å; L29-L45 HydrophobicContact CD2-CD2 4.28Å; R41-L45 WeakPolarHBondContact O-CG 3.31Å; R41-L45 PolarHBondContact O-N 3.41Å; R41-L45 VanDerWaalsContact O-N 3.13Å; I42-L45 PolarHBondContact O-N 3.42Å; Q43-L45 PolarHBondContact O-N 3.13Å; L45-A48 PolarHBondContact O-N 2.95Å; L45-A49 WeakPolarHBondContact O-CB 3.38Å; L45-A49 PolarHBondContact O-N 3.34Å
46	K	95.4	Very high	89.4	Confident	134 Å²	134	93.1 Å²	93.1	58%	0.583	49%	0.489	S	S	*	.	H	α-helix	trans	-60.2	-50.1	177.4	-172.7	-169.7	174	-158	0	110.8	I42 Q43 A48 A49 D50	I42-K46 VanDerWaalsContact O-CB 3.29Å; I42-K46 WeakPolarHBondContact O-CB 3.43Å; I42-K46 PolarHBondContact O-N 3.49Å; Q43-K46 PolarHBondContact O-N 3.46Å; K46-A48 VanDerWaalsContact C-N 3.31Å; K46-A48 PolarHBondContact O-N 2.97Å; K46-A49 PolarHBondContact O-N 3.14Å; K46-A49 VanDerWaalsContact O-N 3.13Å; K46-D50 PolarHBondContact O-N 3.04Å
47	Y	93.8	Very high	87.3	Confident	96 Å²	96	96 Å²	96	38%	0.376	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-40.5	179.8	-171.2	-89.2	0	0	0	112.1	L33 L35 Q43 A49 D50 K51	L33-Y47 HydrophobicContact CB-CD1 4.33Å; L33-Y47 HydrophobicContact CB-CE1 4.4Å; L33-Y47 HydrophobicContact CD1-CD1 4.11Å; L33-Y47 HydrophobicContact CD2-CD1 4.2Å; L33-Y47 HydrophobicContact CD2-CE1 4.23Å; L33-Y47 HydrophobicContact CG-CD1 4.44Å; L35-Y47 HydrophobicContact CD1-CD1 4.44Å; L35-Y47 HydrophobicContact CD2-CD1 4.14Å; L35-Y47 HydrophobicContact CD2-CD2 4.49Å; L35-Y47 HydrophobicContact CD2-CE1 4.32Å; L35-Y47 HydrophobicContact CD2-CG 4.21Å; Q43-Y47 WeakPolarHBondContact O-CB 3.46Å; Q43-Y47 PolarHBondContact O-N 3.23Å; Y47-A49 VanDerWaalsContact C-N 3.35Å; Y47-D50 PolarHBondContact O-N 3.47Å; Y47-K51 HydrophobicContact CD1-CG 3.98Å; Y47-K51 HydrophobicContact CE1-CD 4.27Å; Y47-K51 HydrophobicContact CE1-CG 3.68Å; Y47-K51 VanDerWaalsContact CZ-CE 3.44Å; Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 WeakPolarHBondContact O-CG 3.27Å; Y47-K51 PolarHBondContact O-N 3.04Å; Y47-K51 WeakPolarHBondContact OH-CE 3.41Å
48	A	94.6	Very high	84.9	Confident	14 Å²	14	94 Å²	94	12%	0.116	51%	0.505	C	S	.	.	H	α-helix	trans	-60.7	-44.1	174.6	0	0	0	0	0	111.9	L29 L33 I44 L45 K46 K51 L52	L29-A48 HydrophobicContact CD1-CB 4.23Å; L29-A48 HydrophobicContact CD2-CB 3.8Å; L29-A48 HydrophobicContact CG-CB 4.32Å; L33-A48 HydrophobicContact CD1-CB 3.78Å; I44-A48 WeakPolarHBondContact O-CB 3.29Å; I44-A48 PolarHBondContact O-N 3.46Å; L45-A48 PolarHBondContact O-N 2.95Å; K46-A48 VanDerWaalsContact C-N 3.31Å; K46-A48 PolarHBondContact O-N 2.97Å; A48-K51 PolarHBondContact O-N 3.39Å; A48-L52 WeakPolarHBondContact O-CG 3.43Å; A48-L52 PolarHBondContact O-N 2.99Å
49	A	93.6	Very high	82.3	Confident	45 Å²	45	92.7 Å²	92.7	37%	0.372	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-45.3	177.7	0	0	0	0	0	111.8	L45 K46 Y47 K51 L52 I53	L45-A49 WeakPolarHBondContact O-CB 3.38Å; L45-A49 PolarHBondContact O-N 3.34Å; K46-A49 PolarHBondContact O-N 3.14Å; K46-A49 VanDerWaalsContact O-N 3.13Å; Y47-A49 VanDerWaalsContact C-N 3.35Å; A49-K51 VanDerWaalsContact C-N 3.28Å; A49-K51 PolarHBondContact O-N 3.44Å; A49-L52 PolarHBondContact O-N 3.38Å; A49-L52 VanDerWaalsContact O-N 3.1Å; A49-I53 WeakPolarHBondContact O-CG1 3.47Å; A49-I53 PolarHBondContact O-N 2.88Å
50	D	88.7	Confident	79.4	Confident	84 Å²	84	98.6 Å²	98.6	45%	0.449	53%	0.529	S	S	.	.	H	α-helix	trans	-59.7	-40.4	177.4	-66	-17.7	0	0	0	110.8	K46 Y47 I53 G54	K46-D50 PolarHBondContact O-N 3.04Å; Y47-D50 PolarHBondContact O-N 3.47Å; D50-I53 PolarHBondContact O-N 3.21Å; D50-G54 PolarHBondContact O-N 3.38Å; D50-G54 VanDerWaalsContact O-N 3.07Å
51	K	89.4	Confident	76.6	Confident	107 Å²	107	104.7 Å²	104.7	47%	0.465	55%	0.545	S	S	.	.	H	α-helix	trans	-63.7	-40.4	174.2	-78.6	-72.2	-175.4	179.8	0	112.7	Y47 A48 A49 G54 I55	Y47-K51 HydrophobicContact CD1-CG 3.98Å; Y47-K51 HydrophobicContact CE1-CD 4.27Å; Y47-K51 HydrophobicContact CE1-CG 3.68Å; Y47-K51 VanDerWaalsContact CZ-CE 3.44Å; Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 WeakPolarHBondContact O-CG 3.27Å; Y47-K51 PolarHBondContact O-N 3.04Å; Y47-K51 WeakPolarHBondContact OH-CE 3.41Å; A48-K51 PolarHBondContact O-N 3.39Å; A49-K51 VanDerWaalsContact C-N 3.28Å; A49-K51 PolarHBondContact O-N 3.44Å; K51-G54 PolarHBondContact O-N 3.23Å; K51-I55 WeakPolarHBondContact O-CD1 3.46Å; K51-I55 VanDerWaalsContact O-CG1 3.24Å; K51-I55 WeakPolarHBondContact O-CG1 3.5Å; K51-I55 PolarHBondContact O-N 2.9Å
