A0A5K4F7R1_SCHMA Loading...

RDS/peripherin-like protein xRDS35

AlphaFold DB , UniProt , Accession A0A5K4F7R1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 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	51.8	Low	54.8	Low	200 Å²	200	105 Å²	105	99%	0.985	58%	0.575	S	S	*	*				0	-49.9	0	-152.8	169.5	99.2	0	0	112.6	I3 N4 L5	M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.44Å; M1-N4 PolarHBondContact O-N 3.32Å; M1-L5 PolarHBondContact O-N 2.87Å; M1-L5 VanDerWaalsContact O-N 3.16Å
2	F	52.8	Low	55.4	Low	178 Å²	178	106.8 Å²	106.8	78%	0.781	57%	0.574	S	S	*	*	H	α-helix	trans	-56.4	-39.6	178	-75.7	-78.7	0	0	0	114.8	N4 L5 S6	F2-N4 VanDerWaalsContact C-N 3.34Å; F2-N4 PolarHBondContact O-N 3.31Å; F2-L5 PolarHBondContact O-N 3.37Å; F2-S6 PolarHBondContact O-N 2.82Å; F2-S6 PolarHBondContact O-OG 2.97Å; F2-S6 VanDerWaalsContact O-OG 3.06Å
3	I	55.2	Low	56.4	Low	122 Å²	122	109.4 Å²	109.4	63%	0.626	58%	0.577	S	S	*	*	H	α-helix	trans	-63.2	-39	178.3	-57.5	174.9	0	0	0	111.6	M1 S6 L7	M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.44Å; I3-S6 WeakPolarHBondContact CA-OG 3.43Å; I3-S6 PolarHBondContact O-OG 3.17Å; I3-S6 VanDerWaalsContact O-OG 3.04Å; I3-L7 HydrophobicContact CG2-CD1 3.87Å; I3-L7 VanDerWaalsContact O-CB 3.32Å; I3-L7 WeakPolarHBondContact O-CB 3.29Å; I3-L7 WeakPolarHBondContact O-CD1 3.39Å; I3-L7 VanDerWaalsContact O-CG 3.29Å; I3-L7 WeakPolarHBondContact O-CG 3.34Å; I3-L7 PolarHBondContact O-N 2.87Å
4	N	49	Very low	57.4	Low	117 Å²	117	109.9 Å²	109.9	63%	0.626	58%	0.578	S	S	*	*	H	α-helix	trans	-70.8	-34.3	177.5	-66.8	-11.4	0	0	0	111.5	M1 F2 A8	M1-N4 PolarHBondContact O-N 3.32Å; F2-N4 VanDerWaalsContact C-N 3.34Å; F2-N4 PolarHBondContact O-N 3.31Å; N4-A8 WeakPolarHBondContact O-CB 3.24Å; N4-A8 PolarHBondContact O-N 3.06Å
5	L	57.8	Low	58.6	Low	108 Å²	108	104.7 Å²	104.7	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-69.4	-44	176.6	-163.8	82.5	0	0	0	111.3	M1 F2 A8 I9	M1-L5 PolarHBondContact O-N 2.87Å; M1-L5 VanDerWaalsContact O-N 3.16Å; F2-L5 PolarHBondContact O-N 3.37Å; L5-A8 PolarHBondContact O-N 2.94Å; L5-I9 HydrophobicContact CD2-CD1 4.39Å; L5-I9 HydrophobicContact CG-CD1 4.14Å; L5-I9 WeakPolarHBondContact O-CB 3.46Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.31Å; L5-I9 PolarHBondContact O-N 2.77Å
6	S	56.3	Low	59.6	Low	73 Å²	73	101.1 Å²	101.1	51%	0.51	54%	0.539	S	S	.	.	H	α-helix	trans	-67.7	-38.9	176.9	52	0	0	0	0	112.2	F2 I3 I9 G10	F2-S6 PolarHBondContact O-N 2.82Å; F2-S6 PolarHBondContact O-OG 2.97Å; F2-S6 VanDerWaalsContact O-OG 3.06Å; I3-S6 WeakPolarHBondContact CA-OG 3.43Å; I3-S6 PolarHBondContact O-OG 3.17Å; I3-S6 VanDerWaalsContact O-OG 3.04Å; S6-I9 PolarHBondContact O-N 2.84Å; S6-G10 PolarHBondContact O-N 3.42Å
7	L	47.8	Very low	60.7	Low	106 Å²	106	98.7 Å²	98.7	56%	0.555	53%	0.531	S	S	*	.	H	α-helix	trans	-63.2	-41.1	170.2	-77.3	164	0	0	0	112.1	I3 G10 T11	I3-L7 HydrophobicContact CG2-CD1 3.87Å; I3-L7 VanDerWaalsContact O-CB 3.32Å; I3-L7 WeakPolarHBondContact O-CB 3.29Å; I3-L7 WeakPolarHBondContact O-CD1 3.39Å; I3-L7 VanDerWaalsContact O-CG 3.29Å; I3-L7 WeakPolarHBondContact O-CG 3.34Å; I3-L7 PolarHBondContact O-N 2.87Å; L7-G10 PolarHBondContact O-N 3.16Å; L7-T11 WeakPolarHBondContact O-CB 3.19Å; L7-T11 VanDerWaalsContact O-CG2 3.31Å; L7-T11 WeakPolarHBondContact O-CG2 3.41Å; L7-T11 PolarHBondContact O-N 3.23Å; L7-T11 PolarHBondContact O-OG1 3.04Å
8	A	51.7	Low	61.9	Low	53 Å²	53	100.3 Å²	100.3	44%	0.438	53%	0.533	S	S	.	.	H	α-helix	trans	-64.9	-42.2	176	0	0	0	0	0	112.2	N4 L5 T11 F12	N4-A8 WeakPolarHBondContact O-CB 3.24Å; N4-A8 PolarHBondContact O-N 3.06Å; L5-A8 PolarHBondContact O-N 2.94Å; A8-T11 WeakPolarHBondContact CA-OG1 3.32Å; A8-T11 PolarHBondContact O-OG1 2.85Å; A8-F12 WeakPolarHBondContact O-CB 3.22Å; A8-F12 PolarHBondContact O-N 2.93Å
9	I	61.1	Low	62.9	Low	84 Å²	84	101.1 Å²	101.1	43%	0.431	54%	0.536	S	S	.	.	H	α-helix	trans	-65.7	-42.1	174.7	-67.3	163.6	0	0	0	110.6	L5 S6 F12 K13	L5-I9 HydrophobicContact CD2-CD1 4.39Å; L5-I9 HydrophobicContact CG-CD1 4.14Å; L5-I9 WeakPolarHBondContact O-CB 3.46Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.31Å; L5-I9 PolarHBondContact O-N 2.77Å; S6-I9 PolarHBondContact O-N 2.84Å; I9-F12 PolarHBondContact O-N 3.45Å; I9-K13 HydrophobicContact CG2-CD 4.29Å; I9-K13 WeakPolarHBondContact O-CB 3.5Å; I9-K13 WeakPolarHBondContact O-CG 3.4Å; I9-K13 PolarHBondContact O-N 3.24Å
10	G	59.3	Low	63.9	Low	27 Å²	27	98.1 Å²	98.1	28%	0.278	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-52.2	176.4	0	0	0	0	0	112	S6 L7 F12 K13 I14	S6-G10 PolarHBondContact O-N 3.42Å; L7-G10 PolarHBondContact O-N 3.16Å; G10-F12 VanDerWaalsContact C-N 3.33Å; G10-F12 PolarHBondContact O-N 3.48Å; G10-K13 PolarHBondContact O-N 2.94Å; G10-I14 WeakPolarHBondContact O-CB 3.18Å; G10-I14 WeakPolarHBondContact O-CD1 3.26Å; G10-I14 WeakPolarHBondContact O-CG1 3.41Å; G10-I14 PolarHBondContact O-N 3Å
11	T	60.4	Low	64.9	Low	87 Å²	87	97.4 Å²	97.4	53%	0.534	52%	0.515	S	S	.	.	H	α-helix	trans	-62.3	-37.3	177.5	49.1	0	0	0	0	112.4	L7 A8 I14 G15	L7-T11 WeakPolarHBondContact O-CB 3.19Å; L7-T11 VanDerWaalsContact O-CG2 3.31Å; L7-T11 WeakPolarHBondContact O-CG2 3.41Å; L7-T11 PolarHBondContact O-N 3.23Å; L7-T11 PolarHBondContact O-OG1 3.04Å; A8-T11 WeakPolarHBondContact CA-OG1 3.32Å; A8-T11 PolarHBondContact O-OG1 2.85Å; T11-I14 PolarHBondContact O-N 3.43Å; T11-G15 PolarHBondContact O-N 3.36Å
12	F	61.8	Low	66.5	Low	127 Å²	127	91.2 Å²	91.2	56%	0.557	49%	0.486	S	S	*	.	H	α-helix	trans	-68.4	-40	174.8	-172.4	-117.2	0	0	0	113	A8 I9 G10 K16	A8-F12 WeakPolarHBondContact O-CB 3.22Å; A8-F12 PolarHBondContact O-N 2.93Å; I9-F12 PolarHBondContact O-N 3.45Å; G10-F12 VanDerWaalsContact C-N 3.33Å; G10-F12 PolarHBondContact O-N 3.48Å; F12-K16 HydrophobicContact CD1-CD 4.28Å; F12-K16 HydrophobicContact CE1-CD 4.09Å; F12-K16 HydrophobicContact CZ-CD 4.36Å; F12-K16 WeakPolarHBondContact O-CB 3.36Å; F12-K16 WeakPolarHBondContact O-CG 3.43Å; F12-K16 PolarHBondContact O-N 2.99Å
13	K	68.5	Low	68	Low	140 Å²	140	87.5 Å²	87.5	61%	0.609	47%	0.469	S	S	*	.	H	α-helix	trans	-65.6	-43.5	173.2	-76.5	-176.6	179.3	-173.1	0	111.5	I9 G10 K16 C17	I9-K13 HydrophobicContact CG2-CD 4.29Å; I9-K13 WeakPolarHBondContact O-CB 3.5Å; I9-K13 WeakPolarHBondContact O-CG 3.4Å; I9-K13 PolarHBondContact O-N 3.24Å; G10-K13 PolarHBondContact O-N 2.94Å; K13-K16 PolarHBondContact O-N 2.79Å; K13-C17 WeakPolarHBondContact O-CB 3.29Å; K13-C17 PolarHBondContact O-N 3.23Å
14	I	70.6	Confident	69.6	Low	117 Å²	117	85.2 Å²	85.2	60%	0.6	46%	0.458	S	S	*	.	H	α-helix	trans	-62.6	-45.9	176.2	-68.4	161.4	0	0	0	110.1	G10 T11 K16 C17 F18	G10-I14 WeakPolarHBondContact O-CB 3.18Å; G10-I14 WeakPolarHBondContact O-CD1 3.26Å; G10-I14 WeakPolarHBondContact O-CG1 3.41Å; G10-I14 PolarHBondContact O-N 3Å; T11-I14 PolarHBondContact O-N 3.43Å; I14-K16 PolarHBondContact O-N 2.82Å; I14-C17 PolarHBondContact O-N 3.48Å; I14-F18 VanDerWaalsContact O-CB 3.29Å; I14-F18 WeakPolarHBondContact O-CB 3.35Å; I14-F18 PolarHBondContact O-N 2.91Å
15	G	74.6	Confident	71.5	Confident	31 Å²	31	83.6 Å²	83.6	32%	0.32	45%	0.448	S	S	.	.	H	α-helix	trans	-59.8	-42.6	176.4	0	0	0	0	0	112.6	T11 F18 L19	T11-G15 PolarHBondContact O-N 3.36Å; G15-F18 PolarHBondContact O-N 3.44Å; G15-L19 WeakPolarHBondContact O-CB 3.47Å; G15-L19 VanDerWaalsContact O-CG 3.26Å; G15-L19 WeakPolarHBondContact O-CG 3.36Å; G15-L19 PolarHBondContact O-N 2.91Å
16	K	74.5	Confident	73	Confident	48 Å²	48	81.8 Å²	81.8	21%	0.209	44%	0.441	C	S	.	.	H	α-helix	trans	-65.6	-41.4	174.5	-76.5	-176.8	179.7	-175.8	0	113.1	F12 K13 I14 L19 M20 F207 K211	F12-K16 HydrophobicContact CD1-CD 4.28Å; F12-K16 HydrophobicContact CE1-CD 4.09Å; F12-K16 HydrophobicContact CZ-CD 4.36Å; F12-K16 WeakPolarHBondContact O-CB 3.36Å; F12-K16 WeakPolarHBondContact O-CG 3.43Å; F12-K16 PolarHBondContact O-N 2.99Å; K13-K16 PolarHBondContact O-N 2.79Å; I14-K16 PolarHBondContact O-N 2.82Å; K16-L19 PolarHBondContact O-N 3.31Å; K16-M20 WeakPolarHBondContact O-CG 3.48Å; K16-M20 PolarHBondContact O-N 3.01Å; K16-F207 HydrophobicContact CB-CE1 4.22Å; K16-F207 HydrophobicContact CB-CZ 4.47Å; K16-F207 HydrophobicContact CD-CE1 4.44Å; K16-F207 HydrophobicContact CD-CZ 4.06Å; K16-F207 HydrophobicContact CG-CE1 4.43Å; K16-F207 HydrophobicContact CG-CZ 4.19Å; K16-K211 HydrophobicContact CD-CD 4.3Å; K16-K211 VanDerWaalsContact NZ-CE 3.27Å
17	C	79.4	Confident	74.6	Confident	60 Å²	60	79 Å²	79	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-46.4	175.8	-168.3	0	0	0	0	111	K13 I14 L19 M20 I21	K13-C17 WeakPolarHBondContact O-CB 3.29Å; K13-C17 PolarHBondContact O-N 3.23Å; I14-C17 PolarHBondContact O-N 3.48Å; C17-L19 VanDerWaalsContact C-N 3.34Å; C17-L19 PolarHBondContact O-N 2.94Å; C17-M20 HydrophobicContact CB-CE 4.42Å; C17-M20 WeakPolarHBondContact O-CB 3.31Å; C17-M20 PolarHBondContact O-N 2.91Å; C17-I21 VanDerWaalsContact O-CG1 3.31Å; C17-I21 WeakPolarHBondContact O-CG1 3.5Å; C17-I21 PolarHBondContact O-N 3.42Å
18	F	82.2	Confident	76.6	Confident	128 Å²	128	76.2 Å²	76.2	56%	0.561	41%	0.411	S	S	*	.	H	α-helix	trans	-59.8	-43	176.6	-172.6	-110.5	0	0	0	112.1	I14 G15 I21 I22	I14-F18 VanDerWaalsContact O-CB 3.29Å; I14-F18 WeakPolarHBondContact O-CB 3.35Å; I14-F18 PolarHBondContact O-N 2.91Å; G15-F18 PolarHBondContact O-N 3.44Å; F18-I21 PolarHBondContact O-N 2.93Å; F18-I22 HydrophobicContact CD1-CD1 3.57Å; F18-I22 HydrophobicContact CD1-CG1 4.49Å; F18-I22 HydrophobicContact CE1-CD1 3.23Å; F18-I22 HydrophobicContact CE1-CG1 4.28Å; F18-I22 HydrophobicContact CE2-CD1 4.36Å; F18-I22 HydrophobicContact CG-CD1 4.28Å; F18-I22 HydrophobicContact CZ-CD1 3.67Å; F18-I22 HydrophobicContact CZ-CG1 4.35Å; F18-I22 WeakPolarHBondContact O-CG1 3.46Å; F18-I22 PolarHBondContact O-N 3.42Å
19	L	80.9	Confident	78.5	Confident	114 Å²	114	79.8 Å²	79.8	60%	0.597	42%	0.42	S	S	*	.	H	α-helix	trans	-62.5	-42.2	174.3	-73.8	171	0	0	0	112.9	G15 K16 C17 I22 F23	G15-L19 WeakPolarHBondContact O-CB 3.47Å; G15-L19 VanDerWaalsContact O-CG 3.26Å; G15-L19 WeakPolarHBondContact O-CG 3.36Å; G15-L19 PolarHBondContact O-N 2.91Å; K16-L19 PolarHBondContact O-N 3.31Å; C17-L19 VanDerWaalsContact C-N 3.34Å; C17-L19 PolarHBondContact O-N 2.94Å; L19-I22 PolarHBondContact O-N 3.45Å; L19-F23 WeakPolarHBondContact O-CB 3.34Å; L19-F23 PolarHBondContact O-N 3.19Å
20	M	81.8	Confident	80	Confident	42 Å²	42	79.3 Å²	79.3	21%	0.207	42%	0.418	C	S	.	.	H	α-helix	trans	-61.4	-44.4	174.5	-74.5	-173.5	-72	0	0	111.7	K16 C17 F23 I24 V204 F207 A208	K16-M20 WeakPolarHBondContact O-CG 3.48Å; K16-M20 PolarHBondContact O-N 3.01Å; C17-M20 HydrophobicContact CB-CE 4.42Å; C17-M20 WeakPolarHBondContact O-CB 3.31Å; C17-M20 PolarHBondContact O-N 2.91Å; M20-F23 PolarHBondContact O-N 2.89Å; M20-I24 VanDerWaalsContact O-CG1 3.3Å; M20-I24 WeakPolarHBondContact O-CG1 3.33Å; M20-I24 PolarHBondContact O-N 3.48Å; M20-V204 HydrophobicContact SD-CG1 4.44Å; M20-F207 HydrophobicContact CE-CD1 4.47Å; M20-F207 HydrophobicContact CG-CD1 3.74Å; M20-F207 HydrophobicContact CG-CE1 3.96Å; M20-F207 HydrophobicContact SD-CD1 3.54Å; M20-F207 VanDerWaalsContact SD-CD1 3.54Å; M20-F207 HydrophobicContact SD-CE1 4.08Å; M20-A208 HydrophobicContact SD-CB 4.41Å
21	I	84.8	Confident	81.5	Confident	83 Å²	83	80.8 Å²	80.8	43%	0.426	42%	0.417	S	S	.	.	H	α-helix	trans	-62.4	-47.3	178.9	-68.2	165.9	0	0	0	110.2	C17 F18 F23 I24 I25	C17-I21 VanDerWaalsContact O-CG1 3.31Å; C17-I21 WeakPolarHBondContact O-CG1 3.5Å; C17-I21 PolarHBondContact O-N 3.42Å; F18-I21 PolarHBondContact O-N 2.93Å; I21-F23 VanDerWaalsContact C-N 3.32Å; I21-F23 PolarHBondContact O-N 3.4Å; I21-I24 PolarHBondContact O-N 3.26Å; I21-I25 HydrophobicContact CG2-CD1 3.64Å; I21-I25 HydrophobicContact CG2-CG1 4.37Å; I21-I25 WeakPolarHBondContact O-CB 3.48Å; I21-I25 VanDerWaalsContact O-CG1 3.24Å; I21-I25 WeakPolarHBondContact O-CG1 3.46Å; I21-I25 PolarHBondContact O-N 2.93Å
22	I	86.3	Confident	83.1	Confident	71 Å²	71	81.2 Å²	81.2	36%	0.364	42%	0.415	S	S	.	.	H	α-helix	trans	-57.4	-48	175.5	-72	169.6	0	0	0	110.5	F18 L19 I24 I25 V26	F18-I22 HydrophobicContact CD1-CD1 3.57Å; F18-I22 HydrophobicContact CD1-CG1 4.49Å; F18-I22 HydrophobicContact CE1-CD1 3.23Å; F18-I22 HydrophobicContact CE1-CG1 4.28Å; F18-I22 HydrophobicContact CE2-CD1 4.36Å; F18-I22 HydrophobicContact CG-CD1 4.28Å; F18-I22 HydrophobicContact CZ-CD1 3.67Å; F18-I22 HydrophobicContact CZ-CG1 4.35Å; F18-I22 WeakPolarHBondContact O-CG1 3.46Å; F18-I22 PolarHBondContact O-N 3.42Å; L19-I22 PolarHBondContact O-N 3.45Å; I22-I24 PolarHBondContact O-N 3.35Å; I22-I25 PolarHBondContact O-N 3.04Å; I22-V26 HydrophobicContact CG2-CG2 4.17Å; I22-V26 WeakPolarHBondContact O-CB 3.32Å; I22-V26 VanDerWaalsContact O-CG2 3.3Å; I22-V26 WeakPolarHBondContact O-CG2 3.3Å; I22-V26 PolarHBondContact O-N 3.46Å
23	F	84.4	Confident	84.6	Confident	100 Å²	100	77 Å²	77	44%	0.439	41%	0.408	S	S	.	.	H	α-helix	trans	-59.9	-46.9	-179.1	-177.5	-105.5	0	0	0	111.7	L19 M20 I21 I25 V26 S27 T200 V204	L19-F23 WeakPolarHBondContact O-CB 3.34Å; L19-F23 PolarHBondContact O-N 3.19Å; M20-F23 PolarHBondContact O-N 2.89Å; I21-F23 VanDerWaalsContact C-N 3.32Å; I21-F23 PolarHBondContact O-N 3.4Å; F23-I25 PolarHBondContact O-N 2.86Å; F23-V26 PolarHBondContact O-N 3.36Å; F23-S27 VanDerWaalsContact O-CB 3.32Å; F23-S27 WeakPolarHBondContact O-CB 3.24Å; F23-S27 PolarHBondContact O-N 2.88Å; F23-S27 PolarHBondContact O-OG 3.46Å; F23-S27 VanDerWaalsContact O-OG 3.04Å; F23-T200 HydrophobicContact CD1-CG2 4.13Å; F23-T200 HydrophobicContact CE1-CG2 3.39Å; F23-T200 HydrophobicContact CZ-CG2 3.96Å; F23-V204 HydrophobicContact CD1-CG2 3.75Å; F23-V204 HydrophobicContact CE1-CG2 4.03Å
24	I	87.4	Confident	85.8	Confident	74 Å²	74	73.1 Å²	73.1	38%	0.379	39%	0.392	S	S	.	.	H	α-helix	trans	-59.7	-47.9	175.9	-68	165.8	0	0	0	110.8	M20 I21 I22 V26 S27 S28 V204	M20-I24 VanDerWaalsContact O-CG1 3.3Å; M20-I24 WeakPolarHBondContact O-CG1 3.33Å; M20-I24 PolarHBondContact O-N 3.48Å; I21-I24 PolarHBondContact O-N 3.26Å; I22-I24 PolarHBondContact O-N 3.35Å; I24-V26 PolarHBondContact O-N 2.91Å; I24-S27 PolarHBondContact O-N 2.97Å; I24-S28 VanDerWaalsContact O-CB 3.32Å; I24-S28 WeakPolarHBondContact O-CB 3.43Å; I24-S28 PolarHBondContact O-N 3.13Å; I24-S28 PolarHBondContact O-OG 2.98Å; I24-S28 VanDerWaalsContact O-OG 3.06Å; I24-V204 HydrophobicContact CD1-CG1 3.76Å; I24-V204 HydrophobicContact CD1-CG2 4.41Å; I24-V204 HydrophobicContact CG1-CG1 4.21Å; I24-V204 HydrophobicContact CG1-CG2 3.94Å
25	I	89.2	Confident	86.8	Confident	83 Å²	83	70.1 Å²	70.1	43%	0.426	38%	0.376	S	S	.	.	H	α-helix	trans	-59.8	-48.3	-179.4	-70	168.8	0	0	0	110.5	I21 I22 F23 S28 M29	I21-I25 HydrophobicContact CG2-CD1 3.64Å; I21-I25 HydrophobicContact CG2-CG1 4.37Å; I21-I25 WeakPolarHBondContact O-CB 3.48Å; I21-I25 VanDerWaalsContact O-CG1 3.24Å; I21-I25 WeakPolarHBondContact O-CG1 3.46Å; I21-I25 PolarHBondContact O-N 2.93Å; I22-I25 PolarHBondContact O-N 3.04Å; F23-I25 PolarHBondContact O-N 2.86Å; I25-S28 PolarHBondContact O-N 3.43Å; I25-M29 HydrophobicContact CG2-CE 3.75Å; I25-M29 HydrophobicContact CG2-SD 4.28Å; I25-M29 WeakPolarHBondContact O-CG 3.3Å; I25-M29 PolarHBondContact O-N 3.3Å
26	V	89.7	Confident	87.7	Confident	70 Å²	70	73.4 Å²	73.4	42%	0.424	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-47.9	178.8	172	0	0	0	0	110.5	I22 F23 I24 S28 M29 I30	I22-V26 HydrophobicContact CG2-CG2 4.17Å; I22-V26 WeakPolarHBondContact O-CB 3.32Å; I22-V26 VanDerWaalsContact O-CG2 3.3Å; I22-V26 WeakPolarHBondContact O-CG2 3.3Å; I22-V26 PolarHBondContact O-N 3.46Å; F23-V26 PolarHBondContact O-N 3.36Å; I24-V26 PolarHBondContact O-N 2.91Å; V26-S28 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 3.4Å; V26-M29 PolarHBondContact O-N 3.14Å; V26-I30 HydrophobicContact CG1-CD1 3.83Å; V26-I30 HydrophobicContact CG1-CG1 4.46Å; V26-I30 VanDerWaalsContact O-CG1 3.28Å; V26-I30 WeakPolarHBondContact O-CG1 3.32Å; V26-I30 PolarHBondContact O-N 3.09Å
27	S	89.2	Confident	88.5	Confident	13 Å²	13	77.4 Å²	77.4	9%	0.091	40%	0.403	C	S	.	.	H	α-helix	trans	-61.5	-39.2	177.6	-66.1	0	0	0	0	112.8	F23 I24 I30 F31 T200	F23-S27 VanDerWaalsContact O-CB 3.32Å; F23-S27 WeakPolarHBondContact O-CB 3.24Å; F23-S27 PolarHBondContact O-N 2.88Å; F23-S27 PolarHBondContact O-OG 3.46Å; F23-S27 VanDerWaalsContact O-OG 3.04Å; I24-S27 PolarHBondContact O-N 2.97Å; S27-I30 PolarHBondContact O-N 3Å; S27-F31 WeakPolarHBondContact O-CB 3.32Å; S27-F31 PolarHBondContact O-N 2.93Å; S27-T200 WeakPolarHBondContact OG-CG2 3.41Å
