A0A096LS55_POEFO Loading...

Modulator of smoothened

AlphaFold DB , UniProt , Accession A0A096LS55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 aa.

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	56.2	Low	73.6	Confident	127 Å²	127	94.5 Å²	94.5	63%	0.626	50%	0.503	S	S	*	.				0	131.1	0	-155.8	117.1	125.8	0	0	107.3	I6 H90	M1-I6 HydrophobicContact CB-CD1 4.42Å; M1-I6 HydrophobicContact CG-CG1 4.23Å; M1-H90 HydrophobicContact CE-CB 4.19Å; M1-H90 HydrophobicContact SD-CB 4.18Å; M1-H90 PolarHBondContact SD-CD2 3.17Å
2	D	72.3	Confident	73.6	Confident	115 Å²	115	90.4 Å²	90.4	62%	0.615	48%	0.478	S	S	*	.			trans	-66.5	137.8	178.1	-60.4	-69.4	0	0	0	110.2	L4 T5	D2-L4 PolarHBondContact O-N 2.84Å; D2-T5 PolarHBondContact O-N 3.13Å
3	K	76.8	Confident	73.5	Confident	178 Å²	178	90.2 Å²	90.2	77%	0.774	48%	0.477	S	S	*	.	H	α-helix	trans	-53.7	-30.9	179.5	-64.9	178.4	-178.5	-179.4	0	111.9	I6 I7	K3-I6 PolarHBondContact O-N 3.31Å; K3-I7 WeakPolarHBondContact O-CD1 3.09Å; K3-I7 VanDerWaalsContact O-CG1 3.24Å; K3-I7 WeakPolarHBondContact O-CG1 3.36Å; K3-I7 PolarHBondContact O-N 3.32Å; K3-I7 VanDerWaalsContact O-N 3.11Å
4	L	76.8	Confident	73.2	Confident	140 Å²	140	86.5 Å²	86.5	73%	0.733	47%	0.465	S	S	*	.	H	α-helix	trans	-62.3	-40.8	177.1	-68	163.2	0	0	0	113.1	D2 I7 S8	D2-L4 PolarHBondContact O-N 2.84Å; L4-I7 PolarHBondContact O-N 3.39Å; L4-S8 PolarHBondContact O-N 3.35Å; L4-S8 PolarHBondContact O-OG 2.92Å
5	T	71.7	Confident	73.1	Confident	44 Å²	44	83.6 Å²	83.6	27%	0.27	46%	0.458	S	S	.	.	H	α-helix	trans	-68.7	-39	-178.9	-50.8	0	0	0	0	111.2	D2 S8 G9 L86	D2-T5 PolarHBondContact O-N 3.13Å; T5-S8 WeakPolarHBondContact CA-OG 3.37Å; T5-S8 PolarHBondContact O-N 3.45Å; T5-S8 PolarHBondContact O-OG 2.98Å; T5-G9 PolarHBondContact O-N 3.27Å; T5-L86 HydrophobicContact CG2-CD2 4.22Å
6	I	74.2	Confident	72.9	Confident	90 Å²	90	79.4 Å²	79.4	46%	0.462	44%	0.435	S	S	.	.	H	α-helix	trans	-65.3	-47.4	177	-61	174.7	0	0	0	110.2	M1 K3 S8 G9 C10	M1-I6 HydrophobicContact CB-CD1 4.42Å; M1-I6 HydrophobicContact CG-CG1 4.23Å; K3-I6 PolarHBondContact O-N 3.31Å; I6-S8 VanDerWaalsContact C-N 3.32Å; I6-S8 PolarHBondContact O-N 3.05Å; I6-G9 PolarHBondContact O-N 2.76Å; I6-G9 VanDerWaalsContact O-N 3.16Å; I6-C10 PolarHBondContact O-N 3.45Å; I6-C10 PolarHBondContact O-SG 3.11Å; I6-C10 VanDerWaalsContact O-SG 3.34Å
7	I	79.4	Confident	72.8	Confident	98 Å²	98	81.4 Å²	81.4	50%	0.503	44%	0.443	S	S	.	.	H	α-helix	trans	-59	-44.8	177.3	-65.9	162.8	0	0	0	110.5	K3 L4 G9 C10 L11	K3-I7 WeakPolarHBondContact O-CD1 3.09Å; K3-I7 VanDerWaalsContact O-CG1 3.24Å; K3-I7 WeakPolarHBondContact O-CG1 3.36Å; K3-I7 PolarHBondContact O-N 3.32Å; K3-I7 VanDerWaalsContact O-N 3.11Å; L4-I7 PolarHBondContact O-N 3.39Å; I7-G9 PolarHBondContact O-N 3.49Å; I7-C10 PolarHBondContact O-N 3.35Å; I7-L11 HydrophobicContact CG2-CD1 3.97Å; I7-L11 HydrophobicContact CG2-CG 4.48Å; I7-L11 VanDerWaalsContact O-CG 3.31Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 3.29Å
8	S	76.4	Confident	72.7	Confident	40 Å²	40	85.4 Å²	85.4	28%	0.28	46%	0.456	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176.5	66	0	0	0	0	112.6	L4 T5 I6 C10 L11 F12	L4-S8 PolarHBondContact O-N 3.35Å; L4-S8 PolarHBondContact O-OG 2.92Å; T5-S8 WeakPolarHBondContact CA-OG 3.37Å; T5-S8 PolarHBondContact O-N 3.45Å; T5-S8 PolarHBondContact O-OG 2.98Å; I6-S8 VanDerWaalsContact C-N 3.32Å; I6-S8 PolarHBondContact O-N 3.05Å; S8-C10 PolarHBondContact O-N 3.35Å; S8-L11 PolarHBondContact O-N 3.33Å; S8-F12 WeakPolarHBondContact O-CD2 3.33Å; S8-F12 PolarHBondContact O-N 3.03Å
9	G	73.6	Confident	72.4	Confident	14 Å²	14	81.3 Å²	81.3	14%	0.144	44%	0.435	C	S	.	.	H	α-helix	trans	-62.5	-43.6	177.6	0	0	0	0	0	112.5	T5 I6 I7 L11 F12 L13	T5-G9 PolarHBondContact O-N 3.27Å; I6-G9 PolarHBondContact O-N 2.76Å; I6-G9 VanDerWaalsContact O-N 3.16Å; I7-G9 PolarHBondContact O-N 3.49Å; G9-L11 PolarHBondContact O-N 3.32Å; G9-F12 PolarHBondContact O-N 2.83Å; G9-L13 PolarHBondContact O-N 3.3Å
10	C	75.6	Confident	72.1	Confident	78 Å²	78	81.5 Å²	81.5	53%	0.527	44%	0.435	S	S	.	.	H	α-helix	trans	-62.4	-41.4	175.4	-65.4	0	0	0	0	112.3	I6 I7 S8 L13 A14	I6-C10 PolarHBondContact O-N 3.45Å; I6-C10 PolarHBondContact O-SG 3.11Å; I6-C10 VanDerWaalsContact O-SG 3.34Å; I7-C10 PolarHBondContact O-N 3.35Å; S8-C10 PolarHBondContact O-N 3.35Å; C10-L13 PolarHBondContact O-N 2.99Å; C10-A14 WeakPolarHBondContact O-CB 3.27Å; C10-A14 PolarHBondContact O-N 3.25Å
11	L	76.3	Confident	71.7	Confident	115 Å²	115	79.8 Å²	79.8	60%	0.602	43%	0.433	S	S	*	.	H	α-helix	trans	-65.7	-39.1	177.9	-70.7	170.2	0	0	0	112.1	I7 S8 G9 A14 A15	I7-L11 HydrophobicContact CG2-CD1 3.97Å; I7-L11 HydrophobicContact CG2-CG 4.48Å; I7-L11 VanDerWaalsContact O-CG 3.31Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 3.29Å; S8-L11 PolarHBondContact O-N 3.33Å; G9-L11 PolarHBondContact O-N 3.32Å; L11-A14 PolarHBondContact O-N 2.84Å; L11-A15 WeakPolarHBondContact O-CB 3.06Å; L11-A15 PolarHBondContact O-N 3.49Å
12	F	74.2	Confident	72	Confident	46 Å²	46	77.5 Å²	77.5	20%	0.202	43%	0.429	C	S	.	.	H	α-helix	trans	-66.9	-40.7	175.9	-73.7	-58.3	0	0	0	112.5	S8 G9 A15 D16 L79 L86 A103 M107	S8-F12 WeakPolarHBondContact O-CD2 3.33Å; S8-F12 PolarHBondContact O-N 3.03Å; G9-F12 PolarHBondContact O-N 2.83Å; F12-A15 PolarHBondContact O-N 3.38Å; F12-D16 PolarHBondContact O-N 3.35Å; F12-L79 HydrophobicContact CB-CD2 4.4Å; F12-L79 HydrophobicContact CD1-CD2 3.59Å; F12-L79 HydrophobicContact CE1-CD2 4.31Å; F12-L79 HydrophobicContact CG-CD2 4.37Å; F12-L86 HydrophobicContact CD2-CD1 4.24Å; F12-A103 HydrophobicContact CE1-CB 4.44Å; F12-A103 HydrophobicContact CZ-CB 4.07Å; F12-M107 HydrophobicContact CE1-SD 4.24Å
13	L	71.5	Confident	71.5	Confident	88 Å²	88	75.2 Å²	75.2	46%	0.461	42%	0.416	S	S	.	.	H	α-helix	trans	-63.9	-42.1	174	-77.6	170.6	0	0	0	112.3	G9 C10 A15 D16 I17 C83	G9-L13 PolarHBondContact O-N 3.3Å; C10-L13 PolarHBondContact O-N 2.99Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 2.97Å; L13-D16 PolarHBondContact O-N 3.48Å; L13-I17 WeakPolarHBondContact O-CG1 3.39Å; L13-I17 PolarHBondContact O-N 2.95Å; L13-C83 HydrophobicContact CD2-CB 4.08Å
14	A	69.9	Low	70.3	Confident	38 Å²	38	70.2 Å²	70.2	31%	0.314	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-42.9	175.6	0	0	0	0	0	111.3	C10 L11 D16 I17 F18	C10-A14 WeakPolarHBondContact O-CB 3.27Å; C10-A14 PolarHBondContact O-N 3.25Å; L11-A14 PolarHBondContact O-N 2.84Å; A14-D16 VanDerWaalsContact C-N 3.34Å; A14-D16 PolarHBondContact O-N 2.75Å; A14-I17 PolarHBondContact O-N 3.34Å; A14-F18 HydrophobicContact CB-CE2 4.36Å; A14-F18 WeakPolarHBondContact O-CD2 2.99Å; A14-F18 WeakPolarHBondContact O-CG 3.43Å; A14-F18 PolarHBondContact O-N 3.11Å
15	A	71.4	Confident	69	Low	43 Å²	43	69 Å²	69	36%	0.355	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-40.1	176.3	0	0	0	0	0	112.6	L11 F12 L13 F18 A19	L11-A15 WeakPolarHBondContact O-CB 3.06Å; L11-A15 PolarHBondContact O-N 3.49Å; F12-A15 PolarHBondContact O-N 3.38Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 2.97Å; A15-F18 PolarHBondContact O-N 3.47Å; A15-A19 WeakPolarHBondContact O-CB 3.22Å; A15-A19 PolarHBondContact O-N 2.98Å
16	D	70.3	Confident	67.6	Low	17 Å²	17	70.5 Å²	70.5	9%	0.091	41%	0.413	C	S	.	.	H	α-helix	trans	-63.1	-45.8	176.5	-162.2	48.9	0	0	0	111.5	F12 L13 A14 F18 A19 I20 I76	F12-D16 PolarHBondContact O-N 3.35Å; L13-D16 PolarHBondContact O-N 3.48Å; A14-D16 VanDerWaalsContact C-N 3.34Å; A14-D16 PolarHBondContact O-N 2.75Å; D16-F18 PolarHBondContact O-N 3.04Å; D16-A19 PolarHBondContact O-N 2.76Å; D16-I20 VanDerWaalsContact O-CG1 3.3Å; D16-I20 WeakPolarHBondContact O-CG1 3.39Å; D16-I20 PolarHBondContact O-N 3.42Å; D16-I76 WeakPolarHBondContact OD1-CB 3.13Å
17	I	71.5	Confident	66.3	Low	112 Å²	112	70.6 Å²	70.6	57%	0.574	41%	0.414	S	S	*	.	H	α-helix	trans	-61.5	-44.5	176	-66.1	167	0	0	0	111	L13 A14 A19 I20 A21	L13-I17 WeakPolarHBondContact O-CG1 3.39Å; L13-I17 PolarHBondContact O-N 2.95Å; A14-I17 PolarHBondContact O-N 3.34Å; I17-A19 VanDerWaalsContact C-N 3.33Å; I17-A19 PolarHBondContact O-N 3.4Å; I17-I20 PolarHBondContact O-N 2.87Å; I17-A21 WeakPolarHBondContact O-CB 3.45Å; I17-A21 PolarHBondContact O-N 2.8Å
18	F	71.4	Confident	64.7	Low	154 Å²	154	69.5 Å²	69.5	68%	0.675	40%	0.404	S	S	*	.	H	α-helix	trans	-65.4	-36.1	177.5	-73.8	-56.1	0	0	0	112.6	A14 A15 D16 S22	A14-F18 HydrophobicContact CB-CE2 4.36Å; A14-F18 WeakPolarHBondContact O-CD2 2.99Å; A14-F18 WeakPolarHBondContact O-CG 3.43Å; A14-F18 PolarHBondContact O-N 3.11Å; A15-F18 PolarHBondContact O-N 3.47Å; D16-F18 PolarHBondContact O-N 3.04Å; F18-S22 WeakPolarHBondContact O-CB 3.24Å; F18-S22 PolarHBondContact O-N 3.49Å; F18-S22 PolarHBondContact O-OG 3.47Å
19	A	66.4	Low	63.1	Low	8 Å²	8	71.2 Å²	71.2	7%	0.066	41%	0.409	C	S	.	.	H	α-helix	trans	-68.8	-39.7	175.4	0	0	0	0	0	112.4	A15 D16 I17 S22 I23 I76 F110	A15-A19 WeakPolarHBondContact O-CB 3.22Å; A15-A19 PolarHBondContact O-N 2.98Å; D16-A19 PolarHBondContact O-N 2.76Å; I17-A19 VanDerWaalsContact C-N 3.33Å; I17-A19 PolarHBondContact O-N 3.4Å; A19-S22 PolarHBondContact O-OG 3.05Å; A19-I23 WeakPolarHBondContact O-CG1 3.29Å; A19-I23 PolarHBondContact O-N 2.92Å; A19-I76 HydrophobicContact CB-CD1 4.26Å; A19-I76 HydrophobicContact CB-CG1 4.1Å; A19-F110 HydrophobicContact CB-CE1 3.6Å; A19-F110 HydrophobicContact CB-CZ 3.61Å
20	I	65.8	Low	61.5	Low	85 Å²	85	75.3 Å²	75.3	44%	0.436	43%	0.428	S	S	.	.	H	α-helix	trans	-68.7	-42.5	175	-65.9	164.8	0	0	0	110.1	D16 I17 S22 I23 A24 I76	D16-I20 VanDerWaalsContact O-CG1 3.3Å; D16-I20 WeakPolarHBondContact O-CG1 3.39Å; D16-I20 PolarHBondContact O-N 3.42Å; I17-I20 PolarHBondContact O-N 2.87Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 3.41Å; I20-I23 PolarHBondContact O-N 3.21Å; I20-A24 WeakPolarHBondContact O-CB 3.42Å; I20-A24 PolarHBondContact O-N 2.93Å; I20-I76 HydrophobicContact CG1-CD1 3.96Å
21	A	63.8	Low	60	Low	46 Å²	46	75.1 Å²	75.1	38%	0.38	42%	0.424	S	S	.	.	H	α-helix	trans	-63.5	-35.9	177.7	0	0	0	0	0	112.4	I17 I23 A24 N25	I17-A21 WeakPolarHBondContact O-CB 3.45Å; I17-A21 PolarHBondContact O-N 2.8Å; A21-I23 VanDerWaalsContact C-N 3.31Å; A21-I23 PolarHBondContact O-N 3.5Å; A21-A24 PolarHBondContact O-N 3.27Å; A21-N25 WeakPolarHBondContact O-CB 3.3Å; A21-N25 PolarHBondContact O-N 3.05Å
22	S	61.8	Low	58.4	Low	78 Å²	78	72.4 Å²	72.4	55%	0.545	43%	0.425	S	S	.	.	H	α-helix	trans	-69.8	-27.1	176.4	68.6	0	0	0	0	113.2	F18 A19 I20	F18-S22 WeakPolarHBondContact O-CB 3.24Å; F18-S22 PolarHBondContact O-N 3.49Å; F18-S22 PolarHBondContact O-OG 3.47Å; A19-S22 PolarHBondContact O-OG 3.05Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 3.41Å
