A0A5K4F809_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F809, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 115 aa.

						>A0A5K4F809_SCHMA|A0A5K4F809
MEWLWKLLNLVTTSNSNPNCQLQLDKLKKNYQIYKIANHLYQYLIESPGLIQFSSNYPQLNKSIPPFIINDHDDGGDSDNDNNEILKYLRNKMKQLKSLLDIHLIEEKINNYLTF
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.6	Low	67.1	Low	36 Å²	36	54.8 Å²	54.8	18%	0.177	25%	0.251	C	S	.	.				0	-10	0	-85.3	-68.2	-95.8	0	0	115.5	W3 L4 Y41 L44 I51 N61	M1-W3 PolarHBondContact O-N 2.97Å; M1-L4 HydrophobicContact CE-CD2 3.93Å; M1-L4 PolarHBondContact O-N 3.28Å; M1-L4 HydrophobicContact SD-CB 4.32Å; M1-Y41 HydrophobicContact CE-CD2 3.6Å; M1-Y41 HydrophobicContact CE-CE2 3.9Å; M1-L44 HydrophobicContact CE-CB 4.07Å; M1-L44 HydrophobicContact CE-CD1 3.63Å; M1-L44 HydrophobicContact SD-CD1 3.82Å; M1-I51 HydrophobicContact CE-CD1 4.21Å; M1-I51 HydrophobicContact CE-CG1 4.1Å; M1-I51 HydrophobicContact CG-CG1 4.27Å; M1-N61 PolarHBondContact N-OD1 3.5Å
2	E	66.3	Low	66.6	Low	147 Å²	147	56.4 Å²	56.4	69%	0.687	27%	0.268	S	S	*	.	H	α-helix	trans	-53.4	-31.8	-179.5	-69.1	-170	150.5	0	0	114.7	L4 W5 K6	E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 3.43Å; E2-W5 PolarHBondContact O-N 3.01Å; E2-K6 PolarHBondContact O-N 3.36Å
3	W	66.9	Low	66.1	Low	13 Å²	13	59.5 Å²	59.5	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-35.8	179.1	74.3	-90.9	0	0	0	112.3	M1 L7 L40 L60 I64 Y88 K92	M1-W3 PolarHBondContact O-N 2.97Å; W3-L7 HydrophobicContact CE3-CD1 4.09Å; W3-L7 HydrophobicContact CZ3-CD1 4.08Å; W3-L7 WeakPolarHBondContact O-CB 3.11Å; W3-L7 PolarHBondContact O-N 3.16Å; W3-L7 VanDerWaalsContact O-N 3.12Å; W3-L40 HydrophobicContact CH2-CD2 4.1Å; W3-L60 PolarHBondContact NE1-O 3.45Å; W3-I64 HydrophobicContact CB-CG1 4.21Å; W3-I64 WeakPolarHBondContact O-CD1 3.25Å; W3-Y88 HydrophobicContact CE3-CE1 4.11Å; W3-K92 HydrophobicContact CD2-CD 4.32Å; W3-K92 HydrophobicContact CD2-CG 4.44Å; W3-K92 HydrophobicContact CE3-CB 4.41Å; W3-K92 HydrophobicContact CE3-CD 4.37Å; W3-K92 HydrophobicContact CE3-CG 4Å; W3-K92 HydrophobicContact CH2-CB 3.36Å; W3-K92 HydrophobicContact CH2-CD 4.38Å; W3-K92 HydrophobicContact CH2-CG 3.86Å; W3-K92 HydrophobicContact CZ2-CB 3.95Å; W3-K92 HydrophobicContact CZ2-CD 4.33Å; W3-K92 HydrophobicContact CZ2-CG 4.31Å; W3-K92 HydrophobicContact CZ3-CB 3.62Å; W3-K92 HydrophobicContact CZ3-CD 4.39Å; W3-K92 HydrophobicContact CZ3-CG 3.68Å
4	L	69.1	Low	65.3	Low	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-73.7	-39.3	-179.6	-154.6	89.1	0	0	0	111	M1 E2 L7 L8 L40 Y41	M1-L4 HydrophobicContact CE-CD2 3.93Å; M1-L4 PolarHBondContact O-N 3.28Å; M1-L4 HydrophobicContact SD-CB 4.32Å; E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 3.39Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.23Å; L4-L40 HydrophobicContact CD1-CD2 3.76Å; L4-Y41 HydrophobicContact CD2-CD2 3.55Å; L4-Y41 HydrophobicContact CD2-CG 3.91Å
5	W	70.3	Confident	64.5	Low	140 Å²	140	59.3 Å²	59.3	53%	0.53	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-43.8	175.8	-118.9	101.2	0	0	0	112	E2 L7 L8 N9	E2-W5 PolarHBondContact O-N 3.01Å; W5-L7 VanDerWaalsContact C-N 3.3Å; W5-L7 PolarHBondContact O-N 3.27Å; W5-L8 PolarHBondContact O-N 3.43Å; W5-N9 PolarHBondContact O-N 3.2Å
6	K	67.7	Low	63.7	Low	117 Å²	117	62.6 Å²	62.6	51%	0.509	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-38.3	174.8	-78.8	178.4	176.7	172.6	0	112.1	E2 N9 L10 I64	E2-K6 PolarHBondContact O-N 3.36Å; K6-N9 PolarHBondContact O-N 3.39Å; K6-L10 WeakPolarHBondContact O-CB 3.4Å; K6-L10 PolarHBondContact O-N 2.96Å; K6-I64 HydrophobicContact CB-CD1 3.51Å; K6-I64 HydrophobicContact CD-CD1 4.49Å
7	L	68.4	Low	62.9	Low	1 Å²	1	65.4 Å²	65.4	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-66.6	-42.2	177.6	-131.9	152.2	0	0	0	111.7	W3 L4 W5 N9 L10 V11 I33 I85 Y88 L89	W3-L7 HydrophobicContact CE3-CD1 4.09Å; W3-L7 HydrophobicContact CZ3-CD1 4.08Å; W3-L7 WeakPolarHBondContact O-CB 3.11Å; W3-L7 PolarHBondContact O-N 3.16Å; W3-L7 VanDerWaalsContact O-N 3.12Å; L4-L7 PolarHBondContact O-N 3.39Å; W5-L7 VanDerWaalsContact C-N 3.3Å; W5-L7 PolarHBondContact O-N 3.27Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 2.92Å; L7-L10 PolarHBondContact O-N 3.31Å; L7-V11 HydrophobicContact CD2-CG2 4.4Å; L7-V11 VanDerWaalsContact O-CG2 3.26Å; L7-V11 WeakPolarHBondContact O-CG2 3.43Å; L7-V11 PolarHBondContact O-N 3.08Å; L7-I33 HydrophobicContact CD2-CG2 3.57Å; L7-I85 HydrophobicContact CD2-CG2 3.93Å; L7-Y88 HydrophobicContact CD1-CD1 3.94Å; L7-Y88 HydrophobicContact CD1-CE1 3.97Å; L7-L89 HydrophobicContact CD1-CD1 3.89Å; L7-L89 HydrophobicContact CD2-CD1 4.02Å
8	L	69.1	Low	62.3	Low	18 Å²	18	68.2 Å²	68.2	9%	0.094	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-43.8	173.9	-73.5	166	0	0	0	111.5	L4 W5 T12 Y34 A37 N38	L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.23Å; W5-L8 PolarHBondContact O-N 3.43Å; L8-T12 PolarHBondContact O-N 3.27Å; L8-T12 PolarHBondContact O-OG1 2.72Å; L8-Y34 HydrophobicContact CD2-CD2 3.58Å; L8-Y34 HydrophobicContact CD2-CE2 3.59Å; L8-Y34 HydrophobicContact CD2-CG 4.47Å; L8-A37 HydrophobicContact CD2-CB 3.94Å; L8-A37 HydrophobicContact CG-CB 4.34Å; L8-N38 HydrophobicContact CD2-CB 4.17Å
9	N	67.7	Low	61.9	Low	83 Å²	83	71.8 Å²	71.8	44%	0.444	39%	0.385	S	S	.	.	H	α-helix	trans	-65	-44.5	177.3	-93.4	1.4	0	0	0	112.8	W5 K6 L7 V11 T12 T13	W5-N9 PolarHBondContact O-N 3.2Å; K6-N9 PolarHBondContact O-N 3.39Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 2.92Å; N9-V11 PolarHBondContact O-N 3.48Å; N9-T12 WeakPolarHBondContact CA-OG1 3.33Å; N9-T12 PolarHBondContact O-N 3.46Å; N9-T12 VanDerWaalsContact O-N 3.07Å; N9-T12 PolarHBondContact O-OG1 2.86Å; N9-T13 PolarHBondContact O-N 3.15Å; N9-T13 VanDerWaalsContact O-N 3.16Å; N9-T13 PolarHBondContact O-OG1 3.27Å
10	L	65.8	Low	61.7	Low	34 Å²	34	73.1 Å²	73.1	18%	0.178	40%	0.399	C	S	.	.	H	α-helix	trans	-58.4	-39.9	-177.2	-154.9	105.4	0	0	0	111.9	K6 L7 T12 T13 I68 I69 I85	K6-L10 WeakPolarHBondContact O-CB 3.4Å; K6-L10 PolarHBondContact O-N 2.96Å; L7-L10 PolarHBondContact O-N 3.31Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 PolarHBondContact O-N 2.87Å; L10-T13 PolarHBondContact O-N 3.25Å; L10-T13 PolarHBondContact O-OG1 2.89Å; L10-I68 VanDerWaalsContact CD2-O 3.32Å; L10-I68 WeakPolarHBondContact CD2-O 3.47Å; L10-I69 HydrophobicContact CD1-CB 4.33Å; L10-I69 HydrophobicContact CD1-CG2 3.92Å; L10-I85 HydrophobicContact CD2-CD1 3.94Å
11	V	62.8	Low	61.3	Low	14 Å²	14	76.8 Å²	76.8	9%	0.085	41%	0.413	C	S	.	.	H	α-helix	trans	-71.2	-28.5	-178.6	179.5	0	0	0	0	111.9	L7 N9 N30 I33	L7-V11 HydrophobicContact CD2-CG2 4.4Å; L7-V11 VanDerWaalsContact O-CG2 3.26Å; L7-V11 WeakPolarHBondContact O-CG2 3.43Å; L7-V11 PolarHBondContact O-N 3.08Å; N9-V11 PolarHBondContact O-N 3.48Å; V11-N30 HydrophobicContact CG1-CB 3.79Å; V11-N30 WeakPolarHBondContact CG1-O 3.44Å; V11-I33 HydrophobicContact CG2-CB 4.37Å; V11-I33 HydrophobicContact CG2-CG2 3.88Å
12	T	60.7	Low	60.8	Low	74 Å²	74	81.3 Å²	81.3	45%	0.454	44%	0.437	S	S	.	.	H	α-helix	trans	-81.3	-25.6	177.6	53.8	0	0	0	0	114.2	L8 N9 L10 Y34	L8-T12 PolarHBondContact O-N 3.27Å; L8-T12 PolarHBondContact O-OG1 2.72Å; N9-T12 WeakPolarHBondContact CA-OG1 3.33Å; N9-T12 PolarHBondContact O-N 3.46Å; N9-T12 VanDerWaalsContact O-N 3.07Å; N9-T12 PolarHBondContact O-OG1 2.86Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 PolarHBondContact O-N 2.87Å; T12-Y34 HydrophobicContact CG2-CE2 4.41Å
13	T	60.3	Low	60.3	Low	97 Å²	97	76.8 Å²	76.8	60%	0.595	42%	0.416	S	S	*	.	H	α-helix	trans	-86.3	-15.9	-175.2	45.9	0	0	0	0	114.7	N9 L10 N15	N9-T13 PolarHBondContact O-N 3.15Å; N9-T13 VanDerWaalsContact O-N 3.16Å; N9-T13 PolarHBondContact O-OG1 3.27Å; L10-T13 PolarHBondContact O-N 3.25Å; L10-T13 PolarHBondContact O-OG1 2.89Å; T13-N15 PolarHBondContact O-N 2.92Å
