A0A075B731_HUMAN Loading...

Modulator of smoothened

AlphaFold DB , UniProt , Accession A0A075B731, Species HUMAN (Homo sapiens, Human), Gene MOSMO, Length 114 aa.

						>A0A075B731_HUMAN|A0A075B731|MOSMO
MDKLTIISGCLFLAADIFAIASIANPDWINTGESAGALTVGLVRQCQTIHGRDRTCIPPRLPPEWVTTLFFIIMGIISLTVTCGLLVASHWRREATKYARWIAFTGKCVHSSHT
					

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(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	55	Low	72.6	Confident	88 Å²	88	92.6 Å²	92.6	43%	0.433	50%	0.499	S	S	.	.				0	117.5	0	-159.6	74.9	76.7	0	0	104.9	K3 H90 E94	M1-K3 PolarHBondContact O-N 3.38Å; M1-H90 WeakPolarHBondContact CE-CD2 3.47Å; M1-H90 WeakPolarHBondContact CE-NE2 3.08Å; M1-E94 HydrophobicContact CE-CG 4.05Å; M1-E94 WeakPolarHBondContact CE-OE1 3.41Å
2	D	67.4	Low	73	Confident	104 Å²	104	91.4 Å²	91.4	56%	0.556	49%	0.486	S	S	*	.			trans	-66	127.9	-169.6	-56.9	-74.5	0	0	0	110	L4 T5	D2-L4 PolarHBondContact O-N 3.22Å; D2-T5 PolarHBondContact O-N 3.42Å
3	K	69.5	Low	73.1	Confident	173 Å²	173	91.8 Å²	91.8	75%	0.752	49%	0.487	S	S	*	.	H	α-helix	trans	-49.3	-29.6	176.9	-81	175	175.9	171.5	0	111.9	M1 T5 I6 I7	M1-K3 PolarHBondContact O-N 3.38Å; K3-T5 VanDerWaalsContact C-N 3.35Å; K3-T5 PolarHBondContact O-N 3.19Å; K3-I6 PolarHBondContact O-N 3Å; K3-I7 HydrophobicContact CB-CD1 4.43Å; K3-I7 WeakPolarHBondContact O-CD1 3.29Å; K3-I7 VanDerWaalsContact O-CG1 3.23Å; K3-I7 WeakPolarHBondContact O-CG1 3.19Å; K3-I7 PolarHBondContact O-N 3.34Å
4	L	75.4	Confident	73.4	Confident	135 Å²	135	88 Å²	88	71%	0.707	48%	0.476	S	S	*	.	H	α-helix	trans	-58.8	-38.8	175.9	-73.4	99.1	0	0	0	113.7	D2 I7 S8	D2-L4 PolarHBondContact O-N 3.22Å; L4-I7 PolarHBondContact O-N 3.31Å; L4-S8 VanDerWaalsContact O-CB 3.23Å; L4-S8 WeakPolarHBondContact O-CB 3.46Å; L4-S8 PolarHBondContact O-N 3.3Å
5	T	71.1	Confident	73.7	Confident	64 Å²	64	85.3 Å²	85.3	39%	0.393	47%	0.47	S	S	.	.	H	α-helix	trans	-70.1	-35.8	-178.6	-49.8	0	0	0	0	111.7	D2 K3 G9	D2-T5 PolarHBondContact O-N 3.42Å; K3-T5 VanDerWaalsContact C-N 3.35Å; K3-T5 PolarHBondContact O-N 3.19Å; T5-G9 PolarHBondContact O-N 3.5Å
6	I	71.8	Confident	73.5	Confident	100 Å²	100	81.2 Å²	81.2	51%	0.513	45%	0.447	S	S	.	.	H	α-helix	trans	-69.2	-46.7	175.8	-61.7	173.8	0	0	0	110	K3 S8 G9 C10	K3-I6 PolarHBondContact O-N 3Å; I6-S8 VanDerWaalsContact C-N 3.33Å; I6-S8 PolarHBondContact O-N 3.45Å; I6-G9 PolarHBondContact O-N 3.48Å; I6-C10 PolarHBondContact O-N 3.11Å; I6-C10 PolarHBondContact O-SG 2.87Å
7	I	78.5	Confident	73.6	Confident	100 Å²	100	82.8 Å²	82.8	51%	0.513	45%	0.454	S	S	.	.	H	α-helix	trans	-60.1	-45.2	177.9	-66.8	163.6	0	0	0	110.5	K3 L4 C10 L11	K3-I7 HydrophobicContact CB-CD1 4.43Å; K3-I7 WeakPolarHBondContact O-CD1 3.29Å; K3-I7 VanDerWaalsContact O-CG1 3.23Å; K3-I7 WeakPolarHBondContact O-CG1 3.19Å; K3-I7 PolarHBondContact O-N 3.34Å; L4-I7 PolarHBondContact O-N 3.31Å; I7-C10 PolarHBondContact O-N 3.43Å; I7-L11 HydrophobicContact CG2-CD1 3.72Å; I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 WeakPolarHBondContact O-CD1 3.43Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 3.09Å
8	S	77.3	Confident	73.5	Confident	45 Å²	45	86.4 Å²	86.4	32%	0.315	46%	0.464	S	S	.	.	H	α-helix	trans	-61.1	-45.5	175.5	175.7	0	0	0	0	111.9	L4 I6 C10 L11 F12	L4-S8 VanDerWaalsContact O-CB 3.23Å; L4-S8 WeakPolarHBondContact O-CB 3.46Å; L4-S8 PolarHBondContact O-N 3.3Å; I6-S8 VanDerWaalsContact C-N 3.33Å; I6-S8 PolarHBondContact O-N 3.45Å; S8-C10 PolarHBondContact O-N 3.35Å; S8-L11 PolarHBondContact O-N 2.97Å; S8-F12 WeakPolarHBondContact O-CD2 3.5Å; S8-F12 PolarHBondContact O-N 3.35Å; S8-F12 WeakPolarHBondContact OG-CD2 3.07Å; S8-F12 VanDerWaalsContact OG-CE2 3.22Å; S8-F12 WeakPolarHBondContact OG-CE2 3.34Å
9	G	75.3	Confident	73.3	Confident	18 Å²	18	83.3 Å²	83.3	19%	0.186	45%	0.452	C	S	.	.	H	α-helix	trans	-60.1	-42.6	175.9	0	0	0	0	0	113.3	T5 I6 F12 L13	T5-G9 PolarHBondContact O-N 3.5Å; I6-G9 PolarHBondContact O-N 3.48Å; G9-F12 PolarHBondContact O-N 3.42Å; G9-L13 PolarHBondContact O-N 3.44Å
10	C	77.8	Confident	73	Confident	78 Å²	78	83.3 Å²	83.3	53%	0.527	45%	0.451	S	S	.	.	H	α-helix	trans	-64.4	-42.1	175.7	-67.4	0	0	0	0	112.3	I6 I7 S8 L13 A14	I6-C10 PolarHBondContact O-N 3.11Å; I6-C10 PolarHBondContact O-SG 2.87Å; I7-C10 PolarHBondContact O-N 3.43Å; S8-C10 PolarHBondContact O-N 3.35Å; C10-L13 PolarHBondContact O-N 2.94Å; C10-A14 WeakPolarHBondContact O-CB 3.39Å; C10-A14 PolarHBondContact O-N 3.35Å
11	L	79.6	Confident	72.6	Confident	114 Å²	114	81.6 Å²	81.6	60%	0.597	45%	0.448	S	S	*	.	H	α-helix	trans	-63.3	-41.3	176.5	-78.2	157.3	0	0	0	111.7	I7 S8 A14 A15	I7-L11 HydrophobicContact CG2-CD1 3.72Å; I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 WeakPolarHBondContact O-CD1 3.43Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 3.09Å; S8-L11 PolarHBondContact O-N 2.97Å; L11-A14 PolarHBondContact O-N 3.19Å; L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 3.47Å
12	F	77.4	Confident	72.9	Confident	78 Å²	78	81.4 Å²	81.4	34%	0.342	46%	0.455	S	S	.	.	H	α-helix	trans	-66.3	-40.8	177.2	-81.6	-62.3	0	0	0	112.7	S8 G9 A15 D16 L79	S8-F12 WeakPolarHBondContact O-CD2 3.5Å; S8-F12 PolarHBondContact O-N 3.35Å; S8-F12 WeakPolarHBondContact OG-CD2 3.07Å; S8-F12 VanDerWaalsContact OG-CE2 3.22Å; S8-F12 WeakPolarHBondContact OG-CE2 3.34Å; G9-F12 PolarHBondContact O-N 3.42Å; F12-A15 PolarHBondContact O-N 3.18Å; F12-D16 WeakPolarHBondContact O-CB 3.35Å; F12-D16 PolarHBondContact O-N 3.5Å; F12-L79 HydrophobicContact CD1-CD2 3.35Å; F12-L79 HydrophobicContact CE1-CD2 3.81Å; F12-L79 HydrophobicContact CG-CD2 4.42Å
13	L	74.7	Confident	72.7	Confident	96 Å²	96	80.6 Å²	80.6	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-64.3	-42.1	173.4	-80.7	165.1	0	0	0	112.3	G9 C10 A15 D16 I17	G9-L13 PolarHBondContact O-N 3.44Å; C10-L13 PolarHBondContact O-N 2.94Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-D16 PolarHBondContact O-N 3.03Å; L13-I17 VanDerWaalsContact O-CG1 3.32Å; L13-I17 WeakPolarHBondContact O-CG1 3.23Å; L13-I17 PolarHBondContact O-N 3.21Å