23	I	62	Low	57.1	Low	67 Å²	67	78.9 Å²	78.9	34%	0.344	46%	0.455	S	S	.	.	H	α-helix	trans	-79.8	-39.7	172.1	-61.8	166.6	0	0	0	111.3	A19 I20 A21 N25 I72 I76	A19-I23 WeakPolarHBondContact O-CG1 3.29Å; A19-I23 PolarHBondContact O-N 2.92Å; I20-I23 PolarHBondContact O-N 3.21Å; A21-I23 VanDerWaalsContact C-N 3.31Å; A21-I23 PolarHBondContact O-N 3.5Å; I23-N25 VanDerWaalsContact C-N 3.3Å; I23-N25 PolarHBondContact O-N 3.5Å; I23-I72 HydrophobicContact CD1-CG2 3.49Å; I23-I72 VanDerWaalsContact CD1-CG2 3.49Å; I23-I72 HydrophobicContact CG1-CG2 4.08Å; I23-I76 HydrophobicContact CD1-CD1 3.54Å
24	A	52.5	Low	55.8	Low	74 Å²	74	79.5 Å²	79.5	61%	0.612	47%	0.467	S	S	*	.	H	α-helix	trans	-73.8	-21.4	-176.4	0	0	0	0	0	113	I20 A21 P26	I20-A24 WeakPolarHBondContact O-CB 3.42Å; I20-A24 PolarHBondContact O-N 2.93Å; A21-A24 PolarHBondContact O-N 3.27Å; A24-P26 VanDerWaalsContact O-CD 3.26Å; A24-P26 WeakPolarHBondContact O-CD 3.39Å
25	N	49.3	Very low	54.3	Low	113 Å²	113	82.8 Å²	82.8	60%	0.604	48%	0.483	S	S	*	.			trans	-75.9	115.6	174.6	-103.6	-7.2	0	0	0	110.9	A21 I23 D27	A21-N25 WeakPolarHBondContact O-CB 3.3Å; A21-N25 PolarHBondContact O-N 3.05Å; I23-N25 VanDerWaalsContact C-N 3.3Å; I23-N25 PolarHBondContact O-N 3.5Å; N25-D27 VanDerWaalsContact C-N 3.26Å; N25-D27 PolarHBondContact O-N 3.3Å
26	P	42.4	Very low	52.9	Low	77 Å²	77	81.7 Å²	81.7	50%	0.5	48%	0.476	S	S	.	.	S	Bend	trans	-78.2	-6	-177.7	32.5	-35.4	0	0	0	114.1	A24	A24-P26 VanDerWaalsContact O-CD 3.26Å; A24-P26 WeakPolarHBondContact O-CD 3.39Å
27	D	46.8	Very low	51.3	Low	91 Å²	91	82.7 Å²	82.7	49%	0.487	49%	0.487	S	S	.	.			trans	-109.8	57.5	-172.6	-91.1	-52.8	0	0	0	113.1	N25 N30	N25-D27 VanDerWaalsContact C-N 3.26Å; N25-D27 PolarHBondContact O-N 3.3Å; D27-N30 PolarHBondContact OD1-ND2 2.9Å
28	W	45.4	Very low	49.7	Very low	76 Å²	76	78.9 Å²	78.9	29%	0.288	47%	0.468	S	S	.	.	S	Bend	trans	-87.5	-21.5	176.6	44.6	-57.1	0	0	0	111.1	V40 G41 L42 W65 F117	W28-V40 HydrophobicContact CH2-CG1 4.36Å; W28-V40 HydrophobicContact CZ2-CB 4.12Å; W28-V40 HydrophobicContact CZ2-CG1 3.86Å; W28-V40 WeakPolarHBondContact CZ2-O 3.35Å; W28-V40 VanDerWaalsContact NE1-C 3.28Å; W28-V40 PolarHBondContact NE1-O 3.34Å; W28-G41 VanDerWaalsContact CE2-C 3.5Å; W28-L42 HydrophobicContact CD2-CB 4.47Å; W28-L42 HydrophobicContact CE3-CB 4.43Å; W28-L42 HydrophobicContact CH2-CB 3.53Å; W28-L42 HydrophobicContact CH2-CD1 3.36Å; W28-L42 HydrophobicContact CH2-CG 3.97Å; W28-L42 HydrophobicContact CZ2-CB 3.65Å; W28-L42 HydrophobicContact CZ2-CD1 4.35Å; W28-L42 HydrophobicContact CZ3-CB 3.92Å; W28-L42 HydrophobicContact CZ3-CD1 3.47Å; W28-L42 VanDerWaalsContact CZ3-CD1 3.47Å; W28-L42 HydrophobicContact CZ3-CG 4.13Å; W28-W65 HydrophobicContact CE3-CZ3 4.45Å; W28-W65 AromaticContact CH2-CE3 3.54Å; W28-W65 HydrophobicContact CH2-CE3 3.54Å; W28-W65 AromaticContact CH2-CZ3 3.25Å; W28-W65 HydrophobicContact CH2-CZ3 3.25Å; W28-W65 HydrophobicContact CZ2-CZ3 4.42Å; W28-W65 AromaticContact CZ3-CE3 3.68Å; W28-W65 HydrophobicContact CZ3-CE3 3.68Å; W28-W65 HydrophobicContact CZ3-CH2 4.39Å; W28-W65 AromaticContact CZ3-CZ3 3.28Å; W28-W65 HydrophobicContact CZ3-CZ3 3.28Å; W28-F117 AromaticContact CE3-CE2 3.86Å; W28-F117 HydrophobicContact CE3-CE2 3.86Å; W28-F117 HydrophobicContact CE3-CZ 4.17Å; W28-F117 AromaticContact CZ3-CE2 3.9Å; W28-F117 HydrophobicContact CZ3-CE2 3.9Å
29	I	42.2	Very low	48.2	Very low	75 Å²	75	73.8 Å²	73.8	39%	0.385	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	114.6	163.9	-156.3	140.8	0	0	0	109.8	V40	I29-V40 HydrophobicContact CG2-CB 3.61Å; I29-V40 HydrophobicContact CG2-CG2 3.52Å
30	N	40.6	Very low	47.2	Very low	101 Å²	101	74.6 Å²	74.6	54%	0.54	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	100.1	176.6	-156.1	-39.7	0	0	0	107.1	D27 G32	D27-N30 PolarHBondContact OD1-ND2 2.9Å; N30-G32 PolarHBondContact O-N 3.45Å
31	T	44.8	Very low	46.5	Very low	73 Å²	73	71.3 Å²	71.3	45%	0.448	44%	0.44	S	S	.	.			trans	-78.3	82.3	170.8	48.4	0	0	0	0	107.9	E33 L38	T31-E33 PolarHBondContact O-N 3.24Å; T31-L38 PolarHBondContact OG1-O 2.85Å
32	G	42.4	Very low	45.8	Very low	59 Å²	59	70.4 Å²	70.4	61%	0.608	43%	0.429	S	S	*	.			trans	-63.5	122.4	173.1	0	0	0	0	0	110.9	N30	N30-G32 PolarHBondContact O-N 3.45Å
33	E	47.8	Very low	44.9	Very low	181 Å²	181	71.8 Å²	71.8	85%	0.846	43%	0.434	S	S	*	.	S	Bend	trans	78.1	95.8	151.9	-140.3	151.5	-160.3	0	0	115.2	T31	T31-E33 PolarHBondContact O-N 3.24Å
34	S	42.4	Very low	44	Very low	101 Å²	101	76.1 Å²	76.1	71%	0.706	45%	0.446	S	S	*	.	S	Bend		-172.6	138	71.7	-50.1	0	0	0	0	107.6
35	T	38.9	Very low	43.7	Very low	107 Å²	107	75.7 Å²	75.7	66%	0.656	43%	0.431	S	S	*	.	S	Bend	trans	72.2	27.2	171.7	-36.1	0	0	0	0	116.4	H50	T35-H50 WeakPolarHBondContact CA-NE2 2.96Å; T35-H50 WeakPolarHBondContact CG2-NE2 3.2Å
36	G	41.8	Very low	43.7	Very low	20 Å²	20	71.5 Å²	71.5	21%	0.206	41%	0.411	C	S	.	.			trans	154.1	71.3	174.5	0	0	0	0	0	113.7	L38 T48	G36-L38 PolarHBondContact O-N 3.22Å; G36-T48 WeakPolarHBondContact CA-O 3.45Å
37	A	36.4	Very low	43.7	Very low	39 Å²	39	71.9 Å²	71.9	32%	0.322	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	115	178.6	0	0	0	0	0	109.4	T48	A37-T48 PolarHBondContact O-N 3.48Å; A37-T48 PolarHBondContact O-OG1 3.34Å
38	L	39.3	Very low	43.6	Very low	32 Å²	32	70.4 Å²	70.4	17%	0.168	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	89.3	-177.1	-172.7	83.4	0	0	0	107.4	T31 G36 V40 Q45 Q47	T31-L38 PolarHBondContact OG1-O 2.85Å; G36-L38 PolarHBondContact O-N 3.22Å; L38-V40 HydrophobicContact CD2-CG2 3.76Å; L38-V40 HydrophobicContact CG-CG2 3.99Å; L38-V40 PolarHBondContact O-N 3.18Å; L38-V40 VanDerWaalsContact O-N 3.14Å; L38-Q45 HydrophobicContact CD1-CG 3.55Å; L38-Q45 HydrophobicContact CD2-CG 4.31Å; L38-Q45 HydrophobicContact CG-CG 4.02Å; L38-Q47 HydrophobicContact CB-CG 4.26Å; L38-Q47 HydrophobicContact CD1-CB 3.56Å; L38-Q47 VanDerWaalsContact CD1-CD 3.47Å; L38-Q47 HydrophobicContact CD1-CG 3.37Å; L38-Q47 HydrophobicContact CG-CG 4.46Å
39	T	39.9	Very low	43.6	Very low	46 Å²	46	71.5 Å²	71.5	28%	0.282	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	100.6	167	48.5	0	0	0	0	107.1	G41 C46	T39-G41 PolarHBondContact O-N 3.48Å; T39-C46 PolarHBondContact N-O 3.31Å; T39-C46 PolarHBondContact O-N 3.47Å; T39-C46 VanDerWaalsContact O-N 3.15Å; T39-C46 PolarHBondContact OG1-O 2.97Å; T39-C46 VanDerWaalsContact OG1-O 3.12Å
40	V	45.4	Very low	43.5	Very low	25 Å²	25	74.3 Å²	74.3	15%	0.152	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.9	171.2	-158.4	0	0	0	0	104.3	W28 I29 L38 Q45	W28-V40 HydrophobicContact CH2-CG1 4.36Å; W28-V40 HydrophobicContact CZ2-CB 4.12Å; W28-V40 HydrophobicContact CZ2-CG1 3.86Å; W28-V40 WeakPolarHBondContact CZ2-O 3.35Å; W28-V40 VanDerWaalsContact NE1-C 3.28Å; W28-V40 PolarHBondContact NE1-O 3.34Å; I29-V40 HydrophobicContact CG2-CB 3.61Å; I29-V40 HydrophobicContact CG2-CG2 3.52Å; L38-V40 HydrophobicContact CD2-CG2 3.76Å; L38-V40 HydrophobicContact CG-CG2 3.99Å; L38-V40 PolarHBondContact O-N 3.18Å; L38-V40 VanDerWaalsContact O-N 3.14Å; V40-Q45 HydrophobicContact CG1-CG 4.44Å
41	G	51	Low	43.9	Very low	16 Å²	16	74 Å²	74	17%	0.165	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.2	164.9	0	0	0	0	0	108.8	W28 T39 V43 R44	W28-G41 VanDerWaalsContact CE2-C 3.5Å; T39-G41 PolarHBondContact O-N 3.48Å; G41-V43 PolarHBondContact O-N 3.4Å; G41-R44 VanDerWaalsContact CA-O 3.23Å; G41-R44 WeakPolarHBondContact CA-O 3.49Å; G41-R44 PolarHBondContact N-O 3.04Å; G41-R44 CarbonylContact O-C 3.54Å; G41-R44 PolarHBondContact O-N 3.36Å; G41-R44 VanDerWaalsContact O-O 3.11Å
42	L	49.3	Very low	43.8	Very low	28 Å²	28	80.4 Å²	80.4	15%	0.147	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-9.6	-170.5	-172.9	59.1	0	0	0	112.7	W28 W65 L69	W28-L42 HydrophobicContact CD2-CB 4.47Å; W28-L42 HydrophobicContact CE3-CB 4.43Å; W28-L42 HydrophobicContact CH2-CB 3.53Å; W28-L42 HydrophobicContact CH2-CD1 3.36Å; W28-L42 HydrophobicContact CH2-CG 3.97Å; W28-L42 HydrophobicContact CZ2-CB 3.65Å; W28-L42 HydrophobicContact CZ2-CD1 4.35Å; W28-L42 HydrophobicContact CZ3-CB 3.92Å; W28-L42 HydrophobicContact CZ3-CD1 3.47Å; W28-L42 VanDerWaalsContact CZ3-CD1 3.47Å; W28-L42 HydrophobicContact CZ3-CG 4.13Å; L42-W65 HydrophobicContact CD1-CB 4.27Å; L42-W65 HydrophobicContact CD1-CE3 3.72Å; L42-L69 HydrophobicContact CB-CD2 4.39Å; L42-L69 HydrophobicContact CD1-CD1 4.43Å; L42-L69 HydrophobicContact CD1-CG 4.19Å; L42-L69 HydrophobicContact CD2-CD1 4.45Å; L42-L69 HydrophobicContact CD2-CD2 3.26Å; L42-L69 HydrophobicContact CD2-CG 3.6Å; L42-L69 HydrophobicContact CG-CD1 3.87Å; L42-L69 HydrophobicContact CG-CD2 3.53Å; L42-L69 HydrophobicContact CG-CG 3.56Å; L42-L69 WeakPolarHBondContact O-CD1 3Å
43	V	42.4	Very low	43.9	Very low	107 Å²	107	85.1 Å²	85.1	65%	0.648	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-10.1	176.6	-163.9	0	0	0	0	113.3	G41 L69	G41-V43 PolarHBondContact O-N 3.4Å; V43-L69 HydrophobicContact CG2-CD1 4.36Å
44	R	42.3	Very low	43.8	Very low	158 Å²	158	86.2 Å²	86.2	60%	0.596	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.7	117.2	-177.3	-84.6	-89.2	179.3	140.8	-4.4	109.9	G41 C56	G41-R44 VanDerWaalsContact CA-O 3.23Å; G41-R44 WeakPolarHBondContact CA-O 3.49Å; G41-R44 PolarHBondContact N-O 3.04Å; G41-R44 CarbonylContact O-C 3.54Å; G41-R44 PolarHBondContact O-N 3.36Å; G41-R44 VanDerWaalsContact O-O 3.11Å; R44-C56 VanDerWaalsContact NH1-CB 3.25Å
45	Q	46.1	Very low	43.8	Very low	64 Å²	64	85.4 Å²	85.4	30%	0.299	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	108.7	164.5	-170.7	161	-36	0	0	107.1	L38 V40 P59	L38-Q45 HydrophobicContact CD1-CG 3.55Å; L38-Q45 HydrophobicContact CD2-CG 4.31Å; L38-Q45 HydrophobicContact CG-CG 4.02Å; V40-Q45 HydrophobicContact CG1-CG 4.44Å; Q45-P59 HydrophobicContact CB-CG 3.39Å; Q45-P59 VanDerWaalsContact CD-CG 3.42Å; Q45-P59 HydrophobicContact CG-CG 3.91Å
46	C	50.9	Low	44.4	Very low	26 Å²	26	82.1 Å²	82.1	18%	0.176	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.7	176.2	-58.9	0	0	0	0	107.7	T39 C56	T39-C46 PolarHBondContact N-O 3.31Å; T39-C46 PolarHBondContact O-N 3.47Å; T39-C46 VanDerWaalsContact O-N 3.15Å; T39-C46 PolarHBondContact OG1-O 2.97Å; T39-C46 VanDerWaalsContact OG1-O 3.12Å; C46-C56 HydrophobicContact CB-CB 4.2Å; C46-C56 WeakPolarHBondContact CB-SG 3.31Å; C46-C56 WeakPolarHBondContact SG-CB 3.46Å; C46-C56 CovalentContact SG-SG 2.06Å; C46-C56 PolarHBondContact SG-SG 3.44Å