52	L	88.5	Confident	73.5	Confident	127 Å²	127	103.7 Å²	103.7	67%	0.665	56%	0.556	S	S	*	*	H	α-helix	trans	-67.1	-37.9	178	-73.8	169.4	0	0	0	112.2	A48 A49 G54 I55	A48-L52 WeakPolarHBondContact O-CG 3.43Å; A48-L52 PolarHBondContact O-N 2.99Å; A49-L52 PolarHBondContact O-N 3.38Å; A49-L52 VanDerWaalsContact O-N 3.1Å; L52-G54 VanDerWaalsContact C-N 3.33Å; L52-I55 PolarHBondContact O-N 2.95Å
53	I	84.1	Confident	70.7	Confident	141 Å²	141	103.7 Å²	103.7	72%	0.723	56%	0.562	S	S	*	*	H	α-helix	trans	-68.5	-35.5	177.3	-64.3	164.4	0	0	0	110.9	A49 D50 I55	A49-I53 WeakPolarHBondContact O-CG1 3.47Å; A49-I53 PolarHBondContact O-N 2.88Å; D50-I53 PolarHBondContact O-N 3.21Å; I53-I55 VanDerWaalsContact C-N 3.31Å; I53-I55 PolarHBondContact O-N 3.18Å
54	G	68.6	Low	67.6	Low	61 Å²	61	108.1 Å²	108.1	63%	0.629	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-6.8	179.2	0	0	0	0	0	115.4	D50 K51 L52 P56	D50-G54 PolarHBondContact O-N 3.38Å; D50-G54 VanDerWaalsContact O-N 3.07Å; K51-G54 PolarHBondContact O-N 3.23Å; L52-G54 VanDerWaalsContact C-N 3.33Å; G54-P56 VanDerWaalsContact O-CD 3.29Å; G54-P56 WeakPolarHBondContact O-CD 3.49Å
55	I	63.3	Low	64.5	Low	104 Å²	104	117.7 Å²	117.7	53%	0.533	62%	0.62	S	S	.	*	S	Bend	trans	-87.1	110	174.8	-67.8	159.9	0	0	0	107.2	K51 L52 I53 S57	K51-I55 WeakPolarHBondContact O-CD1 3.46Å; K51-I55 VanDerWaalsContact O-CG1 3.24Å; K51-I55 WeakPolarHBondContact O-CG1 3.5Å; K51-I55 PolarHBondContact O-N 2.9Å; L52-I55 PolarHBondContact O-N 2.95Å; I53-I55 VanDerWaalsContact C-N 3.31Å; I53-I55 PolarHBondContact O-N 3.18Å; I55-S57 PolarHBondContact O-N 3.44Å
56	P	55.8	Low	61.5	Low	88 Å²	88	123.3 Å²	123.3	57%	0.571	64%	0.64	S	S	*	*			trans	-56.4	133	170.7	23.6	-30.9	0	0	0	107.8	G54 I58	G54-P56 VanDerWaalsContact O-CD 3.29Å; G54-P56 WeakPolarHBondContact O-CD 3.49Å; P56-I58 HydrophobicContact CB-CD1 4.19Å; P56-I58 HydrophobicContact CB-CG1 4.2Å; P56-I58 HydrophobicContact CG-CD1 3.97Å; P56-I58 HydrophobicContact CG-CG1 4.4Å; P56-I58 PolarHBondContact O-N 3.29Å
57	S	52.4	Low	58.8	Low	128 Å²	128	121.7 Å²	121.7	90%	0.895	65%	0.646	S	S	*	*			trans	-64.7	69.4	-178.3	-173.1	0	0	0	0	111	I55	I55-S57 PolarHBondContact O-N 3.44Å
58	I	44.8	Very low	55.7	Low	131 Å²	131	124.3 Å²	124.3	67%	0.672	67%	0.666	S	S	*	*			trans	-108.7	72.9	174.1	-51.8	168.9	0	0	0	104.5	P56	P56-I58 HydrophobicContact CB-CD1 4.19Å; P56-I58 HydrophobicContact CB-CG1 4.2Å; P56-I58 HydrophobicContact CG-CD1 3.97Å; P56-I58 HydrophobicContact CG-CG1 4.4Å; P56-I58 PolarHBondContact O-N 3.29Å
59	N	40.8	Very low	53.1	Low	117 Å²	117	129.9 Å²	129.9	63%	0.626	70%	0.699	S	S	*	*			trans	-157.9	77.2	161.6	-83.3	-31.8	0	0	0	107.6	Y61	N59-Y61 HydrophobicContact CB-CD2 4.28Å; N59-Y61 HydrophobicContact CB-CE2 4.05Å; N59-Y61 PolarHBondContact O-N 3.46Å
60	N	34.2	Very low	50.2	Low	156 Å²	156	134.7 Å²	134.7	83%	0.834	72%	0.718	S	S	*	*			trans	-54.6	96.5	144.9	-74.7	-20.4	0	0	0	106.5	T62	N60-T62 PolarHBondContact O-N 2.92Å
61	Y	38	Very low	47.7	Very low	198 Å²	198	137.9 Å²	137.9	78%	0.776	74%	0.735	S	S	*	*			trans	-66.9	95	157.5	-77.7	-82.8	0	0	0	106.2	N59 T63	N59-Y61 HydrophobicContact CB-CD2 4.28Å; N59-Y61 HydrophobicContact CB-CE2 4.05Å; N59-Y61 PolarHBondContact O-N 3.46Å; Y61-T63 PolarHBondContact O-N 3.3Å
62	T	30.8	Very low	44.9	Very low	128 Å²	128	140.9 Å²	140.9	79%	0.785	75%	0.75	S	S	*	*			trans	-63.8	81.7	164.7	48.7	0	0	0	0	108.4	N60	N60-T62 PolarHBondContact O-N 2.92Å
63	T	37.6	Very low	42.5	Very low	124 Å²	124	141.4 Å²	141.4	76%	0.761	75%	0.752	S	S	*	*			trans	-77	115.6	140.5	40.5	0	0	0	0	106.1	Y61 Y65	Y61-T63 PolarHBondContact O-N 3.3Å; T63-Y65 PolarHBondContact O-N 3.25Å