28	S	90.1	Very high	89.1	Confident	49 Å²	49	76 Å²	76	34%	0.343	39%	0.391	S	S	.	.	H	α-helix	trans	-66.5	-40.9	174.7	-68	0	0	0	0	111.9	I24 I25 V26 F31 I32	I24-S28 VanDerWaalsContact O-CB 3.32Å; I24-S28 WeakPolarHBondContact O-CB 3.43Å; I24-S28 PolarHBondContact O-N 3.13Å; I24-S28 PolarHBondContact O-OG 2.98Å; I24-S28 VanDerWaalsContact O-OG 3.06Å; I25-S28 PolarHBondContact O-N 3.43Å; V26-S28 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 3.4Å; S28-F31 PolarHBondContact O-N 3.41Å; S28-I32 WeakPolarHBondContact O-CB 3.25Å; S28-I32 VanDerWaalsContact O-CG1 3.25Å; S28-I32 WeakPolarHBondContact O-CG1 3.49Å; S28-I32 PolarHBondContact O-N 3.29Å
29	M	92.4	Very high	89.4	Confident	128 Å²	128	73.6 Å²	73.6	63%	0.631	38%	0.384	S	S	*	.	H	α-helix	trans	-62.1	-44.3	174.7	-74.9	-177.6	179.6	0	0	111.7	I25 V26 I32 G33	I25-M29 HydrophobicContact CG2-CE 3.75Å; I25-M29 HydrophobicContact CG2-SD 4.28Å; I25-M29 WeakPolarHBondContact O-CG 3.3Å; I25-M29 PolarHBondContact O-N 3.3Å; V26-M29 PolarHBondContact O-N 3.14Å; M29-I32 PolarHBondContact O-N 3.5Å; M29-G33 PolarHBondContact O-N 2.81Å
30	I	91.7	Very high	89.8	Confident	74 Å²	74	74.5 Å²	74.5	38%	0.379	38%	0.383	S	S	.	.	H	α-helix	trans	-63.6	-45.4	176.7	-61.3	165.2	0	0	0	110.3	V26 S27 I32 G33 E34 R196	V26-I30 HydrophobicContact CG1-CD1 3.83Å; V26-I30 HydrophobicContact CG1-CG1 4.46Å; V26-I30 VanDerWaalsContact O-CG1 3.28Å; V26-I30 WeakPolarHBondContact O-CG1 3.32Å; V26-I30 PolarHBondContact O-N 3.09Å; S27-I30 PolarHBondContact O-N 3Å; I30-I32 PolarHBondContact O-N 3.21Å; I30-G33 PolarHBondContact O-N 2.95Å; I30-E34 HydrophobicContact CG2-CG 4.37Å; I30-E34 WeakPolarHBondContact O-CG 3.29Å; I30-E34 PolarHBondContact O-N 2.92Å; I30-R196 VanDerWaalsContact CG2-NH1 3.31Å
31	F	91.5	Very high	90.1	Very high	57 Å²	57	73.3 Å²	73.3	25%	0.25	38%	0.377	C	S	.	.	H	α-helix	trans	-57.8	-47.9	176.6	172.4	-94.9	0	0	0	112.3	S27 S28 G33 E34 M35 I193 I197	S27-F31 WeakPolarHBondContact O-CB 3.32Å; S27-F31 PolarHBondContact O-N 2.93Å; S28-F31 PolarHBondContact O-N 3.41Å; F31-G33 VanDerWaalsContact C-N 3.33Å; F31-G33 PolarHBondContact O-N 3.48Å; F31-E34 PolarHBondContact O-N 2.94Å; F31-M35 HydrophobicContact CD1-CG 4.38Å; F31-M35 HydrophobicContact CD2-CG 4.43Å; F31-M35 HydrophobicContact CE1-CG 3.97Å; F31-M35 HydrophobicContact CE2-CG 4.04Å; F31-M35 HydrophobicContact CE2-SD 4.4Å; F31-M35 HydrophobicContact CZ-CG 3.78Å; F31-M35 HydrophobicContact CZ-SD 4.33Å; F31-M35 WeakPolarHBondContact O-CB 3.28Å; F31-M35 WeakPolarHBondContact O-CG 3.35Å; F31-M35 PolarHBondContact O-N 3.44Å; F31-I193 HydrophobicContact CD2-CG2 3.4Å; F31-I193 VanDerWaalsContact CD2-CG2 3.4Å; F31-I193 HydrophobicContact CE2-CG2 3.57Å; F31-I193 HydrophobicContact CG-CG2 4.5Å; F31-I197 HydrophobicContact CB-CD1 4.25Å; F31-I197 HydrophobicContact CD2-CB 3.94Å; F31-I197 HydrophobicContact CD2-CG1 4.2Å; F31-I197 HydrophobicContact CD2-CG2 4.17Å; F31-I197 HydrophobicContact CE2-CB 4.29Å; F31-I197 HydrophobicContact CE2-CG2 4Å; F31-I197 HydrophobicContact CG-CD1 4.42Å; F31-I197 HydrophobicContact CG-CG1 4.44Å
32	I	93.3	Very high	90.1	Very high	96 Å²	96	75.2 Å²	75.2	49%	0.492	38%	0.38	S	S	.	.	H	α-helix	trans	-61.1	-44.2	176.8	-68.6	165.7	0	0	0	110.3	S28 M29 I30 E34 M35 L36	S28-I32 WeakPolarHBondContact O-CB 3.25Å; S28-I32 VanDerWaalsContact O-CG1 3.25Å; S28-I32 WeakPolarHBondContact O-CG1 3.49Å; S28-I32 PolarHBondContact O-N 3.29Å; M29-I32 PolarHBondContact O-N 3.5Å; I30-I32 PolarHBondContact O-N 3.21Å; I32-E34 PolarHBondContact O-N 2.91Å; I32-M35 PolarHBondContact O-N 3.38Å; I32-L36 HydrophobicContact CG2-CD1 3.94Å; I32-L36 HydrophobicContact CG2-CG 4.36Å; I32-L36 WeakPolarHBondContact O-CB 3.37Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.45Å; I32-L36 PolarHBondContact O-N 3.06Å
33	G	93.8	Very high	90.1	Very high	40 Å²	40	78.1 Å²	78.1	41%	0.412	39%	0.392	S	S	.	.	H	α-helix	trans	-59.2	-45.5	177.8	0	0	0	0	0	113	M29 I30 F31 L36 F37	M29-G33 PolarHBondContact O-N 2.81Å; I30-G33 PolarHBondContact O-N 2.95Å; F31-G33 VanDerWaalsContact C-N 3.33Å; F31-G33 PolarHBondContact O-N 3.48Å; G33-L36 PolarHBondContact O-N 3.4Å; G33-F37 WeakPolarHBondContact O-CB 3.32Å; G33-F37 PolarHBondContact O-N 2.81Å
34	E	92.9	Very high	90.1	Very high	58 Å²	58	79.4 Å²	79.4	27%	0.271	40%	0.395	S	S	.	.	H	α-helix	trans	-68.2	-39.5	177.8	-70.9	171	172.2	0	0	112.8	I30 F31 I32 F37 L38 I193 R196	I30-E34 HydrophobicContact CG2-CG 4.37Å; I30-E34 WeakPolarHBondContact O-CG 3.29Å; I30-E34 PolarHBondContact O-N 2.92Å; F31-E34 PolarHBondContact O-N 2.94Å; I32-E34 PolarHBondContact O-N 2.91Å; E34-F37 WeakPolarHBondContact O-CB 3.5Å; E34-F37 PolarHBondContact O-N 3.33Å; E34-L38 PolarHBondContact O-N 3.33Å; E34-I193 HydrophobicContact CB-CD1 3.72Å; E34-I193 HydrophobicContact CB-CG1 4.12Å; E34-I193 WeakPolarHBondContact OE2-CG1 3.33Å; E34-R196 VanDerWaalsContact CD-NH2 3.29Å; E34-R196 IonicContact OE1-CZ 3.15Å; E34-R196 IonicContact OE1-NH1 3.32Å; E34-R196 PolarHBondContact OE1-NH1 2.95Å; E34-R196 IonicContact OE1-NH2 3.43Å; E34-R196 PolarHBondContact OE1-NH2 3.41Å; E34-R196 IonicContact OE2-CZ 3.99Å; E34-R196 IonicContact OE2-NH1 3.04Å; E34-R196 PolarHBondContact OE2-NH1 3.34Å; E34-R196 IonicContact OE2-NH2 2.6Å; E34-R196 PolarHBondContact OE2-NH2 2.93Å
35	M	92.4	Very high	89.6	Confident	53 Å²	53	80.2 Å²	80.2	26%	0.261	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-44.9	175	-74.2	-59.7	-63.6	0	0	111.4	F31 I32 F37 L38 I39 L190 I193	F31-M35 HydrophobicContact CD1-CG 4.38Å; F31-M35 HydrophobicContact CD2-CG 4.43Å; F31-M35 HydrophobicContact CE1-CG 3.97Å; F31-M35 HydrophobicContact CE2-CG 4.04Å; F31-M35 HydrophobicContact CE2-SD 4.4Å; F31-M35 HydrophobicContact CZ-CG 3.78Å; F31-M35 HydrophobicContact CZ-SD 4.33Å; F31-M35 WeakPolarHBondContact O-CB 3.28Å; F31-M35 WeakPolarHBondContact O-CG 3.35Å; F31-M35 PolarHBondContact O-N 3.44Å; I32-M35 PolarHBondContact O-N 3.38Å; M35-F37 VanDerWaalsContact C-N 3.27Å; M35-F37 PolarHBondContact O-N 3.22Å; M35-L38 PolarHBondContact O-N 3.49Å; M35-I39 WeakPolarHBondContact O-CB 3.28Å; M35-I39 WeakPolarHBondContact O-CD1 3.41Å; M35-I39 VanDerWaalsContact O-CG1 3.22Å; M35-I39 WeakPolarHBondContact O-CG1 3.45Å; M35-I39 PolarHBondContact O-N 3.47Å; M35-L190 HydrophobicContact CE-CD1 3.85Å; M35-L190 HydrophobicContact SD-CD1 3.66Å; M35-I193 HydrophobicContact CG-CG2 4.48Å; M35-I193 HydrophobicContact SD-CG2 4.25Å
36	L	94.2	Very high	88.7	Confident	100 Å²	100	81.1 Å²	81.1	52%	0.524	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-37.4	174.4	-71.1	174.8	0	0	0	111.7	I32 G33 K40	I32-L36 HydrophobicContact CG2-CD1 3.94Å; I32-L36 HydrophobicContact CG2-CG 4.36Å; I32-L36 WeakPolarHBondContact O-CB 3.37Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.45Å; I32-L36 PolarHBondContact O-N 3.06Å; G33-L36 PolarHBondContact O-N 3.4Å; L36-K40 WeakPolarHBondContact O-CG 3.47Å; L36-K40 PolarHBondContact O-N 3.03Å
37	F	91.7	Very high	87.8	Confident	133 Å²	133	81.6 Å²	81.6	58%	0.583	40%	0.396	S	S	*	.	H	α-helix	trans	-62.8	-51.7	174.2	178.2	-99.1	0	0	0	111.3	G33 E34 M35 I39 K40 V41	G33-F37 WeakPolarHBondContact O-CB 3.32Å; G33-F37 PolarHBondContact O-N 2.81Å; E34-F37 WeakPolarHBondContact O-CB 3.5Å; E34-F37 PolarHBondContact O-N 3.33Å; M35-F37 VanDerWaalsContact C-N 3.27Å; M35-F37 PolarHBondContact O-N 3.22Å; F37-I39 VanDerWaalsContact C-N 3.32Å; F37-I39 PolarHBondContact O-N 2.95Å; F37-K40 WeakPolarHBondContact O-CB 3.33Å; F37-K40 PolarHBondContact O-N 3.49Å; F37-K40 VanDerWaalsContact O-N 3.12Å; F37-V41 HydrophobicContact CD1-CG2 4.05Å; F37-V41 HydrophobicContact CD2-CG2 4.42Å; F37-V41 HydrophobicContact CE1-CG2 3.66Å; F37-V41 HydrophobicContact CE2-CG2 4.05Å; F37-V41 HydrophobicContact CG-CG2 4.42Å; F37-V41 HydrophobicContact CZ-CG2 3.66Å; F37-V41 WeakPolarHBondContact O-CG2 3.45Å; F37-V41 PolarHBondContact O-N 3.4Å
38	L	90.3	Very high	86.8	Confident	29 Å²	29	85.1 Å²	85.1	15%	0.152	42%	0.417	C	S	.	.	H	α-helix	trans	-59.3	-41	177.3	-74.9	-172.3	0	0	0	112.6	E34 M35 K40 V41 Y42 L186 L190 I193	E34-L38 PolarHBondContact O-N 3.33Å; M35-L38 PolarHBondContact O-N 3.49Å; L38-K40 VanDerWaalsContact C-N 3.34Å; L38-K40 PolarHBondContact O-N 2.89Å; L38-V41 PolarHBondContact O-N 2.93Å; L38-Y42 WeakPolarHBondContact O-CB 3.36Å; L38-Y42 PolarHBondContact O-N 3.46Å; L38-L186 HydrophobicContact CD2-CD2 3.74Å; L38-L190 HydrophobicContact CD1-CB 4.14Å; L38-L190 HydrophobicContact CD1-CD1 4.45Å; L38-I193 HydrophobicContact CD1-CD1 3.3Å; L38-I193 HydrophobicContact CG-CD1 3.89Å
39	I	89.8	Confident	85.7	Confident	79 Å²	79	85.9 Å²	85.9	41%	0.405	41%	0.414	S	S	.	.	H	α-helix	trans	-59.8	-45.9	175.5	-70.5	164.5	0	0	0	110.3	M35 F37 Y42 Q43	M35-I39 WeakPolarHBondContact O-CB 3.28Å; M35-I39 WeakPolarHBondContact O-CD1 3.41Å; M35-I39 VanDerWaalsContact O-CG1 3.22Å; M35-I39 WeakPolarHBondContact O-CG1 3.45Å; M35-I39 PolarHBondContact O-N 3.47Å; F37-I39 VanDerWaalsContact C-N 3.32Å; F37-I39 PolarHBondContact O-N 2.95Å; I39-Y42 PolarHBondContact O-N 2.87Å; I39-Q43 HydrophobicContact CG2-CG 4.34Å; I39-Q43 WeakPolarHBondContact O-CB 3.48Å; I39-Q43 VanDerWaalsContact O-CG 3.28Å; I39-Q43 WeakPolarHBondContact O-CG 3.28Å; I39-Q43 PolarHBondContact O-N 2.94Å
40	K	89.6	Confident	84.9	Confident	133 Å²	133	82.6 Å²	82.6	58%	0.578	40%	0.399	S	S	*	.	H	α-helix	trans	-62.3	-46.7	176	-77.7	-176.1	177.6	-176.6	0	111.6	L36 F37 L38 Y42 Q43 Y44	L36-K40 WeakPolarHBondContact O-CG 3.47Å; L36-K40 PolarHBondContact O-N 3.03Å; F37-K40 WeakPolarHBondContact O-CB 3.33Å; F37-K40 PolarHBondContact O-N 3.49Å; F37-K40 VanDerWaalsContact O-N 3.12Å; L38-K40 VanDerWaalsContact C-N 3.34Å; L38-K40 PolarHBondContact O-N 2.89Å; K40-Y42 VanDerWaalsContact C-N 3.27Å; K40-Y42 PolarHBondContact O-N 3.22Å; K40-Q43 PolarHBondContact O-N 3.48Å; K40-Y44 VanDerWaalsContact O-CD2 3.25Å; K40-Y44 WeakPolarHBondContact O-CD2 3.42Å; K40-Y44 PolarHBondContact O-N 3.47Å
41	V	87.2	Confident	84.5	Confident	16 Å²	16	79.1 Å²	79.1	10%	0.097	38%	0.382	C	S	.	.	H	α-helix	trans	-59.1	-41.8	178.6	177.7	0	0	0	0	110.7	F37 L38 Y44 R45 F49 L186	F37-V41 HydrophobicContact CD1-CG2 4.05Å; F37-V41 HydrophobicContact CD2-CG2 4.42Å; F37-V41 HydrophobicContact CE1-CG2 3.66Å; F37-V41 HydrophobicContact CE2-CG2 4.05Å; F37-V41 HydrophobicContact CG-CG2 4.42Å; F37-V41 HydrophobicContact CZ-CG2 3.66Å; F37-V41 WeakPolarHBondContact O-CG2 3.45Å; F37-V41 PolarHBondContact O-N 3.4Å; L38-V41 PolarHBondContact O-N 2.93Å; V41-Y44 CarbonylContact O-C 3.5Å; V41-R45 WeakPolarHBondContact O-CA 3.39Å; V41-R45 PolarHBondContact O-N 3.48Å; V41-F49 HydrophobicContact CG1-CB 3.55Å; V41-F49 HydrophobicContact CG1-CD1 3.88Å; V41-F49 HydrophobicContact CG1-CD2 3.61Å; V41-F49 HydrophobicContact CG1-CE1 4.5Å; V41-F49 HydrophobicContact CG1-CE2 4.27Å; V41-F49 HydrophobicContact CG1-CG 3.38Å; V41-L186 HydrophobicContact CB-CD2 4.05Å; V41-L186 HydrophobicContact CG1-CD2 3.67Å
42	Y	85.9	Confident	84.4	Confident	123 Å²	123	81 Å²	81	48%	0.482	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-46.2	175.3	-178.6	-97.4	0	0	0	112.8	L38 I39 K40 Y44 R45 L186	L38-Y42 WeakPolarHBondContact O-CB 3.36Å; L38-Y42 PolarHBondContact O-N 3.46Å; I39-Y42 PolarHBondContact O-N 2.87Å; K40-Y42 VanDerWaalsContact C-N 3.27Å; K40-Y42 PolarHBondContact O-N 3.22Å; Y42-Y44 VanDerWaalsContact C-N 3.29Å; Y42-Y44 PolarHBondContact O-N 2.95Å; Y42-R45 WeakPolarHBondContact O-CB 3.41Å; Y42-R45 WeakPolarHBondContact O-CG 3.43Å; Y42-R45 PolarHBondContact O-N 3.37Å; Y42-R45 PolarHBondContact OH-NH1 3.38Å; Y42-L186 HydrophobicContact CD2-CD1 3.91Å
43	Q	86	Confident	84.2	Confident	133 Å²	133	81.8 Å²	81.8	62%	0.621	39%	0.389	S	S	*	.	H	α-helix	trans	-61.1	-37.9	178.4	-77.9	177.2	-18.4	0	0	112.3	I39 K40	I39-Q43 HydrophobicContact CG2-CG 4.34Å; I39-Q43 WeakPolarHBondContact O-CB 3.48Å; I39-Q43 VanDerWaalsContact O-CG 3.28Å; I39-Q43 WeakPolarHBondContact O-CG 3.28Å; I39-Q43 PolarHBondContact O-N 2.94Å; K40-Q43 PolarHBondContact O-N 3.48Å
44	Y	83	Confident	83.9	Confident	126 Å²	126	84.6 Å²	84.6	49%	0.494	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	18	179.8	-67.3	-76.1	0	0	0	112.9	K40 V41 Y42 E46 N47 V48	K40-Y44 VanDerWaalsContact O-CD2 3.25Å; K40-Y44 WeakPolarHBondContact O-CD2 3.42Å; K40-Y44 PolarHBondContact O-N 3.47Å; V41-Y44 CarbonylContact O-C 3.5Å; Y42-Y44 VanDerWaalsContact C-N 3.29Å; Y42-Y44 PolarHBondContact O-N 2.95Å; Y44-E46 VanDerWaalsContact C-N 3.26Å; Y44-E46 PolarHBondContact O-N 3.43Å; Y44-N47 PolarHBondContact O-N 3.32Å; Y44-V48 HydrophobicContact CG-CG2 4.32Å; Y44-V48 WeakPolarHBondContact O-CB 3.43Å; Y44-V48 PolarHBondContact O-N 3.5Å
45	R	77.5	Confident	83.9	Confident	91 Å²	91	82.4 Å²	82.4	34%	0.343	38%	0.383	S	S	.	.	H	α-helix	trans	-53.8	-43.6	-173	73.3	-169.8	-176.4	-161.9	-1.5	112.5	V41 Y42 N47 F49 G51	V41-R45 WeakPolarHBondContact O-CA 3.39Å; V41-R45 PolarHBondContact O-N 3.48Å; Y42-R45 WeakPolarHBondContact O-CB 3.41Å; Y42-R45 WeakPolarHBondContact O-CG 3.43Å; Y42-R45 PolarHBondContact O-N 3.37Å; Y42-R45 PolarHBondContact OH-NH1 3.38Å; R45-N47 VanDerWaalsContact C-N 3.26Å; R45-N47 PolarHBondContact O-N 2.92Å; R45-F49 CarbonylContact O-C 3.5Å; R45-F49 PolarHBondContact O-N 2.91Å; R45-F49 VanDerWaalsContact O-O 3.05Å; R45-G51 WeakPolarHBondContact O-CA 3.4Å; R45-G51 PolarHBondContact O-N 2.6Å
46	E	71.3	Confident	84	Confident	103 Å²	103	81.2 Å²	81.2	48%	0.481	38%	0.378	S	S	.	.	H	α-helix	trans	-71.2	-21.8	-177.5	-71.2	167.6	-155.6	0	0	112.9	Y44 G51	Y44-E46 VanDerWaalsContact C-N 3.26Å; Y44-E46 PolarHBondContact O-N 3.43Å; E46-G51 CarbonylContact O-C 3.58Å; E46-G51 VanDerWaalsContact O-CA 3.31Å; E46-G51 WeakPolarHBondContact O-CA 3.38Å
47	N	69.6	Low	84	Confident	79 Å²	79	83 Å²	83	42%	0.422	38%	0.381	S	S	.	.	H	α-helix	trans	-107.7	-27.1	-175.6	-65.9	-19.1	0	0	0	113.6	Y44 R45 Q53	Y44-N47 PolarHBondContact O-N 3.32Å; R45-N47 VanDerWaalsContact C-N 3.26Å; R45-N47 PolarHBondContact O-N 2.92Å; N47-Q53 PolarHBondContact OD1-NE2 2.9Å; N47-Q53 PolarHBondContact OD1-OE1 3.26Å
48	V	67.6	Low	84.1	Confident	88 Å²	88	81.5 Å²	81.5	53%	0.533	38%	0.375	S	S	.	.	H	α-helix	trans	-128.3	-38.2	-165.3	178.7	0	0	0	0	112.9	Y44	Y44-V48 HydrophobicContact CG-CG2 4.32Å; Y44-V48 WeakPolarHBondContact O-CB 3.43Å; Y44-V48 PolarHBondContact O-N 3.5Å
49	F	69	Low	84.4	Confident	65 Å²	65	80.1 Å²	80.1	29%	0.285	37%	0.367	S	S	.	.	S	Bend	trans	-111.4	88.9	-173	-168.6	-103.4	0	0	0	111.5	V41 R45 G51 P182 L185	V41-F49 HydrophobicContact CG1-CB 3.55Å; V41-F49 HydrophobicContact CG1-CD1 3.88Å; V41-F49 HydrophobicContact CG1-CD2 3.61Å; V41-F49 HydrophobicContact CG1-CE1 4.5Å; V41-F49 HydrophobicContact CG1-CE2 4.27Å; V41-F49 HydrophobicContact CG1-CG 3.38Å; R45-F49 CarbonylContact O-C 3.5Å; R45-F49 PolarHBondContact O-N 2.91Å; R45-F49 VanDerWaalsContact O-O 3.05Å; F49-G51 PolarHBondContact O-N 2.67Å; F49-P182 HydrophobicContact CD1-CB 3.9Å; F49-P182 HydrophobicContact CE1-CB 3.91Å; F49-L185 HydrophobicContact CE1-CB 4.42Å; F49-L185 HydrophobicContact CE1-CD1 4.45Å; F49-L185 HydrophobicContact CZ-CB 4.41Å; F49-L185 HydrophobicContact CZ-CD1 4.21Å
50	L	75	Confident	84.7	Confident	58 Å²	58	79.6 Å²	79.6	30%	0.304	36%	0.362	S	S	.	.	S	Bend	trans	56.7	21.9	-179.4	-64.4	169.4	0	0	0	113.4	I55 L178 P182 L185	L50-I55 WeakPolarHBondContact O-CD1 3.32Å; L50-L178 HydrophobicContact CB-CD1 4.06Å; L50-L178 HydrophobicContact CD1-CD2 4.19Å; L50-L178 HydrophobicContact CD2-CD1 4.22Å; L50-P182 HydrophobicContact CB-CB 4.48Å; L50-P182 HydrophobicContact CB-CG 3.9Å; L50-P182 HydrophobicContact CD1-CG 4.1Å; L50-L185 HydrophobicContact CD1-CD1 4.47Å
51	G	83.3	Confident	84.9	Confident	2 Å²	2	76.9 Å²	76.9	2%	0.021	35%	0.354	C	S	.	.			trans	-75.1	160	172.8	0	0	0	0	0	112.1	R45 E46 F49 Q53 M54 I55	R45-G51 WeakPolarHBondContact O-CA 3.4Å; R45-G51 PolarHBondContact O-N 2.6Å; E46-G51 CarbonylContact O-C 3.58Å; E46-G51 VanDerWaalsContact O-CA 3.31Å; E46-G51 WeakPolarHBondContact O-CA 3.38Å; F49-G51 PolarHBondContact O-N 2.67Å; G51-Q53 VanDerWaalsContact C-N 3.26Å; G51-Q53 PolarHBondContact O-N 2.71Å; G51-Q53 VanDerWaalsContact O-N 3.16Å; G51-M54 PolarHBondContact O-N 3.37Å; G51-I55 WeakPolarHBondContact O-CG1 3.49Å; G51-I55 PolarHBondContact O-N 3.47Å
52	Y	88.2	Confident	85.4	Confident	95 Å²	95	76.8 Å²	76.8	37%	0.373	35%	0.353	S	S	.	.	H	α-helix	trans	-51.8	-42.5	-175.4	-178.7	-94.1	0	0	0	112.9	M54 I55 D56 P171 E172 Y175	Y52-M54 VanDerWaalsContact C-N 3.32Å; Y52-M54 PolarHBondContact O-N 3.35Å; Y52-I55 PolarHBondContact O-N 3.38Å; Y52-D56 HydrophobicContact CD1-CB 4.49Å; Y52-D56 HydrophobicContact CE1-CB 4.23Å; Y52-D56 VanDerWaalsContact O-CB 3.29Å; Y52-D56 WeakPolarHBondContact O-CB 3.41Å; Y52-D56 PolarHBondContact O-N 2.93Å; Y52-P171 HydrophobicContact CE2-CB 3.91Å; Y52-E172 HydrophobicContact CE2-CB 4.42Å; Y52-Y175 HydrophobicContact CD2-CD1 4.5Å; Y52-Y175 HydrophobicContact CD2-CG 4.24Å