47	Q	42.4	Very low	44.6	Very low	84 Å²	84	86.9 Å²	86.9	39%	0.393	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.9	-178.6	-154.6	169.6	2.4	0	0	108.3	L38 I49	L38-Q47 HydrophobicContact CB-CG 4.26Å; L38-Q47 HydrophobicContact CD1-CB 3.56Å; L38-Q47 VanDerWaalsContact CD1-CD 3.47Å; L38-Q47 HydrophobicContact CD1-CG 3.37Å; L38-Q47 HydrophobicContact CG-CG 4.46Å; Q47-I49 HydrophobicContact CG-CG1 4.28Å; Q47-I49 PolarHBondContact O-N 2.99Å
48	T	42.8	Very low	44.7	Very low	60 Å²	60	90.3 Å²	90.3	37%	0.368	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	94.3	175.9	22.3	0	0	0	0	110.2	G36 A37 R54	G36-T48 WeakPolarHBondContact CA-O 3.45Å; A37-T48 PolarHBondContact O-N 3.48Å; A37-T48 PolarHBondContact O-OG1 3.34Å; T48-R54 HydrophobicContact CG2-CG 3.97Å
49	I	47.3	Very low	44.9	Very low	99 Å²	99	90.8 Å²	90.8	51%	0.508	48%	0.476	S	S	.	.			trans	-92.6	110.8	174.1	-57.7	172.8	0	0	0	108.3	Q47	Q47-I49 HydrophobicContact CG-CG1 4.28Å; Q47-I49 PolarHBondContact O-N 2.99Å
50	H	39.8	Very low	45.3	Very low	134 Å²	134	100.4 Å²	100.4	62%	0.62	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	25.2	95	167.7	-73.6	-72.8	0	0	0	118.6	T35 R52	T35-H50 WeakPolarHBondContact CA-NE2 2.96Å; T35-H50 WeakPolarHBondContact CG2-NE2 3.2Å; H50-R52 VanDerWaalsContact C-N 3.29Å; H50-R52 PolarHBondContact O-N 2.99Å; H50-R52 VanDerWaalsContact O-N 3.1Å
51	G	48.8	Very low	45.5	Very low	94 Å²	94	102.4 Å²	102.4	97%	0.969	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	3.4	154.4	0	0	0	0	0	117.6
52	R	42.7	Very low	45.8	Very low	209 Å²	209	103.8 Å²	103.8	79%	0.789	52%	0.523	S	S	*	.	S	Bend	trans	-134.1	149.8	172.6	-159.8	77.9	-154.1	-156	8.3	111.1	H50	H50-R52 VanDerWaalsContact C-N 3.29Å; H50-R52 PolarHBondContact O-N 2.99Å; H50-R52 VanDerWaalsContact O-N 3.1Å
53	E	44.7	Very low	46.4	Very low	157 Å²	157	106.8 Å²	106.8	73%	0.734	54%	0.544	S	S	*	.			trans	-16.7	132	-178.7	-129.2	170.9	165.6	0	0	117.5	T55	E53-T55 PolarHBondContact O-N 3.45Å
54	R	45.8	Very low	47.2	Very low	205 Å²	205	103.6 Å²	103.6	77%	0.774	52%	0.522	S	S	*	.			trans	-59.2	92.4	179.7	-65.9	-172.6	179.7	158.5	-0.5	111.7	T48 C56	T48-R54 HydrophobicContact CG2-CG 3.97Å; R54-C56 PolarHBondContact O-N 2.97Å
55	T	41.4	Very low	48.3	Very low	83 Å²	83	98 Å²	98	51%	0.509	50%	0.501	S	S	.	.			trans	-84	105.9	173	49.3	0	0	0	0	109.9	E53 I57	E53-T55 PolarHBondContact O-N 3.45Å; T55-I57 PolarHBondContact O-N 2.98Å
56	C	51.6	Low	49.5	Very low	38 Å²	38	98.5 Å²	98.5	26%	0.257	51%	0.508	S	S	.	.	B	Isolated β-bridge	trans	-86.3	105.2	170.6	-58.6	0	0	0	0	109	R44 C46 R54	R44-C56 VanDerWaalsContact NH1-CB 3.25Å; C46-C56 HydrophobicContact CB-CB 4.2Å; C46-C56 WeakPolarHBondContact CB-SG 3.31Å; C46-C56 WeakPolarHBondContact SG-CB 3.46Å; C46-C56 CovalentContact SG-SG 2.06Å; C46-C56 PolarHBondContact SG-SG 3.44Å; R54-C56 PolarHBondContact O-N 2.97Å
57	I	45.4	Very low	50.6	Low	120 Å²	120	100.2 Å²	100.2	62%	0.615	52%	0.518	S	S	*	.			trans	-96.9	125.2	177	-59.7	168.6	0	0	0	106.6	T55 P59	T55-I57 PolarHBondContact O-N 2.98Å; I57-P59 WeakPolarHBondContact O-CD 3.34Å
58	P	39.8	Very low	52.2	Low	111 Å²	111	96.4 Å²	96.4	72%	0.721	50%	0.501	S	S	*	.			trans	-70.4	109.5	176.6	28.2	-30.1	0	0	0	108.4
59	P	44	Very low	53.6	Low	43 Å²	43	94.8 Å²	94.8	28%	0.279	49%	0.489	S	S	.	.			trans	-68.3	157.2	169.9	4.9	12.2	0	0	0	107.9	Q45 I57 L61	Q45-P59 HydrophobicContact CB-CG 3.39Å; Q45-P59 VanDerWaalsContact CD-CG 3.42Å; Q45-P59 HydrophobicContact CG-CG 3.91Å; I57-P59 WeakPolarHBondContact O-CD 3.34Å; P59-L61 VanDerWaalsContact C-N 3.26Å; P59-L61 VanDerWaalsContact O-CD1 3.31Å; P59-L61 WeakPolarHBondContact O-CD1 3.48Å; P59-L61 PolarHBondContact O-N 3.46Å
60	R	46.4	Very low	55.2	Low	247 Å²	247	95.7 Å²	95.7	93%	0.932	49%	0.49	S	S	*	.			trans	-60.7	93.5	164.8	-78.4	-79.3	-176.3	151.5	-0.8	107.9	P62	R60-P62 WeakPolarHBondContact O-CD 3.49Å
61	L	50.6	Low	57.2	Low	67 Å²	67	92.1 Å²	92.1	35%	0.351	47%	0.473	S	S	.	.			trans	-57.8	125.5	177.3	-97.2	70.6	0	0	0	108.2	P59 V66	P59-L61 VanDerWaalsContact C-N 3.26Å; P59-L61 VanDerWaalsContact O-CD1 3.31Å; P59-L61 WeakPolarHBondContact O-CD1 3.48Å; P59-L61 PolarHBondContact O-N 3.46Å; L61-V66 HydrophobicContact CB-CG2 4.15Å; L61-V66 HydrophobicContact CD2-CG2 4.39Å
62	P	58.1	Low	58.6	Low	46 Å²	46	88.8 Å²	88.8	30%	0.299	43%	0.433	S	S	.	.			trans	-56.9	133.6	172.5	-17.8	28.9	0	0	0	108.7	R60 E64 W65	R60-P62 WeakPolarHBondContact O-CD 3.49Å; P62-E64 WeakPolarHBondContact CA-OE2 3.4Å; P62-E64 WeakPolarHBondContact CB-OE2 3.39Å; P62-E64 PolarHBondContact O-N 2.97Å; P62-W65 PolarHBondContact O-N 3.24Å
63	P	60.6	Low	60.6	Low	91 Å²	91	83 Å²	83	59%	0.591	42%	0.416	S	S	*	.	H	α-helix	trans	-55.7	-22	-174.9	22	-33.2	0	0	0	113.4	W65 V66 T67	P63-W65 VanDerWaalsContact C-N 3.29Å; P63-W65 PolarHBondContact O-N 3.16Å; P63-V66 PolarHBondContact O-N 3.28Å; P63-T67 WeakPolarHBondContact O-CG2 2.95Å; P63-T67 PolarHBondContact O-N 3.35Å; P63-T67 PolarHBondContact O-OG1 3.03Å
64	E	60.1	Low	62.4	Low	40 Å²	40	79.3 Å²	79.3	19%	0.187	40%	0.4	C	S	.	.	H	α-helix	trans	-67.7	-27.6	179.4	-49.8	89.5	167.6	0	0	112.8	P62 T67 T68 I123 K127	P62-E64 WeakPolarHBondContact CA-OE2 3.4Å; P62-E64 WeakPolarHBondContact CB-OE2 3.39Å; P62-E64 PolarHBondContact O-N 2.97Å; E64-T67 WeakPolarHBondContact CA-OG1 3.34Å; E64-T67 PolarHBondContact O-OG1 3.37Å; E64-T68 PolarHBondContact O-N 3.46Å; E64-T68 PolarHBondContact O-OG1 3.05Å; E64-I123 HydrophobicContact CB-CD1 4.31Å; E64-I123 HydrophobicContact CG-CD1 3.59Å; E64-K127 IonicContact OE1-NZ 3.93Å
65	W	65.3	Low	64.2	Low	39 Å²	39	69.5 Å²	69.5	15%	0.148	36%	0.363	C	S	.	.	H	α-helix	trans	-84.9	-33.2	178.9	-61.8	56.1	0	0	0	110	W28 L42 P62 P63 T68 L69 F121	W28-W65 HydrophobicContact CE3-CZ3 4.45Å; W28-W65 AromaticContact CH2-CE3 3.54Å; W28-W65 HydrophobicContact CH2-CE3 3.54Å; W28-W65 AromaticContact CH2-CZ3 3.25Å; W28-W65 HydrophobicContact CH2-CZ3 3.25Å; W28-W65 HydrophobicContact CZ2-CZ3 4.42Å; W28-W65 AromaticContact CZ3-CE3 3.68Å; W28-W65 HydrophobicContact CZ3-CE3 3.68Å; W28-W65 HydrophobicContact CZ3-CH2 4.39Å; W28-W65 AromaticContact CZ3-CZ3 3.28Å; W28-W65 HydrophobicContact CZ3-CZ3 3.28Å; L42-W65 HydrophobicContact CD1-CB 4.27Å; L42-W65 HydrophobicContact CD1-CE3 3.72Å; P62-W65 PolarHBondContact O-N 3.24Å; P63-W65 VanDerWaalsContact C-N 3.29Å; P63-W65 PolarHBondContact O-N 3.16Å; W65-T68 PolarHBondContact O-N 3.23Å; W65-L69 WeakPolarHBondContact O-CB 3.34Å; W65-L69 PolarHBondContact O-N 3.02Å; W65-F121 HydrophobicContact CH2-CD1 4.33Å; W65-F121 AromaticContact CH2-CE1 3.51Å; W65-F121 HydrophobicContact CH2-CE1 3.51Å; W65-F121 HydrophobicContact CH2-CE2 4.24Å; W65-F121 AromaticContact CH2-CZ 3.45Å; W65-F121 HydrophobicContact CH2-CZ 3.45Å; W65-F121 VanDerWaalsContact CH2-CZ 3.45Å; W65-F121 HydrophobicContact CZ2-CD1 4.25Å; W65-F121 AromaticContact CZ2-CE1 3.87Å; W65-F121 HydrophobicContact CZ2-CE1 3.87Å; W65-F121 HydrophobicContact CZ2-CE2 4.44Å; W65-F121 AromaticContact CZ2-CZ 3.97Å; W65-F121 HydrophobicContact CZ2-CZ 3.97Å; W65-F121 HydrophobicContact CZ3-CZ 4.29Å
66	V	70.9	Confident	66.2	Low	76 Å²	76	66.8 Å²	66.8	46%	0.461	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-41.8	172	-178.7	0	0	0	0	110.9	L61 P63 L69 F70	L61-V66 HydrophobicContact CB-CG2 4.15Å; L61-V66 HydrophobicContact CD2-CG2 4.39Å; P63-V66 PolarHBondContact O-N 3.28Å; V66-L69 PolarHBondContact O-N 3.23Å; V66-F70 WeakPolarHBondContact O-CB 3.49Å; V66-F70 PolarHBondContact O-N 3.09Å
67	T	74.3	Confident	67.8	Low	61 Å²	61	69.1 Å²	69.1	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-66.6	-40.6	175.1	55.4	0	0	0	0	111.5	P63 E64 F70 F71	P63-T67 WeakPolarHBondContact O-CG2 2.95Å; P63-T67 PolarHBondContact O-N 3.35Å; P63-T67 PolarHBondContact O-OG1 3.03Å; E64-T67 WeakPolarHBondContact CA-OG1 3.34Å; E64-T67 PolarHBondContact O-OG1 3.37Å; T67-F70 WeakPolarHBondContact O-CB 3.36Å; T67-F70 PolarHBondContact O-N 3.02Å; T67-F71 WeakPolarHBondContact O-CD2 3.36Å; T67-F71 PolarHBondContact O-N 3.33Å
68	T	75.1	Confident	69.7	Low	5 Å²	5	64.1 Å²	64.1	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-47.5	174.1	-57.3	0	0	0	0	111.6	E64 W65 F70 F71 I72 A113 I116 F117	E64-T68 PolarHBondContact O-N 3.46Å; E64-T68 PolarHBondContact O-OG1 3.05Å; W65-T68 PolarHBondContact O-N 3.23Å; T68-F70 VanDerWaalsContact C-N 3.34Å; T68-F70 PolarHBondContact O-N 2.66Å; T68-F71 PolarHBondContact O-N 3.42Å; T68-I72 HydrophobicContact CG2-CD1 3.97Å; T68-I72 VanDerWaalsContact O-CG1 3.29Å; T68-I72 WeakPolarHBondContact O-CG1 3.26Å; T68-I72 PolarHBondContact O-N 3.38Å; T68-A113 HydrophobicContact CG2-CB 4.39Å; T68-I116 WeakPolarHBondContact OG1-CG2 3.33Å; T68-F117 HydrophobicContact CG2-CB 4.26Å
69	L	73.7	Confident	71.6	Confident	25 Å²	25	59 Å²	59	13%	0.131	30%	0.296	C	S	.	.	H	α-helix	trans	-56.5	-46.4	173.5	-86.6	172.8	0	0	0	112.4	L42 V43 W65 V66 F71 I72 I73	L42-L69 HydrophobicContact CB-CD2 4.39Å; L42-L69 HydrophobicContact CD1-CD1 4.43Å; L42-L69 HydrophobicContact CD1-CG 4.19Å; L42-L69 HydrophobicContact CD2-CD1 4.45Å; L42-L69 HydrophobicContact CD2-CD2 3.26Å; L42-L69 HydrophobicContact CD2-CG 3.6Å; L42-L69 HydrophobicContact CG-CD1 3.87Å; L42-L69 HydrophobicContact CG-CD2 3.53Å; L42-L69 HydrophobicContact CG-CG 3.56Å; L42-L69 WeakPolarHBondContact O-CD1 3Å; V43-L69 HydrophobicContact CG2-CD1 4.36Å; W65-L69 WeakPolarHBondContact O-CB 3.34Å; W65-L69 PolarHBondContact O-N 3.02Å; V66-L69 PolarHBondContact O-N 3.23Å; L69-F71 VanDerWaalsContact C-N 3.34Å; L69-F71 PolarHBondContact O-N 2.91Å; L69-I72 PolarHBondContact O-N 2.72Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.44Å; L69-I73 PolarHBondContact O-N 3.26Å
70	F	81.1	Confident	73.5	Confident	118 Å²	118	60.4 Å²	60.4	52%	0.518	30%	0.304	S	S	.	.	H	α-helix	trans	-59.5	-44.5	178.2	178.8	-96.9	0	0	0	111.7	V66 T67 T68 I72 I73 M74	V66-F70 WeakPolarHBondContact O-CB 3.49Å; V66-F70 PolarHBondContact O-N 3.09Å; T67-F70 WeakPolarHBondContact O-CB 3.36Å; T67-F70 PolarHBondContact O-N 3.02Å; T68-F70 VanDerWaalsContact C-N 3.34Å; T68-F70 PolarHBondContact O-N 2.66Å; F70-I72 PolarHBondContact O-N 3.03Å; F70-I73 PolarHBondContact O-N 3.5Å; F70-M74 HydrophobicContact CD1-CG 4.3Å; F70-M74 HydrophobicContact CD2-CG 4.5Å; F70-M74 HydrophobicContact CE1-CG 3.88Å; F70-M74 HydrophobicContact CE2-CG 4.11Å; F70-M74 HydrophobicContact CZ-CG 3.78Å; F70-M74 HydrophobicContact CZ-SD 4.27Å; F70-M74 WeakPolarHBondContact O-CB 3.49Å; F70-M74 WeakPolarHBondContact O-CG 3.41Å; F70-M74 PolarHBondContact O-N 2.95Å
