A0A087YP33_POEFO Loading...

GPN-loop GTPase 3

Small GTPase required for proper localization of RNA polymerase II (RNAPII). May act at an RNAP assembly step prior to nuclear import. Small GTPase required for proper nuclear import of RNA polymerase II and III (RNAPII and RNAPIII). May act at an RNAP assembly step prior to nuclear import.

AlphaFold DB , UniProt , Accession A0A087YP33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 285 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.8	Low	90.9	Very high	95 Å²	95	18 Å²	18	47%	0.468	10%	0.096	S	C	.	.				0	152.7	0	-70.1	-175.2	-166.7	0	0	109.1	E99 D100	M1-E99 PolarHBondContact N-OE2 2.82Å; M1-D100 WeakPolarHBondContact CB-OD1 3.22Å
2	P	79	Confident	90.9	Very high	27 Å²	27	22.8 Å²	22.8	18%	0.175	14%	0.141	C	C	.	.			trans	-61.7	145.6	-177	26.8	-34.7	0	0	0	111.4	Y4 R133	P2-Y4 HydrophobicContact CG-CE1 4.49Å; P2-Y4 HydrophobicContact CG-CE2 4.39Å; P2-Y4 WeakPolarHBondContact O-CE2 3.34Å; P2-R133 HydrophobicContact CB-CG 4.36Å
3	R	90.9	Very high	90.9	Very high	25 Å²	25	25.2 Å²	25.2	9%	0.094	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	154.9	173.4	-58.6	175.9	80.8	179.7	6.6	109.3	L95 G96 V98 D101 E131 F132 R133	R3-L95 PolarHBondContact NH2-O 2.96Å; R3-G96 PolarHBondContact NH1-O 2.82Å; R3-G96 PolarHBondContact NH2-O 3.34Å; R3-V98 PolarHBondContact NE-O 2.62Å; R3-D101 IonicContact CZ-OD2 2.7Å; R3-D101 IonicContact NE-OD2 3.61Å; R3-D101 PolarHBondContact NE-OD2 2.89Å; R3-D101 IonicContact NH2-OD2 2.7Å; R3-D101 PolarHBondContact NH2-OD2 3.38Å; R3-E131 PolarHBondContact N-O 2.88Å; R3-F132 HydrophobicContact CB-CD1 3.48Å; R3-F132 VanDerWaalsContact CB-CD1 3.48Å; R3-F132 HydrophobicContact CB-CD2 4.02Å; R3-F132 HydrophobicContact CB-CE1 3.48Å; R3-F132 VanDerWaalsContact CB-CE1 3.48Å; R3-F132 HydrophobicContact CB-CE2 4.02Å; R3-F132 HydrophobicContact CB-CG 3.78Å; R3-F132 HydrophobicContact CB-CZ 3.76Å; R3-F132 HydrophobicContact CG-CE1 4.48Å; R3-F132 HydrophobicContact CG-CE2 4.48Å; R3-F132 HydrophobicContact CG-CZ 4.34Å; R3-F132 VanDerWaalsContact NE-CZ 3.25Å; R3-F132 CarbonylContact O-C 3.52Å; R3-F132 VanDerWaalsContact O-CA 3.29Å; R3-F132 WeakPolarHBondContact O-CA 3.31Å; R3-R133 PolarHBondContact O-N 3.42Å
4	Y	94.8	Very high	91.2	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.3	-172.8	-58.5	-84.2	0	0	0	110.9	P2 D101 I103 R133 I252 Y254	P2-Y4 HydrophobicContact CG-CE1 4.49Å; P2-Y4 HydrophobicContact CG-CE2 4.39Å; P2-Y4 WeakPolarHBondContact O-CE2 3.34Å; Y4-D101 PolarHBondContact N-O 3.02Å; Y4-I103 PolarHBondContact O-N 3.26Å; Y4-R133 HydrophobicContact CD1-CB 4.11Å; Y4-R133 HydrophobicContact CE1-CB 4.49Å; Y4-I252 HydrophobicContact CD1-CB 4.22Å; Y4-I252 HydrophobicContact CD1-CD1 3.88Å; Y4-I252 HydrophobicContact CD1-CG1 3.86Å; Y4-I252 HydrophobicContact CE1-CG1 4.45Å; Y4-I252 HydrophobicContact CG-CD1 4.34Å; Y4-Y254 AromaticContact CD1-CD2 3.89Å; Y4-Y254 HydrophobicContact CD1-CD2 3.89Å; Y4-Y254 AromaticContact CD2-CD2 3.51Å; Y4-Y254 HydrophobicContact CD2-CD2 3.51Å; Y4-Y254 AromaticContact CD2-CE2 3.76Å; Y4-Y254 HydrophobicContact CD2-CE2 3.76Å; Y4-Y254 AromaticContact CE1-CD2 3.84Å; Y4-Y254 HydrophobicContact CE1-CD2 3.84Å; Y4-Y254 HydrophobicContact CE1-CG 4.47Å; Y4-Y254 AromaticContact CE2-CD2 3.46Å; Y4-Y254 HydrophobicContact CE2-CD2 3.46Å; Y4-Y254 VanDerWaalsContact CE2-CD2 3.46Å; Y4-Y254 AromaticContact CE2-CE2 3.75Å; Y4-Y254 HydrophobicContact CE2-CE2 3.75Å; Y4-Y254 AromaticContact CG-CD2 3.71Å; Y4-Y254 HydrophobicContact CG-CD2 3.71Å; Y4-Y254 HydrophobicContact CG-CE2 4.34Å; Y4-Y254 AromaticContact CZ-CD2 3.61Å
5	A	96.1	Very high	91.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129	-178	0	0	0	0	0	111.8	I103 F105 F132 R133 V134 C135	A5-I103 CarbonylContact C-O 3.38Å; A5-I103 WeakPolarHBondContact CA-O 3.37Å; A5-F105 HydrophobicContact CB-CD2 4.11Å; A5-F105 HydrophobicContact CB-CE2 3.69Å; A5-F132 HydrophobicContact CB-CB 4.4Å; A5-F132 HydrophobicContact CB-CD1 3.71Å; A5-F132 HydrophobicContact CB-CE1 4.39Å; A5-F132 HydrophobicContact CB-CG 4.39Å; A5-R133 PolarHBondContact N-O 3.41Å; A5-V134 HydrophobicContact CB-CG1 4.32Å; A5-V134 HydrophobicContact CB-CG2 4.23Å; A5-V134 WeakPolarHBondContact O-CA 3.38Å; A5-C135 PolarHBondContact O-N 3.49Å
6	Q	97.5	Very high	91.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.7	161.3	-61.7	-170.9	19.9	0	0	109.4	V8 Y19 Y102 I103 L104 F105 C135 V137 I248	Q6-V8 HydrophobicContact CB-CG2 4.46Å; Q6-V8 PolarHBondContact O-N 3.18Å; Q6-Y19 PolarHBondContact OE1-OH 3.21Å; Q6-Y102 HydrophobicContact CG-CE1 3.79Å; Q6-Y102 VanDerWaalsContact NE2-CE1 3.26Å; Q6-Y102 PolarHBondContact NE2-OH 3.11Å; Q6-I103 PolarHBondContact N-O 3.28Å; Q6-L104 HydrophobicContact CB-CD2 3.62Å; Q6-L104 HydrophobicContact CG-CD2 3.65Å; Q6-F105 PolarHBondContact O-N 3.37Å; Q6-C135 CarbonylContact C-O 3.47Å; Q6-C135 WeakPolarHBondContact CA-O 3.21Å; Q6-V137 HydrophobicContact CB-CG2 4.14Å; Q6-V137 HydrophobicContact CG-CG2 4.34Å; Q6-I248 HydrophobicContact CG-CG2 3.82Å
7	L	97.3	Very high	91.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	103.6	167.6	-63.4	-175.7	0	0	0	108.7	M9 F105 L123 V124 L127 V134 C135 V137 I167	L7-M9 HydrophobicContact CB-CG 4.28Å; L7-M9 HydrophobicContact CB-SD 4.33Å; L7-M9 WeakPolarHBondContact O-CG 3.44Å; L7-M9 PolarHBondContact O-N 2.6Å; L7-F105 HydrophobicContact CD2-CB 3.65Å; L7-F105 HydrophobicContact CD2-CD2 3.77Å; L7-F105 HydrophobicContact CD2-CG 3.77Å; L7-L123 HydrophobicContact CD2-CD2 4.31Å; L7-V124 HydrophobicContact CD1-CG2 3.41Å; L7-V124 VanDerWaalsContact CD1-CG2 3.41Å; L7-L127 HydrophobicContact CD2-CD1 3.97Å; L7-V134 HydrophobicContact CD1-CG1 3.8Å; L7-V134 HydrophobicContact CG-CG1 3.78Å; L7-C135 PolarHBondContact N-O 3.08Å; L7-V137 PolarHBondContact O-N 2.79Å; L7-I167 HydrophobicContact CD1-CD1 4.21Å
8	V	97.3	Very high	92	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	107.9	-178	-173.1	0	0	0	0	109	Q6 K16 Y19 F105 C107 L139	Q6-V8 HydrophobicContact CB-CG2 4.46Å; Q6-V8 PolarHBondContact O-N 3.18Å; V8-K16 HydrophobicContact CG1-CB 3.87Å; V8-K16 HydrophobicContact CG1-CG 4.04Å; V8-Y19 HydrophobicContact CB-CD1 4.48Å; V8-Y19 HydrophobicContact CG1-CD1 3.69Å; V8-Y19 HydrophobicContact CG1-CE1 4.26Å; V8-Y19 HydrophobicContact CG1-CG 4.44Å; V8-Y19 HydrophobicContact CG2-CD1 3.89Å; V8-Y19 HydrophobicContact CG2-CE1 3.79Å; V8-F105 WeakPolarHBondContact CB-O 3.48Å; V8-F105 PolarHBondContact N-O 2.82Å; V8-C107 VanDerWaalsContact O-CB 3.28Å; V8-C107 WeakPolarHBondContact O-CB 3.33Å; V8-C107 PolarHBondContact O-N 3.45Å; V8-L139 HydrophobicContact CG1-CD1 3.76Å; V8-L139 HydrophobicContact CG1-CG 4.17Å
9	M	95	Very high	92.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	165.4	-169	-58.3	177.9	-63.5	0	0	111.4	L7 Y114 G136 V137 F138 L139 L165	L7-M9 HydrophobicContact CB-CG 4.28Å; L7-M9 HydrophobicContact CB-SD 4.33Å; L7-M9 WeakPolarHBondContact O-CG 3.44Å; L7-M9 PolarHBondContact O-N 2.6Å; M9-Y114 HydrophobicContact CB-CD1 4.35Å; M9-Y114 HydrophobicContact CB-CE1 4.03Å; M9-Y114 HydrophobicContact CG-CD1 3.86Å; M9-Y114 HydrophobicContact CG-CE1 3.47Å; M9-Y114 VanDerWaalsContact CG-CE1 3.47Å; M9-Y114 HydrophobicContact SD-CD1 3.5Å; M9-Y114 WeakPolarHBondContact SD-CD1 2.98Å; M9-Y114 HydrophobicContact SD-CE1 3.73Å; M9-Y114 HydrophobicContact SD-CG 4.36Å; M9-G136 VanDerWaalsContact CE-CA 3.5Å; M9-V137 PolarHBondContact N-O 3.3Å; M9-F138 HydrophobicContact CB-CD2 4.17Å; M9-L139 WeakPolarHBondContact O-CB 3.49Å; M9-L139 PolarHBondContact O-N 3Å; M9-L165 HydrophobicContact CE-CD1 3.8Å; M9-L165 HydrophobicContact SD-CD1 3.28Å; M9-L165 WeakPolarHBondContact SD-CD1 3.38Å
10	G	93.9	Very high	92.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.162	C	C	.	.			trans	135.4	170.3	171.2	0	0	0	0	0	113	K16	G10-K16 PolarHBondContact O-NZ 3.35Å
11	P	92.9	Very high	92.6	Very high	47 Å²	47	23.4 Å²	23.4	31%	0.305	16%	0.159	S	C	.	.	S	Bend	trans	-56.8	156.6	-173	-22.8	32.4	0	0	0	113.7	G13 S14 K16 G109 I111 L139	P11-G13 PolarHBondContact O-N 3.15Å; P11-S14 VanDerWaalsContact O-CB 3.26Å; P11-S14 WeakPolarHBondContact O-CB 3.43Å; P11-S14 PolarHBondContact O-N 3.34Å; P11-S14 PolarHBondContact O-OG 3.49Å; P11-K16 PolarHBondContact O-NZ 2.93Å; P11-K16 VanDerWaalsContact O-NZ 3.15Å; P11-G109 CarbonylContact C-O 3.53Å; P11-G109 WeakPolarHBondContact CA-O 3.49Å; P11-I111 HydrophobicContact CB-CG2 4.04Å; P11-I111 HydrophobicContact CG-CG2 3.9Å; P11-L139 VanDerWaalsContact CD-O 3.31Å; P11-L139 WeakPolarHBondContact CD-O 3.39Å
12	A	91.5	Very high	94.1	Very high	76 Å²	76	19.7 Å²	19.7	63%	0.628	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	133.6	171.1	0	0	0	0	0	110.6	S14 G109	A12-S14 VanDerWaalsContact C-N 3.33Å; A12-S14 PolarHBondContact O-N 2.9Å; A12-G109 PolarHBondContact N-O 2.88Å
13	G	91.3	Very high	94.9	Very high	53 Å²	53	18.5 Å²	18.5	55%	0.546	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	1.1	-177.1	0	0	0	0	0	115.7	P11 G15 K175	P11-G13 PolarHBondContact O-N 3.15Å; G13-G15 PolarHBondContact O-N 3.35Å; G13-K175 WeakPolarHBondContact O-CE 3.43Å; G13-K175 PolarHBondContact O-NZ 2.94Å
14	S	93.9	Very high	95.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.014	13%	0.131	C	C	.	.	S	Bend	trans	-67	-16.3	174.9	66.2	0	0	0	0	114	P11 A12 L139 T174	P11-S14 VanDerWaalsContact O-CB 3.26Å; P11-S14 WeakPolarHBondContact O-CB 3.43Å; P11-S14 PolarHBondContact O-N 3.34Å; P11-S14 PolarHBondContact O-OG 3.49Å; A12-S14 VanDerWaalsContact C-N 3.33Å; A12-S14 PolarHBondContact O-N 2.9Å; S14-L139 WeakPolarHBondContact CB-O 3.39Å; S14-T174 WeakPolarHBondContact O-CB 3.46Å; S14-T174 PolarHBondContact O-OG1 3.28Å
15	G	94.4	Very high	95.1	Very high	17 Å²	17	22.9 Å²	22.9	18%	0.175	16%	0.156	C	C	.	.			trans	95.7	31.8	176.8	0	0	0	0	0	115.1	G13 T18 Y19	G13-G15 PolarHBondContact O-N 3.35Å; G15-T18 WeakPolarHBondContact O-CB 3.37Å; G15-T18 PolarHBondContact O-N 3.24Å; G15-Y19 WeakPolarHBondContact O-CB 3.33Å; G15-Y19 PolarHBondContact O-N 2.78Å