14	S	55.3	Low	60	Low	19 Å²	19	80.2 Å²	80.2	13%	0.133	44%	0.435	C	S	.	.			trans	-72.2	16	-176.5	-153.1	0	0	0	0	115.1	K26	S14-K26 WeakPolarHBondContact OG-CE 3.4Å; S14-K26 PolarHBondContact OG-NZ 2.93Å; S14-K26 VanDerWaalsContact OG-NZ 3.08Å
15	N	52.1	Low	59.7	Low	97 Å²	97	84.4 Å²	84.4	52%	0.519	46%	0.457	S	S	.	.			trans	-101.4	16.5	-163.5	-103.4	4.8	0	0	0	116.2	T13 L27	T13-N15 PolarHBondContact O-N 2.92Å; N15-L27 WeakPolarHBondContact OD1-CD2 3.49Å
16	S	51.9	Low	59.4	Low	111 Å²	111	80.2 Å²	80.2	78%	0.776	44%	0.443	S	S	*	.			trans	-98.8	12.3	-164.8	45.9	0	0	0	0	117.7
17	N	50.6	Low	59.2	Low	110 Å²	110	78 Å²	78	59%	0.588	44%	0.436	S	S	*	.			trans	-139	133.5	179.7	-134.3	-14.2	0	0	0	113.3	N19 Q23	N17-N19 PolarHBondContact O-N 3.23Å; N17-Q23 PolarHBondContact O-NE2 2.83Å; N17-Q23 PolarHBondContact O-OE1 3.1Å
18	P	51.3	Low	59.3	Low	117 Å²	117	83.6 Å²	83.6	76%	0.76	46%	0.461	S	S	*	.			trans	-93	28.4	-162.7	35.4	-34.3	0	0	0	116.5
19	N	55.2	Low	59.2	Low	137 Å²	137	85.6 Å²	85.6	73%	0.733	47%	0.468	S	S	*	.			trans	-86	120.4	-174.5	-129.8	-8.8	0	0	0	113.4	N17 Q21 Q23	N17-N19 PolarHBondContact O-N 3.23Å; N19-Q21 PolarHBondContact O-N 3.02Å; N19-Q23 WeakPolarHBondContact O-CB 3.37Å; N19-Q23 WeakPolarHBondContact O-CG 3.3Å
20	C	57.8	Low	59.3	Low	97 Å²	97	82.1 Å²	82.1	66%	0.655	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-9.8	-132.2	-150.7	0	0	0	0	118.5
21	Q	54.3	Low	59.6	Low	150 Å²	150	87.6 Å²	87.6	70%	0.701	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-54.1	-178.6	-146	81.9	19.2	0	0	113.4	N19 Q23 L24 D25	N19-Q21 PolarHBondContact O-N 3.02Å; Q21-Q23 PolarHBondContact O-N 3.33Å; Q21-L24 WeakPolarHBondContact O-CB 3.13Å; Q21-L24 PolarHBondContact O-N 3.41Å; Q21-D25 PolarHBondContact O-N 3.04Å
22	L	53.5	Low	60.1	Low	132 Å²	132	92.5 Å²	92.5	69%	0.691	49%	0.491	S	S	*	.	H	α-helix	trans	-59.6	-35.3	177.4	-99	150.1	0	0	0	112.1	K26	L22-K26 WeakPolarHBondContact O-CB 3.35Å; L22-K26 PolarHBondContact O-N 3.13Å; L22-K26 VanDerWaalsContact O-N 3.08Å
23	Q	56.3	Low	60.7	Low	51 Å²	51	89 Å²	89	24%	0.238	47%	0.47	C	S	.	.	H	α-helix	trans	-72.8	-26.5	174	-73.4	-150.3	12.2	0	0	114.1	N17 N19 Q21 K26 L27	N17-Q23 PolarHBondContact O-NE2 2.83Å; N17-Q23 PolarHBondContact O-OE1 3.1Å; N19-Q23 WeakPolarHBondContact O-CB 3.37Å; N19-Q23 WeakPolarHBondContact O-CG 3.3Å; Q21-Q23 PolarHBondContact O-N 3.33Å; Q23-K26 PolarHBondContact O-N 3.29Å; Q23-L27 WeakPolarHBondContact O-CB 3.28Å; Q23-L27 PolarHBondContact O-N 3.11Å
24	L	59.8	Low	61.3	Low	85 Å²	85	88.2 Å²	88.2	45%	0.445	46%	0.457	S	S	.	.	H	α-helix	trans	-68.6	-40.8	179.7	-150.5	90.2	0	0	0	110.8	Q21 L27 K28	Q21-L24 WeakPolarHBondContact O-CB 3.13Å; Q21-L24 PolarHBondContact O-N 3.41Å; L24-L27 WeakPolarHBondContact O-CB 3.47Å; L24-L27 PolarHBondContact O-N 3.22Å; L24-K28 WeakPolarHBondContact O-CG 3.19Å; L24-K28 PolarHBondContact O-N 2.88Å
25	D	63.3	Low	62.4	Low	88 Å²	88	93.5 Å²	93.5	47%	0.471	48%	0.477	S	S	.	.	H	α-helix	trans	-72.3	-36.4	174.1	-73	-24.1	0	0	0	111.7	Q21 L27 K28 K29	Q21-D25 PolarHBondContact O-N 3.04Å; D25-L27 VanDerWaalsContact C-N 3.35Å; D25-K28 PolarHBondContact O-N 2.97Å; D25-K28 IonicContact OD1-NZ 3.78Å; D25-K29 PolarHBondContact O-N 2.84Å
26	K	63	Low	63.5	Low	52 Å²	52	92.2 Å²	92.2	23%	0.226	47%	0.469	C	S	.	.	H	α-helix	trans	-57.6	-47.4	168.4	-169.6	176.4	-176	-176.9	0	110.7	S14 L22 Q23 K28 K29 N30 D71	S14-K26 WeakPolarHBondContact OG-CE 3.4Å; S14-K26 PolarHBondContact OG-NZ 2.93Å; S14-K26 VanDerWaalsContact OG-NZ 3.08Å; L22-K26 WeakPolarHBondContact O-CB 3.35Å; L22-K26 PolarHBondContact O-N 3.13Å; L22-K26 VanDerWaalsContact O-N 3.08Å; Q23-K26 PolarHBondContact O-N 3.29Å; K26-K28 PolarHBondContact O-N 3.47Å; K26-K29 PolarHBondContact O-N 2.87Å; K26-N30 WeakPolarHBondContact O-CB 3.5Å; K26-N30 PolarHBondContact O-N 3.47Å; K26-D71 IonicContact NZ-OD1 2.74Å; K26-D71 PolarHBondContact NZ-OD1 3.46Å
27	L	65.1	Low	64.5	Low	71 Å²	71	87 Å²	87	37%	0.372	43%	0.433	S	S	.	.	H	α-helix	trans	-60.5	-43.7	177.4	-99.1	154.9	0	0	0	112	N15 Q23 L24 D25 Y31	N15-L27 WeakPolarHBondContact OD1-CD2 3.49Å; Q23-L27 WeakPolarHBondContact O-CB 3.28Å; Q23-L27 PolarHBondContact O-N 3.11Å; L24-L27 WeakPolarHBondContact O-CB 3.47Å; L24-L27 PolarHBondContact O-N 3.22Å; D25-L27 VanDerWaalsContact C-N 3.35Å; L27-Y31 WeakPolarHBondContact O-CB 3.46Å; L27-Y31 PolarHBondContact O-N 3.22Å
28	K	69.3	Low	65.6	Low	119 Å²	119	84.1 Å²	84.1	52%	0.517	42%	0.418	S	S	.	.	H	α-helix	trans	-63.6	-46.7	176.5	-76.7	174.8	-174	166.2	0	111.6	L24 D25 K26 Y31 Q32	L24-K28 WeakPolarHBondContact O-CG 3.19Å; L24-K28 PolarHBondContact O-N 2.88Å; D25-K28 PolarHBondContact O-N 2.97Å; D25-K28 IonicContact OD1-NZ 3.78Å; K26-K28 PolarHBondContact O-N 3.47Å; K28-Y31 PolarHBondContact O-N 3.06Å; K28-Q32 WeakPolarHBondContact O-CG 3.38Å; K28-Q32 PolarHBondContact O-N 3.37Å
29	K	66.9	Low	66.9	Low	59 Å²	59	85.3 Å²	85.3	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-64.2	-46.1	177.9	-73.7	-177.7	-177	177.8	0	110.9	D25 K26 Y31 Q32 I33 D79 N82	D25-K29 PolarHBondContact O-N 2.84Å; K26-K29 PolarHBondContact O-N 2.87Å; K29-Y31 PolarHBondContact O-N 3.45Å; K29-Q32 WeakPolarHBondContact O-CB 3.47Å; K29-Q32 PolarHBondContact O-N 2.95Å; K29-Q32 VanDerWaalsContact O-N 3.16Å; K29-I33 WeakPolarHBondContact O-CG1 3.35Å; K29-I33 PolarHBondContact O-N 3.17Å; K29-D79 IonicContact NZ-OD1 3.7Å; K29-D79 PolarHBondContact NZ-OD1 3.34Å; K29-N82 HydrophobicContact CD-CB 4.27Å
30	N	69.8	Low	67.8	Low	10 Å²	10	80.1 Å²	80.1	5%	0.053	39%	0.385	C	S	.	.	H	α-helix	trans	-55.8	-49.5	173.5	-80.8	0.1	0	0	0	111	V11 K26 Q32 I33 Y34 N82	V11-N30 HydrophobicContact CG1-CB 3.79Å; V11-N30 WeakPolarHBondContact CG1-O 3.44Å; K26-N30 WeakPolarHBondContact O-CB 3.5Å; K26-N30 PolarHBondContact O-N 3.47Å; N30-Q32 VanDerWaalsContact C-N 3.31Å; N30-Q32 PolarHBondContact O-N 3Å; N30-I33 WeakPolarHBondContact O-CB 3.34Å; N30-I33 PolarHBondContact O-N 3.06Å; N30-I33 VanDerWaalsContact O-N 3.09Å; N30-Y34 PolarHBondContact O-N 3.19Å; N30-N82 PolarHBondContact OD1-OD1 2.94Å
31	Y	72.1	Confident	68.6	Low	149 Å²	149	78.3 Å²	78.3	58%	0.584	37%	0.365	S	S	*	.	H	α-helix	trans	-61.1	-37.8	177.7	-175.6	-101	0	0	0	112.7	L27 K28 K29 Y34 K35	L27-Y31 WeakPolarHBondContact O-CB 3.46Å; L27-Y31 PolarHBondContact O-N 3.22Å; K28-Y31 PolarHBondContact O-N 3.06Å; K29-Y31 PolarHBondContact O-N 3.45Å; Y31-Y34 PolarHBondContact O-N 3.42Å; Y31-K35 WeakPolarHBondContact O-CB 3.49Å; Y31-K35 PolarHBondContact O-N 3.36Å
32	Q	73.1	Confident	69.7	Low	117 Å²	117	74.4 Å²	74.4	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-44.1	172.8	-74.2	-176.8	0.5	0	0	112	K28 K29 N30 Y34 K35 I36	K28-Q32 WeakPolarHBondContact O-CG 3.38Å; K28-Q32 PolarHBondContact O-N 3.37Å; K29-Q32 WeakPolarHBondContact O-CB 3.47Å; K29-Q32 PolarHBondContact O-N 2.95Å; K29-Q32 VanDerWaalsContact O-N 3.16Å; N30-Q32 VanDerWaalsContact C-N 3.31Å; N30-Q32 PolarHBondContact O-N 3Å; Q32-Y34 VanDerWaalsContact C-N 3.35Å; Q32-K35 PolarHBondContact O-N 3.28Å; Q32-I36 VanDerWaalsContact O-CG1 3.29Å; Q32-I36 WeakPolarHBondContact O-CG1 3.42Å; Q32-I36 PolarHBondContact O-N 2.65Å
33	I	72.9	Confident	70.6	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-48	175.6	-65.4	162.3	0	0	0	109.8	L7 V11 K29 N30 K35 I36 A37 I85 L86	L7-I33 HydrophobicContact CD2-CG2 3.57Å; V11-I33 HydrophobicContact CG2-CB 4.37Å; V11-I33 HydrophobicContact CG2-CG2 3.88Å; K29-I33 WeakPolarHBondContact O-CG1 3.35Å; K29-I33 PolarHBondContact O-N 3.17Å; N30-I33 WeakPolarHBondContact O-CB 3.34Å; N30-I33 PolarHBondContact O-N 3.06Å; N30-I33 VanDerWaalsContact O-N 3.09Å; I33-K35 PolarHBondContact O-N 2.89Å; I33-I36 PolarHBondContact O-N 2.8Å; I33-A37 VanDerWaalsContact O-CB 3.31Å; I33-A37 WeakPolarHBondContact O-CB 3.32Å; I33-A37 PolarHBondContact O-N 2.71Å; I33-I85 HydrophobicContact CD1-CB 4.12Å; I33-I85 HydrophobicContact CD1-CG2 3.96Å; I33-I85 HydrophobicContact CG2-CG2 4.03Å; I33-L86 HydrophobicContact CD1-CD2 4.37Å; I33-L86 HydrophobicContact CD1-CG 4.02Å; I33-L86 HydrophobicContact CG1-CD2 3.61Å; I33-L86 HydrophobicContact CG1-CG 3.82Å