14	A	76.2	Confident	72	Confident	39 Å²	39	76.1 Å²	76.1	32%	0.322	45%	0.445	S	S	.	.	H	α-helix	trans	-61.4	-44.7	175.6	0	0	0	0	0	111	C10 L11 D16 I17 F18	C10-A14 WeakPolarHBondContact O-CB 3.39Å; C10-A14 PolarHBondContact O-N 3.35Å; L11-A14 PolarHBondContact O-N 3.19Å; A14-D16 VanDerWaalsContact C-N 3.34Å; A14-D16 PolarHBondContact O-N 3.25Å; A14-I17 PolarHBondContact O-N 2.83Å; A14-F18 WeakPolarHBondContact O-CD2 3.45Å; A14-F18 PolarHBondContact O-N 3.19Å
15	A	77.9	Confident	70.8	Confident	48 Å²	48	74.2 Å²	74.2	40%	0.397	44%	0.436	S	S	.	.	H	α-helix	trans	-61.1	-40	176.7	0	0	0	0	0	112.8	L11 F12 L13 F18 A19	L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 3.47Å; F12-A15 PolarHBondContact O-N 3.18Å; L13-A15 VanDerWaalsContact C-N 3.34Å; A15-F18 PolarHBondContact O-N 3.24Å; A15-A19 VanDerWaalsContact O-CB 3.3Å; A15-A19 WeakPolarHBondContact O-CB 3.46Å; A15-A19 PolarHBondContact O-N 3.33Å
16	D	71.9	Confident	69.6	Low	19 Å²	19	75 Å²	75	10%	0.102	44%	0.442	C	S	.	.	H	α-helix	trans	-63.3	-46.1	176	-165.8	81.9	0	0	0	111.5	F12 L13 A14 F18 A19 I20	F12-D16 WeakPolarHBondContact O-CB 3.35Å; F12-D16 PolarHBondContact O-N 3.5Å; L13-D16 PolarHBondContact O-N 3.03Å; A14-D16 VanDerWaalsContact C-N 3.34Å; A14-D16 PolarHBondContact O-N 3.25Å; D16-F18 PolarHBondContact O-N 2.64Å; D16-A19 PolarHBondContact O-N 2.93Å; D16-I20 WeakPolarHBondContact O-CB 3.37Å; D16-I20 VanDerWaalsContact O-CG1 3.25Å; D16-I20 WeakPolarHBondContact O-CG1 3.3Å; D16-I20 PolarHBondContact O-N 2.93Å; D16-I20 WeakPolarHBondContact OD2-CD1 3.43Å
17	I	73.7	Confident	68.5	Low	109 Å²	109	74.3 Å²	74.3	56%	0.559	44%	0.44	S	S	*	.	H	α-helix	trans	-62.5	-44.8	176	-66.3	166.1	0	0	0	111.2	L13 A14 I20 A21	L13-I17 VanDerWaalsContact O-CG1 3.32Å; L13-I17 WeakPolarHBondContact O-CG1 3.23Å; L13-I17 PolarHBondContact O-N 3.21Å; A14-I17 PolarHBondContact O-N 2.83Å; I17-I20 PolarHBondContact O-N 3.04Å; I17-A21 WeakPolarHBondContact O-CB 3.5Å; I17-A21 PolarHBondContact O-N 3.36Å
18	F	72	Confident	66.7	Low	147 Å²	147	74.7 Å²	74.7	65%	0.645	43%	0.434	S	S	*	.	H	α-helix	trans	-64.2	-40	177	-80.3	-65	0	0	0	111.7	A14 A15 D16 A21 S22	A14-F18 WeakPolarHBondContact O-CD2 3.45Å; A14-F18 PolarHBondContact O-N 3.19Å; A15-F18 PolarHBondContact O-N 3.24Å; D16-F18 PolarHBondContact O-N 2.64Å; F18-A21 PolarHBondContact O-N 3.42Å; F18-S22 WeakPolarHBondContact O-CB 3.19Å; F18-S22 PolarHBondContact O-N 3.45Å; F18-S22 PolarHBondContact O-OG 3.34Å; F18-S22 VanDerWaalsContact O-OG 3.05Å
19	A	70.3	Confident	64.9	Low	28 Å²	28	75.4 Å²	75.4	23%	0.231	43%	0.434	C	S	.	.	H	α-helix	trans	-64.4	-43.9	176.4	0	0	0	0	0	112	A15 D16 S22 I23 I76	A15-A19 VanDerWaalsContact O-CB 3.3Å; A15-A19 WeakPolarHBondContact O-CB 3.46Å; A15-A19 PolarHBondContact O-N 3.33Å; D16-A19 PolarHBondContact O-N 2.93Å; A19-S22 PolarHBondContact O-N 3.36Å; A19-I23 WeakPolarHBondContact O-CG1 3.35Å; A19-I23 PolarHBondContact O-N 2.84Å; A19-I23 VanDerWaalsContact O-N 3.12Å; A19-I76 HydrophobicContact CB-CD1 4.2Å; A19-I76 HydrophobicContact CB-CG1 4.08Å
20	I	66.9	Low	63.1	Low	82 Å²	82	80.7 Å²	80.7	42%	0.421	46%	0.458	S	S	.	.	H	α-helix	trans	-65.4	-43.2	175.5	-66.3	165.5	0	0	0	110.7	D16 I17 S22 I23 A24 I76	D16-I20 WeakPolarHBondContact O-CB 3.37Å; D16-I20 VanDerWaalsContact O-CG1 3.25Å; D16-I20 WeakPolarHBondContact O-CG1 3.3Å; D16-I20 PolarHBondContact O-N 2.93Å; D16-I20 WeakPolarHBondContact OD2-CD1 3.43Å; I17-I20 PolarHBondContact O-N 3.04Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 2.98Å; I20-I23 PolarHBondContact O-N 3.48Å; I20-I23 VanDerWaalsContact O-N 3.16Å; I20-A24 WeakPolarHBondContact O-CB 3.27Å; I20-A24 PolarHBondContact O-N 2.94Å; I20-I76 HydrophobicContact CG1-CD1 4.28Å; I20-I76 HydrophobicContact CG1-CG2 4.38Å
21	A	64.9	Low	61.3	Low	48 Å²	48	80.4 Å²	80.4	40%	0.397	45%	0.454	S	S	.	.	H	α-helix	trans	-63	-38.3	176.7	0	0	0	0	0	111.7	I17 F18 I23 A24 N25	I17-A21 WeakPolarHBondContact O-CB 3.5Å; I17-A21 PolarHBondContact O-N 3.36Å; F18-A21 PolarHBondContact O-N 3.42Å; A21-I23 VanDerWaalsContact C-N 3.31Å; A21-I23 PolarHBondContact O-N 3.46Å; A21-A24 PolarHBondContact O-N 2.89Å; A21-N25 VanDerWaalsContact O-CB 3.25Å; A21-N25 WeakPolarHBondContact O-CB 3.43Å; A21-N25 PolarHBondContact O-N 3.48Å
22	S	61.6	Low	59.6	Low	84 Å²	84	78.8 Å²	78.8	59%	0.587	47%	0.465	S	S	*	.	H	α-helix	trans	-65.7	-30.7	173.9	-68.1	0	0	0	0	113.2	F18 A19 I20	F18-S22 WeakPolarHBondContact O-CB 3.19Å; F18-S22 PolarHBondContact O-N 3.45Å; F18-S22 PolarHBondContact O-OG 3.34Å; F18-S22 VanDerWaalsContact O-OG 3.05Å; A19-S22 PolarHBondContact O-N 3.36Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 2.98Å
23	I	62.4	Low	57.7	Low	88 Å²	88	82.8 Å²	82.8	45%	0.451	49%	0.485	S	S	.	.	H	α-helix	trans	-75.5	-40.3	172.1	-66.6	171.2	0	0	0	111.3	A19 I20 A21 N25 I72 I76	A19-I23 WeakPolarHBondContact O-CG1 3.35Å; A19-I23 PolarHBondContact O-N 2.84Å; A19-I23 VanDerWaalsContact O-N 3.12Å; I20-I23 PolarHBondContact O-N 3.48Å; I20-I23 VanDerWaalsContact O-N 3.16Å; A21-I23 VanDerWaalsContact C-N 3.31Å; A21-I23 PolarHBondContact O-N 3.46Å; I23-N25 VanDerWaalsContact C-N 3.34Å; I23-I72 HydrophobicContact CD1-CG2 3.76Å; I23-I72 HydrophobicContact CG1-CG2 4.23Å; I23-I76 HydrophobicContact CD1-CD1 3.35Å
24	A	55.3	Low	56.2	Low	78 Å²	78	84.1 Å²	84.1	65%	0.645	50%	0.502	S	S	*	.	H	α-helix	trans	-76.1	-22	-177.3	0	0	0	0	0	113	I20 A21 P26	I20-A24 WeakPolarHBondContact O-CB 3.27Å; I20-A24 PolarHBondContact O-N 2.94Å; A21-A24 PolarHBondContact O-N 2.89Å; A24-P26 VanDerWaalsContact O-CD 3.31Å; A24-P26 WeakPolarHBondContact O-CD 3.37Å
25	N	51.1	Low	54.4	Low	96 Å²	96	87.8 Å²	87.8	51%	0.513	53%	0.533	S	S	.	.			trans	-81.9	113.5	177.5	-154	59.4	0	0	0	109.9	A21 I23 D27	A21-N25 VanDerWaalsContact O-CB 3.25Å; A21-N25 WeakPolarHBondContact O-CB 3.43Å; A21-N25 PolarHBondContact O-N 3.48Å; I23-N25 VanDerWaalsContact C-N 3.34Å; N25-D27 PolarHBondContact O-N 3.19Å
26	P	44.7	Very low	52.5	Low	80 Å²	80	87 Å²	87	52%	0.519	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	10.6	-173	31.4	-36.3	0	0	0	114.7	A24	A24-P26 VanDerWaalsContact O-CD 3.31Å; A24-P26 WeakPolarHBondContact O-CD 3.37Å
27	D	48.3	Very low	50.7	Low	86 Å²	86	89.8 Å²	89.8	46%	0.46	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.1	23	-164.8	-118.8	-44.9	0	0	0	114.2	N25 I29 N30	N25-D27 PolarHBondContact O-N 3.19Å; D27-I29 VanDerWaalsContact C-N 3.27Å; D27-I29 PolarHBondContact O-N 2.98Å; D27-N30 PolarHBondContact OD1-ND2 3.5Å