16	K	95.5	Very high	95	Very high	14 Å²	14	23.7 Å²	23.7	6%	0.061	16%	0.159	C	C	.	.	H	α-helix	trans	-54.3	-57.8	179	-61.8	179.4	-71.1	-67	0	113.5	V8 G10 P11 T18 Y19 C20 D106 C107 G109 L139	V8-K16 HydrophobicContact CG1-CB 3.87Å; V8-K16 HydrophobicContact CG1-CG 4.04Å; G10-K16 PolarHBondContact O-NZ 3.35Å; P11-K16 PolarHBondContact O-NZ 2.93Å; P11-K16 VanDerWaalsContact O-NZ 3.15Å; K16-T18 VanDerWaalsContact C-N 3.27Å; K16-T18 PolarHBondContact O-N 3.2Å; K16-Y19 WeakPolarHBondContact O-CA 3.48Å; K16-Y19 VanDerWaalsContact O-CB 3.32Å; K16-Y19 WeakPolarHBondContact O-CB 3.17Å; K16-Y19 PolarHBondContact O-N 3.48Å; K16-C20 PolarHBondContact O-N 2.91Å; K16-C20 PolarHBondContact O-SG 2.82Å; K16-C20 VanDerWaalsContact O-SG 3.4Å; K16-D106 WeakPolarHBondContact CB-OD1 3.5Å; K16-C107 WeakPolarHBondContact CD-O 3.41Å; K16-C107 WeakPolarHBondContact CE-O 3.37Å; K16-G109 VanDerWaalsContact NZ-CA 3.25Å; K16-L139 HydrophobicContact CB-CD1 4.29Å; K16-L139 HydrophobicContact CG-CD1 3.95Å
17	S	95.1	Very high	94.7	Very high	43 Å²	43	23.7 Å²	23.7	30%	0.301	16%	0.16	S	C	.	.	H	α-helix	trans	-60	-36.9	177.1	-42.5	0	0	0	0	112.6	C20 S21 Y48 D106	S17-C20 PolarHBondContact O-N 3.23Å; S17-S21 PolarHBondContact O-N 3.23Å; S17-Y48 WeakPolarHBondContact CA-OH 3.4Å; S17-Y48 WeakPolarHBondContact CB-OH 3.45Å; S17-Y48 WeakPolarHBondContact O-CE1 3.3Å; S17-D106 WeakPolarHBondContact CA-OD2 3.26Å; S17-D106 VanDerWaalsContact CB-OD2 3.23Å; S17-D106 WeakPolarHBondContact CB-OD2 2.92Å; S17-D106 PolarHBondContact N-OD1 2.81Å; S17-D106 PolarHBondContact OG-OD2 3.17Å
18	T	95.1	Very high	94.5	Very high	73 Å²	73	29.2 Å²	29.2	45%	0.448	19%	0.186	S	C	.	.	H	α-helix	trans	-64.3	-42.9	173.9	-51.5	0	0	0	0	111.6	G15 K16 S21 T22	G15-T18 WeakPolarHBondContact O-CB 3.37Å; G15-T18 PolarHBondContact O-N 3.24Å; K16-T18 VanDerWaalsContact C-N 3.27Å; K16-T18 PolarHBondContact O-N 3.2Å; T18-S21 WeakPolarHBondContact O-CB 3.35Å; T18-S21 PolarHBondContact O-N 3.45Å; T18-T22 PolarHBondContact O-N 3.22Å; T18-T22 PolarHBondContact O-OG1 3.47Å
19	Y	96.8	Very high	94.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-46.7	174.7	169.4	-87.2	0	0	0	110.9	Q6 V8 G15 K16 S21 T22 M23 V137 L139 F233 V244 I248	Q6-Y19 PolarHBondContact OE1-OH 3.21Å; V8-Y19 HydrophobicContact CB-CD1 4.48Å; V8-Y19 HydrophobicContact CG1-CD1 3.69Å; V8-Y19 HydrophobicContact CG1-CE1 4.26Å; V8-Y19 HydrophobicContact CG1-CG 4.44Å; V8-Y19 HydrophobicContact CG2-CD1 3.89Å; V8-Y19 HydrophobicContact CG2-CE1 3.79Å; G15-Y19 WeakPolarHBondContact O-CB 3.33Å; G15-Y19 PolarHBondContact O-N 2.78Å; K16-Y19 WeakPolarHBondContact O-CA 3.48Å; K16-Y19 VanDerWaalsContact O-CB 3.32Å; K16-Y19 WeakPolarHBondContact O-CB 3.17Å; K16-Y19 PolarHBondContact O-N 3.48Å; Y19-S21 VanDerWaalsContact C-N 3.35Å; Y19-S21 PolarHBondContact O-N 2.86Å; Y19-T22 PolarHBondContact O-N 3.45Å; Y19-M23 HydrophobicContact CE1-CB 4.45Å; Y19-M23 HydrophobicContact CE2-CE 4.35Å; Y19-M23 WeakPolarHBondContact O-CB 3.37Å; Y19-M23 PolarHBondContact O-N 2.94Å; Y19-V137 HydrophobicContact CE1-CG1 4.27Å; Y19-V137 HydrophobicContact CE2-CG1 4.38Å; Y19-L139 HydrophobicContact CD2-CD2 4.21Å; Y19-L139 HydrophobicContact CG-CD1 4.02Å; Y19-L139 HydrophobicContact CG-CD2 4.37Å; Y19-F233 HydrophobicContact CD2-CD1 4.45Å; Y19-F233 HydrophobicContact CD2-CD2 4.22Å; Y19-F233 HydrophobicContact CD2-CE1 4.01Å; Y19-F233 AromaticContact CD2-CE2 3.74Å; Y19-F233 HydrophobicContact CD2-CE2 3.74Å; Y19-F233 AromaticContact CD2-CZ 3.62Å; Y19-F233 HydrophobicContact CD2-CZ 3.62Å; Y19-F233 HydrophobicContact CE2-CD2 4.23Å; Y19-F233 AromaticContact CE2-CE2 3.8Å; Y19-F233 HydrophobicContact CE2-CE2 3.8Å; Y19-F233 HydrophobicContact CE2-CZ 4.14Å; Y19-V244 HydrophobicContact CE2-CG1 4.22Å; Y19-I248 WeakPolarHBondContact OH-CD1 3.44Å
20	C	96.4	Very high	94.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-48.1	175.9	-64.6	0	0	0	0	111.3	K16 S17 T22 M23 V24 V36 Y48 L104	K16-C20 PolarHBondContact O-N 2.91Å; K16-C20 PolarHBondContact O-SG 2.82Å; K16-C20 VanDerWaalsContact O-SG 3.4Å; S17-C20 PolarHBondContact O-N 3.23Å; C20-T22 PolarHBondContact O-N 2.85Å; C20-M23 PolarHBondContact O-N 2.96Å; C20-V24 VanDerWaalsContact O-CG2 3.29Å; C20-V24 WeakPolarHBondContact O-CG2 3.4Å; C20-V24 PolarHBondContact O-N 3.06Å; C20-V36 HydrophobicContact CB-CG1 4.27Å; C20-V36 HydrophobicContact CB-CG2 4.5Å; C20-Y48 HydrophobicContact CB-CE1 4.21Å; C20-L104 HydrophobicContact CB-CD1 4.35Å
21	S	95.4	Very high	93.9	Very high	14 Å²	14	43.8 Å²	43.8	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-46.6	176.7	-168.8	0	0	0	0	112.8	S17 T18 Y19 Q25	S17-S21 PolarHBondContact O-N 3.23Å; T18-S21 WeakPolarHBondContact O-CB 3.35Å; T18-S21 PolarHBondContact O-N 3.45Å; Y19-S21 VanDerWaalsContact C-N 3.35Å; Y19-S21 PolarHBondContact O-N 2.86Å; S21-Q25 WeakPolarHBondContact O-CG 3.36Å; S21-Q25 PolarHBondContact O-N 2.93Å
22	T	95.7	Very high	93.7	Very high	17 Å²	17	45.7 Å²	45.7	10%	0.104	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-39.5	-179.6	-64.1	0	0	0	0	111.2	T18 Y19 C20 Q25 H26 F233 R235 I241	T18-T22 PolarHBondContact O-N 3.22Å; T18-T22 PolarHBondContact O-OG1 3.47Å; Y19-T22 PolarHBondContact O-N 3.45Å; C20-T22 PolarHBondContact O-N 2.85Å; T22-Q25 PolarHBondContact O-N 3Å; T22-H26 WeakPolarHBondContact O-CB 3.5Å; T22-H26 PolarHBondContact O-N 3.43Å; T22-F233 HydrophobicContact CG2-CE1 4.41Å; T22-F233 HydrophobicContact CG2-CZ 3.8Å; T22-R235 HydrophobicContact CG2-CB 4.39Å; T22-I241 HydrophobicContact CG2-CD1 3.48Å; T22-I241 VanDerWaalsContact CG2-CD1 3.48Å; T22-I241 HydrophobicContact CG2-CG1 4.09Å; T22-I241 HydrophobicContact CG2-CG2 4.47Å
23	M	96	Very high	93.6	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-72.2	-36.1	-177.9	-167.2	46.4	61.7	0	0	112.3	Y19 C20 H26 A27 L104 F233 I241 L245	Y19-M23 HydrophobicContact CE1-CB 4.45Å; Y19-M23 HydrophobicContact CE2-CE 4.35Å; Y19-M23 WeakPolarHBondContact O-CB 3.37Å; Y19-M23 PolarHBondContact O-N 2.94Å; C20-M23 PolarHBondContact O-N 2.96Å; M23-H26 PolarHBondContact O-N 3.23Å; M23-A27 VanDerWaalsContact O-CB 3.28Å; M23-A27 WeakPolarHBondContact O-CB 3.39Å; M23-A27 PolarHBondContact O-N 3.45Å; M23-L104 HydrophobicContact CB-CD1 4Å; M23-L104 HydrophobicContact CG-CD1 4.21Å; M23-F233 HydrophobicContact CE-CE2 4.33Å; M23-I241 HydrophobicContact CE-CG2 3.43Å; M23-I241 VanDerWaalsContact CE-CG2 3.43Å; M23-I241 HydrophobicContact SD-CG2 4.35Å; M23-L245 HydrophobicContact CE-CB 4.19Å; M23-L245 HydrophobicContact SD-CB 4Å; M23-L245 HydrophobicContact SD-CD1 3.89Å; M23-L245 HydrophobicContact SD-CD2 4Å; M23-L245 HydrophobicContact SD-CG 4.18Å
24	V	94.8	Very high	93.6	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-59.8	-51.4	170.7	170.6	0	0	0	0	110.6	C20 H26 A27 E28 V34 V36 L104	C20-V24 VanDerWaalsContact O-CG2 3.29Å; C20-V24 WeakPolarHBondContact O-CG2 3.4Å; C20-V24 PolarHBondContact O-N 3.06Å; V24-H26 VanDerWaalsContact C-N 3.29Å; V24-H26 PolarHBondContact O-N 3.38Å; V24-A27 PolarHBondContact O-N 2.89Å; V24-E28 HydrophobicContact CG1-CG 4.48Å; V24-E28 WeakPolarHBondContact O-CG 3.39Å; V24-E28 PolarHBondContact O-N 2.83Å; V24-V34 HydrophobicContact CG2-CG1 4.29Å; V24-V36 HydrophobicContact CG2-CG2 3.39Å; V24-L104 HydrophobicContact CG2-CD1 4.19Å
25	Q	94.2	Very high	93.6	Very high	114 Å²	114	47.6 Å²	47.6	53%	0.533	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-39.6	179.6	-71.8	173.6	-1.8	0	0	112.4	S21 T22 S29	S21-Q25 WeakPolarHBondContact O-CG 3.36Å; S21-Q25 PolarHBondContact O-N 2.93Å; T22-Q25 PolarHBondContact O-N 3Å; Q25-S29 PolarHBondContact O-N 2.89Å
26	H	94.6	Very high	93.7	Very high	17 Å²	17	46.9 Å²	46.9	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-69.6	-39.4	176.8	-172.6	77.5	0	0	0	112.2	T22 M23 V24 S29 L30 I241 N242	T22-H26 WeakPolarHBondContact O-CB 3.5Å; T22-H26 PolarHBondContact O-N 3.43Å; M23-H26 PolarHBondContact O-N 3.23Å; V24-H26 VanDerWaalsContact C-N 3.29Å; V24-H26 PolarHBondContact O-N 3.38Å; H26-S29 PolarHBondContact O-N 3.03Å; H26-S29 PolarHBondContact O-OG 3.23Å; H26-L30 WeakPolarHBondContact O-CG 3.37Å; H26-L30 PolarHBondContact O-N 3.37Å; H26-I241 HydrophobicContact CB-CG2 3.74Å; H26-I241 VanDerWaalsContact CG-CG2 3.45Å; H26-N242 WeakPolarHBondContact NE2-CA 3.35Å; H26-N242 WeakPolarHBondContact NE2-CB 3.36Å
27	A	92.3	Very high	93.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-40.4	175.2	0	0	0	0	0	111.9	M23 V24 S29 L30 N31 R32 V34	M23-A27 VanDerWaalsContact O-CB 3.28Å; M23-A27 WeakPolarHBondContact O-CB 3.39Å; M23-A27 PolarHBondContact O-N 3.45Å; V24-A27 PolarHBondContact O-N 2.89Å; A27-S29 VanDerWaalsContact C-N 3.32Å; A27-S29 PolarHBondContact O-N 3.43Å; A27-L30 CarbonylContact O-C 3.57Å; A27-L30 WeakPolarHBondContact O-CA 3.43Å; A27-L30 WeakPolarHBondContact O-CB 3.41Å; A27-L30 PolarHBondContact O-N 3.27Å; A27-N31 PolarHBondContact O-N 2.94Å; A27-R32 CarbonylContact C-O 3.4Å; A27-R32 HydrophobicContact CB-CB 4.16Å; A27-R32 WeakPolarHBondContact O-CB 3.5Å; A27-R32 PolarHBondContact O-N 3.48Å; A27-V34 HydrophobicContact CB-CB 3.94Å; A27-V34 HydrophobicContact CB-CG2 3.38Å
28	E	91.9	Very high	93.8	Very high	116 Å²	116	44.2 Å²	44.2	54%	0.542	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-41.6	174.8	-74.9	176.3	169.9	0	0	111.8	V24 L30 N31	V24-E28 HydrophobicContact CG1-CG 4.48Å; V24-E28 WeakPolarHBondContact O-CG 3.39Å; V24-E28 PolarHBondContact O-N 2.83Å; E28-L30 PolarHBondContact O-N 3.28Å; E28-N31 PolarHBondContact O-N 3.42Å
29	S	92.7	Very high	93.8	Very high	77 Å²	77	40.7 Å²	40.7	54%	0.538	22%	0.217	S	C	.	.	H	α-helix	trans	-66.4	-23.1	176.9	78.8	0	0	0	0	113.2	Q25 H26 A27 N31	Q25-S29 PolarHBondContact O-N 2.89Å; H26-S29 PolarHBondContact O-N 3.03Å; H26-S29 PolarHBondContact O-OG 3.23Å; A27-S29 VanDerWaalsContact C-N 3.32Å; A27-S29 PolarHBondContact O-N 3.43Å; S29-N31 VanDerWaalsContact C-N 3.34Å
30	L	91.1	Very high	93.7	Very high	69 Å²	69	41.8 Å²	41.8	36%	0.361	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	6.6	172.9	-61.6	176.5	0	0	0	113.4	H26 A27 E28 R32 L245	H26-L30 WeakPolarHBondContact O-CG 3.37Å; H26-L30 PolarHBondContact O-N 3.37Å; A27-L30 CarbonylContact O-C 3.57Å; A27-L30 WeakPolarHBondContact O-CA 3.43Å; A27-L30 WeakPolarHBondContact O-CB 3.41Å; A27-L30 PolarHBondContact O-N 3.27Å; E28-L30 PolarHBondContact O-N 3.28Å; L30-R32 HydrophobicContact CB-CG 4.11Å; L30-R32 PolarHBondContact O-N 3.24Å; L30-L245 HydrophobicContact CD1-CD2 4.01Å
31	N	89.4	Confident	93.4	Very high	160 Å²	160	42 Å²	42	86%	0.856	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	34.2	-171.6	-64.7	-45.4	0	0	0	113.4	A27 E28 S29	A27-N31 PolarHBondContact O-N 2.94Å; E28-N31 PolarHBondContact O-N 3.42Å; S29-N31 VanDerWaalsContact C-N 3.34Å