34	Y	74.1	Confident	71.3	Confident	82 Å²	82	71.4 Å²	71.4	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-57	-48.7	175.8	175	-96.1	0	0	0	111.5	L8 T12 N30 Y31 Q32 I36 A37 N38	L8-Y34 HydrophobicContact CD2-CD2 3.58Å; L8-Y34 HydrophobicContact CD2-CE2 3.59Å; L8-Y34 HydrophobicContact CD2-CG 4.47Å; T12-Y34 HydrophobicContact CG2-CE2 4.41Å; N30-Y34 PolarHBondContact O-N 3.19Å; Y31-Y34 PolarHBondContact O-N 3.42Å; Q32-Y34 VanDerWaalsContact C-N 3.35Å; Y34-I36 VanDerWaalsContact C-N 3.33Å; Y34-I36 PolarHBondContact O-N 3.43Å; Y34-A37 PolarHBondContact O-N 3.48Å; Y34-N38 HydrophobicContact CE1-CB 4.39Å; Y34-N38 VanDerWaalsContact O-CB 3.22Å; Y34-N38 WeakPolarHBondContact O-CB 3.48Å; Y34-N38 PolarHBondContact O-N 3.48Å
35	K	77.3	Confident	72.1	Confident	130 Å²	130	70.8 Å²	70.8	57%	0.565	32%	0.321	S	S	*	.	H	α-helix	trans	-60.2	-44.1	-178.9	-171	176.9	-179	178.5	0	111.3	Y31 Q32 I33 H39	Y31-K35 WeakPolarHBondContact O-CB 3.49Å; Y31-K35 PolarHBondContact O-N 3.36Å; Q32-K35 PolarHBondContact O-N 3.28Å; I33-K35 PolarHBondContact O-N 2.89Å; K35-H39 WeakPolarHBondContact O-CB 3.21Å; K35-H39 PolarHBondContact O-N 3.13Å
36	I	76.4	Confident	72.6	Confident	69 Å²	69	73.6 Å²	73.6	35%	0.354	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-47.4	177.7	-63.9	165.5	0	0	0	110.6	Q32 I33 Y34 N38 H39 L40 L89 M93	Q32-I36 VanDerWaalsContact O-CG1 3.29Å; Q32-I36 WeakPolarHBondContact O-CG1 3.42Å; Q32-I36 PolarHBondContact O-N 2.65Å; I33-I36 PolarHBondContact O-N 2.8Å; Y34-I36 VanDerWaalsContact C-N 3.33Å; Y34-I36 PolarHBondContact O-N 3.43Å; I36-N38 VanDerWaalsContact C-N 3.33Å; I36-N38 PolarHBondContact O-N 2.93Å; I36-H39 PolarHBondContact O-N 3.29Å; I36-L40 WeakPolarHBondContact O-CB 3.37Å; I36-L40 PolarHBondContact O-N 2.74Å; I36-L89 HydrophobicContact CB-CD2 3.89Å; I36-L89 HydrophobicContact CD1-CD2 4.38Å; I36-L89 HydrophobicContact CG2-CD2 3.54Å; I36-M93 HydrophobicContact CG2-SD 3.6Å
37	A	72.8	Confident	73	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-42.7	179.6	0	0	0	0	0	111.7	L8 I33 Y34 L40 Y41 L89	L8-A37 HydrophobicContact CD2-CB 3.94Å; L8-A37 HydrophobicContact CG-CB 4.34Å; I33-A37 VanDerWaalsContact O-CB 3.31Å; I33-A37 WeakPolarHBondContact O-CB 3.32Å; I33-A37 PolarHBondContact O-N 2.71Å; Y34-A37 PolarHBondContact O-N 3.48Å; A37-L40 PolarHBondContact O-N 3.32Å; A37-Y41 WeakPolarHBondContact O-CB 3.48Å; A37-Y41 PolarHBondContact O-N 3.39Å; A37-L89 HydrophobicContact CB-CD1 4.19Å
38	N	74.4	Confident	73.1	Confident	51 Å²	51	75.3 Å²	75.3	27%	0.273	35%	0.352	S	S	.	.	H	α-helix	trans	-65.3	-43	177.4	-171.3	51.4	0	0	0	111	L8 Y34 I36 L40 Y41 Q42	L8-N38 HydrophobicContact CD2-CB 4.17Å; Y34-N38 HydrophobicContact CE1-CB 4.39Å; Y34-N38 VanDerWaalsContact O-CB 3.22Å; Y34-N38 WeakPolarHBondContact O-CB 3.48Å; Y34-N38 PolarHBondContact O-N 3.48Å; I36-N38 VanDerWaalsContact C-N 3.33Å; I36-N38 PolarHBondContact O-N 2.93Å; N38-L40 VanDerWaalsContact C-N 3.31Å; N38-L40 PolarHBondContact O-N 2.97Å; N38-Y41 WeakPolarHBondContact O-CB 3.39Å; N38-Y41 PolarHBondContact O-N 2.97Å; N38-Q42 WeakPolarHBondContact O-CG 3.37Å; N38-Q42 PolarHBondContact O-N 2.98Å
39	H	77	Confident	73	Confident	141 Å²	141	71.8 Å²	71.8	65%	0.653	35%	0.35	S	S	*	.	H	α-helix	trans	-63.4	-39.7	177.5	-148.3	174.4	0	0	0	111.7	K35 I36 Y41 Q42 Y43	K35-H39 WeakPolarHBondContact O-CB 3.21Å; K35-H39 PolarHBondContact O-N 3.13Å; I36-H39 PolarHBondContact O-N 3.29Å; H39-Y41 VanDerWaalsContact C-N 3.34Å; H39-Q42 PolarHBondContact O-N 3.35Å; H39-Y43 WeakPolarHBondContact O-CB 3.14Å; H39-Y43 PolarHBondContact O-N 3.33Å
40	L	74.4	Confident	73.2	Confident	28 Å²	28	69.6 Å²	69.6	15%	0.147	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-40.3	174.3	-160.1	80.2	0	0	0	111.7	W3 L4 I36 A37 N38 Y43 L44 M93 L96	W3-L40 HydrophobicContact CH2-CD2 4.1Å; L4-L40 HydrophobicContact CD1-CD2 3.76Å; I36-L40 WeakPolarHBondContact O-CB 3.37Å; I36-L40 PolarHBondContact O-N 2.74Å; A37-L40 PolarHBondContact O-N 3.32Å; N38-L40 VanDerWaalsContact C-N 3.31Å; N38-L40 PolarHBondContact O-N 2.97Å; L40-Y43 PolarHBondContact O-N 2.99Å; L40-L44 HydrophobicContact CG-CD1 4.37Å; L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 WeakPolarHBondContact O-CG 3.32Å; L40-L44 PolarHBondContact O-N 3.45Å; L40-M93 HydrophobicContact CD1-CG 4.11Å; L40-M93 HydrophobicContact CD2-CG 4.16Å; L40-L96 HydrophobicContact CD1-CD2 3.87Å; L40-L96 HydrophobicContact CD2-CD2 4.17Å; L40-L96 HydrophobicContact CG-CD2 4.11Å
41	Y	75.8	Confident	73.2	Confident	60 Å²	60	72 Å²	72	24%	0.235	35%	0.354	C	S	.	.	H	α-helix	trans	-60	-50.7	176.4	-174.3	-114.8	0	0	0	111	M1 L4 A37 N38 H39 Y43 L44 I45	M1-Y41 HydrophobicContact CE-CD2 3.6Å; M1-Y41 HydrophobicContact CE-CE2 3.9Å; L4-Y41 HydrophobicContact CD2-CD2 3.55Å; L4-Y41 HydrophobicContact CD2-CG 3.91Å; A37-Y41 WeakPolarHBondContact O-CB 3.48Å; A37-Y41 PolarHBondContact O-N 3.39Å; N38-Y41 WeakPolarHBondContact O-CB 3.39Å; N38-Y41 PolarHBondContact O-N 2.97Å; H39-Y41 VanDerWaalsContact C-N 3.34Å; Y41-Y43 PolarHBondContact O-N 2.87Å; Y41-L44 PolarHBondContact O-N 2.78Å; Y41-I45 HydrophobicContact CD1-CD1 4.37Å; Y41-I45 HydrophobicContact CD2-CG2 4.39Å; Y41-I45 HydrophobicContact CE1-CD1 4.14Å; Y41-I45 HydrophobicContact CE1-CG2 4.13Å; Y41-I45 HydrophobicContact CE2-CG2 3.98Å; Y41-I45 WeakPolarHBondContact O-CG1 3.24Å; Y41-I45 PolarHBondContact O-N 3.28Å
42	Q	75.5	Confident	73	Confident	67 Å²	67	71.6 Å²	71.6	31%	0.313	36%	0.357	S	S	.	.	H	α-helix	trans	-58	-48.2	178.5	-67.1	-59.5	-35.9	0	0	111.1	N38 H39 L44 I45 E46	N38-Q42 WeakPolarHBondContact O-CG 3.37Å; N38-Q42 PolarHBondContact O-N 2.98Å; H39-Q42 PolarHBondContact O-N 3.35Å; Q42-L44 VanDerWaalsContact C-N 3.28Å; Q42-L44 PolarHBondContact O-N 2.82Å; Q42-I45 WeakPolarHBondContact O-CG1 3.29Å; Q42-I45 PolarHBondContact O-N 3.3Å; Q42-E46 WeakPolarHBondContact O-CB 3.22Å; Q42-E46 VanDerWaalsContact O-CG 3.3Å; Q42-E46 WeakPolarHBondContact O-CG 3.49Å; Q42-E46 PolarHBondContact O-N 3.21Å
43	Y	73.6	Confident	72.9	Confident	118 Å²	118	67.8 Å²	67.8	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-57.1	-41.3	177.3	-177.1	-96.6	0	0	0	113	H39 L40 Y41 S47 L50 L100	H39-Y43 WeakPolarHBondContact O-CB 3.14Å; H39-Y43 PolarHBondContact O-N 3.33Å; L40-Y43 PolarHBondContact O-N 2.99Å; Y41-Y43 PolarHBondContact O-N 2.87Å; Y43-S47 VanDerWaalsContact O-CB 3.28Å; Y43-S47 WeakPolarHBondContact O-CB 3.46Å; Y43-S47 PolarHBondContact O-N 3.38Å; Y43-S47 VanDerWaalsContact O-N 3.15Å; Y43-S47 PolarHBondContact O-OG 3.38Å; Y43-L50 HydrophobicContact CD1-CD1 4.32Å; Y43-L50 HydrophobicContact CE1-CD1 3.65Å; Y43-L100 HydrophobicContact CE1-CD1 4.21Å
44	L	71.5	Confident	72.6	Confident	2 Å²	2	68 Å²	68	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-71.3	-34.6	-179.2	-78.3	173.4	0	0	0	113.6	M1 L40 Y41 Q42 L50 I51 L96	M1-L44 HydrophobicContact CE-CB 4.07Å; M1-L44 HydrophobicContact CE-CD1 3.63Å; M1-L44 HydrophobicContact SD-CD1 3.82Å; L40-L44 HydrophobicContact CG-CD1 4.37Å; L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 WeakPolarHBondContact O-CG 3.32Å; L40-L44 PolarHBondContact O-N 3.45Å; Y41-L44 PolarHBondContact O-N 2.78Å; Q42-L44 VanDerWaalsContact C-N 3.28Å; Q42-L44 PolarHBondContact O-N 2.82Å; L44-L50 HydrophobicContact CD2-CB 4.03Å; L44-I51 HydrophobicContact CB-CG1 4.13Å; L44-I51 WeakPolarHBondContact O-CG1 3.44Å; L44-L96 HydrophobicContact CD1-CD2 4.09Å; L44-L96 HydrophobicContact CD2-CD1 3.97Å; L44-L96 HydrophobicContact CD2-CD2 3.94Å; L44-L96 HydrophobicContact CG-CD2 4.2Å