53	Q	89.2	Confident	85.7	Confident	114 Å²	114	71 Å²	71	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-37.3	-179.4	-65.6	-173.7	-4.3	0	0	113.4	N47 G51 K57	N47-Q53 PolarHBondContact OD1-NE2 2.9Å; N47-Q53 PolarHBondContact OD1-OE1 3.26Å; G51-Q53 VanDerWaalsContact C-N 3.26Å; G51-Q53 PolarHBondContact O-N 2.71Å; G51-Q53 VanDerWaalsContact O-N 3.16Å; Q53-K57 VanDerWaalsContact O-CB 3.27Å; Q53-K57 WeakPolarHBondContact O-CB 3.25Å; Q53-K57 PolarHBondContact O-N 3.12Å
54	M	88.8	Confident	86	Confident	98 Å²	98	72.1 Å²	72.1	48%	0.483	33%	0.333	S	S	.	.	H	α-helix	trans	-69	-43.8	178.1	-174.7	-171.8	-175.8	0	0	110.3	G51 Y52 K57 F58	G51-M54 PolarHBondContact O-N 3.37Å; Y52-M54 VanDerWaalsContact C-N 3.32Å; Y52-M54 PolarHBondContact O-N 3.35Å; M54-K57 PolarHBondContact O-N 3.37Å; M54-F58 WeakPolarHBondContact O-CB 3.48Å; M54-F58 PolarHBondContact O-N 3.23Å
55	I	93	Very high	86.4	Confident	12 Å²	12	68.7 Å²	68.7	6%	0.062	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-50.1	178.6	-59.4	163.9	0	0	0	109.9	L50 G51 Y52 K57 F58 I59 P171 I174 Y175 L178	L50-I55 WeakPolarHBondContact O-CD1 3.32Å; G51-I55 WeakPolarHBondContact O-CG1 3.49Å; G51-I55 PolarHBondContact O-N 3.47Å; Y52-I55 PolarHBondContact O-N 3.38Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 3.33Å; I55-F58 WeakPolarHBondContact O-CA 3.28Å; I55-F58 WeakPolarHBondContact O-CB 3.25Å; I55-F58 PolarHBondContact O-N 3.01Å; I55-I59 HydrophobicContact CG2-CG1 4.42Å; I55-I59 WeakPolarHBondContact O-CG1 3.41Å; I55-I59 PolarHBondContact O-N 2.97Å; I55-P171 HydrophobicContact CG2-CB 4.16Å; I55-I174 HydrophobicContact CD1-CG2 4.06Å; I55-I174 HydrophobicContact CG1-CG2 4.36Å; I55-I174 HydrophobicContact CG2-CB 3.86Å; I55-I174 HydrophobicContact CG2-CD1 3.97Å; I55-I174 HydrophobicContact CG2-CG2 3.77Å; I55-Y175 HydrophobicContact CD1-CD2 3.99Å; I55-Y175 HydrophobicContact CD1-CG 4.48Å; I55-L178 HydrophobicContact CD1-CD1 3.57Å; I55-L178 HydrophobicContact CG1-CD1 4.4Å
56	D	93.9	Very high	87	Confident	29 Å²	29	65.1 Å²	65.1	16%	0.155	31%	0.312	C	S	.	.	H	α-helix	trans	-54.5	-48.5	176.9	173.7	63.3	0	0	0	111.4	Y52 F58 I59 K60 P171	Y52-D56 HydrophobicContact CD1-CB 4.49Å; Y52-D56 HydrophobicContact CE1-CB 4.23Å; Y52-D56 VanDerWaalsContact O-CB 3.29Å; Y52-D56 WeakPolarHBondContact O-CB 3.41Å; Y52-D56 PolarHBondContact O-N 2.93Å; D56-F58 VanDerWaalsContact C-N 3.32Å; D56-F58 PolarHBondContact O-N 2.92Å; D56-I59 PolarHBondContact O-N 2.89Å; D56-K60 WeakPolarHBondContact O-CB 3.22Å; D56-K60 WeakPolarHBondContact O-CG 3.48Å; D56-K60 PolarHBondContact O-N 2.87Å; D56-K60 WeakPolarHBondContact OD1-CE 3.46Å; D56-K60 IonicContact OD1-NZ 3.38Å; D56-K60 PolarHBondContact OD1-NZ 3.41Å; D56-K60 WeakPolarHBondContact OD2-CE 3.25Å; D56-K60 IonicContact OD2-NZ 2.67Å; D56-K60 PolarHBondContact OD2-NZ 3.35Å; D56-P171 HydrophobicContact CB-CB 4.16Å; D56-P171 HydrophobicContact CB-CG 4.37Å
57	K	93.8	Very high	87.7	Confident	138 Å²	138	63.8 Å²	63.8	60%	0.6	31%	0.308	S	S	*	.	H	α-helix	trans	-62.4	-38.9	176.4	-174.5	175.9	-179.6	178.9	0	112.4	Q53 M54 I55 N61	Q53-K57 VanDerWaalsContact O-CB 3.27Å; Q53-K57 WeakPolarHBondContact O-CB 3.25Å; Q53-K57 PolarHBondContact O-N 3.12Å; M54-K57 PolarHBondContact O-N 3.37Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 3.33Å; K57-N61 WeakPolarHBondContact O-CB 3.32Å; K57-N61 PolarHBondContact O-N 2.85Å; K57-N61 PolarHBondContact O-ND2 3.42Å
58	F	94.6	Very high	88.6	Confident	101 Å²	101	65.8 Å²	65.8	44%	0.443	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-50.4	178	177	-109.6	0	0	0	111.4	M54 I55 D56 N61 L62 I75 I79	M54-F58 WeakPolarHBondContact O-CB 3.48Å; M54-F58 PolarHBondContact O-N 3.23Å; I55-F58 WeakPolarHBondContact O-CA 3.28Å; I55-F58 WeakPolarHBondContact O-CB 3.25Å; I55-F58 PolarHBondContact O-N 3.01Å; D56-F58 VanDerWaalsContact C-N 3.32Å; D56-F58 PolarHBondContact O-N 2.92Å; F58-N61 PolarHBondContact O-N 3.04Å; F58-L62 HydrophobicContact CD1-CD1 4.05Å; F58-L62 HydrophobicContact CE1-CD1 3.52Å; F58-L62 HydrophobicContact CE1-CG 4.38Å; F58-L62 HydrophobicContact CE2-CD1 4.3Å; F58-L62 HydrophobicContact CE2-CG 4.38Å; F58-L62 HydrophobicContact CZ-CD1 3.67Å; F58-L62 HydrophobicContact CZ-CD2 4.46Å; F58-L62 HydrophobicContact CZ-CG 4.22Å; F58-L62 PolarHBondContact O-N 3.37Å; F58-I75 HydrophobicContact CZ-CG2 4.27Å; F58-I79 HydrophobicContact CE1-CD1 3.91Å
59	I	96.2	Very high	89.8	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.1	-46	177.2	-59.7	-54.9	0	0	0	111	I55 D56 N61 L62 V63 L76 I79 C170 P171 I174	I55-I59 HydrophobicContact CG2-CG1 4.42Å; I55-I59 WeakPolarHBondContact O-CG1 3.41Å; I55-I59 PolarHBondContact O-N 2.97Å; D56-I59 PolarHBondContact O-N 2.89Å; I59-N61 PolarHBondContact O-N 3.03Å; I59-L62 HydrophobicContact CD1-CD1 4.37Å; I59-L62 WeakPolarHBondContact O-CB 3.28Å; I59-L62 PolarHBondContact O-N 3.33Å; I59-L62 VanDerWaalsContact O-N 3.08Å; I59-V63 HydrophobicContact CG2-CG2 4.43Å; I59-V63 WeakPolarHBondContact O-CG2 3.38Å; I59-V63 PolarHBondContact O-N 3.06Å; I59-L76 HydrophobicContact CD1-CD1 4.46Å; I59-L76 HydrophobicContact CG2-CD1 4.3Å; I59-I79 HydrophobicContact CD1-CD1 3.88Å; I59-I79 HydrophobicContact CD1-CG2 4.05Å; I59-C170 HydrophobicContact CD1-CB 4.39Å; I59-C170 HydrophobicContact CG1-CB 4.3Å; I59-C170 HydrophobicContact CG2-CB 4.32Å; I59-P171 HydrophobicContact CB-CG 4.05Å; I59-P171 HydrophobicContact CG1-CG 4.02Å; I59-P171 HydrophobicContact CG2-CG 4.36Å; I59-I174 HydrophobicContact CD1-CD1 3.72Å; I59-I174 HydrophobicContact CG1-CD1 4.1Å
60	K	95.7	Very high	91	Very high	68 Å²	68	67.7 Å²	67.7	30%	0.296	33%	0.332	S	S	.	.	H	α-helix	trans	-55.6	-39.5	175	-79.8	171.7	176.9	159.4	0	112.8	D56 K64 Y88	D56-K60 WeakPolarHBondContact O-CB 3.22Å; D56-K60 WeakPolarHBondContact O-CG 3.48Å; D56-K60 PolarHBondContact O-N 2.87Å; D56-K60 WeakPolarHBondContact OD1-CE 3.46Å; D56-K60 IonicContact OD1-NZ 3.38Å; D56-K60 PolarHBondContact OD1-NZ 3.41Å; D56-K60 WeakPolarHBondContact OD2-CE 3.25Å; D56-K60 IonicContact OD2-NZ 2.67Å; D56-K60 PolarHBondContact OD2-NZ 3.35Å; K60-K64 VanDerWaalsContact O-CG 3.27Å; K60-K64 WeakPolarHBondContact O-CG 3.49Å; K60-K64 PolarHBondContact O-N 2.95Å; K60-K64 VanDerWaalsContact O-N 3.12Å; K60-Y88 HydrophobicContact CB-CD1 4.17Å; K60-Y88 HydrophobicContact CB-CE1 4.33Å; K60-Y88 HydrophobicContact CD-CD2 4.48Å; K60-Y88 HydrophobicContact CD-CG 4.44Å; K60-Y88 HydrophobicContact CG-CD1 3.4Å; K60-Y88 HydrophobicContact CG-CD2 4.01Å; K60-Y88 HydrophobicContact CG-CE1 3.67Å; K60-Y88 HydrophobicContact CG-CE2 4.3Å; K60-Y88 HydrophobicContact CG-CG 3.56Å
61	N	95	Very high	91.9	Very high	76 Å²	76	70.8 Å²	70.8	41%	0.406	35%	0.348	S	S	.	.	H	α-helix	trans	-69.4	-41.4	176.9	-73.6	-19	0	0	0	111.9	K57 F58 I59 K64 V65	K57-N61 WeakPolarHBondContact O-CB 3.32Å; K57-N61 PolarHBondContact O-N 2.85Å; K57-N61 PolarHBondContact O-ND2 3.42Å; F58-N61 PolarHBondContact O-N 3.04Å; I59-N61 PolarHBondContact O-N 3.03Å; N61-K64 PolarHBondContact O-N 3.43Å; N61-V65 WeakPolarHBondContact O-CG2 3.32Å; N61-V65 PolarHBondContact O-N 3.42Å; N61-V65 VanDerWaalsContact O-N 3.15Å
62	L	96	Very high	92.4	Very high	13 Å²	13	70.9 Å²	70.9	7%	0.068	35%	0.349	C	S	.	.	H	α-helix	trans	-60.9	-45.5	175.7	-73.1	177.7	0	0	0	112	F58 I59 K64 V65 Y66 I75 L76 I79	F58-L62 HydrophobicContact CD1-CD1 4.05Å; F58-L62 HydrophobicContact CE1-CD1 3.52Å; F58-L62 HydrophobicContact CE1-CG 4.38Å; F58-L62 HydrophobicContact CE2-CD1 4.3Å; F58-L62 HydrophobicContact CE2-CG 4.38Å; F58-L62 HydrophobicContact CZ-CD1 3.67Å; F58-L62 HydrophobicContact CZ-CD2 4.46Å; F58-L62 HydrophobicContact CZ-CG 4.22Å; F58-L62 PolarHBondContact O-N 3.37Å; I59-L62 HydrophobicContact CD1-CD1 4.37Å; I59-L62 WeakPolarHBondContact O-CB 3.28Å; I59-L62 PolarHBondContact O-N 3.33Å; I59-L62 VanDerWaalsContact O-N 3.08Å; L62-K64 VanDerWaalsContact C-N 3.35Å; L62-K64 PolarHBondContact O-N 2.87Å; L62-V65 WeakPolarHBondContact O-CG2 3.33Å; L62-V65 PolarHBondContact O-N 3.38Å; L62-Y66 PolarHBondContact O-N 3.37Å; L62-I75 HydrophobicContact CD1-CG2 3.82Å; L62-I75 HydrophobicContact CD2-CB 4.38Å; L62-I75 HydrophobicContact CD2-CG2 4.24Å; L62-L76 HydrophobicContact CB-CB 4.18Å; L62-L76 HydrophobicContact CB-CD1 4Å; L62-L76 HydrophobicContact CB-CD2 4.35Å; L62-L76 HydrophobicContact CB-CG 4.39Å; L62-L76 HydrophobicContact CD1-CB 4.37Å; L62-L76 HydrophobicContact CD1-CD1 4.13Å; L62-I79 HydrophobicContact CD1-CD1 3.73Å
63	V	93.4	Very high	92.7	Very high	3 Å²	3	71.5 Å²	71.5	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-57.6	-47.4	174.7	171.4	0	0	0	0	110.9	I59 V65 Y66 L76 Y88 E94 W95 I98	I59-V63 HydrophobicContact CG2-CG2 4.43Å; I59-V63 WeakPolarHBondContact O-CG2 3.38Å; I59-V63 PolarHBondContact O-N 3.06Å; V63-V65 VanDerWaalsContact C-N 3.25Å; V63-V65 PolarHBondContact O-N 2.92Å; V63-Y66 WeakPolarHBondContact O-CB 3.44Å; V63-Y66 PolarHBondContact O-N 3.36Å; V63-Y66 VanDerWaalsContact O-N 3.16Å; V63-L76 HydrophobicContact CG2-CD2 3.82Å; V63-Y88 HydrophobicContact CB-CD1 4.22Å; V63-Y88 HydrophobicContact CB-CE1 4.11Å; V63-Y88 HydrophobicContact CG1-CE1 4.04Å; V63-Y88 HydrophobicContact CG2-CD1 3.87Å; V63-Y88 HydrophobicContact CG2-CE1 4.22Å; V63-E94 HydrophobicContact CG1-CB 3.89Å; V63-E94 HydrophobicContact CG1-CG 3.67Å; V63-E94 HydrophobicContact CG2-CG 4.36Å; V63-W95 HydrophobicContact CG1-CH2 4.24Å; V63-W95 HydrophobicContact CG1-CZ2 4.27Å; V63-W95 HydrophobicContact CG1-CZ3 4.44Å; V63-W95 HydrophobicContact CG2-CH2 4.37Å; V63-W95 HydrophobicContact CG2-CZ2 4.02Å; V63-I98 HydrophobicContact CG1-CD1 4.1Å
64	K	91.6	Very high	93.1	Very high	155 Å²	155	72.8 Å²	72.8	67%	0.674	36%	0.355	S	S	*	.	H	α-helix	trans	-59.3	-35.2	-179.5	-77.2	172.9	-176.5	178.1	0	113.4	K60 N61 L62	K60-K64 VanDerWaalsContact O-CG 3.27Å; K60-K64 WeakPolarHBondContact O-CG 3.49Å; K60-K64 PolarHBondContact O-N 2.95Å; K60-K64 VanDerWaalsContact O-N 3.12Å; N61-K64 PolarHBondContact O-N 3.43Å; L62-K64 VanDerWaalsContact C-N 3.35Å; L62-K64 PolarHBondContact O-N 2.87Å
65	V	91.1	Very high	93.4	Very high	55 Å²	55	71.2 Å²	71.2	33%	0.333	35%	0.348	S	S	.	.	H	α-helix	trans	-94.8	-0.4	-178.3	-55.9	0	0	0	0	113.3	N61 L62 V63 N67 T68 C69	N61-V65 WeakPolarHBondContact O-CG2 3.32Å; N61-V65 PolarHBondContact O-N 3.42Å; N61-V65 VanDerWaalsContact O-N 3.15Å; L62-V65 WeakPolarHBondContact O-CG2 3.33Å; L62-V65 PolarHBondContact O-N 3.38Å; V63-V65 VanDerWaalsContact C-N 3.25Å; V63-V65 PolarHBondContact O-N 2.92Å; V65-N67 VanDerWaalsContact C-N 3.33Å; V65-N67 PolarHBondContact O-N 3.3Å; V65-T68 WeakPolarHBondContact CA-OG1 3.31Å; V65-T68 PolarHBondContact O-N 2.87Å; V65-T68 PolarHBondContact O-OG1 2.94Å; V65-C69 HydrophobicContact CB-CB 4.08Å; V65-C69 HydrophobicContact CG2-CB 4.14Å; V65-C69 PolarHBondContact O-N 3.23Å
66	Y	91.1	Very high	93.6	Very high	15 Å²	15	70.7 Å²	70.7	6%	0.059	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-46.2	-170.9	-171.8	-92.3	0	0	0	113.2	L62 V63 T68 R73 L76 D77 W95 W115 P117	L62-Y66 PolarHBondContact O-N 3.37Å; V63-Y66 WeakPolarHBondContact O-CB 3.44Å; V63-Y66 PolarHBondContact O-N 3.36Å; V63-Y66 VanDerWaalsContact O-N 3.16Å; Y66-T68 PolarHBondContact O-N 3.48Å; Y66-R73 HydrophobicContact CD2-CB 4.05Å; Y66-R73 HydrophobicContact CD2-CG 4.12Å; Y66-R73 HydrophobicContact CE1-CG 4.1Å; Y66-R73 HydrophobicContact CE2-CB 4.01Å; Y66-R73 HydrophobicContact CE2-CG 3.59Å; Y66-R73 HydrophobicContact CG-CB 4.49Å; Y66-L76 HydrophobicContact CD2-CB 4.21Å; Y66-L76 HydrophobicContact CD2-CD2 3.56Å; Y66-L76 HydrophobicContact CD2-CG 4.39Å; Y66-L76 HydrophobicContact CE2-CB 4.36Å; Y66-L76 HydrophobicContact CE2-CD2 4.07Å; Y66-L76 HydrophobicContact CG-CD2 4.49Å; Y66-D77 WeakPolarHBondContact CE2-OD1 3.45Å; Y66-D77 PolarHBondContact OH-OD1 2.87Å; Y66-D77 PolarHBondContact OH-OD2 2.99Å; Y66-W95 HydrophobicContact CD1-CH2 4.08Å; Y66-W95 AromaticContact CD1-CZ3 3.77Å; Y66-W95 HydrophobicContact CD1-CZ3 3.77Å; Y66-W95 AromaticContact CD2-CH2 3.83Å; Y66-W95 HydrophobicContact CD2-CH2 3.83Å; Y66-W95 HydrophobicContact CD2-CZ3 4.35Å; Y66-W95 HydrophobicContact CE1-CZ3 4.33Å; Y66-W95 HydrophobicContact CE2-CH2 4.23Å; Y66-W95 AromaticContact CG-CH2 3.73Å; Y66-W95 HydrophobicContact CG-CH2 3.73Å; Y66-W95 AromaticContact CG-CZ3 3.79Å; Y66-W95 HydrophobicContact CG-CZ3 3.79Å; Y66-W115 HydrophobicContact CD1-CH2 4.18Å; Y66-W115 AromaticContact CE1-CH2 3.77Å; Y66-W115 HydrophobicContact CE1-CH2 3.77Å; Y66-P117 HydrophobicContact CD1-CG 4.49Å; Y66-P117 HydrophobicContact CE1-CB 4.44Å; Y66-P117 HydrophobicContact CE1-CG 3.79Å; Y66-P117 HydrophobicContact CE2-CB 4.4Å; Y66-P117 HydrophobicContact CE2-CG 3.91Å; Y66-P117 VanDerWaalsContact CZ-CG 3.45Å; Y66-P117 WeakPolarHBondContact OH-CB 3.44Å
67	N	85.7	Confident	93.7	Very high	76 Å²	76	71 Å²	71	41%	0.406	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.2	179.8	-79.1	2.8	0	0	0	114.6	V65 I98	V65-N67 VanDerWaalsContact C-N 3.33Å; V65-N67 PolarHBondContact O-N 3.3Å; N67-I98 WeakPolarHBondContact ND2-CG2 3.47Å
68	T	88.3	Confident	93.8	Very high	120 Å²	120	69.9 Å²	69.9	74%	0.736	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-22.4	-172.9	57.8	0	0	0	0	113.8	V65 Y66	V65-T68 WeakPolarHBondContact CA-OG1 3.31Å; V65-T68 PolarHBondContact O-N 2.87Å; V65-T68 PolarHBondContact O-OG1 2.94Å; Y66-T68 PolarHBondContact O-N 3.48Å
69	C	92	Very high	94	Very high	50 Å²	50	66 Å²	66	34%	0.338	33%	0.327	S	S	.	.			trans	-129.5	110.3	-172.6	-177.4	0	0	0	0	109.9	V65 I71 G72 R73	V65-C69 HydrophobicContact CB-CB 4.08Å; V65-C69 HydrophobicContact CG2-CB 4.14Å; V65-C69 PolarHBondContact O-N 3.23Å; C69-I71 VanDerWaalsContact C-N 3.3Å; C69-I71 PolarHBondContact O-N 3.46Å; C69-G72 PolarHBondContact O-N 3.17Å; C69-G72 VanDerWaalsContact O-N 3.15Å; C69-G72 PolarHBondContact SG-N 3.31Å; C69-G72 VanDerWaalsContact SG-N 3.39Å; C69-R73 PolarHBondContact O-N 2.91Å
70	E	94.1	Very high	94	Very high	144 Å²	144	66 Å²	66	67%	0.673	33%	0.327	S	S	*	.	H	α-helix	trans	-59.2	-41.1	179.8	-179.1	174.7	-161.3	0	0	112.4	R73 F74	E70-R73 PolarHBondContact O-N 3.31Å; E70-F74 WeakPolarHBondContact O-CB 3.33Å; E70-F74 PolarHBondContact O-N 2.88Å
71	I	95.6	Very high	93.9	Very high	122 Å²	122	66.1 Å²	66.1	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-64.5	-43.6	177.2	-61	170.2	0	0	0	110.3	C69 R73 F74 I75	C69-I71 VanDerWaalsContact C-N 3.3Å; C69-I71 PolarHBondContact O-N 3.46Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 3.28Å; I71-F74 PolarHBondContact O-N 2.95Å; I71-I75 HydrophobicContact CG2-CD1 3.82Å; I71-I75 HydrophobicContact CG2-CG1 4.43Å; I71-I75 VanDerWaalsContact O-CG1 3.28Å; I71-I75 WeakPolarHBondContact O-CG1 3.36Å; I71-I75 PolarHBondContact O-N 3.41Å
72	G	93.7	Very high	94	Very high	5 Å²	5	68.6 Å²	68.6	5%	0.052	34%	0.335	C	S	.	.	H	α-helix	trans	-61.7	-43.3	177.8	0	0	0	0	0	111.9	C69 I75 L76	C69-G72 PolarHBondContact O-N 3.17Å; C69-G72 VanDerWaalsContact O-N 3.15Å; C69-G72 PolarHBondContact SG-N 3.31Å; C69-G72 VanDerWaalsContact SG-N 3.39Å; G72-I75 PolarHBondContact O-N 3.31Å; G72-L76 WeakPolarHBondContact O-CB 3.39Å; G72-L76 PolarHBondContact O-N 3.44Å
73	R	94	Very high	94	Very high	107 Å²	107	69.7 Å²	69.7	40%	0.404	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-51.1	172.6	171.6	171.3	69.4	-172.7	1.6	112.2	Y66 C69 E70 I71 I75 L76 D77	Y66-R73 HydrophobicContact CD2-CB 4.05Å; Y66-R73 HydrophobicContact CD2-CG 4.12Å; Y66-R73 HydrophobicContact CE1-CG 4.1Å; Y66-R73 HydrophobicContact CE2-CB 4.01Å; Y66-R73 HydrophobicContact CE2-CG 3.59Å; Y66-R73 HydrophobicContact CG-CB 4.49Å; C69-R73 PolarHBondContact O-N 2.91Å; E70-R73 PolarHBondContact O-N 3.31Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 3.28Å; R73-I75 VanDerWaalsContact C-N 3.33Å; R73-I75 PolarHBondContact O-N 3.39Å; R73-L76 PolarHBondContact O-N 3Å; R73-D77 WeakPolarHBondContact CG-OD2 3.4Å; R73-D77 WeakPolarHBondContact O-CB 3.32Å; R73-D77 VanDerWaalsContact O-CG 3.29Å; R73-D77 PolarHBondContact O-N 3.49Å
74	F	96.7	Very high	94.1	Very high	142 Å²	142	72.1 Å²	72.1	62%	0.623	35%	0.352	S	S	*	.	H	α-helix	trans	-57.4	-45.9	179.6	174.7	-95.7	0	0	0	112.1	E70 I71 H78	E70-F74 WeakPolarHBondContact O-CB 3.33Å; E70-F74 PolarHBondContact O-N 2.88Å; I71-F74 PolarHBondContact O-N 2.95Å; F74-H78 WeakPolarHBondContact O-CB 3.39Å; F74-H78 PolarHBondContact O-N 2.76Å