28	W	40.7	Very low	49	Very low	107 Å²	107	86.5 Å²	86.5	41%	0.405	54%	0.538	S	S	.	.	S	Bend	trans	-71.4	-16.5	-175.5	71.3	-72.8	0	0	0	114.1	V40 L42 W65	W28-V40 PolarHBondContact NE1-O 2.87Å; W28-L42 HydrophobicContact CZ2-CD1 3.97Å; W28-L42 HydrophobicContact CZ2-CD2 4.31Å; W28-W65 HydrophobicContact CH2-CD2 4.29Å; W28-W65 AromaticContact CH2-CE3 3.55Å; W28-W65 HydrophobicContact CH2-CE3 3.55Å; W28-W65 HydrophobicContact CH2-CH2 4Å; W28-W65 AromaticContact CH2-CZ3 3.4Å; W28-W65 HydrophobicContact CH2-CZ3 3.4Å; W28-W65 VanDerWaalsContact CH2-CZ3 3.4Å; W28-W65 HydrophobicContact CZ3-CE3 4Å; W28-W65 AromaticContact CZ3-CH2 3.96Å; W28-W65 HydrophobicContact CZ3-CH2 3.96Å; W28-W65 AromaticContact CZ3-CZ3 3.4Å; W28-W65 HydrophobicContact CZ3-CZ3 3.4Å
29	I	39.7	Very low	47.5	Very low	60 Å²	60	83.5 Å²	83.5	31%	0.308	53%	0.532	S	S	.	.			trans	-140.2	100.5	175.6	-156.6	140.7	0	0	0	111.5	D27 T31 V40	D27-I29 VanDerWaalsContact C-N 3.27Å; D27-I29 PolarHBondContact O-N 2.98Å; I29-T31 HydrophobicContact CG1-CG2 4.3Å; I29-T31 PolarHBondContact O-N 2.83Å; I29-V40 HydrophobicContact CG2-CB 3.66Å; I29-V40 HydrophobicContact CG2-CG2 3.62Å
30	N	38.3	Very low	46.2	Very low	130 Å²	130	83.4 Å²	83.4	70%	0.695	53%	0.528	S	S	*	.			trans	-86.4	94.2	161.6	-87.2	-82.8	0	0	0	107	D27 G32	D27-N30 PolarHBondContact OD1-ND2 3.5Å; N30-G32 PolarHBondContact O-N 2.86Å
31	T	40.7	Very low	45.2	Very low	71 Å²	71	80.9 Å²	80.9	44%	0.436	52%	0.522	S	S	.	.			trans	-68.2	91.3	160.5	51.9	0	0	0	0	106.4	I29 E33	I29-T31 HydrophobicContact CG1-CG2 4.3Å; I29-T31 PolarHBondContact O-N 2.83Å; T31-E33 PolarHBondContact O-N 3.27Å
32	G	42.1	Very low	44.4	Very low	80 Å²	80	80.7 Å²	80.7	83%	0.825	51%	0.514	S	S	*	.			trans	-67.1	71.2	174.4	0	0	0	0	0	110.8	N30	N30-G32 PolarHBondContact O-N 2.86Å
33	E	37.3	Very low	43.6	Very low	163 Å²	163	83.1 Å²	83.1	76%	0.762	53%	0.525	S	S	*	.			trans	-125.5	111.6	169.2	-125.4	165.9	141.2	0	0	108.9	T31 A35	T31-E33 PolarHBondContact O-N 3.27Å; E33-A35 PolarHBondContact O-N 3.3Å
34	S	43.7	Very low	42.7	Very low	124 Å²	124	86.7 Å²	86.7	87%	0.867	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-32.1	124	164	-53.1	0	0	0	0	111
35	A	38.1	Very low	42.4	Very low	116 Å²	116	85.6 Å²	85.6	96%	0.959	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.8	9.1	174.3	0	0	0	0	0	118.9	E33	E33-A35 PolarHBondContact O-N 3.3Å
36	G	38.3	Very low	42.4	Very low	31 Å²	31	82.6 Å²	82.6	32%	0.32	50%	0.501	S	S	.	.			trans	172.2	100.8	165	0	0	0	0	0	112.6	L38	G36-L38 VanDerWaalsContact C-N 3.31Å; G36-L38 PolarHBondContact O-N 2.92Å
37	A	34	Very low	42.4	Very low	78 Å²	78	83.1 Å²	83.1	65%	0.645	50%	0.496	S	S	*	.			trans	-61.5	94.6	173.8	0	0	0	0	0	109.5	T39	A37-T39 PolarHBondContact O-N 3.47Å
38	L	38.1	Very low	42.2	Very low	40 Å²	40	82.8 Å²	82.8	21%	0.209	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	90.5	177	-160.6	80.7	0	0	0	107.2	G36 V40 Q45 Q47	G36-L38 VanDerWaalsContact C-N 3.31Å; G36-L38 PolarHBondContact O-N 2.92Å; L38-V40 HydrophobicContact CB-CG2 4.47Å; L38-V40 HydrophobicContact CD2-CG2 3.8Å; L38-V40 HydrophobicContact CG-CG2 4.04Å; L38-V40 WeakPolarHBondContact O-CG2 3.01Å; L38-V40 PolarHBondContact O-N 3.38Å; L38-Q45 HydrophobicContact CD1-CG 3.6Å; L38-Q45 HydrophobicContact CD2-CG 4.28Å; L38-Q45 HydrophobicContact CG-CG 4.01Å; L38-Q47 HydrophobicContact CD1-CG 3.17Å
39	T	40.5	Very low	42.6	Very low	83 Å²	83	83.7 Å²	83.7	51%	0.509	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	97.2	168.6	34.2	0	0	0	0	108.3	A37 G41	A37-T39 PolarHBondContact O-N 3.47Å; T39-G41 PolarHBondContact O-N 3.37Å
40	V	44.1	Very low	42.7	Very low	26 Å²	26	90 Å²	90	16%	0.158	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	75.2	179.2	-159.2	0	0	0	0	108.9	W28 I29 L38 L42	W28-V40 PolarHBondContact NE1-O 2.87Å; I29-V40 HydrophobicContact CG2-CB 3.66Å; I29-V40 HydrophobicContact CG2-CG2 3.62Å; L38-V40 HydrophobicContact CB-CG2 4.47Å; L38-V40 HydrophobicContact CD2-CG2 3.8Å; L38-V40 HydrophobicContact CG-CG2 4.04Å; L38-V40 WeakPolarHBondContact O-CG2 3.01Å; L38-V40 PolarHBondContact O-N 3.38Å; V40-L42 PolarHBondContact O-N 2.93Å
41	G	45.7	Very low	43.3	Very low	29 Å²	29	87.8 Å²	87.8	30%	0.299	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	123.2	158.5	0	0	0	0	0	107.5	T39 V43 R44	T39-G41 PolarHBondContact O-N 3.37Å; G41-V43 PolarHBondContact O-N 2.98Å; G41-R44 CarbonylContact O-C 3.44Å; G41-R44 PolarHBondContact O-N 3.27Å; G41-R44 VanDerWaalsContact O-O 3.11Å
42	L	48.3	Very low	43.4	Very low	44 Å²	44	94.3 Å²	94.3	23%	0.23	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	-62.7	10.3	-170.4	-153.1	44.3	0	0	0	115.2	W28 V40 L61 W65 L69	W28-L42 HydrophobicContact CZ2-CD1 3.97Å; W28-L42 HydrophobicContact CZ2-CD2 4.31Å; V40-L42 PolarHBondContact O-N 2.93Å; L42-L61 HydrophobicContact CD1-CD2 4.04Å; L42-W65 HydrophobicContact CD1-CB 4.38Å; L42-L69 HydrophobicContact CB-CD1 4.38Å; L42-L69 HydrophobicContact CD1-CD1 4.41Å; L42-L69 HydrophobicContact CD2-CD1 3.69Å; L42-L69 HydrophobicContact CD2-CD2 3.28Å; L42-L69 HydrophobicContact CD2-CG 3.31Å; L42-L69 HydrophobicContact CG-CD1 3.47Å; L42-L69 VanDerWaalsContact CG-CD1 3.47Å; L42-L69 HydrophobicContact CG-CD2 4.04Å; L42-L69 HydrophobicContact CG-CG 3.72Å
43	V	44.7	Very low	43.7	Very low	135 Å²	135	96.1 Å²	96.1	82%	0.818	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.6	-12.1	175.5	-162.4	0	0	0	0	113.1	G41	G41-V43 PolarHBondContact O-N 2.98Å
44	R	44.1	Very low	44.3	Very low	164 Å²	164	98.5 Å²	98.5	62%	0.619	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-154	127.1	171.1	-83.9	-151.5	177	-154.4	1.3	111.9	G41	G41-R44 CarbonylContact O-C 3.44Å; G41-R44 PolarHBondContact O-N 3.27Å; G41-R44 VanDerWaalsContact O-O 3.11Å
45	Q	47.1	Very low	44.5	Very low	54 Å²	54	97 Å²	97	25%	0.252	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	111.7	166.5	-169.6	168	-51	0	0	107.7	L38 P59	L38-Q45 HydrophobicContact CD1-CG 3.6Å; L38-Q45 HydrophobicContact CD2-CG 4.28Å; L38-Q45 HydrophobicContact CG-CG 4.01Å; Q45-P59 HydrophobicContact CB-CB 4.26Å; Q45-P59 HydrophobicContact CB-CG 3.66Å