45	I	75.4	Confident	72.4	Confident	73 Å²	73	66.1 Å²	66.1	37%	0.374	34%	0.339	S	S	.	.	H	α-helix	trans	-78.7	-33.7	176.7	62.5	174.2	0	0	0	112.1	Y41 Q42 I51	Y41-I45 HydrophobicContact CD1-CD1 4.37Å; Y41-I45 HydrophobicContact CD2-CG2 4.39Å; Y41-I45 HydrophobicContact CE1-CD1 4.14Å; Y41-I45 HydrophobicContact CE1-CG2 4.13Å; Y41-I45 HydrophobicContact CE2-CG2 3.98Å; Y41-I45 WeakPolarHBondContact O-CG1 3.24Å; Y41-I45 PolarHBondContact O-N 3.28Å; Q42-I45 WeakPolarHBondContact O-CG1 3.29Å; Q42-I45 PolarHBondContact O-N 3.3Å; I45-I51 HydrophobicContact CB-CD1 4.16Å; I45-I51 HydrophobicContact CG2-CD1 3.35Å
46	E	74.8	Confident	72.2	Confident	147 Å²	147	65.9 Å²	65.9	69%	0.687	34%	0.344	S	S	*	.	H	α-helix	trans	-78.2	-24.2	-178.3	-72	177.1	176	0	0	112.4	Q42 P48	Q42-E46 WeakPolarHBondContact O-CB 3.22Å; Q42-E46 VanDerWaalsContact O-CG 3.3Å; Q42-E46 WeakPolarHBondContact O-CG 3.49Å; Q42-E46 PolarHBondContact O-N 3.21Å; E46-P48 WeakPolarHBondContact O-CD 3.31Å
47	S	70.3	Confident	71.8	Confident	27 Å²	27	66 Å²	66	19%	0.189	34%	0.34	C	S	.	.	S	Bend	trans	-87.1	119.6	178.7	-63.9	0	0	0	0	111.5	Y43 G49 L50	Y43-S47 VanDerWaalsContact O-CB 3.28Å; Y43-S47 WeakPolarHBondContact O-CB 3.46Å; Y43-S47 PolarHBondContact O-N 3.38Å; Y43-S47 VanDerWaalsContact O-N 3.15Å; Y43-S47 PolarHBondContact O-OG 3.38Å; S47-G49 PolarHBondContact O-N 3.45Å; S47-L50 PolarHBondContact O-N 2.86Å
48	P	66.8	Low	71.6	Confident	131 Å²	131	70.4 Å²	70.4	85%	0.851	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	128.3	-179.4	-21.4	31.2	0	0	0	111.5	E46 L50	E46-P48 WeakPolarHBondContact O-CD 3.31Å; P48-L50 PolarHBondContact O-N 3.12Å; P48-L50 VanDerWaalsContact O-N 3.11Å
49	G	68.6	Low	71.3	Confident	45 Å²	45	73.4 Å²	73.4	46%	0.464	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-14.6	174.4	0	0	0	0	0	115.9	S47 I51 Q52 F53	S47-G49 PolarHBondContact O-N 3.45Å; G49-I51 PolarHBondContact O-N 2.88Å; G49-Q52 WeakPolarHBondContact O-CB 3.5Å; G49-Q52 PolarHBondContact O-N 3.39Å; G49-Q52 VanDerWaalsContact O-N 3.1Å; G49-F53 WeakPolarHBondContact O-CB 3.48Å; G49-F53 PolarHBondContact O-N 3.49Å
50	L	70.6	Confident	70.9	Confident	13 Å²	13	66.8 Å²	66.8	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-66.3	-35.5	-179.4	-79.9	-171.6	0	0	0	113.7	Y43 L44 S47 P48 Q52 S54 L100	Y43-L50 HydrophobicContact CD1-CD1 4.32Å; Y43-L50 HydrophobicContact CE1-CD1 3.65Å; L44-L50 HydrophobicContact CD2-CB 4.03Å; S47-L50 PolarHBondContact O-N 2.86Å; P48-L50 PolarHBondContact O-N 3.12Å; P48-L50 VanDerWaalsContact O-N 3.11Å; L50-Q52 VanDerWaalsContact C-N 3.26Å; L50-Q52 PolarHBondContact O-N 3.29Å; L50-S54 WeakPolarHBondContact O-CB 3.39Å; L50-S54 PolarHBondContact O-N 2.93Å; L50-S54 PolarHBondContact O-OG 3.09Å; L50-L100 HydrophobicContact CD1-CD2 3.66Å; L50-L100 HydrophobicContact CD2-CD2 3.28Å; L50-L100 HydrophobicContact CD2-CG 4.29Å; L50-L100 HydrophobicContact CG-CD2 4.14Å
51	I	69.1	Low	70.5	Confident	62 Å²	62	68.5 Å²	68.5	32%	0.318	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-38.2	172.9	-103.5	176.8	0	0	0	111.8	M1 L44 I45 G49 S54 S55	M1-I51 HydrophobicContact CE-CD1 4.21Å; M1-I51 HydrophobicContact CE-CG1 4.1Å; M1-I51 HydrophobicContact CG-CG1 4.27Å; L44-I51 HydrophobicContact CB-CG1 4.13Å; L44-I51 WeakPolarHBondContact O-CG1 3.44Å; I45-I51 HydrophobicContact CB-CD1 4.16Å; I45-I51 HydrophobicContact CG2-CD1 3.35Å; G49-I51 PolarHBondContact O-N 2.88Å; I51-S54 WeakPolarHBondContact CA-OG 3.35Å; I51-S54 PolarHBondContact O-OG 3.28Å; I51-S54 VanDerWaalsContact O-OG 3.13Å; I51-S55 WeakPolarHBondContact O-CB 3.38Å; I51-S55 PolarHBondContact O-N 3.35Å; I51-S55 PolarHBondContact O-OG 3.07Å
52	Q	69.1	Low	70.1	Confident	140 Å²	140	72.3 Å²	72.3	65%	0.654	38%	0.378	S	S	*	.	H	α-helix	trans	-74.3	-44.4	-178.4	-138.9	168.9	6	0	0	110	G49 L50 S55 N56	G49-Q52 WeakPolarHBondContact O-CB 3.5Å; G49-Q52 PolarHBondContact O-N 3.39Å; G49-Q52 VanDerWaalsContact O-N 3.1Å; L50-Q52 VanDerWaalsContact C-N 3.26Å; L50-Q52 PolarHBondContact O-N 3.29Å; Q52-S55 PolarHBondContact O-N 2.81Å; Q52-N56 WeakPolarHBondContact O-CB 3.43Å; Q52-N56 PolarHBondContact O-N 2.79Å; Q52-N56 PolarHBondContact O-ND2 3.39Å
53	F	69.7	Low	69.6	Low	37 Å²	37	74 Å²	74	16%	0.162	40%	0.397	C	S	.	.	H	α-helix	trans	-57.4	-54.3	172.8	-169.4	-99.6	0	0	0	110.9	G49 S55 N56 Y57 L99 H103	G49-F53 WeakPolarHBondContact O-CB 3.48Å; G49-F53 PolarHBondContact O-N 3.49Å; F53-S55 VanDerWaalsContact C-N 3.28Å; F53-S55 PolarHBondContact O-N 2.94Å; F53-N56 PolarHBondContact O-N 2.77Å; F53-N56 VanDerWaalsContact O-N 3.12Å; F53-Y57 HydrophobicContact CD1-CD2 4.33Å; F53-Y57 HydrophobicContact CD1-CE2 4.3Å; F53-Y57 HydrophobicContact CD2-CE2 4.28Å; F53-Y57 HydrophobicContact CE1-CD2 4.15Å; F53-Y57 AromaticContact CE1-CE2 3.79Å; F53-Y57 HydrophobicContact CE1-CE2 3.79Å; F53-Y57 AromaticContact CE2-CE2 3.76Å; F53-Y57 HydrophobicContact CE2-CE2 3.76Å; F53-Y57 HydrophobicContact CZ-CD2 4.28Å; F53-Y57 AromaticContact CZ-CE2 3.48Å; F53-Y57 HydrophobicContact CZ-CE2 3.48Å; F53-Y57 VanDerWaalsContact CZ-CE2 3.48Å; F53-Y57 WeakPolarHBondContact O-CD2 3.36Å; F53-Y57 PolarHBondContact O-N 3.16Å; F53-L99 HydrophobicContact CE1-CB 3.95Å; F53-L99 HydrophobicContact CE1-CD2 3.75Å; F53-L99 HydrophobicContact CE1-CG 4.46Å; F53-L99 WeakPolarHBondContact CE1-O 3.35Å; F53-L99 HydrophobicContact CZ-CD2 4.16Å; F53-H103 AromaticContact CD2-ND1 3.96Å; F53-H103 HydrophobicContact CE1-CB 4.09Å; F53-H103 HydrophobicContact CE2-CB 4.24Å; F53-H103 AromaticContact CE2-ND1 3.51Å; F53-H103 HydrophobicContact CZ-CB 3.78Å; F53-H103 AromaticContact CZ-ND1 3.96Å
54	S	67.5	Low	69.3	Low	5 Å²	5	69.1 Å²	69.1	4%	0.035	38%	0.379	C	S	.	.	H	α-helix	trans	-64	-30.5	179.2	57.1	0	0	0	0	113.5	L50 I51	L50-S54 WeakPolarHBondContact O-CB 3.39Å; L50-S54 PolarHBondContact O-N 2.93Å; L50-S54 PolarHBondContact O-OG 3.09Å; I51-S54 WeakPolarHBondContact CA-OG 3.35Å; I51-S54 PolarHBondContact O-OG 3.28Å; I51-S54 VanDerWaalsContact O-OG 3.13Å
55	S	69.7	Low	69.1	Low	42 Å²	42	70.5 Å²	70.5	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-74.9	-27.4	175.2	-64.4	0	0	0	0	113.2	I51 Q52 F53 Y57 N61	I51-S55 WeakPolarHBondContact O-CB 3.38Å; I51-S55 PolarHBondContact O-N 3.35Å; I51-S55 PolarHBondContact O-OG 3.07Å; Q52-S55 PolarHBondContact O-N 2.81Å; F53-S55 VanDerWaalsContact C-N 3.28Å; F53-S55 PolarHBondContact O-N 2.94Å; S55-Y57 VanDerWaalsContact C-N 3.28Å; S55-Y57 PolarHBondContact O-N 3.32Å; S55-N61 PolarHBondContact O-ND2 3.48Å
56	N	72.4	Confident	68.6	Low	124 Å²	124	71.3 Å²	71.3	66%	0.663	40%	0.398	S	S	*	.	H	α-helix	trans	-79.9	-10.5	177.2	-70.6	-17.6	0	0	0	113.1	Q52 F53 P58	Q52-N56 WeakPolarHBondContact O-CB 3.43Å; Q52-N56 PolarHBondContact O-N 2.79Å; Q52-N56 PolarHBondContact O-ND2 3.39Å; F53-N56 PolarHBondContact O-N 2.77Å; F53-N56 VanDerWaalsContact O-N 3.12Å; N56-P58 WeakPolarHBondContact O-CD 3.14Å
57	Y	68.9	Low	68.2	Low	72 Å²	72	69.8 Å²	69.8	28%	0.282	39%	0.389	S	S	.	.			trans	-94.2	109.7	176.6	-87.6	-86.2	0	0	0	112.2	F53 S55 Q59 L60 N61 L99	F53-Y57 HydrophobicContact CD1-CD2 4.33Å; F53-Y57 HydrophobicContact CD1-CE2 4.3Å; F53-Y57 HydrophobicContact CD2-CE2 4.28Å; F53-Y57 HydrophobicContact CE1-CD2 4.15Å; F53-Y57 AromaticContact CE1-CE2 3.79Å; F53-Y57 HydrophobicContact CE1-CE2 3.79Å; F53-Y57 AromaticContact CE2-CE2 3.76Å; F53-Y57 HydrophobicContact CE2-CE2 3.76Å; F53-Y57 HydrophobicContact CZ-CD2 4.28Å; F53-Y57 AromaticContact CZ-CE2 3.48Å; F53-Y57 HydrophobicContact CZ-CE2 3.48Å; F53-Y57 VanDerWaalsContact CZ-CE2 3.48Å; F53-Y57 WeakPolarHBondContact O-CD2 3.36Å; F53-Y57 PolarHBondContact O-N 3.16Å; S55-Y57 VanDerWaalsContact C-N 3.28Å; S55-Y57 PolarHBondContact O-N 3.32Å; Y57-Q59 PolarHBondContact O-N 2.84Å; Y57-L60 PolarHBondContact O-N 3.45Å; Y57-L60 VanDerWaalsContact O-N 3.11Å; Y57-N61 PolarHBondContact O-N 3.29Å; Y57-L99 HydrophobicContact CD1-CD1 4.14Å; Y57-L99 HydrophobicContact CD1-CD2 3.4Å; Y57-L99 HydrophobicContact CD1-CG 4.36Å; Y57-L99 HydrophobicContact CD2-CD1 4.29Å; Y57-L99 HydrophobicContact CD2-CD2 3.43Å; Y57-L99 VanDerWaalsContact CD2-CD2 3.43Å; Y57-L99 HydrophobicContact CE1-CD2 3.35Å; Y57-L99 HydrophobicContact CE2-CD2 3.39Å; Y57-L99 HydrophobicContact CG-CD1 3.79Å; Y57-L99 HydrophobicContact CG-CD2 3.41Å; Y57-L99 VanDerWaalsContact CG-CD2 3.41Å; Y57-L99 HydrophobicContact CG-CG 4.27Å
