A0A087XEP8_POEFO Loading...

Modulator of smoothened

AlphaFold DB , UniProt , Accession A0A087XEP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 167 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.9	Low	85.8	Confident	90 Å²	90	60.4 Å²	60.4	44%	0.443	32%	0.318	S	S	.	.				0	148	0	-94	155.8	57.3	0	0	109.1	T5 I6 H90	M1-T5 HydrophobicContact CE-CG2 3.65Å; M1-T5 HydrophobicContact CG-CG2 3.99Å; M1-T5 HydrophobicContact SD-CG2 4.27Å; M1-I6 HydrophobicContact CB-CG1 4.19Å; M1-I6 HydrophobicContact CE-CB 4.45Å; M1-I6 HydrophobicContact CE-CG1 3.66Å; M1-H90 PolarHBondContact SD-CD2 3.44Å; M1-H90 VanDerWaalsContact SD-CE1 3.59Å; M1-H90 PolarHBondContact SD-NE2 2.73Å
2	D	79.2	Confident	86.6	Confident	59 Å²	59	55.5 Å²	55.5	32%	0.316	29%	0.292	S	S	.	.			trans	-67.6	151.3	166	55	-105.1	0	0	0	110.2	L4 T5 I6 K162	D2-L4 PolarHBondContact O-N 2.89Å; D2-L4 VanDerWaalsContact O-N 3.11Å; D2-L4 WeakPolarHBondContact OD2-CB 3.42Å; D2-L4 PolarHBondContact OD2-N 2.99Å; D2-T5 PolarHBondContact O-N 3.39Å; D2-T5 PolarHBondContact OD1-OG1 2.8Å; D2-T5 VanDerWaalsContact OD1-OG1 3.07Å; D2-T5 WeakPolarHBondContact OD2-CB 3.31Å; D2-T5 PolarHBondContact OD2-N 3.18Å; D2-T5 PolarHBondContact OD2-OG1 3.28Å; D2-I6 PolarHBondContact O-N 3.19Å; D2-K162 IonicContact OD1-NZ 3.89Å; D2-K162 PolarHBondContact OD1-NZ 2.88Å; D2-K162 IonicContact OD2-NZ 2.84Å
3	K	83.8	Confident	87.3	Confident	180 Å²	180	58.2 Å²	58.2	78%	0.783	31%	0.306	S	S	*	.	H	α-helix	trans	-55.5	-30.8	-178.7	-67.3	-178.7	-179.2	-179.2	0	111.9	I6 I7	K3-I6 PolarHBondContact O-N 3.22Å; K3-I7 VanDerWaalsContact O-CG1 3.3Å; K3-I7 WeakPolarHBondContact O-CG1 3.34Å; K3-I7 PolarHBondContact O-N 3.31Å
4	L	84.3	Confident	88	Confident	43 Å²	43	56.2 Å²	56.2	23%	0.225	30%	0.302	C	S	.	.	H	α-helix	trans	-69.7	-36.7	-179.8	-58.7	151.1	0	0	0	112	D2 I6 I7 S8 F159 L165	D2-L4 PolarHBondContact O-N 2.89Å; D2-L4 VanDerWaalsContact O-N 3.11Å; D2-L4 WeakPolarHBondContact OD2-CB 3.42Å; D2-L4 PolarHBondContact OD2-N 2.99Å; L4-I6 VanDerWaalsContact C-N 3.31Å; L4-I7 PolarHBondContact O-N 3.27Å; L4-S8 WeakPolarHBondContact O-CB 3.44Å; L4-S8 PolarHBondContact O-N 3.45Å; L4-S8 PolarHBondContact O-OG 3.11Å; L4-F159 HydrophobicContact CD2-CD1 3.78Å; L4-F159 HydrophobicContact CD2-CE1 4.26Å; L4-L165 HydrophobicContact CD1-CD1 3.36Å
5	T	83.8	Confident	88.6	Confident	6 Å²	6	52.5 Å²	52.5	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-31.6	176	-54.6	0	0	0	0	111.6	M1 D2 S8 G9 L86	M1-T5 HydrophobicContact CE-CG2 3.65Å; M1-T5 HydrophobicContact CG-CG2 3.99Å; M1-T5 HydrophobicContact SD-CG2 4.27Å; D2-T5 PolarHBondContact O-N 3.39Å; D2-T5 PolarHBondContact OD1-OG1 2.8Å; D2-T5 VanDerWaalsContact OD1-OG1 3.07Å; D2-T5 WeakPolarHBondContact OD2-CB 3.31Å; D2-T5 PolarHBondContact OD2-N 3.18Å; D2-T5 PolarHBondContact OD2-OG1 3.28Å; T5-S8 WeakPolarHBondContact CA-OG 3.44Å; T5-S8 PolarHBondContact O-OG 3.31Å; T5-G9 PolarHBondContact O-N 3.3Å; T5-L86 HydrophobicContact CG2-CD2 4.08Å
6	I	87	Confident	89.1	Confident	84 Å²	84	49.9 Å²	49.9	43%	0.431	27%	0.268	S	S	.	.	H	α-helix	trans	-69	-47.2	173	-61.5	173	0	0	0	109.6	M1 D2 K3 L4 S8 G9 C10	M1-I6 HydrophobicContact CB-CG1 4.19Å; M1-I6 HydrophobicContact CE-CB 4.45Å; M1-I6 HydrophobicContact CE-CG1 3.66Å; D2-I6 PolarHBondContact O-N 3.19Å; K3-I6 PolarHBondContact O-N 3.22Å; L4-I6 VanDerWaalsContact C-N 3.31Å; I6-S8 PolarHBondContact O-N 3.23Å; I6-G9 PolarHBondContact O-N 2.96Å; I6-C10 PolarHBondContact O-N 3.28Å; I6-C10 PolarHBondContact O-SG 3.21Å; I6-C10 VanDerWaalsContact O-SG 3.38Å
7	I	90.6	Very high	89.5	Confident	77 Å²	77	52.8 Å²	52.8	40%	0.395	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-47.4	177	-66.9	164.1	0	0	0	110.4	K3 L4 G9 C10 L11 F159	K3-I7 VanDerWaalsContact O-CG1 3.3Å; K3-I7 WeakPolarHBondContact O-CG1 3.34Å; K3-I7 PolarHBondContact O-N 3.31Å; L4-I7 PolarHBondContact O-N 3.27Å; I7-G9 VanDerWaalsContact C-N 3.33Å; I7-G9 PolarHBondContact O-N 2.85Å; I7-C10 PolarHBondContact O-N 3.48Å; I7-L11 HydrophobicContact CG2-CD1 3.85Å; I7-L11 HydrophobicContact CG2-CG 4.38Å; I7-L11 VanDerWaalsContact O-CG 3.25Å; I7-L11 WeakPolarHBondContact O-CG 3.38Å; I7-L11 PolarHBondContact O-N 3.02Å; I7-F159 HydrophobicContact CG2-CD2 4.28Å; I7-F159 HydrophobicContact CG2-CE2 4.47Å
8	S	90.8	Very high	90	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-39.8	177.6	66.8	0	0	0	0	112.3	L4 T5 I6 C10 L11 F12 G156	L4-S8 WeakPolarHBondContact O-CB 3.44Å; L4-S8 PolarHBondContact O-N 3.45Å; L4-S8 PolarHBondContact O-OG 3.11Å; T5-S8 WeakPolarHBondContact CA-OG 3.44Å; T5-S8 PolarHBondContact O-OG 3.31Å; I6-S8 PolarHBondContact O-N 3.23Å; S8-C10 PolarHBondContact O-N 3.17Å; S8-L11 PolarHBondContact O-N 3.06Å; S8-F12 WeakPolarHBondContact O-CD2 3.33Å; S8-F12 WeakPolarHBondContact O-CG 3.32Å; S8-F12 PolarHBondContact O-N 3.29Å; S8-G156 VanDerWaalsContact CB-O 3.25Å; S8-G156 WeakPolarHBondContact CB-O 3.46Å
9	G	91.7	Very high	90.3	Very high	18 Å²	18	50.3 Å²	50.3	19%	0.186	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-46.1	173.4	0	0	0	0	0	112.8	T5 I6 I7 L11 F12 L13	T5-G9 PolarHBondContact O-N 3.3Å; I6-G9 PolarHBondContact O-N 2.96Å; I7-G9 VanDerWaalsContact C-N 3.33Å; I7-G9 PolarHBondContact O-N 2.85Å; G9-L11 VanDerWaalsContact C-N 3.33Å; G9-L11 PolarHBondContact O-N 3.44Å; G9-F12 PolarHBondContact O-N 3.26Å; G9-L13 WeakPolarHBondContact O-CB 3.46Å; G9-L13 PolarHBondContact O-N 3.36Å
10	C	94.1	Very high	90.5	Very high	79 Å²	79	51.6 Å²	51.6	53%	0.534	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-39.8	175.6	-65.9	0	0	0	0	112.2	I6 I7 S8 L13 A14	I6-C10 PolarHBondContact O-N 3.28Å; I6-C10 PolarHBondContact O-SG 3.21Å; I6-C10 VanDerWaalsContact O-SG 3.38Å; I7-C10 PolarHBondContact O-N 3.48Å; S8-C10 PolarHBondContact O-N 3.17Å; C10-L13 PolarHBondContact O-N 3.27Å; C10-A14 WeakPolarHBondContact O-CB 3.35Å; C10-A14 PolarHBondContact O-N 3Å
11	L	95.5	Very high	90.7	Very high	28 Å²	28	50.5 Å²	50.5	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-66.4	-41.6	177.8	-66.7	166	0	0	0	111.7	I7 S8 G9 A14 A15 F152 V155 F159	I7-L11 HydrophobicContact CG2-CD1 3.85Å; I7-L11 HydrophobicContact CG2-CG 4.38Å; I7-L11 VanDerWaalsContact O-CG 3.25Å; I7-L11 WeakPolarHBondContact O-CG 3.38Å; I7-L11 PolarHBondContact O-N 3.02Å; S8-L11 PolarHBondContact O-N 3.06Å; G9-L11 VanDerWaalsContact C-N 3.33Å; G9-L11 PolarHBondContact O-N 3.44Å; L11-A14 PolarHBondContact O-N 3.26Å; L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 2.87Å; L11-F152 HydrophobicContact CD2-CD1 3.56Å; L11-F152 HydrophobicContact CD2-CE1 3.97Å; L11-V155 HydrophobicContact CD1-CG1 3.88Å; L11-F159 HydrophobicContact CD1-CD2 3.64Å; L11-F159 HydrophobicContact CD1-CE2 4.08Å
12	F	95.5	Very high	92.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-39.2	174.9	-67.9	-47.9	0	0	0	112.3	S8 G9 A15 D16 L79 T82 L86 A103 T153 L157 A160	S8-F12 WeakPolarHBondContact O-CD2 3.33Å; S8-F12 WeakPolarHBondContact O-CG 3.32Å; S8-F12 PolarHBondContact O-N 3.29Å; G9-F12 PolarHBondContact O-N 3.26Å; F12-A15 WeakPolarHBondContact O-CB 3.43Å; F12-A15 PolarHBondContact O-N 2.73Å; F12-D16 WeakPolarHBondContact O-CB 3.25Å; F12-D16 PolarHBondContact O-N 3.4Å; F12-L79 HydrophobicContact CD1-CD2 3.91Å; F12-T82 HydrophobicContact CD2-CG2 3.82Å; F12-T82 HydrophobicContact CE2-CG2 4.1Å; F12-T82 HydrophobicContact CG-CG2 4.17Å; F12-L86 HydrophobicContact CD2-CD1 3.64Å; F12-L86 HydrophobicContact CE2-CD1 4.13Å; F12-A103 HydrophobicContact CE1-CB 3.87Å; F12-A103 HydrophobicContact CE2-CB 4.4Å; F12-A103 HydrophobicContact CZ-CB 3.77Å; F12-T153 HydrophobicContact CE1-CG2 4.32Å; F12-T153 WeakPolarHBondContact CE1-O 3.37Å; F12-L157 HydrophobicContact CE1-CG 3.99Å; F12-L157 HydrophobicContact CZ-CB 4.48Å; F12-L157 HydrophobicContact CZ-CD2 4.22Å; F12-L157 HydrophobicContact CZ-CG 3.94Å; F12-A160 HydrophobicContact CE2-CB 4.28Å; F12-A160 HydrophobicContact CZ-CB 4.46Å
13	L	96	Very high	92.8	Very high	91 Å²	91	45.1 Å²	45.1	48%	0.476	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-43.7	175.3	-176.2	66.5	0	0	0	111.5	G9 C10 A15 D16 I17	G9-L13 WeakPolarHBondContact O-CB 3.46Å; G9-L13 PolarHBondContact O-N 3.36Å; C10-L13 PolarHBondContact O-N 3.27Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-D16 PolarHBondContact O-N 3.05Å; L13-I17 HydrophobicContact CG-CD1 4.23Å; L13-I17 WeakPolarHBondContact O-CG1 3.39Å; L13-I17 PolarHBondContact O-N 3.22Å
14	A	97.1	Very high	93	Very high	30 Å²	30	40.1 Å²	40.1	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-42.7	175	0	0	0	0	0	111.5	C10 L11 D16 I17 F18	C10-A14 WeakPolarHBondContact O-CB 3.35Å; C10-A14 PolarHBondContact O-N 3Å; L11-A14 PolarHBondContact O-N 3.26Å; A14-D16 VanDerWaalsContact C-N 3.34Å; A14-D16 PolarHBondContact O-N 2.93Å; A14-I17 PolarHBondContact O-N 3.41Å; A14-F18 HydrophobicContact CB-CE2 4.28Å; A14-F18 WeakPolarHBondContact O-CD2 3.34Å; A14-F18 WeakPolarHBondContact O-CG 3.43Å; A14-F18 PolarHBondContact O-N 2.97Å
15	A	97	Very high	93.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-43.9	174.7	0	0	0	0	0	112.1	L11 F12 L13 F18 A19 L79 S149 F152 T153	L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 2.87Å; F12-A15 WeakPolarHBondContact O-CB 3.43Å; F12-A15 PolarHBondContact O-N 2.73Å; L13-A15 VanDerWaalsContact C-N 3.34Å; A15-F18 PolarHBondContact O-N 3.36Å; A15-A19 WeakPolarHBondContact O-CB 3.26Å; A15-A19 PolarHBondContact O-N 2.88Å; A15-L79 HydrophobicContact CB-CD1 3.76Å; A15-S149 WeakPolarHBondContact CB-O 3.43Å; A15-S149 WeakPolarHBondContact O-CB 3.3Å; A15-F152 HydrophobicContact CB-CB 3.81Å; A15-T153 WeakPolarHBondContact CB-OG1 3.37Å
16	D	96.4	Very high	93	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.064	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-45.8	179.1	-158.1	35.5	0	0	0	111.3	F12 L13 A14 F18 A19 I20 L79 T80	F12-D16 WeakPolarHBondContact O-CB 3.25Å; F12-D16 PolarHBondContact O-N 3.4Å; L13-D16 PolarHBondContact O-N 3.05Å; A14-D16 VanDerWaalsContact C-N 3.34Å; A14-D16 PolarHBondContact O-N 2.93Å; D16-F18 PolarHBondContact O-N 3.03Å; D16-A19 PolarHBondContact O-N 3.29Å; D16-I20 VanDerWaalsContact O-CG1 3.26Å; D16-I20 WeakPolarHBondContact O-CG1 3.48Å; D16-I20 PolarHBondContact O-N 2.97Å; D16-L79 HydrophobicContact CB-CB 4.19Å; D16-L79 HydrophobicContact CB-CD1 4.41Å; D16-T80 PolarHBondContact OD1-OG1 3.17Å; D16-T80 PolarHBondContact OD2-OG1 2.72Å
17	I	96.7	Very high	93	Very high	98 Å²	98	40.2 Å²	40.2	50%	0.503	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-45.8	176.7	-67.2	166.9	0	0	0	111.1	L13 A14 I20 A21	L13-I17 HydrophobicContact CG-CD1 4.23Å; L13-I17 WeakPolarHBondContact O-CG1 3.39Å; L13-I17 PolarHBondContact O-N 3.22Å; A14-I17 PolarHBondContact O-N 3.41Å; I17-I20 PolarHBondContact O-N 3.5Å; I17-A21 VanDerWaalsContact O-CB 3.25Å; I17-A21 WeakPolarHBondContact O-CB 3.39Å; I17-A21 PolarHBondContact O-N 3.01Å
18	F	97.2	Very high	93	Very high	58 Å²	58	36.6 Å²	36.6	25%	0.254	22%	0.22	S	C	.	.	H	α-helix	trans	-66.7	-38.3	178.9	-67.6	-41.2	0	0	0	112.6	A14 A15 D16 A21 S22 L145 L148 F152	A14-F18 HydrophobicContact CB-CE2 4.28Å; A14-F18 WeakPolarHBondContact O-CD2 3.34Å; A14-F18 WeakPolarHBondContact O-CG 3.43Å; A14-F18 PolarHBondContact O-N 2.97Å; A15-F18 PolarHBondContact O-N 3.36Å; D16-F18 PolarHBondContact O-N 3.03Å; F18-A21 PolarHBondContact O-N 3.46Å; F18-S22 WeakPolarHBondContact O-CB 3.19Å; F18-S22 PolarHBondContact O-N 3.35Å; F18-L145 WeakPolarHBondContact CB-O 3.23Å; F18-L145 HydrophobicContact CD1-CD2 3.89Å; F18-L145 HydrophobicContact CE1-CD2 4.36Å; F18-L148 HydrophobicContact CD2-CB 4.35Å; F18-F152 AromaticContact CD2-CD2 3.66Å; F18-F152 HydrophobicContact CD2-CD2 3.66Å; F18-F152 AromaticContact CD2-CE2 3.86Å; F18-F152 HydrophobicContact CD2-CE2 3.86Å; F18-F152 AromaticContact CE2-CD2 3.59Å; F18-F152 HydrophobicContact CE2-CD2 3.59Å; F18-F152 AromaticContact CE2-CE2 3.32Å; F18-F152 HydrophobicContact CE2-CE2 3.32Å; F18-F152 HydrophobicContact CE2-CZ 4.26Å; F18-F152 HydrophobicContact CZ-CE2 4.35Å
19	A	95.7	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-47.4	175	0	0	0	0	0	110.8	A15 D16 A21 S22 I23 I76 F110	A15-A19 WeakPolarHBondContact O-CB 3.26Å; A15-A19 PolarHBondContact O-N 2.88Å; D16-A19 PolarHBondContact O-N 3.29Å; A19-A21 PolarHBondContact O-N 3.38Å; A19-S22 PolarHBondContact O-N 3.46Å; A19-S22 PolarHBondContact O-OG 3.07Å; A19-I23 WeakPolarHBondContact O-CG1 3.41Å; A19-I23 PolarHBondContact O-N 3Å; A19-I76 HydrophobicContact CB-CD1 4.04Å; A19-I76 HydrophobicContact CB-CG1 3.62Å; A19-F110 HydrophobicContact CB-CE1 4.36Å; A19-F110 HydrophobicContact CB-CE2 4.23Å; A19-F110 HydrophobicContact CB-CZ 3.65Å
20	I	95.4	Very high	92.6	Very high	77 Å²	77	38 Å²	38	40%	0.395	22%	0.223	S	C	.	.	H	α-helix	trans	-61.9	-44.6	175.8	-66.2	164.6	0	0	0	111.1	D16 I17 S22 I23 A24 I76	D16-I20 VanDerWaalsContact O-CG1 3.26Å; D16-I20 WeakPolarHBondContact O-CG1 3.48Å; D16-I20 PolarHBondContact O-N 2.97Å; I17-I20 PolarHBondContact O-N 3.5Å; I20-S22 VanDerWaalsContact C-N 3.27Å; I20-S22 PolarHBondContact O-N 3.24Å; I20-I23 WeakPolarHBondContact O-CG1 3.32Å; I20-I23 PolarHBondContact O-N 3.22Å; I20-A24 WeakPolarHBondContact O-CB 3.23Å; I20-A24 PolarHBondContact O-N 3.43Å; I20-I76 HydrophobicContact CD1-CG2 4.16Å; I20-I76 HydrophobicContact CG1-CD1 4.04Å; I20-I76 HydrophobicContact CG1-CG1 4.37Å; I20-I76 HydrophobicContact CG1-CG2 3.79Å