46	C	51.6	Low	45.2	Very low	33 Å²	33	93.5 Å²	93.5	22%	0.223	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	109.1	173.9	-56.7	0	0	0	0	107.3	C56	C46-C56 HydrophobicContact CB-CB 4.26Å; C46-C56 WeakPolarHBondContact CB-SG 2.88Å; C46-C56 WeakPolarHBondContact SG-CB 3.2Å; C46-C56 CovalentContact SG-SG 2.06Å; C46-C56 PolarHBondContact SG-SG 3.47Å
47	Q	44.6	Very low	45.7	Very low	91 Å²	91	97.9 Å²	97.9	43%	0.425	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.6	175.5	-82	178.4	-99.8	0	0	109.8	L38	L38-Q47 HydrophobicContact CD1-CG 3.17Å
48	T	43.7	Very low	46.2	Very low	79 Å²	79	99.6 Å²	99.6	49%	0.485	53%	0.528	S	S	.	.			trans	-95.3	89.1	169	61.5	0	0	0	0	109
49	I	50.2	Low	46.8	Very low	127 Å²	127	99.6 Å²	99.6	65%	0.651	53%	0.53	S	S	*	.			trans	-78.5	123.7	168.3	-65	168.3	0	0	0	107	G51	I49-G51 PolarHBondContact O-N 2.94Å; I49-G51 VanDerWaalsContact O-N 3.17Å
50	H	40.7	Very low	47.3	Very low	191 Å²	191	107.5 Å²	107.5	88%	0.884	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46	118.4	-174.1	-82.1	-19.7	0	0	0	113.2
51	G	51.4	Low	47.7	Very low	85 Å²	85	109.1 Å²	109.1	88%	0.876	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.3	4.6	167.1	0	0	0	0	0	117.9	I49	I49-G51 PolarHBondContact O-N 2.94Å; I49-G51 VanDerWaalsContact O-N 3.17Å
52	R	43.4	Very low	48.3	Very low	207 Å²	207	110.2 Å²	110.2	78%	0.781	56%	0.56	S	S	*	*	S	Bend	trans	-141.9	151.7	174.9	-157.9	72.8	-148.2	-162.2	4	113.3
53	D	49	Very low	48.9	Very low	119 Å²	119	112.8 Å²	112.8	64%	0.636	58%	0.58	S	S	*	*			trans	-40.1	137.6	-176.1	-68.3	-62	0	0	0	115	T55	D53-T55 PolarHBondContact O-N 3.49Å
54	R	49.3	Very low	49.6	Very low	212 Å²	212	111.5 Å²	111.5	80%	0.8	57%	0.565	S	S	*	*			trans	-53.9	98.7	177.6	-79.5	175.2	160.9	143.3	-5.8	111
55	T	46.8	Very low	50.5	Low	92 Å²	92	108.2 Å²	108.2	56%	0.564	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.8	117.9	171.8	46.5	0	0	0	0	109	D53	D53-T55 PolarHBondContact O-N 3.49Å
56	C	53.3	Low	51.5	Low	44 Å²	44	109.3 Å²	109.3	30%	0.297	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.6	107.6	175.2	-64.2	0	0	0	0	108	C46	C46-C56 HydrophobicContact CB-CB 4.26Å; C46-C56 WeakPolarHBondContact CB-SG 2.88Å; C46-C56 WeakPolarHBondContact SG-CB 3.2Å; C46-C56 CovalentContact SG-SG 2.06Å; C46-C56 PolarHBondContact SG-SG 3.47Å
57	I	49.1	Very low	52.2	Low	123 Å²	123	111.1 Å²	111.1	63%	0.631	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.6	130.1	177.8	-58.2	175.4	0	0	0	106.6	P59	I57-P59 WeakPolarHBondContact O-CD 3.36Å; I57-P59 VanDerWaalsContact O-N 3.17Å
58	P	45.5	Very low	53.5	Low	114 Å²	114	109.9 Å²	109.9	74%	0.74	57%	0.571	S	S	*	*			trans	-67.7	111.9	175.1	26.5	-30.9	0	0	0	109
59	P	50.3	Low	54.7	Low	40 Å²	40	108 Å²	108	26%	0.26	56%	0.558	S	S	.	*			trans	-71.3	148.8	176.7	33.6	-36.8	0	0	0	109.4	Q45 I57 L61	Q45-P59 HydrophobicContact CB-CB 4.26Å; Q45-P59 HydrophobicContact CB-CG 3.66Å; I57-P59 WeakPolarHBondContact O-CD 3.36Å; I57-P59 VanDerWaalsContact O-N 3.17Å; P59-L61 VanDerWaalsContact C-N 3.3Å; P59-L61 HydrophobicContact CB-CD1 4.44Å; P59-L61 HydrophobicContact CG-CD1 3.58Å; P59-L61 PolarHBondContact O-N 2.84Å
60	R	50.1	Low	55.8	Low	249 Å²	249	107.9 Å²	107.9	94%	0.94	55%	0.553	S	S	*	*			trans	-67.4	93	163.6	-77	-84.3	175.7	126	-4.6	107.2
61	L	52.8	Low	57.3	Low	60 Å²	60	105.9 Å²	105.9	31%	0.314	54%	0.542	S	S	.	.			trans	-61.5	127.5	174.6	-109.8	65.9	0	0	0	109.1	L42 P59 V66	L42-L61 HydrophobicContact CD1-CD2 4.04Å; P59-L61 VanDerWaalsContact C-N 3.3Å; P59-L61 HydrophobicContact CB-CD1 4.44Å; P59-L61 HydrophobicContact CG-CD1 3.58Å; P59-L61 PolarHBondContact O-N 2.84Å; L61-V66 HydrophobicContact CB-CG2 4.16Å; L61-V66 HydrophobicContact CD2-CG2 4.28Å
62	P	58.5	Low	58.5	Low	51 Å²	51	105.3 Å²	105.3	33%	0.331	52%	0.518	S	S	.	.			trans	-57.9	141.5	170.8	-18.5	27.9	0	0	0	110.2	E64 W65	P62-E64 HydrophobicContact CB-CG 4.02Å; P62-E64 WeakPolarHBondContact CB-OE1 3.47Å; P62-E64 WeakPolarHBondContact CB-OE2 3.36Å; P62-E64 PolarHBondContact O-N 3.24Å; P62-E64 VanDerWaalsContact O-N 3.14Å; P62-W65 PolarHBondContact O-N 3.43Å
63	P	61	Low	60.1	Low	99 Å²	99	99.6 Å²	99.6	64%	0.643	50%	0.502	S	S	*	.	H	α-helix	trans	-59.8	-26.4	-176.6	22.8	-31.8	0	0	0	113	W65 V66 T67	P63-W65 VanDerWaalsContact C-N 3.32Å; P63-W65 PolarHBondContact O-N 2.7Å; P63-V66 PolarHBondContact O-N 3.23Å; P63-T67 PolarHBondContact O-N 2.96Å; P63-T67 PolarHBondContact O-OG1 3.01Å
64	E	59.9	Low	61.4	Low	108 Å²	108	98.4 Å²	98.4	51%	0.505	49%	0.494	S	S	.	.	H	α-helix	trans	-58.9	-38.6	177.1	60.9	-104.8	-165.3	0	0	113.8	P62 T67 T68	P62-E64 HydrophobicContact CB-CG 4.02Å; P62-E64 WeakPolarHBondContact CB-OE1 3.47Å; P62-E64 WeakPolarHBondContact CB-OE2 3.36Å; P62-E64 PolarHBondContact O-N 3.24Å; P62-E64 VanDerWaalsContact O-N 3.14Å; E64-T67 WeakPolarHBondContact CA-OG1 3.5Å; E64-T67 PolarHBondContact O-N 3.21Å; E64-T67 PolarHBondContact O-OG1 2.95Å; E64-T68 PolarHBondContact O-N 3.36Å; E64-T68 PolarHBondContact O-OG1 3.49Å
65	W	62.6	Low	62.8	Low	95 Å²	95	89.6 Å²	89.6	36%	0.36	47%	0.469	S	S	.	.	H	α-helix	trans	-76.4	-34.3	-178	-64.1	105.7	0	0	0	111.5	W28 L42 P62 P63 T67 T68 L69	W28-W65 HydrophobicContact CH2-CD2 4.29Å; W28-W65 AromaticContact CH2-CE3 3.55Å; W28-W65 HydrophobicContact CH2-CE3 3.55Å; W28-W65 HydrophobicContact CH2-CH2 4Å; W28-W65 AromaticContact CH2-CZ3 3.4Å; W28-W65 HydrophobicContact CH2-CZ3 3.4Å; W28-W65 VanDerWaalsContact CH2-CZ3 3.4Å; W28-W65 HydrophobicContact CZ3-CE3 4Å; W28-W65 AromaticContact CZ3-CH2 3.96Å; W28-W65 HydrophobicContact CZ3-CH2 3.96Å; W28-W65 AromaticContact CZ3-CZ3 3.4Å; W28-W65 HydrophobicContact CZ3-CZ3 3.4Å; L42-W65 HydrophobicContact CD1-CB 4.38Å; P62-W65 PolarHBondContact O-N 3.43Å; P63-W65 VanDerWaalsContact C-N 3.32Å; P63-W65 PolarHBondContact O-N 2.7Å; W65-T67 VanDerWaalsContact C-N 3.35Å; W65-T68 PolarHBondContact O-N 2.8Å; W65-L69 PolarHBondContact O-N 2.85Å
66	V	66.7	Low	64.3	Low	77 Å²	77	86.3 Å²	86.3	47%	0.467	45%	0.448	S	S	.	.	H	α-helix	trans	-64.5	-42.4	173.9	-179.5	0	0	0	0	110.4	L61 P63 L69 F70	L61-V66 HydrophobicContact CB-CG2 4.16Å; L61-V66 HydrophobicContact CD2-CG2 4.28Å; P63-V66 PolarHBondContact O-N 3.23Å; V66-L69 WeakPolarHBondContact O-CB 3.4Å; V66-L69 PolarHBondContact O-N 3.47Å; V66-F70 PolarHBondContact O-N 3.02Å