58	P	68.7	Low	67.8	Low	94 Å²	94	69 Å²	69	61%	0.61	38%	0.382	S	S	*	.	H	α-helix	trans	-59.2	-29.2	-174.2	-22.3	31.9	0	0	0	113.2	N56 L60 N61 K62	N56-P58 WeakPolarHBondContact O-CD 3.14Å; P58-L60 VanDerWaalsContact C-N 3.32Å; P58-L60 PolarHBondContact O-N 2.86Å; P58-N61 CarbonylContact O-C 3.59Å; P58-N61 PolarHBondContact O-N 3.29Å; P58-K62 PolarHBondContact O-N 3.44Å
59	Q	68	Low	67.5	Low	113 Å²	113	66.3 Å²	66.3	53%	0.528	36%	0.361	S	S	.	.	H	α-helix	trans	-65.2	-37	-177.1	-41.2	-157.4	46	0	0	111.8	Y57 K92 Q95	Y57-Q59 PolarHBondContact O-N 2.84Å; Q59-K92 PolarHBondContact O-NZ 3.45Å; Q59-Q95 PolarHBondContact O-OE1 2.89Å
60	L	67.9	Low	66.8	Low	2 Å²	2	69.2 Å²	69.2	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-74	-34.7	174.7	-80.1	170.4	0	0	0	111.7	W3 Y57 P58 K62 K92 Q95 L96 L99	W3-L60 PolarHBondContact NE1-O 3.45Å; Y57-L60 PolarHBondContact O-N 3.45Å; Y57-L60 VanDerWaalsContact O-N 3.11Å; P58-L60 VanDerWaalsContact C-N 3.32Å; P58-L60 PolarHBondContact O-N 2.86Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.39Å; L60-K92 HydrophobicContact CD2-CD 4.43Å; L60-K92 PolarHBondContact O-NZ 2.88Å; L60-Q95 HydrophobicContact CD2-CB 4.04Å; L60-L96 HydrophobicContact CD1-CD1 3.75Å; L60-L96 HydrophobicContact CD2-CB 4.08Å; L60-L99 HydrophobicContact CD1-CD1 3.32Å; L60-L99 HydrophobicContact CG-CD1 3.84Å
61	N	66.1	Low	65.9	Low	65 Å²	65	72.8 Å²	72.8	35%	0.348	39%	0.385	S	S	.	.	H	α-helix	trans	-84.6	1.6	178.2	-75.9	-28.6	0	0	0	114.9	M1 S55 Y57 P58 S63	M1-N61 PolarHBondContact N-OD1 3.5Å; S55-N61 PolarHBondContact O-ND2 3.48Å; Y57-N61 PolarHBondContact O-N 3.29Å; P58-N61 CarbonylContact O-C 3.59Å; P58-N61 PolarHBondContact O-N 3.29Å; N61-S63 PolarHBondContact O-N 2.88Å
62	K	67.8	Low	64.8	Low	139 Å²	139	76.5 Å²	76.5	60%	0.604	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-55	128.4	171	-78.9	-174.1	178	-179.5	0	110.5	P58 L60 Y88 K92	P58-K62 PolarHBondContact O-N 3.44Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.39Å; K62-Y88 PolarHBondContact O-OH 3.18Å; K62-K92 PolarHBondContact O-NZ 2.99Å
63	S	64.7	Low	64	Low	104 Å²	104	77.8 Å²	77.8	73%	0.727	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-46.4	146.5	-179.6	-39.8	0	0	0	0	112	N61 P65	N61-S63 PolarHBondContact O-N 2.88Å; S63-P65 WeakPolarHBondContact O-CD 3.42Å
64	I	67.9	Low	62.8	Low	14 Å²	14	82.1 Å²	82.1	7%	0.072	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-61.8	125.8	170	-61.3	176	0	0	0	107.4	W3 K6 I68 I69 Y88	W3-I64 HydrophobicContact CB-CG1 4.21Å; W3-I64 WeakPolarHBondContact O-CD1 3.25Å; K6-I64 HydrophobicContact CB-CD1 3.51Å; K6-I64 HydrophobicContact CD-CD1 4.49Å; I64-I68 HydrophobicContact CG2-CB 3.69Å; I64-I68 HydrophobicContact CG2-CD1 4.35Å; I64-I68 HydrophobicContact CG2-CG2 3.63Å; I64-I69 HydrophobicContact CB-CD1 4.03Å; I64-I69 HydrophobicContact CB-CG1 4.23Å; I64-I69 HydrophobicContact CG2-CD1 4Å; I64-I69 HydrophobicContact CG2-CG1 3.64Å; I64-Y88 WeakPolarHBondContact CA-OH 3.4Å; I64-Y88 HydrophobicContact CG1-CE1 4.11Å
65	P	67.8	Low	61.9	Low	32 Å²	32	86.2 Å²	86.2	21%	0.208	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-57.3	139.3	175.8	-23.8	31.2	0	0	0	111.3	S63 F67 I68 Y88	S63-P65 WeakPolarHBondContact O-CD 3.42Å; P65-F67 HydrophobicContact CB-CD1 3.4Å; P65-F67 VanDerWaalsContact CB-CD1 3.4Å; P65-F67 HydrophobicContact CB-CE1 3.05Å; P65-F67 HydrophobicContact CB-CE2 4.32Å; P65-F67 HydrophobicContact CB-CG 4.2Å; P65-F67 HydrophobicContact CB-CZ 3.56Å; P65-F67 HydrophobicContact CG-CE1 3.74Å; P65-F67 HydrophobicContact CG-CZ 3.84Å; P65-F67 PolarHBondContact O-N 2.95Å; P65-F67 VanDerWaalsContact O-N 3.12Å; P65-I68 HydrophobicContact CG-CD1 4.28Å; P65-I68 WeakPolarHBondContact O-CB 3.45Å; P65-I68 PolarHBondContact O-N 3.28Å; P65-Y88 HydrophobicContact CG-CD2 4.11Å; P65-Y88 HydrophobicContact CG-CE2 3.96Å
66	P	63.8	Low	60.7	Low	89 Å²	89	86.3 Å²	86.3	58%	0.578	49%	0.487	S	S	*	.	H	α-helix	trans	-60.4	-27.2	-174.1	20.3	-30.7	0	0	0	113.8	I68 I69 N70	P66-I68 PolarHBondContact O-N 2.83Å; P66-I68 VanDerWaalsContact O-N 3.16Å; P66-I69 PolarHBondContact O-N 2.89Å; P66-N70 PolarHBondContact O-N 3.4Å; P66-N70 VanDerWaalsContact O-N 3.12Å
67	F	66	Low	59.7	Low	115 Å²	115	86.3 Å²	86.3	50%	0.504	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-14.6	175.4	66.7	-101.5	0	0	0	114.1	P65 E84	P65-F67 HydrophobicContact CB-CD1 3.4Å; P65-F67 VanDerWaalsContact CB-CD1 3.4Å; P65-F67 HydrophobicContact CB-CE1 3.05Å; P65-F67 HydrophobicContact CB-CE2 4.32Å; P65-F67 HydrophobicContact CB-CG 4.2Å; P65-F67 HydrophobicContact CB-CZ 3.56Å; P65-F67 HydrophobicContact CG-CE1 3.74Å; P65-F67 HydrophobicContact CG-CZ 3.84Å; P65-F67 PolarHBondContact O-N 2.95Å; P65-F67 VanDerWaalsContact O-N 3.12Å; F67-E84 HydrophobicContact CD2-CB 4.4Å; F67-E84 HydrophobicContact CE2-CB 4.09Å; F67-E84 HydrophobicContact CE2-CG 4.45Å
68	I	63.3	Low	58.9	Low	10 Å²	10	84.8 Å²	84.8	5%	0.051	49%	0.487	C	S	.	.	H	α-helix	trans	-90.7	-22.4	175.1	-62.4	-174.7	0	0	0	111.3	L10 I64 P65 P66 I85 Y88	L10-I68 VanDerWaalsContact CD2-O 3.32Å; L10-I68 WeakPolarHBondContact CD2-O 3.47Å; I64-I68 HydrophobicContact CG2-CB 3.69Å; I64-I68 HydrophobicContact CG2-CD1 4.35Å; I64-I68 HydrophobicContact CG2-CG2 3.63Å; P65-I68 HydrophobicContact CG-CD1 4.28Å; P65-I68 WeakPolarHBondContact O-CB 3.45Å; P65-I68 PolarHBondContact O-N 3.28Å; P66-I68 PolarHBondContact O-N 2.83Å; P66-I68 VanDerWaalsContact O-N 3.16Å; I68-I85 HydrophobicContact CG2-CD1 4.26Å; I68-I85 HydrophobicContact CG2-CG1 3.99Å; I68-Y88 HydrophobicContact CD1-CD1 3.99Å; I68-Y88 HydrophobicContact CD1-CD2 3.73Å; I68-Y88 HydrophobicContact CD1-CG 3.41Å; I68-Y88 VanDerWaalsContact CD1-CG 3.41Å
69	I	60	Low	58.3	Low	76 Å²	76	84.3 Å²	84.3	39%	0.39	48%	0.479	S	S	.	.	H	α-helix	trans	-96.2	-32.3	-170.6	-49.9	175.2	0	0	0	111.1	L10 I64 P66 D71	L10-I69 HydrophobicContact CD1-CB 4.33Å; L10-I69 HydrophobicContact CD1-CG2 3.92Å; I64-I69 HydrophobicContact CB-CD1 4.03Å; I64-I69 HydrophobicContact CB-CG1 4.23Å; I64-I69 HydrophobicContact CG2-CD1 4Å; I64-I69 HydrophobicContact CG2-CG1 3.64Å; P66-I69 PolarHBondContact O-N 2.89Å; I69-D71 PolarHBondContact O-N 3.34Å; I69-D71 VanDerWaalsContact O-N 3.11Å
70	N	53.2	Low	57.9	Low	106 Å²	106	83.5 Å²	83.5	57%	0.567	48%	0.478	S	S	*	.			trans	-80.9	95.2	178.5	-65.1	-15.9	0	0	0	108.4	P66 H72	P66-N70 PolarHBondContact O-N 3.4Å; P66-N70 VanDerWaalsContact O-N 3.12Å; N70-H72 PolarHBondContact O-N 3.45Å
71	D	51.6	Low	57.7	Low	88 Å²	88	86 Å²	86	47%	0.471	49%	0.492	S	S	.	.			trans	-54.2	98	153.8	-90.9	-51.1	0	0	0	105.2	K26 I69 D73	K26-D71 IonicContact NZ-OD1 2.74Å; K26-D71 PolarHBondContact NZ-OD1 3.46Å; I69-D71 PolarHBondContact O-N 3.34Å; I69-D71 VanDerWaalsContact O-N 3.11Å; D71-D73 VanDerWaalsContact C-N 3.34Å; D71-D73 PolarHBondContact O-N 3.07Å
72	H	47.7	Very low	57.5	Low	139 Å²	139	83.2 Å²	83.2	64%	0.644	48%	0.477	S	S	*	.			trans	-70	99.7	174.6	-124.9	-36.6	0	0	0	106.1	N70 D74	N70-H72 PolarHBondContact O-N 3.45Å; H72-D74 PolarHBondContact O-N 3.45Å
73	D	50.7	Low	57.7	Low	167 Å²	167	80.8 Å²	80.8	89%	0.893	47%	0.471	S	S	*	.			trans	-65.5	21.5	171.3	-158.2	20.7	0	0	0	112.4	D71	D71-D73 VanDerWaalsContact C-N 3.34Å; D71-D73 PolarHBondContact O-N 3.07Å
74	D	45.8	Very low	58.1	Low	129 Å²	129	78.2 Å²	78.2	69%	0.69	45%	0.447	S	S	*	.	S	Bend	trans	-131.3	75.4	-170.5	-154.9	14.7	0	0	0	109.3	H72 G76	H72-D74 PolarHBondContact O-N 3.45Å; D74-G76 PolarHBondContact O-N 2.93Å
75	G	47.6	Very low	58.3	Low	90 Å²	90	78.1 Å²	78.1	93%	0.928	45%	0.447	S	S	*	.	S	Bend	trans	55.4	7.9	158.9	0	0	0	0	0	119.2
76	G	44	Very low	58.5	Low	45 Å²	45	78 Å²	78	46%	0.464	44%	0.444	S	S	.	.			trans	-76.1	140.1	-175.4	0	0	0	0	0	112.3	D74 S78	D74-G76 PolarHBondContact O-N 2.93Å; G76-S78 PolarHBondContact O-N 3.42Å