64	E	30.9	Very low	40	Very low	194 Å²	194	142.1 Å²	142.1	91%	0.907	76%	0.757	S	S	*	*			trans	-41.7	98.4	175.6	-63.1	168.4	160.9	0	0	111.5
65	Y	33.2	Very low	38.5	Very low	207 Å²	207	144.5 Å²	144.5	81%	0.812	76%	0.76	S	S	*	*			trans	-128.4	98.1	162.7	-143.9	-92.6	0	0	0	107.3	T63 S67	T63-Y65 PolarHBondContact O-N 3.25Å; Y65-S67 PolarHBondContact O-N 3.06Å
66	K	32.4	Very low	37.3	Very low	206 Å²	206	147.5 Å²	147.5	90%	0.896	77%	0.772	S	S	*	*			trans	-63.1	99	167.1	-69.9	-175.2	175.7	-176	0	107.3
67	S	38.5	Very low	36.3	Very low	100 Å²	100	149.3 Å²	149.3	70%	0.699	78%	0.783	S	S	*	*			trans	-118.3	102.6	159.6	47.9	0	0	0	0	107	Y65	Y65-S67 PolarHBondContact O-N 3.06Å
68	D	29.2	Very low	35.4	Very low	150 Å²	150	152.5 Å²	152.5	80%	0.802	78%	0.777	S	S	*	*			trans	-61.8	156.2	168.7	-85.5	-44.1	0	0	0	110.3
69	T	41.2	Very low	35	Very low	132 Å²	132	152.3 Å²	152.3	81%	0.81	77%	0.773	S	S	*	*			trans	79.1	91.1	167.8	45.1	0	0	0	0	119.3
70	L	32.4	Very low	34.7	Very low	146 Å²	146	154.6 Å²	154.6	76%	0.764	78%	0.78	S	S	*	*				22.7	113.8	116.1	-101.6	126.6	0	0	0	117.2
71	N	36.4	Very low	35.2	Very low	151 Å²	151	153.9 Å²	153.9	81%	0.807	78%	0.776	S	S	*	*				-145.8	113.1	126.6	-91.7	-35.2	0	0	0	109.4	I73	N71-I73 PolarHBondContact O-N 2.63Å
72	H	30.9	Very low	35.1	Very low	170 Å²	170	151.7 Å²	151.7	79%	0.787	77%	0.773	S	S	*	*			trans	-57.4	112.9	158.4	-86.2	-10.5	0	0	0	108.6
73	I	36.4	Very low	35.5	Very low	137 Å²	137	154.9 Å²	154.9	70%	0.703	78%	0.777	S	S	*	*			trans	-111.1	96.4	163.8	-49.9	-179.6	0	0	0	106.7	N71 T75	N71-I73 PolarHBondContact O-N 2.63Å; I73-T75 HydrophobicContact CG2-CG2 4.37Å; I73-T75 WeakPolarHBondContact CG2-OG1 3.47Å; I73-T75 PolarHBondContact O-N 3.49Å
74	N	31.6	Very low	35.2	Very low	156 Å²	156	156.9 Å²	156.9	83%	0.834	78%	0.782	S	S	*	*			trans	-69.9	103.5	158.9	-77.3	-26.1	0	0	0	107.7
75	T	38.8	Very low	35.1	Very low	112 Å²	112	150.7 Å²	150.7	69%	0.687	77%	0.771	S	S	*	*			trans	-148.3	105.8	162.5	32.9	0	0	0	0	109.7	I73	I73-T75 HydrophobicContact CG2-CG2 4.37Å; I73-T75 WeakPolarHBondContact CG2-OG1 3.47Å; I73-T75 PolarHBondContact O-N 3.49Å
76	E	36.6	Very low	34.9	Very low	167 Å²	167	149 Å²	149	78%	0.78	77%	0.77	S	S	*	*			trans	39.9	129.5	149.1	-68.6	-69.6	140.3	0	0	120.6	Y78	E76-Y78 VanDerWaalsContact C-N 3.33Å; E76-Y78 PolarHBondContact O-N 3.22Å
77	P	34.6	Very low	35.2	Very low	125 Å²	125	146.9 Å²	146.9	81%	0.812	77%	0.768	S	S	*	*			trans	-81.1	78.3	173.8	35.8	-30.5	0	0	0	109.7	E79	P77-E79 PolarHBondContact O-N 2.79Å
78	Y	33.8	Very low	34.9	Very low	195 Å²	195	150 Å²	150	77%	0.765	78%	0.777	S	S	*	*			trans	-88.8	110	176	-154.1	-99.6	0	0	0	111	E76	E76-Y78 VanDerWaalsContact C-N 3.33Å; E76-Y78 PolarHBondContact O-N 3.22Å
79	E	36.5	Very low	35.2	Very low	127 Å²	127	146.8 Å²	146.8	59%	0.593	77%	0.766	S	S	*	*			trans	75.2	81.9	163.8	-66.2	-178.6	-179.3	0	0	118.3	P77 N81	P77-E79 PolarHBondContact O-N 2.79Å; E79-N81 PolarHBondContact O-N 3.46Å
80	Q	35.7	Very low	35	Very low	165 Å²	165	146.5 Å²	146.5	77%	0.771	77%	0.765	S	S	*	*			trans	-36.2	103.9	133.4	-79.2	175.1	-26.4	0	0	110.8	Q82	Q80-Q82 HydrophobicContact CB-CG 4.31Å; Q80-Q82 PolarHBondContact O-N 3.08Å
81	N	43.1	Very low	35.5	Very low	141 Å²	141	147.3 Å²	147.3	75%	0.754	77%	0.768	S	S	*	*			trans	-68.3	85.1	156	-84.3	-70.6	0	0	0	108.1	E79 F83	E79-N81 PolarHBondContact O-N 3.46Å; N81-F83 VanDerWaalsContact C-N 3.32Å; N81-F83 PolarHBondContact O-N 2.88Å
82	Q	37.5	Very low	35.9	Very low	152 Å²	152	146.8 Å²	146.8	71%	0.71	77%	0.765	S	S	*	*			trans	-61.2	91.3	163.6	-68.7	179.7	14.6	0	0	108.9	Q80 L84	Q80-Q82 HydrophobicContact CB-CG 4.31Å; Q80-Q82 PolarHBondContact O-N 3.08Å; Q82-L84 VanDerWaalsContact C-N 3.26Å
83	F	37.8	Very low	36.6	Very low	196 Å²	196	147.8 Å²	147.8	86%	0.86	77%	0.767	S	S	*	*			trans	-95.4	60.8	154.8	-98.6	-83.5	0	0	0	109	N81	N81-F83 VanDerWaalsContact C-N 3.32Å; N81-F83 PolarHBondContact O-N 2.88Å
84	L	32.1	Very low	37.6	Very low	165 Å²	165	145.7 Å²	145.7	86%	0.864	76%	0.761	S	S	*	*			trans	-156.7	106.4	166.5	-152.2	74.5	0	0	0	110	Q82	Q82-L84 VanDerWaalsContact C-N 3.26Å