21	A	94.3	Very high	91.7	Very high	28 Å²	28	35.5 Å²	35.5	23%	0.231	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-35.3	178.4	0	0	0	0	0	112	I17 F18 A19 A24 N25 L145	I17-A21 VanDerWaalsContact O-CB 3.25Å; I17-A21 WeakPolarHBondContact O-CB 3.39Å; I17-A21 PolarHBondContact O-N 3.01Å; F18-A21 PolarHBondContact O-N 3.46Å; A19-A21 PolarHBondContact O-N 3.38Å; A21-A24 PolarHBondContact O-N 2.84Å; A21-N25 WeakPolarHBondContact O-CB 3.39Å; A21-N25 PolarHBondContact O-N 2.97Å; A21-N25 PolarHBondContact O-ND2 3.06Å; A21-L145 HydrophobicContact CB-CD1 4.05Å
22	S	94.1	Very high	90.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-45	177.3	76.2	0	0	0	0	112.1	F18 A19 I20 W28 S142	F18-S22 WeakPolarHBondContact O-CB 3.19Å; F18-S22 PolarHBondContact O-N 3.35Å; A19-S22 PolarHBondContact O-N 3.46Å; A19-S22 PolarHBondContact O-OG 3.07Å; I20-S22 VanDerWaalsContact C-N 3.27Å; I20-S22 PolarHBondContact O-N 3.24Å; S22-W28 PolarHBondContact O-NE1 3.39Å; S22-S142 WeakPolarHBondContact CB-O 3.26Å; S22-S142 VanDerWaalsContact O-CB 3.29Å; S22-S142 WeakPolarHBondContact O-CB 3.48Å; S22-S142 PolarHBondContact O-OG 2.68Å
23	I	91.9	Very high	88.3	Confident	36 Å²	36	44.4 Å²	44.4	19%	0.185	25%	0.253	C	S	.	.	H	α-helix	trans	-76.3	-28.6	178.3	44.5	172.3	0	0	0	113.1	A19 I20 W28 L42 L69 I72 I76	A19-I23 WeakPolarHBondContact O-CG1 3.41Å; A19-I23 PolarHBondContact O-N 3Å; I20-I23 WeakPolarHBondContact O-CG1 3.32Å; I20-I23 PolarHBondContact O-N 3.22Å; I23-W28 HydrophobicContact CG2-CZ2 4.4Å; I23-L42 HydrophobicContact CG2-CD1 4.42Å; I23-L69 HydrophobicContact CG2-CD1 3.84Å; I23-I72 HydrophobicContact CG2-CG2 3.84Å; I23-I76 HydrophobicContact CD1-CD1 3.35Å; I23-I76 HydrophobicContact CG1-CD1 4.11Å
24	A	88.6	Confident	86.2	Confident	75 Å²	75	45.4 Å²	45.4	62%	0.62	27%	0.268	S	S	*	.	H	α-helix	trans	-69.6	-35.2	176.8	0	0	0	0	0	112.2	I20 A21	I20-A24 WeakPolarHBondContact O-CB 3.23Å; I20-A24 PolarHBondContact O-N 3.43Å; A21-A24 PolarHBondContact O-N 2.84Å
25	N	85.6	Confident	83.9	Confident	76 Å²	76	49.5 Å²	49.5	41%	0.406	29%	0.29	S	S	.	.	S	Bend	trans	-87.5	129.5	178.6	-77.4	-35.6	0	0	0	111.4	A21 D27 S142	A21-N25 WeakPolarHBondContact O-CB 3.39Å; A21-N25 PolarHBondContact O-N 2.97Å; A21-N25 PolarHBondContact O-ND2 3.06Å; N25-D27 PolarHBondContact O-N 2.83Å; N25-S142 VanDerWaalsContact C-OG 3.31Å; N25-S142 WeakPolarHBondContact CB-OG 3.4Å; N25-S142 PolarHBondContact O-OG 3.34Å
26	P	81.7	Confident	82.1	Confident	26 Å²	26	50.5 Å²	50.5	17%	0.169	30%	0.3	C	S	.	.	S	Bend	trans	-78.6	7.3	-178.6	33.5	-36.9	0	0	0	113.9	W28 T39 V40 G41 R44	P26-W28 PolarHBondContact O-N 2.84Å; P26-T39 CarbonylContact O-C 3.54Å; P26-V40 CarbonylContact O-C 3.07Å; P26-G41 VanDerWaalsContact O-CA 3.29Å; P26-G41 WeakPolarHBondContact O-CA 3.39Å; P26-G41 PolarHBondContact O-N 2.89Å; P26-G41 VanDerWaalsContact O-N 3.08Å; P26-R44 HydrophobicContact CB-CB 4.35Å; P26-R44 WeakPolarHBondContact CB-O 3.25Å
27	D	87.7	Confident	80.5	Confident	33 Å²	33	51.9 Å²	51.9	18%	0.176	31%	0.314	C	S	.	.			trans	-94.6	59.2	-172.9	-171.8	44.4	0	0	0	111.5	N25 G140 S141 S142	N25-D27 PolarHBondContact O-N 2.83Å; D27-G140 CarbonylContact O-C 3.56Å; D27-G140 WeakPolarHBondContact O-CA 3.36Å; D27-S141 PolarHBondContact O-N 3.43Å; D27-S141 VanDerWaalsContact O-N 3.15Å; D27-S141 WeakPolarHBondContact OD2-CB 3.36Å; D27-S141 PolarHBondContact OD2-N 3.03Å; D27-S141 PolarHBondContact OD2-OG 3.3Å; D27-S142 PolarHBondContact N-OG 2.8Å; D27-S142 WeakPolarHBondContact O-CB 3.42Å; D27-S142 PolarHBondContact O-N 2.9Å; D27-S142 PolarHBondContact O-OG 2.86Å
28	W	90.3	Very high	79.3	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.008	30%	0.295	C	S	.	.	S	Bend	trans	-84.9	-41.3	174.7	-78.5	68.4	0	0	0	111.9	S22 I23 P26 V40 L42 I72 F117 G140 Y143 F146	S22-W28 PolarHBondContact O-NE1 3.39Å; I23-W28 HydrophobicContact CG2-CZ2 4.4Å; P26-W28 PolarHBondContact O-N 2.84Å; W28-V40 WeakPolarHBondContact CA-O 3.49Å; W28-V40 VanDerWaalsContact CB-O 3.29Å; W28-V40 WeakPolarHBondContact CB-O 3.39Å; W28-V40 PolarHBondContact N-O 3.48Å; W28-V40 VanDerWaalsContact N-O 3.08Å; W28-L42 HydrophobicContact CD2-CD1 3.86Å; W28-L42 HydrophobicContact CD2-CG 3.98Å; W28-L42 HydrophobicContact CE3-CD1 4.01Å; W28-L42 HydrophobicContact CE3-CG 4.33Å; W28-L42 HydrophobicContact CG-CG 4.37Å; W28-L42 HydrophobicContact CH2-CD1 3.61Å; W28-L42 HydrophobicContact CZ2-CD1 3.42Å; W28-L42 VanDerWaalsContact CZ2-CD1 3.42Å; W28-L42 HydrophobicContact CZ2-CG 4.36Å; W28-L42 HydrophobicContact CZ3-CD1 3.88Å; W28-I72 HydrophobicContact CH2-CD1 3.46Å; W28-I72 VanDerWaalsContact CH2-CD1 3.46Å; W28-I72 HydrophobicContact CZ2-CD1 3.98Å; W28-I72 HydrophobicContact CZ3-CD1 4.32Å; W28-F117 HydrophobicContact CB-CZ 4.18Å; W28-F117 HydrophobicContact CD2-CE2 4.41Å; W28-F117 HydrophobicContact CD2-CZ 4.48Å; W28-F117 HydrophobicContact CE3-CD1 4.47Å; W28-F117 HydrophobicContact CE3-CD2 4.04Å; W28-F117 HydrophobicContact CE3-CE1 4.07Å; W28-F117 AromaticContact CE3-CE2 3.6Å; W28-F117 HydrophobicContact CE3-CE2 3.6Å; W28-F117 HydrophobicContact CE3-CG 4.44Å; W28-F117 AromaticContact CE3-CZ 3.62Å; W28-F117 HydrophobicContact CE3-CZ 3.62Å; W28-F117 HydrophobicContact CZ3-CD2 4.25Å; W28-F117 HydrophobicContact CZ3-CE2 4.28Å; W28-F117 HydrophobicContact CZ3-CG 4.39Å; W28-F117 HydrophobicContact CZ3-CZ 4.44Å; W28-G140 PolarHBondContact O-N 3.39Å; W28-Y143 AromaticContact CE3-CD2 3.93Å; W28-Y143 HydrophobicContact CE3-CD2 3.93Å; W28-Y143 AromaticContact CZ3-CD2 3.82Å; W28-Y143 HydrophobicContact CZ3-CD2 3.82Å; W28-F146 HydrophobicContact CH2-CB 3.71Å; W28-F146 AromaticContact CH2-CD1 3.79Å; W28-F146 HydrophobicContact CH2-CD1 3.79Å; W28-F146 HydrophobicContact CH2-CD2 4.31Å; W28-F146 AromaticContact CH2-CG 3.66Å; W28-F146 HydrophobicContact CH2-CG 3.66Å; W28-F146 HydrophobicContact CZ2-CB 4.27Å; W28-F146 HydrophobicContact CZ3-CB 4.36Å; W28-F146 HydrophobicContact CZ3-CD1 4.04Å; W28-F146 HydrophobicContact CZ3-CG 4.33Å
29	I	88.1	Confident	78.3	Confident	1 Å²	1	46 Å²	46	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.5	175.5	-55.5	177	0	0	0	108.4	T31 T39 V40 W65 F117 F121 V126 L133 T137	I29-T31 HydrophobicContact CG2-CG2 4.36Å; I29-T39 WeakPolarHBondContact O-CA 3.1Å; I29-V40 HydrophobicContact CB-CB 4.26Å; I29-V40 PolarHBondContact N-O 3.18Å; I29-V40 PolarHBondContact O-N 3.44Å; I29-W65 HydrophobicContact CD1-CH2 3.89Å; I29-W65 HydrophobicContact CD1-CZ2 3.7Å; I29-F117 HydrophobicContact CD1-CZ 3.88Å; I29-F117 HydrophobicContact CG1-CZ 3.83Å; I29-F121 HydrophobicContact CD1-CD1 3.94Å; I29-F121 HydrophobicContact CD1-CE1 3.68Å; I29-F121 HydrophobicContact CG1-CE1 4.49Å; I29-V126 HydrophobicContact CD1-CG2 3.92Å; I29-V126 HydrophobicContact CG2-CG2 4.48Å; I29-L133 HydrophobicContact CG2-CD2 4.36Å; I29-T137 HydrophobicContact CG2-CG2 3.22Å
30	N	85.3	Confident	77.4	Confident	47 Å²	47	46.1 Å²	46.1	25%	0.251	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.6	178.3	-172.4	-24.9	0	0	0	110	G32 T137 V138	N30-G32 PolarHBondContact OD1-N 3.2Å; N30-T137 WeakPolarHBondContact O-CA 3.5Å; N30-V138 HydrophobicContact CB-CG2 4.1Å; N30-V138 PolarHBondContact N-O 3.12Å; N30-V138 PolarHBondContact O-N 3.03Å
31	T	75.6	Confident	76.6	Confident	25 Å²	25	42.5 Å²	42.5	15%	0.153	27%	0.269	C	S	.	.			trans	-101.3	36	-174.6	66.4	0	0	0	0	112.9	I29 E33 L38 N136 T137	I29-T31 HydrophobicContact CG2-CG2 4.36Å; T31-E33 PolarHBondContact O-N 2.82Å; T31-L38 PolarHBondContact N-O 2.97Å; T31-L38 WeakPolarHBondContact OG1-CB 3.1Å; T31-N136 CarbonylContact C-O 3.4Å; T31-T137 HydrophobicContact CG2-CG2 3.75Å
32	G	64.7	Low	75.7	Confident	29 Å²	29	41.3 Å²	41.3	30%	0.299	26%	0.258	S	S	.	.			trans	-50.6	132.4	-171.7	0	0	0	0	0	115.6	N30	N30-G32 PolarHBondContact OD1-N 3.2Å
33	E	55.5	Low	74.9	Confident	188 Å²	188	44.8 Å²	44.8	88%	0.879	28%	0.279	S	S	*	.	S	Bend		168.1	-11.4	80.2	-152.6	173.3	-166.6	0	0	113.3	T31	T31-E33 PolarHBondContact O-N 2.82Å
34	S	50.7	Low	74	Confident	112 Å²	112	50.5 Å²	50.5	78%	0.783	30%	0.299	S	S	*	.	S	Bend	trans	-90.8	-17.2	-167.9	53.1	0	0	0	0	117.5
35	T	50.7	Low	73.3	Confident	117 Å²	117	48.8 Å²	48.8	72%	0.718	28%	0.278	S	S	*	.	S	Bend	trans	-153.2	-4.9	-178.2	28	0	0	0	0	116.1
36	G	57.4	Low	72.8	Confident	20 Å²	20	45.3 Å²	45.3	21%	0.206	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.5	135	174.5	0	0	0	0	0	111.2	L38 T48	G36-L38 PolarHBondContact O-N 3.41Å; G36-T48 CarbonylContact C-O 3.54Å; G36-T48 WeakPolarHBondContact CA-O 3.05Å
37	A	63.4	Low	72.2	Confident	42 Å²	42	47.9 Å²	47.9	35%	0.347	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	111	178.6	0	0	0	0	0	109.2	T48	A37-T48 PolarHBondContact N-O 2.77Å; A37-T48 VanDerWaalsContact N-O 3.12Å; A37-T48 PolarHBondContact O-N 3.27Å
38	L	70.6	Confident	71.1	Confident	21 Å²	21	48.9 Å²	48.9	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.8	173.5	-174.9	73.5	0	0	0	109	T31 G36 V40 Q45 Q47	T31-L38 PolarHBondContact N-O 2.97Å; T31-L38 WeakPolarHBondContact OG1-CB 3.1Å; G36-L38 PolarHBondContact O-N 3.41Å; L38-V40 HydrophobicContact CD2-CG2 3.85Å; L38-V40 HydrophobicContact CG-CG2 3.99Å; L38-Q45 HydrophobicContact CD1-CG 3.76Å; L38-Q45 HydrophobicContact CG-CG 4.4Å; L38-Q47 HydrophobicContact CD1-CB 3.71Å; L38-Q47 HydrophobicContact CD1-CG 3.91Å
39	T	77.1	Confident	69.8	Low	10 Å²	10	53.1 Å²	53.1	6%	0.061	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.8	168.9	56.8	0	0	0	0	108	P26 I29 C46 R54	P26-T39 CarbonylContact O-C 3.54Å; I29-T39 WeakPolarHBondContact O-CA 3.1Å; T39-C46 PolarHBondContact N-O 3.29Å; T39-C46 PolarHBondContact O-N 2.96Å; T39-C46 PolarHBondContact OG1-O 3.35Å; T39-C46 VanDerWaalsContact OG1-O 3.08Å; T39-R54 PolarHBondContact OG1-NH2 3.4Å
40	V	77.6	Confident	68.2	Low	3 Å²	3	60.8 Å²	60.8	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123	177.9	-175.7	0	0	0	0	108	P26 W28 I29 L38 Q45 W65	P26-V40 CarbonylContact O-C 3.07Å; W28-V40 WeakPolarHBondContact CA-O 3.49Å; W28-V40 VanDerWaalsContact CB-O 3.29Å; W28-V40 WeakPolarHBondContact CB-O 3.39Å; W28-V40 PolarHBondContact N-O 3.48Å; W28-V40 VanDerWaalsContact N-O 3.08Å; I29-V40 HydrophobicContact CB-CB 4.26Å; I29-V40 PolarHBondContact N-O 3.18Å; I29-V40 PolarHBondContact O-N 3.44Å; L38-V40 HydrophobicContact CD2-CG2 3.85Å; L38-V40 HydrophobicContact CG-CG2 3.99Å; V40-Q45 HydrophobicContact CG2-CG 4.49Å; V40-W65 HydrophobicContact CG1-CH2 3.74Å; V40-W65 HydrophobicContact CG1-CZ3 3.45Å; V40-W65 VanDerWaalsContact CG1-CZ3 3.45Å
41	G	78.3	Confident	66.9	Low	2 Å²	2	63 Å²	63	2%	0.021	37%	0.368	C	S	.	.			trans	-122	163.7	174.9	0	0	0	0	0	111.4	P26 V43 R44	P26-G41 VanDerWaalsContact O-CA 3.29Å; P26-G41 WeakPolarHBondContact O-CA 3.39Å; P26-G41 PolarHBondContact O-N 2.89Å; P26-G41 VanDerWaalsContact O-N 3.08Å; G41-V43 VanDerWaalsContact C-N 3.29Å; G41-V43 PolarHBondContact O-N 3.19Å; G41-R44 CarbonylContact C-O 3.51Å; G41-R44 WeakPolarHBondContact CA-O 3.33Å; G41-R44 PolarHBondContact N-O 3.45Å; G41-R44 VanDerWaalsContact N-O 3.07Å
42	L	75.5	Confident	65.9	Low	2 Å²	2	71.4 Å²	71.4	1%	0.01	40%	0.397	C	S	.	.	S	Bend	trans	-69.4	-24.4	-179.9	-69.7	170.7	0	0	0	113.7	I23 W28 L61 W65 T68 L69 I72 F117	I23-L42 HydrophobicContact CG2-CD1 4.42Å; W28-L42 HydrophobicContact CD2-CD1 3.86Å; W28-L42 HydrophobicContact CD2-CG 3.98Å; W28-L42 HydrophobicContact CE3-CD1 4.01Å; W28-L42 HydrophobicContact CE3-CG 4.33Å; W28-L42 HydrophobicContact CG-CG 4.37Å; W28-L42 HydrophobicContact CH2-CD1 3.61Å; W28-L42 HydrophobicContact CZ2-CD1 3.42Å; W28-L42 VanDerWaalsContact CZ2-CD1 3.42Å; W28-L42 HydrophobicContact CZ2-CG 4.36Å; W28-L42 HydrophobicContact CZ3-CD1 3.88Å; L42-L61 HydrophobicContact CD2-CD2 4.41Å; L42-L61 VanDerWaalsContact O-CD1 3.32Å; L42-L61 WeakPolarHBondContact O-CD1 3.39Å; L42-L61 VanDerWaalsContact O-CD2 3.24Å; L42-L61 WeakPolarHBondContact O-CD2 3.25Å; L42-W65 HydrophobicContact CD2-CB 3.95Å; L42-W65 HydrophobicContact CD2-CG 4.31Å; L42-T68 HydrophobicContact CD1-CG2 4.12Å; L42-T68 HydrophobicContact CD2-CG2 4.3Å; L42-L69 HydrophobicContact CB-CD1 4.15Å; L42-I72 HydrophobicContact CD1-CD1 3.65Å; L42-F117 HydrophobicContact CD2-CD2 4.25Å; L42-F117 HydrophobicContact CD2-CE2 4.28Å
43	V	76.1	Confident	65.7	Low	73 Å²	73	78.4 Å²	78.4	44%	0.442	42%	0.422	S	S	.	.	S	Bend	trans	-113.6	-32.5	-177.3	-177.2	0	0	0	0	111.9	G41 L69	G41-V43 VanDerWaalsContact C-N 3.29Å; G41-V43 PolarHBondContact O-N 3.19Å; V43-L69 HydrophobicContact CG2-CD1 4Å; V43-L69 HydrophobicContact CG2-CD2 4.32Å
44	R	73.4	Confident	66.1	Low	157 Å²	157	75.9 Å²	75.9	59%	0.592	40%	0.404	S	S	*	.			trans	-140.6	142.6	179.5	-66.9	-170	-178.4	-161.4	0.9	110	P26 G41	P26-R44 HydrophobicContact CB-CB 4.35Å; P26-R44 WeakPolarHBondContact CB-O 3.25Å; G41-R44 CarbonylContact C-O 3.51Å; G41-R44 WeakPolarHBondContact CA-O 3.33Å; G41-R44 PolarHBondContact N-O 3.45Å; G41-R44 VanDerWaalsContact N-O 3.07Å