77	D	51.9	Low	59.2	Low	124 Å²	124	79.7 Å²	79.7	66%	0.663	44%	0.442	S	S	*	.			trans	-53.5	97.8	-178.3	-167.8	-0.8	0	0	0	111.8	D79 N80	D77-D79 PolarHBondContact O-N 3.44Å; D77-N80 VanDerWaalsContact O-CB 3.29Å; D77-N80 WeakPolarHBondContact O-CB 3.34Å; D77-N80 PolarHBondContact O-N 3.3Å
78	S	53.2	Low	59.8	Low	39 Å²	39	75.5 Å²	75.5	27%	0.273	42%	0.423	S	S	.	.	H	α-helix	trans	-60.5	-15.1	-169.6	69.2	0	0	0	0	115	G76 N80	G76-S78 PolarHBondContact O-N 3.42Å; S78-N80 VanDerWaalsContact C-N 3.33Å
79	D	55.7	Low	60.4	Low	84 Å²	84	75.1 Å²	75.1	45%	0.449	42%	0.421	S	S	.	.	H	α-helix	trans	-72.9	-27.3	173.1	-94.8	-22.1	0	0	0	112.5	K29 D77 N83	K29-D79 IonicContact NZ-OD1 3.7Å; K29-D79 PolarHBondContact NZ-OD1 3.34Å; D77-D79 PolarHBondContact O-N 3.44Å; D79-N83 WeakPolarHBondContact O-CB 3.39Å; D79-N83 VanDerWaalsContact O-CG 3.29Å; D79-N83 PolarHBondContact O-N 3.01Å; D79-N83 PolarHBondContact O-ND2 3.12Å; D79-N83 VanDerWaalsContact O-ND2 3.09Å
80	N	60	Low	61.3	Low	96 Å²	96	79.3 Å²	79.3	51%	0.513	43%	0.432	S	S	.	.	H	α-helix	trans	-70.8	-44	179.7	-166.8	30.9	0	0	0	111.6	D77 S78 N83 E84	D77-N80 VanDerWaalsContact O-CB 3.29Å; D77-N80 WeakPolarHBondContact O-CB 3.34Å; D77-N80 PolarHBondContact O-N 3.3Å; S78-N80 VanDerWaalsContact C-N 3.33Å; N80-N83 PolarHBondContact O-N 3.32Å; N80-E84 PolarHBondContact O-N 3.39Å
81	D	62.3	Low	62.6	Low	56 Å²	56	78.6 Å²	78.6	30%	0.299	43%	0.429	S	S	.	.	H	α-helix	trans	-63.8	-49.9	-176.6	-67.8	-16.8	0	0	0	111.5	N83 E84 I85	D81-N83 VanDerWaalsContact C-N 3.29Å; D81-N83 PolarHBondContact O-N 3.43Å; D81-E84 PolarHBondContact O-N 3.03Å; D81-E84 VanDerWaalsContact O-N 3.07Å; D81-I85 VanDerWaalsContact O-CG1 3.29Å; D81-I85 WeakPolarHBondContact O-CG1 3.49Å; D81-I85 PolarHBondContact O-N 3.17Å
82	N	63.3	Low	63.8	Low	6 Å²	6	74.8 Å²	74.8	3%	0.032	41%	0.408	C	S	.	.	H	α-helix	trans	-61.7	-35.7	178.2	-76.1	-30.2	0	0	0	113	K29 N30 E84 I85 L86	K29-N82 HydrophobicContact CD-CB 4.27Å; N30-N82 PolarHBondContact OD1-OD1 2.94Å; N82-E84 VanDerWaalsContact C-N 3.34Å; N82-I85 PolarHBondContact O-N 3.49Å; N82-L86 WeakPolarHBondContact O-CB 3.37Å; N82-L86 PolarHBondContact O-N 2.77Å
83	N	71.3	Confident	65.2	Low	87 Å²	87	71.3 Å²	71.3	47%	0.465	39%	0.392	S	S	.	.	H	α-helix	trans	-65.2	-39.3	175.1	-83.7	-26.7	0	0	0	111.4	D79 N80 D81 L86 K87	D79-N83 WeakPolarHBondContact O-CB 3.39Å; D79-N83 VanDerWaalsContact O-CG 3.29Å; D79-N83 PolarHBondContact O-N 3.01Å; D79-N83 PolarHBondContact O-ND2 3.12Å; D79-N83 VanDerWaalsContact O-ND2 3.09Å; N80-N83 PolarHBondContact O-N 3.32Å; D81-N83 VanDerWaalsContact C-N 3.29Å; D81-N83 PolarHBondContact O-N 3.43Å; N83-L86 PolarHBondContact O-N 3.47Å; N83-K87 WeakPolarHBondContact O-CB 3.37Å; N83-K87 PolarHBondContact O-N 3.43Å
84	E	72.7	Confident	66.6	Low	50 Å²	50	70.3 Å²	70.3	23%	0.234	38%	0.38	C	S	.	.	H	α-helix	trans	-68.5	-37.4	175.8	-74.9	-61.4	137.2	0	0	112.1	F67 N80 D81 N82 K87 Y88	F67-E84 HydrophobicContact CD2-CB 4.4Å; F67-E84 HydrophobicContact CE2-CB 4.09Å; F67-E84 HydrophobicContact CE2-CG 4.45Å; N80-E84 PolarHBondContact O-N 3.39Å; D81-E84 PolarHBondContact O-N 3.03Å; D81-E84 VanDerWaalsContact O-N 3.07Å; N82-E84 VanDerWaalsContact C-N 3.34Å; E84-K87 PolarHBondContact O-N 3.43Å; E84-K87 WeakPolarHBondContact OE1-CD 3.35Å; E84-K87 IonicContact OE1-NZ 3.87Å; E84-K87 PolarHBondContact OE1-NZ 3.05Å; E84-K87 IonicContact OE2-NZ 2.66Å; E84-Y88 WeakPolarHBondContact O-CB 3.42Å; E84-Y88 PolarHBondContact O-N 3.02Å
85	I	72.1	Confident	68.1	Low	12 Å²	12	66.9 Å²	66.9	6%	0.062	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-48.8	171.3	-49.2	-161.2	0	0	0	110.6	L7 L10 I33 I68 D81 N82 K87 Y88 L89	L7-I85 HydrophobicContact CD2-CG2 3.93Å; L10-I85 HydrophobicContact CD2-CD1 3.94Å; I33-I85 HydrophobicContact CD1-CB 4.12Å; I33-I85 HydrophobicContact CD1-CG2 3.96Å; I33-I85 HydrophobicContact CG2-CG2 4.03Å; I68-I85 HydrophobicContact CG2-CD1 4.26Å; I68-I85 HydrophobicContact CG2-CG1 3.99Å; D81-I85 VanDerWaalsContact O-CG1 3.29Å; D81-I85 WeakPolarHBondContact O-CG1 3.49Å; D81-I85 PolarHBondContact O-N 3.17Å; N82-I85 PolarHBondContact O-N 3.49Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 3.11Å; I85-Y88 PolarHBondContact O-N 2.72Å; I85-L89 WeakPolarHBondContact O-CB 3.34Å; I85-L89 PolarHBondContact O-N 3.38Å
86	L	71.8	Confident	69.4	Low	30 Å²	30	63 Å²	63	16%	0.157	32%	0.318	C	S	.	.	H	α-helix	trans	-62.5	-39.7	178.4	-83.2	167.7	0	0	0	112.1	I33 N82 N83 L89 R90	I33-L86 HydrophobicContact CD1-CD2 4.37Å; I33-L86 HydrophobicContact CD1-CG 4.02Å; I33-L86 HydrophobicContact CG1-CD2 3.61Å; I33-L86 HydrophobicContact CG1-CG 3.82Å; N82-L86 WeakPolarHBondContact O-CB 3.37Å; N82-L86 PolarHBondContact O-N 2.77Å; N83-L86 PolarHBondContact O-N 3.47Å; L86-L89 PolarHBondContact O-N 3.2Å; L86-R90 WeakPolarHBondContact O-CB 3.11Å; L86-R90 WeakPolarHBondContact O-CG 3.26Å; L86-R90 PolarHBondContact O-N 3.4Å
87	K	79.4	Confident	71	Confident	124 Å²	124	66.7 Å²	66.7	54%	0.539	32%	0.321	S	S	.	.	H	α-helix	trans	-64.9	-44.1	177.1	-176	177.1	170.3	-168	0	110.6	N83 E84 I85 R90 N91	N83-K87 WeakPolarHBondContact O-CB 3.37Å; N83-K87 PolarHBondContact O-N 3.43Å; E84-K87 PolarHBondContact O-N 3.43Å; E84-K87 WeakPolarHBondContact OE1-CD 3.35Å; E84-K87 IonicContact OE1-NZ 3.87Å; E84-K87 PolarHBondContact OE1-NZ 3.05Å; E84-K87 IonicContact OE2-NZ 2.66Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 3.11Å; K87-R90 PolarHBondContact O-N 2.93Å; K87-N91 WeakPolarHBondContact O-CB 3.5Å; K87-N91 PolarHBondContact O-N 3.04Å
88	Y	78.1	Confident	72.3	Confident	27 Å²	27	63.9 Å²	63.9	11%	0.106	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-47.9	173.8	179.8	-97.8	0	0	0	112	W3 L7 K62 I64 P65 I68 E84 I85 R90 N91 K92	W3-Y88 HydrophobicContact CE3-CE1 4.11Å; L7-Y88 HydrophobicContact CD1-CD1 3.94Å; L7-Y88 HydrophobicContact CD1-CE1 3.97Å; K62-Y88 PolarHBondContact O-OH 3.18Å; I64-Y88 WeakPolarHBondContact CA-OH 3.4Å; I64-Y88 HydrophobicContact CG1-CE1 4.11Å; P65-Y88 HydrophobicContact CG-CD2 4.11Å; P65-Y88 HydrophobicContact CG-CE2 3.96Å; I68-Y88 HydrophobicContact CD1-CD1 3.99Å; I68-Y88 HydrophobicContact CD1-CD2 3.73Å; I68-Y88 HydrophobicContact CD1-CG 3.41Å; I68-Y88 VanDerWaalsContact CD1-CG 3.41Å; E84-Y88 WeakPolarHBondContact O-CB 3.42Å; E84-Y88 PolarHBondContact O-N 3.02Å; I85-Y88 PolarHBondContact O-N 2.72Å; Y88-R90 PolarHBondContact O-N 3.42Å; Y88-N91 PolarHBondContact O-N 2.73Å; Y88-N91 VanDerWaalsContact O-N 3.11Å; Y88-K92 HydrophobicContact CD1-CG 4.28Å; Y88-K92 HydrophobicContact CE1-CG 3.89Å; Y88-K92 HydrophobicContact CE2-CG 4.39Å; Y88-K92 WeakPolarHBondContact O-CG 3.5Å; Y88-K92 PolarHBondContact O-N 3.32Å; Y88-K92 WeakPolarHBondContact OH-CE 3.44Å
89	L	76.4	Confident	73.3	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-57.8	-48.7	177.4	-167.3	89.3	0	0	0	111	L7 I36 A37 I85 L86 N91 K92 M93	L7-L89 HydrophobicContact CD1-CD1 3.89Å; L7-L89 HydrophobicContact CD2-CD1 4.02Å; I36-L89 HydrophobicContact CB-CD2 3.89Å; I36-L89 HydrophobicContact CD1-CD2 4.38Å; I36-L89 HydrophobicContact CG2-CD2 3.54Å; A37-L89 HydrophobicContact CB-CD1 4.19Å; I85-L89 WeakPolarHBondContact O-CB 3.34Å; I85-L89 PolarHBondContact O-N 3.38Å; L86-L89 PolarHBondContact O-N 3.2Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 3.03Å; L89-K92 PolarHBondContact O-N 2.93Å; L89-M93 HydrophobicContact CD2-SD 4.3Å; L89-M93 HydrophobicContact CG-SD 4.33Å; L89-M93 WeakPolarHBondContact O-CB 3.44Å; L89-M93 WeakPolarHBondContact O-CG 3.49Å; L89-M93 PolarHBondContact O-N 3.23Å
90	R	78.2	Confident	74.2	Confident	165 Å²	165	60 Å²	60	62%	0.623	29%	0.287	S	S	*	.	H	α-helix	trans	-59.5	-40.7	175.2	-81.1	179.5	178.2	163.6	0.7	111.8	L86 K87 Y88 M93 K94	L86-R90 WeakPolarHBondContact O-CB 3.11Å; L86-R90 WeakPolarHBondContact O-CG 3.26Å; L86-R90 PolarHBondContact O-N 3.4Å; K87-R90 PolarHBondContact O-N 2.93Å; Y88-R90 PolarHBondContact O-N 3.42Å; R90-M93 PolarHBondContact O-N 2.99Å; R90-K94 WeakPolarHBondContact O-CB 3.46Å; R90-K94 WeakPolarHBondContact O-CG 3.42Å; R90-K94 PolarHBondContact O-N 2.79Å