85	G	28.8	Very low	39	Very low	65 Å²	65	147.3 Å²	147.3	67%	0.67	76%	0.76	S	S	*	*	S	Bend	trans	130.4	106.1	162.6	0	0	0	0	0	115.4
86	H	29	Very low	40.7	Very low	172 Å²	172	150.3 Å²	150.3	80%	0.796	76%	0.76	S	S	*	*			trans	58.2	105.7	150	-79.3	54.5	0	0	0	118.4
87	N	38.1	Very low	42.7	Very low	160 Å²	160	146.1 Å²	146.1	86%	0.856	75%	0.746	S	S	*	*			trans	-146	76.6	140.1	-85.4	-36.8	0	0	0	109.9	S89	N87-S89 PolarHBondContact O-N 3.43Å
88	N	31.5	Very low	45.2	Very low	165 Å²	165	149.2 Å²	149.2	88%	0.882	75%	0.747	S	S	*	*			trans	-70.2	89.7	143.8	-79.5	-21.7	0	0	0	106.7
89	S	35.8	Very low	47.6	Very low	83 Å²	83	143.2 Å²	143.2	58%	0.58	74%	0.737	S	S	*	*	S	Bend	trans	-172.6	122.9	159.4	-175.4	0	0	0	0	109.6	N87	N87-S89 PolarHBondContact O-N 3.43Å
90	T	38.2	Very low	49.9	Very low	127 Å²	127	139.1 Å²	139.1	78%	0.779	72%	0.723	S	S	*	*			trans	45.9	74.6	160.9	39.7	0	0	0	0	116.3	D92	T90-D92 PolarHBondContact O-N 3.26Å
91	I	42.7	Very low	52.4	Low	163 Å²	163	136 Å²	136	84%	0.836	71%	0.711	S	S	*	*			trans	-66.6	84.5	147.7	-60.4	172.7	0	0	0	105.9	K93	I91-K93 PolarHBondContact O-N 3.43Å
92	D	43.6	Very low	54.7	Low	139 Å²	139	132.1 Å²	132.1	74%	0.743	69%	0.688	S	S	*	*			trans	-53.6	123.2	157.4	-136.4	-11	0	0	0	105.8	T90 V94	T90-D92 PolarHBondContact O-N 3.26Å; D92-V94 PolarHBondContact O-N 3.35Å
93	K	46.9	Very low	57.2	Low	191 Å²	191	131.5 Å²	131.5	83%	0.83	69%	0.685	S	S	*	*			trans	-70.3	72.1	-176.4	-72.8	176.7	178.4	172.6	0	108.6	I91 K95	I91-K93 PolarHBondContact O-N 3.43Å; K93-K95 PolarHBondContact O-N 3.01Å
94	V	57	Low	59.7	Low	94 Å²	94	129.1 Å²	129.1	57%	0.57	67%	0.671	S	S	*	*			trans	-61.1	103.7	167.9	-178.8	0	0	0	0	105.5	D92 Y96	D92-V94 PolarHBondContact O-N 3.35Å; V94-Y96 VanDerWaalsContact C-N 3.3Å; V94-Y96 VanDerWaalsContact O-CD2 3.26Å; V94-Y96 WeakPolarHBondContact O-CD2 3.27Å; V94-Y96 PolarHBondContact O-N 2.9Å
95	K	61.1	Low	62.7	Low	190 Å²	190	126.3 Å²	126.3	83%	0.826	65%	0.649	S	S	*	*			trans	-62.9	96.9	174.7	-79	-179.3	176.6	176.9	0	107.2	K93 T97	K93-K95 PolarHBondContact O-N 3.01Å; K95-T97 PolarHBondContact O-N 3.49Å; K95-T97 VanDerWaalsContact O-N 3.12Å
96	Y	73.7	Confident	65.6	Low	174 Å²	174	129.6 Å²	129.6	68%	0.682	64%	0.641	S	S	*	*			trans	-59.5	116.3	172.7	-63.1	-78.2	0	0	0	108.6	V94	V94-Y96 VanDerWaalsContact C-N 3.3Å; V94-Y96 VanDerWaalsContact O-CD2 3.26Å; V94-Y96 WeakPolarHBondContact O-CD2 3.27Å; V94-Y96 PolarHBondContact O-N 2.9Å
97	T	80.2	Confident	68.7	Low	79 Å²	79	129.1 Å²	129.1	49%	0.485	63%	0.632	S	S	.	*			trans	-84.8	155.3	173.5	63.5	0	0	0	0	108.3	K95 A99 S100 I101	K95-T97 PolarHBondContact O-N 3.49Å; K95-T97 VanDerWaalsContact O-N 3.12Å; T97-A99 PolarHBondContact O-N 3.32Å; T97-A99 VanDerWaalsContact O-N 3.14Å; T97-S100 PolarHBondContact N-OG 2.95Å; T97-S100 VanDerWaalsContact N-OG 3.07Å; T97-S100 PolarHBondContact O-N 3.03Å; T97-S100 PolarHBondContact O-OG 3Å; T97-S100 PolarHBondContact OG1-N 3.5Å; T97-S100 VanDerWaalsContact OG1-N 3.14Å; T97-S100 PolarHBondContact OG1-OG 3.36Å; T97-I101 WeakPolarHBondContact O-CG1 3.3Å; T97-I101 PolarHBondContact O-N 2.81Å
98	K	86.4	Confident	71.1	Confident	191 Å²	191	125.6 Å²	125.6	83%	0.83	61%	0.613	S	S	*	*	H	α-helix	trans	-53.7	-35.6	173.3	-72	-175.8	178.9	179.1	0	111.6	E102	K98-E102 VanDerWaalsContact O-CB 3.27Å; K98-E102 WeakPolarHBondContact O-CB 3.36Å; K98-E102 PolarHBondContact O-N 2.85Å
99	A	84.3	Confident	73.9	Confident	68 Å²	68	122.6 Å²	122.6	56%	0.562	59%	0.594	S	S	*	*	H	α-helix	trans	-64.3	-44.8	176.3	0	0	0	0	0	112.4	T97 E102 Q103	T97-A99 PolarHBondContact O-N 3.32Å; T97-A99 VanDerWaalsContact O-N 3.14Å; A99-E102 PolarHBondContact O-N 3.49Å; A99-Q103 VanDerWaalsContact O-CB 3.29Å; A99-Q103 WeakPolarHBondContact O-CB 3.26Å; A99-Q103 PolarHBondContact O-N 3.05Å
100	S	84.9	Confident	76.5	Confident	41 Å²	41	125.5 Å²	125.5	29%	0.287	59%	0.592	S	S	.	*	H	α-helix	trans	-68.7	-37.5	179.8	68	0	0	0	0	112.4	T97 Q103 Y104	T97-S100 PolarHBondContact N-OG 2.95Å; T97-S100 VanDerWaalsContact N-OG 3.07Å; T97-S100 PolarHBondContact O-N 3.03Å; T97-S100 PolarHBondContact O-OG 3Å; T97-S100 PolarHBondContact OG1-N 3.5Å; T97-S100 VanDerWaalsContact OG1-N 3.14Å; T97-S100 PolarHBondContact OG1-OG 3.36Å; S100-Q103 PolarHBondContact O-N 3.26Å; S100-Y104 WeakPolarHBondContact O-CB 3.47Å; S100-Y104 PolarHBondContact O-N 3.43Å