67	T	68.2	Low	65.7	Low	71 Å²	71	88.6 Å²	88.6	44%	0.436	46%	0.456	S	S	.	.	H	α-helix	trans	-65.3	-40.4	175.7	52.1	0	0	0	0	112.1	P63 E64 W65 L69 F70 F71	P63-T67 PolarHBondContact O-N 2.96Å; P63-T67 PolarHBondContact O-OG1 3.01Å; E64-T67 WeakPolarHBondContact CA-OG1 3.5Å; E64-T67 PolarHBondContact O-N 3.21Å; E64-T67 PolarHBondContact O-OG1 2.95Å; W65-T67 VanDerWaalsContact C-N 3.35Å; T67-L69 PolarHBondContact O-N 2.72Å; T67-F70 WeakPolarHBondContact O-CB 3.32Å; T67-F70 PolarHBondContact O-N 3.45Å; T67-F70 VanDerWaalsContact O-N 3.17Å; T67-F71 WeakPolarHBondContact O-CD2 3.44Å; T67-F71 PolarHBondContact O-N 2.89Å
68	T	71.2	Confident	67.2	Low	65 Å²	65	85.9 Å²	85.9	40%	0.399	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-44.9	178.7	-57.3	0	0	0	0	111.2	E64 W65 F70 F71 I72	E64-T68 PolarHBondContact O-N 3.36Å; E64-T68 PolarHBondContact O-OG1 3.49Å; W65-T68 PolarHBondContact O-N 2.8Å; T68-F70 VanDerWaalsContact C-N 3.32Å; T68-F70 PolarHBondContact O-N 3.42Å; T68-F71 PolarHBondContact O-N 2.95Å; T68-I72 HydrophobicContact CG2-CD1 4.03Å; T68-I72 VanDerWaalsContact O-CG1 3.29Å; T68-I72 WeakPolarHBondContact O-CG1 3.24Å; T68-I72 PolarHBondContact O-N 2.97Å
69	L	69.4	Low	68.7	Low	40 Å²	40	82.4 Å²	82.4	21%	0.209	42%	0.423	C	S	.	.	H	α-helix	trans	-55	-47.7	171.5	-93.7	-176.3	0	0	0	112.9	L42 W65 V66 T67 F71 I72 I73	L42-L69 HydrophobicContact CB-CD1 4.38Å; L42-L69 HydrophobicContact CD1-CD1 4.41Å; L42-L69 HydrophobicContact CD2-CD1 3.69Å; L42-L69 HydrophobicContact CD2-CD2 3.28Å; L42-L69 HydrophobicContact CD2-CG 3.31Å; L42-L69 HydrophobicContact CG-CD1 3.47Å; L42-L69 VanDerWaalsContact CG-CD1 3.47Å; L42-L69 HydrophobicContact CG-CD2 4.04Å; L42-L69 HydrophobicContact CG-CG 3.72Å; W65-L69 PolarHBondContact O-N 2.85Å; V66-L69 WeakPolarHBondContact O-CB 3.4Å; V66-L69 PolarHBondContact O-N 3.47Å; T67-L69 PolarHBondContact O-N 2.72Å; L69-F71 VanDerWaalsContact C-N 3.32Å; L69-F71 PolarHBondContact O-N 3.36Å; L69-I72 PolarHBondContact O-N 3.43Å; L69-I73 WeakPolarHBondContact O-CG1 3.38Å; L69-I73 PolarHBondContact O-N 3.39Å
70	F	72.4	Confident	70.1	Confident	124 Å²	124	84 Å²	84	54%	0.544	43%	0.432	S	S	.	.	H	α-helix	trans	-59.8	-45.3	-178.7	-179.8	-96.4	0	0	0	111.2	V66 T67 T68 I72 I73 M74	V66-F70 PolarHBondContact O-N 3.02Å; T67-F70 WeakPolarHBondContact O-CB 3.32Å; T67-F70 PolarHBondContact O-N 3.45Å; T67-F70 VanDerWaalsContact O-N 3.17Å; T68-F70 VanDerWaalsContact C-N 3.32Å; T68-F70 PolarHBondContact O-N 3.42Å; F70-I72 VanDerWaalsContact C-N 3.35Å; F70-I72 PolarHBondContact O-N 3.42Å; F70-I73 PolarHBondContact O-N 2.96Å; F70-M74 HydrophobicContact CD1-CG 4.15Å; F70-M74 HydrophobicContact CE1-CG 3.74Å; F70-M74 HydrophobicContact CE2-CG 4.19Å; F70-M74 HydrophobicContact CE2-SD 4.48Å; F70-M74 HydrophobicContact CZ-CG 3.77Å; F70-M74 HydrophobicContact CZ-SD 4.08Å; F70-M74 WeakPolarHBondContact O-CB 3.33Å; F70-M74 VanDerWaalsContact O-CG 3.24Å; F70-M74 WeakPolarHBondContact O-CG 3.46Å; F70-M74 PolarHBondContact O-N 3.47Å
71	F	73.2	Confident	71.7	Confident	149 Å²	149	75.9 Å²	75.9	65%	0.654	41%	0.41	S	S	*	.	H	α-helix	trans	-62.6	-39.7	176.3	-78.3	-66.8	0	0	0	112.8	T67 T68 L69 G75	T67-F71 WeakPolarHBondContact O-CD2 3.44Å; T67-F71 PolarHBondContact O-N 2.89Å; T68-F71 PolarHBondContact O-N 2.95Å; L69-F71 VanDerWaalsContact C-N 3.32Å; L69-F71 PolarHBondContact O-N 3.36Å; F71-G75 PolarHBondContact O-N 3.46Å
72	I	75.3	Confident	73.1	Confident	73 Å²	73	76 Å²	76	37%	0.374	41%	0.413	S	S	.	.	H	α-helix	trans	-65	-47.2	177.4	-66.7	167.4	0	0	0	110.7	I23 T68 L69 F70 M74 G75 I76	I23-I72 HydrophobicContact CD1-CG2 3.76Å; I23-I72 HydrophobicContact CG1-CG2 4.23Å; T68-I72 HydrophobicContact CG2-CD1 4.03Å; T68-I72 VanDerWaalsContact O-CG1 3.29Å; T68-I72 WeakPolarHBondContact O-CG1 3.24Å; T68-I72 PolarHBondContact O-N 2.97Å; L69-I72 PolarHBondContact O-N 3.43Å; F70-I72 VanDerWaalsContact C-N 3.35Å; F70-I72 PolarHBondContact O-N 3.42Å; I72-M74 PolarHBondContact O-N 3.39Å; I72-G75 PolarHBondContact O-N 3.22Å; I72-G75 VanDerWaalsContact O-N 3.17Å; I72-I76 HydrophobicContact CG2-CD1 4.17Å; I72-I76 WeakPolarHBondContact O-CG1 3.43Å; I72-I76 PolarHBondContact O-N 2.7Å
73	I	76.4	Confident	74	Confident	86 Å²	86	74.4 Å²	74.4	44%	0.441	40%	0.403	S	S	.	.	H	α-helix	trans	-60.7	-46.5	178.6	-67.9	167.2	0	0	0	110.7	L69 F70 G75 I76 I77	L69-I73 WeakPolarHBondContact O-CG1 3.38Å; L69-I73 PolarHBondContact O-N 3.39Å; F70-I73 PolarHBondContact O-N 2.96Å; I73-G75 VanDerWaalsContact C-N 3.29Å; I73-G75 PolarHBondContact O-N 3.28Å; I73-I76 PolarHBondContact O-N 3.42Å; I73-I77 HydrophobicContact CG2-CD1 3.94Å; I73-I77 WeakPolarHBondContact O-CG1 3.42Å; I73-I77 PolarHBondContact O-N 2.89Å
74	M	77.5	Confident	74.9	Confident	95 Å²	95	71.6 Å²	71.6	47%	0.468	39%	0.392	S	S	.	.	H	α-helix	trans	-60.7	-39.7	176.1	-73	-65.7	-65.5	0	0	111.8	F70 I72 I77 S78	F70-M74 HydrophobicContact CD1-CG 4.15Å; F70-M74 HydrophobicContact CE1-CG 3.74Å; F70-M74 HydrophobicContact CE2-CG 4.19Å; F70-M74 HydrophobicContact CE2-SD 4.48Å; F70-M74 HydrophobicContact CZ-CG 3.77Å; F70-M74 HydrophobicContact CZ-SD 4.08Å; F70-M74 WeakPolarHBondContact O-CB 3.33Å; F70-M74 VanDerWaalsContact O-CG 3.24Å; F70-M74 WeakPolarHBondContact O-CG 3.46Å; F70-M74 PolarHBondContact O-N 3.47Å; I72-M74 PolarHBondContact O-N 3.39Å; M74-I77 PolarHBondContact O-N 3.47Å; M74-S78 WeakPolarHBondContact O-CB 3.43Å; M74-S78 PolarHBondContact O-N 3.43Å; M74-S78 PolarHBondContact O-OG 2.94Å
75	G	78.9	Confident	76	Confident	26 Å²	26	72 Å²	72	27%	0.268	40%	0.397	S	S	.	.	H	α-helix	trans	-57.8	-51.2	173.8	0	0	0	0	0	112.1	F71 I72 I73 I77 S78 L79	F71-G75 PolarHBondContact O-N 3.46Å; I72-G75 PolarHBondContact O-N 3.22Å; I72-G75 VanDerWaalsContact O-N 3.17Å; I73-G75 VanDerWaalsContact C-N 3.29Å; I73-G75 PolarHBondContact O-N 3.28Å; G75-I77 PolarHBondContact O-N 3.05Å; G75-S78 PolarHBondContact O-N 2.91Å; G75-S78 PolarHBondContact O-OG 2.96Å; G75-L79 WeakPolarHBondContact O-CD1 3.45Å; G75-L79 WeakPolarHBondContact O-CG 3.47Å; G75-L79 PolarHBondContact O-N 2.98Å