45	Q	74.6	Confident	67.1	Low	39 Å²	39	74.2 Å²	74.2	18%	0.182	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.6	169.2	177	175.5	-6.8	0	0	106.9	L38 V40 C56 I57 P59	L38-Q45 HydrophobicContact CD1-CG 3.76Å; L38-Q45 HydrophobicContact CG-CG 4.4Å; V40-Q45 HydrophobicContact CG2-CG 4.49Å; Q45-C56 CarbonylContact O-C 3.55Å; Q45-C56 VanDerWaalsContact O-CA 3.3Å; Q45-C56 WeakPolarHBondContact O-CA 3.5Å; Q45-I57 PolarHBondContact N-O 3.45Å; Q45-I57 VanDerWaalsContact N-O 3.07Å; Q45-I57 PolarHBondContact O-N 3.3Å; Q45-I57 VanDerWaalsContact O-O 3.11Å; Q45-P59 HydrophobicContact CB-CB 3.92Å; Q45-P59 HydrophobicContact CB-CG 4.24Å
46	C	75	Confident	68.2	Low	2 Å²	2	71.3 Å²	71.3	1%	0.014	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.8	179.9	-57.9	0	0	0	0	109.5	T39 R54 T55 C56	T39-C46 PolarHBondContact N-O 3.29Å; T39-C46 PolarHBondContact O-N 2.96Å; T39-C46 PolarHBondContact OG1-O 3.35Å; T39-C46 VanDerWaalsContact OG1-O 3.08Å; C46-R54 HydrophobicContact CB-CG 4Å; C46-T55 WeakPolarHBondContact CA-O 3.36Å; C46-C56 HydrophobicContact CB-CB 4.16Å; C46-C56 WeakPolarHBondContact CB-SG 3.21Å; C46-C56 WeakPolarHBondContact SG-CB 3.13Å; C46-C56 CovalentContact SG-SG 2.05Å; C46-C56 PolarHBondContact SG-SG 2.91Å
47	Q	69.3	Low	69	Low	80 Å²	80	75.7 Å²	75.7	37%	0.374	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.8	179.8	-168.7	174	-32.1	0	0	109.6	L38 I49 T55	L38-Q47 HydrophobicContact CD1-CB 3.71Å; L38-Q47 HydrophobicContact CD1-CG 3.91Å; Q47-I49 HydrophobicContact CG-CG1 4.03Å; Q47-T55 PolarHBondContact N-O 3.42Å; Q47-T55 PolarHBondContact O-N 2.84Å
48	T	64.9	Low	69.2	Low	54 Å²	54	78.9 Å²	78.9	33%	0.331	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	102.5	173.3	-45	0	0	0	0	108.2	G36 A37	G36-T48 CarbonylContact C-O 3.54Å; G36-T48 WeakPolarHBondContact CA-O 3.05Å; A37-T48 PolarHBondContact N-O 2.77Å; A37-T48 VanDerWaalsContact N-O 3.12Å; A37-T48 PolarHBondContact O-N 3.27Å
49	I	62.5	Low	69.2	Low	92 Å²	92	78.8 Å²	78.8	47%	0.472	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.4	174.1	-55.1	176	0	0	0	107.3	Q47 G51 R52	Q47-I49 HydrophobicContact CG-CG1 4.03Å; I49-G51 PolarHBondContact O-N 3.01Å; I49-R52 PolarHBondContact O-N 3.33Å
50	H	54.8	Low	69	Low	162 Å²	162	89.7 Å²	89.7	75%	0.75	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-25.2	111.8	-175	-94.8	41.8	0	0	0	115.3	R52	H50-R52 VanDerWaalsContact C-N 3.27Å; H50-R52 PolarHBondContact O-N 3.36Å
51	G	56.5	Low	68.7	Low	94 Å²	94	91.9 Å²	91.9	97%	0.969	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	5	172.1	0	0	0	0	0	116.3	I49	I49-G51 PolarHBondContact O-N 3.01Å
52	R	55.7	Low	69	Low	201 Å²	201	92.6 Å²	92.6	76%	0.758	46%	0.464	S	S	*	.	S	Bend	trans	-108.6	150.9	177.5	-159.6	127.7	-156.5	176.3	6.8	112.2	I49 H50	I49-R52 PolarHBondContact O-N 3.33Å; H50-R52 VanDerWaalsContact C-N 3.27Å; H50-R52 PolarHBondContact O-N 3.36Å
53	E	60.1	Low	69.6	Low	175 Å²	175	96.8 Å²	96.8	82%	0.818	49%	0.491	S	S	*	.			trans	-51	141.7	175.1	-71.4	-173.7	154.8	0	0	112.1	T55	E53-T55 PolarHBondContact O-N 3.49Å
54	R	64.1	Low	70.2	Confident	136 Å²	136	95.1 Å²	95.1	51%	0.513	48%	0.479	S	S	.	.			trans	-61.9	104.2	-180	-173	175.4	-172	153.4	3.6	110	T39 C46	T39-R54 PolarHBondContact OG1-NH2 3.4Å; C46-R54 HydrophobicContact CB-CG 4Å
55	T	71.3	Confident	71	Confident	76 Å²	76	88 Å²	88	47%	0.466	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.6	175.4	52.5	0	0	0	0	109.9	C46 Q47 E53	C46-T55 WeakPolarHBondContact CA-O 3.36Å; Q47-T55 PolarHBondContact N-O 3.42Å; Q47-T55 PolarHBondContact O-N 2.84Å; E53-T55 PolarHBondContact O-N 3.49Å
56	C	74.8	Confident	71.8	Confident	56 Å²	56	89.7 Å²	89.7	38%	0.378	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.5	175.8	-61	0	0	0	0	109.9	Q45 C46	Q45-C56 CarbonylContact O-C 3.55Å; Q45-C56 VanDerWaalsContact O-CA 3.3Å; Q45-C56 WeakPolarHBondContact O-CA 3.5Å; C46-C56 HydrophobicContact CB-CB 4.16Å; C46-C56 WeakPolarHBondContact CB-SG 3.21Å; C46-C56 WeakPolarHBondContact SG-CB 3.13Å; C46-C56 CovalentContact SG-SG 2.05Å; C46-C56 PolarHBondContact SG-SG 2.91Å
57	I	73.6	Confident	72.7	Confident	113 Å²	113	92.3 Å²	92.3	58%	0.579	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.1	-178.1	-57.1	176.2	0	0	0	107.5	Q45 P59	Q45-I57 PolarHBondContact N-O 3.45Å; Q45-I57 VanDerWaalsContact N-O 3.07Å; Q45-I57 PolarHBondContact O-N 3.3Å; Q45-I57 VanDerWaalsContact O-O 3.11Å; I57-P59 WeakPolarHBondContact O-CD 3.33Å
58	P	68.2	Low	73.9	Confident	108 Å²	108	88.5 Å²	88.5	70%	0.701	46%	0.463	S	S	*	.			trans	-61.3	122.5	171.8	24	-32.7	0	0	0	110.1
59	P	69.5	Low	75.2	Confident	19 Å²	19	87.4 Å²	87.4	12%	0.123	46%	0.455	C	S	.	.			trans	-69.3	148.6	-179.8	24.4	-29	0	0	0	111.1	Q45 I57 L61	Q45-P59 HydrophobicContact CB-CB 3.92Å; Q45-P59 HydrophobicContact CB-CG 4.24Å; I57-P59 WeakPolarHBondContact O-CD 3.33Å; P59-L61 HydrophobicContact CB-CG 4.36Å; P59-L61 HydrophobicContact CG-CD1 4.02Å; P59-L61 HydrophobicContact CG-CD2 4.47Å; P59-L61 HydrophobicContact CG-CG 3.98Å; P59-L61 PolarHBondContact O-N 2.83Å; P59-L61 VanDerWaalsContact O-N 3.12Å
60	R	72.5	Confident	76.8	Confident	240 Å²	240	88.7 Å²	88.7	91%	0.906	46%	0.457	S	S	*	.			trans	-77.6	93.4	160.8	-75.5	-166.4	172.7	-172.6	-0.7	107.9
61	L	72	Confident	78.8	Confident	49 Å²	49	83.2 Å²	83.2	26%	0.257	43%	0.432	S	S	.	.			trans	-72	130.7	-177.9	-72.1	130.6	0	0	0	110.7	L42 P59 W65 V66	L42-L61 HydrophobicContact CD2-CD2 4.41Å; L42-L61 VanDerWaalsContact O-CD1 3.32Å; L42-L61 WeakPolarHBondContact O-CD1 3.39Å; L42-L61 VanDerWaalsContact O-CD2 3.24Å; L42-L61 WeakPolarHBondContact O-CD2 3.25Å; P59-L61 HydrophobicContact CB-CG 4.36Å; P59-L61 HydrophobicContact CG-CD1 4.02Å; P59-L61 HydrophobicContact CG-CD2 4.47Å; P59-L61 HydrophobicContact CG-CG 3.98Å; P59-L61 PolarHBondContact O-N 2.83Å; P59-L61 VanDerWaalsContact O-N 3.12Å; L61-W65 HydrophobicContact CD2-CB 3.7Å; L61-W65 HydrophobicContact CD2-CE3 4.14Å; L61-V66 HydrophobicContact CB-CG2 3.65Å
62	P	84.4	Confident	80.7	Confident	16 Å²	16	78.8 Å²	78.8	10%	0.104	39%	0.385	C	S	.	.			trans	-65.5	155.7	168.1	36.1	-41	0	0	0	109.4	E64 W65 V66 I123	P62-E64 WeakPolarHBondContact CB-OE2 3.3Å; P62-E64 PolarHBondContact O-N 3.1Å; P62-E64 VanDerWaalsContact O-N 3.12Å; P62-W65 HydrophobicContact CG-CB 3.95Å; P62-W65 HydrophobicContact CG-CD2 3.7Å; P62-W65 HydrophobicContact CG-CE3 3.94Å; P62-W65 HydrophobicContact CG-CG 3.69Å; P62-W65 PolarHBondContact O-N 3.21Å; P62-V66 PolarHBondContact O-N 3.36Å; P62-V66 VanDerWaalsContact O-N 3.13Å; P62-I123 HydrophobicContact CB-CG2 3.75Å; P62-I123 HydrophobicContact CG-CD1 4.47Å; P62-I123 HydrophobicContact CG-CG2 3.69Å
63	P	87.6	Confident	82.7	Confident	90 Å²	90	72.8 Å²	72.8	58%	0.584	37%	0.368	S	S	*	.	H	α-helix	trans	-56.5	-32.8	-174.9	22	-32.3	0	0	0	112.9	V66 T67	P63-V66 PolarHBondContact O-N 2.99Å; P63-T67 WeakPolarHBondContact O-CG2 3.35Å; P63-T67 PolarHBondContact O-N 3.46Å; P63-T67 PolarHBondContact O-OG1 3.34Å
64	E	89.7	Confident	84.4	Confident	39 Å²	39	68.1 Å²	68.1	18%	0.182	35%	0.347	C	S	.	.	H	α-helix	trans	-59.9	-48	176.8	-59.4	81.8	173	0	0	111	P62 V66 T67 T68 I116 I119 Y122	P62-E64 WeakPolarHBondContact CB-OE2 3.3Å; P62-E64 PolarHBondContact O-N 3.1Å; P62-E64 VanDerWaalsContact O-N 3.12Å; E64-V66 VanDerWaalsContact C-N 3.34Å; E64-V66 PolarHBondContact O-N 3.39Å; E64-T67 WeakPolarHBondContact CA-OG1 3.45Å; E64-T67 PolarHBondContact O-N 2.91Å; E64-T67 PolarHBondContact O-OG1 2.89Å; E64-T68 PolarHBondContact O-N 2.89Å; E64-T68 PolarHBondContact O-OG1 2.94Å; E64-I116 HydrophobicContact CB-CG2 4.18Å; E64-I116 WeakPolarHBondContact O-CG2 3.11Å; E64-I119 HydrophobicContact CG-CB 4.47Å; E64-I119 HydrophobicContact CG-CG2 4.12Å; E64-Y122 VanDerWaalsContact CD-OH 3.24Å; E64-Y122 WeakPolarHBondContact OE1-CE1 3.31Å; E64-Y122 PolarHBondContact OE1-OH 3.31Å; E64-Y122 PolarHBondContact OE2-OH 2.87Å
65	W	90.3	Very high	86	Confident	6 Å²	6	61.6 Å²	61.6	2%	0.023	32%	0.322	C	S	.	.	H	α-helix	trans	-72.5	-29.3	179.8	-68.3	-3.2	0	0	0	112.7	I29 V40 L42 L61 P62 T68 L69 F117 F121 I123 V126	I29-W65 HydrophobicContact CD1-CH2 3.89Å; I29-W65 HydrophobicContact CD1-CZ2 3.7Å; V40-W65 HydrophobicContact CG1-CH2 3.74Å; V40-W65 HydrophobicContact CG1-CZ3 3.45Å; V40-W65 VanDerWaalsContact CG1-CZ3 3.45Å; L42-W65 HydrophobicContact CD2-CB 3.95Å; L42-W65 HydrophobicContact CD2-CG 4.31Å; L61-W65 HydrophobicContact CD2-CB 3.7Å; L61-W65 HydrophobicContact CD2-CE3 4.14Å; P62-W65 HydrophobicContact CG-CB 3.95Å; P62-W65 HydrophobicContact CG-CD2 3.7Å; P62-W65 HydrophobicContact CG-CE3 3.94Å; P62-W65 HydrophobicContact CG-CG 3.69Å; P62-W65 PolarHBondContact O-N 3.21Å; W65-T68 PolarHBondContact O-N 3.16Å; W65-L69 WeakPolarHBondContact O-CB 3.13Å; W65-L69 PolarHBondContact O-N 3.47Å; W65-F117 AromaticContact NE1-CD2 3.95Å; W65-F117 PolarHBondContact NE1-O 3.48Å; W65-F117 VanDerWaalsContact NE1-O 3.15Å; W65-F121 HydrophobicContact CZ2-CD1 4.49Å; W65-I123 HydrophobicContact CE3-CD1 4.03Å; W65-I123 HydrophobicContact CH2-CD1 3.14Å; W65-I123 HydrophobicContact CH2-CG1 4.02Å; W65-I123 HydrophobicContact CZ2-CD1 3.78Å; W65-I123 HydrophobicContact CZ2-CG1 4.3Å; W65-I123 HydrophobicContact CZ3-CD1 3.27Å; W65-V126 HydrophobicContact CH2-CG2 3.82Å; W65-V126 HydrophobicContact CZ2-CG2 4.19Å
66	V	91.6	Very high	87.2	Confident	75 Å²	75	58.8 Å²	58.8	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-44.8	169	177.5	0	0	0	0	110.3	L61 P62 P63 E64 L69 F70	L61-V66 HydrophobicContact CB-CG2 3.65Å; P62-V66 PolarHBondContact O-N 3.36Å; P62-V66 VanDerWaalsContact O-N 3.13Å; P63-V66 PolarHBondContact O-N 2.99Å; E64-V66 VanDerWaalsContact C-N 3.34Å; E64-V66 PolarHBondContact O-N 3.39Å; V66-L69 PolarHBondContact O-N 3.24Å; V66-F70 WeakPolarHBondContact O-CB 3.32Å; V66-F70 PolarHBondContact O-N 3.49Å
67	T	93.3	Very high	88.3	Confident	58 Å²	58	60.4 Å²	60.4	36%	0.356	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-39.3	176.4	56.7	0	0	0	0	112.4	P63 E64 F70 F71 I116	P63-T67 WeakPolarHBondContact O-CG2 3.35Å; P63-T67 PolarHBondContact O-N 3.46Å; P63-T67 PolarHBondContact O-OG1 3.34Å; E64-T67 WeakPolarHBondContact CA-OG1 3.45Å; E64-T67 PolarHBondContact O-N 2.91Å; E64-T67 PolarHBondContact O-OG1 2.89Å; T67-F70 PolarHBondContact O-N 3.44Å; T67-F71 WeakPolarHBondContact O-CD2 3.49Å; T67-F71 PolarHBondContact O-N 2.9Å; T67-I116 WeakPolarHBondContact OG1-CG2 3.4Å
68	T	94.3	Very high	89.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.6	-50.9	170.8	-65.2	0	0	0	0	110.9	L42 E64 W65 F70 F71 I72 A113 I116 F117	L42-T68 HydrophobicContact CD1-CG2 4.12Å; L42-T68 HydrophobicContact CD2-CG2 4.3Å; E64-T68 PolarHBondContact O-N 2.89Å; E64-T68 PolarHBondContact O-OG1 2.94Å; W65-T68 PolarHBondContact O-N 3.16Å; T68-F70 VanDerWaalsContact C-N 3.32Å; T68-F70 PolarHBondContact O-N 3.2Å; T68-F71 PolarHBondContact O-N 3.44Å; T68-I72 HydrophobicContact CG2-CD1 3.76Å; T68-I72 HydrophobicContact CG2-CG1 4.43Å; T68-I72 VanDerWaalsContact O-CG1 3.32Å; T68-I72 WeakPolarHBondContact O-CG1 3.34Å; T68-I72 PolarHBondContact O-N 2.98Å; T68-A113 HydrophobicContact CG2-CB 4.15Å; T68-I116 WeakPolarHBondContact OG1-CG2 3.47Å; T68-F117 HydrophobicContact CG2-CB 3.83Å; T68-F117 HydrophobicContact CG2-CD2 4.19Å; T68-F117 HydrophobicContact CG2-CG 4.44Å; T68-F117 WeakPolarHBondContact OG1-CA 3.46Å; T68-F117 PolarHBondContact OG1-N 2.9Å
69	L	93.6	Very high	90.6	Very high	30 Å²	30	50.6 Å²	50.6	16%	0.157	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-42.8	-179.8	-179.9	62	0	0	0	111.5	I23 L42 V43 W65 V66 F71 I72 I73	I23-L69 HydrophobicContact CG2-CD1 3.84Å; L42-L69 HydrophobicContact CB-CD1 4.15Å; V43-L69 HydrophobicContact CG2-CD1 4Å; V43-L69 HydrophobicContact CG2-CD2 4.32Å; W65-L69 WeakPolarHBondContact O-CB 3.13Å; W65-L69 PolarHBondContact O-N 3.47Å; V66-L69 PolarHBondContact O-N 3.24Å; L69-F71 PolarHBondContact O-N 3.44Å; L69-I72 PolarHBondContact O-N 3.35Å; L69-I73 HydrophobicContact CD1-CD1 4.08Å; L69-I73 HydrophobicContact CD1-CG1 4.33Å; L69-I73 HydrophobicContact CG-CD1 3.95Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.36Å; L69-I73 PolarHBondContact O-N 2.96Å
70	F	95.1	Very high	91.9	Very high	119 Å²	119	53 Å²	53	52%	0.522	27%	0.266	S	S	.	.	H	α-helix	trans	-58.3	-47.8	175.4	174.7	-98.4	0	0	0	112	V66 T67 T68 I72 I73 M74	V66-F70 WeakPolarHBondContact O-CB 3.32Å; V66-F70 PolarHBondContact O-N 3.49Å; T67-F70 PolarHBondContact O-N 3.44Å; T68-F70 VanDerWaalsContact C-N 3.32Å; T68-F70 PolarHBondContact O-N 3.2Å; F70-I72 PolarHBondContact O-N 3.3Å; F70-I73 PolarHBondContact O-N 3.19Å; F70-M74 HydrophobicContact CD1-CG 4.46Å; F70-M74 HydrophobicContact CD2-CG 4.48Å; F70-M74 HydrophobicContact CE1-CG 4.04Å; F70-M74 HydrophobicContact CE2-CG 4.06Å; F70-M74 HydrophobicContact CE2-SD 4.48Å; F70-M74 HydrophobicContact CZ-CG 3.82Å; F70-M74 HydrophobicContact CZ-SD 4.39Å; F70-M74 WeakPolarHBondContact O-CG 3.4Å; F70-M74 PolarHBondContact O-N 2.93Å