101	I	88.4	Confident	79	Confident	101 Å²	101	123.8 Å²	123.8	52%	0.518	58%	0.577	S	S	.	*	H	α-helix	trans	-63	-46.9	174	-62.9	170.3	0	0	0	110.3	T97 Y104 R105	T97-I101 WeakPolarHBondContact O-CG1 3.3Å; T97-I101 PolarHBondContact O-N 2.81Å; I101-Y104 PolarHBondContact O-N 3.03Å; I101-R105 PolarHBondContact O-N 3.49Å
102	E	91.1	Very high	81	Confident	59 Å²	59	120 Å²	120	28%	0.276	56%	0.556	S	S	.	*	H	α-helix	trans	-66.4	-38.9	179.6	179	56.4	-157.4	0	0	112.2	K98 A99 Y104 R105 R106	K98-E102 VanDerWaalsContact O-CB 3.27Å; K98-E102 WeakPolarHBondContact O-CB 3.36Å; K98-E102 PolarHBondContact O-N 2.85Å; A99-E102 PolarHBondContact O-N 3.49Å; E102-Y104 VanDerWaalsContact C-N 3.31Å; E102-Y104 PolarHBondContact O-N 3.38Å; E102-R105 WeakPolarHBondContact O-CB 3.42Å; E102-R105 PolarHBondContact O-N 3.46Å; E102-R105 IonicContact OE1-CZ 2.75Å; E102-R105 IonicContact OE1-NE 3.47Å; E102-R105 PolarHBondContact OE1-NE 3.07Å; E102-R105 IonicContact OE1-NH2 3.86Å; E102-R105 PolarHBondContact OE1-NH2 3.02Å; E102-R105 IonicContact OE2-CZ 3.61Å; E102-R105 IonicContact OE2-NE 2.63Å; E102-R105 PolarHBondContact OE2-NE 3.14Å; E102-R105 IonicContact OE2-NH2 2.9Å; E102-R106 WeakPolarHBondContact O-CG 3.37Å; E102-R106 PolarHBondContact O-N 3.04Å; E102-R106 IonicContact OE1-CZ 3.06Å; E102-R106 IonicContact OE1-NE 3.86Å; E102-R106 PolarHBondContact OE1-NE 2.98Å; E102-R106 IonicContact OE1-NH2 3.72Å
103	Q	89	Confident	83.1	Confident	138 Å²	138	119.7 Å²	119.7	65%	0.645	55%	0.545	S	S	*	.	H	α-helix	trans	-61.6	-41.7	174.8	-174.1	-179.4	-5.7	0	0	111.3	A99 S100 R107	A99-Q103 VanDerWaalsContact O-CB 3.29Å; A99-Q103 WeakPolarHBondContact O-CB 3.26Å; A99-Q103 PolarHBondContact O-N 3.05Å; S100-Q103 PolarHBondContact O-N 3.26Å; Q103-R107 PolarHBondContact O-N 3.07Å
104	Y	91.7	Very high	85	Confident	147 Å²	147	115.1 Å²	115.1	58%	0.576	53%	0.53	S	S	*	.	H	α-helix	trans	-65.5	-43.5	175.5	-170.7	-104.1	0	0	0	111.7	S100 I101 E102 R106 R107 L108	S100-Y104 WeakPolarHBondContact O-CB 3.47Å; S100-Y104 PolarHBondContact O-N 3.43Å; I101-Y104 PolarHBondContact O-N 3.03Å; E102-Y104 VanDerWaalsContact C-N 3.31Å; E102-Y104 PolarHBondContact O-N 3.38Å; Y104-R106 PolarHBondContact O-N 3.37Å; Y104-R107 WeakPolarHBondContact O-CB 3.43Å; Y104-R107 PolarHBondContact O-N 2.8Å; Y104-R107 VanDerWaalsContact O-N 3.14Å; Y104-L108 HydrophobicContact CD1-CD1 4.02Å; Y104-L108 HydrophobicContact CD1-CG 4.45Å; Y104-L108 HydrophobicContact CE1-CD1 3.6Å; Y104-L108 HydrophobicContact CE1-CG 4.11Å; Y104-L108 PolarHBondContact O-N 3.35Å
105	R	94.1	Very high	86.3	Confident	105 Å²	105	118.2 Å²	118.2	40%	0.396	53%	0.531	S	S	.	.	H	α-helix	trans	-55.9	-49.5	175	-166.1	-168.7	71.9	68.9	14.7	111.7	I101 E102 R107 L108 E109	I101-R105 PolarHBondContact O-N 3.49Å; E102-R105 WeakPolarHBondContact O-CB 3.42Å; E102-R105 PolarHBondContact O-N 3.46Å; E102-R105 IonicContact OE1-CZ 2.75Å; E102-R105 IonicContact OE1-NE 3.47Å; E102-R105 PolarHBondContact OE1-NE 3.07Å; E102-R105 IonicContact OE1-NH2 3.86Å; E102-R105 PolarHBondContact OE1-NH2 3.02Å; E102-R105 IonicContact OE2-CZ 3.61Å; E102-R105 IonicContact OE2-NE 2.63Å; E102-R105 PolarHBondContact OE2-NE 3.14Å; E102-R105 IonicContact OE2-NH2 2.9Å; R105-R107 VanDerWaalsContact C-N 3.3Å; R105-R107 PolarHBondContact O-N 3.03Å; R105-L108 PolarHBondContact O-N 3.34Å; R105-E109 IonicContact CZ-OE1 2.8Å; R105-E109 IonicContact CZ-OE2 3.37Å; R105-E109 IonicContact NH1-OE1 3.29Å; R105-E109 PolarHBondContact NH1-OE1 3.29Å; R105-E109 IonicContact NH1-OE2 2.78Å; R105-E109 PolarHBondContact NH1-OE2 2.75Å; R105-E109 IonicContact NH2-OE2 3.48Å; R105-E109 PolarHBondContact NH2-OE2 3.47Å; R105-E109 PolarHBondContact O-N 2.89Å; R105-E109 VanDerWaalsContact O-N 3.08Å