76	I	78.3	Confident	76.7	Confident	24 Å²	24	70.7 Å²	70.7	12%	0.123	40%	0.397	C	S	.	.	H	α-helix	trans	-57.9	-51.5	177.7	-66.7	169.5	0	0	0	110.5	A19 I20 I23 I72 I73 S78 L79 T80	A19-I76 HydrophobicContact CB-CD1 4.2Å; A19-I76 HydrophobicContact CB-CG1 4.08Å; I20-I76 HydrophobicContact CG1-CD1 4.28Å; I20-I76 HydrophobicContact CG1-CG2 4.38Å; I23-I76 HydrophobicContact CD1-CD1 3.35Å; I72-I76 HydrophobicContact CG2-CD1 4.17Å; I72-I76 WeakPolarHBondContact O-CG1 3.43Å; I72-I76 PolarHBondContact O-N 2.7Å; I73-I76 PolarHBondContact O-N 3.42Å; I76-S78 VanDerWaalsContact C-N 3.27Å; I76-S78 PolarHBondContact O-N 3.46Å; I76-L79 WeakPolarHBondContact O-CB 3.22Å; I76-L79 PolarHBondContact O-N 2.86Å; I76-T80 PolarHBondContact O-N 3.17Å; I76-T80 PolarHBondContact O-OG1 2.91Å
77	I	81.2	Confident	77.3	Confident	91 Å²	91	71.7 Å²	71.7	47%	0.467	40%	0.403	S	S	.	.	H	α-helix	trans	-55.3	-45.1	179.1	-65.3	166	0	0	0	110.9	I73 M74 G75 L79 T80 V81	I73-I77 HydrophobicContact CG2-CD1 3.94Å; I73-I77 WeakPolarHBondContact O-CG1 3.42Å; I73-I77 PolarHBondContact O-N 2.89Å; M74-I77 PolarHBondContact O-N 3.47Å; G75-I77 PolarHBondContact O-N 3.05Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.45Å; I77-T80 PolarHBondContact O-N 2.94Å; I77-V81 HydrophobicContact CG2-CG2 4.39Å; I77-V81 WeakPolarHBondContact O-CB 3.39Å; I77-V81 VanDerWaalsContact O-CG2 3.27Å; I77-V81 WeakPolarHBondContact O-CG2 3.34Å; I77-V81 PolarHBondContact O-N 3.28Å
78	S	80.7	Confident	77.9	Confident	66 Å²	66	70.6 Å²	70.6	46%	0.462	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-38	179.8	74.9	0	0	0	0	112.7	M74 G75 I76 T82	M74-S78 WeakPolarHBondContact O-CB 3.43Å; M74-S78 PolarHBondContact O-N 3.43Å; M74-S78 PolarHBondContact O-OG 2.94Å; G75-S78 PolarHBondContact O-N 2.91Å; G75-S78 PolarHBondContact O-OG 2.96Å; I76-S78 VanDerWaalsContact C-N 3.27Å; I76-S78 PolarHBondContact O-N 3.46Å; S78-T82 WeakPolarHBondContact O-CB 3.09Å; S78-T82 PolarHBondContact O-N 3.32Å; S78-T82 PolarHBondContact O-OG1 2.88Å
79	L	78.3	Confident	78.1	Confident	41 Å²	41	71.2 Å²	71.2	22%	0.215	41%	0.408	C	S	.	.	H	α-helix	trans	-66.3	-46.7	175.3	-79.7	154.4	0	0	0	110.9	F12 G75 I76 I77 V81 T82 C83	F12-L79 HydrophobicContact CD1-CD2 3.35Å; F12-L79 HydrophobicContact CE1-CD2 3.81Å; F12-L79 HydrophobicContact CG-CD2 4.42Å; G75-L79 WeakPolarHBondContact O-CD1 3.45Å; G75-L79 WeakPolarHBondContact O-CG 3.47Å; G75-L79 PolarHBondContact O-N 2.98Å; I76-L79 WeakPolarHBondContact O-CB 3.22Å; I76-L79 PolarHBondContact O-N 2.86Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.45Å; L79-V81 PolarHBondContact O-N 2.81Å; L79-T82 PolarHBondContact O-N 3.33Å; L79-C83 WeakPolarHBondContact O-CB 3.23Å; L79-C83 PolarHBondContact O-N 3.16Å; L79-C83 PolarHBondContact O-SG 3.46Å
80	T	80.4	Confident	78.3	Confident	73 Å²	73	72.8 Å²	72.8	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-61.3	-43.7	178.4	-34.8	0	0	0	0	111.4	I76 I77 C83 G84	I76-T80 PolarHBondContact O-N 3.17Å; I76-T80 PolarHBondContact O-OG1 2.91Å; I77-T80 PolarHBondContact O-N 2.94Å; T80-C83 PolarHBondContact O-N 3.42Å; T80-G84 PolarHBondContact O-N 3.44Å
81	V	81.8	Confident	78.6	Confident	80 Å²	80	76.1 Å²	76.1	49%	0.485	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-43.7	176.1	170.5	0	0	0	0	110.9	I77 L79 C83 G84 L85	I77-V81 HydrophobicContact CG2-CG2 4.39Å; I77-V81 WeakPolarHBondContact O-CB 3.39Å; I77-V81 VanDerWaalsContact O-CG2 3.27Å; I77-V81 WeakPolarHBondContact O-CG2 3.34Å; I77-V81 PolarHBondContact O-N 3.28Å; L79-V81 PolarHBondContact O-N 2.81Å; V81-C83 PolarHBondContact O-N 3.28Å; V81-G84 PolarHBondContact O-N 3.49Å; V81-L85 HydrophobicContact CG1-CD1 3.83Å; V81-L85 HydrophobicContact CG1-CG 4.25Å; V81-L85 WeakPolarHBondContact O-CB 3.49Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.32Å; V81-L85 PolarHBondContact O-N 3.01Å
82	T	82.1	Confident	78.7	Confident	61 Å²	61	77.9 Å²	77.9	37%	0.374	43%	0.426	S	S	.	.	H	α-helix	trans	-61.6	-45.2	177.9	-59	0	0	0	0	111.3	S78 L79 L85 L86	S78-T82 WeakPolarHBondContact O-CB 3.09Å; S78-T82 PolarHBondContact O-N 3.32Å; S78-T82 PolarHBondContact O-OG1 2.88Å; L79-T82 PolarHBondContact O-N 3.33Å; T82-L85 PolarHBondContact O-N 3.41Å; T82-L86 HydrophobicContact CG2-CD1 4.21Å; T82-L86 WeakPolarHBondContact O-CB 3.25Å; T82-L86 VanDerWaalsContact O-CG 3.32Å; T82-L86 WeakPolarHBondContact O-CG 3.5Å; T82-L86 PolarHBondContact O-N 3.04Å
83	C	78.6	Confident	78.5	Confident	18 Å²	18	82 Å²	82	12%	0.122	44%	0.437	C	S	.	.	H	α-helix	trans	-59.1	-47.4	173.9	-74.6	0	0	0	0	111.7	L79 T80 V81 L85 L86 V87	L79-C83 WeakPolarHBondContact O-CB 3.23Å; L79-C83 PolarHBondContact O-N 3.16Å; L79-C83 PolarHBondContact O-SG 3.46Å; T80-C83 PolarHBondContact O-N 3.42Å; V81-C83 PolarHBondContact O-N 3.28Å; C83-L85 PolarHBondContact O-N 3.45Å; C83-L86 PolarHBondContact O-N 3.41Å; C83-V87 WeakPolarHBondContact O-CG2 3.19Å; C83-V87 PolarHBondContact O-N 3Å
84	G	80.4	Confident	78	Confident	41 Å²	41	80 Å²	80	42%	0.423	43%	0.425	S	S	.	.	H	α-helix	trans	-60.8	-43.6	177.6	0	0	0	0	0	113	T80 V81 V87 A88	T80-G84 PolarHBondContact O-N 3.44Å; V81-G84 PolarHBondContact O-N 3.49Å; G84-V87 PolarHBondContact O-N 3.39Å; G84-A88 WeakPolarHBondContact O-CB 3.38Å; G84-A88 PolarHBondContact O-N 2.95Å
85	L	81.9	Confident	77.3	Confident	115 Å²	115	77.6 Å²	77.6	60%	0.602	42%	0.421	S	S	*	.	H	α-helix	trans	-65	-40.2	176.6	-72.8	173.1	0	0	0	112.1	V81 T82 C83 A88 S89	V81-L85 HydrophobicContact CG1-CD1 3.83Å; V81-L85 HydrophobicContact CG1-CG 4.25Å; V81-L85 WeakPolarHBondContact O-CB 3.49Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.32Å; V81-L85 PolarHBondContact O-N 3.01Å; T82-L85 PolarHBondContact O-N 3.41Å; C83-L85 PolarHBondContact O-N 3.45Å; L85-A88 PolarHBondContact O-N 2.96Å; L85-S89 WeakPolarHBondContact O-CB 3.23Å; L85-S89 PolarHBondContact O-N 3.36Å
86	L	78.3	Confident	76.7	Confident	68 Å²	68	80.9 Å²	80.9	36%	0.356	44%	0.436	S	S	.	.	H	α-helix	trans	-62.5	-44.9	175.2	-76.7	171.7	0	0	0	111.4	T82 C83 S89 H90	T82-L86 HydrophobicContact CG2-CD1 4.21Å; T82-L86 WeakPolarHBondContact O-CB 3.25Å; T82-L86 VanDerWaalsContact O-CG 3.32Å; T82-L86 WeakPolarHBondContact O-CG 3.5Å; T82-L86 PolarHBondContact O-N 3.04Å; C83-L86 PolarHBondContact O-N 3.41Å; L86-S89 PolarHBondContact O-N 2.93Å; L86-H90 WeakPolarHBondContact O-CB 3.43Å; L86-H90 PolarHBondContact O-N 3.44Å