71	F	97.1	Very high	92.9	Very high	48 Å²	48	44.7 Å²	44.7	21%	0.211	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-37.4	178.5	-74.8	-51.1	0	0	0	112.9	T67 T68 L69 G75 L109 M112 A113 I116	T67-F71 WeakPolarHBondContact O-CD2 3.49Å; T67-F71 PolarHBondContact O-N 2.9Å; T68-F71 PolarHBondContact O-N 3.44Å; L69-F71 PolarHBondContact O-N 3.44Å; F71-G75 PolarHBondContact O-N 2.77Å; F71-L109 HydrophobicContact CD1-CD2 3.57Å; F71-L109 HydrophobicContact CE1-CD2 4.02Å; F71-M112 HydrophobicContact CD2-CB 4.49Å; F71-A113 HydrophobicContact CB-CB 3.85Å; F71-I116 HydrophobicContact CD2-CD1 3.73Å; F71-I116 HydrophobicContact CE2-CD1 3.42Å; F71-I116 VanDerWaalsContact CE2-CD1 3.42Å
72	I	96.2	Very high	93.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-46.1	174.8	-66.1	169.8	0	0	0	110.7	I23 W28 L42 T68 L69 F70 M74 G75 I76 F110 A113 F146	I23-I72 HydrophobicContact CG2-CG2 3.84Å; W28-I72 HydrophobicContact CH2-CD1 3.46Å; W28-I72 VanDerWaalsContact CH2-CD1 3.46Å; W28-I72 HydrophobicContact CZ2-CD1 3.98Å; W28-I72 HydrophobicContact CZ3-CD1 4.32Å; L42-I72 HydrophobicContact CD1-CD1 3.65Å; T68-I72 HydrophobicContact CG2-CD1 3.76Å; T68-I72 HydrophobicContact CG2-CG1 4.43Å; T68-I72 VanDerWaalsContact O-CG1 3.32Å; T68-I72 WeakPolarHBondContact O-CG1 3.34Å; T68-I72 PolarHBondContact O-N 2.98Å; L69-I72 PolarHBondContact O-N 3.35Å; F70-I72 PolarHBondContact O-N 3.3Å; I72-M74 PolarHBondContact O-N 2.87Å; I72-G75 PolarHBondContact O-N 3.41Å; I72-I76 HydrophobicContact CG2-CD1 3.82Å; I72-I76 HydrophobicContact CG2-CG1 4.39Å; I72-I76 WeakPolarHBondContact O-CG1 3.29Å; I72-I76 PolarHBondContact O-N 3.01Å; I72-F110 HydrophobicContact CG2-CE1 4.46Å; I72-F110 WeakPolarHBondContact O-CE1 3.47Å; I72-A113 HydrophobicContact CD1-CB 4.43Å; I72-A113 HydrophobicContact CG1-CB 3.75Å; I72-F146 HydrophobicContact CD1-CD2 4.28Å; I72-F146 HydrophobicContact CD1-CE1 4.46Å; I72-F146 HydrophobicContact CD1-CE2 4.05Å; I72-F146 HydrophobicContact CD1-CZ 4.14Å; I72-F146 HydrophobicContact CG1-CD2 4.31Å; I72-F146 HydrophobicContact CG1-CE2 3.66Å; I72-F146 HydrophobicContact CG1-CZ 3.82Å; I72-F146 HydrophobicContact CG2-CE2 4.45Å
73	I	96.6	Very high	94.3	Very high	76 Å²	76	42.6 Å²	42.6	39%	0.39	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-46.6	178.7	-69.2	167.9	0	0	0	110.7	L69 F70 G75 I76 I77	L69-I73 HydrophobicContact CD1-CD1 4.08Å; L69-I73 HydrophobicContact CD1-CG1 4.33Å; L69-I73 HydrophobicContact CG-CD1 3.95Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.36Å; L69-I73 PolarHBondContact O-N 2.96Å; F70-I73 PolarHBondContact O-N 3.19Å; I73-G75 VanDerWaalsContact C-N 3.29Å; I73-G75 PolarHBondContact O-N 3.46Å; I73-I76 PolarHBondContact O-N 3.26Å; I73-I77 HydrophobicContact CG2-CD1 3.96Å; I73-I77 WeakPolarHBondContact O-CG1 3.1Å; I73-I77 PolarHBondContact O-N 2.99Å
74	M	97.5	Very high	94.5	Very high	76 Å²	76	40.3 Å²	40.3	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-36.8	176.8	-70.6	-62	-63.4	0	0	112.2	F70 I72 I77 S78 L109	F70-M74 HydrophobicContact CD1-CG 4.46Å; F70-M74 HydrophobicContact CD2-CG 4.48Å; F70-M74 HydrophobicContact CE1-CG 4.04Å; F70-M74 HydrophobicContact CE2-CG 4.06Å; F70-M74 HydrophobicContact CE2-SD 4.48Å; F70-M74 HydrophobicContact CZ-CG 3.82Å; F70-M74 HydrophobicContact CZ-SD 4.39Å; F70-M74 WeakPolarHBondContact O-CG 3.4Å; F70-M74 PolarHBondContact O-N 2.93Å; I72-M74 PolarHBondContact O-N 2.87Å; M74-I77 HydrophobicContact SD-CD1 4.47Å; M74-S78 WeakPolarHBondContact O-CB 3.46Å; M74-S78 PolarHBondContact O-N 3.18Å; M74-S78 PolarHBondContact O-OG 3.27Å; M74-L109 HydrophobicContact CB-CD1 3.88Å
75	G	96.6	Very high	94.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-41.9	175	0	0	0	0	0	113	F71 I72 I73 S78 L79 F110	F71-G75 PolarHBondContact O-N 2.77Å; I72-G75 PolarHBondContact O-N 3.41Å; I73-G75 VanDerWaalsContact C-N 3.29Å; I73-G75 PolarHBondContact O-N 3.46Å; G75-S78 WeakPolarHBondContact O-CB 3.22Å; G75-S78 PolarHBondContact O-N 2.97Å; G75-L79 PolarHBondContact O-N 3.3Å; G75-F110 VanDerWaalsContact CA-CE1 3.47Å
76	I	97.1	Very high	94.3	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.087	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-51.7	173.5	-71.4	167.3	0	0	0	110	A19 I20 I23 I72 I73 S78 L79 T80 F110	A19-I76 HydrophobicContact CB-CD1 4.04Å; A19-I76 HydrophobicContact CB-CG1 3.62Å; I20-I76 HydrophobicContact CD1-CG2 4.16Å; I20-I76 HydrophobicContact CG1-CD1 4.04Å; I20-I76 HydrophobicContact CG1-CG1 4.37Å; I20-I76 HydrophobicContact CG1-CG2 3.79Å; I23-I76 HydrophobicContact CD1-CD1 3.35Å; I23-I76 HydrophobicContact CG1-CD1 4.11Å; I72-I76 HydrophobicContact CG2-CD1 3.82Å; I72-I76 HydrophobicContact CG2-CG1 4.39Å; I72-I76 WeakPolarHBondContact O-CG1 3.29Å; I72-I76 PolarHBondContact O-N 3.01Å; I73-I76 PolarHBondContact O-N 3.26Å; I76-S78 PolarHBondContact O-N 2.91Å; I76-L79 PolarHBondContact O-N 3.24Å; I76-T80 PolarHBondContact O-N 3.4Å; I76-T80 PolarHBondContact O-OG1 3.05Å; I76-F110 HydrophobicContact CG1-CE1 4.33Å; I76-F110 HydrophobicContact CG1-CZ 4.2Å
77	I	97.2	Very high	94.1	Very high	89 Å²	89	42.1 Å²	42.1	46%	0.456	24%	0.237	S	C	.	.	H	α-helix	trans	-54.6	-43.1	177.2	-66.9	166.2	0	0	0	110.6	I73 M74 T80 V81	I73-I77 HydrophobicContact CG2-CD1 3.96Å; I73-I77 WeakPolarHBondContact O-CG1 3.1Å; I73-I77 PolarHBondContact O-N 2.99Å; M74-I77 HydrophobicContact SD-CD1 4.47Å; I77-T80 PolarHBondContact O-N 3.01Å; I77-V81 HydrophobicContact CG2-CG2 4.48Å; I77-V81 WeakPolarHBondContact O-CB 3.16Å; I77-V81 VanDerWaalsContact O-CG2 3.23Å; I77-V81 WeakPolarHBondContact O-CG2 3.36Å; I77-V81 PolarHBondContact O-N 3.42Å
78	S	96.1	Very high	93.7	Very high	15 Å²	15	41.9 Å²	41.9	11%	0.105	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-46.8	177.3	-57.4	0	0	0	0	111.6	M74 G75 I76 V81 T82 I102	M74-S78 WeakPolarHBondContact O-CB 3.46Å; M74-S78 PolarHBondContact O-N 3.18Å; M74-S78 PolarHBondContact O-OG 3.27Å; G75-S78 WeakPolarHBondContact O-CB 3.22Å; G75-S78 PolarHBondContact O-N 2.97Å; I76-S78 PolarHBondContact O-N 2.91Å; S78-V81 PolarHBondContact O-N 3.36Å; S78-T82 PolarHBondContact O-N 3.26Å; S78-T82 PolarHBondContact O-OG1 3.22Å; S78-I102 VanDerWaalsContact O-CG2 3.26Å; S78-I102 WeakPolarHBondContact O-CG2 3.49Å
79	L	94.6	Very high	93.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.6	-42	177.8	-76.7	-171.6	0	0	0	113.2	F12 A15 D16 G75 I76 V81 T82 C83 F110 T153	F12-L79 HydrophobicContact CD1-CD2 3.91Å; A15-L79 HydrophobicContact CB-CD1 3.76Å; D16-L79 HydrophobicContact CB-CB 4.19Å; D16-L79 HydrophobicContact CB-CD1 4.41Å; G75-L79 PolarHBondContact O-N 3.3Å; I76-L79 PolarHBondContact O-N 3.24Å; L79-V81 VanDerWaalsContact C-N 3.31Å; L79-V81 PolarHBondContact O-N 2.73Å; L79-T82 WeakPolarHBondContact O-CB 3.46Å; L79-T82 PolarHBondContact O-N 2.63Å; L79-C83 PolarHBondContact O-N 3.41Å; L79-C83 PolarHBondContact O-SG 2.94Å; L79-F110 HydrophobicContact CD1-CE2 3.49Å; L79-F110 VanDerWaalsContact CD1-CE2 3.49Å; L79-F110 HydrophobicContact CD1-CZ 3.93Å; L79-F110 HydrophobicContact CG-CE2 4.24Å; L79-T153 HydrophobicContact CD2-CG2 4.03Å
80	T	95.8	Very high	92.5	Very high	69 Å²	69	46.4 Å²	46.4	42%	0.423	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-43.3	175.8	-52.1	0	0	0	0	110.6	D16 I76 I77 C83 G84	D16-T80 PolarHBondContact OD1-OG1 3.17Å; D16-T80 PolarHBondContact OD2-OG1 2.72Å; I76-T80 PolarHBondContact O-N 3.4Å; I76-T80 PolarHBondContact O-OG1 3.05Å; I77-T80 PolarHBondContact O-N 3.01Å; T80-C83 PolarHBondContact O-N 3.34Å; T80-G84 PolarHBondContact O-N 2.05Å
81	V	94.9	Very high	91.8	Very high	66 Å²	66	52.2 Å²	52.2	40%	0.4	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-43.4	174.5	171.3	0	0	0	0	111	I77 S78 L79 C83 G84 L85 I102	I77-V81 HydrophobicContact CG2-CG2 4.48Å; I77-V81 WeakPolarHBondContact O-CB 3.16Å; I77-V81 VanDerWaalsContact O-CG2 3.23Å; I77-V81 WeakPolarHBondContact O-CG2 3.36Å; I77-V81 PolarHBondContact O-N 3.42Å; S78-V81 PolarHBondContact O-N 3.36Å; L79-V81 VanDerWaalsContact C-N 3.31Å; L79-V81 PolarHBondContact O-N 2.73Å; V81-C83 VanDerWaalsContact C-N 3.34Å; V81-C83 PolarHBondContact O-N 3.3Å; V81-G84 PolarHBondContact O-N 3.25Å; V81-L85 HydrophobicContact CG1-CD1 3.91Å; V81-L85 HydrophobicContact CG1-CG 4.26Å; V81-L85 WeakPolarHBondContact O-CB 3.45Å; V81-L85 WeakPolarHBondContact O-CG 3.47Å; V81-L85 PolarHBondContact O-N 3.27Å; V81-I102 HydrophobicContact CB-CG2 4.44Å; V81-I102 HydrophobicContact CG1-CD1 3.92Å; V81-I102 HydrophobicContact CG1-CG2 4.33Å
82	T	93.3	Very high	90.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.1	-46.8	173.8	-71.6	0	0	0	0	111.4	F12 S78 L79 G84 L85 L86 A99 A103	F12-T82 HydrophobicContact CD2-CG2 3.82Å; F12-T82 HydrophobicContact CE2-CG2 4.1Å; F12-T82 HydrophobicContact CG-CG2 4.17Å; S78-T82 PolarHBondContact O-N 3.26Å; S78-T82 PolarHBondContact O-OG1 3.22Å; L79-T82 WeakPolarHBondContact O-CB 3.46Å; L79-T82 PolarHBondContact O-N 2.63Å; T82-G84 PolarHBondContact O-N 2.9Å; T82-L85 PolarHBondContact O-N 3Å; T82-L86 HydrophobicContact CG2-CD1 4.06Å; T82-L86 HydrophobicContact CG2-CG 4.39Å; T82-L86 WeakPolarHBondContact O-CG 3.32Å; T82-L86 PolarHBondContact O-N 2.97Å; T82-A99 HydrophobicContact CG2-CB 4.26Å; T82-A99 PolarHBondContact OG1-O 2.98Å; T82-A99 VanDerWaalsContact OG1-O 3.1Å; T82-A103 HydrophobicContact CG2-CB 3.85Å; T82-A103 PolarHBondContact OG1-N 3.25Å
83	C	92.1	Very high	89.7	Confident	21 Å²	21	69.5 Å²	69.5	14%	0.142	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-46.5	178.1	-67.2	0	0	0	0	110.9	L79 T80 V81 L85 L86 V87	L79-C83 PolarHBondContact O-N 3.41Å; L79-C83 PolarHBondContact O-SG 2.94Å; T80-C83 PolarHBondContact O-N 3.34Å; V81-C83 VanDerWaalsContact C-N 3.34Å; V81-C83 PolarHBondContact O-N 3.3Å; C83-L85 PolarHBondContact O-N 3.21Å; C83-L86 PolarHBondContact O-N 3.38Å; C83-V87 WeakPolarHBondContact O-CG2 3.43Å; C83-V87 PolarHBondContact O-N 3.36Å
84	G	90.9	Very high	88.7	Confident	42 Å²	42	71.4 Å²	71.4	43%	0.433	35%	0.351	S	S	.	.	H	α-helix	trans	-60.2	-41.8	175.5	0	0	0	0	0	113.2	T80 V81 T82 V87 A88	T80-G84 PolarHBondContact O-N 2.05Å; V81-G84 PolarHBondContact O-N 3.25Å; T82-G84 PolarHBondContact O-N 2.9Å; G84-V87 PolarHBondContact O-N 3.4Å; G84-A88 WeakPolarHBondContact O-CB 3.46Å; G84-A88 PolarHBondContact O-N 2.89Å
85	L	89.8	Confident	87.9	Confident	46 Å²	46	68.5 Å²	68.5	24%	0.241	34%	0.339	C	S	.	.	H	α-helix	trans	-68.4	-34.9	176.7	-73.1	174.4	0	0	0	112.8	V81 T82 C83 A88 S89 A99 I102	V81-L85 HydrophobicContact CG1-CD1 3.91Å; V81-L85 HydrophobicContact CG1-CG 4.26Å; V81-L85 WeakPolarHBondContact O-CB 3.45Å; V81-L85 WeakPolarHBondContact O-CG 3.47Å; V81-L85 PolarHBondContact O-N 3.27Å; T82-L85 PolarHBondContact O-N 3Å; C83-L85 PolarHBondContact O-N 3.21Å; L85-A88 PolarHBondContact O-N 3.25Å; L85-S89 VanDerWaalsContact O-CB 3.32Å; L85-S89 WeakPolarHBondContact O-CB 3.44Å; L85-S89 PolarHBondContact O-N 2.93Å; L85-A99 HydrophobicContact CB-CB 3.91Å; L85-A99 HydrophobicContact CD1-CB 4.48Å; L85-I102 HydrophobicContact CD1-CD1 3.51Å
86	L	87.5	Confident	87.1	Confident	9 Å²	9	70.1 Å²	70.1	5%	0.047	35%	0.349	C	S	.	.	H	α-helix	trans	-67.5	-39.1	174.2	-72.1	177	0	0	0	111.3	T5 F12 T82 C83 S89 T96 A99	T5-L86 HydrophobicContact CG2-CD2 4.08Å; F12-L86 HydrophobicContact CD2-CD1 3.64Å; F12-L86 HydrophobicContact CE2-CD1 4.13Å; T82-L86 HydrophobicContact CG2-CD1 4.06Å; T82-L86 HydrophobicContact CG2-CG 4.39Å; T82-L86 WeakPolarHBondContact O-CG 3.32Å; T82-L86 PolarHBondContact O-N 2.97Å; C83-L86 PolarHBondContact O-N 3.38Å; L86-S89 WeakPolarHBondContact O-CB 3.46Å; L86-S89 PolarHBondContact O-N 3.32Å; L86-T96 HydrophobicContact CD2-CG2 4.49Å; L86-A99 HydrophobicContact CD2-CB 3.9Å; L86-A99 HydrophobicContact CG-CB 4.05Å
87	V	86.8	Confident	86.4	Confident	104 Å²	104	75.4 Å²	75.4	63%	0.63	37%	0.371	S	S	*	.	H	α-helix	trans	-62.8	-46.5	171.5	175.7	0	0	0	0	110.5	C83 G84 S89 H90	C83-V87 WeakPolarHBondContact O-CG2 3.43Å; C83-V87 PolarHBondContact O-N 3.36Å; G84-V87 PolarHBondContact O-N 3.4Å; V87-S89 PolarHBondContact O-N 3.12Å; V87-H90 VanDerWaalsContact O-CB 3.31Å; V87-H90 WeakPolarHBondContact O-CB 3.39Å; V87-H90 PolarHBondContact O-CD2 2.87Å; V87-H90 VanDerWaalsContact O-CD2 3.23Å; V87-H90 PolarHBondContact O-N 3.34Å
88	A	85.3	Confident	85.9	Confident	53 Å²	53	78.7 Å²	78.7	44%	0.438	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-27.4	176.8	0	0	0	0	0	113.1	G84 L85 H90 W91 R92	G84-A88 WeakPolarHBondContact O-CB 3.46Å; G84-A88 PolarHBondContact O-N 2.89Å; L85-A88 PolarHBondContact O-N 3.25Å; A88-H90 PolarHBondContact O-N 3.38Å; A88-W91 PolarHBondContact O-N 2.71Å; A88-R92 PolarHBondContact O-N 2.99Å
89	S	83.6	Confident	85.6	Confident	5 Å²	5	78 Å²	78	4%	0.035	38%	0.375	C	S	.	.	H	α-helix	trans	-63.5	-20	177.1	-171.1	0	0	0	0	113.1	L85 L86 V87 W91 R92 T96	L85-S89 VanDerWaalsContact O-CB 3.32Å; L85-S89 WeakPolarHBondContact O-CB 3.44Å; L85-S89 PolarHBondContact O-N 2.93Å; L86-S89 WeakPolarHBondContact O-CB 3.46Å; L86-S89 PolarHBondContact O-N 3.32Å; V87-S89 PolarHBondContact O-N 3.12Å; S89-W91 PolarHBondContact O-N 2.97Å; S89-R92 WeakPolarHBondContact CA-O 3.37Å; S89-R92 CarbonylContact O-C 3.48Å; S89-R92 PolarHBondContact O-N 2.95Å; S89-T96 PolarHBondContact OG-OG1 3.31Å