32	R	89.2	Confident	93.1	Very high	86 Å²	86	44 Å²	44	33%	0.325	24%	0.241	S	C	.	.			trans	-104.9	133.1	174.2	-62.8	-178.8	179.4	-168.2	-1.8	109.4	A27 L30 D249	A27-R32 CarbonylContact C-O 3.4Å; A27-R32 HydrophobicContact CB-CB 4.16Å; A27-R32 WeakPolarHBondContact O-CB 3.5Å; A27-R32 PolarHBondContact O-N 3.48Å; L30-R32 HydrophobicContact CB-CG 4.11Å; L30-R32 PolarHBondContact O-N 3.24Å; R32-D249 IonicContact CZ-OD2 2.98Å; R32-D249 IonicContact NH1-OD2 3.18Å; R32-D249 PolarHBondContact NH1-OD2 3.27Å; R32-D249 IonicContact NH2-OD2 2.7Å
33	S	88.6	Confident	92.7	Very high	91 Å²	91	43.9 Å²	43.9	64%	0.636	24%	0.242	S	C	*	.			trans	-85	118.6	174.3	-175.9	0	0	0	0	109
34	V	93.1	Very high	91.9	Very high	19 Å²	19	51.3 Å²	51.3	12%	0.115	28%	0.277	C	S	.	.			trans	-127	130.5	174.7	173.9	0	0	0	0	108.2	V24 A27 Y102 L104	V24-V34 HydrophobicContact CG2-CG1 4.29Å; A27-V34 HydrophobicContact CB-CB 3.94Å; A27-V34 HydrophobicContact CB-CG2 3.38Å; V34-Y102 WeakPolarHBondContact CA-O 3.23Å; V34-Y102 HydrophobicContact CG1-CD1 4.11Å; V34-Y102 HydrophobicContact CG2-CD1 3.9Å; V34-Y102 HydrophobicContact CG2-CG 4.05Å; V34-L104 HydrophobicContact CG1-CD1 3.73Å; V34-L104 HydrophobicContact CG1-CD2 4Å; V34-L104 HydrophobicContact CG1-CG 3.5Å
35	Q	94.2	Very high	91.1	Very high	62 Å²	62	58.6 Å²	58.6	29%	0.29	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	155.8	-179.2	-69.1	160.6	-34.7	0	0	110	M51 Y102 I103 L104	Q35-M51 HydrophobicContact CB-CB 4.48Å; Q35-M51 HydrophobicContact CB-CE 3.83Å; Q35-M51 HydrophobicContact CG-CE 3.93Å; Q35-Y102 PolarHBondContact N-O 2.9Å; Q35-I103 CarbonylContact O-C 3.59Å; Q35-I103 WeakPolarHBondContact O-CA 3.21Å; Q35-L104 PolarHBondContact O-N 2.91Å
36	V	96	Very high	90.5	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.2	-179.7	-170.1	0	0	0	0	110.3	C20 V24 Y48 V50 M51 L104 D106	C20-V36 HydrophobicContact CB-CG1 4.27Å; C20-V36 HydrophobicContact CB-CG2 4.5Å; V24-V36 HydrophobicContact CG2-CG2 3.39Å; V36-Y48 HydrophobicContact CB-CD2 3.85Å; V36-Y48 HydrophobicContact CB-CE2 3.9Å; V36-Y48 HydrophobicContact CG1-CD2 3.95Å; V36-Y48 HydrophobicContact CG1-CE2 3.45Å; V36-Y48 VanDerWaalsContact CG1-CE2 3.45Å; V36-Y48 HydrophobicContact CG2-CD2 3.89Å; V36-Y48 HydrophobicContact CG2-CE2 4.22Å; V36-V50 CarbonylContact O-C 3.55Å; V36-V50 WeakPolarHBondContact O-CA 3.2Å; V36-M51 PolarHBondContact O-N 3.09Å; V36-L104 CarbonylContact C-O 3.58Å; V36-L104 VanDerWaalsContact CA-O 3.3Å; V36-L104 WeakPolarHBondContact CA-O 3.43Å; V36-L104 HydrophobicContact CG1-CB 4.43Å; V36-L104 HydrophobicContact CG2-CB 4.29Å; V36-L104 HydrophobicContact CG2-CD1 4.31Å; V36-D106 HydrophobicContact CG1-CB 4.39Å
37	V	96.3	Very high	89.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.2	167.6	172.2	0	0	0	0	108	L39 M51 A52 L91 L95 I103 L104 F105 D106	V37-L39 HydrophobicContact CG1-CD2 3.8Å; V37-L39 HydrophobicContact CG1-CG 4.14Å; V37-M51 HydrophobicContact CG2-CB 4.45Å; V37-M51 HydrophobicContact CG2-SD 4.23Å; V37-A52 WeakPolarHBondContact CA-O 3.35Å; V37-A52 HydrophobicContact CG1-CB 4.16Å; V37-A52 HydrophobicContact CG2-CB 4.16Å; V37-L91 HydrophobicContact CG1-CD1 4Å; V37-L95 HydrophobicContact CG2-CD2 3.83Å; V37-I103 HydrophobicContact CB-CG2 4.39Å; V37-I103 HydrophobicContact CG2-CG2 3.75Å; V37-L104 PolarHBondContact N-O 3.04Å; V37-F105 HydrophobicContact CB-CD1 3.76Å; V37-F105 HydrophobicContact CB-CE1 3.94Å; V37-F105 HydrophobicContact CG1-CD1 3.84Å; V37-F105 HydrophobicContact CG1-CE1 4Å; V37-F105 HydrophobicContact CG2-CD1 4.42Å; V37-F105 HydrophobicContact CG2-CE1 4.13Å; V37-F105 WeakPolarHBondContact O-CA 3.3Å; V37-D106 PolarHBondContact O-N 3.16Å
38	N	96.3	Very high	89.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.2	170.8	174.2	54	0	0	0	110	D40 F46 V50 A52 D53 I54	N38-D40 PolarHBondContact ND2-O 2.92Å; N38-D40 PolarHBondContact OD1-N 3.45Å; N38-D40 PolarHBondContact OD1-O 2.74Å; N38-F46 HydrophobicContact CB-CE1 4.13Å; N38-F46 HydrophobicContact CB-CE2 4.27Å; N38-F46 HydrophobicContact CB-CZ 3.69Å; N38-F46 WeakPolarHBondContact ND2-CZ 3.41Å; N38-V50 HydrophobicContact CB-CG1 4.34Å; N38-A52 PolarHBondContact N-O 3.18Å; N38-D53 PolarHBondContact ND2-OD1 2.92Å; N38-I54 PolarHBondContact O-N 3.27Å
39	L	95.6	Very high	89.2	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.335	C	S	.	.			trans	-111.1	4.6	171.5	-62.8	-175	0	0	0	112.8	V37 P41 F84 F105 D106 P108 L123	V37-L39 HydrophobicContact CG1-CD2 3.8Å; V37-L39 HydrophobicContact CG1-CG 4.14Å; L39-P41 VanDerWaalsContact O-CD 3.23Å; L39-P41 WeakPolarHBondContact O-CD 3.31Å; L39-F84 HydrophobicContact CD1-CE1 4.37Å; L39-F84 HydrophobicContact CD1-CZ 4.35Å; L39-F84 HydrophobicContact CD2-CE1 4.13Å; L39-F84 HydrophobicContact CD2-CE2 3.98Å; L39-F84 HydrophobicContact CD2-CZ 3.58Å; L39-F105 HydrophobicContact CD1-CB 4.12Å; L39-F105 HydrophobicContact CD1-CD1 3.73Å; L39-F105 HydrophobicContact CD1-CG 4.34Å; L39-F105 HydrophobicContact CG-CD1 4.11Å; L39-D106 WeakPolarHBondContact CA-O 3.3Å; L39-D106 PolarHBondContact N-O 2.94Å; L39-P108 WeakPolarHBondContact O-CD 3.23Å; L39-P108 VanDerWaalsContact O-CG 3.3Å; L39-P108 WeakPolarHBondContact O-CG 3.32Å; L39-L123 HydrophobicContact CD1-CD2 3.51Å
40	D	93.9	Very high	89.2	Confident	25 Å²	25	60.2 Å²	60.2	13%	0.134	32%	0.324	C	S	.	.			trans	-89.9	106.9	173.2	-168.1	-14.5	0	0	0	111	N38 A42 A43 D106 P108	N38-D40 PolarHBondContact ND2-O 2.92Å; N38-D40 PolarHBondContact OD1-N 3.45Å; N38-D40 PolarHBondContact OD1-O 2.74Å; D40-A42 PolarHBondContact O-N 3.42Å; D40-A42 PolarHBondContact OD1-N 2.9Å; D40-A43 HydrophobicContact CB-CB 4.15Å; D40-A43 WeakPolarHBondContact O-CB 3.33Å; D40-A43 PolarHBondContact O-N 3.34Å; D40-D106 PolarHBondContact N-O 3.42Å; D40-P108 HydrophobicContact CB-CB 4.41Å
41	P	91.1	Very high	89.2	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.032	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.6	-179	34.1	-37.6	0	0	0	113.1	L39 I54 V60 L77 C80	L39-P41 VanDerWaalsContact O-CD 3.23Å; L39-P41 WeakPolarHBondContact O-CD 3.31Å; P41-I54 HydrophobicContact CB-CG2 4.03Å; P41-V60 HydrophobicContact CB-CG2 3.8Å; P41-V60 HydrophobicContact CG-CG2 3.62Å; P41-V60 PolarHBondContact O-N 2.96Å; P41-L77 HydrophobicContact CG-CD1 4.41Å; P41-L77 HydrophobicContact CG-CG 4.31Å; P41-C80 HydrophobicContact CB-CB 4.04Å; P41-C80 HydrophobicContact CG-CB 3.75Å
42	A	88.8	Confident	89.4	Confident	54 Å²	54	52.3 Å²	52.3	45%	0.446	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	7.9	174.3	0	0	0	0	0	113	D40 V60 L77	D40-A42 PolarHBondContact O-N 3.42Å; D40-A42 PolarHBondContact OD1-N 2.9Å; A42-V60 HydrophobicContact CB-CG2 4.17Å; A42-L77 HydrophobicContact CB-CD1 4.33Å
43	A	86.4	Confident	89.7	Confident	15 Å²	15	48.6 Å²	48.6	12%	0.124	27%	0.268	C	S	.	.			trans	-68	136.4	177.9	0	0	0	0	0	112.1	D40 F46 R55	D40-A43 HydrophobicContact CB-CB 4.15Å; D40-A43 WeakPolarHBondContact O-CB 3.33Å; D40-A43 PolarHBondContact O-N 3.34Å; A43-F46 HydrophobicContact CB-CE1 3.61Å; A43-F46 HydrophobicContact CB-CZ 3.47Å; A43-F46 VanDerWaalsContact CB-CZ 3.47Å; A43-R55 WeakPolarHBondContact O-CD 3.33Å; A43-R55 PolarHBondContact O-NH1 2.87Å
44	E	78.7	Confident	90	Very high	158 Å²	158	44.3 Å²	44.3	74%	0.738	24%	0.238	S	C	*	.			trans	-96.5	-48.3	-179.4	-64.8	-179.5	172.9	0	0	112.5	R55	E44-R55 PolarHBondContact O-NH1 2.95Å
45	H	79.7	Confident	90	Very high	160 Å²	160	46.3 Å²	46.3	74%	0.741	24%	0.243	S	C	*	.			trans	-141.6	139.1	-169.9	-63.6	-46.8	0	0	0	112.5
46	F	80.6	Confident	90	Very high	42 Å²	42	50.5 Å²	50.5	18%	0.184	26%	0.263	C	S	.	.			trans	-119.2	146.1	173.7	-51.6	-63.5	0	0	0	111	N38 A43 Y48 V50 R55	N38-F46 HydrophobicContact CB-CE1 4.13Å; N38-F46 HydrophobicContact CB-CE2 4.27Å; N38-F46 HydrophobicContact CB-CZ 3.69Å; N38-F46 WeakPolarHBondContact ND2-CZ 3.41Å; A43-F46 HydrophobicContact CB-CE1 3.61Å; A43-F46 HydrophobicContact CB-CZ 3.47Å; A43-F46 VanDerWaalsContact CB-CZ 3.47Å; F46-Y48 HydrophobicContact CB-CD2 4.45Å; F46-Y48 HydrophobicContact CB-CE1 4.44Å; F46-Y48 HydrophobicContact CB-CE2 4.24Å; F46-Y48 HydrophobicContact CD1-CE2 4.09Å; F46-Y48 AromaticContact CD1-CZ 3.82Å; F46-Y48 HydrophobicContact CG-CE2 4.35Å; F46-V50 HydrophobicContact CD2-CG1 3.94Å; F46-V50 HydrophobicContact CE2-CG1 4.26Å; F46-V50 HydrophobicContact CG-CG1 4.12Å; F46-R55 VanDerWaalsContact CE2-NH2 3.27Å
47	N	81	Confident	89.9	Confident	144 Å²	144	52.3 Å²	52.3	77%	0.77	27%	0.272	S	S	*	.	S	Bend	trans	-105.6	17.8	174.9	-66.4	-35.9	0	0	0	112.2
48	Y	84.9	Confident	89.7	Confident	22 Å²	22	53.2 Å²	53.2	9%	0.086	28%	0.277	C	S	.	.	S	Bend	trans	-145.8	155.6	-175.8	45.5	-91.4	0	0	0	110	S17 C20 V36 F46 V50 D106	S17-Y48 WeakPolarHBondContact CA-OH 3.4Å; S17-Y48 WeakPolarHBondContact CB-OH 3.45Å; S17-Y48 WeakPolarHBondContact O-CE1 3.3Å; C20-Y48 HydrophobicContact CB-CE1 4.21Å; V36-Y48 HydrophobicContact CB-CD2 3.85Å; V36-Y48 HydrophobicContact CB-CE2 3.9Å; V36-Y48 HydrophobicContact CG1-CD2 3.95Å; V36-Y48 HydrophobicContact CG1-CE2 3.45Å; V36-Y48 VanDerWaalsContact CG1-CE2 3.45Å; V36-Y48 HydrophobicContact CG2-CD2 3.89Å; V36-Y48 HydrophobicContact CG2-CE2 4.22Å; F46-Y48 HydrophobicContact CB-CD2 4.45Å; F46-Y48 HydrophobicContact CB-CE1 4.44Å; F46-Y48 HydrophobicContact CB-CE2 4.24Å; F46-Y48 HydrophobicContact CD1-CE2 4.09Å; F46-Y48 AromaticContact CD1-CZ 3.82Å; F46-Y48 HydrophobicContact CG-CE2 4.35Å; Y48-V50 HydrophobicContact CD2-CG1 4.01Å; Y48-V50 HydrophobicContact CE2-CG1 3.82Å; Y48-V50 PolarHBondContact O-N 3.4Å; Y48-D106 PolarHBondContact OH-OD2 3.36Å
49	P	86.4	Confident	89.3	Confident	101 Å²	101	56.8 Å²	56.8	66%	0.656	29%	0.294	S	S	*	.			trans	-66.1	131	172.1	28.3	-33.4	0	0	0	110.1
50	V	91	Very high	89	Confident	49 Å²	49	57.2 Å²	57.2	30%	0.297	30%	0.296	S	S	.	.			trans	-99.7	131.7	171.5	-68.3	0	0	0	0	108.8	V36 N38 F46 Y48 D53	V36-V50 CarbonylContact O-C 3.55Å; V36-V50 WeakPolarHBondContact O-CA 3.2Å; N38-V50 HydrophobicContact CB-CG1 4.34Å; F46-V50 HydrophobicContact CD2-CG1 3.94Å; F46-V50 HydrophobicContact CE2-CG1 4.26Å; F46-V50 HydrophobicContact CG-CG1 4.12Å; Y48-V50 HydrophobicContact CD2-CG1 4.01Å; Y48-V50 HydrophobicContact CE2-CG1 3.82Å; Y48-V50 PolarHBondContact O-N 3.4Å; V50-D53 HydrophobicContact CG2-CB 4.33Å
51	M	92.4	Very high	88.6	Confident	60 Å²	60	61.1 Å²	61.1	30%	0.296	32%	0.317	S	S	.	.	S	Bend	trans	-71.4	-47.3	172.9	169	-168.2	-83	0	0	110.4	Q35 V36 V37 L95 I103	Q35-M51 HydrophobicContact CB-CB 4.48Å; Q35-M51 HydrophobicContact CB-CE 3.83Å; Q35-M51 HydrophobicContact CG-CE 3.93Å; V36-M51 PolarHBondContact O-N 3.09Å; V37-M51 HydrophobicContact CG2-CB 4.45Å; V37-M51 HydrophobicContact CG2-SD 4.23Å; M51-L95 HydrophobicContact SD-CD2 3.72Å; M51-I103 HydrophobicContact SD-CD1 4.45Å