71	F	80.6	Confident	75.3	Confident	59 Å²	59	51.8 Å²	51.8	26%	0.259	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-38.1	177	-73.9	-57.6	0	0	0	112.9	T67 T68 L69 G75 L109 A113 I116	T67-F71 WeakPolarHBondContact O-CD2 3.36Å; T67-F71 PolarHBondContact O-N 3.33Å; T68-F71 PolarHBondContact O-N 3.42Å; L69-F71 VanDerWaalsContact C-N 3.34Å; L69-F71 PolarHBondContact O-N 2.91Å; F71-G75 PolarHBondContact O-N 2.88Å; F71-L109 HydrophobicContact CD1-CD2 3.76Å; F71-L109 HydrophobicContact CE1-CD2 4.13Å; F71-A113 HydrophobicContact CB-CB 3.92Å; F71-I116 HydrophobicContact CD2-CD1 3.47Å; F71-I116 VanDerWaalsContact CD2-CD1 3.47Å; F71-I116 HydrophobicContact CE2-CD1 3.41Å; F71-I116 VanDerWaalsContact CE2-CD1 3.41Å; F71-I116 HydrophobicContact CZ-CD1 4.49Å
72	I	79.4	Confident	77	Confident	25 Å²	25	48.7 Å²	48.7	13%	0.128	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-47.1	175.6	-66.3	169.1	0	0	0	110.6	I23 T68 L69 F70 G75 I76 F110 A113	I23-I72 HydrophobicContact CD1-CG2 3.49Å; I23-I72 VanDerWaalsContact CD1-CG2 3.49Å; I23-I72 HydrophobicContact CG1-CG2 4.08Å; T68-I72 HydrophobicContact CG2-CD1 3.97Å; T68-I72 VanDerWaalsContact O-CG1 3.29Å; T68-I72 WeakPolarHBondContact O-CG1 3.26Å; T68-I72 PolarHBondContact O-N 3.38Å; L69-I72 PolarHBondContact O-N 2.72Å; F70-I72 PolarHBondContact O-N 3.03Å; I72-G75 CarbonylContact O-C 3.54Å; I72-G75 WeakPolarHBondContact O-CA 3.32Å; I72-G75 PolarHBondContact O-N 3.26Å; I72-G75 VanDerWaalsContact O-N 3.14Å; I72-I76 HydrophobicContact CG2-CD1 4.13Å; I72-I76 WeakPolarHBondContact O-CG1 3.2Å; I72-I76 PolarHBondContact O-N 3.48Å; I72-F110 HydrophobicContact CG2-CE1 4.41Å; I72-A113 HydrophobicContact CD1-CB 4.41Å; I72-A113 HydrophobicContact CG1-CB 3.61Å
73	I	83.3	Confident	78	Confident	86 Å²	86	47.2 Å²	47.2	44%	0.441	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-47.9	179.6	-68	166.8	0	0	0	111	L69 F70 G75 I76 I77	L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.44Å; L69-I73 PolarHBondContact O-N 3.26Å; F70-I73 PolarHBondContact O-N 3.5Å; I73-G75 PolarHBondContact O-N 3.48Å; I73-I76 PolarHBondContact O-N 3.03Å; I73-I77 HydrophobicContact CG2-CD1 3.95Å; I73-I77 WeakPolarHBondContact O-CG1 3.44Å; I73-I77 PolarHBondContact O-N 3.4Å
74	M	83.2	Confident	79	Confident	80 Å²	80	44.8 Å²	44.8	39%	0.394	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-35.7	175.8	-71	-64.3	-66.6	0	0	111.7	F70 S78 L109	F70-M74 HydrophobicContact CD1-CG 4.3Å; F70-M74 HydrophobicContact CD2-CG 4.5Å; F70-M74 HydrophobicContact CE1-CG 3.88Å; F70-M74 HydrophobicContact CE2-CG 4.11Å; F70-M74 HydrophobicContact CZ-CG 3.78Å; F70-M74 HydrophobicContact CZ-SD 4.27Å; F70-M74 WeakPolarHBondContact O-CB 3.49Å; F70-M74 WeakPolarHBondContact O-CG 3.41Å; F70-M74 PolarHBondContact O-N 2.95Å; M74-S78 WeakPolarHBondContact O-CB 3.2Å; M74-S78 PolarHBondContact O-N 2.88Å; M74-S78 VanDerWaalsContact O-N 3.09Å; M74-S78 PolarHBondContact O-OG 3.29Å; M74-L109 HydrophobicContact CB-CD1 4.17Å
75	G	83.9	Confident	80	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-53.7	170.8	0	0	0	0	0	112.6	F71 I72 I73 I77 S78 L79 F110	F71-G75 PolarHBondContact O-N 2.88Å; I72-G75 CarbonylContact O-C 3.54Å; I72-G75 WeakPolarHBondContact O-CA 3.32Å; I72-G75 PolarHBondContact O-N 3.26Å; I72-G75 VanDerWaalsContact O-N 3.14Å; I73-G75 PolarHBondContact O-N 3.48Å; G75-I77 PolarHBondContact O-N 3.43Å; G75-S78 PolarHBondContact O-N 3.38Å; G75-S78 PolarHBondContact O-OG 3.21Å; G75-L79 PolarHBondContact O-N 3.34Å; G75-F110 VanDerWaalsContact CA-CE2 3.48Å
76	I	82.3	Confident	80.5	Confident	25 Å²	25	44.4 Å²	44.4	13%	0.128	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-42.6	-177.8	-44.9	160.4	0	0	0	110.2	D16 A19 I20 I23 I72 I73 S78 L79 T80 F110	D16-I76 WeakPolarHBondContact OD1-CB 3.13Å; A19-I76 HydrophobicContact CB-CD1 4.26Å; A19-I76 HydrophobicContact CB-CG1 4.1Å; I20-I76 HydrophobicContact CG1-CD1 3.96Å; I23-I76 HydrophobicContact CD1-CD1 3.54Å; I72-I76 HydrophobicContact CG2-CD1 4.13Å; I72-I76 WeakPolarHBondContact O-CG1 3.2Å; I72-I76 PolarHBondContact O-N 3.48Å; I73-I76 PolarHBondContact O-N 3.03Å; I76-S78 VanDerWaalsContact C-N 3.26Å; I76-S78 PolarHBondContact O-N 3.04Å; I76-L79 CarbonylContact O-C 3.45Å; I76-L79 WeakPolarHBondContact O-CB 3.33Å; I76-L79 PolarHBondContact O-N 2.84Å; I76-T80 PolarHBondContact O-N 3.13Å; I76-T80 PolarHBondContact O-OG1 3.37Å; I76-F110 HydrophobicContact CG1-CZ 3.75Å
77	I	85.9	Confident	80.9	Confident	88 Å²	88	46 Å²	46	45%	0.451	26%	0.257	S	S	.	.	H	α-helix	trans	-55.4	-45	177.1	-66.2	167.6	0	0	0	110.5	I73 G75 T80 V81	I73-I77 HydrophobicContact CG2-CD1 3.95Å; I73-I77 WeakPolarHBondContact O-CG1 3.44Å; I73-I77 PolarHBondContact O-N 3.4Å; G75-I77 PolarHBondContact O-N 3.43Å; I77-T80 PolarHBondContact O-N 2.89Å; I77-V81 HydrophobicContact CG2-CG2 4.41Å; I77-V81 WeakPolarHBondContact O-CB 3.39Å; I77-V81 WeakPolarHBondContact O-CG2 3.4Å; I77-V81 PolarHBondContact O-N 2.92Å
78	S	85.4	Confident	81.1	Confident	14 Å²	14	45.6 Å²	45.6	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-36.5	178.1	71.5	0	0	0	0	113.3	M74 G75 I76 T82 I102 G106	M74-S78 WeakPolarHBondContact O-CB 3.2Å; M74-S78 PolarHBondContact O-N 2.88Å; M74-S78 VanDerWaalsContact O-N 3.09Å; M74-S78 PolarHBondContact O-OG 3.29Å; G75-S78 PolarHBondContact O-N 3.38Å; G75-S78 PolarHBondContact O-OG 3.21Å; I76-S78 VanDerWaalsContact C-N 3.26Å; I76-S78 PolarHBondContact O-N 3.04Å; S78-T82 WeakPolarHBondContact O-CB 3.31Å; S78-T82 PolarHBondContact O-N 3.1Å; S78-T82 PolarHBondContact O-OG1 3.33Å; S78-I102 WeakPolarHBondContact O-CG2 3.49Å; S78-G106 WeakPolarHBondContact OG-CA 3.45Å
79	L	79.7	Confident	81.1	Confident	3 Å²	3	46 Å²	46	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-67.9	-43.6	174	-77.6	172.1	0	0	0	111.7	F12 G75 I76 T82 C83 F110	F12-L79 HydrophobicContact CB-CD2 4.4Å; F12-L79 HydrophobicContact CD1-CD2 3.59Å; F12-L79 HydrophobicContact CE1-CD2 4.31Å; F12-L79 HydrophobicContact CG-CD2 4.37Å; G75-L79 PolarHBondContact O-N 3.34Å; I76-L79 CarbonylContact O-C 3.45Å; I76-L79 WeakPolarHBondContact O-CB 3.33Å; I76-L79 PolarHBondContact O-N 2.84Å; L79-T82 WeakPolarHBondContact O-CB 3.44Å; L79-T82 PolarHBondContact O-N 2.86Å; L79-C83 PolarHBondContact O-N 2.79Å; L79-C83 PolarHBondContact O-SG 3.14Å; L79-F110 HydrophobicContact CD1-CD2 3.92Å; L79-F110 HydrophobicContact CD1-CE2 3.21Å; L79-F110 HydrophobicContact CD1-CZ 3.85Å; L79-F110 HydrophobicContact CG-CE2 4.02Å
80	T	84.1	Confident	81.2	Confident	73 Å²	73	50.7 Å²	50.7	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-62.7	-44.4	177.4	-44.5	0	0	0	0	110.8	I76 I77 T82 C83 G84	I76-T80 PolarHBondContact O-N 3.13Å; I76-T80 PolarHBondContact O-OG1 3.37Å; I77-T80 PolarHBondContact O-N 2.89Å; T80-T82 VanDerWaalsContact C-N 3.34Å; T80-T82 PolarHBondContact O-N 2.06Å; T80-C83 PolarHBondContact O-N 2.94Å; T80-G84 PolarHBondContact O-N 3.49Å
81	V	85	Confident	81	Confident	67 Å²	67	55.9 Å²	55.9	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-40.5	174.6	172.1	0	0	0	0	111	I77 C83 G84 L85 I102	I77-V81 HydrophobicContact CG2-CG2 4.41Å; I77-V81 WeakPolarHBondContact O-CB 3.39Å; I77-V81 WeakPolarHBondContact O-CG2 3.4Å; I77-V81 PolarHBondContact O-N 2.92Å; V81-C83 PolarHBondContact O-N 3.35Å; V81-G84 PolarHBondContact O-N 3.25Å; V81-L85 HydrophobicContact CG1-CD1 3.88Å; V81-L85 HydrophobicContact CG1-CG 4.28Å; V81-L85 WeakPolarHBondContact O-CB 3.35Å; V81-L85 VanDerWaalsContact O-CG 3.29Å; V81-L85 WeakPolarHBondContact O-CG 3.42Å; V81-L85 PolarHBondContact O-N 2.98Å; V81-I102 HydrophobicContact CB-CG2 4.47Å; V81-I102 HydrophobicContact CG1-CD1 4.11Å; V81-I102 HydrophobicContact CG1-CG2 4.26Å
82	T	84.9	Confident	80.4	Confident	1 Å²	1	62 Å²	62	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-44.8	174.6	-61.6	0	0	0	0	111.3	S78 L79 T80 L85 L86 I102 A103	S78-T82 WeakPolarHBondContact O-CB 3.31Å; S78-T82 PolarHBondContact O-N 3.1Å; S78-T82 PolarHBondContact O-OG1 3.33Å; L79-T82 WeakPolarHBondContact O-CB 3.44Å; L79-T82 PolarHBondContact O-N 2.86Å; T80-T82 VanDerWaalsContact C-N 3.34Å; T80-T82 PolarHBondContact O-N 2.06Å; T82-L85 PolarHBondContact O-N 3.45Å; T82-L86 HydrophobicContact CG2-CD1 4.09Å; T82-L86 HydrophobicContact CG2-CG 4.39Å; T82-L86 WeakPolarHBondContact O-CB 3.47Å; T82-L86 VanDerWaalsContact O-CG 3.27Å; T82-L86 WeakPolarHBondContact O-CG 3.23Å; T82-L86 PolarHBondContact O-N 3.18Å; T82-I102 WeakPolarHBondContact OG1-CG2 3.46Å; T82-A103 HydrophobicContact CG2-CB 3.7Å; T82-A103 PolarHBondContact OG1-N 2.91Å
83	C	79.3	Confident	79.8	Confident	15 Å²	15	70.9 Å²	70.9	10%	0.101	35%	0.353	C	S	.	.	H	α-helix	trans	-61.7	-45.9	176.5	-67.4	0	0	0	0	111.2	L13 L79 T80 V81 L85 L86 V87	L13-C83 HydrophobicContact CD2-CB 4.08Å; L79-C83 PolarHBondContact O-N 2.79Å; L79-C83 PolarHBondContact O-SG 3.14Å; T80-C83 PolarHBondContact O-N 2.94Å; V81-C83 PolarHBondContact O-N 3.35Å; C83-L85 PolarHBondContact O-N 2.91Å; C83-L86 PolarHBondContact O-N 3.4Å; C83-V87 WeakPolarHBondContact O-CG2 3.49Å; C83-V87 PolarHBondContact O-N 2.93Å
84	G	82	Confident	79.2	Confident	41 Å²	41	73.1 Å²	73.1	42%	0.423	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-42.1	174.9	0	0	0	0	0	112.9	T80 V81 V87 A88	T80-G84 PolarHBondContact O-N 3.49Å; V81-G84 PolarHBondContact O-N 3.25Å; G84-V87 PolarHBondContact O-N 2.98Å; G84-A88 WeakPolarHBondContact O-CB 3.11Å; G84-A88 PolarHBondContact O-N 3.28Å
85	L	81.6	Confident	78.5	Confident	43 Å²	43	70.1 Å²	70.1	23%	0.225	35%	0.349	C	S	.	.	H	α-helix	trans	-69.4	-34.3	176.4	-73.3	172.6	0	0	0	112.7	V81 T82 C83 S89 A99 I102	V81-L85 HydrophobicContact CG1-CD1 3.88Å; V81-L85 HydrophobicContact CG1-CG 4.28Å; V81-L85 WeakPolarHBondContact O-CB 3.35Å; V81-L85 VanDerWaalsContact O-CG 3.29Å; V81-L85 WeakPolarHBondContact O-CG 3.42Å; V81-L85 PolarHBondContact O-N 2.98Å; T82-L85 PolarHBondContact O-N 3.45Å; C83-L85 PolarHBondContact O-N 2.91Å; L85-S89 WeakPolarHBondContact O-CA 3.31Å; L85-S89 WeakPolarHBondContact O-CB 3.43Å; L85-S89 PolarHBondContact O-N 3.35Å; L85-A99 HydrophobicContact CB-CB 3.95Å; L85-I102 HydrophobicContact CD1-CD1 3.36Å
86	L	74.8	Confident	77.9	Confident	28 Å²	28	73.4 Å²	73.4	15%	0.147	37%	0.369	C	S	.	.	H	α-helix	trans	-66.3	-38.7	173.4	-74.7	172.8	0	0	0	111.3	T5 F12 T82 C83 S89 H90 A99	T5-L86 HydrophobicContact CG2-CD2 4.22Å; F12-L86 HydrophobicContact CD2-CD1 4.24Å; T82-L86 HydrophobicContact CG2-CD1 4.09Å; T82-L86 HydrophobicContact CG2-CG 4.39Å; T82-L86 WeakPolarHBondContact O-CB 3.47Å; T82-L86 VanDerWaalsContact O-CG 3.27Å; T82-L86 WeakPolarHBondContact O-CG 3.23Å; T82-L86 PolarHBondContact O-N 3.18Å; C83-L86 PolarHBondContact O-N 3.4Å; L86-S89 PolarHBondContact O-N 2.99Å; L86-H90 PolarHBondContact O-N 3.27Å; L86-A99 HydrophobicContact CD2-CB 4.2Å; L86-A99 HydrophobicContact CG-CB 4.37Å