90	H	78.9	Confident	85.3	Confident	120 Å²	120	82.9 Å²	82.9	56%	0.556	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-34.1	169.1	-79.1	-97	0	0	0	112.1	M1 V87 A88	M1-H90 PolarHBondContact SD-CD2 3.44Å; M1-H90 VanDerWaalsContact SD-CE1 3.59Å; M1-H90 PolarHBondContact SD-NE2 2.73Å; V87-H90 VanDerWaalsContact O-CB 3.31Å; V87-H90 WeakPolarHBondContact O-CB 3.39Å; V87-H90 PolarHBondContact O-CD2 2.87Å; V87-H90 VanDerWaalsContact O-CD2 3.23Å; V87-H90 PolarHBondContact O-N 3.34Å; A88-H90 PolarHBondContact O-N 3.38Å
91	W	80.2	Confident	85	Confident	240 Å²	240	88.1 Å²	88.1	91%	0.909	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-38.7	176.1	-115.3	-92.1	0	0	0	112.9	A88 S89	A88-W91 PolarHBondContact O-N 2.71Å; S89-W91 PolarHBondContact O-N 2.97Å
92	R	76.9	Confident	85	Confident	197 Å²	197	87.4 Å²	87.4	74%	0.743	40%	0.399	S	S	*	.			trans	-130.6	101.6	-173.6	-64.4	-125.1	-95.5	-153.6	-4.8	111.9	A88 S89 E94 A95	A88-R92 PolarHBondContact O-N 2.99Å; S89-R92 WeakPolarHBondContact CA-O 3.37Å; S89-R92 CarbonylContact O-C 3.48Å; S89-R92 PolarHBondContact O-N 2.95Å; R92-E94 PolarHBondContact O-N 3.22Å; R92-A95 WeakPolarHBondContact O-CB 3.33Å; R92-A95 PolarHBondContact O-N 3.38Å
93	R	71.9	Confident	85	Confident	214 Å²	214	87.4 Å²	87.4	81%	0.808	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.4	-176.7	-70.4	-175.7	176.2	-162.3	0.4	114.8	A95 T96	R93-A95 PolarHBondContact O-N 2.93Å; R93-T96 WeakPolarHBondContact O-CB 3.37Å; R93-T96 PolarHBondContact O-N 3.21Å; R93-T96 PolarHBondContact O-OG1 2.73Å
94	E	76.4	Confident	85	Confident	116 Å²	116	90.7 Å²	90.7	54%	0.542	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.2	177.7	-65.3	-56.2	139.4	0	0	113.6	R92 T96 K97	R92-E94 PolarHBondContact O-N 3.22Å; E94-T96 PolarHBondContact O-N 3.41Å; E94-T96 VanDerWaalsContact O-N 3.17Å; E94-K97 PolarHBondContact O-N 3.18Å; E94-K97 IonicContact OE1-NZ 2.77Å; E94-K97 IonicContact OE2-NZ 3.85Å; E94-K97 PolarHBondContact OE2-NZ 3.48Å
95	A	79.5	Confident	85.2	Confident	15 Å²	15	92 Å²	92	12%	0.124	41%	0.41	C	S	.	.	H	α-helix	trans	-62.2	-24.1	178.2	0	0	0	0	0	113	R92 R93 K97 Y98 A99	R92-A95 WeakPolarHBondContact O-CB 3.33Å; R92-A95 PolarHBondContact O-N 3.38Å; R93-A95 PolarHBondContact O-N 2.93Å; A95-K97 VanDerWaalsContact C-N 3.3Å; A95-K97 PolarHBondContact O-N 3.43Å; A95-Y98 PolarHBondContact O-N 3.23Å; A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.18Å
96	T	79.9	Confident	85.5	Confident	34 Å²	34	89.8 Å²	89.8	21%	0.209	40%	0.399	C	S	.	.	H	α-helix	trans	-62.9	-34.3	179.6	-41.1	0	0	0	0	112.7	L86 S89 R93 E94 R100	L86-T96 HydrophobicContact CD2-CG2 4.49Å; S89-T96 PolarHBondContact OG-OG1 3.31Å; R93-T96 WeakPolarHBondContact O-CB 3.37Å; R93-T96 PolarHBondContact O-N 3.21Å; R93-T96 PolarHBondContact O-OG1 2.73Å; E94-T96 PolarHBondContact O-N 3.41Å; E94-T96 VanDerWaalsContact O-N 3.17Å; T96-R100 WeakPolarHBondContact O-CG 3.32Å; T96-R100 PolarHBondContact O-N 2.92Å; T96-R100 VanDerWaalsContact O-N 3.16Å
97	K	83.3	Confident	85.9	Confident	128 Å²	128	91.1 Å²	91.1	56%	0.557	41%	0.405	S	S	*	.	H	α-helix	trans	-66.3	-45.2	178.4	-69.2	173.7	-173.8	156	0	110.7	E94 A95 R100 W101	E94-K97 PolarHBondContact O-N 3.18Å; E94-K97 IonicContact OE1-NZ 2.77Å; E94-K97 IonicContact OE2-NZ 3.85Å; E94-K97 PolarHBondContact OE2-NZ 3.48Å; A95-K97 VanDerWaalsContact C-N 3.3Å; A95-K97 PolarHBondContact O-N 3.43Å; K97-R100 PolarHBondContact O-N 3.34Å; K97-W101 PolarHBondContact O-N 3.33Å
98	Y	86.6	Confident	86.4	Confident	159 Å²	159	89.8 Å²	89.8	62%	0.624	39%	0.394	S	S	*	.	H	α-helix	trans	-65.6	-43.7	177.3	-64.3	-77.9	0	0	0	111.7	A95 R100 W101 I102	A95-Y98 PolarHBondContact O-N 3.23Å; Y98-R100 VanDerWaalsContact C-N 3.25Å; Y98-R100 PolarHBondContact O-N 2.67Å; Y98-W101 PolarHBondContact O-N 2.83Å; Y98-I102 WeakPolarHBondContact O-CG1 3.2Å; Y98-I102 PolarHBondContact O-N 2.84Å
99	A	88.4	Confident	86.9	Confident	1 Å²	1	88.6 Å²	88.6	1%	0.008	38%	0.38	C	S	.	.	H	α-helix	trans	-56.4	-39.5	177.1	0	0	0	0	0	112.4	T82 L85 L86 A95 A103	T82-A99 HydrophobicContact CG2-CB 4.26Å; T82-A99 PolarHBondContact OG1-O 2.98Å; T82-A99 VanDerWaalsContact OG1-O 3.1Å; L85-A99 HydrophobicContact CB-CB 3.91Å; L85-A99 HydrophobicContact CD1-CB 4.48Å; L86-A99 HydrophobicContact CD2-CB 3.9Å; L86-A99 HydrophobicContact CG-CB 4.05Å; A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.18Å; A99-A103 VanDerWaalsContact O-CB 3.23Å; A99-A103 WeakPolarHBondContact O-CB 3.43Å; A99-A103 PolarHBondContact O-N 3.23Å
100	R	88.5	Confident	87.6	Confident	101 Å²	101	88.4 Å²	88.4	38%	0.381	38%	0.378	S	S	.	.	H	α-helix	trans	-65.5	-47.3	177	-77.1	173.9	60.8	164.9	-8.6	112.9	T96 K97 Y98 A103 F104 A160 G161	T96-R100 WeakPolarHBondContact O-CG 3.32Å; T96-R100 PolarHBondContact O-N 2.92Å; T96-R100 VanDerWaalsContact O-N 3.16Å; K97-R100 PolarHBondContact O-N 3.34Å; Y98-R100 VanDerWaalsContact C-N 3.25Å; Y98-R100 PolarHBondContact O-N 2.67Å; R100-A103 PolarHBondContact O-N 3.17Å; R100-F104 WeakPolarHBondContact O-CB 3.24Å; R100-F104 PolarHBondContact O-N 3.45Å; R100-A160 WeakPolarHBondContact CD-O 3.39Å; R100-A160 HydrophobicContact CG-CB 4.02Å; R100-A160 PolarHBondContact NE-O 2.65Å; R100-A160 PolarHBondContact NH1-O 3.46Å; R100-G161 VanDerWaalsContact CZ-CA 3.48Å; R100-G161 PolarHBondContact NH1-O 2.96Å
101	W	90.8	Very high	88.4	Confident	180 Å²	180	84.9 Å²	84.9	68%	0.682	37%	0.367	S	S	*	.	H	α-helix	trans	-64.2	-42	179.1	-80.9	111.5	0	0	0	111.9	K97 Y98 F104 T105	K97-W101 PolarHBondContact O-N 3.33Å; Y98-W101 PolarHBondContact O-N 2.83Å; W101-F104 HydrophobicContact CE3-CD1 4.42Å; W101-F104 HydrophobicContact CZ3-CD1 4.4Å; W101-F104 WeakPolarHBondContact O-CB 3.31Å; W101-F104 PolarHBondContact O-N 3.5Å; W101-T105 PolarHBondContact O-N 3.23Å; W101-T105 PolarHBondContact O-OG1 2.91Å
102	I	93.7	Very high	89.2	Confident	51 Å²	51	77.6 Å²	77.6	26%	0.262	34%	0.344	S	S	.	.	H	α-helix	trans	-65.6	-42.3	177.3	-65.6	167.8	0	0	0	110.9	S78 V81 L85 Y98 F104 T105 G106	S78-I102 VanDerWaalsContact O-CG2 3.26Å; S78-I102 WeakPolarHBondContact O-CG2 3.49Å; V81-I102 HydrophobicContact CB-CG2 4.44Å; V81-I102 HydrophobicContact CG1-CD1 3.92Å; V81-I102 HydrophobicContact CG1-CG2 4.33Å; L85-I102 HydrophobicContact CD1-CD1 3.51Å; Y98-I102 WeakPolarHBondContact O-CG1 3.2Å; Y98-I102 PolarHBondContact O-N 2.84Å; I102-F104 VanDerWaalsContact C-N 3.29Å; I102-F104 PolarHBondContact O-N 3.44Å; I102-T105 WeakPolarHBondContact O-CB 3.49Å; I102-T105 PolarHBondContact O-N 2.95Å; I102-G106 PolarHBondContact O-N 3.43Å
103	A	93.2	Very high	90.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-38.7	175.1	0	0	0	0	0	112	F12 T82 A99 R100 G106 M107 L157	F12-A103 HydrophobicContact CE1-CB 3.87Å; F12-A103 HydrophobicContact CE2-CB 4.4Å; F12-A103 HydrophobicContact CZ-CB 3.77Å; T82-A103 HydrophobicContact CG2-CB 3.85Å; T82-A103 PolarHBondContact OG1-N 3.25Å; A99-A103 VanDerWaalsContact O-CB 3.23Å; A99-A103 WeakPolarHBondContact O-CB 3.43Å; A99-A103 PolarHBondContact O-N 3.23Å; R100-A103 PolarHBondContact O-N 3.17Å; A103-G106 PolarHBondContact O-N 3.25Å; A103-M107 PolarHBondContact O-N 3Å; A103-L157 HydrophobicContact CB-CD2 3.72Å; A103-L157 HydrophobicContact CB-CG 4.18Å
104	F	93.8	Very high	91.2	Very high	89 Å²	89	59 Å²	59	39%	0.39	28%	0.278	S	S	.	.	H	α-helix	trans	-65	-41.4	176.1	-177.8	-102	0	0	0	111.7	R100 W101 I102 M107 I108 L157	R100-F104 WeakPolarHBondContact O-CB 3.24Å; R100-F104 PolarHBondContact O-N 3.45Å; W101-F104 HydrophobicContact CE3-CD1 4.42Å; W101-F104 HydrophobicContact CZ3-CD1 4.4Å; W101-F104 WeakPolarHBondContact O-CB 3.31Å; W101-F104 PolarHBondContact O-N 3.5Å; I102-F104 VanDerWaalsContact C-N 3.29Å; I102-F104 PolarHBondContact O-N 3.44Å; F104-M107 HydrophobicContact CD2-CE 3.55Å; F104-M107 HydrophobicContact CE2-CE 3.45Å; F104-M107 VanDerWaalsContact CE2-CE 3.45Å; F104-M107 HydrophobicContact CZ-CE 4.34Å; F104-M107 WeakPolarHBondContact O-CB 3.29Å; F104-M107 PolarHBondContact O-N 3.27Å; F104-I108 HydrophobicContact CD1-CD1 3.91Å; F104-I108 HydrophobicContact CE1-CD1 3.46Å; F104-I108 VanDerWaalsContact CE1-CD1 3.46Å; F104-I108 HydrophobicContact CE1-CG1 4.41Å; F104-I108 HydrophobicContact CZ-CD1 3.93Å; F104-I108 WeakPolarHBondContact O-CG1 3.48Å; F104-I108 PolarHBondContact O-N 3.07Å; F104-I108 VanDerWaalsContact O-N 3.11Å; F104-L157 HydrophobicContact CB-CD2 4.24Å
105	T	94.8	Very high	92.1	Very high	70 Å²	70	58.3 Å²	58.3	43%	0.429	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-45.5	170.6	-57.6	0	0	0	0	111.3	W101 I102 M107 I108 L109	W101-T105 PolarHBondContact O-N 3.23Å; W101-T105 PolarHBondContact O-OG1 2.91Å; I102-T105 WeakPolarHBondContact O-CB 3.49Å; I102-T105 PolarHBondContact O-N 2.95Å; T105-M107 VanDerWaalsContact C-N 3.34Å; T105-M107 PolarHBondContact O-N 3.23Å; T105-I108 PolarHBondContact O-N 3.4Å; T105-L109 HydrophobicContact CG2-CD1 4.08Å; T105-L109 HydrophobicContact CG2-CG 4.48Å; T105-L109 VanDerWaalsContact O-CG 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.45Å; T105-L109 PolarHBondContact O-N 2.92Å
106	G	95.4	Very high	92.8	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-43.3	175.6	0	0	0	0	0	113.2	I102 A103 I108 L109 F110	I102-G106 PolarHBondContact O-N 3.43Å; A103-G106 PolarHBondContact O-N 3.25Å; G106-I108 PolarHBondContact O-N 3.41Å; G106-L109 PolarHBondContact O-N 3.49Å; G106-F110 PolarHBondContact O-N 2.89Å
107	M	96.3	Very high	93.4	Very high	36 Å²	36	57.4 Å²	57.4	18%	0.177	27%	0.269	C	S	.	.	H	α-helix	trans	-58.2	-47.5	174.7	-177	-168.1	71.2	0	0	111.8	A103 F104 T105 L109 F110 C111 T153 I154 L157	A103-M107 PolarHBondContact O-N 3Å; F104-M107 HydrophobicContact CD2-CE 3.55Å; F104-M107 HydrophobicContact CE2-CE 3.45Å; F104-M107 VanDerWaalsContact CE2-CE 3.45Å; F104-M107 HydrophobicContact CZ-CE 4.34Å; F104-M107 WeakPolarHBondContact O-CB 3.29Å; F104-M107 PolarHBondContact O-N 3.27Å; T105-M107 VanDerWaalsContact C-N 3.34Å; T105-M107 PolarHBondContact O-N 3.23Å; M107-L109 VanDerWaalsContact C-N 3.33Å; M107-L109 PolarHBondContact O-N 2.95Å; M107-F110 PolarHBondContact O-N 2.99Å; M107-C111 WeakPolarHBondContact O-CB 3.48Å; M107-C111 PolarHBondContact O-N 3.18Å; M107-C111 PolarHBondContact O-SG 2.87Å; M107-T153 HydrophobicContact CB-CG2 3.87Å; M107-T153 HydrophobicContact CG-CG2 4.44Å; M107-I154 HydrophobicContact CG-CG1 3.91Å; M107-I154 HydrophobicContact SD-CG1 3.77Å; M107-L157 HydrophobicContact CB-CD1 3.69Å; M107-L157 HydrophobicContact CE-CD1 4.41Å; M107-L157 HydrophobicContact CG-CD1 4.1Å; M107-L157 HydrophobicContact SD-CD1 3.56Å; M107-L157 VanDerWaalsContact SD-CD1 3.56Å
108	I	96.5	Very high	93.8	Very high	77 Å²	77	52 Å²	52	40%	0.395	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-44.9	178.3	-68	169.5	0	0	0	110.5	F104 T105 G106 F110 C111 M112	F104-I108 HydrophobicContact CD1-CD1 3.91Å; F104-I108 HydrophobicContact CE1-CD1 3.46Å; F104-I108 VanDerWaalsContact CE1-CD1 3.46Å; F104-I108 HydrophobicContact CE1-CG1 4.41Å; F104-I108 HydrophobicContact CZ-CD1 3.93Å; F104-I108 WeakPolarHBondContact O-CG1 3.48Å; F104-I108 PolarHBondContact O-N 3.07Å; F104-I108 VanDerWaalsContact O-N 3.11Å; T105-I108 PolarHBondContact O-N 3.4Å; G106-I108 PolarHBondContact O-N 3.41Å; I108-F110 PolarHBondContact O-N 3.34Å; I108-C111 PolarHBondContact O-N 3.35Å; I108-M112 HydrophobicContact CG2-CG 4.33Å; I108-M112 VanDerWaalsContact O-CG 3.31Å; I108-M112 WeakPolarHBondContact O-CG 3.48Å; I108-M112 PolarHBondContact O-N 2.94Å
109	L	97.3	Very high	94.1	Very high	28 Å²	28	47 Å²	47	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-45.2	179.3	-66.1	166.1	0	0	0	111.5	F71 M74 T105 G106 M107 M112 A113	F71-L109 HydrophobicContact CD1-CD2 3.57Å; F71-L109 HydrophobicContact CE1-CD2 4.02Å; M74-L109 HydrophobicContact CB-CD1 3.88Å; T105-L109 HydrophobicContact CG2-CD1 4.08Å; T105-L109 HydrophobicContact CG2-CG 4.48Å; T105-L109 VanDerWaalsContact O-CG 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.45Å; T105-L109 PolarHBondContact O-N 2.92Å; G106-L109 PolarHBondContact O-N 3.49Å; M107-L109 VanDerWaalsContact C-N 3.33Å; M107-L109 PolarHBondContact O-N 2.95Å; L109-M112 PolarHBondContact O-N 3.32Å; L109-A113 WeakPolarHBondContact O-CB 3.48Å; L109-A113 PolarHBondContact O-N 2.88Å