52	A	93.5	Very high	88.4	Confident	3 Å²	3	65.6 Å²	65.6	3%	0.025	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.3	-180	0	0	0	0	0	108.8	V37 N38 W90	V37-A52 WeakPolarHBondContact CA-O 3.35Å; V37-A52 HydrophobicContact CG1-CB 4.16Å; V37-A52 HydrophobicContact CG2-CB 4.16Å; N38-A52 PolarHBondContact N-O 3.18Å; A52-W90 HydrophobicContact CB-CH2 4.16Å
53	D	95.3	Very high	88.4	Confident	9 Å²	9	63.4 Å²	63.4	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.1	-178	-172.9	-11.5	0	0	0	109.7	N38 V50 R55 E56 W90	N38-D53 PolarHBondContact ND2-OD1 2.92Å; V50-D53 HydrophobicContact CG2-CB 4.33Å; D53-R55 PolarHBondContact O-N 3.27Å; D53-R55 VanDerWaalsContact OD1-CB 3.32Å; D53-R55 WeakPolarHBondContact OD1-CB 3.48Å; D53-R55 VanDerWaalsContact OD1-CG 3.3Å; D53-R55 WeakPolarHBondContact OD1-CG 3.43Å; D53-R55 PolarHBondContact OD1-N 3.25Å; D53-R55 IonicContact OD1-NE 3.16Å; D53-R55 PolarHBondContact OD1-NE 2.67Å; D53-R55 VanDerWaalsContact OD1-NE 3.16Å; D53-R55 IonicContact OD2-CZ 3.18Å; D53-R55 IonicContact OD2-NE 2.87Å; D53-R55 PolarHBondContact OD2-NE 2.75Å; D53-R55 IonicContact OD2-NH2 2.67Å; D53-R55 PolarHBondContact OD2-NH2 3.16Å; D53-E56 HydrophobicContact CB-CG 4.39Å; D53-E56 WeakPolarHBondContact O-CB 3.3Å; D53-E56 PolarHBondContact O-N 3.48Å; D53-W90 WeakPolarHBondContact O-CZ2 3.22Å
54	I	95.2	Very high	88.5	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-53.5	-23.9	179.3	-168.9	167.1	0	0	0	112.8	N38 P41 E56 L57 I58 M81 F84	N38-I54 PolarHBondContact O-N 3.27Å; P41-I54 HydrophobicContact CB-CG2 4.03Å; I54-E56 PolarHBondContact O-N 3.06Å; I54-L57 WeakPolarHBondContact O-CA 3.46Å; I54-L57 WeakPolarHBondContact O-CB 3.49Å; I54-L57 PolarHBondContact O-N 2.94Å; I54-I58 HydrophobicContact CG1-CG2 4.38Å; I54-I58 PolarHBondContact O-N 3.25Å; I54-I58 VanDerWaalsContact O-O 3.14Å; I54-M81 HydrophobicContact CD1-SD 4.1Å; I54-F84 HydrophobicContact CD1-CB 3.8Å; I54-F84 HydrophobicContact CD1-CD1 4.29Å; I54-F84 HydrophobicContact CD1-CD2 3.98Å; I54-F84 HydrophobicContact CD1-CG 3.77Å; I54-F84 HydrophobicContact CG1-CD2 4.41Å
55	R	93.4	Very high	88.9	Confident	62 Å²	62	65.7 Å²	65.7	23%	0.234	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-65.8	-15.9	176.9	-62.1	180	-56.8	163	13.9	113.4	A43 E44 F46 D53 L57 Q59	A43-R55 WeakPolarHBondContact O-CD 3.33Å; A43-R55 PolarHBondContact O-NH1 2.87Å; E44-R55 PolarHBondContact O-NH1 2.95Å; F46-R55 VanDerWaalsContact CE2-NH2 3.27Å; D53-R55 PolarHBondContact O-N 3.27Å; D53-R55 VanDerWaalsContact OD1-CB 3.32Å; D53-R55 WeakPolarHBondContact OD1-CB 3.48Å; D53-R55 VanDerWaalsContact OD1-CG 3.3Å; D53-R55 WeakPolarHBondContact OD1-CG 3.43Å; D53-R55 PolarHBondContact OD1-N 3.25Å; D53-R55 IonicContact OD1-NE 3.16Å; D53-R55 PolarHBondContact OD1-NE 2.67Å; D53-R55 VanDerWaalsContact OD1-NE 3.16Å; D53-R55 IonicContact OD2-CZ 3.18Å; D53-R55 IonicContact OD2-NE 2.87Å; D53-R55 PolarHBondContact OD2-NE 2.75Å; D53-R55 IonicContact OD2-NH2 2.67Å; D53-R55 PolarHBondContact OD2-NH2 3.16Å; R55-L57 VanDerWaalsContact C-N 3.35Å; R55-Q59 HydrophobicContact CB-CG 3.89Å; R55-Q59 HydrophobicContact CG-CG 4.42Å; R55-Q59 WeakPolarHBondContact O-CG 3.4Å; R55-Q59 PolarHBondContact O-NE2 3.04Å
56	E	93.3	Very high	89.3	Confident	150 Å²	150	61.3 Å²	61.3	70%	0.701	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-78	-24.3	170.5	-61.6	-178.8	176.3	0	0	112	D53 I54	D53-E56 HydrophobicContact CB-CG 4.39Å; D53-E56 WeakPolarHBondContact O-CB 3.3Å; D53-E56 PolarHBondContact O-N 3.48Å; I54-E56 PolarHBondContact O-N 3.06Å
57	L	93.3	Very high	89.4	Confident	39 Å²	39	66 Å²	66	20%	0.204	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-50.3	175	179.4	66.9	0	0	0	111.4	I54 R55 Y83 F84 N87 W90	I54-L57 WeakPolarHBondContact O-CA 3.46Å; I54-L57 WeakPolarHBondContact O-CB 3.49Å; I54-L57 PolarHBondContact O-N 2.94Å; R55-L57 VanDerWaalsContact C-N 3.35Å; L57-Y83 HydrophobicContact CD1-CE1 3.79Å; L57-Y83 HydrophobicContact CD2-CD1 4.34Å; L57-Y83 HydrophobicContact CD2-CE1 4.4Å; L57-Y83 HydrophobicContact CG-CD1 4.13Å; L57-Y83 HydrophobicContact CG-CE1 3.85Å; L57-F84 HydrophobicContact CD2-CB 4.43Å; L57-F84 HydrophobicContact CD2-CD2 4.08Å; L57-N87 HydrophobicContact CD1-CB 4.42Å; L57-N87 HydrophobicContact CD2-CB 4.23Å; L57-W90 HydrophobicContact CB-CD2 4.08Å; L57-W90 HydrophobicContact CB-CE3 4.44Å; L57-W90 HydrophobicContact CB-CG 4.45Å; L57-W90 HydrophobicContact CB-CZ2 4.41Å; L57-W90 HydrophobicContact CD1-CB 4.32Å; L57-W90 HydrophobicContact CD1-CG 4.13Å; L57-W90 HydrophobicContact CD2-CD2 4.14Å; L57-W90 HydrophobicContact CD2-CE3 4Å; L57-W90 HydrophobicContact CD2-CG 4.37Å; L57-W90 HydrophobicContact CG-CD2 4.49Å
58	I	92	Very high	89.5	Confident	20 Å²	20	63.6 Å²	63.6	10%	0.103	33%	0.334	C	S	.	.			trans	-158.5	136.2	-178.1	-168.3	161	0	0	0	112.3	I54 V63 F79 C80 Y83	I54-I58 HydrophobicContact CG1-CG2 4.38Å; I54-I58 PolarHBondContact O-N 3.25Å; I54-I58 VanDerWaalsContact O-O 3.14Å; I58-V63 HydrophobicContact CD1-CG2 3.76Å; I58-V63 HydrophobicContact CG1-CG2 3.87Å; I58-F79 HydrophobicContact CD1-CD1 4.05Å; I58-F79 HydrophobicContact CD1-CE1 3.82Å; I58-C80 HydrophobicContact CG2-CB 3.93Å; I58-Y83 HydrophobicContact CB-CD1 3.97Å; I58-Y83 HydrophobicContact CB-CE1 4.4Å; I58-Y83 HydrophobicContact CD1-CD1 3.74Å; I58-Y83 HydrophobicContact CD1-CD2 4.42Å; I58-Y83 HydrophobicContact CD1-CE1 4.43Å; I58-Y83 HydrophobicContact CD1-CG 3.73Å; I58-Y83 HydrophobicContact CG1-CD1 4.47Å; I58-Y83 HydrophobicContact CG2-CD1 4.01Å
59	Q	88.6	Confident	89.5	Confident	75 Å²	75	65.2 Å²	65.2	35%	0.35	34%	0.344	S	S	.	.			trans	-112.9	144	177.6	-57.7	-170.5	1.6	0	0	111.5	R55 D61 D62 V63	R55-Q59 HydrophobicContact CB-CG 3.89Å; R55-Q59 HydrophobicContact CG-CG 4.42Å; R55-Q59 WeakPolarHBondContact O-CG 3.4Å; R55-Q59 PolarHBondContact O-NE2 3.04Å; Q59-D61 VanDerWaalsContact C-N 3.31Å; Q59-D61 PolarHBondContact O-N 2.99Å; Q59-D62 HydrophobicContact CB-CB 4.48Å; Q59-D62 PolarHBondContact O-N 2.77Å; Q59-V63 WeakPolarHBondContact O-CG2 3.31Å; Q59-V63 PolarHBondContact O-N 2.82Å
60	V	88.4	Confident	89.3	Confident	8 Å²	8	70.7 Å²	70.7	5%	0.048	35%	0.352	C	S	.	.	H	α-helix	trans	-64.2	-37.9	179	173.7	0	0	0	0	111.6	P41 A42 V63 M64 L77	P41-V60 HydrophobicContact CB-CG2 3.8Å; P41-V60 HydrophobicContact CG-CG2 3.62Å; P41-V60 PolarHBondContact O-N 2.96Å; A42-V60 HydrophobicContact CB-CG2 4.17Å; V60-V63 PolarHBondContact O-N 3.38Å; V60-M64 HydrophobicContact CG1-CG 4.13Å; V60-M64 HydrophobicContact CG1-SD 3.57Å; V60-M64 VanDerWaalsContact CG1-SD 3.57Å; V60-M64 WeakPolarHBondContact O-CB 3.42Å; V60-M64 WeakPolarHBondContact O-CG 3.38Å; V60-M64 PolarHBondContact O-N 2.99Å; V60-L77 HydrophobicContact CG2-CB 4.26Å; V60-L77 HydrophobicContact CG2-CD1 4.46Å
61	D	87.3	Confident	89.3	Confident	107 Å²	107	72.1 Å²	72.1	57%	0.572	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-45.9	-179.4	-69.6	-19.3	0	0	0	111.3	Q59 V63 M64 E65	Q59-D61 VanDerWaalsContact C-N 3.31Å; Q59-D61 PolarHBondContact O-N 2.99Å; D61-V63 VanDerWaalsContact C-N 3.31Å; D61-V63 PolarHBondContact O-N 2.97Å; D61-M64 PolarHBondContact O-N 3.19Å; D61-M64 VanDerWaalsContact O-N 3.15Å; D61-E65 WeakPolarHBondContact O-CG 3.44Å; D61-E65 PolarHBondContact O-N 2.94Å
62	D	86.9	Confident	89	Confident	100 Å²	100	71.2 Å²	71.2	54%	0.535	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-41.9	176.9	-67.2	-26.4	0	0	0	112	Q59 E65 D66	Q59-D62 HydrophobicContact CB-CB 4.48Å; Q59-D62 PolarHBondContact O-N 2.77Å; D62-E65 PolarHBondContact O-N 3.32Å; D62-D66 PolarHBondContact O-N 3.21Å
63	V	88	Confident	88.6	Confident	8 Å²	8	75 Å²	75	5%	0.048	39%	0.385	C	S	.	.	H	α-helix	trans	-68.7	-36.1	178.9	173.8	0	0	0	0	111.6	I58 Q59 V60 D61 L69 F71 F79	I58-V63 HydrophobicContact CD1-CG2 3.76Å; I58-V63 HydrophobicContact CG1-CG2 3.87Å; Q59-V63 WeakPolarHBondContact O-CG2 3.31Å; Q59-V63 PolarHBondContact O-N 2.82Å; V60-V63 PolarHBondContact O-N 3.38Å; D61-V63 VanDerWaalsContact C-N 3.31Å; D61-V63 PolarHBondContact O-N 2.97Å; V63-L69 HydrophobicContact CG1-CD1 4.13Å; V63-F71 HydrophobicContact CG1-CD2 3.89Å; V63-F79 HydrophobicContact CB-CD1 4.41Å; V63-F79 HydrophobicContact CG1-CB 4.25Å; V63-F79 HydrophobicContact CG1-CD1 3.64Å; V63-F79 HydrophobicContact CG1-CE1 4.31Å; V63-F79 HydrophobicContact CG1-CG 4.13Å; V63-F79 HydrophobicContact CG2-CD1 3.78Å; V63-F79 HydrophobicContact CG2-CE1 4.04Å
64	M	87.7	Confident	88.2	Confident	70 Å²	70	79.5 Å²	79.5	35%	0.345	41%	0.408	S	S	.	.	H	α-helix	trans	-74.6	-32.2	178.3	-75.9	177.4	48.7	0	0	112.8	V60 D61 D66 P73	V60-M64 HydrophobicContact CG1-CG 4.13Å; V60-M64 HydrophobicContact CG1-SD 3.57Å; V60-M64 VanDerWaalsContact CG1-SD 3.57Å; V60-M64 WeakPolarHBondContact O-CB 3.42Å; V60-M64 WeakPolarHBondContact O-CG 3.38Å; V60-M64 PolarHBondContact O-N 2.99Å; D61-M64 PolarHBondContact O-N 3.19Å; D61-M64 VanDerWaalsContact O-N 3.15Å; M64-D66 VanDerWaalsContact C-N 3.28Å; M64-P73 HydrophobicContact CE-CG 3.94Å; M64-P73 HydrophobicContact SD-CB 4.2Å; M64-P73 HydrophobicContact SD-CG 4.23Å
65	E	88.9	Confident	87.9	Confident	151 Å²	151	80.9 Å²	80.9	71%	0.706	42%	0.423	S	S	*	.	H	α-helix	trans	-75.4	-16.5	176.4	-71.4	-172.6	178.2	0	0	113	D61 D62 N67	D61-E65 WeakPolarHBondContact O-CG 3.44Å; D61-E65 PolarHBondContact O-N 2.94Å; D62-E65 PolarHBondContact O-N 3.32Å; E65-N67 PolarHBondContact O-N 3.09Å
66	D	87.6	Confident	87.9	Confident	67 Å²	67	78 Å²	78	36%	0.358	41%	0.412	S	S	.	.			trans	-67.2	105.2	175.4	-166.1	-33.1	0	0	0	111.9	D62 M64 S68 L69 R70	D62-D66 PolarHBondContact O-N 3.21Å; M64-D66 VanDerWaalsContact C-N 3.28Å; D66-S68 VanDerWaalsContact CG-OG 3.3Å; D66-S68 PolarHBondContact O-N 3.31Å; D66-S68 VanDerWaalsContact O-N 3.08Å; D66-S68 WeakPolarHBondContact OD1-CA 3.46Å; D66-S68 WeakPolarHBondContact OD1-CB 3.4Å; D66-S68 PolarHBondContact OD1-N 2.93Å; D66-S68 PolarHBondContact OD1-OG 3.26Å; D66-S68 PolarHBondContact OD2-OG 2.86Å; D66-L69 HydrophobicContact CB-CB 4.36Å; D66-L69 HydrophobicContact CB-CD1 4.09Å; D66-L69 HydrophobicContact CB-CG 4.22Å; D66-L69 PolarHBondContact O-N 3.43Å; D66-L69 VanDerWaalsContact O-N 3.11Å; D66-R70 PolarHBondContact O-N 3.45Å
67	N	81.3	Confident	87.8	Confident	141 Å²	141	71 Å²	71	75%	0.754	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.9	179.2	-71.1	-66.4	0	0	0	114.6	E65 R70	E65-N67 PolarHBondContact O-N 3.09Å; N67-R70 WeakPolarHBondContact O-CG 3.5Å; N67-R70 PolarHBondContact O-NE 3.45Å