106	R	90.8	Very high	87.5	Confident	135 Å²	135	113.1 Å²	113.1	51%	0.509	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-33.6	177.1	-69.4	177.4	-169.8	-175.4	-0.7	113	E102 Y104 E109 R110	E102-R106 WeakPolarHBondContact O-CG 3.37Å; E102-R106 PolarHBondContact O-N 3.04Å; E102-R106 IonicContact OE1-CZ 3.06Å; E102-R106 IonicContact OE1-NE 3.86Å; E102-R106 PolarHBondContact OE1-NE 2.98Å; E102-R106 IonicContact OE1-NH2 3.72Å; Y104-R106 PolarHBondContact O-N 3.37Å; R106-E109 PolarHBondContact O-N 2.78Å; R106-R110 PolarHBondContact O-N 3.28Å
107	R	92.7	Very high	87.9	Confident	161 Å²	161	108.5 Å²	108.5	61%	0.608	50%	0.497	S	S	*	.	H	α-helix	trans	-65.4	-43.8	175.9	-177.2	177	175	154.7	-1.1	111	Q103 Y104 R105 R110 I111	Q103-R107 PolarHBondContact O-N 3.07Å; Y104-R107 WeakPolarHBondContact O-CB 3.43Å; Y104-R107 PolarHBondContact O-N 2.8Å; Y104-R107 VanDerWaalsContact O-N 3.14Å; R105-R107 VanDerWaalsContact C-N 3.3Å; R105-R107 PolarHBondContact O-N 3.03Å; R107-R110 PolarHBondContact O-N 3.3Å; R107-I111 HydrophobicContact CG-CD1 4.11Å; R107-I111 WeakPolarHBondContact O-CG1 3.46Å; R107-I111 PolarHBondContact O-N 2.89Å
108	L	89.9	Confident	87.9	Confident	87 Å²	87	109.5 Å²	109.5	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-63.6	-40.9	175.7	-68.3	176.4	0	0	0	112	Y104 R105 R110 I111 E112	Y104-L108 HydrophobicContact CD1-CD1 4.02Å; Y104-L108 HydrophobicContact CD1-CG 4.45Å; Y104-L108 HydrophobicContact CE1-CD1 3.6Å; Y104-L108 HydrophobicContact CE1-CG 4.11Å; Y104-L108 PolarHBondContact O-N 3.35Å; R105-L108 PolarHBondContact O-N 3.34Å; L108-R110 PolarHBondContact O-N 3.45Å; L108-I111 PolarHBondContact O-N 2.89Å; L108-E112 PolarHBondContact O-N 3.22Å
109	E	89.7	Confident	87.5	Confident	102 Å²	102	109 Å²	109	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-61	-42.5	175.4	-73.2	-179.4	147.5	0	0	112.4	R105 R106 E112 Y113	R105-E109 IonicContact CZ-OE1 2.8Å; R105-E109 IonicContact CZ-OE2 3.37Å; R105-E109 IonicContact NH1-OE1 3.29Å; R105-E109 PolarHBondContact NH1-OE1 3.29Å; R105-E109 IonicContact NH1-OE2 2.78Å; R105-E109 PolarHBondContact NH1-OE2 2.75Å; R105-E109 IonicContact NH2-OE2 3.48Å; R105-E109 PolarHBondContact NH2-OE2 3.47Å; R105-E109 PolarHBondContact O-N 2.89Å; R105-E109 VanDerWaalsContact O-N 3.08Å; R106-E109 PolarHBondContact O-N 2.78Å; E109-E112 PolarHBondContact O-N 3.14Å; E109-Y113 WeakPolarHBondContact O-CB 3.09Å; E109-Y113 PolarHBondContact O-N 2.84Å
110	R	91	Very high	87.3	Confident	144 Å²	144	111.5 Å²	111.5	54%	0.543	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-46.1	175.3	-80	-172.1	-71.4	-114.6	-0.3	112.1	R106 R107 L108 E112 Y113 D114	R106-R110 PolarHBondContact O-N 3.28Å; R107-R110 PolarHBondContact O-N 3.3Å; L108-R110 PolarHBondContact O-N 3.45Å; R110-E112 VanDerWaalsContact C-N 3.29Å; R110-E112 PolarHBondContact O-N 2.91Å; R110-Y113 PolarHBondContact O-N 2.89Å; R110-D114 WeakPolarHBondContact O-CB 3.24Å; R110-D114 PolarHBondContact O-N 3.31Å
111	I	89.1	Confident	86	Confident	91 Å²	91	111 Å²	111	47%	0.467	51%	0.51	S	S	.	.	H	α-helix	trans	-58.4	-44.3	178.5	-69.2	165.1	0	0	0	110.7	R107 L108 R115	R107-I111 HydrophobicContact CG-CD1 4.11Å; R107-I111 WeakPolarHBondContact O-CG1 3.46Å; R107-I111 PolarHBondContact O-N 2.89Å; L108-I111 PolarHBondContact O-N 2.89Å; I111-R115 VanDerWaalsContact O-CB 3.25Å; I111-R115 WeakPolarHBondContact O-CB 3.47Å; I111-R115 PolarHBondContact O-N 2.69Å
112	E	84.6	Confident	84.2	Confident	83 Å²	83	109.9 Å²	109.9	39%	0.388	52%	0.523	S	S	.	.	H	α-helix	trans	-70.6	-39.1	179.6	-171	64.3	-175.9	0	0	112	L108 E109 R110 R115 I116	L108-E112 PolarHBondContact O-N 3.22Å; E109-E112 PolarHBondContact O-N 3.14Å; R110-E112 VanDerWaalsContact C-N 3.29Å; R110-E112 PolarHBondContact O-N 2.91Å; E112-R115 PolarHBondContact O-N 3.21Å; E112-R115 IonicContact OE1-CZ 3.91Å; E112-R115 IonicContact OE1-NH1 2.76Å; E112-R115 PolarHBondContact OE1-NH1 3.23Å; E112-R115 IonicContact OE2-CZ 3.66Å; E112-R115 IonicContact OE2-NH1 3.55Å; E112-R115 PolarHBondContact OE2-NH1 3.12Å; E112-I116 HydrophobicContact CG-CD1 4.08Å; E112-I116 VanDerWaalsContact O-CG1 3.28Å; E112-I116 WeakPolarHBondContact O-CG1 2.9Å; E112-I116 PolarHBondContact O-N 3.08Å