87	V	79.3	Confident	77.7	Confident	110 Å²	110	79.1 Å²	79.1	67%	0.667	39%	0.393	S	S	*	.	H	α-helix	trans	-67.2	-48.6	173.3	174.7	0	0	0	0	110.8	C83 G84 S89 H90	C83-V87 WeakPolarHBondContact O-CG2 3.49Å; C83-V87 PolarHBondContact O-N 2.93Å; G84-V87 PolarHBondContact O-N 2.98Å; V87-S89 PolarHBondContact O-N 3.38Å; V87-H90 WeakPolarHBondContact O-CB 3.48Å; V87-H90 PolarHBondContact O-N 3.04Å
88	A	79.6	Confident	77.3	Confident	51 Å²	51	82.6 Å²	82.6	42%	0.421	40%	0.402	S	S	.	.	H	α-helix	trans	-63.2	-32.5	176.9	0	0	0	0	0	112.2	G84 H90 W91 R92	G84-A88 WeakPolarHBondContact O-CB 3.11Å; G84-A88 PolarHBondContact O-N 3.28Å; A88-H90 PolarHBondContact O-N 3.12Å; A88-W91 PolarHBondContact O-N 2.55Å; A88-R92 PolarHBondContact O-N 2.97Å; A88-R92 VanDerWaalsContact O-N 3.13Å
89	S	75.2	Confident	77	Confident	13 Å²	13	82 Å²	82	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-66.5	-19.9	176	-174.4	0	0	0	0	113.3	L85 L86 V87 W91 R92 T96	L85-S89 WeakPolarHBondContact O-CA 3.31Å; L85-S89 WeakPolarHBondContact O-CB 3.43Å; L85-S89 PolarHBondContact O-N 3.35Å; L86-S89 PolarHBondContact O-N 2.99Å; V87-S89 PolarHBondContact O-N 3.38Å; S89-W91 PolarHBondContact O-N 3.23Å; S89-R92 WeakPolarHBondContact CA-O 3.29Å; S89-R92 CarbonylContact O-C 3.37Å; S89-R92 PolarHBondContact O-N 3.47Å; S89-T96 WeakPolarHBondContact OG-CG2 3Å
90	H	74.4	Confident	77	Confident	124 Å²	124	91.7 Å²	91.7	57%	0.574	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-32.8	169.8	-170.9	-74.5	0	0	0	110.9	M1 L86 V87 A88	M1-H90 HydrophobicContact CE-CB 4.19Å; M1-H90 HydrophobicContact SD-CB 4.18Å; M1-H90 PolarHBondContact SD-CD2 3.17Å; L86-H90 PolarHBondContact O-N 3.27Å; V87-H90 WeakPolarHBondContact O-CB 3.48Å; V87-H90 PolarHBondContact O-N 3.04Å; A88-H90 PolarHBondContact O-N 3.12Å
91	W	76.4	Confident	76.9	Confident	228 Å²	228	97.5 Å²	97.5	86%	0.864	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-32	179.3	-136.8	-79.2	0	0	0	113.1	A88 S89	A88-W91 PolarHBondContact O-N 2.55Å; S89-W91 PolarHBondContact O-N 3.23Å
92	R	68.3	Low	76.9	Confident	187 Å²	187	96.8 Å²	96.8	71%	0.706	44%	0.442	S	S	*	.			trans	-135.1	104.8	-175.8	-64	-82.8	-85.1	-135.5	-6.1	110.3	A88 S89 E94 A95	A88-R92 PolarHBondContact O-N 2.97Å; A88-R92 VanDerWaalsContact O-N 3.13Å; S89-R92 WeakPolarHBondContact CA-O 3.29Å; S89-R92 CarbonylContact O-C 3.37Å; S89-R92 PolarHBondContact O-N 3.47Å; R92-E94 PolarHBondContact O-N 3.38Å; R92-A95 PolarHBondContact O-N 3.47Å; R92-A95 VanDerWaalsContact O-N 3.11Å
93	R	68.1	Low	76.6	Confident	212 Å²	212	97.2 Å²	97.2	80%	0.8	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.3	-177.4	-75.3	-177.9	171.3	-156.3	-2.4	114.7	A95 T96	R93-A95 PolarHBondContact O-N 3.08Å; R93-T96 PolarHBondContact O-N 2.86Å; R93-T96 PolarHBondContact O-OG1 3.23Å
94	E	69.6	Low	76.8	Confident	133 Å²	133	102.7 Å²	102.7	62%	0.621	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.5	178.1	-62.6	-55.4	139.9	0	0	114.1	R92 T96	R92-E94 PolarHBondContact O-N 3.38Å; E94-T96 VanDerWaalsContact C-N 3.26Å; E94-T96 PolarHBondContact O-N 3.48Å
95	A	69.6	Low	76.9	Confident	17 Å²	17	104 Å²	104	14%	0.14	47%	0.467	C	S	.	.	H	α-helix	trans	-72.7	-17.1	-179.7	0	0	0	0	0	113.4	R92 R93 K97 Y98 A99	R92-A95 PolarHBondContact O-N 3.47Å; R92-A95 VanDerWaalsContact O-N 3.11Å; R93-A95 PolarHBondContact O-N 3.08Å; A95-K97 VanDerWaalsContact C-N 3.31Å; A95-K97 PolarHBondContact O-N 2.95Å; A95-Y98 PolarHBondContact O-N 3.15Å; A95-A99 PolarHBondContact O-N 3.42Å
96	T	70	Confident	76.9	Confident	69 Å²	69	102 Å²	102	42%	0.423	46%	0.457	S	S	.	.	H	α-helix	trans	-60.5	-34.7	178	52.7	0	0	0	0	113.7	S89 R93 E94 A99 R100	S89-T96 WeakPolarHBondContact OG-CG2 3Å; R93-T96 PolarHBondContact O-N 2.86Å; R93-T96 PolarHBondContact O-OG1 3.23Å; E94-T96 VanDerWaalsContact C-N 3.26Å; E94-T96 PolarHBondContact O-N 3.48Å; T96-A99 PolarHBondContact O-N 3.26Å; T96-R100 PolarHBondContact O-N 3.45Å
97	K	78.8	Confident	77.3	Confident	144 Å²	144	105.2 Å²	105.2	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-63.3	-44.5	178.8	-83.5	175.6	-178.2	163.3	0	111.3	A95 W101	A95-K97 VanDerWaalsContact C-N 3.31Å; A95-K97 PolarHBondContact O-N 2.95Å; K97-W101 PolarHBondContact O-N 3.39Å
98	Y	78.4	Confident	77.6	Confident	161 Å²	161	103.5 Å²	103.5	63%	0.631	46%	0.459	S	S	*	.	H	α-helix	trans	-70.9	-41.3	179.1	-62.3	-76.8	0	0	0	111.8	A95 R100 W101 I102	A95-Y98 PolarHBondContact O-N 3.15Å; Y98-R100 PolarHBondContact O-N 2.84Å; Y98-W101 PolarHBondContact O-N 2.94Å; Y98-I102 WeakPolarHBondContact O-CG1 3.37Å; Y98-I102 PolarHBondContact O-N 3.24Å
99	A	78.1	Confident	77.6	Confident	3 Å²	3	102.8 Å²	102.8	3%	0.025	45%	0.447	C	S	.	.	H	α-helix	trans	-55.9	-40.3	176.5	0	0	0	0	0	112	L85 L86 A95 T96 A103	L85-A99 HydrophobicContact CB-CB 3.95Å; L86-A99 HydrophobicContact CD2-CB 4.2Å; L86-A99 HydrophobicContact CG-CB 4.37Å; A95-A99 PolarHBondContact O-N 3.42Å; T96-A99 PolarHBondContact O-N 3.26Å; A99-A103 WeakPolarHBondContact O-CB 3.41Å; A99-A103 PolarHBondContact O-N 3.18Å
100	R	78.8	Confident	77.6	Confident	206 Å²	206	104.4 Å²	104.4	78%	0.777	45%	0.453	S	S	*	.	H	α-helix	trans	-69.4	-38.7	-178.3	-158.7	173.6	-171.2	165.1	1.4	113.3	T96 Y98 F104	T96-R100 PolarHBondContact O-N 3.45Å; Y98-R100 PolarHBondContact O-N 2.84Å; R100-F104 WeakPolarHBondContact O-CB 3.33Å; R100-F104 PolarHBondContact O-N 3.14Å; R100-F104 VanDerWaalsContact O-N 3.13Å
101	W	83.4	Confident	77.8	Confident	195 Å²	195	102 Å²	102	74%	0.739	45%	0.449	S	S	*	.	H	α-helix	trans	-67.3	-45.1	175.7	-88.6	94.9	0	0	0	111.5	K97 Y98 F104 T105	K97-W101 PolarHBondContact O-N 3.39Å; Y98-W101 PolarHBondContact O-N 2.94Å; W101-F104 PolarHBondContact O-N 2.94Å; W101-T105 PolarHBondContact O-N 3.44Å; W101-T105 PolarHBondContact O-OG1 3.41Å
102	I	84	Confident	77.9	Confident	52 Å²	52	95.6 Å²	95.6	27%	0.267	43%	0.43	S	S	.	.	H	α-helix	trans	-67.4	-40.4	-179.8	-64	165.2	0	0	0	110.7	S78 V81 T82 L85 Y98 F104 T105 G106	S78-I102 WeakPolarHBondContact O-CG2 3.49Å; V81-I102 HydrophobicContact CB-CG2 4.47Å; V81-I102 HydrophobicContact CG1-CD1 4.11Å; V81-I102 HydrophobicContact CG1-CG2 4.26Å; T82-I102 WeakPolarHBondContact OG1-CG2 3.46Å; L85-I102 HydrophobicContact CD1-CD1 3.36Å; Y98-I102 WeakPolarHBondContact O-CG1 3.37Å; Y98-I102 PolarHBondContact O-N 3.24Å; I102-F104 VanDerWaalsContact C-N 3.33Å; I102-F104 PolarHBondContact O-N 3.18Å; I102-T105 PolarHBondContact O-N 2.98Å; I102-G106 PolarHBondContact O-N 2.94Å
103	A	79	Confident	78.2	Confident	10 Å²	10	86.9 Å²	86.9	8%	0.083	40%	0.398	C	S	.	.	H	α-helix	trans	-58.9	-43.9	173.9	0	0	0	0	0	112	F12 T82 A99 G106 M107	F12-A103 HydrophobicContact CE1-CB 4.44Å; F12-A103 HydrophobicContact CZ-CB 4.07Å; T82-A103 HydrophobicContact CG2-CB 3.7Å; T82-A103 PolarHBondContact OG1-N 2.91Å; A99-A103 WeakPolarHBondContact O-CB 3.41Å; A99-A103 PolarHBondContact O-N 3.18Å; A103-G106 PolarHBondContact O-N 3.41Å; A103-M107 WeakPolarHBondContact O-CG 3.35Å; A103-M107 PolarHBondContact O-N 3.32Å
104	F	83.2	Confident	78.5	Confident	129 Å²	129	79.9 Å²	79.9	57%	0.566	39%	0.386	S	S	*	.	H	α-helix	trans	-64.3	-44.1	179.3	-176.4	-108	0	0	0	111.9	R100 W101 I102 G106 M107 I108	R100-F104 WeakPolarHBondContact O-CB 3.33Å; R100-F104 PolarHBondContact O-N 3.14Å; R100-F104 VanDerWaalsContact O-N 3.13Å; W101-F104 PolarHBondContact O-N 2.94Å; I102-F104 VanDerWaalsContact C-N 3.33Å; I102-F104 PolarHBondContact O-N 3.18Å; F104-G106 VanDerWaalsContact C-N 3.34Å; F104-G106 PolarHBondContact O-N 3.31Å; F104-M107 PolarHBondContact O-N 3.08Å; F104-I108 HydrophobicContact CD1-CD1 3.75Å; F104-I108 HydrophobicContact CE1-CD1 3.34Å; F104-I108 HydrophobicContact CE1-CG1 4.47Å; F104-I108 HydrophobicContact CE2-CD1 4.32Å; F104-I108 HydrophobicContact CG-CD1 4.41Å; F104-I108 HydrophobicContact CZ-CD1 3.66Å; F104-I108 HydrophobicContact CZ-CG1 4.47Å; F104-I108 WeakPolarHBondContact O-CG1 3.49Å; F104-I108 PolarHBondContact O-N 2.92Å
105	T	85.1	Confident	78.9	Confident	69 Å²	69	78.6 Å²	78.6	42%	0.423	38%	0.382	S	S	.	.	H	α-helix	trans	-59.2	-44.7	174.1	-59.5	0	0	0	0	111.5	W101 I102 M107 I108 L109	W101-T105 PolarHBondContact O-N 3.44Å; W101-T105 PolarHBondContact O-OG1 3.41Å; I102-T105 PolarHBondContact O-N 2.98Å; T105-M107 PolarHBondContact O-N 3.34Å; T105-I108 PolarHBondContact O-N 3.5Å; T105-L109 HydrophobicContact CG2-CD1 4.04Å; T105-L109 WeakPolarHBondContact O-CG 3.11Å; T105-L109 PolarHBondContact O-N 3.02Å; T105-L109 VanDerWaalsContact O-N 3.08Å
106	G	80.4	Confident	79	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-60.3	-44.7	177.9	0	0	0	0	0	113.6	S78 I102 A103 F104 I108 L109 F110	S78-G106 WeakPolarHBondContact OG-CA 3.45Å; I102-G106 PolarHBondContact O-N 2.94Å; A103-G106 PolarHBondContact O-N 3.41Å; F104-G106 VanDerWaalsContact C-N 3.34Å; F104-G106 PolarHBondContact O-N 3.31Å; G106-I108 VanDerWaalsContact C-N 3.31Å; G106-I108 PolarHBondContact O-N 3.33Å; G106-L109 PolarHBondContact O-N 2.94Å; G106-F110 WeakPolarHBondContact O-CD2 3.21Å; G106-F110 PolarHBondContact O-N 2.88Å
107	M	83.8	Confident	78.7	Confident	96 Å²	96	80.4 Å²	80.4	47%	0.473	38%	0.383	S	S	.	.	H	α-helix	trans	-61.4	-39.3	177.3	-67.8	-62.7	-68.3	0	0	112.2	F12 A103 F104 T105 C111	F12-M107 HydrophobicContact CE1-SD 4.24Å; A103-M107 WeakPolarHBondContact O-CG 3.35Å; A103-M107 PolarHBondContact O-N 3.32Å; F104-M107 PolarHBondContact O-N 3.08Å; T105-M107 PolarHBondContact O-N 3.34Å; M107-C111 WeakPolarHBondContact O-CB 3.38Å; M107-C111 PolarHBondContact O-N 3.29Å; M107-C111 PolarHBondContact O-SG 3.33Å
108	I	84.9	Confident	78	Confident	74 Å²	74	76.8 Å²	76.8	38%	0.379	37%	0.374	S	S	.	.	H	α-helix	trans	-65.3	-43.5	176.8	-68.2	167.8	0	0	0	111	F104 T105 G106 C111 M112	F104-I108 HydrophobicContact CD1-CD1 3.75Å; F104-I108 HydrophobicContact CE1-CD1 3.34Å; F104-I108 HydrophobicContact CE1-CG1 4.47Å; F104-I108 HydrophobicContact CE2-CD1 4.32Å; F104-I108 HydrophobicContact CG-CD1 4.41Å; F104-I108 HydrophobicContact CZ-CD1 3.66Å; F104-I108 HydrophobicContact CZ-CG1 4.47Å; F104-I108 WeakPolarHBondContact O-CG1 3.49Å; F104-I108 PolarHBondContact O-N 2.92Å; T105-I108 PolarHBondContact O-N 3.5Å; G106-I108 VanDerWaalsContact C-N 3.31Å; G106-I108 PolarHBondContact O-N 3.33Å; I108-C111 PolarHBondContact O-N 3.27Å; I108-M112 HydrophobicContact CG2-CG 4.47Å; I108-M112 WeakPolarHBondContact O-CG 3.42Å; I108-M112 PolarHBondContact O-N 3.1Å
109	L	79.6	Confident	77.3	Confident	36 Å²	36	73.8 Å²	73.8	19%	0.188	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-42.5	179.3	-67.2	168.4	0	0	0	111.5	F71 M74 T105 G106 M112 A113	F71-L109 HydrophobicContact CD1-CD2 3.76Å; F71-L109 HydrophobicContact CE1-CD2 4.13Å; M74-L109 HydrophobicContact CB-CD1 4.17Å; T105-L109 HydrophobicContact CG2-CD1 4.04Å; T105-L109 WeakPolarHBondContact O-CG 3.11Å; T105-L109 PolarHBondContact O-N 3.02Å; T105-L109 VanDerWaalsContact O-N 3.08Å; G106-L109 PolarHBondContact O-N 2.94Å; L109-M112 PolarHBondContact O-N 3.01Å; L109-A113 PolarHBondContact O-N 3.41Å