68	S	84.9	Confident	87.7	Confident	93 Å²	93	71 Å²	71	65%	0.65	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-33.2	177.2	76.3	0	0	0	0	112.6	D66	D66-S68 VanDerWaalsContact CG-OG 3.3Å; D66-S68 PolarHBondContact O-N 3.31Å; D66-S68 VanDerWaalsContact O-N 3.08Å; D66-S68 WeakPolarHBondContact OD1-CA 3.46Å; D66-S68 WeakPolarHBondContact OD1-CB 3.4Å; D66-S68 PolarHBondContact OD1-N 2.93Å; D66-S68 PolarHBondContact OD1-OG 3.26Å; D66-S68 PolarHBondContact OD2-OG 2.86Å
69	L	84.4	Confident	87.7	Confident	57 Å²	57	73 Å²	73	30%	0.298	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-39.6	-176.5	-64.5	178.6	0	0	0	112.4	V63 D66 F71 F79	V63-L69 HydrophobicContact CG1-CD1 4.13Å; D66-L69 HydrophobicContact CB-CB 4.36Å; D66-L69 HydrophobicContact CB-CD1 4.09Å; D66-L69 HydrophobicContact CB-CG 4.22Å; D66-L69 PolarHBondContact O-N 3.43Å; D66-L69 VanDerWaalsContact O-N 3.11Å; L69-F71 HydrophobicContact CB-CD2 3.66Å; L69-F71 HydrophobicContact CB-CE2 3.74Å; L69-F71 HydrophobicContact CB-CG 4.36Å; L69-F71 HydrophobicContact CB-CZ 4.49Å; L69-F71 HydrophobicContact CD1-CD2 4.19Å; L69-F71 HydrophobicContact CD1-CE2 4.01Å; L69-F71 HydrophobicContact CD2-CE2 3.94Å; L69-F71 HydrophobicContact CD2-CZ 4.43Å; L69-F71 HydrophobicContact CG-CD2 4.39Å; L69-F71 HydrophobicContact CG-CE2 4.11Å; L69-F71 PolarHBondContact O-N 3.36Å; L69-F79 HydrophobicContact CD1-CE1 4.44Å; L69-F79 HydrophobicContact CD1-CZ 4.31Å
70	R	83	Confident	88	Confident	216 Å²	216	69.4 Å²	69.4	82%	0.815	37%	0.372	S	S	*	.			trans	52.2	38.5	178.5	-55.2	-177.6	176.7	-178	-3.6	113.6	D66 N67	D66-R70 PolarHBondContact O-N 3.45Å; N67-R70 WeakPolarHBondContact O-CG 3.5Å; N67-R70 PolarHBondContact O-NE 3.45Å
71	F	89.4	Confident	88.3	Confident	79 Å²	79	69 Å²	69	35%	0.346	37%	0.37	S	S	.	.			trans	-77.4	147	177	-67.1	-48.7	0	0	0	111.9	V63 L69 F79	V63-F71 HydrophobicContact CG1-CD2 3.89Å; L69-F71 HydrophobicContact CB-CD2 3.66Å; L69-F71 HydrophobicContact CB-CE2 3.74Å; L69-F71 HydrophobicContact CB-CG 4.36Å; L69-F71 HydrophobicContact CB-CZ 4.49Å; L69-F71 HydrophobicContact CD1-CD2 4.19Å; L69-F71 HydrophobicContact CD1-CE2 4.01Å; L69-F71 HydrophobicContact CD2-CE2 3.94Å; L69-F71 HydrophobicContact CD2-CZ 4.43Å; L69-F71 HydrophobicContact CG-CD2 4.39Å; L69-F71 HydrophobicContact CG-CE2 4.11Å; L69-F71 PolarHBondContact O-N 3.36Å; F71-F79 HydrophobicContact CD2-CB 4.29Å; F71-F79 HydrophobicContact CD2-CG 4.49Å; F71-F79 HydrophobicContact CE2-CB 4.02Å; F71-F79 AromaticContact CE2-CD2 3.75Å; F71-F79 HydrophobicContact CE2-CD2 3.75Å; F71-F79 HydrophobicContact CE2-CE2 4.44Å; F71-F79 AromaticContact CE2-CG 3.96Å; F71-F79 HydrophobicContact CE2-CG 3.96Å; F71-F79 HydrophobicContact CZ-CD2 4.34Å
72	G	87.6	Confident	88.6	Confident	40 Å²	40	68.2 Å²	68.2	41%	0.412	36%	0.363	S	S	.	.			trans	-84.4	175.6	162.6	0	0	0	0	0	111.3	N74 G75 G76	G72-N74 PolarHBondContact O-N 2.89Å; G72-G75 WeakPolarHBondContact O-CA 3.28Å; G72-G75 PolarHBondContact O-N 2.86Å; G72-G76 PolarHBondContact O-N 3.31Å
73	P	85.2	Confident	88.9	Confident	84 Å²	84	67.9 Å²	67.9	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-52.4	-47.6	-172.9	-27.8	33.7	0	0	0	115	M64 G76 L77	M64-P73 HydrophobicContact CE-CG 3.94Å; M64-P73 HydrophobicContact SD-CB 4.2Å; M64-P73 HydrophobicContact SD-CG 4.23Å; P73-G76 PolarHBondContact O-N 3.29Å; P73-L77 PolarHBondContact O-N 3.37Å
74	N	86.8	Confident	89.3	Confident	102 Å²	102	67.5 Å²	67.5	55%	0.545	35%	0.352	S	S	.	.	H	α-helix	trans	-69.6	-34.7	178.4	-67.4	-9.7	0	0	0	112.4	G72 V78	G72-N74 PolarHBondContact O-N 2.89Å; N74-V78 VanDerWaalsContact O-CG2 3.31Å; N74-V78 WeakPolarHBondContact O-CG2 2.91Å; N74-V78 PolarHBondContact O-N 3.1Å
75	G	89.1	Confident	89.6	Confident	30 Å²	30	65 Å²	65	31%	0.309	34%	0.343	S	S	.	.	H	α-helix	trans	-69.5	-40.3	177.3	0	0	0	0	0	112	G72 V78 F79	G72-G75 WeakPolarHBondContact O-CA 3.28Å; G72-G75 PolarHBondContact O-N 2.86Å; G75-V78 PolarHBondContact O-N 3.03Å; G75-F79 PolarHBondContact O-N 3.16Å
76	G	91.6	Very high	89.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.5	-43.8	174.7	0	0	0	0	0	111.4	G72 P73 F79 C80	G72-G76 PolarHBondContact O-N 3.31Å; P73-G76 PolarHBondContact O-N 3.29Å; G76-F79 WeakPolarHBondContact O-CB 3.47Å; G76-F79 PolarHBondContact O-N 2.96Å; G76-C80 PolarHBondContact O-N 3.47Å; G76-C80 PolarHBondContact O-SG 3.48Å
77	L	91.5	Very high	90.3	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-42	177.3	-170.7	137.9	0	0	0	113	P41 A42 V60 P73 F79 C80 M81 P108 Q110 L113	P41-L77 HydrophobicContact CG-CD1 4.41Å; P41-L77 HydrophobicContact CG-CG 4.31Å; A42-L77 HydrophobicContact CB-CD1 4.33Å; V60-L77 HydrophobicContact CG2-CB 4.26Å; V60-L77 HydrophobicContact CG2-CD1 4.46Å; P73-L77 PolarHBondContact O-N 3.37Å; L77-F79 VanDerWaalsContact C-N 3.31Å; L77-F79 PolarHBondContact O-N 2.92Å; L77-C80 PolarHBondContact O-N 3.38Å; L77-M81 HydrophobicContact CD2-CG 4.32Å; L77-M81 WeakPolarHBondContact O-CG 3.48Å; L77-M81 PolarHBondContact O-N 2.94Å; L77-P108 HydrophobicContact CD1-CB 4.37Å; L77-P108 HydrophobicContact CD2-CB 4.3Å; L77-Q110 VanDerWaalsContact CD1-CD 3.41Å; L77-Q110 HydrophobicContact CD1-CG 4.36Å; L77-Q110 HydrophobicContact CD2-CB 4.02Å; L77-Q110 HydrophobicContact CD2-CG 3.88Å; L77-L113 HydrophobicContact CD2-CD1 3.8Å; L77-L113 HydrophobicContact CD2-CD2 4.35Å; L77-L113 HydrophobicContact CD2-CG 4.31Å
78	V	91.7	Very high	91	Very high	39 Å²	39	57.4 Å²	57.4	24%	0.236	31%	0.306	C	S	.	.	H	α-helix	trans	-59.7	-44.3	173.5	170.8	0	0	0	0	110.7	N74 G75 C80 M81 E82 L117	N74-V78 VanDerWaalsContact O-CG2 3.31Å; N74-V78 WeakPolarHBondContact O-CG2 2.91Å; N74-V78 PolarHBondContact O-N 3.1Å; G75-V78 PolarHBondContact O-N 3.03Å; V78-C80 PolarHBondContact O-N 3.49Å; V78-M81 PolarHBondContact O-N 3.03Å; V78-E82 HydrophobicContact CG1-CG 4.4Å; V78-E82 WeakPolarHBondContact O-CG 3.47Å; V78-E82 PolarHBondContact O-N 3.36Å; V78-L117 HydrophobicContact CB-CD1 4.4Å; V78-L117 HydrophobicContact CG1-CD1 3.9Å; V78-L117 HydrophobicContact CG2-CD1 3.67Å
79	F	92.7	Very high	91.4	Very high	62 Å²	62	58.2 Å²	58.2	27%	0.272	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-44.4	176	-179.9	-89.1	0	0	0	112.2	I58 V63 L69 F71 G75 G76 L77 M81 E82 Y83	I58-F79 HydrophobicContact CD1-CD1 4.05Å; I58-F79 HydrophobicContact CD1-CE1 3.82Å; V63-F79 HydrophobicContact CB-CD1 4.41Å; V63-F79 HydrophobicContact CG1-CB 4.25Å; V63-F79 HydrophobicContact CG1-CD1 3.64Å; V63-F79 HydrophobicContact CG1-CE1 4.31Å; V63-F79 HydrophobicContact CG1-CG 4.13Å; V63-F79 HydrophobicContact CG2-CD1 3.78Å; V63-F79 HydrophobicContact CG2-CE1 4.04Å; L69-F79 HydrophobicContact CD1-CE1 4.44Å; L69-F79 HydrophobicContact CD1-CZ 4.31Å; F71-F79 HydrophobicContact CD2-CB 4.29Å; F71-F79 HydrophobicContact CD2-CG 4.49Å; F71-F79 HydrophobicContact CE2-CB 4.02Å; F71-F79 AromaticContact CE2-CD2 3.75Å; F71-F79 HydrophobicContact CE2-CD2 3.75Å; F71-F79 HydrophobicContact CE2-CE2 4.44Å; F71-F79 AromaticContact CE2-CG 3.96Å; F71-F79 HydrophobicContact CE2-CG 3.96Å; F71-F79 HydrophobicContact CZ-CD2 4.34Å; G75-F79 PolarHBondContact O-N 3.16Å; G76-F79 WeakPolarHBondContact O-CB 3.47Å; G76-F79 PolarHBondContact O-N 2.96Å; L77-F79 VanDerWaalsContact C-N 3.31Å; L77-F79 PolarHBondContact O-N 2.92Å; F79-M81 VanDerWaalsContact C-N 3.29Å; F79-M81 PolarHBondContact O-N 3.43Å; F79-E82 PolarHBondContact O-N 3.08Å; F79-Y83 WeakPolarHBondContact O-CB 3.39Å; F79-Y83 PolarHBondContact O-N 3.23Å
80	C	94.3	Very high	92	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.6	-43.7	175.7	-67	0	0	0	0	111.8	P41 I58 G76 L77 V78 Y83 F84	P41-C80 HydrophobicContact CB-CB 4.04Å; P41-C80 HydrophobicContact CG-CB 3.75Å; I58-C80 HydrophobicContact CG2-CB 3.93Å; G76-C80 PolarHBondContact O-N 3.47Å; G76-C80 PolarHBondContact O-SG 3.48Å; L77-C80 PolarHBondContact O-N 3.38Å; V78-C80 PolarHBondContact O-N 3.49Å; C80-Y83 PolarHBondContact O-N 3.26Å; C80-F84 WeakPolarHBondContact O-CB 3.21Å; C80-F84 PolarHBondContact O-N 3.46Å
81	M	94.6	Very high	92.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.6	-37.6	179.6	-66.6	-50.3	-61	0	0	112.3	I54 L77 V78 F79 F84 A85 P108 L113 V119 M120	I54-M81 HydrophobicContact CD1-SD 4.1Å; L77-M81 HydrophobicContact CD2-CG 4.32Å; L77-M81 WeakPolarHBondContact O-CG 3.48Å; L77-M81 PolarHBondContact O-N 2.94Å; V78-M81 PolarHBondContact O-N 3.03Å; F79-M81 VanDerWaalsContact C-N 3.29Å; F79-M81 PolarHBondContact O-N 3.43Å; M81-F84 HydrophobicContact CE-CD1 3.92Å; M81-F84 HydrophobicContact CE-CE1 4.39Å; M81-F84 PolarHBondContact O-N 2.64Å; M81-A85 PolarHBondContact O-N 2.89Å; M81-P108 HydrophobicContact CE-CG 4.23Å; M81-P108 HydrophobicContact CG-CG 4.41Å; M81-P108 HydrophobicContact SD-CG 3.71Å; M81-L113 HydrophobicContact CB-CD2 3.95Å; M81-L113 HydrophobicContact CG-CD1 3.96Å; M81-L113 HydrophobicContact CG-CD2 3.77Å; M81-V119 HydrophobicContact CB-CG1 4.02Å; M81-V119 HydrophobicContact CB-CG2 4.4Å; M81-V119 HydrophobicContact CE-CG1 4.01Å; M81-V119 WeakPolarHBondContact O-CG1 3.33Å; M81-M120 HydrophobicContact CE-SD 4.11Å
82	E	92.9	Very high	92.7	Very high	91 Å²	91	46.6 Å²	46.6	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-66.3	-39.7	172.3	-72.7	-179.8	163.9	0	0	111.9	V78 F79 A85 N86 V119	V78-E82 HydrophobicContact CG1-CG 4.4Å; V78-E82 WeakPolarHBondContact O-CG 3.47Å; V78-E82 PolarHBondContact O-N 3.36Å; F79-E82 PolarHBondContact O-N 3.08Å; E82-A85 PolarHBondContact O-N 2.78Å; E82-N86 PolarHBondContact O-N 2.88Å; E82-N86 PolarHBondContact O-ND2 3.19Å; E82-V119 HydrophobicContact CG-CG2 4.24Å
83	Y	94.8	Very high	93	Very high	93 Å²	93	52.4 Å²	52.4	37%	0.365	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-44.5	174.4	-173.8	-96.8	0	0	0	111	L57 I58 F79 C80 A85 N86 N87	L57-Y83 HydrophobicContact CD1-CE1 3.79Å; L57-Y83 HydrophobicContact CD2-CD1 4.34Å; L57-Y83 HydrophobicContact CD2-CE1 4.4Å; L57-Y83 HydrophobicContact CG-CD1 4.13Å; L57-Y83 HydrophobicContact CG-CE1 3.85Å; I58-Y83 HydrophobicContact CB-CD1 3.97Å; I58-Y83 HydrophobicContact CB-CE1 4.4Å; I58-Y83 HydrophobicContact CD1-CD1 3.74Å; I58-Y83 HydrophobicContact CD1-CD2 4.42Å; I58-Y83 HydrophobicContact CD1-CE1 4.43Å; I58-Y83 HydrophobicContact CD1-CG 3.73Å; I58-Y83 HydrophobicContact CG1-CD1 4.47Å; I58-Y83 HydrophobicContact CG2-CD1 4.01Å; F79-Y83 WeakPolarHBondContact O-CB 3.39Å; F79-Y83 PolarHBondContact O-N 3.23Å; C80-Y83 PolarHBondContact O-N 3.26Å; Y83-A85 PolarHBondContact O-N 3.4Å; Y83-N86 PolarHBondContact O-N 2.82Å; Y83-N86 VanDerWaalsContact O-N 3.17Å; Y83-N87 PolarHBondContact O-N 3.29Å; Y83-N87 PolarHBondContact O-ND2 3Å