87	V	78.5	Confident	76	Confident	98 Å²	98	84.4 Å²	84.4	59%	0.594	45%	0.45	S	S	*	.	H	α-helix	trans	-63.6	-46.1	176.2	172.7	0	0	0	0	111	C83 G84 S89 H90 W91	C83-V87 WeakPolarHBondContact O-CG2 3.19Å; C83-V87 PolarHBondContact O-N 3Å; G84-V87 PolarHBondContact O-N 3.39Å; V87-S89 PolarHBondContact O-N 3.23Å; V87-H90 PolarHBondContact O-N 3.32Å; V87-W91 WeakPolarHBondContact O-CB 3.41Å; V87-W91 PolarHBondContact O-N 3.04Å
88	A	80.4	Confident	75.2	Confident	49 Å²	49	87.1 Å²	87.1	41%	0.405	46%	0.456	S	S	.	.	H	α-helix	trans	-63.1	-42.7	178.6	0	0	0	0	0	112.1	G84 L85 H90 W91 R92	G84-A88 WeakPolarHBondContact O-CB 3.38Å; G84-A88 PolarHBondContact O-N 2.95Å; L85-A88 PolarHBondContact O-N 2.96Å; A88-H90 VanDerWaalsContact C-N 3.35Å; A88-W91 PolarHBondContact O-N 3.04Å; A88-R92 WeakPolarHBondContact O-CB 3.47Å; A88-R92 VanDerWaalsContact O-CG 3.23Å; A88-R92 WeakPolarHBondContact O-CG 3.29Å; A88-R92 PolarHBondContact O-N 3.04Å
89	S	76.6	Confident	74.3	Confident	77 Å²	77	86.6 Å²	86.6	54%	0.538	46%	0.455	S	S	.	.	H	α-helix	trans	-61.4	-43.7	175.2	-177.3	0	0	0	0	111.3	L85 L86 V87 R92 R93	L85-S89 WeakPolarHBondContact O-CB 3.23Å; L85-S89 PolarHBondContact O-N 3.36Å; L86-S89 PolarHBondContact O-N 2.93Å; V87-S89 PolarHBondContact O-N 3.23Å; S89-R92 PolarHBondContact O-N 3.47Å; S89-R93 WeakPolarHBondContact O-CB 3.13Å; S89-R93 PolarHBondContact O-N 3.06Å
90	H	73.9	Confident	73.5	Confident	73 Å²	73	93.5 Å²	93.5	34%	0.338	48%	0.478	S	S	.	.	H	α-helix	trans	-63.6	-46.4	175.9	-171.7	-75.9	0	0	0	111.7	M1 L86 V87 A88 R92 R93 E94	M1-H90 WeakPolarHBondContact CE-CD2 3.47Å; M1-H90 WeakPolarHBondContact CE-NE2 3.08Å; L86-H90 WeakPolarHBondContact O-CB 3.43Å; L86-H90 PolarHBondContact O-N 3.44Å; V87-H90 PolarHBondContact O-N 3.32Å; A88-H90 VanDerWaalsContact C-N 3.35Å; H90-R92 VanDerWaalsContact C-N 3.34Å; H90-R92 PolarHBondContact O-N 3.49Å; H90-R93 PolarHBondContact O-N 3.29Å; H90-E94 VanDerWaalsContact CE1-CG 3.46Å; H90-E94 WeakPolarHBondContact CE1-CG 3.42Å; H90-E94 WeakPolarHBondContact O-CG 3.4Å; H90-E94 PolarHBondContact O-N 3.32Å
91	W	77.1	Confident	72.5	Confident	194 Å²	194	99.1 Å²	99.1	74%	0.735	49%	0.491	S	S	*	.	H	α-helix	trans	-58.9	-45.4	178.2	-168.5	-82.7	0	0	0	111.6	V87 A88 R93 E94 A95	V87-W91 WeakPolarHBondContact O-CB 3.41Å; V87-W91 PolarHBondContact O-N 3.04Å; A88-W91 PolarHBondContact O-N 3.04Å; W91-R93 PolarHBondContact O-N 3.35Å; W91-E94 PolarHBondContact O-N 2.98Å; W91-A95 WeakPolarHBondContact O-CB 3.3Å; W91-A95 PolarHBondContact O-N 3.33Å
92	R	75.8	Confident	71.5	Confident	187 Å²	187	100.8 Å²	100.8	71%	0.706	50%	0.496	S	S	*	.	H	α-helix	trans	-62.6	-42.4	176.6	-69.5	-76.8	-75.8	-135.3	-2.9	111.4	A88 S89 H90 T96	A88-R92 WeakPolarHBondContact O-CB 3.47Å; A88-R92 VanDerWaalsContact O-CG 3.23Å; A88-R92 WeakPolarHBondContact O-CG 3.29Å; A88-R92 PolarHBondContact O-N 3.04Å; S89-R92 PolarHBondContact O-N 3.47Å; H90-R92 VanDerWaalsContact C-N 3.34Å; H90-R92 PolarHBondContact O-N 3.49Å; R92-T96 WeakPolarHBondContact O-CB 3.44Å; R92-T96 PolarHBondContact O-N 3.17Å; R92-T96 PolarHBondContact O-OG1 2.94Å
93	R	71	Confident	70.5	Confident	159 Å²	159	100.9 Å²	100.9	60%	0.6	50%	0.503	S	S	*	.	H	α-helix	trans	-69.4	-37	-178.7	-154.7	165.1	-177.1	-152.1	1.8	112.3	S89 H90 W91 K97	S89-R93 WeakPolarHBondContact O-CB 3.13Å; S89-R93 PolarHBondContact O-N 3.06Å; H90-R93 PolarHBondContact O-N 3.29Å; W91-R93 PolarHBondContact O-N 3.35Å; R93-K97 WeakPolarHBondContact O-CG 3.4Å; R93-K97 PolarHBondContact O-N 2.98Å
94	E	65.9	Low	69.3	Low	44 Å²	44	106.9 Å²	106.9	21%	0.206	53%	0.528	C	S	.	.	H	α-helix	trans	-70.6	-47.6	172	-71.1	-54.2	132.2	0	0	111.7	M1 H90 W91 T96 K97 Y98	M1-E94 HydrophobicContact CE-CG 4.05Å; M1-E94 WeakPolarHBondContact CE-OE1 3.41Å; H90-E94 VanDerWaalsContact CE1-CG 3.46Å; H90-E94 WeakPolarHBondContact CE1-CG 3.42Å; H90-E94 WeakPolarHBondContact O-CG 3.4Å; H90-E94 PolarHBondContact O-N 3.32Å; W91-E94 PolarHBondContact O-N 2.98Å; E94-T96 PolarHBondContact O-N 3.48Å; E94-K97 WeakPolarHBondContact O-CA 3.2Å; E94-K97 WeakPolarHBondContact O-CB 3.14Å; E94-K97 PolarHBondContact O-N 3.03Å; E94-K97 IonicContact OE1-NZ 3.87Å; E94-K97 PolarHBondContact OE1-NZ 2.93Å; E94-K97 IonicContact OE2-NZ 2.7Å; E94-Y98 HydrophobicContact CB-CD2 4.49Å; E94-Y98 HydrophobicContact CB-CE2 4.2Å; E94-Y98 WeakPolarHBondContact O-CD2 3.07Å; E94-Y98 PolarHBondContact O-N 2.71Å
95	A	64.1	Low	68.4	Low	45 Å²	45	109 Å²	109	37%	0.372	53%	0.533	S	S	.	.	H	α-helix	trans	-57	-36.5	176.1	0	0	0	0	0	112.4	W91 K97 Y98 A99	W91-A95 WeakPolarHBondContact O-CB 3.3Å; W91-A95 PolarHBondContact O-N 3.33Å; A95-K97 VanDerWaalsContact C-N 3.35Å; A95-Y98 PolarHBondContact O-N 3.32Å; A95-A99 VanDerWaalsContact O-CB 3.29Å; A95-A99 WeakPolarHBondContact O-CB 3.31Å; A95-A99 PolarHBondContact O-N 3.45Å
96	T	64.8	Low	67.3	Low	95 Å²	95	105.6 Å²	105.6	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-67.1	-34.7	175.3	-51.3	0	0	0	0	112	R92 E94 R100	R92-T96 WeakPolarHBondContact O-CB 3.44Å; R92-T96 PolarHBondContact O-N 3.17Å; R92-T96 PolarHBondContact O-OG1 2.94Å; E94-T96 PolarHBondContact O-N 3.48Å; T96-R100 PolarHBondContact O-N 3.12Å
97	K	63.7	Low	66	Low	97 Å²	97	110.4 Å²	110.4	42%	0.422	54%	0.543	S	S	.	.	H	α-helix	trans	-68.6	-42	173.3	-69.2	172.9	-168.2	166.2	0	111.7	R93 E94 A95 R100 W101	R93-K97 WeakPolarHBondContact O-CG 3.4Å; R93-K97 PolarHBondContact O-N 2.98Å; E94-K97 WeakPolarHBondContact O-CA 3.2Å; E94-K97 WeakPolarHBondContact O-CB 3.14Å; E94-K97 PolarHBondContact O-N 3.03Å; E94-K97 IonicContact OE1-NZ 3.87Å; E94-K97 PolarHBondContact OE1-NZ 2.93Å; E94-K97 IonicContact OE2-NZ 2.7Å; A95-K97 VanDerWaalsContact C-N 3.35Å; K97-R100 WeakPolarHBondContact O-CB 3.43Å; K97-R100 PolarHBondContact O-N 3.38Å; K97-W101 PolarHBondContact O-N 3.42Å
98	Y	64	Low	64.8	Low	149 Å²	149	109.5 Å²	109.5	58%	0.584	54%	0.54	S	S	*	.	H	α-helix	trans	-65.8	-42.4	175.4	-69.4	-70.1	0	0	0	112	E94 A95 R100 W101 I102	E94-Y98 HydrophobicContact CB-CD2 4.49Å; E94-Y98 HydrophobicContact CB-CE2 4.2Å; E94-Y98 WeakPolarHBondContact O-CD2 3.07Å; E94-Y98 PolarHBondContact O-N 2.71Å; A95-Y98 PolarHBondContact O-N 3.32Å; Y98-R100 PolarHBondContact O-N 2.84Å; Y98-W101 PolarHBondContact O-N 3.4Å; Y98-I102 WeakPolarHBondContact O-CG1 3.48Å; Y98-I102 PolarHBondContact O-N 2.88Å