110	F	76.2	Confident	76.3	Confident	47 Å²	47	73.8 Å²	73.8	21%	0.206	37%	0.368	C	S	.	.	H	α-helix	trans	-62.7	-42.6	173.2	-92.9	-74.1	0	0	0	112.8	A19 I72 G75 I76 L79 G106 M112 A113 A114	A19-F110 HydrophobicContact CB-CE1 3.6Å; A19-F110 HydrophobicContact CB-CZ 3.61Å; I72-F110 HydrophobicContact CG2-CE1 4.41Å; G75-F110 VanDerWaalsContact CA-CE2 3.48Å; I76-F110 HydrophobicContact CG1-CZ 3.75Å; L79-F110 HydrophobicContact CD1-CD2 3.92Å; L79-F110 HydrophobicContact CD1-CE2 3.21Å; L79-F110 HydrophobicContact CD1-CZ 3.85Å; L79-F110 HydrophobicContact CG-CE2 4.02Å; G106-F110 WeakPolarHBondContact O-CD2 3.21Å; G106-F110 PolarHBondContact O-N 2.88Å; F110-M112 VanDerWaalsContact C-N 3.34Å; F110-M112 PolarHBondContact O-N 2.79Å; F110-A113 PolarHBondContact O-N 3.34Å; F110-A114 WeakPolarHBondContact O-CB 3.09Å; F110-A114 PolarHBondContact O-N 2.9Å
111	C	79.2	Confident	75.5	Confident	73 Å²	73	67.5 Å²	67.5	49%	0.493	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-42.1	175.6	-75.4	0	0	0	0	111.8	M107 I108 A114 L115	M107-C111 WeakPolarHBondContact O-CB 3.38Å; M107-C111 PolarHBondContact O-N 3.29Å; M107-C111 PolarHBondContact O-SG 3.33Å; I108-C111 PolarHBondContact O-N 3.27Å; C111-A114 PolarHBondContact O-N 2.97Å; C111-L115 WeakPolarHBondContact O-CG 3.25Å; C111-L115 PolarHBondContact O-N 3.32Å; C111-L115 VanDerWaalsContact O-N 3.1Å
112	M	78.5	Confident	74.1	Confident	95 Å²	95	65.4 Å²	65.4	47%	0.468	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-42.3	175.9	-72.9	-61.6	-175.8	0	0	111.6	I108 L109 F110 A114 L115 I116	I108-M112 HydrophobicContact CG2-CG 4.47Å; I108-M112 WeakPolarHBondContact O-CG 3.42Å; I108-M112 PolarHBondContact O-N 3.1Å; L109-M112 PolarHBondContact O-N 3.01Å; F110-M112 VanDerWaalsContact C-N 3.34Å; F110-M112 PolarHBondContact O-N 2.79Å; M112-A114 VanDerWaalsContact C-N 3.33Å; M112-A114 PolarHBondContact O-N 3.39Å; M112-L115 PolarHBondContact O-N 3.35Å; M112-L115 VanDerWaalsContact O-N 3.13Å; M112-L115 HydrophobicContact SD-CD1 4.45Å; M112-I116 VanDerWaalsContact O-CG1 3.25Å; M112-I116 WeakPolarHBondContact O-CG1 3.24Å; M112-I116 PolarHBondContact O-N 3.17Å
113	A	74.6	Confident	72.5	Confident	3 Å²	3	64.8 Å²	64.8	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-57.9	-44.5	173.2	0	0	0	0	0	112.3	T68 F71 I72 L109 F110 L115 I116 F117	T68-A113 HydrophobicContact CG2-CB 4.39Å; F71-A113 HydrophobicContact CB-CB 3.92Å; I72-A113 HydrophobicContact CD1-CB 4.41Å; I72-A113 HydrophobicContact CG1-CB 3.61Å; L109-A113 PolarHBondContact O-N 3.41Å; F110-A113 PolarHBondContact O-N 3.34Å; A113-L115 PolarHBondContact O-N 2.98Å; A113-I116 PolarHBondContact O-N 3.01Å; A113-F117 WeakPolarHBondContact O-CB 3.36Å; A113-F117 PolarHBondContact O-N 2.79Å; A113-F117 VanDerWaalsContact O-N 3.08Å
114	A	74.2	Confident	71.2	Confident	66 Å²	66	67 Å²	67	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-23.3	178	0	0	0	0	0	113.6	F110 C111 M112 P118	F110-A114 WeakPolarHBondContact O-CB 3.09Å; F110-A114 PolarHBondContact O-N 2.9Å; C111-A114 PolarHBondContact O-N 2.97Å; M112-A114 VanDerWaalsContact C-N 3.33Å; M112-A114 PolarHBondContact O-N 3.39Å; A114-P118 WeakPolarHBondContact O-CD 3.49Å; A114-P118 WeakPolarHBondContact O-CG 3.26Å
115	L	77.1	Confident	69.7	Low	105 Å²	105	67.7 Å²	67.7	55%	0.55	35%	0.352	S	S	.	.	H	α-helix	trans	-87	-37	174.9	-69.1	174.7	0	0	0	112.7	C111 M112 A113 P118 I119	C111-L115 WeakPolarHBondContact O-CG 3.25Å; C111-L115 PolarHBondContact O-N 3.32Å; C111-L115 VanDerWaalsContact O-N 3.1Å; M112-L115 PolarHBondContact O-N 3.35Å; M112-L115 VanDerWaalsContact O-N 3.13Å; M112-L115 HydrophobicContact SD-CD1 4.45Å; A113-L115 PolarHBondContact O-N 2.98Å; L115-P118 VanDerWaalsContact O-CD 3.24Å; L115-P118 WeakPolarHBondContact O-CD 3.32Å; L115-P118 VanDerWaalsContact O-CG 3.26Å; L115-P118 WeakPolarHBondContact O-CG 3.43Å; L115-I119 VanDerWaalsContact O-CD1 3.3Å; L115-I119 WeakPolarHBondContact O-CD1 3.38Å; L115-I119 VanDerWaalsContact O-CG1 3.24Å; L115-I119 WeakPolarHBondContact O-CG1 3.29Å; L115-I119 PolarHBondContact O-N 3.48Å
116	I	71.6	Confident	67.8	Low	39 Å²	39	68.8 Å²	68.8	20%	0.2	35%	0.352	C	S	.	.	H	α-helix	trans	-71.1	-35.2	-179.9	-62.5	162.9	0	0	0	110.6	T68 F71 M112 A113 I119 G120	T68-I116 WeakPolarHBondContact OG1-CG2 3.33Å; F71-I116 HydrophobicContact CD2-CD1 3.47Å; F71-I116 VanDerWaalsContact CD2-CD1 3.47Å; F71-I116 HydrophobicContact CE2-CD1 3.41Å; F71-I116 VanDerWaalsContact CE2-CD1 3.41Å; F71-I116 HydrophobicContact CZ-CD1 4.49Å; M112-I116 VanDerWaalsContact O-CG1 3.25Å; M112-I116 WeakPolarHBondContact O-CG1 3.24Å; M112-I116 PolarHBondContact O-N 3.17Å; A113-I116 PolarHBondContact O-N 3.01Å; I116-I119 PolarHBondContact O-N 2.93Å; I116-G120 PolarHBondContact O-N 2.92Å
117	F	64.3	Low	66	Low	85 Å²	85	74.3 Å²	74.3	37%	0.373	38%	0.376	S	S	.	.	H	α-helix	trans	-52	-55.4	176.8	-175.3	-98.3	0	0	0	113.9	W28 T68 A113 I119 G120 F121	W28-F117 AromaticContact CE3-CE2 3.86Å; W28-F117 HydrophobicContact CE3-CE2 3.86Å; W28-F117 HydrophobicContact CE3-CZ 4.17Å; W28-F117 AromaticContact CZ3-CE2 3.9Å; W28-F117 HydrophobicContact CZ3-CE2 3.9Å; T68-F117 HydrophobicContact CG2-CB 4.26Å; A113-F117 WeakPolarHBondContact O-CB 3.36Å; A113-F117 PolarHBondContact O-N 2.79Å; A113-F117 VanDerWaalsContact O-N 3.08Å; F117-I119 PolarHBondContact O-N 3.13Å; F117-G120 PolarHBondContact O-N 3.48Å; F117-F121 HydrophobicContact CD1-CE2 4.04Å; F117-F121 HydrophobicContact CD2-CE2 4.47Å; F117-F121 AromaticContact CE1-CE2 3.62Å; F117-F121 HydrophobicContact CE1-CE2 3.62Å; F117-F121 HydrophobicContact CE1-CZ 4.34Å; F117-F121 HydrophobicContact CE2-CE2 4.09Å; F117-F121 HydrophobicContact CE2-CZ 4.44Å; F117-F121 HydrophobicContact CG-CE2 4.45Å; F117-F121 AromaticContact CZ-CE2 3.65Å; F117-F121 HydrophobicContact CZ-CE2 3.65Å; F117-F121 AromaticContact CZ-CZ 3.99Å; F117-F121 HydrophobicContact CZ-CZ 3.99Å; F117-F121 WeakPolarHBondContact O-CD2 2.97Å
118	P	63.3	Low	64	Low	69 Å²	69	77.1 Å²	77.1	45%	0.448	39%	0.386	S	S	.	.	H	α-helix	trans	-68.6	-29.6	176.7	25.7	-34.1	0	0	0	113.6	A114 L115 G120 F121 Y122	A114-P118 WeakPolarHBondContact O-CD 3.49Å; A114-P118 WeakPolarHBondContact O-CG 3.26Å; L115-P118 VanDerWaalsContact O-CD 3.24Å; L115-P118 WeakPolarHBondContact O-CD 3.32Å; L115-P118 VanDerWaalsContact O-CG 3.26Å; L115-P118 WeakPolarHBondContact O-CG 3.43Å; P118-G120 VanDerWaalsContact C-N 3.32Å; P118-F121 PolarHBondContact O-N 3.03Å; P118-Y122 PolarHBondContact O-N 3.43Å
119	I	63.4	Low	62.2	Low	98 Å²	98	76.6 Å²	76.6	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-65.7	-39.2	176.6	-67.1	168.3	0	0	0	110.2	L115 I116 F117 F121 Y122 I123	L115-I119 VanDerWaalsContact O-CD1 3.3Å; L115-I119 WeakPolarHBondContact O-CD1 3.38Å; L115-I119 VanDerWaalsContact O-CG1 3.24Å; L115-I119 WeakPolarHBondContact O-CG1 3.29Å; L115-I119 PolarHBondContact O-N 3.48Å; I116-I119 PolarHBondContact O-N 2.93Å; F117-I119 PolarHBondContact O-N 3.13Å; I119-F121 PolarHBondContact O-N 2.86Å; I119-F121 VanDerWaalsContact O-N 3.14Å; I119-Y122 WeakPolarHBondContact O-CB 3.47Å; I119-Y122 PolarHBondContact O-N 3.01Å; I119-I123 HydrophobicContact CG2-CD1 4.4Å; I119-I123 HydrophobicContact CG2-CG1 4.37Å; I119-I123 WeakPolarHBondContact O-CG1 3.49Å; I119-I123 PolarHBondContact O-N 3.34Å
120	G	58.8	Low	60.3	Low	2 Å²	2	79 Å²	79	2%	0.021	41%	0.413	C	S	.	.	H	α-helix	trans	-57.2	-26.1	176.8	0	0	0	0	0	114.6	I116 F117 P118 N124	I116-G120 PolarHBondContact O-N 2.92Å; F117-G120 PolarHBondContact O-N 3.48Å; P118-G120 VanDerWaalsContact C-N 3.32Å; G120-N124 PolarHBondContact O-ND2 2.79Å
121	F	60.5	Low	58.3	Low	75 Å²	75	84.4 Å²	84.4	33%	0.329	44%	0.439	S	S	.	.	H	α-helix	trans	-81.1	-34.7	173.2	-67.6	-79.1	0	0	0	112.6	W65 F117 P118 I119 N124	W65-F121 HydrophobicContact CH2-CD1 4.33Å; W65-F121 AromaticContact CH2-CE1 3.51Å; W65-F121 HydrophobicContact CH2-CE1 3.51Å; W65-F121 HydrophobicContact CH2-CE2 4.24Å; W65-F121 AromaticContact CH2-CZ 3.45Å; W65-F121 HydrophobicContact CH2-CZ 3.45Å; W65-F121 VanDerWaalsContact CH2-CZ 3.45Å; W65-F121 HydrophobicContact CZ2-CD1 4.25Å; W65-F121 AromaticContact CZ2-CE1 3.87Å; W65-F121 HydrophobicContact CZ2-CE1 3.87Å; W65-F121 HydrophobicContact CZ2-CE2 4.44Å; W65-F121 AromaticContact CZ2-CZ 3.97Å; W65-F121 HydrophobicContact CZ2-CZ 3.97Å; W65-F121 HydrophobicContact CZ3-CZ 4.29Å; F117-F121 HydrophobicContact CD1-CE2 4.04Å; F117-F121 HydrophobicContact CD2-CE2 4.47Å; F117-F121 AromaticContact CE1-CE2 3.62Å; F117-F121 HydrophobicContact CE1-CE2 3.62Å; F117-F121 HydrophobicContact CE1-CZ 4.34Å; F117-F121 HydrophobicContact CE2-CE2 4.09Å; F117-F121 HydrophobicContact CE2-CZ 4.44Å; F117-F121 HydrophobicContact CG-CE2 4.45Å; F117-F121 AromaticContact CZ-CE2 3.65Å; F117-F121 HydrophobicContact CZ-CE2 3.65Å; F117-F121 AromaticContact CZ-CZ 3.99Å; F117-F121 HydrophobicContact CZ-CZ 3.99Å; F117-F121 WeakPolarHBondContact O-CD2 2.97Å; P118-F121 PolarHBondContact O-N 3.03Å; I119-F121 PolarHBondContact O-N 2.86Å; I119-F121 VanDerWaalsContact O-N 3.14Å; F121-N124 PolarHBondContact O-N 3.36Å
122	Y	53.6	Low	56.4	Low	151 Å²	151	84 Å²	84	59%	0.592	44%	0.441	S	S	*	.	H	α-helix	trans	-67.2	-41.1	-178.3	-172.5	-95	0	0	0	112.4	P118 I119 N124 E125 E126	P118-Y122 PolarHBondContact O-N 3.43Å; I119-Y122 WeakPolarHBondContact O-CB 3.47Å; I119-Y122 PolarHBondContact O-N 3.01Å; Y122-N124 PolarHBondContact O-N 2.87Å; Y122-E125 PolarHBondContact O-N 3.36Å; Y122-E125 VanDerWaalsContact O-N 3.1Å; Y122-E126 WeakPolarHBondContact CD1-OE1 3.28Å; Y122-E126 VanDerWaalsContact CE1-OE1 3.3Å; Y122-E126 WeakPolarHBondContact CE1-OE1 3.27Å
123	I	52.3	Low	54.5	Low	39 Å²	39	88.2 Å²	88.2	20%	0.2	46%	0.459	C	S	.	.	H	α-helix	trans	-64.7	-22.6	179.6	-1	173.1	0	0	0	113.6	E64 I119 E126 K127	E64-I123 HydrophobicContact CB-CD1 4.31Å; E64-I123 HydrophobicContact CG-CD1 3.59Å; I119-I123 HydrophobicContact CG2-CD1 4.4Å; I119-I123 HydrophobicContact CG2-CG1 4.37Å; I119-I123 WeakPolarHBondContact O-CG1 3.49Å; I119-I123 PolarHBondContact O-N 3.34Å; I123-E126 WeakPolarHBondContact CA-OE1 3.29Å; I123-E126 HydrophobicContact CG2-CG 4.37Å; I123-K127 WeakPolarHBondContact O-CG 3.35Å; I123-K127 PolarHBondContact O-N 3.28Å
124	N	51.1	Low	52.8	Low	55 Å²	55	95.4 Å²	95.4	29%	0.294	50%	0.497	S	S	.	.	H	α-helix	trans	-75.7	-33.7	177.1	-64	-35.2	0	0	0	110.9	G120 F121 Y122 E126 F128	G120-N124 PolarHBondContact O-ND2 2.79Å; F121-N124 PolarHBondContact O-N 3.36Å; Y122-N124 PolarHBondContact O-N 2.87Å; N124-E126 PolarHBondContact O-N 3.12Å; N124-F128 WeakPolarHBondContact O-CB 3.29Å; N124-F128 VanDerWaalsContact O-CD2 3.27Å; N124-F128 WeakPolarHBondContact O-CD2 2.85Å; N124-F128 PolarHBondContact O-N 2.81Å