110	F	96.9	Very high	94	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-39.3	176.1	-69.2	-20.1	0	0	0	112.9	A19 I72 G75 I76 L79 G106 M107 I108 A113 A114 F146 I150	A19-F110 HydrophobicContact CB-CE1 4.36Å; A19-F110 HydrophobicContact CB-CE2 4.23Å; A19-F110 HydrophobicContact CB-CZ 3.65Å; I72-F110 HydrophobicContact CG2-CE1 4.46Å; I72-F110 WeakPolarHBondContact O-CE1 3.47Å; G75-F110 VanDerWaalsContact CA-CE1 3.47Å; I76-F110 HydrophobicContact CG1-CE1 4.33Å; I76-F110 HydrophobicContact CG1-CZ 4.2Å; L79-F110 HydrophobicContact CD1-CE2 3.49Å; L79-F110 VanDerWaalsContact CD1-CE2 3.49Å; L79-F110 HydrophobicContact CD1-CZ 3.93Å; L79-F110 HydrophobicContact CG-CE2 4.24Å; G106-F110 PolarHBondContact O-N 2.89Å; M107-F110 PolarHBondContact O-N 2.99Å; I108-F110 PolarHBondContact O-N 3.34Å; F110-A113 PolarHBondContact O-N 2.93Å; F110-A114 WeakPolarHBondContact O-CB 3.14Å; F110-A114 PolarHBondContact O-N 2.97Å; F110-F146 HydrophobicContact CB-CE2 4.13Å; F110-F146 HydrophobicContact CB-CZ 4.04Å; F110-F146 AromaticContact CD1-CE2 3.78Å; F110-F146 HydrophobicContact CD1-CE2 3.78Å; F110-F146 HydrophobicContact CD1-CZ 4.31Å; F110-F146 HydrophobicContact CE1-CE2 4.25Å; F110-F146 AromaticContact CG-CE2 3.99Å; F110-F146 HydrophobicContact CG-CE2 3.99Å; F110-F146 HydrophobicContact CG-CZ 4.38Å; F110-F146 WeakPolarHBondContact O-CZ 3.47Å; F110-I150 HydrophobicContact CB-CD1 4.2Å; F110-I150 HydrophobicContact CB-CG1 3.6Å; F110-I150 HydrophobicContact CD2-CG1 4.36Å; F110-I150 HydrophobicContact CG-CG1 4.37Å
111	C	96.7	Very high	94.1	Very high	46 Å²	46	42.6 Å²	42.6	31%	0.311	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-43.1	174.4	-71.1	0	0	0	0	111.6	M107 I108 A114 L115	M107-C111 WeakPolarHBondContact O-CB 3.48Å; M107-C111 PolarHBondContact O-N 3.18Å; M107-C111 PolarHBondContact O-SG 2.87Å; I108-C111 PolarHBondContact O-N 3.35Å; C111-A114 PolarHBondContact O-N 3.48Å; C111-L115 WeakPolarHBondContact O-CG 3.11Å; C111-L115 PolarHBondContact O-N 3.48Å
112	M	97.1	Very high	93.7	Very high	88 Å²	88	39 Å²	39	43%	0.433	20%	0.2	S	C	.	.	H	α-helix	trans	-62.8	-42.9	175.5	-68.7	-63.7	-84.7	0	0	111.3	F71 I108 L109 A114 L115 I116	F71-M112 HydrophobicContact CD2-CB 4.49Å; I108-M112 HydrophobicContact CG2-CG 4.33Å; I108-M112 VanDerWaalsContact O-CG 3.31Å; I108-M112 WeakPolarHBondContact O-CG 3.48Å; I108-M112 PolarHBondContact O-N 2.94Å; L109-M112 PolarHBondContact O-N 3.32Å; M112-A114 VanDerWaalsContact C-N 3.33Å; M112-A114 PolarHBondContact O-N 3.04Å; M112-L115 PolarHBondContact O-N 3.08Å; M112-I116 WeakPolarHBondContact O-CB 3.45Å; M112-I116 VanDerWaalsContact O-CG1 3.26Å; M112-I116 WeakPolarHBondContact O-CG1 3.36Å; M112-I116 PolarHBondContact O-N 3.28Å
113	A	95.5	Very high	93.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.9	-42.9	174.3	0	0	0	0	0	112.5	T68 F71 I72 L109 F110 L115 I116 F117 F146	T68-A113 HydrophobicContact CG2-CB 4.15Å; F71-A113 HydrophobicContact CB-CB 3.85Å; I72-A113 HydrophobicContact CD1-CB 4.43Å; I72-A113 HydrophobicContact CG1-CB 3.75Å; L109-A113 WeakPolarHBondContact O-CB 3.48Å; L109-A113 PolarHBondContact O-N 2.88Å; F110-A113 PolarHBondContact O-N 2.93Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 3.07Å; A113-I116 PolarHBondContact O-N 3.08Å; A113-F117 WeakPolarHBondContact O-CB 3.29Å; A113-F117 PolarHBondContact O-N 3.36Å; A113-F146 HydrophobicContact CB-CE1 4.31Å; A113-F146 HydrophobicContact CB-CZ 3.81Å
114	A	95.2	Very high	92.5	Very high	20 Å²	20	44.8 Å²	44.8	17%	0.165	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-31.8	177.5	0	0	0	0	0	113.2	F110 C111 M112 P118 F146 I150	F110-A114 WeakPolarHBondContact O-CB 3.14Å; F110-A114 PolarHBondContact O-N 2.97Å; C111-A114 PolarHBondContact O-N 3.48Å; M112-A114 VanDerWaalsContact C-N 3.33Å; M112-A114 PolarHBondContact O-N 3.04Å; A114-P118 WeakPolarHBondContact O-CD 3.5Å; A114-F146 HydrophobicContact CB-CE1 3.98Å; A114-I150 HydrophobicContact CB-CD1 3.72Å
115	L	94.9	Very high	91.7	Very high	101 Å²	101	45 Å²	45	53%	0.529	23%	0.234	S	C	.	.	H	α-helix	trans	-77.4	-38.5	175.5	-69.2	174.8	0	0	0	112.4	C111 M112 A113 P118 Y131	C111-L115 WeakPolarHBondContact O-CG 3.11Å; C111-L115 PolarHBondContact O-N 3.48Å; M112-L115 PolarHBondContact O-N 3.08Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 3.07Å; L115-P118 WeakPolarHBondContact O-CD 3.48Å; L115-Y131 PolarHBondContact O-OH 3.46Å
116	I	93.8	Very high	91	Very high	29 Å²	29	42 Å²	42	15%	0.149	22%	0.216	C	C	.	.	H	α-helix	trans	-75.3	-35.7	-177.3	-66.7	167	0	0	0	111.6	E64 T67 T68 F71 M112 A113 I119	E64-I116 HydrophobicContact CB-CG2 4.18Å; E64-I116 WeakPolarHBondContact O-CG2 3.11Å; T67-I116 WeakPolarHBondContact OG1-CG2 3.4Å; T68-I116 WeakPolarHBondContact OG1-CG2 3.47Å; F71-I116 HydrophobicContact CD2-CD1 3.73Å; F71-I116 HydrophobicContact CE2-CD1 3.42Å; F71-I116 VanDerWaalsContact CE2-CD1 3.42Å; M112-I116 WeakPolarHBondContact O-CB 3.45Å; M112-I116 VanDerWaalsContact O-CG1 3.26Å; M112-I116 WeakPolarHBondContact O-CG1 3.36Å; M112-I116 PolarHBondContact O-N 3.28Å; A113-I116 PolarHBondContact O-N 3.08Å; I116-I119 VanDerWaalsContact O-CB 3.23Å; I116-I119 WeakPolarHBondContact O-CB 3.4Å; I116-I119 PolarHBondContact O-N 3.02Å
117	F	92.9	Very high	90.3	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.009	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.4	-48.7	-174.7	173	-103.1	0	0	0	113.9	W28 I29 L42 W65 T68 A113 I119 G120 F121 Y143	W28-F117 HydrophobicContact CB-CZ 4.18Å; W28-F117 HydrophobicContact CD2-CE2 4.41Å; W28-F117 HydrophobicContact CD2-CZ 4.48Å; W28-F117 HydrophobicContact CE3-CD1 4.47Å; W28-F117 HydrophobicContact CE3-CD2 4.04Å; W28-F117 HydrophobicContact CE3-CE1 4.07Å; W28-F117 AromaticContact CE3-CE2 3.6Å; W28-F117 HydrophobicContact CE3-CE2 3.6Å; W28-F117 HydrophobicContact CE3-CG 4.44Å; W28-F117 AromaticContact CE3-CZ 3.62Å; W28-F117 HydrophobicContact CE3-CZ 3.62Å; W28-F117 HydrophobicContact CZ3-CD2 4.25Å; W28-F117 HydrophobicContact CZ3-CE2 4.28Å; W28-F117 HydrophobicContact CZ3-CG 4.39Å; W28-F117 HydrophobicContact CZ3-CZ 4.44Å; I29-F117 HydrophobicContact CD1-CZ 3.88Å; I29-F117 HydrophobicContact CG1-CZ 3.83Å; L42-F117 HydrophobicContact CD2-CD2 4.25Å; L42-F117 HydrophobicContact CD2-CE2 4.28Å; W65-F117 AromaticContact NE1-CD2 3.95Å; W65-F117 PolarHBondContact NE1-O 3.48Å; W65-F117 VanDerWaalsContact NE1-O 3.15Å; T68-F117 HydrophobicContact CG2-CB 3.83Å; T68-F117 HydrophobicContact CG2-CD2 4.19Å; T68-F117 HydrophobicContact CG2-CG 4.44Å; T68-F117 WeakPolarHBondContact OG1-CA 3.46Å; T68-F117 PolarHBondContact OG1-N 2.9Å; A113-F117 WeakPolarHBondContact O-CB 3.29Å; A113-F117 PolarHBondContact O-N 3.36Å; F117-I119 PolarHBondContact O-N 3.2Å; F117-G120 PolarHBondContact O-N 2.93Å; F117-F121 AromaticContact CD1-CE1 3.96Å; F117-F121 HydrophobicContact CD1-CE1 3.96Å; F117-F121 HydrophobicContact CD1-CZ 4.13Å; F117-F121 AromaticContact CE1-CE1 3.54Å; F117-F121 HydrophobicContact CE1-CE1 3.54Å; F117-F121 AromaticContact CE1-CZ 3.79Å; F117-F121 HydrophobicContact CE1-CZ 3.79Å; F117-F121 AromaticContact CZ-CE1 3.94Å; F117-F121 HydrophobicContact CZ-CE1 3.94Å; F117-Y143 AromaticContact CD1-CD2 3.74Å; F117-Y143 HydrophobicContact CD1-CD2 3.74Å; F117-Y143 AromaticContact CD1-CE2 3.52Å; F117-Y143 HydrophobicContact CD1-CE2 3.52Å; F117-Y143 AromaticContact CE1-CD2 3.59Å; F117-Y143 HydrophobicContact CE1-CD2 3.59Å; F117-Y143 AromaticContact CE1-CE2 3.82Å; F117-Y143 HydrophobicContact CE1-CE2 3.82Å; F117-Y143 HydrophobicContact CE1-CG 4.36Å; F117-Y143 HydrophobicContact CG-CE2 4.49Å; F117-Y143 HydrophobicContact CZ-CD2 4.46Å
118	P	91.8	Very high	89.8	Confident	13 Å²	13	43.5 Å²	43.5	8%	0.084	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-67.5	-17.3	177.8	-20.5	33.8	0	0	0	114.4	A114 L115 G120 F121 Y131	A114-P118 WeakPolarHBondContact O-CD 3.5Å; L115-P118 WeakPolarHBondContact O-CD 3.48Å; P118-G120 PolarHBondContact O-N 3.41Å; P118-F121 HydrophobicContact CB-CD2 4.13Å; P118-F121 HydrophobicContact CB-CE1 4.47Å; P118-F121 HydrophobicContact CB-CE2 3.72Å; P118-F121 HydrophobicContact CB-CZ 3.92Å; P118-F121 HydrophobicContact CG-CE2 4.49Å; P118-F121 HydrophobicContact CG-CZ 4.34Å; P118-F121 WeakPolarHBondContact O-CB 3.1Å; P118-F121 VanDerWaalsContact O-CG 3.31Å; P118-F121 WeakPolarHBondContact O-CG 3.45Å; P118-F121 PolarHBondContact O-N 2.88Å; P118-Y131 HydrophobicContact CB-CD1 3.66Å; P118-Y131 HydrophobicContact CB-CE1 4.15Å; P118-Y131 HydrophobicContact CB-CG 4.21Å; P118-Y131 HydrophobicContact CG-CD1 4.28Å; P118-Y131 PolarHBondContact O-N 3.11Å
119	I	91.7	Very high	89.4	Confident	55 Å²	55	45.8 Å²	45.8	28%	0.282	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-61.1	-40.3	174.4	-57.1	177.7	0	0	0	109.2	E64 I116 F117 F121 Y122 Y131	E64-I119 HydrophobicContact CG-CB 4.47Å; E64-I119 HydrophobicContact CG-CG2 4.12Å; I116-I119 VanDerWaalsContact O-CB 3.23Å; I116-I119 WeakPolarHBondContact O-CB 3.4Å; I116-I119 PolarHBondContact O-N 3.02Å; F117-I119 PolarHBondContact O-N 3.2Å; I119-F121 PolarHBondContact O-N 3.26Å; I119-F121 VanDerWaalsContact O-N 3.1Å; I119-Y122 WeakPolarHBondContact O-CD1 3.49Å; I119-Y131 HydrophobicContact CG1-CE1 4.44Å; I119-Y131 HydrophobicContact CG1-CE2 3.76Å; I119-Y131 WeakPolarHBondContact CG1-OH 3.32Å
120	G	87.6	Confident	88.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-73.3	6.4	-178.5	0	0	0	0	0	115.8	F117 P118 Y122 I123	F117-G120 PolarHBondContact O-N 2.93Å; P118-G120 PolarHBondContact O-N 3.41Å; G120-Y122 PolarHBondContact O-N 3.35Å; G120-I123 PolarHBondContact O-N 3.12Å
121	F	89.5	Confident	88.6	Confident	10 Å²	10	54.3 Å²	54.3	4%	0.044	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-68.3	-10.3	178.3	-68.8	-6.5	0	0	0	114.2	I29 W65 F117 P118 I119 I123 V126 G128 Q129 L133	I29-F121 HydrophobicContact CD1-CD1 3.94Å; I29-F121 HydrophobicContact CD1-CE1 3.68Å; I29-F121 HydrophobicContact CG1-CE1 4.49Å; W65-F121 HydrophobicContact CZ2-CD1 4.49Å; F117-F121 AromaticContact CD1-CE1 3.96Å; F117-F121 HydrophobicContact CD1-CE1 3.96Å; F117-F121 HydrophobicContact CD1-CZ 4.13Å; F117-F121 AromaticContact CE1-CE1 3.54Å; F117-F121 HydrophobicContact CE1-CE1 3.54Å; F117-F121 AromaticContact CE1-CZ 3.79Å; F117-F121 HydrophobicContact CE1-CZ 3.79Å; F117-F121 AromaticContact CZ-CE1 3.94Å; F117-F121 HydrophobicContact CZ-CE1 3.94Å; P118-F121 HydrophobicContact CB-CD2 4.13Å; P118-F121 HydrophobicContact CB-CE1 4.47Å; P118-F121 HydrophobicContact CB-CE2 3.72Å; P118-F121 HydrophobicContact CB-CZ 3.92Å; P118-F121 HydrophobicContact CG-CE2 4.49Å; P118-F121 HydrophobicContact CG-CZ 4.34Å; P118-F121 WeakPolarHBondContact O-CB 3.1Å; P118-F121 VanDerWaalsContact O-CG 3.31Å; P118-F121 WeakPolarHBondContact O-CG 3.45Å; P118-F121 PolarHBondContact O-N 2.88Å; I119-F121 PolarHBondContact O-N 3.26Å; I119-F121 VanDerWaalsContact O-N 3.1Å; F121-I123 PolarHBondContact O-N 3.08Å; F121-V126 HydrophobicContact CB-CG1 4.45Å; F121-G128 CarbonylContact O-C 3.47Å; F121-G128 WeakPolarHBondContact O-CA 3.04Å; F121-G128 PolarHBondContact O-N 3.46Å; F121-Q129 WeakPolarHBondContact CB-O 3.33Å; F121-L133 HydrophobicContact CB-CD2 4.49Å; F121-L133 HydrophobicContact CD1-CD2 4.14Å; F121-L133 HydrophobicContact CD2-CD2 3.73Å; F121-L133 HydrophobicContact CD2-CG 3.75Å; F121-L133 HydrophobicContact CE1-CD2 4.27Å; F121-L133 HydrophobicContact CE2-CD1 4.16Å; F121-L133 HydrophobicContact CE2-CD2 3.88Å; F121-L133 HydrophobicContact CE2-CG 3.62Å; F121-L133 HydrophobicContact CG-CD2 3.87Å; F121-L133 HydrophobicContact CG-CG 4.41Å; F121-L133 HydrophobicContact CZ-CD1 4.36Å; F121-L133 HydrophobicContact CZ-CD2 4.14Å; F121-L133 HydrophobicContact CZ-CG 4.17Å
122	Y	83.8	Confident	88.2	Confident	103 Å²	103	58.3 Å²	58.3	40%	0.404	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-72.6	-11.5	177.2	72.3	-99	0	0	0	114.3	E64 I119 G120 G128 P130	E64-Y122 VanDerWaalsContact CD-OH 3.24Å; E64-Y122 WeakPolarHBondContact OE1-CE1 3.31Å; E64-Y122 PolarHBondContact OE1-OH 3.31Å; E64-Y122 PolarHBondContact OE2-OH 2.87Å; I119-Y122 WeakPolarHBondContact O-CD1 3.49Å; G120-Y122 PolarHBondContact O-N 3.35Å; Y122-G128 WeakPolarHBondContact CA-O 3.48Å; Y122-P130 HydrophobicContact CD1-CG 4.41Å
123	I	83	Confident	87.7	Confident	18 Å²	18	55.9 Å²	55.9	9%	0.092	29%	0.291	C	S	.	.	S	Bend	trans	-63.7	149.9	-176.7	66	171.7	0	0	0	111.9	P62 W65 G120 F121 E125 V126 G127	P62-I123 HydrophobicContact CB-CG2 3.75Å; P62-I123 HydrophobicContact CG-CD1 4.47Å; P62-I123 HydrophobicContact CG-CG2 3.69Å; W65-I123 HydrophobicContact CE3-CD1 4.03Å; W65-I123 HydrophobicContact CH2-CD1 3.14Å; W65-I123 HydrophobicContact CH2-CG1 4.02Å; W65-I123 HydrophobicContact CZ2-CD1 3.78Å; W65-I123 HydrophobicContact CZ2-CG1 4.3Å; W65-I123 HydrophobicContact CZ3-CD1 3.27Å; G120-I123 PolarHBondContact O-N 3.12Å; F121-I123 PolarHBondContact O-N 3.08Å; I123-E125 WeakPolarHBondContact CB-OE2 3.49Å; I123-E125 HydrophobicContact CD1-CB 4.27Å; I123-E125 WeakPolarHBondContact CD1-OE2 3.31Å; I123-E125 HydrophobicContact CG1-CB 4.48Å; I123-E125 PolarHBondContact O-N 3.27Å; I123-E125 VanDerWaalsContact O-N 3.16Å; I123-V126 HydrophobicContact CD1-CG2 4.14Å; I123-V126 HydrophobicContact CG1-CB 4.12Å; I123-V126 HydrophobicContact CG1-CG2 3.82Å; I123-V126 PolarHBondContact O-N 3.01Å; I123-G127 PolarHBondContact O-N 3.26Å
124	N	78.1	Confident	87.3	Confident	156 Å²	156	57.4 Å²	57.4	83%	0.834	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.7	-172.4	-65.7	-40.7	0	0	0	113.2	V126	N124-V126 VanDerWaalsContact C-N 3.28Å; N124-V126 PolarHBondContact O-N 3.15Å