84	F	95.8	Very high	93.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-44	173.8	169	-113.2	0	0	0	112.7	L39 I54 L57 C80 M81 N86 N87 F88 W90 L91 L123	L39-F84 HydrophobicContact CD1-CE1 4.37Å; L39-F84 HydrophobicContact CD1-CZ 4.35Å; L39-F84 HydrophobicContact CD2-CE1 4.13Å; L39-F84 HydrophobicContact CD2-CE2 3.98Å; L39-F84 HydrophobicContact CD2-CZ 3.58Å; I54-F84 HydrophobicContact CD1-CB 3.8Å; I54-F84 HydrophobicContact CD1-CD1 4.29Å; I54-F84 HydrophobicContact CD1-CD2 3.98Å; I54-F84 HydrophobicContact CD1-CG 3.77Å; I54-F84 HydrophobicContact CG1-CD2 4.41Å; L57-F84 HydrophobicContact CD2-CB 4.43Å; L57-F84 HydrophobicContact CD2-CD2 4.08Å; C80-F84 WeakPolarHBondContact O-CB 3.21Å; C80-F84 PolarHBondContact O-N 3.46Å; M81-F84 HydrophobicContact CE-CD1 3.92Å; M81-F84 HydrophobicContact CE-CE1 4.39Å; M81-F84 PolarHBondContact O-N 2.64Å; F84-N86 PolarHBondContact O-N 3.23Å; F84-N87 CarbonylContact O-C 3.34Å; F84-N87 PolarHBondContact O-N 3.4Å; F84-F88 AromaticContact CD1-CE1 3.94Å; F84-F88 HydrophobicContact CD1-CE1 3.94Å; F84-F88 HydrophobicContact CE1-CD1 4.16Å; F84-F88 AromaticContact CE1-CE1 3.57Å; F84-F88 HydrophobicContact CE1-CE1 3.57Å; F84-F88 HydrophobicContact CE2-CD1 4.21Å; F84-F88 HydrophobicContact CE2-CE1 4.43Å; F84-F88 AromaticContact CZ-CD1 3.97Å; F84-F88 HydrophobicContact CZ-CD1 3.97Å; F84-F88 AromaticContact CZ-CE1 3.83Å; F84-F88 HydrophobicContact CZ-CE1 3.83Å; F84-F88 PolarHBondContact O-N 2.87Å; F84-W90 HydrophobicContact CD2-CE3 4.4Å; F84-W90 HydrophobicContact CD2-CZ3 4.44Å; F84-W90 HydrophobicContact CE2-CE3 4.2Å; F84-W90 HydrophobicContact CE2-CZ3 4.09Å; F84-L91 HydrophobicContact CE2-CB 4.14Å; F84-L91 HydrophobicContact CE2-CD2 4.24Å; F84-L91 HydrophobicContact CZ-CD2 3.89Å; F84-L123 HydrophobicContact CE1-CD1 4.12Å; F84-L123 HydrophobicContact CE1-CD2 4.31Å; F84-L123 HydrophobicContact CZ-CD1 4Å
85	A	94.3	Very high	93.5	Very high	17 Å²	17	45.7 Å²	45.7	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-26.9	177	0	0	0	0	0	113.9	M81 E82 Y83 N87 F88 V119	M81-A85 PolarHBondContact O-N 2.89Å; E82-A85 PolarHBondContact O-N 2.78Å; Y83-A85 PolarHBondContact O-N 3.4Å; A85-N87 VanDerWaalsContact C-N 3.34Å; A85-F88 HydrophobicContact CB-CZ 4.14Å; A85-V119 HydrophobicContact CB-CG1 4.09Å; A85-V119 HydrophobicContact CB-CG2 4.3Å
86	N	95.1	Very high	93.3	Very high	132 Å²	132	45.4 Å²	45.4	71%	0.706	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.8	175.1	-70.3	-61.4	0	0	0	113.5	E82 Y83 F84	E82-N86 PolarHBondContact O-N 2.88Å; E82-N86 PolarHBondContact O-ND2 3.19Å; Y83-N86 PolarHBondContact O-N 2.82Å; Y83-N86 VanDerWaalsContact O-N 3.17Å; F84-N86 PolarHBondContact O-N 3.23Å
87	N	95.8	Very high	92.5	Very high	50 Å²	50	53.4 Å²	53.4	27%	0.267	27%	0.269	S	S	.	.			trans	-132.9	41.3	-174.3	-64.6	-84.7	0	0	0	111.4	L57 Y83 F84 A85 D89 W90	L57-N87 HydrophobicContact CD1-CB 4.42Å; L57-N87 HydrophobicContact CD2-CB 4.23Å; Y83-N87 PolarHBondContact O-N 3.29Å; Y83-N87 PolarHBondContact O-ND2 3Å; F84-N87 CarbonylContact O-C 3.34Å; F84-N87 PolarHBondContact O-N 3.4Å; A85-N87 VanDerWaalsContact C-N 3.34Å; N87-D89 PolarHBondContact O-N 2.67Å; N87-W90 WeakPolarHBondContact O-CB 3.27Å; N87-W90 PolarHBondContact O-N 3.29Å; N87-W90 VanDerWaalsContact O-N 3.09Å
88	F	95.5	Very high	91.6	Very high	18 Å²	18	57 Å²	57	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-23	175.9	-73.1	-34.6	0	0	0	113.5	F84 A85 W90 L91 E92 Q122 L123 Q126 W130	F84-F88 AromaticContact CD1-CE1 3.94Å; F84-F88 HydrophobicContact CD1-CE1 3.94Å; F84-F88 HydrophobicContact CE1-CD1 4.16Å; F84-F88 AromaticContact CE1-CE1 3.57Å; F84-F88 HydrophobicContact CE1-CE1 3.57Å; F84-F88 HydrophobicContact CE2-CD1 4.21Å; F84-F88 HydrophobicContact CE2-CE1 4.43Å; F84-F88 AromaticContact CZ-CD1 3.97Å; F84-F88 HydrophobicContact CZ-CD1 3.97Å; F84-F88 AromaticContact CZ-CE1 3.83Å; F84-F88 HydrophobicContact CZ-CE1 3.83Å; F84-F88 PolarHBondContact O-N 2.87Å; A85-F88 HydrophobicContact CB-CZ 4.14Å; F88-W90 PolarHBondContact O-N 3.42Å; F88-L91 WeakPolarHBondContact O-CA 3.46Å; F88-L91 WeakPolarHBondContact O-CB 3.35Å; F88-L91 PolarHBondContact O-N 3.33Å; F88-E92 PolarHBondContact O-N 3.38Å; F88-Q122 HydrophobicContact CE2-CB 4.06Å; F88-Q122 HydrophobicContact CZ-CB 4.19Å; F88-L123 HydrophobicContact CD1-CD1 4.38Å; F88-L123 HydrophobicContact CE1-CB 4.2Å; F88-L123 HydrophobicContact CE1-CD1 3.88Å; F88-L123 HydrophobicContact CZ-CB 3.98Å; F88-L123 HydrophobicContact CZ-CD1 4.37Å; F88-Q126 HydrophobicContact CB-CG 4.15Å; F88-Q126 HydrophobicContact CD2-CB 3.91Å; F88-Q126 HydrophobicContact CD2-CG 3.74Å; F88-Q126 HydrophobicContact CE2-CB 4.03Å; F88-Q126 HydrophobicContact CE2-CG 4.37Å; F88-Q126 HydrophobicContact CG-CG 4.1Å; F88-W130 HydrophobicContact CB-CH2 4Å; F88-W130 HydrophobicContact CB-CZ2 4.22Å; F88-W130 WeakPolarHBondContact O-CH2 3.44Å
89	D	94.4	Very high	90.4	Very high	110 Å²	110	61.6 Å²	61.6	59%	0.588	31%	0.31	S	S	*	.	H	α-helix	trans	-54.5	-37.2	172.7	-58.8	-18.2	0	0	0	111.8	N87 L91 E92 E93	N87-D89 PolarHBondContact O-N 2.67Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.36Å; D89-E92 PolarHBondContact O-N 3.03Å; D89-E93 WeakPolarHBondContact O-CB 3.45Å; D89-E93 WeakPolarHBondContact O-CG 3.33Å; D89-E93 PolarHBondContact O-N 2.98Å
90	W	95.9	Very high	89.4	Confident	43 Å²	43	61.7 Å²	61.7	16%	0.163	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-41.5	174.6	167.5	83.8	0	0	0	111.8	A52 D53 L57 F84 N87 F88 S94	A52-W90 HydrophobicContact CB-CH2 4.16Å; D53-W90 WeakPolarHBondContact O-CZ2 3.22Å; L57-W90 HydrophobicContact CB-CD2 4.08Å; L57-W90 HydrophobicContact CB-CE3 4.44Å; L57-W90 HydrophobicContact CB-CG 4.45Å; L57-W90 HydrophobicContact CB-CZ2 4.41Å; L57-W90 HydrophobicContact CD1-CB 4.32Å; L57-W90 HydrophobicContact CD1-CG 4.13Å; L57-W90 HydrophobicContact CD2-CD2 4.14Å; L57-W90 HydrophobicContact CD2-CE3 4Å; L57-W90 HydrophobicContact CD2-CG 4.37Å; L57-W90 HydrophobicContact CG-CD2 4.49Å; F84-W90 HydrophobicContact CD2-CE3 4.4Å; F84-W90 HydrophobicContact CD2-CZ3 4.44Å; F84-W90 HydrophobicContact CE2-CE3 4.2Å; F84-W90 HydrophobicContact CE2-CZ3 4.09Å; N87-W90 WeakPolarHBondContact O-CB 3.27Å; N87-W90 PolarHBondContact O-N 3.29Å; N87-W90 VanDerWaalsContact O-N 3.09Å; F88-W90 PolarHBondContact O-N 3.42Å; W90-S94 WeakPolarHBondContact O-CB 3.5Å; W90-S94 PolarHBondContact O-N 3.07Å; W90-S94 PolarHBondContact O-OG 3.12Å
91	L	94.9	Very high	88.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.4	-44.1	176.9	179.4	63	0	0	0	110.4	V37 F84 F88 D89 E93 S94 L95 F105 L123 W130	V37-L91 HydrophobicContact CG1-CD1 4Å; F84-L91 HydrophobicContact CE2-CB 4.14Å; F84-L91 HydrophobicContact CE2-CD2 4.24Å; F84-L91 HydrophobicContact CZ-CD2 3.89Å; F88-L91 WeakPolarHBondContact O-CA 3.46Å; F88-L91 WeakPolarHBondContact O-CB 3.35Å; F88-L91 PolarHBondContact O-N 3.33Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.36Å; L91-E93 VanDerWaalsContact C-N 3.33Å; L91-E93 PolarHBondContact O-N 3.26Å; L91-S94 PolarHBondContact O-N 3.28Å; L91-S94 VanDerWaalsContact O-N 3.16Å; L91-L95 HydrophobicContact CD1-CD1 4.08Å; L91-L95 HydrophobicContact CD1-CD2 4.18Å; L91-L95 HydrophobicContact CD1-CG 3.82Å; L91-L95 HydrophobicContact CD2-CD1 4.29Å; L91-L95 HydrophobicContact CG-CD1 3.81Å; L91-L95 HydrophobicContact CG-CG 3.99Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 WeakPolarHBondContact O-CG 3.31Å; L91-L95 PolarHBondContact O-N 3.43Å; L91-F105 HydrophobicContact CD1-CE1 4.31Å; L91-F105 HydrophobicContact CD2-CE1 4.1Å; L91-L123 HydrophobicContact CD2-CD1 3.83Å; L91-W130 HydrophobicContact CB-CH2 4.38Å; L91-W130 HydrophobicContact CD2-CH2 4.39Å; L91-W130 HydrophobicContact CD2-CZ3 3.99Å; L91-W130 HydrophobicContact CG-CH2 4.46Å; L91-W130 HydrophobicContact CG-CZ3 4.23Å
92	E	93.1	Very high	88.8	Confident	64 Å²	64	62.3 Å²	62.3	30%	0.299	32%	0.316	S	S	.	.	H	α-helix	trans	-57.3	-46.8	177.6	-169.3	169.3	-167.4	0	0	111.6	F88 D89 S94 L95 G96 W130	F88-E92 PolarHBondContact O-N 3.38Å; D89-E92 PolarHBondContact O-N 3.03Å; E92-S94 VanDerWaalsContact C-N 3.33Å; E92-S94 PolarHBondContact O-N 3.49Å; E92-L95 PolarHBondContact O-N 2.79Å; E92-G96 PolarHBondContact O-N 3.21Å; E92-W130 HydrophobicContact CB-CH2 3.96Å; E92-W130 HydrophobicContact CB-CZ2 3.58Å; E92-W130 HydrophobicContact CG-CZ2 4.06Å; E92-W130 PolarHBondContact OE1-NE1 3.2Å; E92-W130 PolarHBondContact OE2-NE1 2.98Å
93	E	92.8	Very high	89	Confident	163 Å²	163	58 Å²	58	76%	0.762	30%	0.296	S	S	*	.	H	α-helix	trans	-61.3	-41.3	176.1	-73.1	-179.4	-179.5	0	0	112	D89 L91 G96	D89-E93 WeakPolarHBondContact O-CB 3.45Å; D89-E93 WeakPolarHBondContact O-CG 3.33Å; D89-E93 PolarHBondContact O-N 2.98Å; L91-E93 VanDerWaalsContact C-N 3.33Å; L91-E93 PolarHBondContact O-N 3.26Å; E93-G96 PolarHBondContact O-N 3.37Å
94	S	91.4	Very high	89.1	Confident	41 Å²	41	53.6 Å²	53.6	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-69.7	-37.4	179.6	-57.8	0	0	0	0	112.7	W90 L91 E92 G96	W90-S94 WeakPolarHBondContact O-CB 3.5Å; W90-S94 PolarHBondContact O-N 3.07Å; W90-S94 PolarHBondContact O-OG 3.12Å; L91-S94 PolarHBondContact O-N 3.28Å; L91-S94 VanDerWaalsContact O-N 3.16Å; E92-S94 VanDerWaalsContact C-N 3.33Å; E92-S94 PolarHBondContact O-N 3.49Å; S94-G96 VanDerWaalsContact C-N 3.33Å
95	L	90.6	Very high	89.2	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-71.7	-29.4	176.4	-71.2	-178	0	0	0	112.1	R3 V37 M51 L91 E92 I103 F105 W130 F132	R3-L95 PolarHBondContact NH2-O 2.96Å; V37-L95 HydrophobicContact CG2-CD2 3.83Å; M51-L95 HydrophobicContact SD-CD2 3.72Å; L91-L95 HydrophobicContact CD1-CD1 4.08Å; L91-L95 HydrophobicContact CD1-CD2 4.18Å; L91-L95 HydrophobicContact CD1-CG 3.82Å; L91-L95 HydrophobicContact CD2-CD1 4.29Å; L91-L95 HydrophobicContact CG-CD1 3.81Å; L91-L95 HydrophobicContact CG-CG 3.99Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 WeakPolarHBondContact O-CG 3.31Å; L91-L95 PolarHBondContact O-N 3.43Å; E92-L95 PolarHBondContact O-N 2.79Å; L95-I103 HydrophobicContact CD2-CD1 3.5Å; L95-F105 HydrophobicContact CD1-CZ 4.36Å; L95-F105 HydrophobicContact CD2-CZ 4.41Å; L95-W130 HydrophobicContact CD1-CE3 4.33Å; L95-W130 HydrophobicContact CD1-CZ3 4.16Å; L95-F132 HydrophobicContact CD1-CE2 4.27Å; L95-F132 HydrophobicContact CD1-CZ 4.15Å
96	G	86.3	Confident	89.3	Confident	24 Å²	24	52.8 Å²	52.8	25%	0.247	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	-166.4	-174.5	0	0	0	0	0	113.7	R3 E92 E93 S94	R3-G96 PolarHBondContact NH1-O 2.82Å; R3-G96 PolarHBondContact NH2-O 3.34Å; E92-G96 PolarHBondContact O-N 3.21Å; E93-G96 PolarHBondContact O-N 3.37Å; S94-G96 VanDerWaalsContact C-N 3.33Å