125	E	50.6	Low	50.7	Low	144 Å²	144	96.5 Å²	96.5	67%	0.673	50%	0.501	S	S	*	.	H	α-helix	trans	-65	-40.9	177.8	-60.8	-166.4	174.7	0	0	111.5	Y122 F128 A129	Y122-E125 PolarHBondContact O-N 3.36Å; Y122-E125 VanDerWaalsContact O-N 3.1Å; E125-F128 PolarHBondContact O-N 2.87Å; E125-A129 PolarHBondContact O-N 3.49Å
126	E	45	Very low	48.9	Very low	92 Å²	92	97.7 Å²	97.7	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-77.4	-28.8	-179.5	46.9	-159.9	170.6	0	0	113.8	Y122 I123 N124 S130	Y122-E126 WeakPolarHBondContact CD1-OE1 3.28Å; Y122-E126 VanDerWaalsContact CE1-OE1 3.3Å; Y122-E126 WeakPolarHBondContact CE1-OE1 3.27Å; I123-E126 WeakPolarHBondContact CA-OE1 3.29Å; I123-E126 HydrophobicContact CG2-CG 4.37Å; N124-E126 PolarHBondContact O-N 3.12Å; E126-S130 PolarHBondContact O-N 2.82Å; E126-S130 PolarHBondContact O-OG 3.01Å
127	K	44.1	Very low	47.6	Very low	116 Å²	116	101.4 Å²	101.4	50%	0.504	54%	0.539	S	S	.	.	H	α-helix	trans	-73	-34.2	167.6	-77	177.1	-177.8	168	0	112.8	E64 I123 A129 S130 Q131	E64-K127 IonicContact OE1-NZ 3.93Å; I123-K127 WeakPolarHBondContact O-CG 3.35Å; I123-K127 PolarHBondContact O-N 3.28Å; K127-A129 VanDerWaalsContact C-N 3.34Å; K127-S130 WeakPolarHBondContact CA-OG 2.95Å; K127-S130 PolarHBondContact O-N 3.35Å; K127-S130 PolarHBondContact O-OG 3.07Å; K127-Q131 PolarHBondContact O-N 2.94Å
128	F	42.2	Very low	46.1	Very low	155 Å²	155	104.6 Å²	104.6	68%	0.68	56%	0.56	S	S	*	*	H	α-helix	trans	-66.8	-36.1	172.1	-97.8	-86.2	0	0	0	111.7	N124 E125 S130 Q131 A132	N124-F128 WeakPolarHBondContact O-CB 3.29Å; N124-F128 VanDerWaalsContact O-CD2 3.27Å; N124-F128 WeakPolarHBondContact O-CD2 2.85Å; N124-F128 PolarHBondContact O-N 2.81Å; E125-F128 PolarHBondContact O-N 2.87Å; F128-S130 VanDerWaalsContact C-N 3.32Å; F128-S130 PolarHBondContact O-N 3.24Å; F128-Q131 CarbonylContact O-C 3.58Å; F128-Q131 PolarHBondContact O-N 3.38Å; F128-A132 VanDerWaalsContact O-CB 3.26Å; F128-A132 WeakPolarHBondContact O-CB 3.35Å; F128-A132 PolarHBondContact O-N 3.37Å
129	A	45.6	Very low	44.8	Very low	64 Å²	64	106.9 Å²	106.9	53%	0.529	58%	0.584	S	S	.	*	H	α-helix	trans	-65	-33.3	175.4	0	0	0	0	0	113.1	E125 K127	E125-A129 PolarHBondContact O-N 3.49Å; K127-A129 VanDerWaalsContact C-N 3.34Å
130	S	39.6	Very low	43.4	Very low	87 Å²	87	107.4 Å²	107.4	61%	0.608	60%	0.597	S	S	*	*	H	α-helix	trans	-79.4	-16.3	174.8	26.6	0	0	0	0	113.6	E126 K127 F128	E126-S130 PolarHBondContact O-N 2.82Å; E126-S130 PolarHBondContact O-OG 3.01Å; K127-S130 WeakPolarHBondContact CA-OG 2.95Å; K127-S130 PolarHBondContact O-N 3.35Å; K127-S130 PolarHBondContact O-OG 3.07Å; F128-S130 VanDerWaalsContact C-N 3.32Å; F128-S130 PolarHBondContact O-N 3.24Å
131	Q	34.1	Very low	42.2	Very low	160 Å²	160	109.8 Å²	109.8	75%	0.748	62%	0.621	S	S	*	*	H	α-helix	trans	-97.6	-6.8	171.1	-158.8	153.3	-66.9	0	0	113.3	K127 F128	K127-Q131 PolarHBondContact O-N 2.94Å; F128-Q131 CarbonylContact O-C 3.58Å; F128-Q131 PolarHBondContact O-N 3.38Å
132	A	39.7	Very low	41.1	Very low	65 Å²	65	112.8 Å²	112.8	54%	0.537	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-86.9	-7.3	179.3	0	0	0	0	0	114.1	F128 D134	F128-A132 VanDerWaalsContact O-CB 3.26Å; F128-A132 WeakPolarHBondContact O-CB 3.35Å; F128-A132 PolarHBondContact O-N 3.37Å; A132-D134 PolarHBondContact O-N 3.19Å
133	E	38.6	Very low	40.6	Very low	183 Å²	183	109.8 Å²	109.8	86%	0.855	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-71.6	-11.2	172.5	-84	-169.4	98.8	0	0	113.6
134	D	39	Very low	40.1	Very low	154 Å²	154	113 Å²	113	82%	0.824	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-106.7	3	-177.2	-97.6	-33	0	0	0	115.9	A132	A132-D134 PolarHBondContact O-N 3.19Å
135	S	30.5	Very low	39.4	Very low	88 Å²	88	115.8 Å²	115.8	62%	0.615	67%	0.672	S	S	*	*			trans	-155.2	107.1	175.6	-89.7	0	0	0	0	114.2	T137	S135-T137 VanDerWaalsContact C-N 3.34Å; S135-T137 PolarHBondContact O-N 3.37Å
136	P	39.3	Very low	38.7	Very low	131 Å²	131	111 Å²	111	85%	0.851	66%	0.657	S	S	*	*			trans	-87.8	63.5	-175.7	37.4	-34.6	0	0	0	111.1
137	T	43.7	Very low	38.4	Very low	116 Å²	116	110.7 Å²	110.7	71%	0.712	66%	0.658	S	S	*	*			trans	-159.9	85.8	172.3	45.6	0	0	0	0	112.5	S135	S135-T137 VanDerWaalsContact C-N 3.34Å; S135-T137 PolarHBondContact O-N 3.37Å
138	L	34.4	Very low	38.2	Very low	153 Å²	153	110.2 Å²	110.2	80%	0.801	66%	0.655	S	S	*	*			trans	-166.9	43.7	149.4	-135.3	71.6	0	0	0	115	S140	L138-S140 PolarHBondContact O-N 2.91Å
139	A	34.2	Very low	38.2	Very low	116 Å²	116	106.8 Å²	106.8	96%	0.959	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	23.6	173.6	0	0	0	0	0	114.3
140	S	34.2	Very low	38.2	Very low	110 Å²	110	109 Å²	109	77%	0.769	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	12.9	-168.2	41	0	0	0	0	115	L138	L138-S140 PolarHBondContact O-N 2.91Å
141	G	34.8	Very low	38.7	Very low	52 Å²	52	112 Å²	112	54%	0.536	65%	0.647	S	S	.	*			trans	-112.3	6.3	-169.7	0	0	0	0	0	117.9	T143	G141-T143 PolarHBondContact O-N 2.93Å
142	L	36.6	Very low	39.5	Very low	138 Å²	138	108.7 Å²	108.7	72%	0.723	64%	0.635	S	S	*	*			trans	-76.6	93.4	178.9	-100.1	77.5	0	0	0	110.5	L147	L142-L147 HydrophobicContact CD2-CD1 4.46Å
143	T	43.8	Very low	39.9	Very low	88 Å²	88	113 Å²	113	54%	0.54	64%	0.642	S	S	.	*			trans	-60.5	138.3	170.8	51.7	0	0	0	0	110.4	G141 E145 A146	G141-T143 PolarHBondContact O-N 2.93Å; T143-E145 PolarHBondContact O-N 2.98Å; T143-A146 WeakPolarHBondContact O-CB 3.44Å; T143-A146 PolarHBondContact O-N 3.27Å
144	P	41.6	Very low	40.6	Very low	106 Å²	106	109.7 Å²	109.7	69%	0.688	63%	0.627	S	S	*	*	H	α-helix	trans	-57.5	-20.1	-175.3	19.3	-31.1	0	0	0	114.8	L147 K148	P144-L147 WeakPolarHBondContact O-CB 3.3Å; P144-L147 PolarHBondContact O-N 3.17Å; P144-K148 PolarHBondContact O-N 3.25Å
145	E	37.1	Very low	40.9	Very low	114 Å²	114	106.7 Å²	106.7	53%	0.533	61%	0.611	S	S	.	*	H	α-helix	trans	-73.1	-34.1	175	-68.5	-59.3	138.9	0	0	113.3	T143 L147 K148 V149	T143-E145 PolarHBondContact O-N 2.98Å; E145-L147 PolarHBondContact O-N 3.48Å; E145-K148 WeakPolarHBondContact O-CB 3.24Å; E145-K148 PolarHBondContact O-N 2.87Å; E145-K148 IonicContact OE1-NZ 3.85Å; E145-K148 WeakPolarHBondContact OE2-CD 3.45Å; E145-K148 IonicContact OE2-NZ 3.97Å; E145-V149 PolarHBondContact O-N 2.96Å
146	A	34.3	Very low	41.6	Very low	42 Å²	42	110.1 Å²	110.1	35%	0.347	61%	0.611	S	S	.	*	H	α-helix	trans	-63.9	-34.2	173.6	0	0	0	0	0	111.2	T143 K148 L150	T143-A146 WeakPolarHBondContact O-CB 3.44Å; T143-A146 PolarHBondContact O-N 3.27Å; A146-K148 VanDerWaalsContact C-N 3.25Å; A146-K148 PolarHBondContact O-N 3.43Å; A146-L150 WeakPolarHBondContact O-CB 3.45Å; A146-L150 PolarHBondContact O-N 3.5Å; A146-L150 VanDerWaalsContact O-N 3.08Å
147	L	40	Very low	41.9	Very low	86 Å²	86	112 Å²	112	45%	0.45	60%	0.601	S	S	.	*	H	α-helix	trans	-71.1	-21.7	176	-145.5	120.4	0	0	0	112.5	L142 P144 E145 R151	L142-L147 HydrophobicContact CD2-CD1 4.46Å; P144-L147 WeakPolarHBondContact O-CB 3.3Å; P144-L147 PolarHBondContact O-N 3.17Å; E145-L147 PolarHBondContact O-N 3.48Å; L147-R151 VanDerWaalsContact O-CB 3.3Å; L147-R151 WeakPolarHBondContact O-CB 3.08Å; L147-R151 PolarHBondContact O-N 3.46Å
148	K	39.4	Very low	42.1	Very low	106 Å²	106	111.1 Å²	111.1	46%	0.461	59%	0.591	S	S	.	*	H	α-helix	trans	-84.8	-41.7	177.3	-163.2	-179.8	-178.8	-176.6	0	111.6	P144 E145 A146 R151 D152	P144-K148 PolarHBondContact O-N 3.25Å; E145-K148 WeakPolarHBondContact O-CB 3.24Å; E145-K148 PolarHBondContact O-N 2.87Å; E145-K148 IonicContact OE1-NZ 3.85Å; E145-K148 WeakPolarHBondContact OE2-CD 3.45Å; E145-K148 IonicContact OE2-NZ 3.97Å; A146-K148 VanDerWaalsContact C-N 3.25Å; A146-K148 PolarHBondContact O-N 3.43Å; K148-R151 CarbonylContact O-C 3.59Å; K148-R151 WeakPolarHBondContact O-CA 3.27Å; K148-R151 WeakPolarHBondContact O-CB 3.48Å; K148-R151 PolarHBondContact O-N 3.19Å; K148-R151 VanDerWaalsContact O-N 3.12Å; K148-D152 PolarHBondContact O-N 3.42Å
149	V	42.4	Very low	42.8	Very low	83 Å²	83	111 Å²	111	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-65.2	-41.1	174.2	177.4	0	0	0	0	111.3	E145 R151 D152 F153	E145-V149 PolarHBondContact O-N 2.96Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 3.14Å; V149-D152 PolarHBondContact O-N 3.33Å; V149-F153 HydrophobicContact CG1-CD2 4.32Å; V149-F153 WeakPolarHBondContact O-CB 3.3Å; V149-F153 PolarHBondContact O-N 2.98Å
150	L	44.9	Very low	43.4	Very low	111 Å²	111	109.8 Å²	109.8	58%	0.581	56%	0.561	S	S	*	*	H	α-helix	trans	-61.8	-37.6	171.4	-86.4	162.6	0	0	0	112	A146 Q154	A146-L150 WeakPolarHBondContact O-CB 3.45Å; A146-L150 PolarHBondContact O-N 3.5Å; A146-L150 VanDerWaalsContact O-N 3.08Å; L150-Q154 VanDerWaalsContact O-CB 3.27Å; L150-Q154 WeakPolarHBondContact O-CB 3.37Å; L150-Q154 WeakPolarHBondContact O-CG 3.33Å; L150-Q154 PolarHBondContact O-N 3.23Å
151	R	51	Low	43.9	Very low	149 Å²	149	111 Å²	111	56%	0.562	55%	0.552	S	S	*	*	H	α-helix	trans	-69.6	-36.8	176.5	-166	-176.9	-59	170	0.4	112	L147 K148 V149 Q154 N155	L147-R151 VanDerWaalsContact O-CB 3.3Å; L147-R151 WeakPolarHBondContact O-CB 3.08Å; L147-R151 PolarHBondContact O-N 3.46Å; K148-R151 CarbonylContact O-C 3.59Å; K148-R151 WeakPolarHBondContact O-CA 3.27Å; K148-R151 WeakPolarHBondContact O-CB 3.48Å; K148-R151 PolarHBondContact O-N 3.19Å; K148-R151 VanDerWaalsContact O-N 3.12Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 3.14Å; R151-Q154 PolarHBondContact O-N 3.41Å; R151-N155 VanDerWaalsContact O-CB 3.27Å; R151-N155 WeakPolarHBondContact O-CB 3.27Å; R151-N155 PolarHBondContact O-N 2.97Å
152	D	49.7	Very low	44.5	Very low	92 Å²	92	116.5 Å²	116.5	49%	0.492	56%	0.562	S	S	.	*	H	α-helix	trans	-72.8	-38.4	176.8	-76	-22.8	0	0	0	111.7	K148 V149 N155 Y156	K148-D152 PolarHBondContact O-N 3.42Å; V149-D152 PolarHBondContact O-N 3.33Å; D152-N155 PolarHBondContact O-N 3.47Å; D152-Y156 VanDerWaalsContact O-CB 3.29Å; D152-Y156 WeakPolarHBondContact O-CB 3.41Å; D152-Y156 PolarHBondContact O-N 3.37Å
153	F	48	Very low	44.7	Very low	155 Å²	155	115 Å²	115	68%	0.68	56%	0.558	S	S	*	*	H	α-helix	trans	-64.8	-42.5	170.1	-107.1	-88.8	0	0	0	112.2	V149 Y156 R157	V149-F153 HydrophobicContact CG1-CD2 4.32Å; V149-F153 WeakPolarHBondContact O-CB 3.3Å; V149-F153 PolarHBondContact O-N 2.98Å; F153-Y156 PolarHBondContact O-N 2.99Å; F153-R157 VanDerWaalsContact O-CB 3.29Å; F153-R157 WeakPolarHBondContact O-CB 3.49Å; F153-R157 PolarHBondContact O-N 3.46Å