125	E	76.4	Confident	86.7	Confident	92 Å²	92	64.6 Å²	64.6	43%	0.43	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-30.5	178.6	-62.8	76.1	-170	0	0	112.4	I123	I123-E125 WeakPolarHBondContact CB-OE2 3.49Å; I123-E125 HydrophobicContact CD1-CB 4.27Å; I123-E125 WeakPolarHBondContact CD1-OE2 3.31Å; I123-E125 HydrophobicContact CG1-CB 4.48Å; I123-E125 PolarHBondContact O-N 3.27Å; I123-E125 VanDerWaalsContact O-N 3.16Å
126	V	80.9	Confident	86.1	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.042	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-39	177.4	178.6	0	0	0	0	110.3	I29 W65 F121 I123 N124 G128 L133 P134 T137	I29-V126 HydrophobicContact CD1-CG2 3.92Å; I29-V126 HydrophobicContact CG2-CG2 4.48Å; W65-V126 HydrophobicContact CH2-CG2 3.82Å; W65-V126 HydrophobicContact CZ2-CG2 4.19Å; F121-V126 HydrophobicContact CB-CG1 4.45Å; I123-V126 HydrophobicContact CD1-CG2 4.14Å; I123-V126 HydrophobicContact CG1-CB 4.12Å; I123-V126 HydrophobicContact CG1-CG2 3.82Å; I123-V126 PolarHBondContact O-N 3.01Å; N124-V126 VanDerWaalsContact C-N 3.28Å; N124-V126 PolarHBondContact O-N 3.15Å; V126-G128 VanDerWaalsContact C-N 3.28Å; V126-G128 PolarHBondContact O-N 3.42Å; V126-L133 HydrophobicContact CG1-CD2 3.56Å; V126-P134 VanDerWaalsContact O-CG 3.26Å; V126-P134 WeakPolarHBondContact O-CG 3.47Å; V126-T137 HydrophobicContact CG1-CG2 4.39Å
127	G	80.8	Confident	85.6	Confident	53 Å²	53	63.7 Å²	63.7	55%	0.546	33%	0.332	S	S	.	.			trans	69.5	22.2	179.2	0	0	0	0	0	114.1	I123	I123-G127 PolarHBondContact O-N 3.26Å
128	G	85.6	Confident	85.4	Confident	16 Å²	16	67.7 Å²	67.7	17%	0.165	36%	0.357	C	S	.	.			trans	-93.1	-168	-178.4	0	0	0	0	0	114.2	F121 Y122 V126	F121-G128 CarbonylContact O-C 3.47Å; F121-G128 WeakPolarHBondContact O-CA 3.04Å; F121-G128 PolarHBondContact O-N 3.46Å; Y122-G128 WeakPolarHBondContact CA-O 3.48Å; V126-G128 VanDerWaalsContact C-N 3.28Å; V126-G128 PolarHBondContact O-N 3.42Å
129	Q	87.6	Confident	85.3	Confident	125 Å²	125	70 Å²	70	58%	0.584	37%	0.371	S	S	*	.	B	Isolated β-bridge	trans	-115.4	158.7	165.5	-69.8	-179.7	-20.5	0	0	108.4	F121 Y131 K132	F121-Q129 WeakPolarHBondContact CB-O 3.33Å; Q129-Y131 PolarHBondContact O-N 3.23Å; Q129-K132 HydrophobicContact CB-CB 4.35Å; Q129-K132 PolarHBondContact N-O 3.29Å; Q129-K132 CarbonylContact O-C 3.03Å; Q129-K132 PolarHBondContact O-N 3.2Å
130	P	88.1	Confident	85.2	Confident	68 Å²	68	67.7 Å²	67.7	44%	0.442	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	129.8	173.4	-26.5	35.7	0	0	0	110.8	Y122 K132	Y122-P130 HydrophobicContact CD1-CG 4.41Å; P130-K132 PolarHBondContact O-N 3.45Å
131	Y	89.1	Confident	85.4	Confident	138 Å²	138	70.6 Å²	70.6	54%	0.541	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	2.6	-175.8	-56.4	-87.9	0	0	0	116.8	L115 P118 I119 Q129	L115-Y131 PolarHBondContact O-OH 3.46Å; P118-Y131 HydrophobicContact CB-CD1 3.66Å; P118-Y131 HydrophobicContact CB-CE1 4.15Å; P118-Y131 HydrophobicContact CB-CG 4.21Å; P118-Y131 HydrophobicContact CG-CD1 4.28Å; P118-Y131 PolarHBondContact O-N 3.11Å; I119-Y131 HydrophobicContact CG1-CE1 4.44Å; I119-Y131 HydrophobicContact CG1-CE2 3.76Å; I119-Y131 WeakPolarHBondContact CG1-OH 3.32Å; Q129-Y131 PolarHBondContact O-N 3.23Å
132	K	88.7	Confident	85.6	Confident	131 Å²	131	70.1 Å²	70.1	57%	0.57	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-135.1	112	-178.4	-173.6	178.5	179.1	-178.2	0	112	Q129 P130	Q129-K132 HydrophobicContact CB-CB 4.35Å; Q129-K132 PolarHBondContact N-O 3.29Å; Q129-K132 CarbonylContact O-C 3.03Å; Q129-K132 PolarHBondContact O-N 3.2Å; P130-K132 PolarHBondContact O-N 3.45Å
133	L	87.6	Confident	86	Confident	36 Å²	36	67.4 Å²	67.4	19%	0.188	37%	0.368	C	S	.	.			trans	-74.1	148.7	170.9	-71.1	170.5	0	0	0	111.1	I29 F121 V126 T137 V139	I29-L133 HydrophobicContact CG2-CD2 4.36Å; F121-L133 HydrophobicContact CB-CD2 4.49Å; F121-L133 HydrophobicContact CD1-CD2 4.14Å; F121-L133 HydrophobicContact CD2-CD2 3.73Å; F121-L133 HydrophobicContact CD2-CG 3.75Å; F121-L133 HydrophobicContact CE1-CD2 4.27Å; F121-L133 HydrophobicContact CE2-CD1 4.16Å; F121-L133 HydrophobicContact CE2-CD2 3.88Å; F121-L133 HydrophobicContact CE2-CG 3.62Å; F121-L133 HydrophobicContact CG-CD2 3.87Å; F121-L133 HydrophobicContact CG-CG 4.41Å; F121-L133 HydrophobicContact CZ-CD1 4.36Å; F121-L133 HydrophobicContact CZ-CD2 4.14Å; F121-L133 HydrophobicContact CZ-CG 4.17Å; V126-L133 HydrophobicContact CG1-CD2 3.56Å; L133-T137 HydrophobicContact CD2-CG2 3.89Å; L133-V139 HydrophobicContact CD1-CG1 3.71Å
134	P	85.8	Confident	86.5	Confident	33 Å²	33	70.1 Å²	70.1	21%	0.214	39%	0.385	C	S	.	.			trans	-71.6	157.2	170.4	29.2	-30.6	0	0	0	111.1	V126 N136 T137	V126-P134 VanDerWaalsContact O-CG 3.26Å; V126-P134 WeakPolarHBondContact O-CG 3.47Å; P134-N136 WeakPolarHBondContact CB-OD1 3.4Å; P134-N136 WeakPolarHBondContact CG-OD1 3.4Å; P134-N136 PolarHBondContact O-N 2.93Å; P134-T137 PolarHBondContact O-N 3.02Å
135	N	84.1	Confident	87.4	Confident	170 Å²	170	64.5 Å²	64.5	91%	0.909	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.4	-171	-68.4	-12.8	0	0	0	115.1
136	N	81.8	Confident	88.3	Confident	103 Å²	103	60.1 Å²	60.1	55%	0.551	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	2.9	178.8	64.6	-19.1	0	0	0	113.1	T31 P134	T31-N136 CarbonylContact C-O 3.4Å; P134-N136 WeakPolarHBondContact CB-OD1 3.4Å; P134-N136 WeakPolarHBondContact CG-OD1 3.4Å; P134-N136 PolarHBondContact O-N 2.93Å
137	T	83.9	Confident	89.1	Confident	8 Å²	8	62.9 Å²	62.9	5%	0.049	35%	0.351	C	S	.	.			trans	-125.6	133.5	-176.9	-59.4	0	0	0	0	109.9	I29 N30 T31 V126 L133 P134	I29-T137 HydrophobicContact CG2-CG2 3.22Å; N30-T137 WeakPolarHBondContact O-CA 3.5Å; T31-T137 HydrophobicContact CG2-CG2 3.75Å; V126-T137 HydrophobicContact CG1-CG2 4.39Å; L133-T137 HydrophobicContact CD2-CG2 3.89Å; P134-T137 PolarHBondContact O-N 3.02Å
138	V	88.9	Confident	89.8	Confident	86 Å²	86	63.5 Å²	63.5	52%	0.521	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155	-179.3	-62.5	0	0	0	0	110.6	N30	N30-V138 HydrophobicContact CB-CG2 4.1Å; N30-V138 PolarHBondContact N-O 3.12Å; N30-V138 PolarHBondContact O-N 3.03Å
139	V	89.6	Confident	90.4	Very high	63 Å²	63	62.7 Å²	62.7	38%	0.382	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	136.5	168.6	-67.7	0	0	0	0	109.4	L133 Y143	L133-V139 HydrophobicContact CD1-CG1 3.71Å; V139-Y143 HydrophobicContact CB-CD1 3.94Å; V139-Y143 HydrophobicContact CB-CG 4.42Å; V139-Y143 HydrophobicContact CG1-CD1 3.94Å; V139-Y143 HydrophobicContact CG1-CE1 4.34Å; V139-Y143 HydrophobicContact CG1-CG 4.45Å; V139-Y143 HydrophobicContact CG2-CD1 4.32Å
140	G	89.7	Confident	90.8	Very high	6 Å²	6	57.7 Å²	57.7	6%	0.062	31%	0.311	C	S	.	.			trans	-87.7	176.9	178.9	0	0	0	0	0	113	D27 W28 S142 Y143	D27-G140 CarbonylContact O-C 3.56Å; D27-G140 WeakPolarHBondContact O-CA 3.36Å; W28-G140 PolarHBondContact O-N 3.39Å; G140-S142 VanDerWaalsContact C-N 3.3Å; G140-S142 PolarHBondContact O-N 3.46Å; G140-Y143 PolarHBondContact O-N 2.98Å
141	S	90.9	Very high	91.3	Very high	60 Å²	60	60.1 Å²	60.1	42%	0.42	31%	0.314	S	S	.	.	H	α-helix	trans	-61.5	-33.1	-177.5	58.1	0	0	0	0	113.7	D27 Y143 V144 L145	D27-S141 PolarHBondContact O-N 3.43Å; D27-S141 VanDerWaalsContact O-N 3.15Å; D27-S141 WeakPolarHBondContact OD2-CB 3.36Å; D27-S141 PolarHBondContact OD2-N 3.03Å; D27-S141 PolarHBondContact OD2-OG 3.3Å; S141-Y143 VanDerWaalsContact C-N 3.33Å; S141-Y143 PolarHBondContact O-N 3.2Å; S141-V144 WeakPolarHBondContact O-CB 3.46Å; S141-V144 PolarHBondContact O-N 3.13Å; S141-L145 WeakPolarHBondContact O-CG 3.38Å; S141-L145 PolarHBondContact O-N 3.48Å
142	S	92.9	Very high	91.6	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-40.2	178.1	-63.2	0	0	0	0	112.2	S22 N25 D27 G140 V144 L145 F146	S22-S142 WeakPolarHBondContact CB-O 3.26Å; S22-S142 VanDerWaalsContact O-CB 3.29Å; S22-S142 WeakPolarHBondContact O-CB 3.48Å; S22-S142 PolarHBondContact O-OG 2.68Å; N25-S142 VanDerWaalsContact C-OG 3.31Å; N25-S142 WeakPolarHBondContact CB-OG 3.4Å; N25-S142 PolarHBondContact O-OG 3.34Å; D27-S142 PolarHBondContact N-OG 2.8Å; D27-S142 WeakPolarHBondContact O-CB 3.42Å; D27-S142 PolarHBondContact O-N 2.9Å; D27-S142 PolarHBondContact O-OG 2.86Å; G140-S142 VanDerWaalsContact C-N 3.3Å; G140-S142 PolarHBondContact O-N 3.46Å; S142-V144 VanDerWaalsContact C-N 3.3Å; S142-V144 PolarHBondContact O-N 3.3Å; S142-L145 PolarHBondContact O-N 3.22Å; S142-F146 PolarHBondContact O-N 3.31Å
143	Y	92.5	Very high	92	Very high	46 Å²	46	49.8 Å²	49.8	18%	0.18	27%	0.272	C	S	.	.	H	α-helix	trans	-64.9	-38.5	177.2	-177	-104.5	0	0	0	111.1	W28 F117 V139 G140 S141 F146 V147	W28-Y143 AromaticContact CE3-CD2 3.93Å; W28-Y143 HydrophobicContact CE3-CD2 3.93Å; W28-Y143 AromaticContact CZ3-CD2 3.82Å; W28-Y143 HydrophobicContact CZ3-CD2 3.82Å; F117-Y143 AromaticContact CD1-CD2 3.74Å; F117-Y143 HydrophobicContact CD1-CD2 3.74Å; F117-Y143 AromaticContact CD1-CE2 3.52Å; F117-Y143 HydrophobicContact CD1-CE2 3.52Å; F117-Y143 AromaticContact CE1-CD2 3.59Å; F117-Y143 HydrophobicContact CE1-CD2 3.59Å; F117-Y143 AromaticContact CE1-CE2 3.82Å; F117-Y143 HydrophobicContact CE1-CE2 3.82Å; F117-Y143 HydrophobicContact CE1-CG 4.36Å; F117-Y143 HydrophobicContact CG-CE2 4.49Å; F117-Y143 HydrophobicContact CZ-CD2 4.46Å; V139-Y143 HydrophobicContact CB-CD1 3.94Å; V139-Y143 HydrophobicContact CB-CG 4.42Å; V139-Y143 HydrophobicContact CG1-CD1 3.94Å; V139-Y143 HydrophobicContact CG1-CE1 4.34Å; V139-Y143 HydrophobicContact CG1-CG 4.45Å; V139-Y143 HydrophobicContact CG2-CD1 4.32Å; G140-Y143 PolarHBondContact O-N 2.98Å; S141-Y143 VanDerWaalsContact C-N 3.33Å; S141-Y143 PolarHBondContact O-N 3.2Å; Y143-F146 PolarHBondContact O-N 2.93Å; Y143-V147 HydrophobicContact CD1-CG2 4.21Å; Y143-V147 HydrophobicContact CE1-CG2 3.79Å; Y143-V147 HydrophobicContact CE2-CG2 4.46Å; Y143-V147 WeakPolarHBondContact O-CG2 3.46Å; Y143-V147 PolarHBondContact O-N 3.27Å
144	V	94.6	Very high	92.3	Very high	75 Å²	75	51.1 Å²	51.1	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-44.7	174.9	-179	0	0	0	0	111.1	S141 S142 F146 V147 L148	S141-V144 WeakPolarHBondContact O-CB 3.46Å; S141-V144 PolarHBondContact O-N 3.13Å; S142-V144 VanDerWaalsContact C-N 3.3Å; S142-V144 PolarHBondContact O-N 3.3Å; V144-F146 VanDerWaalsContact C-N 3.28Å; V144-F146 PolarHBondContact O-N 3.31Å; V144-V147 PolarHBondContact O-N 2.9Å; V144-L148 HydrophobicContact CG1-CD1 4.37Å; V144-L148 WeakPolarHBondContact O-CG 3.23Å; V144-L148 PolarHBondContact O-N 2.97Å
145	L	95.4	Very high	92.7	Very high	39 Å²	39	51.1 Å²	51.1	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-40.6	175.2	-67.6	173.8	0	0	0	111.7	F18 A21 S141 S142 L148 S149	F18-L145 WeakPolarHBondContact CB-O 3.23Å; F18-L145 HydrophobicContact CD1-CD2 3.89Å; F18-L145 HydrophobicContact CE1-CD2 4.36Å; A21-L145 HydrophobicContact CB-CD1 4.05Å; S141-L145 WeakPolarHBondContact O-CG 3.38Å; S141-L145 PolarHBondContact O-N 3.48Å; S142-L145 PolarHBondContact O-N 3.22Å; L145-L148 WeakPolarHBondContact O-CB 3.41Å; L145-L148 PolarHBondContact O-N 3.38Å; L145-S149 PolarHBondContact O-N 3.44Å
146	F	96.8	Very high	93.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-40.2	176.2	179.5	-117.2	0	0	0	113.1	W28 I72 F110 A113 A114 S142 Y143 V144 L148 S149 I150	W28-F146 HydrophobicContact CH2-CB 3.71Å; W28-F146 AromaticContact CH2-CD1 3.79Å; W28-F146 HydrophobicContact CH2-CD1 3.79Å; W28-F146 HydrophobicContact CH2-CD2 4.31Å; W28-F146 AromaticContact CH2-CG 3.66Å; W28-F146 HydrophobicContact CH2-CG 3.66Å; W28-F146 HydrophobicContact CZ2-CB 4.27Å; W28-F146 HydrophobicContact CZ3-CB 4.36Å; W28-F146 HydrophobicContact CZ3-CD1 4.04Å; W28-F146 HydrophobicContact CZ3-CG 4.33Å; I72-F146 HydrophobicContact CD1-CD2 4.28Å; I72-F146 HydrophobicContact CD1-CE1 4.46Å; I72-F146 HydrophobicContact CD1-CE2 4.05Å; I72-F146 HydrophobicContact CD1-CZ 4.14Å; I72-F146 HydrophobicContact CG1-CD2 4.31Å; I72-F146 HydrophobicContact CG1-CE2 3.66Å; I72-F146 HydrophobicContact CG1-CZ 3.82Å; I72-F146 HydrophobicContact CG2-CE2 4.45Å; F110-F146 HydrophobicContact CB-CE2 4.13Å; F110-F146 HydrophobicContact CB-CZ 4.04Å; F110-F146 AromaticContact CD1-CE2 3.78Å; F110-F146 HydrophobicContact CD1-CE2 3.78Å; F110-F146 HydrophobicContact CD1-CZ 4.31Å; F110-F146 HydrophobicContact CE1-CE2 4.25Å; F110-F146 AromaticContact CG-CE2 3.99Å; F110-F146 HydrophobicContact CG-CE2 3.99Å; F110-F146 HydrophobicContact CG-CZ 4.38Å; F110-F146 WeakPolarHBondContact O-CZ 3.47Å; A113-F146 HydrophobicContact CB-CE1 4.31Å; A113-F146 HydrophobicContact CB-CZ 3.81Å; A114-F146 HydrophobicContact CB-CE1 3.98Å; S142-F146 PolarHBondContact O-N 3.31Å; Y143-F146 PolarHBondContact O-N 2.93Å; V144-F146 VanDerWaalsContact C-N 3.28Å; V144-F146 PolarHBondContact O-N 3.31Å; F146-L148 VanDerWaalsContact C-N 3.3Å; F146-L148 PolarHBondContact O-N 3.34Å; F146-S149 PolarHBondContact O-N 2.89Å; F146-S149 PolarHBondContact O-OG 2.89Å; F146-I150 HydrophobicContact CD1-CD1 4.28Å; F146-I150 HydrophobicContact CE1-CD1 3.76Å; F146-I150 HydrophobicContact CE2-CD1 4.46Å; F146-I150 HydrophobicContact CZ-CD1 3.84Å; F146-I150 HydrophobicContact CZ-CG1 4.32Å; F146-I150 PolarHBondContact O-N 2.86Å; F146-I150 VanDerWaalsContact O-N 3.12Å