75	I	97	Very high	94.3	Very high	65 Å²	65	64.8 Å²	64.8	33%	0.333	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-46.3	177.6	-67.4	168.1	0	0	0	110.4	F58 L62 I71 G72 R73 H78 I79	F58-I75 HydrophobicContact CZ-CG2 4.27Å; L62-I75 HydrophobicContact CD1-CG2 3.82Å; L62-I75 HydrophobicContact CD2-CB 4.38Å; L62-I75 HydrophobicContact CD2-CG2 4.24Å; I71-I75 HydrophobicContact CG2-CD1 3.82Å; I71-I75 HydrophobicContact CG2-CG1 4.43Å; I71-I75 VanDerWaalsContact O-CG1 3.28Å; I71-I75 WeakPolarHBondContact O-CG1 3.36Å; I71-I75 PolarHBondContact O-N 3.41Å; G72-I75 PolarHBondContact O-N 3.31Å; R73-I75 VanDerWaalsContact C-N 3.33Å; R73-I75 PolarHBondContact O-N 3.39Å; I75-H78 PolarHBondContact O-N 3.32Å; I75-I79 HydrophobicContact CG2-CD1 3.88Å; I75-I79 VanDerWaalsContact O-CG1 3.31Å; I75-I79 WeakPolarHBondContact O-CG1 3.39Å; I75-I79 PolarHBondContact O-N 3.3Å
76	L	96.4	Very high	94.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.3	-42.8	-178.6	-171.1	62.6	0	0	0	112.2	I59 L62 V63 Y66 G72 R73 H78 I79 H80 W95	I59-L76 HydrophobicContact CD1-CD1 4.46Å; I59-L76 HydrophobicContact CG2-CD1 4.3Å; L62-L76 HydrophobicContact CB-CB 4.18Å; L62-L76 HydrophobicContact CB-CD1 4Å; L62-L76 HydrophobicContact CB-CD2 4.35Å; L62-L76 HydrophobicContact CB-CG 4.39Å; L62-L76 HydrophobicContact CD1-CB 4.37Å; L62-L76 HydrophobicContact CD1-CD1 4.13Å; V63-L76 HydrophobicContact CG2-CD2 3.82Å; Y66-L76 HydrophobicContact CD2-CB 4.21Å; Y66-L76 HydrophobicContact CD2-CD2 3.56Å; Y66-L76 HydrophobicContact CD2-CG 4.39Å; Y66-L76 HydrophobicContact CE2-CB 4.36Å; Y66-L76 HydrophobicContact CE2-CD2 4.07Å; Y66-L76 HydrophobicContact CG-CD2 4.49Å; G72-L76 WeakPolarHBondContact O-CB 3.39Å; G72-L76 PolarHBondContact O-N 3.44Å; R73-L76 PolarHBondContact O-N 3Å; L76-H78 VanDerWaalsContact C-N 3.27Å; L76-H78 PolarHBondContact O-N 2.98Å; L76-I79 WeakPolarHBondContact O-CB 3.27Å; L76-I79 PolarHBondContact O-N 3.28Å; L76-I79 VanDerWaalsContact O-N 3.12Å; L76-H80 WeakPolarHBondContact CG-NE2 3.27Å; L76-H80 VanDerWaalsContact O-CG 3.29Å; L76-H80 PolarHBondContact O-N 3.06Å; L76-W95 HydrophobicContact CD2-CH2 3.85Å; L76-W95 HydrophobicContact CD2-CZ2 4.03Å
77	D	95.9	Very high	94.6	Very high	37 Å²	37	61.4 Å²	61.4	20%	0.198	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-39.7	176.6	-71.4	-25.2	0	0	0	111.3	Y66 R73 H80 I81 S119	Y66-D77 WeakPolarHBondContact CE2-OD1 3.45Å; Y66-D77 PolarHBondContact OH-OD1 2.87Å; Y66-D77 PolarHBondContact OH-OD2 2.99Å; R73-D77 WeakPolarHBondContact CG-OD2 3.4Å; R73-D77 WeakPolarHBondContact O-CB 3.32Å; R73-D77 VanDerWaalsContact O-CG 3.29Å; R73-D77 PolarHBondContact O-N 3.49Å; D77-H80 PolarHBondContact O-N 3Å; D77-I81 WeakPolarHBondContact O-CD1 3.38Å; D77-I81 VanDerWaalsContact O-CG1 3.27Å; D77-I81 WeakPolarHBondContact O-CG1 3.32Å; D77-I81 PolarHBondContact O-N 3.48Å; D77-I81 VanDerWaalsContact O-N 3.08Å; D77-S119 VanDerWaalsContact OD1-CB 3.3Å; D77-S119 WeakPolarHBondContact OD1-CB 3.45Å; D77-S119 PolarHBondContact OD1-OG 3.21Å
78	H	96.8	Very high	95	Very high	113 Å²	113	60.8 Å²	60.8	52%	0.523	29%	0.294	S	S	.	.	H	α-helix	trans	-64.5	-40.8	174.9	-164.6	75.6	0	0	0	112	F74 I75 L76 I81 Y82	F74-H78 WeakPolarHBondContact O-CB 3.39Å; F74-H78 PolarHBondContact O-N 2.76Å; I75-H78 PolarHBondContact O-N 3.32Å; L76-H78 VanDerWaalsContact C-N 3.27Å; L76-H78 PolarHBondContact O-N 2.98Å; H78-I81 PolarHBondContact O-N 3.04Å; H78-Y82 WeakPolarHBondContact O-CB 3.37Å; H78-Y82 PolarHBondContact O-N 3.18Å
79	I	97	Very high	95.1	Very high	19 Å²	19	56.6 Å²	56.6	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-49.3	175.3	-71.6	166.8	0	0	0	110.6	F58 I59 L62 I75 L76 I81 Y82 F83 C170 I174	F58-I79 HydrophobicContact CE1-CD1 3.91Å; I59-I79 HydrophobicContact CD1-CD1 3.88Å; I59-I79 HydrophobicContact CD1-CG2 4.05Å; L62-I79 HydrophobicContact CD1-CD1 3.73Å; I75-I79 HydrophobicContact CG2-CD1 3.88Å; I75-I79 VanDerWaalsContact O-CG1 3.31Å; I75-I79 WeakPolarHBondContact O-CG1 3.39Å; I75-I79 PolarHBondContact O-N 3.3Å; L76-I79 WeakPolarHBondContact O-CB 3.27Å; L76-I79 PolarHBondContact O-N 3.28Å; L76-I79 VanDerWaalsContact O-N 3.12Å; I79-I81 VanDerWaalsContact C-N 3.31Å; I79-I81 PolarHBondContact O-N 3.23Å; I79-Y82 PolarHBondContact O-N 2.92Å; I79-F83 HydrophobicContact CG2-CD2 3.96Å; I79-F83 WeakPolarHBondContact O-CD2 3.41Å; I79-F83 PolarHBondContact O-N 3.4Å; I79-C170 HydrophobicContact CG2-CB 4.2Å; I79-I174 HydrophobicContact CG2-CD1 3.87Å
80	H	96.5	Very high	94.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-55.4	-46.2	178.7	-65.8	167.8	0	0	0	112	L76 D77 D84 C85 G87 W95 S119 C120 C170	L76-H80 WeakPolarHBondContact CG-NE2 3.27Å; L76-H80 VanDerWaalsContact O-CG 3.29Å; L76-H80 PolarHBondContact O-N 3.06Å; D77-H80 PolarHBondContact O-N 3Å; H80-D84 VanDerWaalsContact O-CA 3.3Å; H80-D84 WeakPolarHBondContact O-CA 3.45Å; H80-D84 PolarHBondContact O-N 3.37Å; H80-C85 WeakPolarHBondContact CA-O 3.5Å; H80-C85 WeakPolarHBondContact CB-O 3.46Å; H80-C85 PolarHBondContact O-N 3.2Å; H80-C85 VanDerWaalsContact O-N 3.09Å; H80-G87 PolarHBondContact NE2-N 3.03Å; H80-W95 AromaticContact CE1-CZ2 3.97Å; H80-S119 WeakPolarHBondContact CB-O 3.41Å; H80-S119 PolarHBondContact ND1-OG 3.28Å; H80-C120 PolarHBondContact CE1-SG 2.82Å; H80-C120 PolarHBondContact ND1-SG 2.9Å; H80-C120 VanDerWaalsContact ND1-SG 3.45Å; H80-C170 VanDerWaalsContact CD2-SG 3.51Å
81	I	94.9	Very high	94.5	Very high	72 Å²	72	59.4 Å²	59.4	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-71.2	-41.3	-178.7	-66.2	165.6	0	0	0	111.7	D77 H78 I79	D77-I81 WeakPolarHBondContact O-CD1 3.38Å; D77-I81 VanDerWaalsContact O-CG1 3.27Å; D77-I81 WeakPolarHBondContact O-CG1 3.32Å; D77-I81 PolarHBondContact O-N 3.48Å; D77-I81 VanDerWaalsContact O-N 3.08Å; H78-I81 PolarHBondContact O-N 3.04Å; I79-I81 VanDerWaalsContact C-N 3.31Å; I79-I81 PolarHBondContact O-N 3.23Å
82	Y	96	Very high	94.2	Very high	127 Å²	127	53.7 Å²	53.7	50%	0.498	24%	0.239	S	C	.	.	H	α-helix	trans	-69.4	-44	-176.3	-176.8	-91.1	0	0	0	111.9	H78 I79 W177	H78-Y82 WeakPolarHBondContact O-CB 3.37Å; H78-Y82 PolarHBondContact O-N 3.18Å; I79-Y82 PolarHBondContact O-N 2.92Å; Y82-W177 HydrophobicContact CE1-CZ2 4.41Å
83	F	95.9	Very high	93.9	Very high	37 Å²	37	58.6 Å²	58.6	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-90.9	-2.2	-177.4	-70.1	-78.2	0	0	0	113.5	I79 C85 L173 I174 W177	I79-F83 HydrophobicContact CG2-CD2 3.96Å; I79-F83 WeakPolarHBondContact O-CD2 3.41Å; I79-F83 PolarHBondContact O-N 3.4Å; F83-C85 HydrophobicContact CB-CB 4.13Å; F83-C85 PolarHBondContact O-N 3.34Å; F83-L173 HydrophobicContact CB-CB 4.49Å; F83-L173 WeakPolarHBondContact O-CD1 3.4Å; F83-I174 HydrophobicContact CD1-CG1 4.1Å; F83-I174 HydrophobicContact CD2-CD1 4.41Å; F83-I174 HydrophobicContact CD2-CG1 3.75Å; F83-I174 HydrophobicContact CE1-CB 4.44Å; F83-I174 HydrophobicContact CE1-CG1 3.99Å; F83-I174 HydrophobicContact CE2-CD1 4.34Å; F83-I174 HydrophobicContact CE2-CG1 3.63Å; F83-I174 HydrophobicContact CG-CG1 3.99Å; F83-I174 HydrophobicContact CZ-CB 4.39Å; F83-I174 HydrophobicContact CZ-CG1 3.77Å; F83-I174 HydrophobicContact CZ-CG2 4.43Å; F83-W177 HydrophobicContact CD1-CB 4.32Å; F83-W177 HydrophobicContact CD1-CG 4.47Å; F83-W177 HydrophobicContact CE1-CB 3.66Å; F83-W177 AromaticContact CE1-CD2 3.77Å; F83-W177 HydrophobicContact CE1-CD2 3.77Å; F83-W177 HydrophobicContact CE1-CE3 4.07Å; F83-W177 AromaticContact CE1-CG 3.58Å; F83-W177 HydrophobicContact CE1-CG 3.58Å; F83-W177 HydrophobicContact CZ-CD2 4.11Å; F83-W177 HydrophobicContact CZ-CE3 4.04Å; F83-W177 HydrophobicContact CZ-CG 4.39Å
84	D	95.3	Very high	93.6	Very high	54 Å²	54	54.1 Å²	54.1	29%	0.289	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	48.4	-170.4	-69.4	-44.3	0	0	0	111.5	H80 K123 N166	H80-D84 VanDerWaalsContact O-CA 3.3Å; H80-D84 WeakPolarHBondContact O-CA 3.45Å; H80-D84 PolarHBondContact O-N 3.37Å; D84-K123 VanDerWaalsContact CG-NZ 3.27Å; D84-K123 WeakPolarHBondContact OD1-CE 3.28Å; D84-K123 IonicContact OD1-NZ 2.78Å; D84-K123 PolarHBondContact OD1-NZ 3.24Å; D84-K123 IonicContact OD2-NZ 3.98Å; D84-K123 PolarHBondContact OD2-NZ 3.36Å; D84-N166 VanDerWaalsContact C-ND2 3.34Å; D84-N166 WeakPolarHBondContact CA-ND2 3.43Å; D84-N166 VanDerWaalsContact O-CB 3.29Å; D84-N166 WeakPolarHBondContact O-CB 3.07Å
85	C	95.9	Very high	93.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.214	C	C	.	.			trans	-125.5	169.9	-175.7	71.8	0	0	0	0	110.7	H80 F83 D168 C170 L173	H80-C85 WeakPolarHBondContact CA-O 3.5Å; H80-C85 WeakPolarHBondContact CB-O 3.46Å; H80-C85 PolarHBondContact O-N 3.2Å; H80-C85 VanDerWaalsContact O-N 3.09Å; F83-C85 HydrophobicContact CB-CB 4.13Å; F83-C85 PolarHBondContact O-N 3.34Å; C85-D168 WeakPolarHBondContact CA-O 3.21Å; C85-D168 WeakPolarHBondContact CB-O 3.46Å; C85-C170 HydrophobicContact CB-CB 3.92Å; C85-C170 WeakPolarHBondContact CB-SG 3.5Å; C85-C170 WeakPolarHBondContact SG-CA 3.18Å; C85-C170 WeakPolarHBondContact SG-CB 3.33Å; C85-C170 CovalentContact SG-SG 2.03Å; C85-C170 PolarHBondContact SG-SG 3.43Å; C85-L173 HydrophobicContact CB-CD1 3.66Å
86	C	94.9	Very high	92.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.208	C	C	.	.			trans	-142.8	129.4	169	-177.5	0	0	0	0	111	H92 C120 N166 D168	C86-H92 VanDerWaalsContact SG-CE1 3.56Å; C86-H92 PolarHBondContact SG-ND1 3.12Å; C86-H92 VanDerWaalsContact SG-ND1 3.42Å; C86-C120 HydrophobicContact CB-CB 3.46Å; C86-C120 VanDerWaalsContact CB-CB 3.46Å; C86-C120 WeakPolarHBondContact CB-SG 3.31Å; C86-C120 WeakPolarHBondContact SG-CB 3.21Å; C86-C120 CovalentContact SG-SG 2.03Å; C86-C120 PolarHBondContact SG-SG 3.5Å; C86-N166 WeakPolarHBondContact CB-O 3.35Å; C86-D168 PolarHBondContact N-O 2.91Å; C86-D168 VanDerWaalsContact N-O 3.09Å
87	G	93.7	Very high	90.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	62.7	-158.1	170.8	0	0	0	0	0	114.3	H80 E94 C170	H80-G87 PolarHBondContact NE2-N 3.03Å; G87-E94 WeakPolarHBondContact CA-OE1 3.5Å; G87-C170 WeakPolarHBondContact O-CB 3.48Å; G87-C170 PolarHBondContact O-N 3.05Å; G87-C170 PolarHBondContact O-SG 3.16Å; G87-C170 VanDerWaalsContact O-SG 3.33Å
88	Y	93.8	Very high	89.4	Confident	62 Å²	62	50.7 Å²	50.7	24%	0.243	23%	0.232	C	C	.	.	S	Bend	trans	-114.1	-8	176.9	62.3	-106.5	0	0	0	113.5	K60 V63 E94	K60-Y88 HydrophobicContact CB-CD1 4.17Å; K60-Y88 HydrophobicContact CB-CE1 4.33Å; K60-Y88 HydrophobicContact CD-CD2 4.48Å; K60-Y88 HydrophobicContact CD-CG 4.44Å; K60-Y88 HydrophobicContact CG-CD1 3.4Å; K60-Y88 HydrophobicContact CG-CD2 4.01Å; K60-Y88 HydrophobicContact CG-CE1 3.67Å; K60-Y88 HydrophobicContact CG-CE2 4.3Å; K60-Y88 HydrophobicContact CG-CG 3.56Å; V63-Y88 HydrophobicContact CB-CD1 4.22Å; V63-Y88 HydrophobicContact CB-CE1 4.11Å; V63-Y88 HydrophobicContact CG1-CE1 4.04Å; V63-Y88 HydrophobicContact CG2-CD1 3.87Å; V63-Y88 HydrophobicContact CG2-CE1 4.22Å; Y88-E94 HydrophobicContact CD1-CB 4.18Å; Y88-E94 HydrophobicContact CD1-CG 4.16Å; Y88-E94 HydrophobicContact CE1-CB 3.34Å; Y88-E94 HydrophobicContact CE1-CG 3.8Å; Y88-E94 HydrophobicContact CE2-CB 4Å; Y88-E94 PolarHBondContact N-OE1 3.21Å; Y88-E94 WeakPolarHBondContact OH-CB 3.14Å
89	D	90.8	Very high	87.6	Confident	33 Å²	33	45.4 Å²	45.4	18%	0.176	21%	0.207	C	C	.	.	S	Bend	trans	-130.1	147.1	174	78.1	67.7	0	0	0	112.7	W91 H92 H93 E94	D89-W91 PolarHBondContact O-N 3.38Å; D89-W91 VanDerWaalsContact O-N 3.12Å; D89-W91 VanDerWaalsContact OD1-C 3.31Å; D89-W91 WeakPolarHBondContact OD1-CA 3.34Å; D89-W91 PolarHBondContact OD1-N 3.44Å; D89-W91 VanDerWaalsContact OD1-N 3.09Å; D89-H92 PolarHBondContact O-N 3.3Å; D89-H92 PolarHBondContact OD1-N 3.41Å; D89-H93 IonicContact OD1-CG 2.72Å; D89-H93 PolarHBondContact OD1-N 2.98Å; D89-H93 IonicContact OD1-ND1 2.88Å; D89-H93 PolarHBondContact OD1-ND1 2.88Å; D89-H93 WeakPolarHBondContact OD2-CB 3.33Å; D89-H93 PolarHBondContact OD2-N 3.15Å; D89-H93 IonicContact OD2-ND1 2.7Å; D89-E94 PolarHBondContact N-OE1 3.09Å
90	E	88.6	Confident	85.8	Confident	92 Å²	92	52.1 Å²	52.1	43%	0.43	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.9	-175.1	-70.1	171.4	-171.8	0	0	114	Y162 N167 P169	E90-Y162 PolarHBondContact O-OH 2.89Å; E90-N167 WeakPolarHBondContact CA-O 3.09Å; E90-P169 HydrophobicContact CG-CG 4.16Å
91	W	85.9	Confident	83.9	Confident	160 Å²	160	58.3 Å²	58.3	61%	0.606	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	2.3	-169	-63.1	103	0	0	0	112.7	D89 H93 Y162	D89-W91 PolarHBondContact O-N 3.38Å; D89-W91 VanDerWaalsContact O-N 3.12Å; D89-W91 VanDerWaalsContact OD1-C 3.31Å; D89-W91 WeakPolarHBondContact OD1-CA 3.34Å; D89-W91 PolarHBondContact OD1-N 3.44Å; D89-W91 VanDerWaalsContact OD1-N 3.09Å; W91-H93 VanDerWaalsContact C-N 3.26Å; W91-H93 WeakPolarHBondContact CB-CE1 3.49Å; W91-H93 VanDerWaalsContact CB-ND1 3.33Å; W91-H93 WeakPolarHBondContact CB-ND1 3.44Å; W91-H93 AromaticContact CG-CE1 3.8Å; W91-H93 PolarHBondContact O-N 3.25Å; W91-Y162 HydrophobicContact CE3-CE2 4.32Å
92	H	89.1	Confident	82.1	Confident	3 Å²	3	57.8 Å²	57.8	1%	0.014	26%	0.26	C	S	.	.			trans	59.6	30	177.9	-53.5	-52	0	0	0	113.8	C86 D89 E94 W95 V116 W161 N167	C86-H92 VanDerWaalsContact SG-CE1 3.56Å; C86-H92 PolarHBondContact SG-ND1 3.12Å; C86-H92 VanDerWaalsContact SG-ND1 3.42Å; D89-H92 PolarHBondContact O-N 3.3Å; D89-H92 PolarHBondContact OD1-N 3.41Å; H92-E94 WeakPolarHBondContact CA-OE2 3.32Å; H92-E94 PolarHBondContact O-N 2.86Å; H92-W95 PolarHBondContact O-N 3.16Å; H92-W95 VanDerWaalsContact O-N 3.15Å; H92-V116 HydrophobicContact CB-CG1 3.79Å; H92-W161 HydrophobicContact CB-CH2 4.2Å; H92-N167 PolarHBondContact NE2-OD1 3.08Å; H92-N167 VanDerWaalsContact NE2-OD1 3.07Å
93	H	86.7	Confident	80.1	Confident	108 Å²	108	53.8 Å²	53.8	50%	0.5	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-29.8	-178.1	-66.7	97.7	0	0	0	112.7	D89 W91 W95 I96	D89-H93 IonicContact OD1-CG 2.72Å; D89-H93 PolarHBondContact OD1-N 2.98Å; D89-H93 IonicContact OD1-ND1 2.88Å; D89-H93 PolarHBondContact OD1-ND1 2.88Å; D89-H93 WeakPolarHBondContact OD2-CB 3.33Å; D89-H93 PolarHBondContact OD2-N 3.15Å; D89-H93 IonicContact OD2-ND1 2.7Å; W91-H93 VanDerWaalsContact C-N 3.26Å; W91-H93 WeakPolarHBondContact CB-CE1 3.49Å; W91-H93 VanDerWaalsContact CB-ND1 3.33Å; W91-H93 WeakPolarHBondContact CB-ND1 3.44Å; W91-H93 AromaticContact CG-CE1 3.8Å; W91-H93 PolarHBondContact O-N 3.25Å; H93-W95 PolarHBondContact O-N 3.2Å; H93-I96 HydrophobicContact CB-CD1 4.26Å; H93-I96 WeakPolarHBondContact O-CB 3.29Å; H93-I96 PolarHBondContact O-N 3.44Å; H93-I96 VanDerWaalsContact O-N 3.16Å
94	E	88.4	Confident	78.2	Confident	12 Å²	12	60.4 Å²	60.4	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-58.8	-28.1	177	71.8	-90.6	-125.7	0	0	113	V63 G87 Y88 D89 H92	V63-E94 HydrophobicContact CG1-CB 3.89Å; V63-E94 HydrophobicContact CG1-CG 3.67Å; V63-E94 HydrophobicContact CG2-CG 4.36Å; G87-E94 WeakPolarHBondContact CA-OE1 3.5Å; Y88-E94 HydrophobicContact CD1-CB 4.18Å; Y88-E94 HydrophobicContact CD1-CG 4.16Å; Y88-E94 HydrophobicContact CE1-CB 3.34Å; Y88-E94 HydrophobicContact CE1-CG 3.8Å; Y88-E94 HydrophobicContact CE2-CB 4Å; Y88-E94 PolarHBondContact N-OE1 3.21Å; Y88-E94 WeakPolarHBondContact OH-CB 3.14Å; D89-E94 PolarHBondContact N-OE1 3.09Å; H92-E94 WeakPolarHBondContact CA-OE2 3.32Å; H92-E94 PolarHBondContact O-N 2.86Å
95	W	86.8	Confident	76.2	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-88.5	-14.7	-178.6	-57.5	105.4	0	0	0	113.3	V63 Y66 L76 H80 H92 H93 N97 I98 S99 W115 V116 P117	V63-W95 HydrophobicContact CG1-CH2 4.24Å; V63-W95 HydrophobicContact CG1-CZ2 4.27Å; V63-W95 HydrophobicContact CG1-CZ3 4.44Å; V63-W95 HydrophobicContact CG2-CH2 4.37Å; V63-W95 HydrophobicContact CG2-CZ2 4.02Å; Y66-W95 HydrophobicContact CD1-CH2 4.08Å; Y66-W95 AromaticContact CD1-CZ3 3.77Å; Y66-W95 HydrophobicContact CD1-CZ3 3.77Å; Y66-W95 AromaticContact CD2-CH2 3.83Å; Y66-W95 HydrophobicContact CD2-CH2 3.83Å; Y66-W95 HydrophobicContact CD2-CZ3 4.35Å; Y66-W95 HydrophobicContact CE1-CZ3 4.33Å; Y66-W95 HydrophobicContact CE2-CH2 4.23Å; Y66-W95 AromaticContact CG-CH2 3.73Å; Y66-W95 HydrophobicContact CG-CH2 3.73Å; Y66-W95 AromaticContact CG-CZ3 3.79Å; Y66-W95 HydrophobicContact CG-CZ3 3.79Å; L76-W95 HydrophobicContact CD2-CH2 3.85Å; L76-W95 HydrophobicContact CD2-CZ2 4.03Å; H80-W95 AromaticContact CE1-CZ2 3.97Å; H92-W95 PolarHBondContact O-N 3.16Å; H92-W95 VanDerWaalsContact O-N 3.15Å; H93-W95 PolarHBondContact O-N 3.2Å; W95-N97 PolarHBondContact O-N 3.26Å; W95-I98 HydrophobicContact CE3-CB 4.38Å; W95-I98 HydrophobicContact CE3-CD1 3.58Å; W95-I98 HydrophobicContact CE3-CG2 4.37Å; W95-I98 HydrophobicContact CZ3-CD1 3.76Å; W95-I98 PolarHBondContact O-N 2.93Å; W95-S99 WeakPolarHBondContact O-CB 3.24Å; W95-S99 PolarHBondContact O-N 3.03Å; W95-S99 PolarHBondContact O-OG 2.91Å; W95-W115 WeakPolarHBondContact CB-O 3.41Å; W95-W115 HydrophobicContact CE3-CE3 4.26Å; W95-W115 HydrophobicContact CE3-CH2 4.44Å; W95-W115 AromaticContact CE3-CZ3 3.62Å; W95-W115 HydrophobicContact CE3-CZ3 3.62Å; W95-W115 HydrophobicContact CZ3-CH2 4.36Å; W95-W115 AromaticContact CZ3-CZ3 3.93Å; W95-W115 HydrophobicContact CZ3-CZ3 3.93Å; W95-V116 HydrophobicContact CB-CG1 4.2Å; W95-V116 HydrophobicContact CG-CG1 3.91Å; W95-P117 HydrophobicContact CD2-CG 4.47Å; W95-P117 HydrophobicContact CE3-CG 4.24Å; W95-P117 HydrophobicContact CH2-CG 3.43Å; W95-P117 VanDerWaalsContact CH2-CG 3.43Å; W95-P117 HydrophobicContact CZ2-CG 3.7Å; W95-P117 HydrophobicContact CZ3-CG 3.73Å