113	Y	89	Confident	82.1	Confident	133 Å²	133	115.4 Å²	115.4	52%	0.522	55%	0.549	S	S	.	.	H	α-helix	trans	-59.7	-50.5	173.5	177.7	-94.8	0	0	0	111.4	E109 R110 R115 I116 H117	E109-Y113 WeakPolarHBondContact O-CB 3.09Å; E109-Y113 PolarHBondContact O-N 2.84Å; R110-Y113 PolarHBondContact O-N 2.89Å; Y113-R115 VanDerWaalsContact C-N 3.29Å; Y113-R115 PolarHBondContact O-N 3.3Å; Y113-I116 PolarHBondContact O-N 3.11Å; Y113-H117 HydrophobicContact CE1-CB 4.46Å; Y113-H117 AromaticContact CE1-CD2 3.68Å; Y113-H117 AromaticContact CZ-CD2 3.63Å; Y113-H117 VanDerWaalsContact O-CB 3.28Å; Y113-H117 WeakPolarHBondContact O-CB 3.37Å; Y113-H117 PolarHBondContact O-N 3.44Å; Y113-H117 PolarHBondContact OH-CD2 2.91Å
114	D	85.4	Confident	80.2	Confident	95 Å²	95	118.4 Å²	118.4	51%	0.508	56%	0.56	S	S	.	*	H	α-helix	trans	-62.3	-39.4	179.9	-66.2	-21.3	0	0	0	111	R110 H117 S118	R110-D114 WeakPolarHBondContact O-CB 3.24Å; R110-D114 PolarHBondContact O-N 3.31Å; D114-H117 PolarHBondContact O-N 2.64Å; D114-S118 VanDerWaalsContact O-CB 3.24Å; D114-S118 WeakPolarHBondContact O-CB 3.2Å; D114-S118 PolarHBondContact O-N 3.25Å
115	R	86.2	Confident	77.9	Confident	158 Å²	158	116.3 Å²	116.3	60%	0.596	56%	0.562	S	S	*	*	H	α-helix	trans	-61.4	-48	174.4	178.2	-179.9	157.7	-115.7	-11.9	111.8	I111 E112 Y113 H117 F119	I111-R115 VanDerWaalsContact O-CB 3.25Å; I111-R115 WeakPolarHBondContact O-CB 3.47Å; I111-R115 PolarHBondContact O-N 2.69Å; E112-R115 PolarHBondContact O-N 3.21Å; E112-R115 IonicContact OE1-CZ 3.91Å; E112-R115 IonicContact OE1-NH1 2.76Å; E112-R115 PolarHBondContact OE1-NH1 3.23Å; E112-R115 IonicContact OE2-CZ 3.66Å; E112-R115 IonicContact OE2-NH1 3.55Å; E112-R115 PolarHBondContact OE2-NH1 3.12Å; Y113-R115 VanDerWaalsContact C-N 3.29Å; Y113-R115 PolarHBondContact O-N 3.3Å; R115-H117 VanDerWaalsContact C-N 3.34Å; R115-F119 WeakPolarHBondContact O-CB 3.35Å; R115-F119 PolarHBondContact O-N 2.89Å
116	I	84.7	Confident	75.2	Confident	83 Å²	83	118.2 Å²	118.2	43%	0.426	58%	0.58	S	S	.	*	H	α-helix	trans	-64.3	-43	177.4	-69.3	167.3	0	0	0	110.2	E112 Y113 F119 L120	E112-I116 HydrophobicContact CG-CD1 4.08Å; E112-I116 VanDerWaalsContact O-CG1 3.28Å; E112-I116 WeakPolarHBondContact O-CG1 2.9Å; E112-I116 PolarHBondContact O-N 3.08Å; Y113-I116 PolarHBondContact O-N 3.11Å; I116-F119 PolarHBondContact O-N 2.96Å; I116-L120 HydrophobicContact CG2-CD1 3.63Å; I116-L120 HydrophobicContact CG2-CG 4.25Å; I116-L120 WeakPolarHBondContact O-CB 3.43Å; I116-L120 WeakPolarHBondContact O-CG 3.38Å; I116-L120 PolarHBondContact O-N 3.27Å
117	H	83	Confident	72.9	Confident	77 Å²	77	120.2 Å²	120.2	36%	0.356	59%	0.593	S	S	.	*	H	α-helix	trans	-68.1	-38.7	-176.8	-155.7	-20.3	0	0	0	112.1	Y113 D114 R115 F119	Y113-H117 HydrophobicContact CE1-CB 4.46Å; Y113-H117 AromaticContact CE1-CD2 3.68Å; Y113-H117 AromaticContact CZ-CD2 3.63Å; Y113-H117 VanDerWaalsContact O-CB 3.28Å; Y113-H117 WeakPolarHBondContact O-CB 3.37Å; Y113-H117 PolarHBondContact O-N 3.44Å; Y113-H117 PolarHBondContact OH-CD2 2.91Å; D114-H117 PolarHBondContact O-N 2.64Å; R115-H117 VanDerWaalsContact C-N 3.34Å; H117-F119 VanDerWaalsContact C-N 3.34Å
118	S	80	Confident	70.5	Confident	100 Å²	100	119.5 Å²	119.5	70%	0.699	60%	0.6	S	S	*	*	H	α-helix	trans	-65.5	-38	172	-175.8	0	0	0	0	111.7	D114	D114-S118 VanDerWaalsContact O-CB 3.24Å; D114-S118 WeakPolarHBondContact O-CB 3.2Å; D114-S118 PolarHBondContact O-N 3.25Å
119	F	78.2	Confident	68.2	Low	182 Å²	182	120.9 Å²	120.9	80%	0.798	61%	0.606	S	S	*	*	H	α-helix	trans	-71.1	-37.7	-179.8	-175.8	-96.1	0	0	0	112.8	R115 I116 H117 G121	R115-F119 WeakPolarHBondContact O-CB 3.35Å; R115-F119 PolarHBondContact O-N 2.89Å; I116-F119 PolarHBondContact O-N 2.96Å; H117-F119 VanDerWaalsContact C-N 3.34Å; F119-G121 PolarHBondContact O-N 3.41Å
120	L	79.1	Confident	65.9	Low	120 Å²	120	123.8 Å²	123.8	63%	0.628	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-4.4	-180	-71.3	171.9	0	0	0	113.7	I116	I116-L120 HydrophobicContact CG2-CD1 3.63Å; I116-L120 HydrophobicContact CG2-CG 4.25Å; I116-L120 WeakPolarHBondContact O-CB 3.43Å; I116-L120 WeakPolarHBondContact O-CG 3.38Å; I116-L120 PolarHBondContact O-N 3.27Å