147	V	96.3	Very high	93.6	Very high	64 Å²	64	39.2 Å²	39.2	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-64	-38.8	173.8	173	0	0	0	0	110.8	Y143 V144 S149 I150 F151	Y143-V147 HydrophobicContact CD1-CG2 4.21Å; Y143-V147 HydrophobicContact CE1-CG2 3.79Å; Y143-V147 HydrophobicContact CE2-CG2 4.46Å; Y143-V147 WeakPolarHBondContact O-CG2 3.46Å; Y143-V147 PolarHBondContact O-N 3.27Å; V144-V147 PolarHBondContact O-N 2.9Å; V147-S149 VanDerWaalsContact C-N 3.35Å; V147-S149 PolarHBondContact O-N 2.92Å; V147-I150 WeakPolarHBondContact O-CB 3.26Å; V147-I150 PolarHBondContact O-N 3.05Å; V147-F151 PolarHBondContact O-N 3.31Å
148	L	96.7	Very high	93.9	Very high	66 Å²	66	42.4 Å²	42.4	35%	0.346	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-39.2	173.4	-70.7	174.4	0	0	0	111.8	F18 V144 L145 F146 I150 F151 F152	F18-L148 HydrophobicContact CD2-CB 4.35Å; V144-L148 HydrophobicContact CG1-CD1 4.37Å; V144-L148 WeakPolarHBondContact O-CG 3.23Å; V144-L148 PolarHBondContact O-N 2.97Å; L145-L148 WeakPolarHBondContact O-CB 3.41Å; L145-L148 PolarHBondContact O-N 3.38Å; F146-L148 VanDerWaalsContact C-N 3.3Å; F146-L148 PolarHBondContact O-N 3.34Å; L148-I150 VanDerWaalsContact C-N 3.33Å; L148-I150 PolarHBondContact O-N 3.12Å; L148-F151 PolarHBondContact O-N 2.86Å; L148-F152 HydrophobicContact CB-CD2 4.4Å; L148-F152 HydrophobicContact CB-CE2 4.38Å; L148-F152 WeakPolarHBondContact O-CD2 3.31Å; L148-F152 PolarHBondContact O-N 3.27Å
149	S	97.4	Very high	93.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-39.3	175.8	66.1	0	0	0	0	112.4	A15 L145 F146 V147 T153	A15-S149 WeakPolarHBondContact CB-O 3.43Å; A15-S149 WeakPolarHBondContact O-CB 3.3Å; L145-S149 PolarHBondContact O-N 3.44Å; F146-S149 PolarHBondContact O-N 2.89Å; F146-S149 PolarHBondContact O-OG 2.89Å; V147-S149 VanDerWaalsContact C-N 3.35Å; V147-S149 PolarHBondContact O-N 2.92Å; S149-T153 WeakPolarHBondContact O-CB 3.49Å; S149-T153 PolarHBondContact O-N 3.05Å; S149-T153 PolarHBondContact O-OG1 3.47Å
150	I	96.9	Very high	93.6	Very high	20 Å²	20	39.1 Å²	39.1	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-50.4	172.7	-68.6	165.3	0	0	0	110.4	F110 A114 F146 V147 L148 F152 T153 I154	F110-I150 HydrophobicContact CB-CD1 4.2Å; F110-I150 HydrophobicContact CB-CG1 3.6Å; F110-I150 HydrophobicContact CD2-CG1 4.36Å; F110-I150 HydrophobicContact CG-CG1 4.37Å; A114-I150 HydrophobicContact CB-CD1 3.72Å; F146-I150 HydrophobicContact CD1-CD1 4.28Å; F146-I150 HydrophobicContact CE1-CD1 3.76Å; F146-I150 HydrophobicContact CE2-CD1 4.46Å; F146-I150 HydrophobicContact CZ-CD1 3.84Å; F146-I150 HydrophobicContact CZ-CG1 4.32Å; F146-I150 PolarHBondContact O-N 2.86Å; F146-I150 VanDerWaalsContact O-N 3.12Å; V147-I150 WeakPolarHBondContact O-CB 3.26Å; V147-I150 PolarHBondContact O-N 3.05Å; L148-I150 VanDerWaalsContact C-N 3.33Å; L148-I150 PolarHBondContact O-N 3.12Å; I150-F152 PolarHBondContact O-N 3.31Å; I150-T153 WeakPolarHBondContact O-CB 3.46Å; I150-T153 PolarHBondContact O-N 3.16Å; I150-I154 HydrophobicContact CG2-CD1 3.71Å; I150-I154 HydrophobicContact CG2-CG1 4.4Å; I150-I154 WeakPolarHBondContact O-CG1 3.46Å; I150-I154 PolarHBondContact O-N 3.21Å
151	F	97.2	Very high	93	Very high	118 Å²	118	39.5 Å²	39.5	52%	0.518	21%	0.21	S	C	.	.	H	α-helix	trans	-56.9	-50.6	-179.6	177.2	-99.3	0	0	0	111.7	V147 L148 T153 I154 V155	V147-F151 PolarHBondContact O-N 3.31Å; L148-F151 PolarHBondContact O-N 2.86Å; F151-T153 VanDerWaalsContact C-N 3.3Å; F151-T153 PolarHBondContact O-N 3.43Å; F151-I154 PolarHBondContact O-N 3.42Å; F151-V155 HydrophobicContact CD1-CG2 4.3Å; F151-V155 HydrophobicContact CD2-CG2 4.38Å; F151-V155 HydrophobicContact CE1-CG2 3.91Å; F151-V155 HydrophobicContact CE2-CG2 3.99Å; F151-V155 HydrophobicContact CZ-CG2 3.74Å; F151-V155 WeakPolarHBondContact O-CG2 3.26Å; F151-V155 PolarHBondContact O-N 2.66Å
152	F	96.8	Very high	92	Very high	52 Å²	52	41.2 Å²	41.2	23%	0.228	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-34.8	178.6	-77.2	-61.6	0	0	0	112.9	L11 A15 F18 L148 I150 G156	L11-F152 HydrophobicContact CD2-CD1 3.56Å; L11-F152 HydrophobicContact CD2-CE1 3.97Å; A15-F152 HydrophobicContact CB-CB 3.81Å; F18-F152 AromaticContact CD2-CD2 3.66Å; F18-F152 HydrophobicContact CD2-CD2 3.66Å; F18-F152 AromaticContact CD2-CE2 3.86Å; F18-F152 HydrophobicContact CD2-CE2 3.86Å; F18-F152 AromaticContact CE2-CD2 3.59Å; F18-F152 HydrophobicContact CE2-CD2 3.59Å; F18-F152 AromaticContact CE2-CE2 3.32Å; F18-F152 HydrophobicContact CE2-CE2 3.32Å; F18-F152 HydrophobicContact CE2-CZ 4.26Å; F18-F152 HydrophobicContact CZ-CE2 4.35Å; L148-F152 HydrophobicContact CB-CD2 4.4Å; L148-F152 HydrophobicContact CB-CE2 4.38Å; L148-F152 WeakPolarHBondContact O-CD2 3.31Å; L148-F152 PolarHBondContact O-N 3.27Å; I150-F152 PolarHBondContact O-N 3.31Å; F152-G156 PolarHBondContact O-N 3.19Å
153	T	95.8	Very high	90.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-46.1	174	-57.7	0	0	0	0	111.4	F12 A15 L79 M107 S149 I150 F151 G156 L157	F12-T153 HydrophobicContact CE1-CG2 4.32Å; F12-T153 WeakPolarHBondContact CE1-O 3.37Å; A15-T153 WeakPolarHBondContact CB-OG1 3.37Å; L79-T153 HydrophobicContact CD2-CG2 4.03Å; M107-T153 HydrophobicContact CB-CG2 3.87Å; M107-T153 HydrophobicContact CG-CG2 4.44Å; S149-T153 WeakPolarHBondContact O-CB 3.49Å; S149-T153 PolarHBondContact O-N 3.05Å; S149-T153 PolarHBondContact O-OG1 3.47Å; I150-T153 WeakPolarHBondContact O-CB 3.46Å; I150-T153 PolarHBondContact O-N 3.16Å; F151-T153 VanDerWaalsContact C-N 3.3Å; F151-T153 PolarHBondContact O-N 3.43Å; T153-G156 PolarHBondContact O-N 3.18Å; T153-L157 HydrophobicContact CG2-CD1 4.22Å; T153-L157 WeakPolarHBondContact O-CB 3.14Å; T153-L157 PolarHBondContact O-N 3.42Å
154	I	94.9	Very high	88.6	Confident	64 Å²	64	48.5 Å²	48.5	33%	0.328	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-49.7	178.4	-67.6	167.6	0	0	0	110.2	M107 I150 F151 G156 L157 L158	M107-I154 HydrophobicContact CG-CG1 3.91Å; M107-I154 HydrophobicContact SD-CG1 3.77Å; I150-I154 HydrophobicContact CG2-CD1 3.71Å; I150-I154 HydrophobicContact CG2-CG1 4.4Å; I150-I154 WeakPolarHBondContact O-CG1 3.46Å; I150-I154 PolarHBondContact O-N 3.21Å; F151-I154 PolarHBondContact O-N 3.42Å; I154-G156 VanDerWaalsContact C-N 3.33Å; I154-G156 PolarHBondContact O-N 2.95Å; I154-L157 WeakPolarHBondContact O-CB 3.37Å; I154-L157 PolarHBondContact O-N 3.32Å; I154-L158 HydrophobicContact CG2-CD1 4.34Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 3.15Å
155	V	94.3	Very high	86.3	Confident	33 Å²	33	49.6 Å²	49.6	20%	0.2	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-42.3	179.6	177.9	0	0	0	0	110.7	L11 F151 L157 L158 F159	L11-V155 HydrophobicContact CD1-CG1 3.88Å; F151-V155 HydrophobicContact CD1-CG2 4.3Å; F151-V155 HydrophobicContact CD2-CG2 4.38Å; F151-V155 HydrophobicContact CE1-CG2 3.91Å; F151-V155 HydrophobicContact CE2-CG2 3.99Å; F151-V155 HydrophobicContact CZ-CG2 3.74Å; F151-V155 WeakPolarHBondContact O-CG2 3.26Å; F151-V155 PolarHBondContact O-N 2.66Å; V155-L157 VanDerWaalsContact C-N 3.34Å; V155-L157 PolarHBondContact O-N 2.84Å; V155-L158 PolarHBondContact O-N 3.25Å; V155-F159 HydrophobicContact CG1-CD2 3.82Å; V155-F159 HydrophobicContact CG1-CE2 3.53Å; V155-F159 WeakPolarHBondContact O-CD2 3.21Å; V155-F159 PolarHBondContact O-N 3.01Å; V155-F159 VanDerWaalsContact O-N 3.17Å
156	G	92.7	Very high	84	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-41.9	175	0	0	0	0	0	112.7	S8 F152 T153 I154 F159 A160	S8-G156 VanDerWaalsContact CB-O 3.25Å; S8-G156 WeakPolarHBondContact CB-O 3.46Å; F152-G156 PolarHBondContact O-N 3.19Å; T153-G156 PolarHBondContact O-N 3.18Å; I154-G156 VanDerWaalsContact C-N 3.33Å; I154-G156 PolarHBondContact O-N 2.95Å; G156-F159 PolarHBondContact O-N 3.22Å; G156-A160 WeakPolarHBondContact O-CB 3.34Å; G156-A160 PolarHBondContact O-N 3.42Å
157	L	91.4	Very high	81.6	Confident	24 Å²	24	61 Å²	61	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-64.7	-39.5	175.3	-85.9	165.9	0	0	0	112.9	F12 A103 F104 M107 T153 I154 V155 A160 G161	F12-L157 HydrophobicContact CE1-CG 3.99Å; F12-L157 HydrophobicContact CZ-CB 4.48Å; F12-L157 HydrophobicContact CZ-CD2 4.22Å; F12-L157 HydrophobicContact CZ-CG 3.94Å; A103-L157 HydrophobicContact CB-CD2 3.72Å; A103-L157 HydrophobicContact CB-CG 4.18Å; F104-L157 HydrophobicContact CB-CD2 4.24Å; M107-L157 HydrophobicContact CB-CD1 3.69Å; M107-L157 HydrophobicContact CE-CD1 4.41Å; M107-L157 HydrophobicContact CG-CD1 4.1Å; M107-L157 HydrophobicContact SD-CD1 3.56Å; M107-L157 VanDerWaalsContact SD-CD1 3.56Å; T153-L157 HydrophobicContact CG2-CD1 4.22Å; T153-L157 WeakPolarHBondContact O-CB 3.14Å; T153-L157 PolarHBondContact O-N 3.42Å; I154-L157 WeakPolarHBondContact O-CB 3.37Å; I154-L157 PolarHBondContact O-N 3.32Å; V155-L157 VanDerWaalsContact C-N 3.34Å; V155-L157 PolarHBondContact O-N 2.84Å; L157-A160 PolarHBondContact O-N 3.2Å; L157-G161 VanDerWaalsContact O-CA 3.32Å; L157-G161 WeakPolarHBondContact O-CA 3.47Å; L157-G161 PolarHBondContact O-N 3.03Å
158	L	90.3	Very high	80.9	Confident	75 Å²	75	60.9 Å²	60.9	39%	0.393	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-44	177	-70.1	171.7	0	0	0	111.4	I154 V155 G161 K162 V163	I154-L158 HydrophobicContact CG2-CD1 4.34Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 3.15Å; V155-L158 PolarHBondContact O-N 3.25Å; L158-G161 PolarHBondContact O-N 3.38Å; L158-K162 PolarHBondContact O-N 3.3Å; L158-V163 PolarHBondContact O-N 2.95Å
159	F	87.4	Confident	80.1	Confident	71 Å²	71	60.6 Å²	60.6	31%	0.311	37%	0.37	S	S	.	.	H	α-helix	trans	-67.7	-45.2	175.9	-75.5	-62.6	0	0	0	112.6	L4 I7 L11 V155 G156 G161 K162	L4-F159 HydrophobicContact CD2-CD1 3.78Å; L4-F159 HydrophobicContact CD2-CE1 4.26Å; I7-F159 HydrophobicContact CG2-CD2 4.28Å; I7-F159 HydrophobicContact CG2-CE2 4.47Å; L11-F159 HydrophobicContact CD1-CD2 3.64Å; L11-F159 HydrophobicContact CD1-CE2 4.08Å; V155-F159 HydrophobicContact CG1-CD2 3.82Å; V155-F159 HydrophobicContact CG1-CE2 3.53Å; V155-F159 WeakPolarHBondContact O-CD2 3.21Å; V155-F159 PolarHBondContact O-N 3.01Å; V155-F159 VanDerWaalsContact O-N 3.17Å; G156-F159 PolarHBondContact O-N 3.22Å; F159-G161 PolarHBondContact O-N 3.1Å; F159-K162 PolarHBondContact O-N 3.02Å
160	A	84.1	Confident	79.1	Confident	8 Å²	8	63.9 Å²	63.9	7%	0.066	39%	0.39	C	S	.	.	H	α-helix	trans	-63.7	-30.4	174.8	0	0	0	0	0	112.1	F12 R100 G156 L157 K162	F12-A160 HydrophobicContact CE2-CB 4.28Å; F12-A160 HydrophobicContact CZ-CB 4.46Å; R100-A160 WeakPolarHBondContact CD-O 3.39Å; R100-A160 HydrophobicContact CG-CB 4.02Å; R100-A160 PolarHBondContact NE-O 2.65Å; R100-A160 PolarHBondContact NH1-O 3.46Å; G156-A160 WeakPolarHBondContact O-CB 3.34Å; G156-A160 PolarHBondContact O-N 3.42Å; L157-A160 PolarHBondContact O-N 3.2Å; A160-K162 VanDerWaalsContact C-N 3.27Å; A160-K162 PolarHBondContact O-N 2.81Å
161	G	77	Confident	78.1	Confident	15 Å²	15	66.5 Å²	66.5	16%	0.155	41%	0.407	C	S	.	.	H	α-helix	trans	-65.9	-25.5	177.2	0	0	0	0	0	114.3	R100 L157 L158 F159 V163	R100-G161 VanDerWaalsContact CZ-CA 3.48Å; R100-G161 PolarHBondContact NH1-O 2.96Å; L157-G161 VanDerWaalsContact O-CA 3.32Å; L157-G161 WeakPolarHBondContact O-CA 3.47Å; L157-G161 PolarHBondContact O-N 3.03Å; L158-G161 PolarHBondContact O-N 3.38Å; F159-G161 PolarHBondContact O-N 3.1Å; G161-V163 PolarHBondContact O-N 3.02Å
162	K	71.6	Confident	76.9	Confident	96 Å²	96	63.3 Å²	63.3	42%	0.417	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	23.3	-164	-63.1	-171.4	166.1	76.7	0	112.9	D2 L158 F159 A160 C164 L165	D2-K162 IonicContact OD1-NZ 3.89Å; D2-K162 PolarHBondContact OD1-NZ 2.88Å; D2-K162 IonicContact OD2-NZ 2.84Å; L158-K162 PolarHBondContact O-N 3.3Å; F159-K162 PolarHBondContact O-N 3.02Å; A160-K162 VanDerWaalsContact C-N 3.27Å; A160-K162 PolarHBondContact O-N 2.81Å; K162-C164 PolarHBondContact O-N 3.21Å; K162-L165 PolarHBondContact O-N 3.18Å
163	V	60.1	Low	75.5	Confident	108 Å²	108	64.1 Å²	64.1	66%	0.655	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.9	-177.3	179.8	0	0	0	0	111.5	L158 G161	L158-V163 PolarHBondContact O-N 2.95Å; G161-V163 PolarHBondContact O-N 3.02Å
164	C	52.4	Low	74.1	Confident	90 Å²	90	68.6 Å²	68.6	61%	0.608	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	7.3	-178.9	-55.3	0	0	0	0	114.8	K162	K162-C164 PolarHBondContact O-N 3.21Å
165	L	46.3	Very low	72.5	Confident	98 Å²	98	69 Å²	69	51%	0.513	45%	0.45	S	S	.	.	S	Bend	trans	-119.6	133.1	178.6	-74.5	175.3	0	0	0	111.4	L4 K162	L4-L165 HydrophobicContact CD1-CD1 3.36Å; K162-L165 PolarHBondContact O-N 3.18Å
166	P	47.2	Very low	70.7	Confident	124 Å²	124	72 Å²	72	81%	0.805	47%	0.471	S	S	*	.			trans	-64.5	136	166.6	27.7	-30.4	0	0	0	109.2
167	G	47.8	Very low	68.7	Low	155 Å²	155	78.5 Å²	78.5	100%	1.598	51%	0.513	S	S	*	.			trans	-68.2	0	-177.1	0	0	0	0	0	114.3

Retrieved 167 of 167 residues in 86.8 ms (Link to these results)

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