96	I	77.3	Confident	74.2	Confident	38 Å²	38	70.1 Å²	70.1	20%	0.195	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-40.8	-179.1	-62.1	174.5	0	0	0	112	H93 I98 S99 R100	H93-I96 HydrophobicContact CB-CD1 4.26Å; H93-I96 WeakPolarHBondContact O-CB 3.29Å; H93-I96 PolarHBondContact O-N 3.44Å; H93-I96 VanDerWaalsContact O-N 3.16Å; I96-I98 VanDerWaalsContact C-N 3.33Å; I96-S99 PolarHBondContact O-OG 2.87Å; I96-R100 WeakPolarHBondContact O-CG 3.48Å; I96-R100 PolarHBondContact O-N 3.25Å
97	N	67.9	Low	72.1	Confident	111 Å²	111	77 Å²	77	59%	0.594	37%	0.37	S	S	*	.	H	α-helix	trans	-73.4	-32.9	179	-73.5	-29.2	0	0	0	111.6	W95	W95-N97 PolarHBondContact O-N 3.26Å
98	I	65.4	Low	70.1	Confident	22 Å²	22	80.1 Å²	80.1	11%	0.113	39%	0.392	C	S	.	.	H	α-helix	trans	-71	-44.2	179.3	-64.7	173.2	0	0	0	110.1	V63 N67 W95 I96 R100 Q101 V102 W115	V63-I98 HydrophobicContact CG1-CD1 4.1Å; N67-I98 WeakPolarHBondContact ND2-CG2 3.47Å; W95-I98 HydrophobicContact CE3-CB 4.38Å; W95-I98 HydrophobicContact CE3-CD1 3.58Å; W95-I98 HydrophobicContact CE3-CG2 4.37Å; W95-I98 HydrophobicContact CZ3-CD1 3.76Å; W95-I98 PolarHBondContact O-N 2.93Å; I96-I98 VanDerWaalsContact C-N 3.33Å; I98-R100 VanDerWaalsContact C-N 3.33Å; I98-R100 PolarHBondContact O-N 3.15Å; I98-Q101 WeakPolarHBondContact O-CB 3.46Å; I98-Q101 PolarHBondContact O-N 3.49Å; I98-V102 PolarHBondContact O-N 2.9Å; I98-W115 HydrophobicContact CG2-CE3 4.22Å; I98-W115 HydrophobicContact CG2-CZ3 3.68Å
99	S	58.9	Low	68.1	Low	1 Å²	1	86.1 Å²	86.1	1%	0.007	42%	0.423	C	S	.	.	H	α-helix	trans	-57.5	-45.8	179.8	69	0	0	0	0	111.3	W95 I96 Q101 V102 L103	W95-S99 WeakPolarHBondContact O-CB 3.24Å; W95-S99 PolarHBondContact O-N 3.03Å; W95-S99 PolarHBondContact O-OG 2.91Å; I96-S99 PolarHBondContact O-OG 2.87Å; S99-Q101 PolarHBondContact O-N 3.32Å; S99-Q101 VanDerWaalsContact O-N 3.17Å; S99-V102 PolarHBondContact O-N 3.49Å; S99-V102 VanDerWaalsContact O-N 3.11Å; S99-L103 WeakPolarHBondContact O-CB 3.36Å; S99-L103 WeakPolarHBondContact O-CD1 3.29Å; S99-L103 PolarHBondContact O-N 3.36Å
100	R	59.3	Low	66.4	Low	161 Å²	161	87.8 Å²	87.8	61%	0.608	43%	0.431	S	S	*	.	H	α-helix	trans	-59	-28.5	177.9	-72.2	177.7	180	174.7	0.9	113.7	I96 I98 K104	I96-R100 WeakPolarHBondContact O-CG 3.48Å; I96-R100 PolarHBondContact O-N 3.25Å; I98-R100 VanDerWaalsContact C-N 3.33Å; I98-R100 PolarHBondContact O-N 3.15Å; R100-K104 WeakPolarHBondContact O-CG 3.2Å; R100-K104 PolarHBondContact O-N 3.38Å
101	Q	57	Low	64.9	Low	130 Å²	130	87.7 Å²	87.7	61%	0.607	43%	0.432	S	S	*	.	H	α-helix	trans	-76.7	-42	176.3	-67.8	-179.5	-6.8	0	0	111.6	I98 S99	I98-Q101 WeakPolarHBondContact O-CB 3.46Å; I98-Q101 PolarHBondContact O-N 3.49Å; S99-Q101 PolarHBondContact O-N 3.32Å; S99-Q101 VanDerWaalsContact O-N 3.17Å
102	V	55.6	Low	63.7	Low	60 Å²	60	81.8 Å²	81.8	36%	0.364	41%	0.412	S	S	.	.	H	α-helix	trans	-65.1	-44.8	177.5	179.7	0	0	0	0	110.4	I98 S99 K104 N105	I98-V102 PolarHBondContact O-N 2.9Å; S99-V102 PolarHBondContact O-N 3.49Å; S99-V102 VanDerWaalsContact O-N 3.11Å; V102-K104 PolarHBondContact O-N 3Å; V102-N105 PolarHBondContact O-N 3.49Å
103	L	55.9	Low	62.5	Low	44 Å²	44	85.5 Å²	85.5	23%	0.23	43%	0.432	C	S	.	.	H	α-helix	trans	-62.1	-33.9	-178.3	-89.6	155	0	0	0	115.2	S99 N105 D106 I112	S99-L103 WeakPolarHBondContact O-CB 3.36Å; S99-L103 WeakPolarHBondContact O-CD1 3.29Å; S99-L103 PolarHBondContact O-N 3.36Å; L103-N105 PolarHBondContact O-N 2.97Å; L103-N105 VanDerWaalsContact O-N 3.15Å; L103-D106 PolarHBondContact O-N 3.39Å; L103-I112 HydrophobicContact CD1-CB 3.83Å; L103-I112 HydrophobicContact CD1-CG2 4.05Å; L103-I112 WeakPolarHBondContact CD1-O 3.42Å; L103-I112 HydrophobicContact CD2-CB 3.49Å; L103-I112 VanDerWaalsContact CD2-CB 3.49Å; L103-I112 HydrophobicContact CD2-CD1 3.81Å; L103-I112 HydrophobicContact CD2-CG1 3.95Å; L103-I112 HydrophobicContact CD2-CG2 4.46Å; L103-I112 HydrophobicContact CG-CB 4.01Å; L103-I112 HydrophobicContact CG-CD1 4.47Å; L103-I112 HydrophobicContact CG-CG2 4.5Å
104	K	54.8	Low	61.9	Low	176 Å²	176	83 Å²	83	77%	0.765	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.4	179.2	-84.1	-178.3	178.1	-174.7	0	113.1	R100 V102	R100-K104 WeakPolarHBondContact O-CG 3.2Å; R100-K104 PolarHBondContact O-N 3.38Å; V102-K104 PolarHBondContact O-N 3Å
105	N	53.9	Low	61.7	Low	142 Å²	142	83.7 Å²	83.7	76%	0.759	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-14.2	-177.3	-70.8	-8.1	0	0	0	113.6	V102 L103	V102-N105 PolarHBondContact O-N 3.49Å; L103-N105 PolarHBondContact O-N 2.97Å; L103-N105 VanDerWaalsContact O-N 3.15Å
106	D	53.4	Low	61.8	Low	115 Å²	115	83.6 Å²	83.6	62%	0.615	42%	0.423	S	S	*	.			trans	-118.1	89.3	-170.8	-141.3	-18	0	0	0	110.6	L103 S108	L103-D106 PolarHBondContact O-N 3.39Å; D106-S108 PolarHBondContact O-N 3.34Å
107	T	50.9	Low	62.4	Low	144 Å²	144	81.9 Å²	81.9	88%	0.883	41%	0.414	S	S	*	.			trans	-73.8	29	-175.4	46.8	0	0	0	0	114.2
108	S	52.7	Low	63.4	Low	66 Å²	66	79.7 Å²	79.7	46%	0.462	40%	0.402	S	S	.	.	S	Bend	trans	-85.5	149.4	175.3	63.9	0	0	0	0	110.7	D106 L110	D106-S108 PolarHBondContact O-N 3.34Å; S108-L110 PolarHBondContact O-N 2.88Å
109	Q	51	Low	64.8	Low	189 Å²	189	79.1 Å²	79.1	88%	0.883	40%	0.4	S	S	*	.	S	Bend	trans	-66.2	21.7	-166.4	-64.4	173.2	-26.8	0	0	116
110	L	55.4	Low	66.5	Low	67 Å²	67	79.1 Å²	79.1	35%	0.351	40%	0.4	S	S	.	.			trans	-105.8	114.1	-179.1	-65	164.2	0	0	0	108.5	S108 I112 I135	S108-L110 PolarHBondContact O-N 2.88Å; L110-I112 PolarHBondContact O-N 3.16Å; L110-I112 VanDerWaalsContact O-N 3.11Å; L110-I135 HydrophobicContact CB-CG2 4.3Å; L110-I135 HydrophobicContact CD2-CG2 3.64Å; L110-I135 HydrophobicContact CG-CG2 4.46Å
111	I	57.4	Low	68	Low	90 Å²	90	71.4 Å²	71.4	46%	0.462	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	96.5	171.1	-56.5	175.7	0	0	0	106.2	Y136	I111-Y136 PolarHBondContact O-N 2.72Å; I111-Y136 VanDerWaalsContact O-N 3.09Å
112	I	59.5	Low	69.7	Low	36 Å²	36	69 Å²	69	19%	0.185	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.7	168	-57.5	161.4	0	0	0	106.4	L103 L110 H114 W115 Y133 I135	L103-I112 HydrophobicContact CD1-CB 3.83Å; L103-I112 HydrophobicContact CD1-CG2 4.05Å; L103-I112 WeakPolarHBondContact CD1-O 3.42Å; L103-I112 HydrophobicContact CD2-CB 3.49Å; L103-I112 VanDerWaalsContact CD2-CB 3.49Å; L103-I112 HydrophobicContact CD2-CD1 3.81Å; L103-I112 HydrophobicContact CD2-CG1 3.95Å; L103-I112 HydrophobicContact CD2-CG2 4.46Å; L103-I112 HydrophobicContact CG-CB 4.01Å; L103-I112 HydrophobicContact CG-CD1 4.47Å; L103-I112 HydrophobicContact CG-CG2 4.5Å; L110-I112 PolarHBondContact O-N 3.16Å; L110-I112 VanDerWaalsContact O-N 3.11Å; I112-H114 WeakPolarHBondContact CG2-O 3.13Å; I112-W115 HydrophobicContact CG2-CB 4.34Å; I112-Y133 HydrophobicContact CD1-CD1 3.55Å; I112-Y133 HydrophobicContact CD1-CE1 3.9Å; I112-Y133 HydrophobicContact CG1-CD1 4.12Å; I112-Y133 HydrophobicContact CG2-CD1 3.97Å; I112-I135 HydrophobicContact CG1-CG1 4.33Å
113	D	64.9	Low	71.4	Confident	81 Å²	81	71.8 Å²	71.8	43%	0.433	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-37	180	-157	12.5	0	0	0	110.8	A134 Y136	D113-A134 PolarHBondContact N-O 3.42Å; D113-Y136 HydrophobicContact CB-CD2 3.8Å; D113-Y136 HydrophobicContact CB-CE2 3.63Å; D113-Y136 WeakPolarHBondContact OD2-CE2 3.44Å
114	H	74.2	Confident	72.9	Confident	55 Å²	55	76.6 Å²	76.6	26%	0.255	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.5	176.8	-56.8	-86.5	0	0	0	110.8	I112 A134 W161	I112-H114 WeakPolarHBondContact CG2-O 3.13Å; H114-A134 HydrophobicContact CB-CB 3.71Å; H114-A134 PolarHBondContact O-N 2.91Å; H114-W161 HydrophobicContact CB-CH2 3.65Å; H114-W161 HydrophobicContact CB-CZ2 3.81Å; H114-W161 HydrophobicContact CB-CZ3 4.04Å
115	W	83.4	Confident	74.5	Confident	28 Å²	28	72.1 Å²	72.1	11%	0.106	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141	174.9	169.5	79.4	0	0	0	108.5	Y66 W95 I98 I112 P117 G132 Y133	Y66-W115 HydrophobicContact CD1-CH2 4.18Å; Y66-W115 AromaticContact CE1-CH2 3.77Å; Y66-W115 HydrophobicContact CE1-CH2 3.77Å; W95-W115 WeakPolarHBondContact CB-O 3.41Å; W95-W115 HydrophobicContact CE3-CE3 4.26Å; W95-W115 HydrophobicContact CE3-CH2 4.44Å; W95-W115 AromaticContact CE3-CZ3 3.62Å; W95-W115 HydrophobicContact CE3-CZ3 3.62Å; W95-W115 HydrophobicContact CZ3-CH2 4.36Å; W95-W115 AromaticContact CZ3-CZ3 3.93Å; W95-W115 HydrophobicContact CZ3-CZ3 3.93Å; I98-W115 HydrophobicContact CG2-CE3 4.22Å; I98-W115 HydrophobicContact CG2-CZ3 3.68Å; I112-W115 HydrophobicContact CG2-CB 4.34Å; W115-P117 HydrophobicContact CH2-CG 4.02Å; W115-P117 HydrophobicContact CZ2-CG 4.43Å; W115-P117 HydrophobicContact CZ3-CG 4.5Å; W115-G132 CarbonylContact C-O 3.52Å; W115-G132 VanDerWaalsContact CA-O 3.31Å; W115-G132 WeakPolarHBondContact CA-O 3.46Å; W115-Y133 HydrophobicContact CB-CD1 4.47Å; W115-Y133 AromaticContact CD1-CD1 3.46Å; W115-Y133 VanDerWaalsContact CD1-CD1 3.46Å; W115-Y133 AromaticContact CD1-CE1 3.19Å; W115-Y133 AromaticContact CD1-CG 3.96Å; W115-Y133 AromaticContact CD1-CZ 3.5Å; W115-Y133 VanDerWaalsContact CD1-CZ 3.5Å; W115-Y133 HydrophobicContact CG-CD1 4.31Å; W115-Y133 HydrophobicContact CG-CE1 4.16Å; W115-Y133 AromaticContact NE1-CE1 3.7Å; W115-Y133 AromaticContact NE1-CZ 3.55Å
116	V	88.9	Confident	75.8	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.347	C	S	.	.			trans	-131	157.8	164.9	-68	0	0	0	0	109	H92 W95 C120 G132 W161 L165	H92-V116 HydrophobicContact CB-CG1 3.79Å; W95-V116 HydrophobicContact CB-CG1 4.2Å; W95-V116 HydrophobicContact CG-CG1 3.91Å; V116-C120 HydrophobicContact CB-CB 4.17Å; V116-C120 HydrophobicContact CG2-CB 3.95Å; V116-G132 PolarHBondContact N-O 2.81Å; V116-G132 WeakPolarHBondContact O-CA 3.42Å; V116-W161 HydrophobicContact CB-CZ2 4.32Å; V116-W161 HydrophobicContact CG1-CH2 4.02Å; V116-W161 HydrophobicContact CG1-CZ2 3.72Å; V116-W161 HydrophobicContact CG2-CZ2 3.91Å; V116-L165 HydrophobicContact CG1-CD1 4.28Å; V116-L165 HydrophobicContact CG2-CD1 3.56Å; V116-L165 HydrophobicContact CG2-CD2 3.45Å; V116-L165 VanDerWaalsContact CG2-CD2 3.45Å; V116-L165 HydrophobicContact CG2-CG 4.13Å
117	P	90	Very high	77.1	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	36%	0.355	C	S	.	.			trans	-50.8	145.6	169.3	-31.8	39.4	0	0	0	113.4	Y66 W95 W115 S119 C120	Y66-P117 HydrophobicContact CD1-CG 4.49Å; Y66-P117 HydrophobicContact CE1-CB 4.44Å; Y66-P117 HydrophobicContact CE1-CG 3.79Å; Y66-P117 HydrophobicContact CE2-CB 4.4Å; Y66-P117 HydrophobicContact CE2-CG 3.91Å; Y66-P117 VanDerWaalsContact CZ-CG 3.45Å; Y66-P117 WeakPolarHBondContact OH-CB 3.44Å; W95-P117 HydrophobicContact CD2-CG 4.47Å; W95-P117 HydrophobicContact CE3-CG 4.24Å; W95-P117 HydrophobicContact CH2-CG 3.43Å; W95-P117 VanDerWaalsContact CH2-CG 3.43Å; W95-P117 HydrophobicContact CZ2-CG 3.7Å; W95-P117 HydrophobicContact CZ3-CG 3.73Å; W115-P117 HydrophobicContact CH2-CG 4.02Å; W115-P117 HydrophobicContact CZ2-CG 4.43Å; W115-P117 HydrophobicContact CZ3-CG 4.5Å; P117-S119 VanDerWaalsContact CB-OG 3.28Å; P117-S119 WeakPolarHBondContact CB-OG 3.18Å; P117-S119 PolarHBondContact O-N 3.26Å; P117-S119 VanDerWaalsContact O-N 3.13Å; P117-C120 VanDerWaalsContact O-CB 3.27Å; P117-C120 WeakPolarHBondContact O-CB 3.47Å; P117-C120 PolarHBondContact O-N 2.93Å
118	N	89.9	Confident	78.5	Confident	66 Å²	66	63.6 Å²	63.6	35%	0.353	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-62.4	-21.6	174.5	-163.5	41.7	0	0	0	112.5	C120 C121 Q126 D128	N118-C120 PolarHBondContact O-N 3.18Å; N118-C121 VanDerWaalsContact O-CB 3.25Å; N118-C121 WeakPolarHBondContact O-CB 3.42Å; N118-C121 PolarHBondContact O-N 3.36Å; N118-C121 VanDerWaalsContact O-N 3.12Å; N118-Q126 PolarHBondContact ND2-O 3.14Å; N118-D128 PolarHBondContact OD1-O 2.92Å
119	S	93.9	Very high	79.4	Confident	10 Å²	10	67.5 Å²	67.5	7%	0.07	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-64	-21.7	173.1	57.2	0	0	0	0	113.6	D77 H80 P117 C121	D77-S119 VanDerWaalsContact OD1-CB 3.3Å; D77-S119 WeakPolarHBondContact OD1-CB 3.45Å; D77-S119 PolarHBondContact OD1-OG 3.21Å; H80-S119 WeakPolarHBondContact CB-O 3.41Å; H80-S119 PolarHBondContact ND1-OG 3.28Å; P117-S119 VanDerWaalsContact CB-OG 3.28Å; P117-S119 WeakPolarHBondContact CB-OG 3.18Å; P117-S119 PolarHBondContact O-N 3.26Å; P117-S119 VanDerWaalsContact O-N 3.13Å; S119-C121 VanDerWaalsContact C-N 3.28Å
120	C	93.9	Very high	80.5	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-78.1	-10.1	174.3	-70.8	0	0	0	0	113.9	H80 C86 V116 P117 N118 N166	H80-C120 PolarHBondContact CE1-SG 2.82Å; H80-C120 PolarHBondContact ND1-SG 2.9Å; H80-C120 VanDerWaalsContact ND1-SG 3.45Å; C86-C120 HydrophobicContact CB-CB 3.46Å; C86-C120 VanDerWaalsContact CB-CB 3.46Å; C86-C120 WeakPolarHBondContact CB-SG 3.31Å; C86-C120 WeakPolarHBondContact SG-CB 3.21Å; C86-C120 CovalentContact SG-SG 2.03Å; C86-C120 PolarHBondContact SG-SG 3.5Å; V116-C120 HydrophobicContact CB-CB 4.17Å; V116-C120 HydrophobicContact CG2-CB 3.95Å; P117-C120 VanDerWaalsContact O-CB 3.27Å; P117-C120 WeakPolarHBondContact O-CB 3.47Å; P117-C120 PolarHBondContact O-N 2.93Å; N118-C120 PolarHBondContact O-N 3.18Å; C120-N166 WeakPolarHBondContact O-CB 3.44Å; C120-N166 PolarHBondContact O-N 2.91Å
121	C	92	Very high	81.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-72.9	139.7	-179.7	-72.9	0	0	0	0	111.6	N118 S119 C131	N118-C121 VanDerWaalsContact O-CB 3.25Å; N118-C121 WeakPolarHBondContact O-CB 3.42Å; N118-C121 PolarHBondContact O-N 3.36Å; N118-C121 VanDerWaalsContact O-N 3.12Å; S119-C121 VanDerWaalsContact C-N 3.28Å; C121-C131 HydrophobicContact CB-CB 3.96Å; C121-C131 WeakPolarHBondContact CB-SG 3.38Å; C121-C131 VanDerWaalsContact SG-C 3.51Å; C121-C131 WeakPolarHBondContact SG-CB 3.33Å; C121-C131 CovalentContact SG-SG 2.02Å; C121-C131 PolarHBondContact SG-SG 3.26Å
122	K	92.4	Very high	82.9	Confident	79 Å²	79	56.6 Å²	56.6	34%	0.343	28%	0.28	S	S	.	.			trans	-53.6	145.5	169.2	-74.7	171.7	177.5	166.4	0	109.3	I124 Y125 Q126 I163 K164 L165 N166	K122-I124 PolarHBondContact O-N 3.11Å; K122-Y125 HydrophobicContact CB-CD2 4.12Å; K122-Y125 WeakPolarHBondContact O-CA 3.34Å; K122-Y125 PolarHBondContact O-N 3.06Å; K122-Q126 PolarHBondContact O-N 3.17Å; K122-I163 WeakPolarHBondContact CD-O 3.22Å; K122-I163 PolarHBondContact NZ-O 2.89Å; K122-K164 WeakPolarHBondContact CB-O 3.39Å; K122-K164 WeakPolarHBondContact CG-O 3.06Å; K122-K164 PolarHBondContact N-O 3.46Å; K122-L165 WeakPolarHBondContact CE-O 3.02Å; K122-N166 WeakPolarHBondContact CG-OD1 3.28Å
123	K	90.2	Very high	83.7	Confident	119 Å²	119	58.6 Å²	58.6	52%	0.517	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-46.4	-36.9	-179	-73.2	170.2	173.9	146.7	0	114.5	D84 Y125 Q126	D84-K123 VanDerWaalsContact CG-NZ 3.27Å; D84-K123 WeakPolarHBondContact OD1-CE 3.28Å; D84-K123 IonicContact OD1-NZ 2.78Å; D84-K123 PolarHBondContact OD1-NZ 3.24Å; D84-K123 IonicContact OD2-NZ 3.98Å; D84-K123 PolarHBondContact OD2-NZ 3.36Å; K123-Y125 PolarHBondContact O-N 3.15Å; K123-Q126 PolarHBondContact O-N 3.21Å
124	I	89	Confident	84.3	Confident	145 Å²	145	54.8 Å²	54.8	74%	0.744	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-65.2	-27.5	179.1	-55	171.7	0	0	0	112.4	K122	K122-I124 PolarHBondContact O-N 3.11Å
125	Y	87.9	Confident	83.8	Confident	81 Å²	81	54.4 Å²	54.4	32%	0.318	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-106.7	6	-178.2	-58.8	-70.2	0	0	0	113.6	K122 K123 S127 D128 K164	K122-Y125 HydrophobicContact CB-CD2 4.12Å; K122-Y125 WeakPolarHBondContact O-CA 3.34Å; K122-Y125 PolarHBondContact O-N 3.06Å; K123-Y125 PolarHBondContact O-N 3.15Å; Y125-S127 PolarHBondContact O-N 3.26Å; Y125-D128 WeakPolarHBondContact O-CB 3.3Å; Y125-D128 PolarHBondContact O-N 2.75Å; Y125-K164 HydrophobicContact CD1-CD 4.36Å; Y125-K164 HydrophobicContact CD1-CG 4.07Å; Y125-K164 HydrophobicContact CD2-CB 3.74Å; Y125-K164 HydrophobicContact CD2-CG 3.83Å; Y125-K164 HydrophobicContact CE1-CG 4.05Å; Y125-K164 HydrophobicContact CE2-CB 4.05Å; Y125-K164 HydrophobicContact CE2-CG 3.82Å; Y125-K164 HydrophobicContact CG-CB 4.1Å; Y125-K164 HydrophobicContact CG-CD 4.48Å; Y125-K164 HydrophobicContact CG-CG 3.97Å