154	Q	53	Low	44.6	Very low	114 Å²	114	115.3 Å²	115.3	53%	0.533	56%	0.56	S	S	.	*	H	α-helix	trans	-62.9	-42.2	173.6	-74	-95.3	-31.7	0	0	111.2	L150 R151 R157 L158	L150-Q154 VanDerWaalsContact O-CB 3.27Å; L150-Q154 WeakPolarHBondContact O-CB 3.37Å; L150-Q154 WeakPolarHBondContact O-CG 3.33Å; L150-Q154 PolarHBondContact O-N 3.23Å; R151-Q154 PolarHBondContact O-N 3.41Å; Q154-R157 PolarHBondContact O-N 2.81Å; Q154-L158 WeakPolarHBondContact O-CB 3.33Å; Q154-L158 WeakPolarHBondContact O-CG 3.46Å; Q154-L158 PolarHBondContact O-N 3.08Å
155	N	46.8	Very low	44.5	Very low	91 Å²	91	116.6 Å²	116.6	49%	0.487	56%	0.561	S	S	.	*	H	α-helix	trans	-63.9	-41.8	175.2	-101.1	-26.4	0	0	0	111.8	R151 D152 L158 K159	R151-N155 VanDerWaalsContact O-CB 3.27Å; R151-N155 WeakPolarHBondContact O-CB 3.27Å; R151-N155 PolarHBondContact O-N 2.97Å; D152-N155 PolarHBondContact O-N 3.47Å; N155-L158 PolarHBondContact O-N 2.89Å; N155-K159 VanDerWaalsContact O-CB 3.28Å; N155-K159 WeakPolarHBondContact O-CB 3.39Å; N155-K159 PolarHBondContact O-N 3.48Å
156	Y	43.9	Very low	44.5	Very low	159 Å²	159	120.3 Å²	120.3	62%	0.624	58%	0.576	S	S	*	*	H	α-helix	trans	-66	-41.6	176.8	-155.5	-101.2	0	0	0	111.1	D152 F153 L158 K159 I160	D152-Y156 VanDerWaalsContact O-CB 3.29Å; D152-Y156 WeakPolarHBondContact O-CB 3.41Å; D152-Y156 PolarHBondContact O-N 3.37Å; F153-Y156 PolarHBondContact O-N 2.99Å; Y156-L158 PolarHBondContact O-N 3.3Å; Y156-K159 PolarHBondContact O-N 2.78Å; Y156-I160 HydrophobicContact CD1-CD1 3.66Å; Y156-I160 HydrophobicContact CD1-CG1 4.36Å; Y156-I160 HydrophobicContact CE1-CD1 3.77Å; Y156-I160 HydrophobicContact CE1-CG1 4.42Å; Y156-I160 VanDerWaalsContact O-CG1 3.29Å; Y156-I160 WeakPolarHBondContact O-CG1 3.12Å; Y156-I160 PolarHBondContact O-N 3.24Å
157	R	46.9	Very low	44.3	Very low	172 Å²	172	123.5 Å²	123.5	65%	0.649	60%	0.595	S	S	*	*	H	α-helix	trans	-65.2	-37.1	174.4	-153.7	-175.5	-166.1	-166.4	7.6	112.5	F153 Q154 K161	F153-R157 VanDerWaalsContact O-CB 3.29Å; F153-R157 WeakPolarHBondContact O-CB 3.49Å; F153-R157 PolarHBondContact O-N 3.46Å; Q154-R157 PolarHBondContact O-N 2.81Å; R157-K161 WeakPolarHBondContact O-CB 3.3Å; R157-K161 PolarHBondContact O-N 3.48Å
158	L	46.3	Very low	44.5	Very low	96 Å²	96	124.7 Å²	124.7	50%	0.503	61%	0.607	S	S	.	*	H	α-helix	trans	-70.4	-35.3	173.4	-82.1	161.5	0	0	0	112.1	Q154 N155 Y156 K161 K162	Q154-L158 WeakPolarHBondContact O-CB 3.33Å; Q154-L158 WeakPolarHBondContact O-CG 3.46Å; Q154-L158 PolarHBondContact O-N 3.08Å; N155-L158 PolarHBondContact O-N 2.89Å; Y156-L158 PolarHBondContact O-N 3.3Å; L158-K161 PolarHBondContact O-N 3.41Å; L158-K162 PolarHBondContact O-N 2.83Å
159	K	49.8	Very low	44.3	Very low	151 Å²	151	127.6 Å²	127.6	66%	0.657	62%	0.623	S	S	*	*	H	α-helix	trans	-68.8	-41.9	175.6	-151.6	164.1	-171.1	179.8	0	110.7	N155 Y156 K162 T163	N155-K159 VanDerWaalsContact O-CB 3.28Å; N155-K159 WeakPolarHBondContact O-CB 3.39Å; N155-K159 PolarHBondContact O-N 3.48Å; Y156-K159 PolarHBondContact O-N 2.78Å; K159-K162 PolarHBondContact O-N 3.28Å; K159-T163 PolarHBondContact O-N 3.11Å; K159-T163 PolarHBondContact O-OG1 3Å
160	I	47.3	Very low	43.9	Very low	90 Å²	90	130.1 Å²	130.1	46%	0.462	63%	0.633	S	S	.	*	H	α-helix	trans	-61.1	-46	170.3	-67.4	167.8	0	0	0	110.8	Y156 K162 T163 T164	Y156-I160 HydrophobicContact CD1-CD1 3.66Å; Y156-I160 HydrophobicContact CD1-CG1 4.36Å; Y156-I160 HydrophobicContact CE1-CD1 3.77Å; Y156-I160 HydrophobicContact CE1-CG1 4.42Å; Y156-I160 VanDerWaalsContact O-CG1 3.29Å; Y156-I160 WeakPolarHBondContact O-CG1 3.12Å; Y156-I160 PolarHBondContact O-N 3.24Å; I160-K162 VanDerWaalsContact C-N 3.32Å; I160-K162 PolarHBondContact O-N 3.29Å; I160-T163 PolarHBondContact O-N 3.1Å; I160-T164 PolarHBondContact O-N 2.93Å; I160-T164 PolarHBondContact O-OG1 3.19Å
161	K	44	Very low	43.7	Very low	135 Å²	135	129.8 Å²	129.8	59%	0.587	64%	0.638	S	S	*	*	H	α-helix	trans	-60.5	-36.7	174.9	-91.5	-175.1	176.7	-177.4	0	112.9	R157 L158 T164 N165	R157-K161 WeakPolarHBondContact O-CB 3.3Å; R157-K161 PolarHBondContact O-N 3.48Å; L158-K161 PolarHBondContact O-N 3.41Å; K161-T164 WeakPolarHBondContact CA-OG1 3.44Å; K161-T164 PolarHBondContact O-OG1 3.21Å; K161-T164 VanDerWaalsContact O-OG1 3.07Å; K161-N165 PolarHBondContact O-N 3.19Å; K161-N165 PolarHBondContact O-ND2 3.21Å
162	K	47.1	Very low	43.3	Very low	169 Å²	169	133.7 Å²	133.7	74%	0.735	65%	0.652	S	S	*	*	H	α-helix	trans	-69.4	-38.9	174.8	-92.6	-177.8	174.6	178	0	112.1	L158 K159 I160 N165	L158-K162 PolarHBondContact O-N 2.83Å; K159-K162 PolarHBondContact O-N 3.28Å; I160-K162 VanDerWaalsContact C-N 3.32Å; I160-K162 PolarHBondContact O-N 3.29Å; K162-N165 PolarHBondContact O-N 2.97Å
163	T	41.6	Very low	43.1	Very low	106 Å²	106	141.2 Å²	141.2	65%	0.65	67%	0.674	S	S	*	*	H	α-helix	trans	-72.1	-30.5	177.6	-51	0	0	0	0	112.3	K159 I160 N165 F166	K159-T163 PolarHBondContact O-N 3.11Å; K159-T163 PolarHBondContact O-OG1 3Å; I160-T163 PolarHBondContact O-N 3.1Å; T163-N165 VanDerWaalsContact C-N 3.32Å; T163-N165 PolarHBondContact O-N 3.22Å; T163-F166 PolarHBondContact O-N 2.9Å
164	T	40.6	Very low	42.5	Very low	95 Å²	95	137.7 Å²	137.7	58%	0.583	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-9.6	171.9	50.9	0	0	0	0	114.5	I160 K161 F166	I160-T164 PolarHBondContact O-N 2.93Å; I160-T164 PolarHBondContact O-OG1 3.19Å; K161-T164 WeakPolarHBondContact CA-OG1 3.44Å; K161-T164 PolarHBondContact O-OG1 3.21Å; K161-T164 VanDerWaalsContact O-OG1 3.07Å; T164-F166 PolarHBondContact O-N 3.09Å
165	N	41.2	Very low	42.2	Very low	133 Å²	133	144 Å²	144	71%	0.711	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	4.7	170.5	-83.1	-61.5	0	0	0	113.2	K161 K162 T163	K161-N165 PolarHBondContact O-N 3.19Å; K161-N165 PolarHBondContact O-ND2 3.21Å; K162-N165 PolarHBondContact O-N 2.97Å; T163-N165 VanDerWaalsContact C-N 3.32Å; T163-N165 PolarHBondContact O-N 3.22Å
166	F	35.5	Very low	42	Very low	192 Å²	192	150.9 Å²	150.9	84%	0.842	72%	0.72	S	S	*	*			trans	-103.5	65.6	165.1	-115.2	-91.5	0	0	0	110.3	T163 T164	T163-F166 PolarHBondContact O-N 2.9Å; T164-F166 PolarHBondContact O-N 3.09Å
167	C	31.6	Very low	41.9	Very low	109 Å²	109	154.6 Å²	154.6	74%	0.736	73%	0.732	S	S	*	*			trans	-120.9	106.1	158.3	-151.4	0	0	0	0	107.1	Q169	C167-Q169 PolarHBondContact O-N 3.41Å
168	P	42.9	Very low	41.7	Very low	110 Å²	110	154.5 Å²	154.5	71%	0.714	74%	0.744	S	S	*	*			trans	-78	100.4	164.6	31.6	-24.6	0	0	0	105.9
169	Q	36.7	Very low	41.5	Very low	168 Å²	168	161.1 Å²	161.1	79%	0.785	76%	0.762	S	S	*	*			trans	-174.1	106.1	140.6	-104.6	178.9	79.4	0	0	109.4	C167 P171	C167-Q169 PolarHBondContact O-N 3.41Å; Q169-P171 WeakPolarHBondContact O-CD 3.26Å
170	N	32.8	Very low	40.9	Very low	135 Å²	135	163.3 Å²	163.3	72%	0.722	77%	0.772	S	S	*	*			trans	-85.2	109	154.1	174	1	0	0	0	106.9	R172	N170-R172 PolarHBondContact OD1-N 2.91Å; N170-R172 VanDerWaalsContact OD1-N 3.09Å
171	P	40.3	Very low	40.8	Very low	105 Å²	105	168.7 Å²	168.7	68%	0.682	79%	0.792	S	S	*	*			trans	-105.8	61.8	172	37.4	-24	0	0	0	108.7	Q169	Q169-P171 WeakPolarHBondContact O-CD 3.26Å
172	R	44	Very low	40.7	Very low	230 Å²	230	164.8 Å²	164.8	87%	0.868	79%	0.791	S	S	*	*			trans	-158.2	63.5	167.9	-108.8	173.2	-141.4	-147.1	10	113.6	N170	N170-R172 PolarHBondContact OD1-N 2.91Å; N170-R172 VanDerWaalsContact OD1-N 3.09Å
173	R	44.9	Very low	40.6	Very low	250 Å²	250	163 Å²	163	94%	0.943	80%	0.796	S	S	*	*			trans	-146.9	109.9	147.1	-101.2	-172.8	-170.7	-177	3.1	108.9
174	G	36	Very low	41.1	Very low	81 Å²	81	162.8 Å²	162.8	84%	0.835	81%	0.805	S	S	*	*			trans	162.3	40.5	175	0	0	0	0	0	117.6
175	R	46.3	Very low	41.7	Very low	246 Å²	246	162.6 Å²	162.6	93%	0.928	81%	0.813	S	S	*	*			trans	-87.2	104.4	155.7	-109.6	-171	-163.3	-168.6	5.9	107.8
176	R	41.9	Very low	42.3	Very low	237 Å²	237	162.2 Å²	162.2	89%	0.894	82%	0.818	S	S	*	*	S	Bend	trans	173	119.5	133.9	-93.9	169	-149.5	-148.8	6.2	112.3
177	R	42.8	Very low	43	Very low	236 Å²	236	164.4 Å²	164.4	89%	0.891	82%	0.82	S	S	*	*			trans	65.6	82.7	151.9	-64.9	-175	-172.4	-123.2	2.5	118.6	R179	R177-R179 PolarHBondContact O-N 3.45Å
178	L	41.7	Very low	44	Very low	171 Å²	171	170.5 Å²	170.5	90%	0.895	83%	0.828	S	S	*	*			trans	-67.7	104.6	138.2	-85.1	155.8	0	0	0	107.8	F180	L178-F180 PolarHBondContact O-N 3.42Å; L178-F180 VanDerWaalsContact O-N 3.11Å
179	R	43	Very low	44.5	Very low	235 Å²	235	170.8 Å²	170.8	89%	0.887	83%	0.828	S	S	*	*			trans	-68.9	99.7	167.9	-171.4	-171.7	-96.7	-132.7	3	106.5	R177 K181	R177-R179 PolarHBondContact O-N 3.45Å; R179-K181 PolarHBondContact O-N 3.03Å
180	F	36.4	Very low	45.1	Very low	196 Å²	196	172.7 Å²	172.7	86%	0.86	85%	0.851	S	S	*	*			trans	-57.5	105.3	165.5	-101.2	-94.5	0	0	0	108	L178 G182	L178-F180 PolarHBondContact O-N 3.42Å; L178-F180 VanDerWaalsContact O-N 3.11Å; F180-G182 PolarHBondContact O-N 3.33Å
181	K	46.4	Very low	45.7	Very low	203 Å²	203	174.6 Å²	174.6	88%	0.883	86%	0.858	S	S	*	*			trans	-82.2	94.5	164.2	-160.9	167.6	-176	-179.3	0	105	R179	R179-K181 PolarHBondContact O-N 3.03Å
182	G	41.2	Very low	46	Very low	54 Å²	54	178.2 Å²	178.2	56%	0.557	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-58.3	148.9	178.4	0	0	0	0	0	111.1	F180	F180-G182 PolarHBondContact O-N 3.33Å
183	P	45	Very low	46.1	Very low	132 Å²	132	175.3 Å²	175.3	86%	0.857	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-64.7	138.8	172.7	25.9	-30.9	0	0	0	110.3	A185	P183-A185 PolarHBondContact O-N 3.04Å
184	A	52.1	Low	46.2	Very low	101 Å²	101	170.9 Å²	170.9	84%	0.835	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-58.5	130.6	175.6	0	0	0	0	0	110.7
185	A	53.3	Low	46.8	Very low	91 Å²	91	176.6 Å²	176.6	75%	0.752	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-65.8	140.7	171.4	0	0	0	0	0	110.5	P183 R187	P183-A185 PolarHBondContact O-N 3.04Å; A185-R187 PolarHBondContact O-N 3.07Å
186	P	52.7	Low	46.9	Very low	124 Å²	124	171.9 Å²	171.9	81%	0.805	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-73.8	123.3	169	27.9	-28.5	0	0	0	109.9	R188	P186-R188 PolarHBondContact O-N 3.36Å
187	R	51.4	Low	47.2	Very low	238 Å²	238	167.3 Å²	167.3	90%	0.898	86%	0.857	S	S	*	*			trans	-62.2	107.7	170.3	-176.6	-174	-95.2	-151	-5	108.4	A185	A185-R187 PolarHBondContact O-N 3.07Å
188	R	51.8	Low	47.6	Very low	237 Å²	237	162 Å²	162	89%	0.894	86%	0.855	S	S	*	*			trans	-93.6	109.4	168.5	-164.5	178.8	-90.6	-159.4	-4.3	108.1	P186	P186-R188 PolarHBondContact O-N 3.36Å
189	T	53.7	Low	48.1	Very low	116 Å²	116	161.3 Å²	161.3	71%	0.712	85%	0.851	S	S	*	*			trans	-68.6	126.2	162.3	41	0	0	0	0	109.6
190	T	49.8	Very low	48.5	Very low	208 Å²	208	154.5 Å²	154.5	100%	1.276	85%	0.848	S	S	*	*			trans	179.2	0	137.5	35.8	0	0	0	0	107.1

Retrieved 190 of 190 residues in 38.6 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).