97	H	73.9	Confident	89.3	Confident	167 Å²	167	46.5 Å²	46.5	77%	0.773	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.4	62.4	-179.9	-57.6	-57.7	0	0	0	110.8
98	V	72.3	Confident	89.2	Confident	80 Å²	80	44.1 Å²	44.1	49%	0.485	23%	0.226	S	C	.	.			trans	-95.7	126.8	174.8	-174.4	0	0	0	0	108.6	R3 D101	R3-V98 PolarHBondContact NE-O 2.62Å; V98-D101 WeakPolarHBondContact CB-OD1 3.29Å; V98-D101 WeakPolarHBondContact CB-OD2 3.29Å; V98-D101 WeakPolarHBondContact CG1-OD1 3.49Å
99	E	68.3	Low	88.9	Confident	134 Å²	134	43.6 Å²	43.6	63%	0.626	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	149.7	174.4	-63.2	-166.4	-156.3	0	0	110.2	M1 D101	M1-E99 PolarHBondContact N-OE2 2.82Å; E99-D101 VanDerWaalsContact C-N 3.33Å; E99-D101 PolarHBondContact O-N 3.36Å
100	D	70.1	Confident	88.8	Confident	65 Å²	65	40.5 Å²	40.5	35%	0.348	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	26.8	-178	-60.9	-38.1	0	0	0	116	M1 Y102	M1-D100 WeakPolarHBondContact CB-OD1 3.22Å; D100-Y102 PolarHBondContact O-N 3.15Å
101	D	84.3	Confident	88.3	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.043	22%	0.216	C	C	.	.			trans	-68.4	132	174.8	-76.9	-18.4	0	0	0	112.2	R3 Y4 V98 E99 I103	R3-D101 IonicContact CZ-OD2 2.7Å; R3-D101 IonicContact NE-OD2 3.61Å; R3-D101 PolarHBondContact NE-OD2 2.89Å; R3-D101 IonicContact NH2-OD2 2.7Å; R3-D101 PolarHBondContact NH2-OD2 3.38Å; Y4-D101 PolarHBondContact N-O 3.02Å; V98-D101 WeakPolarHBondContact CB-OD1 3.29Å; V98-D101 WeakPolarHBondContact CB-OD2 3.29Å; V98-D101 WeakPolarHBondContact CG1-OD1 3.49Å; E99-D101 VanDerWaalsContact C-N 3.33Å; E99-D101 PolarHBondContact O-N 3.36Å; D101-I103 HydrophobicContact CB-CD1 3.98Å; D101-I103 HydrophobicContact CB-CG1 3.9Å
102	Y	93	Very high	87.8	Confident	5 Å²	5	46.1 Å²	46.1	2%	0.02	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	108.6	166.7	-159.4	-61.1	0	0	0	109	Q6 V34 Q35 D100 L104 D249 I252 Y254	Q6-Y102 HydrophobicContact CG-CE1 3.79Å; Q6-Y102 VanDerWaalsContact NE2-CE1 3.26Å; Q6-Y102 PolarHBondContact NE2-OH 3.11Å; V34-Y102 WeakPolarHBondContact CA-O 3.23Å; V34-Y102 HydrophobicContact CG1-CD1 4.11Å; V34-Y102 HydrophobicContact CG2-CD1 3.9Å; V34-Y102 HydrophobicContact CG2-CG 4.05Å; Q35-Y102 PolarHBondContact N-O 2.9Å; D100-Y102 PolarHBondContact O-N 3.15Å; Y102-L104 HydrophobicContact CD1-CD2 4.27Å; Y102-L104 HydrophobicContact CE1-CD2 3.94Å; Y102-D249 WeakPolarHBondContact CE2-OD1 3.33Å; Y102-D249 PolarHBondContact OH-OD1 2.95Å; Y102-I252 HydrophobicContact CE2-CD1 3.93Å; Y102-Y254 AromaticContact CD2-CD2 3.68Å; Y102-Y254 HydrophobicContact CD2-CD2 3.68Å; Y102-Y254 HydrophobicContact CD2-CE1 4.48Å; Y102-Y254 AromaticContact CD2-CE2 3.58Å; Y102-Y254 HydrophobicContact CD2-CE2 3.58Å; Y102-Y254 HydrophobicContact CD2-CG 4.21Å; Y102-Y254 AromaticContact CD2-CZ 3.99Å; Y102-Y254 HydrophobicContact CE2-CD1 4.3Å; Y102-Y254 AromaticContact CE2-CD2 3.86Å; Y102-Y254 HydrophobicContact CE2-CD2 3.86Å; Y102-Y254 HydrophobicContact CE2-CE2 4.16Å; Y102-Y254 AromaticContact CE2-CG 3.94Å; Y102-Y254 HydrophobicContact CE2-CG 3.94Å
103	I	95.9	Very high	87.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.9	-169.7	-48.5	-170.8	0	0	0	110.6	Y4 A5 Q6 Q35 V37 M51 L95 D101 F105 F132	Y4-I103 PolarHBondContact O-N 3.26Å; A5-I103 CarbonylContact C-O 3.38Å; A5-I103 WeakPolarHBondContact CA-O 3.37Å; Q6-I103 PolarHBondContact N-O 3.28Å; Q35-I103 CarbonylContact O-C 3.59Å; Q35-I103 WeakPolarHBondContact O-CA 3.21Å; V37-I103 HydrophobicContact CB-CG2 4.39Å; V37-I103 HydrophobicContact CG2-CG2 3.75Å; M51-I103 HydrophobicContact SD-CD1 4.45Å; L95-I103 HydrophobicContact CD2-CD1 3.5Å; D101-I103 HydrophobicContact CB-CD1 3.98Å; D101-I103 HydrophobicContact CB-CG1 3.9Å; I103-F105 HydrophobicContact CB-CE2 3.94Å; I103-F105 HydrophobicContact CB-CZ 4.41Å; I103-F105 HydrophobicContact CG2-CD2 4.12Å; I103-F105 HydrophobicContact CG2-CE1 4.43Å; I103-F105 HydrophobicContact CG2-CE2 3.67Å; I103-F105 HydrophobicContact CG2-CZ 3.86Å; I103-F132 HydrophobicContact CD1-CE1 3.84Å; I103-F132 HydrophobicContact CD1-CZ 3.87Å; I103-F132 HydrophobicContact CG1-CE1 4.18Å
104	L	97.6	Very high	87.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.3	167.8	-48.3	-177.5	0	0	0	108.5	Q6 C20 M23 V24 V34 Q35 V36 V37 Y102	Q6-L104 HydrophobicContact CB-CD2 3.62Å; Q6-L104 HydrophobicContact CG-CD2 3.65Å; C20-L104 HydrophobicContact CB-CD1 4.35Å; M23-L104 HydrophobicContact CB-CD1 4Å; M23-L104 HydrophobicContact CG-CD1 4.21Å; V24-L104 HydrophobicContact CG2-CD1 4.19Å; V34-L104 HydrophobicContact CG1-CD1 3.73Å; V34-L104 HydrophobicContact CG1-CD2 4Å; V34-L104 HydrophobicContact CG1-CG 3.5Å; Q35-L104 PolarHBondContact O-N 2.91Å; V36-L104 CarbonylContact C-O 3.58Å; V36-L104 VanDerWaalsContact CA-O 3.3Å; V36-L104 WeakPolarHBondContact CA-O 3.43Å; V36-L104 HydrophobicContact CG1-CB 4.43Å; V36-L104 HydrophobicContact CG2-CB 4.29Å; V36-L104 HydrophobicContact CG2-CD1 4.31Å; V37-L104 PolarHBondContact N-O 3.04Å; Y102-L104 HydrophobicContact CD1-CD2 4.27Å; Y102-L104 HydrophobicContact CE1-CD2 3.94Å
105	F	97.3	Very high	86.5	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	110.5	170.5	-65.7	-94.1	0	0	0	108.1	A5 Q6 L7 V8 V37 L39 L91 L95 I103 C107 L127	A5-F105 HydrophobicContact CB-CD2 4.11Å; A5-F105 HydrophobicContact CB-CE2 3.69Å; Q6-F105 PolarHBondContact O-N 3.37Å; L7-F105 HydrophobicContact CD2-CB 3.65Å; L7-F105 HydrophobicContact CD2-CD2 3.77Å; L7-F105 HydrophobicContact CD2-CG 3.77Å; V8-F105 WeakPolarHBondContact CB-O 3.48Å; V8-F105 PolarHBondContact N-O 2.82Å; V37-F105 HydrophobicContact CB-CD1 3.76Å; V37-F105 HydrophobicContact CB-CE1 3.94Å; V37-F105 HydrophobicContact CG1-CD1 3.84Å; V37-F105 HydrophobicContact CG1-CE1 4Å; V37-F105 HydrophobicContact CG2-CD1 4.42Å; V37-F105 HydrophobicContact CG2-CE1 4.13Å; V37-F105 WeakPolarHBondContact O-CA 3.3Å; L39-F105 HydrophobicContact CD1-CB 4.12Å; L39-F105 HydrophobicContact CD1-CD1 3.73Å; L39-F105 HydrophobicContact CD1-CG 4.34Å; L39-F105 HydrophobicContact CG-CD1 4.11Å; L91-F105 HydrophobicContact CD1-CE1 4.31Å; L91-F105 HydrophobicContact CD2-CE1 4.1Å; L95-F105 HydrophobicContact CD1-CZ 4.36Å; L95-F105 HydrophobicContact CD2-CZ 4.41Å; I103-F105 HydrophobicContact CB-CE2 3.94Å; I103-F105 HydrophobicContact CB-CZ 4.41Å; I103-F105 HydrophobicContact CG2-CD2 4.12Å; I103-F105 HydrophobicContact CG2-CE1 4.43Å; I103-F105 HydrophobicContact CG2-CE2 3.67Å; I103-F105 HydrophobicContact CG2-CZ 3.86Å; F105-C107 PolarHBondContact O-N 3.45Å; F105-C107 PolarHBondContact O-SG 2.81Å; F105-C107 VanDerWaalsContact O-SG 3.37Å; F105-L127 HydrophobicContact CE1-CD2 4.41Å; F105-L127 HydrophobicContact CE2-CD1 4.24Å; F105-L127 HydrophobicContact CE2-CD2 4.17Å; F105-L127 HydrophobicContact CZ-CD1 4.33Å; F105-L127 HydrophobicContact CZ-CD2 3.69Å
106	D	96.6	Very high	86	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	99.5	172.9	-169.9	18.3	0	0	0	108.7	K16 S17 V36 V37 L39 D40 Y48	K16-D106 WeakPolarHBondContact CB-OD1 3.5Å; S17-D106 WeakPolarHBondContact CA-OD2 3.26Å; S17-D106 VanDerWaalsContact CB-OD2 3.23Å; S17-D106 WeakPolarHBondContact CB-OD2 2.92Å; S17-D106 PolarHBondContact N-OD1 2.81Å; S17-D106 PolarHBondContact OG-OD2 3.17Å; V36-D106 HydrophobicContact CG1-CB 4.39Å; V37-D106 PolarHBondContact O-N 3.16Å; L39-D106 WeakPolarHBondContact CA-O 3.3Å; L39-D106 PolarHBondContact N-O 2.94Å; D40-D106 PolarHBondContact N-O 3.42Å; Y48-D106 PolarHBondContact OH-OD2 3.36Å
107	C	95.2	Very high	86	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.			trans	-91.3	158.7	-170.9	-54	0	0	0	0	112.2	V8 K16 F105 Y114	V8-C107 VanDerWaalsContact O-CB 3.28Å; V8-C107 WeakPolarHBondContact O-CB 3.33Å; V8-C107 PolarHBondContact O-N 3.45Å; K16-C107 WeakPolarHBondContact CD-O 3.41Å; K16-C107 WeakPolarHBondContact CE-O 3.37Å; F105-C107 PolarHBondContact O-N 3.45Å; F105-C107 PolarHBondContact O-SG 2.81Å; F105-C107 VanDerWaalsContact O-SG 3.37Å; C107-Y114 HydrophobicContact CB-CE1 4.16Å; C107-Y114 WeakPolarHBondContact CB-OH 3.37Å
108	P	93.8	Very high	86.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.			trans	-60.7	154.5	-179.4	-14.3	22.2	0	0	0	114.1	L39 D40 L77 M81 Q110 L113 Y114	L39-P108 WeakPolarHBondContact O-CD 3.23Å; L39-P108 VanDerWaalsContact O-CG 3.3Å; L39-P108 WeakPolarHBondContact O-CG 3.32Å; D40-P108 HydrophobicContact CB-CB 4.41Å; L77-P108 HydrophobicContact CD1-CB 4.37Å; L77-P108 HydrophobicContact CD2-CB 4.3Å; M81-P108 HydrophobicContact CE-CG 4.23Å; M81-P108 HydrophobicContact CG-CG 4.41Å; M81-P108 HydrophobicContact SD-CG 3.71Å; P108-Q110 VanDerWaalsContact C-N 3.34Å; P108-Q110 PolarHBondContact O-N 2.87Å; P108-L113 HydrophobicContact CB-CD1 3.63Å; P108-L113 HydrophobicContact CG-CD1 3.61Å; P108-Y114 WeakPolarHBondContact O-CE2 3.28Å; P108-Y114 PolarHBondContact O-OH 2.8Å
109	G	90.3	Very high	87.7	Confident	6 Å²	6	35.2 Å²	35.2	6%	0.062	18%	0.18	C	C	.	.	S	Bend	trans	-78.2	-6.8	-177.2	0	0	0	0	0	117.1	P11 A12 K16 I111	P11-G109 CarbonylContact C-O 3.53Å; P11-G109 WeakPolarHBondContact CA-O 3.49Å; A12-G109 PolarHBondContact N-O 2.88Å; K16-G109 VanDerWaalsContact NZ-CA 3.25Å; G109-I111 PolarHBondContact O-N 2.86Å
110	Q	91.3	Very high	88.9	Confident	45 Å²	45	28.9 Å²	28.9	21%	0.21	15%	0.15	C	C	.	.			trans	-80.4	112.2	-175.9	-70	72.5	12.6	0	0	109.3	L77 P108 E112 L113 Y114	L77-Q110 VanDerWaalsContact CD1-CD 3.41Å; L77-Q110 HydrophobicContact CD1-CG 4.36Å; L77-Q110 HydrophobicContact CD2-CB 4.02Å; L77-Q110 HydrophobicContact CD2-CG 3.88Å; P108-Q110 VanDerWaalsContact C-N 3.34Å; P108-Q110 PolarHBondContact O-N 2.87Å; Q110-E112 PolarHBondContact O-N 3.48Å; Q110-L113 HydrophobicContact CB-CD1 4.37Å; Q110-L113 HydrophobicContact CB-CG 4.36Å; Q110-L113 WeakPolarHBondContact O-CB 3.33Å; Q110-L113 PolarHBondContact O-N 3.33Å; Q110-Y114 WeakPolarHBondContact O-CE2 3.48Å
111	I	84.9	Confident	90	Very high	70 Å²	70	30 Å²	30	36%	0.359	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-66.5	-24.6	-172.5	60.1	172.1	0	0	0	112.7	P11 G109 L113 Y114 T115	P11-I111 HydrophobicContact CB-CG2 4.04Å; P11-I111 HydrophobicContact CG-CG2 3.9Å; G109-I111 PolarHBondContact O-N 2.86Å; I111-L113 PolarHBondContact O-N 3.14Å; I111-Y114 PolarHBondContact O-N 2.96Å; I111-T115 PolarHBondContact O-N 2.81Å; I111-T115 PolarHBondContact O-OG1 3.47Å