126	Q	80.6	Confident	82.4	Confident	65 Å²	65	57.9 Å²	57.9	30%	0.304	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.8	-178.2	-78.2	178.6	-8.5	0	0	113.5	N118 K122 K123	N118-Q126 PolarHBondContact ND2-O 3.14Å; K122-Q126 PolarHBondContact O-N 3.17Å; K123-Q126 PolarHBondContact O-N 3.21Å
127	S	80.8	Confident	80.5	Confident	112 Å²	112	64.9 Å²	64.9	78%	0.783	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11	173.2	56.1	0	0	0	0	114.1	Y125 E129	Y125-S127 PolarHBondContact O-N 3.26Å; S127-E129 PolarHBondContact O-N 2.58Å
128	D	80.8	Confident	78.7	Confident	45 Å²	45	70.5 Å²	70.5	24%	0.241	34%	0.34	C	S	.	.			trans	-85.4	102	176.1	176.9	10	0	0	0	108.9	N118 Y125 F130 C131 K164	N118-D128 PolarHBondContact OD1-O 2.92Å; Y125-D128 WeakPolarHBondContact O-CB 3.3Å; Y125-D128 PolarHBondContact O-N 2.75Å; D128-F130 PolarHBondContact O-N 2.84Å; D128-F130 PolarHBondContact OD1-N 3.18Å; D128-F130 VanDerWaalsContact OD1-N 3.08Å; D128-C131 HydrophobicContact CB-CB 4Å; D128-C131 WeakPolarHBondContact O-CB 3.44Å; D128-C131 PolarHBondContact O-N 3.12Å; D128-K164 IonicContact OD2-NZ 3.33Å; D128-K164 PolarHBondContact OD2-NZ 3.45Å
129	E	70.4	Confident	76.8	Confident	149 Å²	149	71.9 Å²	71.9	70%	0.696	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.1	179.1	-64.5	-177.9	170.3	0	0	113.1	S127	S127-E129 PolarHBondContact O-N 2.58Å
130	F	74.1	Confident	74.9	Confident	115 Å²	115	76 Å²	76	50%	0.504	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	2.6	-179	-57.6	-73.7	0	0	0	113.4	D128 G132 Y133 I135	D128-F130 PolarHBondContact O-N 2.84Å; D128-F130 PolarHBondContact OD1-N 3.18Å; D128-F130 VanDerWaalsContact OD1-N 3.08Å; F130-G132 PolarHBondContact O-N 3Å; F130-Y133 PolarHBondContact O-N 3.38Å; F130-I135 HydrophobicContact CD1-CD1 4.13Å
131	C	82.1	Confident	73.1	Confident	0 Å²	0	81 Å²	81	0%	0	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-39.7	-175.7	165.3	0	0	0	0	112.5	C121 D128 Y133 W161 K164	C121-C131 HydrophobicContact CB-CB 3.96Å; C121-C131 WeakPolarHBondContact CB-SG 3.38Å; C121-C131 VanDerWaalsContact SG-C 3.51Å; C121-C131 WeakPolarHBondContact SG-CB 3.33Å; C121-C131 CovalentContact SG-SG 2.02Å; C121-C131 PolarHBondContact SG-SG 3.26Å; D128-C131 HydrophobicContact CB-CB 4Å; D128-C131 WeakPolarHBondContact O-CB 3.44Å; D128-C131 PolarHBondContact O-N 3.12Å; C131-Y133 PolarHBondContact O-N 3.35Å; C131-W161 VanDerWaalsContact O-CD1 3.31Å; C131-K164 HydrophobicContact CB-CD 4.48Å
132	G	81.3	Confident	71.7	Confident	2 Å²	2	86.8 Å²	86.8	2%	0.021	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.3	179.7	0	0	0	0	0	115.2	W115 V116 F130 W161	W115-G132 CarbonylContact C-O 3.52Å; W115-G132 VanDerWaalsContact CA-O 3.31Å; W115-G132 WeakPolarHBondContact CA-O 3.46Å; V116-G132 PolarHBondContact N-O 2.81Å; V116-G132 WeakPolarHBondContact O-CA 3.42Å; F130-G132 PolarHBondContact O-N 3Å; G132-W161 PolarHBondContact O-NE1 2.89Å
133	Y	77.3	Confident	70.5	Confident	77 Å²	77	88.1 Å²	88.1	30%	0.302	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.3	-174.6	-61	-96.3	0	0	0	112.4	I112 W115 F130 C131 I135 W161	I112-Y133 HydrophobicContact CD1-CD1 3.55Å; I112-Y133 HydrophobicContact CD1-CE1 3.9Å; I112-Y133 HydrophobicContact CG1-CD1 4.12Å; I112-Y133 HydrophobicContact CG2-CD1 3.97Å; W115-Y133 HydrophobicContact CB-CD1 4.47Å; W115-Y133 AromaticContact CD1-CD1 3.46Å; W115-Y133 VanDerWaalsContact CD1-CD1 3.46Å; W115-Y133 AromaticContact CD1-CE1 3.19Å; W115-Y133 AromaticContact CD1-CG 3.96Å; W115-Y133 AromaticContact CD1-CZ 3.5Å; W115-Y133 VanDerWaalsContact CD1-CZ 3.5Å; W115-Y133 HydrophobicContact CG-CD1 4.31Å; W115-Y133 HydrophobicContact CG-CE1 4.16Å; W115-Y133 AromaticContact NE1-CE1 3.7Å; W115-Y133 AromaticContact NE1-CZ 3.55Å; F130-Y133 PolarHBondContact O-N 3.38Å; C131-Y133 PolarHBondContact O-N 3.35Å; Y133-I135 PolarHBondContact O-N 3.03Å; Y133-W161 VanDerWaalsContact O-CD1 3.23Å
134	A	76.6	Confident	69.3	Low	1 Å²	1	89.1 Å²	89.1	1%	0.008	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	86.7	164.6	0	0	0	0	0	108.3	D113 H114 W161	D113-A134 PolarHBondContact N-O 3.42Å; H114-A134 HydrophobicContact CB-CB 3.71Å; H114-A134 PolarHBondContact O-N 2.91Å; A134-W161 HydrophobicContact CB-CB 4.06Å; A134-W161 HydrophobicContact CB-CD2 3.76Å; A134-W161 HydrophobicContact CB-CE3 4.25Å; A134-W161 HydrophobicContact CB-CG 3.69Å; A134-W161 VanDerWaalsContact N-CD1 3.31Å
135	I	63.5	Low	67.9	Low	48 Å²	48	85.9 Å²	85.9	25%	0.246	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.8	-178.8	-56.9	179.9	0	0	0	109.2	L110 I112 F130 Y133	L110-I135 HydrophobicContact CB-CG2 4.3Å; L110-I135 HydrophobicContact CD2-CG2 3.64Å; L110-I135 HydrophobicContact CG-CG2 4.46Å; I112-I135 HydrophobicContact CG1-CG1 4.33Å; F130-I135 HydrophobicContact CD1-CD1 4.13Å; Y133-I135 PolarHBondContact O-N 3.03Å
136	Y	55.2	Low	66.9	Low	100 Å²	100	85.8 Å²	85.8	39%	0.392	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.4	160.6	-70	-85.6	0	0	0	109.1	I111 D113 I138	I111-Y136 PolarHBondContact O-N 2.72Å; I111-Y136 VanDerWaalsContact O-N 3.09Å; D113-Y136 HydrophobicContact CB-CD2 3.8Å; D113-Y136 HydrophobicContact CB-CE2 3.63Å; D113-Y136 WeakPolarHBondContact OD2-CE2 3.44Å; Y136-I138 PolarHBondContact O-N 3.16Å; Y136-I138 VanDerWaalsContact O-N 3.15Å
137	H	49.7	Very low	66.1	Low	147 Å²	147	89.5 Å²	89.5	68%	0.681	44%	0.443	S	S	*	.			trans	-76.7	100.8	164.5	-68.8	-64.3	0	0	0	108.4
138	I	50.9	Low	65	Low	119 Å²	119	86.5 Å²	86.5	61%	0.61	42%	0.417	S	S	*	.	S	Bend	trans	70.7	139.5	162.7	-51.3	160.3	0	0	0	112.9	Y136 I140	Y136-I138 PolarHBondContact O-N 3.16Å; Y136-I138 VanDerWaalsContact O-N 3.15Å; I138-I140 PolarHBondContact O-N 3.41Å
139	P	49.7	Very low	63.8	Low	96 Å²	96	92.2 Å²	92.2	62%	0.623	44%	0.436	S	S	*	.			trans	-55.3	120.4	169.6	22.5	-32.5	0	0	0	109.2	N141	P139-N141 PolarHBondContact O-N 3.21Å
140	I	54.1	Low	63.8	Low	97 Å²	97	91.6 Å²	91.6	50%	0.497	43%	0.433	S	S	.	.			trans	-62	106.2	-179.5	-60.2	172.2	0	0	0	107.6	I138 Y144 F145	I138-I140 PolarHBondContact O-N 3.41Å; I140-Y144 HydrophobicContact CG2-CD1 4.27Å; I140-F145 HydrophobicContact CG2-CB 3.79Å; I140-F145 HydrophobicContact CG2-CD2 4.47Å
141	N	56.9	Low	63.2	Low	104 Å²	104	89 Å²	89	56%	0.556	43%	0.429	S	S	*	.			trans	-65.2	145.4	168.9	-170.9	7.1	0	0	0	108.7	P139 D143 Y144 F145	P139-N141 PolarHBondContact O-N 3.21Å; N141-D143 PolarHBondContact O-N 3.18Å; N141-Y144 WeakPolarHBondContact O-CB 3.45Å; N141-Y144 PolarHBondContact O-N 2.99Å; N141-F145 PolarHBondContact O-N 2.88Å
142	N	63.1	Low	61.6	Low	122 Å²	122	99.5 Å²	99.5	65%	0.652	47%	0.47	S	S	*	.	H	α-helix	trans	-49.9	-37.5	-178.7	-96.1	-5.5	0	0	0	112.3	Y144 F145 I146	N142-Y144 VanDerWaalsContact C-N 3.32Å; N142-Y144 PolarHBondContact O-N 3.31Å; N142-F145 WeakPolarHBondContact O-CB 3.3Å; N142-F145 PolarHBondContact O-N 3.3Å; N142-I146 VanDerWaalsContact O-CG1 3.29Å; N142-I146 WeakPolarHBondContact O-CG1 3.39Å; N142-I146 PolarHBondContact O-N 3.06Å
143	D	67.3	Low	59.6	Low	106 Å²	106	105.4 Å²	105.4	57%	0.567	50%	0.497	S	S	*	.	H	α-helix	trans	-63.3	-36.1	177.8	-67.9	-19.8	0	0	0	113.1	N141 K147	N141-D143 PolarHBondContact O-N 3.18Å; D143-K147 WeakPolarHBondContact O-CG 3.03Å; D143-K147 PolarHBondContact O-N 3.12Å
144	Y	63.6	Low	57.6	Low	141 Å²	141	106.6 Å²	106.6	55%	0.553	52%	0.515	S	S	*	.	H	α-helix	trans	-73.7	-36.8	177.2	-165.4	-105.6	0	0	0	111.1	I140 N141 N142 K147 L148	I140-Y144 HydrophobicContact CG2-CD1 4.27Å; N141-Y144 WeakPolarHBondContact O-CB 3.45Å; N141-Y144 PolarHBondContact O-N 2.99Å; N142-Y144 VanDerWaalsContact C-N 3.32Å; N142-Y144 PolarHBondContact O-N 3.31Å; Y144-K147 PolarHBondContact O-N 2.65Å; Y144-L148 HydrophobicContact CD1-CD1 3.6Å; Y144-L148 HydrophobicContact CD1-CG 4.21Å; Y144-L148 HydrophobicContact CE1-CD1 3.55Å; Y144-L148 HydrophobicContact CE1-CD2 4.45Å; Y144-L148 HydrophobicContact CE1-CG 4.03Å; Y144-L148 WeakPolarHBondContact O-CB 3.46Å; Y144-L148 WeakPolarHBondContact O-CG 3.21Å; Y144-L148 PolarHBondContact O-N 3.42Å
145	F	59.8	Low	56	Low	77 Å²	77	111.9 Å²	111.9	34%	0.338	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-43.1	172.8	-172.2	-96.4	0	0	0	112.1	I140 N141 N142 L148 R149 I155	I140-F145 HydrophobicContact CG2-CB 3.79Å; I140-F145 HydrophobicContact CG2-CD2 4.47Å; N141-F145 PolarHBondContact O-N 2.88Å; N142-F145 WeakPolarHBondContact O-CB 3.3Å; N142-F145 PolarHBondContact O-N 3.3Å; F145-L148 PolarHBondContact O-N 3.25Å; F145-R149 WeakPolarHBondContact O-CB 3.48Å; F145-R149 PolarHBondContact O-N 3.26Å; F145-I155 HydrophobicContact CZ-CD1 4.45Å
146	I	66.6	Low	54.9	Low	79 Å²	79	118.2 Å²	118.2	41%	0.405	56%	0.563	S	S	.	*	H	α-helix	trans	-64.4	-45.4	176.7	-67	165.5	0	0	0	110.3	N142 L148 R149 E150	N142-I146 VanDerWaalsContact O-CG1 3.29Å; N142-I146 WeakPolarHBondContact O-CG1 3.39Å; N142-I146 PolarHBondContact O-N 3.06Å; I146-L148 PolarHBondContact O-N 3.43Å; I146-R149 PolarHBondContact O-N 3.39Å; I146-E150 HydrophobicContact CG2-CG 4.31Å; I146-E150 WeakPolarHBondContact O-CB 3.45Å; I146-E150 WeakPolarHBondContact O-CG 3.08Å; I146-E150 PolarHBondContact O-N 3.2Å
147	K	64.6	Low	54.2	Low	142 Å²	142	117.9 Å²	117.9	62%	0.617	57%	0.568	S	S	*	*	H	α-helix	trans	-59.6	-42.2	174.9	-80.2	-177.8	177.6	178.3	0	113.1	D143 Y144 E150 S151	D143-K147 WeakPolarHBondContact O-CG 3.03Å; D143-K147 PolarHBondContact O-N 3.12Å; Y144-K147 PolarHBondContact O-N 2.65Å; K147-E150 PolarHBondContact O-N 3.44Å; K147-S151 WeakPolarHBondContact O-CB 3.11Å; K147-S151 PolarHBondContact O-N 3.46Å; K147-S151 PolarHBondContact O-OG 2.87Å
148	L	56.8	Low	54.1	Low	49 Å²	49	116.6 Å²	116.6	26%	0.257	57%	0.572	S	S	.	*	H	α-helix	trans	-60.8	-47.1	175.3	-79.4	165.7	0	0	0	110.9	Y144 F145 I146 E150 S151	Y144-L148 HydrophobicContact CD1-CD1 3.6Å; Y144-L148 HydrophobicContact CD1-CG 4.21Å; Y144-L148 HydrophobicContact CE1-CD1 3.55Å; Y144-L148 HydrophobicContact CE1-CD2 4.45Å; Y144-L148 HydrophobicContact CE1-CG 4.03Å; Y144-L148 WeakPolarHBondContact O-CB 3.46Å; Y144-L148 WeakPolarHBondContact O-CG 3.21Å; Y144-L148 PolarHBondContact O-N 3.42Å; F145-L148 PolarHBondContact O-N 3.25Å; I146-L148 PolarHBondContact O-N 3.43Å; L148-E150 PolarHBondContact O-N 3.15Å; L148-S151 PolarHBondContact O-N 3.29Å; L148-S151 PolarHBondContact O-OG 3.33Å
149	R	56.4	Low	54.4	Low	165 Å²	165	112.8 Å²	112.8	62%	0.623	55%	0.553	S	S	*	*	H	α-helix	trans	-61	-42.8	176.7	-177.2	-174.3	-87.1	-176.9	-6.4	112.4	F145 I146 S151	F145-R149 WeakPolarHBondContact O-CB 3.48Å; F145-R149 PolarHBondContact O-N 3.26Å; I146-R149 PolarHBondContact O-N 3.39Å; R149-S151 VanDerWaalsContact C-N 3.32Å; R149-S151 PolarHBondContact O-N 2.79Å
150	E	70	Confident	55.4	Low	137 Å²	137	116.2 Å²	116.2	64%	0.64	56%	0.558	S	S	*	*	H	α-helix	trans	-68.6	-29.6	179.3	-74.5	176.5	172.1	0	0	112.9	I146 K147 L148 Y152	I146-E150 HydrophobicContact CG2-CG 4.31Å; I146-E150 WeakPolarHBondContact O-CB 3.45Å; I146-E150 WeakPolarHBondContact O-CG 3.08Å; I146-E150 PolarHBondContact O-N 3.2Å; K147-E150 PolarHBondContact O-N 3.44Å; L148-E150 PolarHBondContact O-N 3.15Å; E150-Y152 PolarHBondContact O-N 3.01Å
151	S	62.4	Low	56.6	Low	61 Å²	61	112.6 Å²	112.6	43%	0.427	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	2.1	-178.4	69.7	0	0	0	0	115.3	K147 L148 R149 Q153	K147-S151 WeakPolarHBondContact O-CB 3.11Å; K147-S151 PolarHBondContact O-N 3.46Å; K147-S151 PolarHBondContact O-OG 2.87Å; L148-S151 PolarHBondContact O-N 3.29Å; L148-S151 PolarHBondContact O-OG 3.33Å; R149-S151 VanDerWaalsContact C-N 3.32Å; R149-S151 PolarHBondContact O-N 2.79Å; S151-Q153 PolarHBondContact O-N 2.73Å; S151-Q153 WeakPolarHBondContact OG-CG 3.21Å
152	Y	48.8	Very low	57.9	Low	220 Å²	220	110.9 Å²	110.9	86%	0.863	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	18.1	-171.9	-70.2	-87.6	0	0	0	114.5	E150	E150-Y152 PolarHBondContact O-N 3.01Å
153	Q	38.5	Very low	58.9	Low	125 Å²	125	109.9 Å²	109.9	58%	0.584	52%	0.518	S	S	*	.			trans	-69.8	134.3	169.6	-68.4	-159.4	-6	0	0	107.8	S151 I155	S151-Q153 PolarHBondContact O-N 2.73Å; S151-Q153 WeakPolarHBondContact OG-CG 3.21Å; Q153-I155 PolarHBondContact O-N 3.08Å; Q153-I155 VanDerWaalsContact O-N 3.1Å
154	P	36.4	Very low	59.9	Low	103 Å²	103	107 Å²	107	67%	0.669	50%	0.501	S	S	*	.			trans	-59.1	125.8	-177.7	26.3	-34	0	0	0	108	Y156	P154-Y156 HydrophobicContact CB-CD2 4.36Å; P154-Y156 PolarHBondContact O-N 3.42Å
155	I	41.2	Very low	61.2	Low	111 Å²	111	100.3 Å²	100.3	57%	0.569	48%	0.475	S	S	*	.			trans	-70.4	68.5	163.7	-54	169.7	0	0	0	105.2	F145 Q153	F145-I155 HydrophobicContact CZ-CD1 4.45Å; Q153-I155 PolarHBondContact O-N 3.08Å; Q153-I155 VanDerWaalsContact O-N 3.1Å
156	Y	40.5	Very low	62.8	Low	181 Å²	181	97.4 Å²	97.4	71%	0.71	46%	0.463	S	S	*	.			trans	-91.9	96.9	-177	-148.3	-92.1	0	0	0	106.2	P154	P154-Y156 HydrophobicContact CB-CD2 4.36Å; P154-Y156 PolarHBondContact O-N 3.42Å
157	I	41.9	Very low	64	Low	93 Å²	93	95 Å²	95	48%	0.477	45%	0.45	S	S	.	.				88.8	127.2	89.1	-78.8	162.1	0	0	0	110.4	N159	I157-N159 WeakPolarHBondContact O-CA 3.01Å; I157-N159 PolarHBondContact O-N 2.93Å
158	P	47.7	Very low	65.4	Low	120 Å²	120	92.6 Å²	92.6	78%	0.779	44%	0.444	S	S	*	.	S	Bend	trans	-50	127.5	169.6	22.9	-33.9	0	0	0	109.5
159	N	56	Low	67.2	Low	40 Å²	40	90.7 Å²	90.7	21%	0.214	44%	0.435	C	S	.	.			cis	-150.1	139.7	-28.3	-167.5	-16.2	0	0	0	101.5	I157 W161 Y162	I157-N159 WeakPolarHBondContact O-CA 3.01Å; I157-N159 PolarHBondContact O-N 2.93Å; N159-W161 HydrophobicContact CB-CB 4.21Å; N159-W161 CarbonylContact O-C 3.53Å; N159-W161 PolarHBondContact O-N 2.9Å; N159-Y162 PolarHBondContact O-N 3.37Å
160	K	70.3	Confident	69.1	Low	168 Å²	168	82.9 Å²	82.9	73%	0.73	41%	0.405	S	S	*	.	H	α-helix	trans	-51.4	-20.6	178.4	-81.1	-176.7	-179.7	176.1	0	112.6	I163 K164	K160-I163 WeakPolarHBondContact O-CG1 3.32Å; K160-K164 VanDerWaalsContact O-CG 3.32Å; K160-K164 WeakPolarHBondContact O-CG 3.44Å
161	W	79.6	Confident	70.3	Confident	20 Å²	20	76.3 Å²	76.3	8%	0.076	38%	0.375	C	S	.	.	H	α-helix	trans	-58.1	-56.1	168.4	-175.5	70.3	0	0	0	114.3	H92 H114 V116 C131 G132 Y133 A134 N159 I163 K164 L165	H92-W161 HydrophobicContact CB-CH2 4.2Å; H114-W161 HydrophobicContact CB-CH2 3.65Å; H114-W161 HydrophobicContact CB-CZ2 3.81Å; H114-W161 HydrophobicContact CB-CZ3 4.04Å; V116-W161 HydrophobicContact CB-CZ2 4.32Å; V116-W161 HydrophobicContact CG1-CH2 4.02Å; V116-W161 HydrophobicContact CG1-CZ2 3.72Å; V116-W161 HydrophobicContact CG2-CZ2 3.91Å; C131-W161 VanDerWaalsContact O-CD1 3.31Å; G132-W161 PolarHBondContact O-NE1 2.89Å; Y133-W161 VanDerWaalsContact O-CD1 3.23Å; A134-W161 HydrophobicContact CB-CB 4.06Å; A134-W161 HydrophobicContact CB-CD2 3.76Å; A134-W161 HydrophobicContact CB-CE3 4.25Å; A134-W161 HydrophobicContact CB-CG 3.69Å; A134-W161 VanDerWaalsContact N-CD1 3.31Å; N159-W161 HydrophobicContact CB-CB 4.21Å; N159-W161 CarbonylContact O-C 3.53Å; N159-W161 PolarHBondContact O-N 2.9Å; W161-I163 VanDerWaalsContact C-N 3.25Å; W161-I163 PolarHBondContact O-N 3.34Å; W161-I163 VanDerWaalsContact O-N 3.15Å; W161-K164 WeakPolarHBondContact O-CB 3.14Å; W161-K164 PolarHBondContact O-N 3.46Å; W161-L165 HydrophobicContact CD2-CD1 3.83Å; W161-L165 HydrophobicContact CE3-CD1 4.07Å; W161-L165 HydrophobicContact CH2-CD1 3.77Å; W161-L165 HydrophobicContact CZ2-CD1 3.53Å; W161-L165 HydrophobicContact CZ3-CD1 4.03Å
162	Y	84	Confident	71.8	Confident	69 Å²	69	77.6 Å²	77.6	27%	0.271	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-32.1	-173.7	-168.7	-102.5	0	0	0	113.3	E90 W91 N159 K164 L165 N167	E90-Y162 PolarHBondContact O-OH 2.89Å; W91-Y162 HydrophobicContact CE3-CE2 4.32Å; N159-Y162 PolarHBondContact O-N 3.37Å; Y162-K164 VanDerWaalsContact C-N 3.29Å; Y162-K164 PolarHBondContact O-N 3.09Å; Y162-L165 PolarHBondContact O-N 3.38Å; Y162-N167 WeakPolarHBondContact CD1-ND2 3.27Å; Y162-N167 HydrophobicContact CE1-CB 4.34Å; Y162-N167 WeakPolarHBondContact CE1-ND2 3.37Å; Y162-N167 HydrophobicContact CE2-CB 4.11Å; Y162-N167 VanDerWaalsContact CE2-CG 3.43Å; Y162-N167 VanDerWaalsContact CE2-OD1 3.28Å; Y162-N167 WeakPolarHBondContact CE2-OD1 3.39Å; Y162-N167 PolarHBondContact O-ND2 2.03Å
163	I	84.6	Confident	74	Confident	101 Å²	101	69.3 Å²	69.3	52%	0.518	34%	0.344	S	S	.	.	H	α-helix	trans	-72.8	-21.5	176.9	61.1	167.8	0	0	0	113.3	K122 K160 W161	K122-I163 WeakPolarHBondContact CD-O 3.22Å; K122-I163 PolarHBondContact NZ-O 2.89Å; K160-I163 WeakPolarHBondContact O-CG1 3.32Å; W161-I163 VanDerWaalsContact C-N 3.25Å; W161-I163 PolarHBondContact O-N 3.34Å; W161-I163 VanDerWaalsContact O-N 3.15Å