99	A	62.8	Low	63.5	Low	54 Å²	54	111.8 Å²	111.8	45%	0.446	55%	0.549	S	S	.	.	H	α-helix	trans	-57.1	-36.3	175.3	0	0	0	0	0	112.2	A95 W101 I102 A103	A95-A99 VanDerWaalsContact O-CB 3.29Å; A95-A99 WeakPolarHBondContact O-CB 3.31Å; A95-A99 PolarHBondContact O-N 3.45Å; A99-W101 VanDerWaalsContact C-N 3.33Å; A99-W101 PolarHBondContact O-N 2.06Å; A99-I102 PolarHBondContact O-N 3.29Å; A99-A103 WeakPolarHBondContact O-CB 3.25Å; A99-A103 PolarHBondContact O-N 3.45Å
100	R	61.8	Low	62.2	Low	186 Å²	186	114.9 Å²	114.9	70%	0.702	56%	0.555	S	S	*	*	H	α-helix	trans	-64.2	-35.7	176.5	-154.4	171.8	91	163.3	6.6	112.6	T96 K97 Y98 F104	T96-R100 PolarHBondContact O-N 3.12Å; K97-R100 WeakPolarHBondContact O-CB 3.43Å; K97-R100 PolarHBondContact O-N 3.38Å; Y98-R100 PolarHBondContact O-N 2.84Å; R100-F104 WeakPolarHBondContact O-CD2 3.44Å; R100-F104 PolarHBondContact O-N 2.91Å
101	W	59.1	Low	61.1	Low	191 Å²	191	115.5 Å²	115.5	72%	0.723	57%	0.567	S	S	*	*	H	α-helix	trans	-74.9	-38	175.3	-80.3	100	0	0	0	112.7	K97 Y98 A99 A103 F104 T105	K97-W101 PolarHBondContact O-N 3.42Å; Y98-W101 PolarHBondContact O-N 3.4Å; A99-W101 VanDerWaalsContact C-N 3.33Å; A99-W101 PolarHBondContact O-N 2.06Å; W101-A103 VanDerWaalsContact C-N 3.34Å; W101-A103 PolarHBondContact O-N 2.9Å; W101-F104 PolarHBondContact O-N 2.85Å; W101-T105 PolarHBondContact O-N 3.14Å; W101-T105 VanDerWaalsContact O-N 3.11Å; W101-T105 PolarHBondContact O-OG1 3.39Å
102	I	61.2	Low	59.9	Low	116 Å²	116	110.9 Å²	110.9	60%	0.595	57%	0.565	S	S	*	*	H	α-helix	trans	-66.9	-35.9	177.2	-60.5	166	0	0	0	111.2	Y98 A99 F104 T105 G106	Y98-I102 WeakPolarHBondContact O-CG1 3.48Å; Y98-I102 PolarHBondContact O-N 2.88Å; A99-I102 PolarHBondContact O-N 3.29Å; I102-F104 VanDerWaalsContact C-N 3.29Å; I102-F104 PolarHBondContact O-N 3.05Å; I102-T105 WeakPolarHBondContact CA-OG1 3.11Å; I102-T105 PolarHBondContact O-N 3.19Å; I102-T105 PolarHBondContact O-OG1 3.45Å; I102-T105 VanDerWaalsContact O-OG1 3.09Å; I102-G106 PolarHBondContact O-N 2.84Å
103	A	59.6	Low	58.7	Low	63 Å²	63	110 Å²	110	52%	0.521	57%	0.568	S	S	.	*	H	α-helix	trans	-65	-31.6	173.6	0	0	0	0	0	112.9	A99 W101 K107	A99-A103 WeakPolarHBondContact O-CB 3.25Å; A99-A103 PolarHBondContact O-N 3.45Å; W101-A103 VanDerWaalsContact C-N 3.34Å; W101-A103 PolarHBondContact O-N 2.9Å; A103-K107 PolarHBondContact O-N 2.95Å
104	F	55.4	Low	57.6	Low	144 Å²	144	110.3 Å²	110.3	63%	0.632	59%	0.588	S	S	*	*	H	α-helix	trans	-74.4	-43	176	-100	-82.2	0	0	0	112.2	R100 W101 I102 K107 C108	R100-F104 WeakPolarHBondContact O-CD2 3.44Å; R100-F104 PolarHBondContact O-N 2.91Å; W101-F104 PolarHBondContact O-N 2.85Å; I102-F104 VanDerWaalsContact C-N 3.29Å; I102-F104 PolarHBondContact O-N 3.05Å; F104-K107 PolarHBondContact O-N 2.97Å; F104-C108 PolarHBondContact O-N 3.02Å; F104-C108 PolarHBondContact O-SG 2.8Å; F104-C108 VanDerWaalsContact O-SG 3.42Å
105	T	60.8	Low	57.1	Low	86 Å²	86	113.7 Å²	113.7	53%	0.528	61%	0.607	S	S	.	*	H	α-helix	trans	-67.3	-35.4	175.5	43.1	0	0	0	0	112.5	W101 I102 K107 C108 V109	W101-T105 PolarHBondContact O-N 3.14Å; W101-T105 VanDerWaalsContact O-N 3.11Å; W101-T105 PolarHBondContact O-OG1 3.39Å; I102-T105 WeakPolarHBondContact CA-OG1 3.11Å; I102-T105 PolarHBondContact O-N 3.19Å; I102-T105 PolarHBondContact O-OG1 3.45Å; I102-T105 VanDerWaalsContact O-OG1 3.09Å; T105-K107 VanDerWaalsContact C-N 3.35Å; T105-K107 PolarHBondContact O-N 2.88Å; T105-C108 PolarHBondContact O-N 2.75Å; T105-V109 PolarHBondContact O-N 3.43Å
106	G	58	Low	56.8	Low	43 Å²	43	117.3 Å²	117.3	44%	0.443	62%	0.619	S	S	.	*	H	α-helix	trans	-61.9	-37.4	173.9	0	0	0	0	0	113.6	I102 H110	I102-G106 PolarHBondContact O-N 2.84Å; G106-H110 PolarHBondContact O-N 3.3Å
107	K	51.8	Low	56.3	Low	169 Å²	169	118.5 Å²	118.5	74%	0.735	62%	0.621	S	S	*	*	H	α-helix	trans	-73.3	-36	175.4	-74	-161.2	175.9	-175.5	0	113.3	A103 F104 T105 S111	A103-K107 PolarHBondContact O-N 2.95Å; F104-K107 PolarHBondContact O-N 2.97Å; T105-K107 VanDerWaalsContact C-N 3.35Å; T105-K107 PolarHBondContact O-N 2.88Å; K107-S111 PolarHBondContact O-N 3.17Å
108	C	52.4	Low	55.9	Low	79 Å²	79	119.8 Å²	119.8	53%	0.534	63%	0.633	S	S	.	*	H	α-helix	trans	-69	-38.2	175.8	-65.9	0	0	0	0	112.9	F104 T105 S111 S112	F104-C108 PolarHBondContact O-N 3.02Å; F104-C108 PolarHBondContact O-SG 2.8Å; F104-C108 VanDerWaalsContact O-SG 3.42Å; T105-C108 PolarHBondContact O-N 2.75Å; C108-S111 PolarHBondContact O-N 2.85Å; C108-S112 PolarHBondContact O-N 2.8Å; C108-S112 PolarHBondContact O-OG 2.99Å
109	V	52.7	Low	55.4	Low	97 Å²	97	117.9 Å²	117.9	59%	0.588	64%	0.636	S	S	*	*	H	α-helix	trans	-66.2	-39.5	175.5	158	0	0	0	0	111.7	T105 S111 S112	T105-V109 PolarHBondContact O-N 3.43Å; V109-S111 PolarHBondContact O-N 3.31Å; V109-S112 PolarHBondContact O-N 2.89Å
110	H	49.6	Very low	54.9	Low	142 Å²	142	122.2 Å²	122.2	66%	0.657	65%	0.649	S	S	*	*	H	α-helix	trans	-66.9	-35.4	176.6	-168.2	69.4	0	0	0	112.7	G106 S112	G106-H110 PolarHBondContact O-N 3.3Å; H110-S112 VanDerWaalsContact C-N 3.26Å; H110-S112 PolarHBondContact O-N 3.33Å
111	S	52	Low	54.4	Low	85 Å²	85	117.6 Å²	117.6	59%	0.594	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-8.4	177.1	-169.6	0	0	0	0	114.3	K107 C108 V109	K107-S111 PolarHBondContact O-N 3.17Å; C108-S111 PolarHBondContact O-N 2.85Å; V109-S111 PolarHBondContact O-N 3.31Å
112	S	52.1	Low	54	Low	98 Å²	98	112 Å²	112	69%	0.685	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-3.2	179	-54.8	0	0	0	0	112.8	C108 V109 H110	C108-S112 PolarHBondContact O-N 2.8Å; C108-S112 PolarHBondContact O-OG 2.99Å; V109-S112 PolarHBondContact O-N 2.89Å; H110-S112 VanDerWaalsContact C-N 3.26Å; H110-S112 PolarHBondContact O-N 3.33Å
113	H	49.5	Very low	53.4	Low	169 Å²	169	111.7 Å²	111.7	78%	0.782	64%	0.643	S	S	*	*			trans	-117.2	8.5	-177.8	-94.6	-80.1	0	0	0	114.1
114	T	47.4	Very low	52.9	Low	165 Å²	165	116.1 Å²	116.1	100%	1.012	65%	0.654	S	S	*	*			trans	-126.7	0	167.2	44.6	0	0	0	0	109.1

Retrieved 114 of 114 residues in 83.3 ms (Link to these results)

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