121	G	57.9	Low	63.3	Low	31 Å²	31	123.5 Å²	123.5	32%	0.32	63%	0.634	S	S	.	*			trans	71.2	137.4	-174.8	0	0	0	0	0	111	F119 E123	F119-G121 PolarHBondContact O-N 3.41Å; G121-E123 PolarHBondContact O-N 3.41Å
122	G	51	Low	60.9	Low	77 Å²	77	127.7 Å²	127.7	79%	0.794	65%	0.648	S	S	*	*	S	Bend	trans	-68	36.6	178.8	0	0	0	0	0	114.9	K124	G122-K124 PolarHBondContact O-N 3.05Å
123	E	46.7	Very low	58.6	Low	175 Å²	175	129.7 Å²	129.7	82%	0.818	66%	0.662	S	S	*	*	S	Bend	trans	-82.7	101.9	168.2	-72.4	-165	162.6	0	0	108.6	G121 V125	G121-E123 PolarHBondContact O-N 3.41Å; E123-V125 PolarHBondContact O-N 3.44Å
124	K	48.7	Very low	56.2	Low	200 Å²	200	128.1 Å²	128.1	87%	0.87	67%	0.67	S	S	*	*			trans	-5.6	85.7	166.2	-62.4	-177.5	-178.7	-180	0	113.1	G122 N126	G122-K124 PolarHBondContact O-N 3.05Å; K124-N126 VanDerWaalsContact C-N 3.26Å; K124-N126 PolarHBondContact O-N 3.49Å
125	V	43.8	Very low	54.1	Low	103 Å²	103	130.8 Å²	130.8	62%	0.624	69%	0.685	S	S	*	*			trans	-65.9	100.3	164.7	-177.1	0	0	0	0	104.3	E123 F127	E123-V125 PolarHBondContact O-N 3.44Å; V125-F127 VanDerWaalsContact C-N 3.3Å; V125-F127 PolarHBondContact O-N 2.87Å
126	N	37.9	Very low	51.8	Low	145 Å²	145	129.8 Å²	129.8	78%	0.775	70%	0.695	S	S	*	*			trans	-48.5	106.8	163.6	-100.2	-11.6	0	0	0	105.2	K124 I128	K124-N126 VanDerWaalsContact C-N 3.26Å; K124-N126 PolarHBondContact O-N 3.49Å; N126-I128 VanDerWaalsContact C-N 3.31Å; N126-I128 PolarHBondContact O-N 3.25Å
127	F	41.4	Very low	49.9	Very low	177 Å²	177	136.6 Å²	136.6	78%	0.776	73%	0.733	S	S	*	*			trans	-50.4	107.9	164.4	-115.7	-98.8	0	0	0	104.6	V125 I129	V125-F127 VanDerWaalsContact C-N 3.3Å; V125-F127 PolarHBondContact O-N 2.87Å; F127-I129 HydrophobicContact CB-CG1 4.01Å; F127-I129 HydrophobicContact CD1-CG1 4.5Å; F127-I129 PolarHBondContact O-N 3.18Å
128	I	42.8	Very low	48.2	Very low	147 Å²	147	139.6 Å²	139.6	75%	0.754	75%	0.752	S	S	*	*			trans	-65.8	84.3	154.8	-60.8	173.9	0	0	0	102.6	N126 L130	N126-I128 VanDerWaalsContact C-N 3.31Å; N126-I128 PolarHBondContact O-N 3.25Å; I128-L130 VanDerWaalsContact C-N 3.33Å; I128-L130 PolarHBondContact O-N 3.27Å
129	I	41.7	Very low	46.6	Very low	115 Å²	115	141.7 Å²	141.7	59%	0.59	75%	0.754	S	S	*	*			trans	-59.4	109.2	161.5	-53.6	-177.9	0	0	0	103	F127 D131	F127-I129 HydrophobicContact CB-CG1 4.01Å; F127-I129 HydrophobicContact CD1-CG1 4.5Å; F127-I129 PolarHBondContact O-N 3.18Å; I129-D131 HydrophobicContact CG2-CB 3.58Å; I129-D131 PolarHBondContact O-N 2.85Å
130	L	42.4	Very low	44.8	Very low	163 Å²	163	139.4 Å²	139.4	85%	0.853	75%	0.752	S	S	*	*			trans	-71.3	60.1	162.6	-74.3	163.9	0	0	0	107.9	I128	I128-L130 VanDerWaalsContact C-N 3.33Å; I128-L130 PolarHBondContact O-N 3.27Å
131	D	35.6	Very low	42.8	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	76%	0.759	S	S	*	*			trans	-120.8	86.9	163.5	-86.9	-26.4	0	0	0	107	I129	I129-D131 HydrophobicContact CG2-CB 3.58Å; I129-D131 PolarHBondContact O-N 2.85Å
132	K	38.7	Very low	41.8	Very low	179 Å²	179	147.4 Å²	147.4	78%	0.778	79%	0.787	S	S	*	*			trans	-161.8	120	160.3	-88.9	-153.4	171.8	-178.7	0	104.3
133	D	36.3	Very low	41.2	Very low	124 Å²	124	152.1 Å²	152.1	66%	0.663	79%	0.786	S	S	*	*			cis	-161.7	162.1	13.5	-76.6	-53	0	0	0	107.4
134	S	38.6	Very low	40.8	Very low	100 Å²	100	150.5 Å²	150.5	70%	0.699	78%	0.784	S	S	*	*			trans	68.2	122	147.3	30	0	0	0	0	118.3
135	D	41.3	Very low	40.2	Very low	152 Å²	152	146.7 Å²	146.7	81%	0.813	78%	0.778	S	S	*	*			cis	-149.2	132.9	33.2	-78.4	-45.9	0	0	0	113.5
136	V	38.4	Very low	39.9	Very low	136 Å²	136	150.3 Å²	150.3	82%	0.824	79%	0.79	S	S	*	*			trans	-95.2	103.3	150.1	171.1	0	0	0	0	106
137	N	44.3	Very low	40.1	Very low	227 Å²	227	150.8 Å²	150.8	100%	1.214	79%	0.792	S	S	*	*			trans	172.6	0	137.5	-91.9	-23.4	0	0	0	110.3

Retrieved 137 of 137 residues in 103.4 ms (Link to these results)

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