164	K	87.5	Confident	76.6	Confident	46 Å²	46	64.2 Å²	64.2	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-81.1	-19.6	177.7	-68	176.4	176.3	-163	0	112.7	K122 Y125 D128 C131 K160 W161 Y162	K122-K164 WeakPolarHBondContact CB-O 3.39Å; K122-K164 WeakPolarHBondContact CG-O 3.06Å; K122-K164 PolarHBondContact N-O 3.46Å; Y125-K164 HydrophobicContact CD1-CD 4.36Å; Y125-K164 HydrophobicContact CD1-CG 4.07Å; Y125-K164 HydrophobicContact CD2-CB 3.74Å; Y125-K164 HydrophobicContact CD2-CG 3.83Å; Y125-K164 HydrophobicContact CE1-CG 4.05Å; Y125-K164 HydrophobicContact CE2-CB 4.05Å; Y125-K164 HydrophobicContact CE2-CG 3.82Å; Y125-K164 HydrophobicContact CG-CB 4.1Å; Y125-K164 HydrophobicContact CG-CD 4.48Å; Y125-K164 HydrophobicContact CG-CG 3.97Å; D128-K164 IonicContact OD2-NZ 3.33Å; D128-K164 PolarHBondContact OD2-NZ 3.45Å; C131-K164 HydrophobicContact CB-CD 4.48Å; K160-K164 VanDerWaalsContact O-CG 3.32Å; K160-K164 WeakPolarHBondContact O-CG 3.44Å; W161-K164 WeakPolarHBondContact O-CB 3.14Å; W161-K164 PolarHBondContact O-N 3.46Å; Y162-K164 VanDerWaalsContact C-N 3.29Å; Y162-K164 PolarHBondContact O-N 3.09Å
165	L	91.5	Very high	79.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-93.5	153.7	-174.2	-56.9	-177.4	0	0	0	112.6	V116 K122 W161 Y162	V116-L165 HydrophobicContact CG1-CD1 4.28Å; V116-L165 HydrophobicContact CG2-CD1 3.56Å; V116-L165 HydrophobicContact CG2-CD2 3.45Å; V116-L165 VanDerWaalsContact CG2-CD2 3.45Å; V116-L165 HydrophobicContact CG2-CG 4.13Å; K122-L165 WeakPolarHBondContact CE-O 3.02Å; W161-L165 HydrophobicContact CD2-CD1 3.83Å; W161-L165 HydrophobicContact CE3-CD1 4.07Å; W161-L165 HydrophobicContact CH2-CD1 3.77Å; W161-L165 HydrophobicContact CZ2-CD1 3.53Å; W161-L165 HydrophobicContact CZ3-CD1 4.03Å; Y162-L165 PolarHBondContact O-N 3.38Å
166	N	92.7	Very high	81.6	Confident	16 Å²	16	63.9 Å²	63.9	9%	0.086	31%	0.307	C	S	.	.			trans	-77.4	110	161.6	-68.9	-24.5	0	0	0	107.9	D84 C86 C120 K122	D84-N166 VanDerWaalsContact C-ND2 3.34Å; D84-N166 WeakPolarHBondContact CA-ND2 3.43Å; D84-N166 VanDerWaalsContact O-CB 3.29Å; D84-N166 WeakPolarHBondContact O-CB 3.07Å; C86-N166 WeakPolarHBondContact CB-O 3.35Å; C120-N166 WeakPolarHBondContact O-CB 3.44Å; C120-N166 PolarHBondContact O-N 2.91Å; K122-N166 WeakPolarHBondContact CG-OD1 3.28Å
167	N	91.8	Very high	84	Confident	27 Å²	27	61.7 Å²	61.7	14%	0.144	30%	0.297	C	S	.	.			trans	-95.7	-4	-173.2	-59.9	-46	0	0	0	113.4	E90 H92 Y162	E90-N167 WeakPolarHBondContact CA-O 3.09Å; H92-N167 PolarHBondContact NE2-OD1 3.08Å; H92-N167 VanDerWaalsContact NE2-OD1 3.07Å; Y162-N167 WeakPolarHBondContact CD1-ND2 3.27Å; Y162-N167 HydrophobicContact CE1-CB 4.34Å; Y162-N167 WeakPolarHBondContact CE1-ND2 3.37Å; Y162-N167 HydrophobicContact CE2-CB 4.11Å; Y162-N167 VanDerWaalsContact CE2-CG 3.43Å; Y162-N167 VanDerWaalsContact CE2-OD1 3.28Å; Y162-N167 WeakPolarHBondContact CE2-OD1 3.39Å; Y162-N167 PolarHBondContact O-ND2 2.03Å
168	D	94.2	Very high	86.3	Confident	93 Å²	93	58 Å²	58	50%	0.497	28%	0.278	S	S	.	.	S	Bend	trans	-75.1	134.2	178.3	-63.5	-30.7	0	0	0	109.9	C85 C86 L173	C85-D168 WeakPolarHBondContact CA-O 3.21Å; C85-D168 WeakPolarHBondContact CB-O 3.46Å; C86-D168 PolarHBondContact N-O 2.91Å; C86-D168 VanDerWaalsContact N-O 3.09Å; D168-L173 HydrophobicContact CB-CD1 3.47Å; D168-L173 VanDerWaalsContact CB-CD1 3.47Å; D168-L173 HydrophobicContact CB-CG 4.11Å
169	P	95.7	Very high	88	Confident	9 Å²	9	54.6 Å²	54.6	6%	0.058	27%	0.266	C	S	.	.			trans	-72.8	132.1	-177.8	28.9	-32.7	0	0	0	110.2	E90 P171 E172 L173	E90-P169 HydrophobicContact CG-CG 4.16Å; P169-P171 VanDerWaalsContact C-CD 3.45Å; P169-E172 HydrophobicContact CG-CB 4.09Å; P169-E172 PolarHBondContact O-N 3.35Å; P169-L173 PolarHBondContact O-N 2.03Å
170	C	96.8	Very high	89.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-39.3	-176.5	-62.1	0	0	0	0	114.8	I59 I79 H80 C85 G87 E172 L173 I174	I59-C170 HydrophobicContact CD1-CB 4.39Å; I59-C170 HydrophobicContact CG1-CB 4.3Å; I59-C170 HydrophobicContact CG2-CB 4.32Å; I79-C170 HydrophobicContact CG2-CB 4.2Å; H80-C170 VanDerWaalsContact CD2-SG 3.51Å; C85-C170 HydrophobicContact CB-CB 3.92Å; C85-C170 WeakPolarHBondContact CB-SG 3.5Å; C85-C170 WeakPolarHBondContact SG-CA 3.18Å; C85-C170 WeakPolarHBondContact SG-CB 3.33Å; C85-C170 CovalentContact SG-SG 2.03Å; C85-C170 PolarHBondContact SG-SG 3.43Å; G87-C170 WeakPolarHBondContact O-CB 3.48Å; G87-C170 PolarHBondContact O-N 3.05Å; G87-C170 PolarHBondContact O-SG 3.16Å; G87-C170 VanDerWaalsContact O-SG 3.33Å; C170-E172 PolarHBondContact O-N 3.31Å; C170-L173 PolarHBondContact O-N 3.13Å; C170-I174 HydrophobicContact CB-CD1 4.19Å; C170-I174 WeakPolarHBondContact O-CB 3.46Å; C170-I174 WeakPolarHBondContact O-CD1 3.31Å; C170-I174 WeakPolarHBondContact O-CG1 3.19Å; C170-I174 PolarHBondContact O-N 3.08Å
171	P	95.2	Very high	90	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-37.2	-179.7	-26.7	35.5	0	0	0	113.8	Y52 I55 D56 I59 P169 Y175	Y52-P171 HydrophobicContact CE2-CB 3.91Å; I55-P171 HydrophobicContact CG2-CB 4.16Å; D56-P171 HydrophobicContact CB-CB 4.16Å; D56-P171 HydrophobicContact CB-CG 4.37Å; I59-P171 HydrophobicContact CB-CG 4.05Å; I59-P171 HydrophobicContact CG1-CG 4.02Å; I59-P171 HydrophobicContact CG2-CG 4.36Å; P169-P171 VanDerWaalsContact C-CD 3.45Å; P171-Y175 WeakPolarHBondContact O-CB 3.04Å; P171-Y175 PolarHBondContact O-N 2.88Å
172	E	93.1	Very high	90.2	Very high	88 Å²	88	53.4 Å²	53.4	41%	0.411	27%	0.265	S	S	.	.	H	α-helix	trans	-70.9	-49.1	179.9	-175.1	169.3	-173.4	0	0	111.3	Y52 P169 C170 I174 Y175 I176	Y52-E172 HydrophobicContact CE2-CB 4.42Å; P169-E172 HydrophobicContact CG-CB 4.09Å; P169-E172 PolarHBondContact O-N 3.35Å; C170-E172 PolarHBondContact O-N 3.31Å; E172-I174 VanDerWaalsContact C-N 3.35Å; E172-I174 PolarHBondContact O-N 2.98Å; E172-Y175 PolarHBondContact O-N 2.92Å; E172-I176 HydrophobicContact CG-CD1 3.83Å; E172-I176 VanDerWaalsContact O-CG1 3.3Å; E172-I176 WeakPolarHBondContact O-CG1 3.33Å; E172-I176 PolarHBondContact O-N 3.28Å
173	L	94	Very high	90.2	Very high	45 Å²	45	52.8 Å²	52.8	24%	0.236	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-38.6	179.2	-70.6	177.3	0	0	0	112.7	F83 C85 D168 P169 C170 W177	F83-L173 HydrophobicContact CB-CB 4.49Å; F83-L173 WeakPolarHBondContact O-CD1 3.4Å; C85-L173 HydrophobicContact CB-CD1 3.66Å; D168-L173 HydrophobicContact CB-CD1 3.47Å; D168-L173 VanDerWaalsContact CB-CD1 3.47Å; D168-L173 HydrophobicContact CB-CG 4.11Å; P169-L173 PolarHBondContact O-N 2.03Å; C170-L173 PolarHBondContact O-N 3.13Å; L173-W177 VanDerWaalsContact O-CB 3.22Å; L173-W177 WeakPolarHBondContact O-CB 3.36Å; L173-W177 PolarHBondContact O-N 3.46Å
174	I	93.8	Very high	90.3	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.097	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-43.9	174.3	-64.9	163.8	0	0	0	110.4	I55 I59 I79 F83 C170 E172 W177 L178	I55-I174 HydrophobicContact CD1-CG2 4.06Å; I55-I174 HydrophobicContact CG1-CG2 4.36Å; I55-I174 HydrophobicContact CG2-CB 3.86Å; I55-I174 HydrophobicContact CG2-CD1 3.97Å; I55-I174 HydrophobicContact CG2-CG2 3.77Å; I59-I174 HydrophobicContact CD1-CD1 3.72Å; I59-I174 HydrophobicContact CG1-CD1 4.1Å; I79-I174 HydrophobicContact CG2-CD1 3.87Å; F83-I174 HydrophobicContact CD1-CG1 4.1Å; F83-I174 HydrophobicContact CD2-CD1 4.41Å; F83-I174 HydrophobicContact CD2-CG1 3.75Å; F83-I174 HydrophobicContact CE1-CB 4.44Å; F83-I174 HydrophobicContact CE1-CG1 3.99Å; F83-I174 HydrophobicContact CE2-CD1 4.34Å; F83-I174 HydrophobicContact CE2-CG1 3.63Å; F83-I174 HydrophobicContact CG-CG1 3.99Å; F83-I174 HydrophobicContact CZ-CB 4.39Å; F83-I174 HydrophobicContact CZ-CG1 3.77Å; F83-I174 HydrophobicContact CZ-CG2 4.43Å; C170-I174 HydrophobicContact CB-CD1 4.19Å; C170-I174 WeakPolarHBondContact O-CB 3.46Å; C170-I174 WeakPolarHBondContact O-CD1 3.31Å; C170-I174 WeakPolarHBondContact O-CG1 3.19Å; C170-I174 PolarHBondContact O-N 3.08Å; E172-I174 VanDerWaalsContact C-N 3.35Å; E172-I174 PolarHBondContact O-N 2.98Å; I174-W177 PolarHBondContact O-N 3.12Å; I174-L178 HydrophobicContact CG2-CD1 3.95Å; I174-L178 HydrophobicContact CG2-CG 4.43Å; I174-L178 WeakPolarHBondContact O-CB 3.5Å; I174-L178 VanDerWaalsContact O-CG 3.29Å; I174-L178 WeakPolarHBondContact O-CG 2.92Å; I174-L178 PolarHBondContact O-N 2.82Å
175	Y	91.8	Very high	90.4	Very high	100 Å²	100	56.1 Å²	56.1	39%	0.392	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-43	179.8	-178.1	-106.8	0	0	0	111.9	Y52 I55 P171 E172 L178 G179	Y52-Y175 HydrophobicContact CD2-CD1 4.5Å; Y52-Y175 HydrophobicContact CD2-CG 4.24Å; I55-Y175 HydrophobicContact CD1-CD2 3.99Å; I55-Y175 HydrophobicContact CD1-CG 4.48Å; P171-Y175 WeakPolarHBondContact O-CB 3.04Å; P171-Y175 PolarHBondContact O-N 2.88Å; E172-Y175 PolarHBondContact O-N 2.92Å; Y175-L178 PolarHBondContact O-N 2.9Å; Y175-G179 PolarHBondContact O-N 3.33Å
176	I	90.5	Very high	90.3	Very high	107 Å²	107	57.1 Å²	57.1	55%	0.549	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-45.3	175	-67.8	167.3	0	0	0	110.8	E172 L178 G179	E172-I176 HydrophobicContact CG-CD1 3.83Å; E172-I176 VanDerWaalsContact O-CG1 3.3Å; E172-I176 WeakPolarHBondContact O-CG1 3.33Å; E172-I176 PolarHBondContact O-N 3.28Å; I176-L178 VanDerWaalsContact C-N 3.33Å; I176-L178 PolarHBondContact O-N 3.07Å; I176-G179 WeakPolarHBondContact O-CA 3.27Å; I176-G179 PolarHBondContact O-N 3.09Å; I176-G179 VanDerWaalsContact O-N 3.09Å
177	W	90.9	Very high	90.2	Very high	134 Å²	134	61.7 Å²	61.7	51%	0.508	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-39.1	178.5	175.9	89	0	0	0	112.6	Y82 F83 L173 I174 G179	Y82-W177 HydrophobicContact CE1-CZ2 4.41Å; F83-W177 HydrophobicContact CD1-CB 4.32Å; F83-W177 HydrophobicContact CD1-CG 4.47Å; F83-W177 HydrophobicContact CE1-CB 3.66Å; F83-W177 AromaticContact CE1-CD2 3.77Å; F83-W177 HydrophobicContact CE1-CD2 3.77Å; F83-W177 HydrophobicContact CE1-CE3 4.07Å; F83-W177 AromaticContact CE1-CG 3.58Å; F83-W177 HydrophobicContact CE1-CG 3.58Å; F83-W177 HydrophobicContact CZ-CD2 4.11Å; F83-W177 HydrophobicContact CZ-CE3 4.04Å; F83-W177 HydrophobicContact CZ-CG 4.39Å; L173-W177 VanDerWaalsContact O-CB 3.22Å; L173-W177 WeakPolarHBondContact O-CB 3.36Å; L173-W177 PolarHBondContact O-N 3.46Å; I174-W177 PolarHBondContact O-N 3.12Å; W177-G179 PolarHBondContact O-N 3.42Å
178	L	89.9	Confident	90.3	Very high	15 Å²	15	66.6 Å²	66.6	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-35.3	174.1	-79.1	165.9	0	0	0	111.4	L50 I55 I174 Y175 I176 E180 I181 P182	L50-L178 HydrophobicContact CB-CD1 4.06Å; L50-L178 HydrophobicContact CD1-CD2 4.19Å; L50-L178 HydrophobicContact CD2-CD1 4.22Å; I55-L178 HydrophobicContact CD1-CD1 3.57Å; I55-L178 HydrophobicContact CG1-CD1 4.4Å; I174-L178 HydrophobicContact CG2-CD1 3.95Å; I174-L178 HydrophobicContact CG2-CG 4.43Å; I174-L178 WeakPolarHBondContact O-CB 3.5Å; I174-L178 VanDerWaalsContact O-CG 3.29Å; I174-L178 WeakPolarHBondContact O-CG 2.92Å; I174-L178 PolarHBondContact O-N 2.82Å; Y175-L178 PolarHBondContact O-N 2.9Å; I176-L178 VanDerWaalsContact C-N 3.33Å; I176-L178 PolarHBondContact O-N 3.07Å; L178-E180 PolarHBondContact O-N 3.37Å; L178-E180 VanDerWaalsContact O-N 3.12Å; L178-I181 WeakPolarHBondContact O-CB 3.29Å; L178-I181 WeakPolarHBondContact O-CG1 3.39Å; L178-I181 PolarHBondContact O-N 3.09Å; L178-P182 WeakPolarHBondContact O-CD 3.3Å
179	G	84.8	Confident	90.2	Very high	50 Å²	50	63.1 Å²	63.1	52%	0.515	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	-118.6	174.2	0	0	0	0	0	112.4	Y175 I176 W177	Y175-G179 PolarHBondContact O-N 3.33Å; I176-G179 WeakPolarHBondContact O-CA 3.27Å; I176-G179 PolarHBondContact O-N 3.09Å; I176-G179 VanDerWaalsContact O-N 3.09Å; W177-G179 PolarHBondContact O-N 3.42Å
180	E	81.6	Confident	90.1	Very high	120 Å²	120	66.2 Å²	66.2	56%	0.561	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	2.3	178.8	-63.7	-177.2	170	0	0	114.2	L178 P182 V183 Y184	L178-E180 PolarHBondContact O-N 3.37Å; L178-E180 VanDerWaalsContact O-N 3.12Å; E180-P182 VanDerWaalsContact C-CD 3.46Å; E180-P182 VanDerWaalsContact C-N 3.32Å; E180-V183 WeakPolarHBondContact O-CA 3.41Å; E180-V183 WeakPolarHBondContact O-CB 2.91Å; E180-V183 PolarHBondContact O-N 3.11Å; E180-Y184 HydrophobicContact CB-CD2 4.1Å; E180-Y184 HydrophobicContact CB-CE2 3.54Å; E180-Y184 VanDerWaalsContact O-CD2 3.24Å; E180-Y184 WeakPolarHBondContact O-CD2 3.4Å; E180-Y184 PolarHBondContact O-N 2.85Å; E180-Y184 PolarHBondContact OE2-OH 3.34Å
181	I	86.1	Confident	90	Very high	67 Å²	67	72.7 Å²	72.7	34%	0.344	36%	0.361	S	S	.	.	H	α-helix	trans	-51.1	-45.9	177.7	-63.2	171.8	0	0	0	111.9	L178 V183 Y184 L185	L178-I181 WeakPolarHBondContact O-CB 3.29Å; L178-I181 WeakPolarHBondContact O-CG1 3.39Å; L178-I181 PolarHBondContact O-N 3.09Å; I181-V183 PolarHBondContact O-N 3.07Å; I181-Y184 PolarHBondContact O-N 3.09Å; I181-Y184 VanDerWaalsContact O-N 3.14Å; I181-L185 HydrophobicContact CG2-CD1 4.16Å; I181-L185 HydrophobicContact CG2-CG 4.28Å; I181-L185 WeakPolarHBondContact O-CG 3.11Å; I181-L185 PolarHBondContact O-N 3.05Å
182	P	83.6	Confident	90	Very high	16 Å²	16	76.4 Å²	76.4	10%	0.104	38%	0.384	C	S	.	.	H	α-helix	trans	-59.4	-35.2	177.2	-24.3	35.4	0	0	0	112.9	F49 L50 L178 E180 L186	F49-P182 HydrophobicContact CD1-CB 3.9Å; F49-P182 HydrophobicContact CE1-CB 3.91Å; L50-P182 HydrophobicContact CB-CB 4.48Å; L50-P182 HydrophobicContact CB-CG 3.9Å; L50-P182 HydrophobicContact CD1-CG 4.1Å; L178-P182 WeakPolarHBondContact O-CD 3.3Å; E180-P182 VanDerWaalsContact C-CD 3.46Å; E180-P182 VanDerWaalsContact C-N 3.32Å; P182-L186 WeakPolarHBondContact O-CG 3.28Å; P182-L186 PolarHBondContact O-N 3.05Å; P182-L186 VanDerWaalsContact O-N 3.09Å
183	V	83.9	Confident	90	Very high	55 Å²	55	72.9 Å²	72.9	33%	0.333	37%	0.367	S	S	.	.	H	α-helix	trans	-69.4	-43.9	176.2	-177.4	0	0	0	0	110.3	E180 I181 L185 L186 M187	E180-V183 WeakPolarHBondContact O-CA 3.41Å; E180-V183 WeakPolarHBondContact O-CB 2.91Å; E180-V183 PolarHBondContact O-N 3.11Å; I181-V183 PolarHBondContact O-N 3.07Å; V183-L185 VanDerWaalsContact C-N 3.31Å; V183-L185 PolarHBondContact O-N 2.87Å; V183-L186 WeakPolarHBondContact O-CB 3.46Å; V183-L186 PolarHBondContact O-N 3.28Å; V183-L186 VanDerWaalsContact O-N 3.16Å; V183-M187 HydrophobicContact CG1-SD 4.37Å; V183-M187 WeakPolarHBondContact O-CG 3.25Å; V183-M187 PolarHBondContact O-N 2.82Å
184	Y	87.6	Confident	89.9	Confident	134 Å²	134	73.8 Å²	73.8	53%	0.525	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-37.1	175.8	-63.1	-48.6	0	0	0	112.7	E180 I181 M187 F188	E180-Y184 HydrophobicContact CB-CD2 4.1Å; E180-Y184 HydrophobicContact CB-CE2 3.54Å; E180-Y184 VanDerWaalsContact O-CD2 3.24Å; E180-Y184 WeakPolarHBondContact O-CD2 3.4Å; E180-Y184 PolarHBondContact O-N 2.85Å; E180-Y184 PolarHBondContact OE2-OH 3.34Å; I181-Y184 PolarHBondContact O-N 3.09Å; I181-Y184 VanDerWaalsContact O-N 3.14Å; Y184-M187 HydrophobicContact CD1-SD 4.28Å; Y184-M187 PolarHBondContact O-N 2.02Å; Y184-F188 WeakPolarHBondContact O-CB 2.89Å; Y184-F188 PolarHBondContact O-N 3.36Å
185	L	88.6	Confident	89.8	Confident	83 Å²	83	75.6 Å²	75.6	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-64.2	-40.4	173.2	-71.6	175.7	0	0	0	112.1	F49 L50 I181 V183 F188 G189	F49-L185 HydrophobicContact CE1-CB 4.42Å; F49-L185 HydrophobicContact CE1-CD1 4.45Å; F49-L185 HydrophobicContact CZ-CB 4.41Å; F49-L185 HydrophobicContact CZ-CD1 4.21Å; L50-L185 HydrophobicContact CD1-CD1 4.47Å; I181-L185 HydrophobicContact CG2-CD1 4.16Å; I181-L185 HydrophobicContact CG2-CG 4.28Å; I181-L185 WeakPolarHBondContact O-CG 3.11Å; I181-L185 PolarHBondContact O-N 3.05Å; V183-L185 VanDerWaalsContact C-N 3.31Å; V183-L185 PolarHBondContact O-N 2.87Å; L185-F188 PolarHBondContact O-N 2.75Å; L185-G189 PolarHBondContact O-N 2.97Å
186	L	89.6	Confident	89.7	Confident	22 Å²	22	74.8 Å²	74.8	12%	0.115	39%	0.389	C	S	.	.	H	α-helix	trans	-64.8	-43.5	174.3	-74.5	172.7	0	0	0	112	L38 V41 Y42 P182 V183 F188 G189 L190	L38-L186 HydrophobicContact CD2-CD2 3.74Å; V41-L186 HydrophobicContact CB-CD2 4.05Å; V41-L186 HydrophobicContact CG1-CD2 3.67Å; Y42-L186 HydrophobicContact CD2-CD1 3.91Å; P182-L186 WeakPolarHBondContact O-CG 3.28Å; P182-L186 PolarHBondContact O-N 3.05Å; P182-L186 VanDerWaalsContact O-N 3.09Å; V183-L186 WeakPolarHBondContact O-CB 3.46Å; V183-L186 PolarHBondContact O-N 3.28Å; V183-L186 VanDerWaalsContact O-N 3.16Å; L186-F188 VanDerWaalsContact C-N 3.35Å; L186-G189 PolarHBondContact O-N 3.23Å; L186-L190 PolarHBondContact O-N 3.12Å