91	N	81.6	Confident	74.9	Confident	91 Å²	91	58.6 Å²	58.6	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-67.3	-41.5	-179.6	-142.9	20.4	0	0	0	111.2	K87 Y88 L89 K94 Q95	K87-N91 WeakPolarHBondContact O-CB 3.5Å; K87-N91 PolarHBondContact O-N 3.04Å; Y88-N91 PolarHBondContact O-N 2.73Å; Y88-N91 VanDerWaalsContact O-N 3.11Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 3.03Å; N91-K94 PolarHBondContact O-N 3.08Å; N91-Q95 WeakPolarHBondContact O-CG 3.38Å; N91-Q95 PolarHBondContact O-N 3.39Å
92	K	76.2	Confident	75.4	Confident	7 Å²	7	59.4 Å²	59.4	3%	0.03	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-41.9	173.4	-72	-70.1	-174.1	175.2	0	112.3	W3 Q59 L60 K62 Y88 L89 K94 Q95 L96	W3-K92 HydrophobicContact CD2-CD 4.32Å; W3-K92 HydrophobicContact CD2-CG 4.44Å; W3-K92 HydrophobicContact CE3-CB 4.41Å; W3-K92 HydrophobicContact CE3-CD 4.37Å; W3-K92 HydrophobicContact CE3-CG 4Å; W3-K92 HydrophobicContact CH2-CB 3.36Å; W3-K92 HydrophobicContact CH2-CD 4.38Å; W3-K92 HydrophobicContact CH2-CG 3.86Å; W3-K92 HydrophobicContact CZ2-CB 3.95Å; W3-K92 HydrophobicContact CZ2-CD 4.33Å; W3-K92 HydrophobicContact CZ2-CG 4.31Å; W3-K92 HydrophobicContact CZ3-CB 3.62Å; W3-K92 HydrophobicContact CZ3-CD 4.39Å; W3-K92 HydrophobicContact CZ3-CG 3.68Å; Q59-K92 PolarHBondContact O-NZ 3.45Å; L60-K92 HydrophobicContact CD2-CD 4.43Å; L60-K92 PolarHBondContact O-NZ 2.88Å; K62-K92 PolarHBondContact O-NZ 2.99Å; Y88-K92 HydrophobicContact CD1-CG 4.28Å; Y88-K92 HydrophobicContact CE1-CG 3.89Å; Y88-K92 HydrophobicContact CE2-CG 4.39Å; Y88-K92 WeakPolarHBondContact O-CG 3.5Å; Y88-K92 PolarHBondContact O-N 3.32Å; Y88-K92 WeakPolarHBondContact OH-CE 3.44Å; L89-K92 PolarHBondContact O-N 2.93Å; K92-K94 VanDerWaalsContact C-N 3.35Å; K92-K94 PolarHBondContact O-N 3.41Å; K92-Q95 PolarHBondContact O-N 2.98Å; K92-L96 WeakPolarHBondContact O-CB 3.19Å; K92-L96 PolarHBondContact O-N 3.36Å
93	M	76.7	Confident	75.7	Confident	66 Å²	66	62.6 Å²	62.6	33%	0.325	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-40.9	173.3	-77.1	169.9	36.2	0	0	112.3	I36 L40 L89 R90 L96 K97	I36-M93 HydrophobicContact CG2-SD 3.6Å; L40-M93 HydrophobicContact CD1-CG 4.11Å; L40-M93 HydrophobicContact CD2-CG 4.16Å; L89-M93 HydrophobicContact CD2-SD 4.3Å; L89-M93 HydrophobicContact CG-SD 4.33Å; L89-M93 WeakPolarHBondContact O-CB 3.44Å; L89-M93 WeakPolarHBondContact O-CG 3.49Å; L89-M93 PolarHBondContact O-N 3.23Å; R90-M93 PolarHBondContact O-N 2.99Å; M93-L96 PolarHBondContact O-N 3.48Å; M93-K97 WeakPolarHBondContact O-CB 3.49Å; M93-K97 PolarHBondContact O-N 3.35Å
94	K	79.7	Confident	75.6	Confident	147 Å²	147	62.7 Å²	62.7	64%	0.639	30%	0.298	S	S	*	.	H	α-helix	trans	-63.3	-42.8	174.8	-78.1	179.3	178.4	-176	0	111.8	R90 N91 K92 L96 K97 S98	R90-K94 WeakPolarHBondContact O-CB 3.46Å; R90-K94 WeakPolarHBondContact O-CG 3.42Å; R90-K94 PolarHBondContact O-N 2.79Å; N91-K94 PolarHBondContact O-N 3.08Å; K92-K94 VanDerWaalsContact C-N 3.35Å; K92-K94 PolarHBondContact O-N 3.41Å; K94-L96 VanDerWaalsContact C-N 3.35Å; K94-K97 PolarHBondContact O-N 3.43Å; K94-S98 WeakPolarHBondContact O-CB 3.48Å; K94-S98 PolarHBondContact O-N 2.83Å
95	Q	78.3	Confident	75.3	Confident	57 Å²	57	64.9 Å²	64.9	27%	0.266	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-45.1	174.9	-72.4	172.9	-1.2	0	0	111.2	Q59 L60 N91 K92 S98 L99	Q59-Q95 PolarHBondContact O-OE1 2.89Å; L60-Q95 HydrophobicContact CD2-CB 4.04Å; N91-Q95 WeakPolarHBondContact O-CG 3.38Å; N91-Q95 PolarHBondContact O-N 3.39Å; K92-Q95 PolarHBondContact O-N 2.98Å; Q95-S98 PolarHBondContact O-N 3.43Å; Q95-L99 WeakPolarHBondContact O-CB 3.35Å; Q95-L99 PolarHBondContact O-N 3.11Å
96	L	75.6	Confident	74.8	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-43.9	177.1	-175.4	69.6	0	0	0	111.7	L40 L44 L60 K92 M93 K94 L99 L100	L40-L96 HydrophobicContact CD1-CD2 3.87Å; L40-L96 HydrophobicContact CD2-CD2 4.17Å; L40-L96 HydrophobicContact CG-CD2 4.11Å; L44-L96 HydrophobicContact CD1-CD2 4.09Å; L44-L96 HydrophobicContact CD2-CD1 3.97Å; L44-L96 HydrophobicContact CD2-CD2 3.94Å; L44-L96 HydrophobicContact CG-CD2 4.2Å; L60-L96 HydrophobicContact CD1-CD1 3.75Å; L60-L96 HydrophobicContact CD2-CB 4.08Å; K92-L96 WeakPolarHBondContact O-CB 3.19Å; K92-L96 PolarHBondContact O-N 3.36Å; M93-L96 PolarHBondContact O-N 3.48Å; K94-L96 VanDerWaalsContact C-N 3.35Å; L96-L99 WeakPolarHBondContact O-CB 3.36Å; L96-L99 PolarHBondContact O-N 3.25Å; L96-L100 HydrophobicContact CG-CD1 4.14Å; L96-L100 WeakPolarHBondContact O-CB 3.32Å; L96-L100 WeakPolarHBondContact O-CG 3.48Å; L96-L100 PolarHBondContact O-N 3.29Å
97	K	76.5	Confident	74.4	Confident	124 Å²	124	72.5 Å²	72.5	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-46.8	176	-176.6	-179.1	-177.9	-63.9	0	111.3	M93 K94 L99 L100 D101	M93-K97 WeakPolarHBondContact O-CB 3.49Å; M93-K97 PolarHBondContact O-N 3.35Å; K94-K97 PolarHBondContact O-N 3.43Å; K97-L99 PolarHBondContact O-N 2.85Å; K97-L100 WeakPolarHBondContact O-CB 3.44Å; K97-L100 PolarHBondContact O-N 2.85Å; K97-D101 IonicContact NZ-OD1 3.22Å; K97-D101 IonicContact NZ-OD2 2.84Å; K97-D101 PolarHBondContact NZ-OD2 3.16Å; K97-D101 WeakPolarHBondContact O-CB 3.14Å; K97-D101 VanDerWaalsContact O-CG 3.3Å; K97-D101 PolarHBondContact O-N 2.93Å
98	S	79.2	Confident	73.7	Confident	64 Å²	64	72.8 Å²	72.8	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-59.1	-37.7	177	-173.9	0	0	0	0	111.6	K94 Q95 I102	K94-S98 WeakPolarHBondContact O-CB 3.48Å; K94-S98 PolarHBondContact O-N 2.83Å; Q95-S98 PolarHBondContact O-N 3.43Å; S98-I102 WeakPolarHBondContact O-CD1 3.39Å; S98-I102 VanDerWaalsContact O-CG1 3.24Å; S98-I102 WeakPolarHBondContact O-CG1 3.01Å; S98-I102 PolarHBondContact O-N 3.47Å
99	L	73.4	Confident	72.9	Confident	12 Å²	12	75.7 Å²	75.7	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-68.3	-43.3	177.6	-90.4	164.6	0	0	0	112.6	F53 Y57 L60 Q95 L96 K97 I102 H103	F53-L99 HydrophobicContact CE1-CB 3.95Å; F53-L99 HydrophobicContact CE1-CD2 3.75Å; F53-L99 HydrophobicContact CE1-CG 4.46Å; F53-L99 WeakPolarHBondContact CE1-O 3.35Å; F53-L99 HydrophobicContact CZ-CD2 4.16Å; Y57-L99 HydrophobicContact CD1-CD1 4.14Å; Y57-L99 HydrophobicContact CD1-CD2 3.4Å; Y57-L99 HydrophobicContact CD1-CG 4.36Å; Y57-L99 HydrophobicContact CD2-CD1 4.29Å; Y57-L99 HydrophobicContact CD2-CD2 3.43Å; Y57-L99 VanDerWaalsContact CD2-CD2 3.43Å; Y57-L99 HydrophobicContact CE1-CD2 3.35Å; Y57-L99 HydrophobicContact CE2-CD2 3.39Å; Y57-L99 HydrophobicContact CG-CD1 3.79Å; Y57-L99 HydrophobicContact CG-CD2 3.41Å; Y57-L99 VanDerWaalsContact CG-CD2 3.41Å; Y57-L99 HydrophobicContact CG-CG 4.27Å; L60-L99 HydrophobicContact CD1-CD1 3.32Å; L60-L99 HydrophobicContact CG-CD1 3.84Å; Q95-L99 WeakPolarHBondContact O-CB 3.35Å; Q95-L99 PolarHBondContact O-N 3.11Å; L96-L99 WeakPolarHBondContact O-CB 3.36Å; L96-L99 PolarHBondContact O-N 3.25Å; K97-L99 PolarHBondContact O-N 2.85Å; L99-I102 PolarHBondContact O-N 3.27Å; L99-H103 PolarHBondContact O-N 3.03Å
100	L	74.6	Confident	72.1	Confident	31 Å²	31	80.3 Å²	80.3	16%	0.162	39%	0.387	C	S	.	.	H	α-helix	trans	-60.7	-45.2	173.1	-84	165.4	0	0	0	112.3	Y43 L50 L96 K97 I102 H103 L104	Y43-L100 HydrophobicContact CE1-CD1 4.21Å; L50-L100 HydrophobicContact CD1-CD2 3.66Å; L50-L100 HydrophobicContact CD2-CD2 3.28Å; L50-L100 HydrophobicContact CD2-CG 4.29Å; L50-L100 HydrophobicContact CG-CD2 4.14Å; L96-L100 HydrophobicContact CG-CD1 4.14Å; L96-L100 WeakPolarHBondContact O-CB 3.32Å; L96-L100 WeakPolarHBondContact O-CG 3.48Å; L96-L100 PolarHBondContact O-N 3.29Å; K97-L100 WeakPolarHBondContact O-CB 3.44Å; K97-L100 PolarHBondContact O-N 2.85Å; L100-I102 VanDerWaalsContact C-N 3.33Å; L100-I102 PolarHBondContact O-N 3.14Å; L100-H103 PolarHBondContact O-N 3.32Å; L100-L104 WeakPolarHBondContact O-CB 3.44Å; L100-L104 PolarHBondContact O-N 3.3Å