187	M	91	Very high	89.6	Confident	111 Å²	111	71 Å²	71	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-42.6	175.7	-70.7	178.7	70.1	0	0	111.6	V183 Y184 L190 M191	V183-M187 HydrophobicContact CG1-SD 4.37Å; V183-M187 WeakPolarHBondContact O-CG 3.25Å; V183-M187 PolarHBondContact O-N 2.82Å; Y184-M187 HydrophobicContact CD1-SD 4.28Å; Y184-M187 PolarHBondContact O-N 2.02Å; M187-L190 WeakPolarHBondContact O-CB 3.36Å; M187-L190 PolarHBondContact O-N 3.29Å; M187-M191 WeakPolarHBondContact O-CG 3.2Å; M187-M191 PolarHBondContact O-N 3.19Å
188	F	93.3	Very high	89.6	Confident	131 Å²	131	69.7 Å²	69.7	58%	0.575	37%	0.372	S	S	*	.	H	α-helix	trans	-62.5	-44.9	175	-178.5	-100.1	0	0	0	111.5	Y184 L185 L186 L190 M191 V192	Y184-F188 WeakPolarHBondContact O-CB 2.89Å; Y184-F188 PolarHBondContact O-N 3.36Å; L185-F188 PolarHBondContact O-N 2.75Å; L186-F188 VanDerWaalsContact C-N 3.35Å; F188-L190 VanDerWaalsContact C-N 3.33Å; F188-L190 PolarHBondContact O-N 3.04Å; F188-M191 WeakPolarHBondContact O-CB 3.46Å; F188-M191 PolarHBondContact O-N 2.94Å; F188-M191 VanDerWaalsContact O-N 3.17Å; F188-V192 HydrophobicContact CD1-CG2 4.3Å; F188-V192 HydrophobicContact CE1-CG2 3.88Å; F188-V192 HydrophobicContact CZ-CG2 4.01Å; F188-V192 WeakPolarHBondContact O-CG2 3.18Å; F188-V192 PolarHBondContact O-N 2.86Å
189	G	92.5	Very high	89.6	Confident	20 Å²	20	76.8 Å²	76.8	21%	0.206	40%	0.399	C	S	.	.	H	α-helix	trans	-56.5	-45.7	173.5	0	0	0	0	0	112.2	L185 L186 M191 V192 I193	L185-G189 PolarHBondContact O-N 2.97Å; L186-G189 PolarHBondContact O-N 3.23Å; G189-M191 PolarHBondContact O-N 3.09Å; G189-V192 PolarHBondContact O-N 3.45Å; G189-I193 VanDerWaalsContact O-CG1 3.25Å; G189-I193 WeakPolarHBondContact O-CG1 3.15Å; G189-I193 PolarHBondContact O-N 3.45Å
190	L	94	Very high	89.7	Confident	74 Å²	74	75.1 Å²	75.1	39%	0.387	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-44.4	175.7	-177.1	66.4	0	0	0	111.7	M35 L38 L186 M187 F188 V192 I193 V194	M35-L190 HydrophobicContact CE-CD1 3.85Å; M35-L190 HydrophobicContact SD-CD1 3.66Å; L38-L190 HydrophobicContact CD1-CB 4.14Å; L38-L190 HydrophobicContact CD1-CD1 4.45Å; L186-L190 PolarHBondContact O-N 3.12Å; M187-L190 WeakPolarHBondContact O-CB 3.36Å; M187-L190 PolarHBondContact O-N 3.29Å; F188-L190 VanDerWaalsContact C-N 3.33Å; F188-L190 PolarHBondContact O-N 3.04Å; L190-V192 VanDerWaalsContact C-N 3.35Å; L190-V192 PolarHBondContact O-N 2.7Å; L190-I193 PolarHBondContact O-N 3.42Å; L190-V194 HydrophobicContact CD1-CG2 4.35Å; L190-V194 HydrophobicContact CG-CG2 4.48Å; L190-V194 WeakPolarHBondContact O-CG2 3.21Å; L190-V194 PolarHBondContact O-N 3.15Å
191	M	95	Very high	89.9	Confident	135 Å²	135	73.6 Å²	73.6	67%	0.665	37%	0.373	S	S	*	.	H	α-helix	trans	-58.8	-44.5	176.8	-72.5	-127	-69.9	0	0	112.1	M187 F188 G189 V194 A195	M187-M191 WeakPolarHBondContact O-CG 3.2Å; M187-M191 PolarHBondContact O-N 3.19Å; F188-M191 WeakPolarHBondContact O-CB 3.46Å; F188-M191 PolarHBondContact O-N 2.94Å; F188-M191 VanDerWaalsContact O-N 3.17Å; G189-M191 PolarHBondContact O-N 3.09Å; M191-V194 PolarHBondContact O-N 3.15Å; M191-A195 VanDerWaalsContact O-CB 3.28Å; M191-A195 WeakPolarHBondContact O-CB 3.48Å; M191-A195 PolarHBondContact O-N 3.31Å
192	V	93.8	Very high	90	Very high	78 Å²	78	77.5 Å²	77.5	47%	0.473	39%	0.385	S	S	.	.	H	α-helix	trans	-62.6	-43.9	178.4	173.2	0	0	0	0	111.3	F188 G189 L190 A195 R196	F188-V192 HydrophobicContact CD1-CG2 4.3Å; F188-V192 HydrophobicContact CE1-CG2 3.88Å; F188-V192 HydrophobicContact CZ-CG2 4.01Å; F188-V192 WeakPolarHBondContact O-CG2 3.18Å; F188-V192 PolarHBondContact O-N 2.86Å; G189-V192 PolarHBondContact O-N 3.45Å; L190-V192 VanDerWaalsContact C-N 3.35Å; L190-V192 PolarHBondContact O-N 2.7Å; V192-A195 PolarHBondContact O-N 2.79Å; V192-R196 WeakPolarHBondContact O-CB 3.4Å; V192-R196 PolarHBondContact O-N 2.97Å
193	I	92.8	Very high	90	Very high	14 Å²	14	78.5 Å²	78.5	7%	0.072	40%	0.395	C	S	.	.	H	α-helix	trans	-62.6	-46	178.9	-65.4	165.7	0	0	0	110.8	F31 E34 M35 L38 G189 L190 R196 I197	F31-I193 HydrophobicContact CD2-CG2 3.4Å; F31-I193 VanDerWaalsContact CD2-CG2 3.4Å; F31-I193 HydrophobicContact CE2-CG2 3.57Å; F31-I193 HydrophobicContact CG-CG2 4.5Å; E34-I193 HydrophobicContact CB-CD1 3.72Å; E34-I193 HydrophobicContact CB-CG1 4.12Å; E34-I193 WeakPolarHBondContact OE2-CG1 3.33Å; M35-I193 HydrophobicContact CG-CG2 4.48Å; M35-I193 HydrophobicContact SD-CG2 4.25Å; L38-I193 HydrophobicContact CD1-CD1 3.3Å; L38-I193 HydrophobicContact CG-CD1 3.89Å; G189-I193 VanDerWaalsContact O-CG1 3.25Å; G189-I193 WeakPolarHBondContact O-CG1 3.15Å; G189-I193 PolarHBondContact O-N 3.45Å; L190-I193 PolarHBondContact O-N 3.42Å; I193-R196 PolarHBondContact O-N 2.86Å; I193-I197 PolarHBondContact O-N 2.92Å
194	V	92.3	Very high	90	Very high	64 Å²	64	77 Å²	77	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-65.7	-44	178.8	174.1	0	0	0	0	111.1	L190 M191 R196 I197 L198	L190-V194 HydrophobicContact CD1-CG2 4.35Å; L190-V194 HydrophobicContact CG-CG2 4.48Å; L190-V194 WeakPolarHBondContact O-CG2 3.21Å; L190-V194 PolarHBondContact O-N 3.15Å; M191-V194 PolarHBondContact O-N 3.15Å; V194-R196 VanDerWaalsContact C-N 3.29Å; V194-R196 PolarHBondContact O-N 3.22Å; V194-I197 VanDerWaalsContact O-CG2 3.25Å; V194-I197 WeakPolarHBondContact O-CG2 3.43Å; V194-I197 PolarHBondContact O-N 2.87Å; V194-L198 HydrophobicContact CG1-CD1 4Å; V194-L198 HydrophobicContact CG1-CG 4.42Å; V194-L198 WeakPolarHBondContact O-CG 3.32Å; V194-L198 PolarHBondContact O-N 3.26Å
195	A	92.4	Very high	89.8	Confident	58 Å²	58	75.4 Å²	75.4	48%	0.479	39%	0.385	S	S	.	.	H	α-helix	trans	-58.4	-43.3	175.6	0	0	0	0	0	111.5	M191 V192 L198 Y199	M191-A195 VanDerWaalsContact O-CB 3.28Å; M191-A195 WeakPolarHBondContact O-CB 3.48Å; M191-A195 PolarHBondContact O-N 3.31Å; V192-A195 PolarHBondContact O-N 2.79Å; A195-L198 PolarHBondContact O-N 3.07Å; A195-Y199 WeakPolarHBondContact O-CB 3.49Å; A195-Y199 PolarHBondContact O-N 2.81Å
196	R	89.5	Confident	89.5	Confident	83 Å²	83	75.1 Å²	75.1	31%	0.313	38%	0.384	S	S	.	.	H	α-helix	trans	-65.1	-43.4	179.1	-167.3	-167.7	68	-172.2	-8.2	112.4	I30 E34 V192 I193 V194 L198 Y199 T200	I30-R196 VanDerWaalsContact CG2-NH1 3.31Å; E34-R196 VanDerWaalsContact CD-NH2 3.29Å; E34-R196 IonicContact OE1-CZ 3.15Å; E34-R196 IonicContact OE1-NH1 3.32Å; E34-R196 PolarHBondContact OE1-NH1 2.95Å; E34-R196 IonicContact OE1-NH2 3.43Å; E34-R196 PolarHBondContact OE1-NH2 3.41Å; E34-R196 IonicContact OE2-CZ 3.99Å; E34-R196 IonicContact OE2-NH1 3.04Å; E34-R196 PolarHBondContact OE2-NH1 3.34Å; E34-R196 IonicContact OE2-NH2 2.6Å; E34-R196 PolarHBondContact OE2-NH2 2.93Å; V192-R196 WeakPolarHBondContact O-CB 3.4Å; V192-R196 PolarHBondContact O-N 2.97Å; I193-R196 PolarHBondContact O-N 2.86Å; V194-R196 VanDerWaalsContact C-N 3.29Å; V194-R196 PolarHBondContact O-N 3.22Å; R196-L198 VanDerWaalsContact C-N 3.35Å; R196-Y199 PolarHBondContact O-N 3.08Å; R196-T200 WeakPolarHBondContact O-CB 3.47Å; R196-T200 PolarHBondContact O-N 3.02Å; R196-T200 PolarHBondContact O-OG1 2.93Å
197	I	87.9	Confident	89.1	Confident	28 Å²	28	78 Å²	78	14%	0.144	40%	0.396	C	S	.	.	H	α-helix	trans	-67.2	-38.7	179.2	-162.7	63.3	0	0	0	111	F31 I193 V194 Y199 T200 I201	F31-I197 HydrophobicContact CB-CD1 4.25Å; F31-I197 HydrophobicContact CD2-CB 3.94Å; F31-I197 HydrophobicContact CD2-CG1 4.2Å; F31-I197 HydrophobicContact CD2-CG2 4.17Å; F31-I197 HydrophobicContact CE2-CB 4.29Å; F31-I197 HydrophobicContact CE2-CG2 4Å; F31-I197 HydrophobicContact CG-CD1 4.42Å; F31-I197 HydrophobicContact CG-CG1 4.44Å; I193-I197 PolarHBondContact O-N 2.92Å; V194-I197 VanDerWaalsContact O-CG2 3.25Å; V194-I197 WeakPolarHBondContact O-CG2 3.43Å; V194-I197 PolarHBondContact O-N 2.87Å; I197-Y199 PolarHBondContact O-N 3.18Å; I197-T200 WeakPolarHBondContact O-CB 3.37Å; I197-T200 PolarHBondContact O-N 3.39Å; I197-I201 HydrophobicContact CG1-CD1 4.27Å; I197-I201 VanDerWaalsContact O-CG1 3.28Å; I197-I201 WeakPolarHBondContact O-CG1 3.47Å; I197-I201 PolarHBondContact O-N 3.33Å
198	L	91	Very high	88.4	Confident	105 Å²	105	75.3 Å²	75.3	55%	0.55	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-44.5	174.4	-71.3	173.2	0	0	0	111.6	V194 A195 R196 T200 I201 Y202	V194-L198 HydrophobicContact CG1-CD1 4Å; V194-L198 HydrophobicContact CG1-CG 4.42Å; V194-L198 WeakPolarHBondContact O-CG 3.32Å; V194-L198 PolarHBondContact O-N 3.26Å; A195-L198 PolarHBondContact O-N 3.07Å; R196-L198 VanDerWaalsContact C-N 3.35Å; L198-T200 VanDerWaalsContact C-N 3.32Å; L198-T200 PolarHBondContact O-N 2.78Å; L198-I201 PolarHBondContact O-N 3.4Å; L198-Y202 WeakPolarHBondContact O-CB 3.05Å; L198-Y202 PolarHBondContact O-N 2.94Å
199	Y	89.2	Confident	87.6	Confident	165 Å²	165	76.8 Å²	76.8	65%	0.647	40%	0.398	S	S	*	.	H	α-helix	trans	-63.6	-38.7	176.1	-172.9	-95.6	0	0	0	112.1	A195 R196 I197 Y202 A203	A195-Y199 WeakPolarHBondContact O-CB 3.49Å; A195-Y199 PolarHBondContact O-N 2.81Å; R196-Y199 PolarHBondContact O-N 3.08Å; I197-Y199 PolarHBondContact O-N 3.18Å; Y199-Y202 PolarHBondContact O-N 2.83Å; Y199-A203 WeakPolarHBondContact O-CB 3.47Å; Y199-A203 PolarHBondContact O-N 3.4Å
200	T	87.1	Confident	86.2	Confident	14 Å²	14	80 Å²	80	9%	0.086	41%	0.413	C	S	.	.	H	α-helix	trans	-62.2	-48.5	175.8	-56.5	0	0	0	0	110.8	F23 S27 R196 I197 L198 Y202 A203 V204	F23-T200 HydrophobicContact CD1-CG2 4.13Å; F23-T200 HydrophobicContact CE1-CG2 3.39Å; F23-T200 HydrophobicContact CZ-CG2 3.96Å; S27-T200 WeakPolarHBondContact OG-CG2 3.41Å; R196-T200 WeakPolarHBondContact O-CB 3.47Å; R196-T200 PolarHBondContact O-N 3.02Å; R196-T200 PolarHBondContact O-OG1 2.93Å; I197-T200 WeakPolarHBondContact O-CB 3.37Å; I197-T200 PolarHBondContact O-N 3.39Å; L198-T200 VanDerWaalsContact C-N 3.32Å; L198-T200 PolarHBondContact O-N 2.78Å; T200-Y202 VanDerWaalsContact C-N 3.33Å; T200-Y202 PolarHBondContact O-N 3.06Å; T200-A203 PolarHBondContact O-N 3.17Å; T200-V204 WeakPolarHBondContact O-CG2 3.46Å; T200-V204 PolarHBondContact O-N 2.86Å
201	I	86.5	Confident	84.2	Confident	88 Å²	88	81.1 Å²	81.1	45%	0.451	42%	0.415	S	S	.	.	H	α-helix	trans	-60.8	-45.3	177	-66.9	165	0	0	0	110	I197 L198 A203 V204 L205	I197-I201 HydrophobicContact CG1-CD1 4.27Å; I197-I201 VanDerWaalsContact O-CG1 3.28Å; I197-I201 WeakPolarHBondContact O-CG1 3.47Å; I197-I201 PolarHBondContact O-N 3.33Å; L198-I201 PolarHBondContact O-N 3.4Å; I201-A203 PolarHBondContact O-N 3.25Å; I201-V204 PolarHBondContact O-N 3.2Å; I201-L205 HydrophobicContact CG2-CD1 3.91Å; I201-L205 HydrophobicContact CG2-CG 4.34Å; I201-L205 WeakPolarHBondContact O-CB 3.47Å; I201-L205 VanDerWaalsContact O-CG 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.45Å; I201-L205 PolarHBondContact O-N 3.4Å
202	Y	88.3	Confident	81.8	Confident	150 Å²	150	87.3 Å²	87.3	59%	0.588	44%	0.438	S	S	*	.	H	α-helix	trans	-58.3	-48.5	177.1	177	-94.4	0	0	0	112	L198 Y199 T200 V204 L205 D206	L198-Y202 WeakPolarHBondContact O-CB 3.05Å; L198-Y202 PolarHBondContact O-N 2.94Å; Y199-Y202 PolarHBondContact O-N 2.83Å; T200-Y202 VanDerWaalsContact C-N 3.33Å; T200-Y202 PolarHBondContact O-N 3.06Å; Y202-V204 VanDerWaalsContact C-N 3.33Å; Y202-V204 PolarHBondContact O-N 2.75Å; Y202-L205 PolarHBondContact O-N 3.03Å; Y202-D206 WeakPolarHBondContact O-CB 3.29Å; Y202-D206 PolarHBondContact O-N 2.97Å
203	A	83	Confident	81.2	Confident	37 Å²	37	87.8 Å²	87.8	31%	0.306	44%	0.436	S	S	.	.	H	α-helix	trans	-61.7	-39.2	179.4	0	0	0	0	0	112.5	Y199 T200 I201 F207	Y199-A203 WeakPolarHBondContact O-CB 3.47Å; Y199-A203 PolarHBondContact O-N 3.4Å; T200-A203 PolarHBondContact O-N 3.17Å; I201-A203 PolarHBondContact O-N 3.25Å; A203-F207 VanDerWaalsContact O-CB 3.32Å; A203-F207 WeakPolarHBondContact O-CB 3.36Å; A203-F207 PolarHBondContact O-N 2.92Å
204	V	84.1	Confident	80.6	Confident	22 Å²	22	91.6 Å²	91.6	13%	0.133	46%	0.455	C	S	.	.	H	α-helix	trans	-66.5	-44.3	175.5	172.9	0	0	0	0	111.2	M20 F23 I24 T200 I201 Y202 D206 F207 A208	M20-V204 HydrophobicContact SD-CG1 4.44Å; F23-V204 HydrophobicContact CD1-CG2 3.75Å; F23-V204 HydrophobicContact CE1-CG2 4.03Å; I24-V204 HydrophobicContact CD1-CG1 3.76Å; I24-V204 HydrophobicContact CD1-CG2 4.41Å; I24-V204 HydrophobicContact CG1-CG1 4.21Å; I24-V204 HydrophobicContact CG1-CG2 3.94Å; T200-V204 WeakPolarHBondContact O-CG2 3.46Å; T200-V204 PolarHBondContact O-N 2.86Å; I201-V204 PolarHBondContact O-N 3.2Å; Y202-V204 VanDerWaalsContact C-N 3.33Å; Y202-V204 PolarHBondContact O-N 2.75Å; V204-D206 VanDerWaalsContact C-N 3.34Å; V204-D206 PolarHBondContact O-N 3.1Å; V204-F207 PolarHBondContact O-N 3.42Å; V204-A208 WeakPolarHBondContact O-CB 3.48Å; V204-A208 PolarHBondContact O-N 3.49Å
205	L	84.8	Confident	80	Confident	101 Å²	101	93.2 Å²	93.2	53%	0.529	46%	0.459	S	S	.	.	H	α-helix	trans	-63.4	-40	177.7	-71.4	174.5	0	0	0	112	I201 Y202 A208 K209	I201-L205 HydrophobicContact CG2-CD1 3.91Å; I201-L205 HydrophobicContact CG2-CG 4.34Å; I201-L205 WeakPolarHBondContact O-CB 3.47Å; I201-L205 VanDerWaalsContact O-CG 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.45Å; I201-L205 PolarHBondContact O-N 3.4Å; Y202-L205 PolarHBondContact O-N 3.03Å; L205-A208 PolarHBondContact O-N 3.41Å; L205-K209 WeakPolarHBondContact O-CB 3.35Å; L205-K209 WeakPolarHBondContact O-CG 3.36Å; L205-K209 PolarHBondContact O-N 3.3Å
206	D	82.1	Confident	79.2	Confident	77 Å²	77	95.2 Å²	95.2	41%	0.412	46%	0.458	S	S	.	.	H	α-helix	trans	-66.9	-44.4	176.7	-171.7	56.5	0	0	0	111.8	Y202 V204 A208 K209 T210	Y202-D206 WeakPolarHBondContact O-CB 3.29Å; Y202-D206 PolarHBondContact O-N 2.97Å; V204-D206 VanDerWaalsContact C-N 3.34Å; V204-D206 PolarHBondContact O-N 3.1Å; D206-A208 PolarHBondContact O-N 3.5Å; D206-K209 PolarHBondContact O-N 3.01Å; D206-K209 VanDerWaalsContact O-N 3.13Å; D206-T210 WeakPolarHBondContact O-CG2 3.45Å; D206-T210 PolarHBondContact O-N 3.25Å; D206-T210 PolarHBondContact O-OG1 2.76Å; D206-T210 VanDerWaalsContact O-OG1 3.09Å
207	F	79.7	Confident	78.6	Confident	84 Å²	84	96 Å²	96	37%	0.368	47%	0.467	S	S	.	.	H	α-helix	trans	-63.1	-31.1	175.7	-173.2	-93.5	0	0	0	113.1	K16 M20 A203 V204 T210	K16-F207 HydrophobicContact CB-CE1 4.22Å; K16-F207 HydrophobicContact CB-CZ 4.47Å; K16-F207 HydrophobicContact CD-CE1 4.44Å; K16-F207 HydrophobicContact CD-CZ 4.06Å; K16-F207 HydrophobicContact CG-CE1 4.43Å; K16-F207 HydrophobicContact CG-CZ 4.19Å; M20-F207 HydrophobicContact CE-CD1 4.47Å; M20-F207 HydrophobicContact CG-CD1 3.74Å; M20-F207 HydrophobicContact CG-CE1 3.96Å; M20-F207 HydrophobicContact SD-CD1 3.54Å; M20-F207 VanDerWaalsContact SD-CD1 3.54Å; M20-F207 HydrophobicContact SD-CE1 4.08Å; A203-F207 VanDerWaalsContact O-CB 3.32Å; A203-F207 WeakPolarHBondContact O-CB 3.36Å; A203-F207 PolarHBondContact O-N 2.92Å; V204-F207 PolarHBondContact O-N 3.42Å; F207-T210 PolarHBondContact O-OG1 2.86Å
208	A	77.6	Confident	78	Confident	54 Å²	54	100.5 Å²	100.5	45%	0.446	49%	0.489	S	S	.	.	H	α-helix	trans	-74.6	-38.3	172.9	0	0	0	0	0	112.6	M20 V204 L205 D206	M20-A208 HydrophobicContact SD-CB 4.41Å; V204-A208 WeakPolarHBondContact O-CB 3.48Å; V204-A208 PolarHBondContact O-N 3.49Å; L205-A208 PolarHBondContact O-N 3.41Å; D206-A208 PolarHBondContact O-N 3.5Å
209	K	76.4	Confident	77	Confident	162 Å²	162	100.2 Å²	100.2	70%	0.704	48%	0.484	S	S	*	.	H	α-helix	trans	-69.6	-37.7	180	-83.6	179.9	-179.9	179.9	0	113.7	L205 D206 K211 K212	L205-K209 WeakPolarHBondContact O-CB 3.35Å; L205-K209 WeakPolarHBondContact O-CG 3.36Å; L205-K209 PolarHBondContact O-N 3.3Å; D206-K209 PolarHBondContact O-N 3.01Å; D206-K209 VanDerWaalsContact O-N 3.13Å; K209-K211 PolarHBondContact O-N 2.92Å; K209-K212 PolarHBondContact O-N 3.31Å
210	T	63.4	Low	76.1	Confident	88 Å²	88	95.2 Å²	95.2	54%	0.54	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	8.2	-179.9	48.1	0	0	0	0	114.4	D206 F207	D206-T210 WeakPolarHBondContact O-CG2 3.45Å; D206-T210 PolarHBondContact O-N 3.25Å; D206-T210 PolarHBondContact O-OG1 2.76Å; D206-T210 VanDerWaalsContact O-OG1 3.09Å; F207-T210 PolarHBondContact O-OG1 2.86Å
211	K	50.8	Low	75.2	Confident	96 Å²	96	102 Å²	102	42%	0.417	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.5	26.5	-176.2	-61.4	-165.5	-170.7	72.5	0	116.6	K16 K209	K16-K211 HydrophobicContact CD-CD 4.3Å; K16-K211 VanDerWaalsContact NZ-CE 3.27Å; K209-K211 PolarHBondContact O-N 2.92Å
212	K	45.4	Very low	74.1	Confident	265 Å²	265	103.3 Å²	103.3	100%	1.152	51%	0.509	S	S	*	.			trans	-83.3	0	146.7	-84.2	-172.1	177.1	-177.4	0	108.5	K209	K209-K212 PolarHBondContact O-N 3.31Å

Retrieved 212 of 212 residues in 357.7 ms (Link to these results)

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