101	D	75.4	Confident	71.3	Confident	66 Å²	66	76.8 Å²	76.8	35%	0.353	38%	0.381	S	S	.	.	H	α-helix	trans	-60.9	-43.2	177.7	-72.1	-25.1	0	0	0	110.4	K97 L104 I105	K97-D101 IonicContact NZ-OD1 3.22Å; K97-D101 IonicContact NZ-OD2 2.84Å; K97-D101 PolarHBondContact NZ-OD2 3.16Å; K97-D101 WeakPolarHBondContact O-CB 3.14Å; K97-D101 VanDerWaalsContact O-CG 3.3Å; K97-D101 PolarHBondContact O-N 2.93Å; D101-L104 PolarHBondContact O-N 3.34Å; D101-I105 WeakPolarHBondContact O-CD1 3.46Å; D101-I105 WeakPolarHBondContact O-CG1 3.48Å; D101-I105 PolarHBondContact O-N 3.29Å
102	I	72.6	Confident	70.2	Confident	72 Å²	72	81.3 Å²	81.3	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-61.3	-46	174.5	-68.8	163.4	0	0	0	111	S98 L99 L100 L104 I105 E106	S98-I102 WeakPolarHBondContact O-CD1 3.39Å; S98-I102 VanDerWaalsContact O-CG1 3.24Å; S98-I102 WeakPolarHBondContact O-CG1 3.01Å; S98-I102 PolarHBondContact O-N 3.47Å; L99-I102 PolarHBondContact O-N 3.27Å; L100-I102 VanDerWaalsContact C-N 3.33Å; L100-I102 PolarHBondContact O-N 3.14Å; I102-L104 PolarHBondContact O-N 3.05Å; I102-I105 WeakPolarHBondContact O-CB 3.41Å; I102-I105 PolarHBondContact O-N 3.31Å; I102-I105 VanDerWaalsContact O-N 3.13Å; I102-E106 HydrophobicContact CG2-CG 4.45Å; I102-E106 PolarHBondContact O-N 3.41Å
103	H	70	Confident	69.2	Low	74 Å²	74	87.2 Å²	87.2	34%	0.343	42%	0.423	S	S	.	.	H	α-helix	trans	-62.4	-43.1	-179.5	-168	58.8	0	0	0	112.5	F53 L99 L100 I105 E106 E107	F53-H103 AromaticContact CD2-ND1 3.96Å; F53-H103 HydrophobicContact CE1-CB 4.09Å; F53-H103 HydrophobicContact CE2-CB 4.24Å; F53-H103 AromaticContact CE2-ND1 3.51Å; F53-H103 HydrophobicContact CZ-CB 3.78Å; F53-H103 AromaticContact CZ-ND1 3.96Å; L99-H103 PolarHBondContact O-N 3.03Å; L100-H103 PolarHBondContact O-N 3.32Å; H103-I105 VanDerWaalsContact C-N 3.27Å; H103-I105 PolarHBondContact O-N 2.66Å; H103-E106 PolarHBondContact O-N 3.09Å; H103-E107 PolarHBondContact O-N 3.47Å
104	L	70.2	Confident	68.2	Low	88 Å²	88	89.4 Å²	89.4	46%	0.461	44%	0.44	S	S	.	.	H	α-helix	trans	-62	-34.8	174.2	-107.9	153.2	0	0	0	112.5	L100 D101 I102 K108	L100-L104 WeakPolarHBondContact O-CB 3.44Å; L100-L104 PolarHBondContact O-N 3.3Å; D101-L104 PolarHBondContact O-N 3.34Å; I102-L104 PolarHBondContact O-N 3.05Å; L104-K108 WeakPolarHBondContact O-CG 3.34Å; L104-K108 PolarHBondContact O-N 3.07Å
105	I	64.5	Low	66.7	Low	96 Å²	96	93.9 Å²	93.9	49%	0.492	46%	0.46	S	S	.	.	H	α-helix	trans	-70.7	-45.2	175.3	-69.8	163.9	0	0	0	110.5	D101 I102 H103 E107 K108 I109	D101-I105 WeakPolarHBondContact O-CD1 3.46Å; D101-I105 WeakPolarHBondContact O-CG1 3.48Å; D101-I105 PolarHBondContact O-N 3.29Å; I102-I105 WeakPolarHBondContact O-CB 3.41Å; I102-I105 PolarHBondContact O-N 3.31Å; I102-I105 VanDerWaalsContact O-N 3.13Å; H103-I105 VanDerWaalsContact C-N 3.27Å; H103-I105 PolarHBondContact O-N 2.66Å; I105-E107 VanDerWaalsContact C-N 3.35Å; I105-E107 PolarHBondContact O-N 2.7Å; I105-K108 PolarHBondContact O-N 3.22Å; I105-I109 HydrophobicContact CG2-CD1 3.68Å; I105-I109 HydrophobicContact CG2-CG1 4.32Å; I105-I109 WeakPolarHBondContact O-CG1 3.17Å; I105-I109 PolarHBondContact O-N 2.96Å
106	E	62.1	Low	66.1	Low	93 Å²	93	95.7 Å²	95.7	44%	0.435	47%	0.47	S	S	.	.	H	α-helix	trans	-58.8	-44.9	176.6	-77.2	-178.2	155.6	0	0	111.8	I102 H103 K108 I109 N110	I102-E106 HydrophobicContact CG2-CG 4.45Å; I102-E106 PolarHBondContact O-N 3.41Å; H103-E106 PolarHBondContact O-N 3.09Å; E106-K108 PolarHBondContact O-N 2.97Å; E106-I109 PolarHBondContact O-N 3.12Å; E106-N110 WeakPolarHBondContact O-CB 3.37Å; E106-N110 PolarHBondContact O-N 3.27Å
107	E	64.5	Low	65.6	Low	110 Å²	110	100.4 Å²	100.4	51%	0.514	49%	0.493	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.5	-168.6	-175.3	-163.2	0	0	111.6	H103 I105 N110 N111	H103-E107 PolarHBondContact O-N 3.47Å; I105-E107 VanDerWaalsContact C-N 3.35Å; I105-E107 PolarHBondContact O-N 2.7Å; E107-N110 PolarHBondContact O-N 2.77Å; E107-N111 PolarHBondContact O-N 3.08Å
108	K	63.1	Low	65	Low	129 Å²	129	99.1 Å²	99.1	56%	0.561	49%	0.49	S	S	*	.	H	α-helix	trans	-61.6	-47.1	174.8	-79.6	-179.5	178.8	-180	0	111.8	L104 I105 E106 N110 N111 Y112	L104-K108 WeakPolarHBondContact O-CG 3.34Å; L104-K108 PolarHBondContact O-N 3.07Å; I105-K108 PolarHBondContact O-N 3.22Å; E106-K108 PolarHBondContact O-N 2.97Å; K108-N110 VanDerWaalsContact C-N 3.35Å; K108-N110 PolarHBondContact O-N 3.11Å; K108-N111 PolarHBondContact O-N 3.04Å; K108-Y112 WeakPolarHBondContact O-CD2 3.4Å; K108-Y112 PolarHBondContact O-N 3.16Å
109	I	62.4	Low	64.2	Low	88 Å²	88	101.1 Å²	101.1	45%	0.451	49%	0.493	S	S	.	.	H	α-helix	trans	-61.9	-43.7	179.4	-70.5	171.3	0	0	0	110.7	I105 E106 N111 Y112 L113	I105-I109 HydrophobicContact CG2-CD1 3.68Å; I105-I109 HydrophobicContact CG2-CG1 4.32Å; I105-I109 WeakPolarHBondContact O-CG1 3.17Å; I105-I109 PolarHBondContact O-N 2.96Å; E106-I109 PolarHBondContact O-N 3.12Å; I109-N111 VanDerWaalsContact C-N 3.32Å; I109-N111 PolarHBondContact O-N 2.98Å; I109-Y112 CarbonylContact O-C 3.53Å; I109-Y112 PolarHBondContact O-N 2.84Å; I109-Y112 VanDerWaalsContact O-N 3.08Å; I109-L113 HydrophobicContact CG2-CD1 3.74Å; I109-L113 HydrophobicContact CG2-CG 4.27Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 2.95Å
110	N	59.7	Low	63.6	Low	99 Å²	99	106.7 Å²	106.7	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-62.2	-39.8	177.3	-83.8	-17.6	0	0	0	112.2	E106 E107 K108 Y112 L113 T114	E106-N110 WeakPolarHBondContact O-CB 3.37Å; E106-N110 PolarHBondContact O-N 3.27Å; E107-N110 PolarHBondContact O-N 2.77Å; K108-N110 VanDerWaalsContact C-N 3.35Å; K108-N110 PolarHBondContact O-N 3.11Å; N110-Y112 VanDerWaalsContact C-N 3.34Å; N110-L113 PolarHBondContact O-N 2.86Å; N110-T114 PolarHBondContact O-N 3.12Å; N110-T114 VanDerWaalsContact O-N 3.16Å; N110-T114 PolarHBondContact O-OG1 2.88Å
111	N	61.7	Low	62.9	Low	91 Å²	91	111.7 Å²	111.7	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-62.3	-41.3	171.9	-78.7	-26.3	0	0	0	111.4	E107 K108 I109 L113 T114 F115	E107-N111 PolarHBondContact O-N 3.08Å; K108-N111 PolarHBondContact O-N 3.04Å; I109-N111 VanDerWaalsContact C-N 3.32Å; I109-N111 PolarHBondContact O-N 2.98Å; N111-L113 VanDerWaalsContact C-N 3.3Å; N111-L113 PolarHBondContact O-N 2.86Å; N111-T114 PolarHBondContact O-N 2.7Å; N111-T114 PolarHBondContact O-OG1 2.86Å; N111-F115 VanDerWaalsContact O-CD2 3.25Å; N111-F115 WeakPolarHBondContact O-CD2 3.29Å
112	Y	58.9	Low	62	Low	187 Å²	187	115 Å²	115	73%	0.733	56%	0.557	S	S	*	*	H	α-helix	trans	-67.5	-26.2	175.9	-81.7	-70.6	0	0	0	114.4	K108 I109 N110	K108-Y112 WeakPolarHBondContact O-CD2 3.4Å; K108-Y112 PolarHBondContact O-N 3.16Å; I109-Y112 CarbonylContact O-C 3.53Å; I109-Y112 PolarHBondContact O-N 2.84Å; I109-Y112 VanDerWaalsContact O-N 3.08Å; N110-Y112 VanDerWaalsContact C-N 3.34Å
113	L	54.3	Low	61.1	Low	130 Å²	130	118.3 Å²	118.3	68%	0.681	57%	0.572	S	S	*	*	H	α-helix	trans	-86.3	-11.9	178.5	-70.9	170.5	0	0	0	113.5	I109 N110 N111	I109-L113 HydrophobicContact CG2-CD1 3.74Å; I109-L113 HydrophobicContact CG2-CG 4.27Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 2.95Å; N110-L113 PolarHBondContact O-N 2.86Å; N111-L113 VanDerWaalsContact C-N 3.3Å; N111-L113 PolarHBondContact O-N 2.86Å
114	T	56.8	Low	60.4	Low	112 Å²	112	122 Å²	122	69%	0.687	59%	0.591	S	S	*	*			trans	-100.1	1.6	178.8	36.2	0	0	0	0	114	N110 N111	N110-T114 PolarHBondContact O-N 3.12Å; N110-T114 VanDerWaalsContact O-N 3.16Å; N110-T114 PolarHBondContact O-OG1 2.88Å; N111-T114 PolarHBondContact O-N 2.7Å; N111-T114 PolarHBondContact O-OG1 2.86Å
115	F	46.7	Very low	59.5	Low	241 Å²	241	125.1 Å²	125.1	100%	1.057	60%	0.602	S	S	*	*			trans	-106.2	0	167.2	-76.7	-78.9	0	0	0	111	N111	N111-F115 VanDerWaalsContact O-CD2 3.25Å; N111-F115 WeakPolarHBondContact O-CD2 3.29Å

Retrieved 115 of 115 residues in 27.8 ms (Link to these results)

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