112	E	85.7	Confident	90.5	Very high	92 Å²	92	33.4 Å²	33.4	43%	0.43	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-60.2	-26.5	-179.8	-61.9	84.7	172.2	0	0	112.4	Q110 Y114 H116 L117	Q110-E112 PolarHBondContact O-N 3.48Å; E112-Y114 PolarHBondContact O-N 3.43Å; E112-H116 PolarHBondContact O-N 2.79Å; E112-H116 VanDerWaalsContact O-N 3.12Å; E112-L117 PolarHBondContact O-N 3.07Å
113	L	86.4	Confident	90.6	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-64.7	-26.3	175	-65.5	176.2	0	0	0	113.3	L77 M81 P108 Q110 I111 L117 M120	L77-L113 HydrophobicContact CD2-CD1 3.8Å; L77-L113 HydrophobicContact CD2-CD2 4.35Å; L77-L113 HydrophobicContact CD2-CG 4.31Å; M81-L113 HydrophobicContact CB-CD2 3.95Å; M81-L113 HydrophobicContact CG-CD1 3.96Å; M81-L113 HydrophobicContact CG-CD2 3.77Å; P108-L113 HydrophobicContact CB-CD1 3.63Å; P108-L113 HydrophobicContact CG-CD1 3.61Å; Q110-L113 HydrophobicContact CB-CD1 4.37Å; Q110-L113 HydrophobicContact CB-CG 4.36Å; Q110-L113 WeakPolarHBondContact O-CB 3.33Å; Q110-L113 PolarHBondContact O-N 3.33Å; I111-L113 PolarHBondContact O-N 3.14Å; L113-L117 HydrophobicContact CD2-CD1 3.85Å; L113-M120 HydrophobicContact CB-CG 4.05Å; L113-M120 VanDerWaalsContact O-CG 3.27Å; L113-M120 WeakPolarHBondContact O-CG 3.47Å
114	Y	83.8	Confident	90.6	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.008	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-105.9	-4.7	-175.8	-45.1	-82.9	0	0	0	113.1	M9 C107 P108 Q110 I111 E112 M120 S164 L165	M9-Y114 HydrophobicContact CB-CD1 4.35Å; M9-Y114 HydrophobicContact CB-CE1 4.03Å; M9-Y114 HydrophobicContact CG-CD1 3.86Å; M9-Y114 HydrophobicContact CG-CE1 3.47Å; M9-Y114 VanDerWaalsContact CG-CE1 3.47Å; M9-Y114 HydrophobicContact SD-CD1 3.5Å; M9-Y114 WeakPolarHBondContact SD-CD1 2.98Å; M9-Y114 HydrophobicContact SD-CE1 3.73Å; M9-Y114 HydrophobicContact SD-CG 4.36Å; C107-Y114 HydrophobicContact CB-CE1 4.16Å; C107-Y114 WeakPolarHBondContact CB-OH 3.37Å; P108-Y114 WeakPolarHBondContact O-CE2 3.28Å; P108-Y114 PolarHBondContact O-OH 2.8Å; Q110-Y114 WeakPolarHBondContact O-CE2 3.48Å; I111-Y114 PolarHBondContact O-N 2.96Å; E112-Y114 PolarHBondContact O-N 3.43Å; Y114-M120 HydrophobicContact CD1-CB 4.03Å; Y114-M120 HydrophobicContact CD1-CE 4.34Å; Y114-M120 HydrophobicContact CD1-CG 3.61Å; Y114-M120 HydrophobicContact CD1-SD 4.48Å; Y114-M120 HydrophobicContact CE1-CB 4.45Å; Y114-M120 HydrophobicContact CE1-CE 3.8Å; Y114-M120 HydrophobicContact CE1-CG 3.67Å; Y114-M120 HydrophobicContact CE1-SD 3.96Å; Y114-M120 HydrophobicContact CG-CG 4.44Å; Y114-S164 VanDerWaalsContact O-CB 3.22Å; Y114-S164 WeakPolarHBondContact O-CB 3.38Å; Y114-S164 PolarHBondContact O-OG 2.9Å; Y114-L165 HydrophobicContact CD1-CD1 4.43Å
115	T	78.1	Confident	90.5	Very high	31 Å²	31	37.1 Å²	37.1	19%	0.19	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-34.8	-175.9	59.3	0	0	0	0	114.1	I111	I111-T115 PolarHBondContact O-N 2.81Å; I111-T115 PolarHBondContact O-OG1 3.47Å
116	H	80	Confident	90.5	Very high	159 Å²	159	39 Å²	39	74%	0.736	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.3	-21.7	-170.5	-59.4	-43	0	0	0	114.3	E112	E112-H116 PolarHBondContact O-N 2.79Å; E112-H116 VanDerWaalsContact O-N 3.12Å
117	L	86.9	Confident	90.4	Very high	43 Å²	43	39 Å²	39	23%	0.225	19%	0.191	C	C	.	.			trans	-98.3	139.5	177.7	-64.9	169.5	0	0	0	110.6	V78 E112 L113 V119	V78-L117 HydrophobicContact CB-CD1 4.4Å; V78-L117 HydrophobicContact CG1-CD1 3.9Å; V78-L117 HydrophobicContact CG2-CD1 3.67Å; E112-L117 PolarHBondContact O-N 3.07Å; L113-L117 HydrophobicContact CD2-CD1 3.85Å; L117-V119 PolarHBondContact O-N 3.16Å
118	P	89.4	Confident	90.3	Very high	72 Å²	72	43.7 Å²	43.7	47%	0.468	21%	0.213	S	C	.	.	S	Bend	trans	-76.3	-9.9	-176	31.5	-35.8	0	0	0	113.5	M120 R121 Q122	P118-M120 PolarHBondContact O-N 3.3Å; P118-R121 WeakPolarHBondContact O-CB 3.18Å; P118-R121 PolarHBondContact O-N 3.46Å; P118-R121 VanDerWaalsContact O-N 3.09Å; P118-Q122 WeakPolarHBondContact O-CG 3.49Å; P118-Q122 PolarHBondContact O-N 3.06Å
119	V	91.8	Very high	90.3	Very high	5 Å²	5	50 Å²	50	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-54.4	-49.4	-170.8	173.8	0	0	0	0	112.7	M81 E82 A85 L117 R121 Q122 L123	M81-V119 HydrophobicContact CB-CG1 4.02Å; M81-V119 HydrophobicContact CB-CG2 4.4Å; M81-V119 HydrophobicContact CE-CG1 4.01Å; M81-V119 WeakPolarHBondContact O-CG1 3.33Å; E82-V119 HydrophobicContact CG-CG2 4.24Å; A85-V119 HydrophobicContact CB-CG1 4.09Å; A85-V119 HydrophobicContact CB-CG2 4.3Å; L117-V119 PolarHBondContact O-N 3.16Å; V119-R121 VanDerWaalsContact C-N 3.32Å; V119-R121 PolarHBondContact O-N 3.25Å; V119-Q122 WeakPolarHBondContact O-CB 3.47Å; V119-Q122 PolarHBondContact O-N 3.41Å; V119-L123 PolarHBondContact O-N 2.93Å
120	M	93.6	Very high	90.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.9	-32.4	-178	-66.1	-57.7	-47.4	0	0	112.2	M81 L113 Y114 P118 L123 V124 L165	M81-M120 HydrophobicContact CE-SD 4.11Å; L113-M120 HydrophobicContact CB-CG 4.05Å; L113-M120 VanDerWaalsContact O-CG 3.27Å; L113-M120 WeakPolarHBondContact O-CG 3.47Å; Y114-M120 HydrophobicContact CD1-CB 4.03Å; Y114-M120 HydrophobicContact CD1-CE 4.34Å; Y114-M120 HydrophobicContact CD1-CG 3.61Å; Y114-M120 HydrophobicContact CD1-SD 4.48Å; Y114-M120 HydrophobicContact CE1-CB 4.45Å; Y114-M120 HydrophobicContact CE1-CE 3.8Å; Y114-M120 HydrophobicContact CE1-CG 3.67Å; Y114-M120 HydrophobicContact CE1-SD 3.96Å; Y114-M120 HydrophobicContact CG-CG 4.44Å; P118-M120 PolarHBondContact O-N 3.3Å; M120-L123 HydrophobicContact CE-CD2 3.71Å; M120-L123 PolarHBondContact O-N 3.33Å; M120-L123 HydrophobicContact SD-CD2 4.46Å; M120-V124 WeakPolarHBondContact O-CG2 3.29Å; M120-V124 PolarHBondContact O-N 3.38Å; M120-L165 HydrophobicContact CB-CD2 3.82Å
121	R	93.6	Very high	90.4	Very high	88 Å²	88	56.5 Å²	56.5	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-65.6	-43.8	172.2	179.5	-176.5	176	128.4	10.8	111	P118 V119 L123 V124 E125 L165 E166	P118-R121 WeakPolarHBondContact O-CB 3.18Å; P118-R121 PolarHBondContact O-N 3.46Å; P118-R121 VanDerWaalsContact O-N 3.09Å; V119-R121 VanDerWaalsContact C-N 3.32Å; V119-R121 PolarHBondContact O-N 3.25Å; R121-L123 VanDerWaalsContact C-N 3.31Å; R121-L123 PolarHBondContact O-N 2.97Å; R121-V124 WeakPolarHBondContact O-CB 3.45Å; R121-V124 PolarHBondContact O-N 2.91Å; R121-E125 IonicContact CZ-OE1 2.81Å; R121-E125 IonicContact NE-OE1 2.96Å; R121-E125 PolarHBondContact NE-OE1 3.03Å; R121-E125 IonicContact NH2-OE1 3.36Å; R121-E125 WeakPolarHBondContact O-CG 3.43Å; R121-E125 PolarHBondContact O-N 2.84Å; R121-L165 HydrophobicContact CB-CD2 4.44Å; R121-E166 IonicContact CZ-OE1 3.82Å; R121-E166 IonicContact NH1-OE1 2.69Å; R121-E166 PolarHBondContact NH1-OE1 3.14Å; R121-E166 IonicContact NH2-OE1 3.79Å; R121-E166 PolarHBondContact NH2-OE1 2.71Å; R121-E166 IonicContact NH2-OE2 3.41Å; R121-E166 PolarHBondContact NH2-OE2 2.82Å
122	Q	95.4	Very high	90.9	Very high	80 Å²	80	53.6 Å²	53.6	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-40.9	175.5	-70.5	173.3	-38.2	0	0	111.4	F88 P118 V119 E125 Q126	F88-Q122 HydrophobicContact CE2-CB 4.06Å; F88-Q122 HydrophobicContact CZ-CB 4.19Å; P118-Q122 WeakPolarHBondContact O-CG 3.49Å; P118-Q122 PolarHBondContact O-N 3.06Å; V119-Q122 WeakPolarHBondContact O-CB 3.47Å; V119-Q122 PolarHBondContact O-N 3.41Å; Q122-E125 PolarHBondContact O-N 3.27Å; Q122-Q126 WeakPolarHBondContact O-CB 3.21Å; Q122-Q126 PolarHBondContact O-N 3.43Å
123	L	95.9	Very high	91.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-45.3	174.2	176.6	65.3	0	0	0	111.5	L7 L39 F84 F88 L91 V119 M120 R121 Q126 L127	L7-L123 HydrophobicContact CD2-CD2 4.31Å; L39-L123 HydrophobicContact CD1-CD2 3.51Å; F84-L123 HydrophobicContact CE1-CD1 4.12Å; F84-L123 HydrophobicContact CE1-CD2 4.31Å; F84-L123 HydrophobicContact CZ-CD1 4Å; F88-L123 HydrophobicContact CD1-CD1 4.38Å; F88-L123 HydrophobicContact CE1-CB 4.2Å; F88-L123 HydrophobicContact CE1-CD1 3.88Å; F88-L123 HydrophobicContact CZ-CB 3.98Å; F88-L123 HydrophobicContact CZ-CD1 4.37Å; L91-L123 HydrophobicContact CD2-CD1 3.83Å; V119-L123 PolarHBondContact O-N 2.93Å; M120-L123 HydrophobicContact CE-CD2 3.71Å; M120-L123 PolarHBondContact O-N 3.33Å; M120-L123 HydrophobicContact SD-CD2 4.46Å; R121-L123 VanDerWaalsContact C-N 3.31Å; R121-L123 PolarHBondContact O-N 2.97Å; L123-Q126 PolarHBondContact O-N 3.01Å; L123-L127 HydrophobicContact CD1-CD1 4.21Å; L123-L127 HydrophobicContact CD1-CG 4.15Å; L123-L127 HydrophobicContact CG-CD1 3.99Å; L123-L127 HydrophobicContact CG-CG 4.37Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.33Å; L123-L127 PolarHBondContact O-N 3.4Å
124	V	95.7	Very high	91.7	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-49.5	176.1	166.6	0	0	0	0	111.2	L7 M120 R121 Q126 L127 Q128 L165 I167	L7-V124 HydrophobicContact CD1-CG2 3.41Å; L7-V124 VanDerWaalsContact CD1-CG2 3.41Å; M120-V124 WeakPolarHBondContact O-CG2 3.29Å; M120-V124 PolarHBondContact O-N 3.38Å; R121-V124 WeakPolarHBondContact O-CB 3.45Å; R121-V124 PolarHBondContact O-N 2.91Å; V124-Q126 VanDerWaalsContact C-N 3.26Å; V124-Q126 PolarHBondContact O-N 3.15Å; V124-L127 PolarHBondContact O-N 2.95Å; V124-Q128 WeakPolarHBondContact O-CG 3.32Å; V124-Q128 PolarHBondContact O-N 3.29Å; V124-L165 HydrophobicContact CG2-CD2 4.43Å; V124-I167 HydrophobicContact CG1-CG2 3.41Å; V124-I167 VanDerWaalsContact CG1-CG2 3.41Å; V124-I167 HydrophobicContact CG2-CD1 4.1Å
125	E	95.6	Very high	92.3	Very high	80 Å²	80	52.7 Å²	52.7	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-39.4	178.8	-71.7	171.1	-176	0	0	111	R121 Q122 Q129	R121-E125 IonicContact CZ-OE1 2.81Å; R121-E125 IonicContact NE-OE1 2.96Å; R121-E125 PolarHBondContact NE-OE1 3.03Å; R121-E125 IonicContact NH2-OE1 3.36Å; R121-E125 WeakPolarHBondContact O-CG 3.43Å; R121-E125 PolarHBondContact O-N 2.84Å; Q122-E125 PolarHBondContact O-N 3.27Å; E125-Q129 VanDerWaalsContact O-CG 3.31Å; E125-Q129 WeakPolarHBondContact O-CG 3.36Å; E125-Q129 PolarHBondContact O-N 3.24Å; E125-Q129 VanDerWaalsContact O-N 3.08Å
126	Q	95.8	Very high	93.2	Very high	41 Å²	41	51.2 Å²	51.2	19%	0.192	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-45.9	177.4	-167.8	64.7	38.1	0	0	112.4	F88 Q122 L123 V124 Q128 Q129 W130	F88-Q126 HydrophobicContact CB-CG 4.15Å; F88-Q126 HydrophobicContact CD2-CB 3.91Å; F88-Q126 HydrophobicContact CD2-CG 3.74Å; F88-Q126 HydrophobicContact CE2-CB 4.03Å; F88-Q126 HydrophobicContact CE2-CG 4.37Å; F88-Q126 HydrophobicContact CG-CG 4.1Å; Q122-Q126 WeakPolarHBondContact O-CB 3.21Å; Q122-Q126 PolarHBondContact O-N 3.43Å; L123-Q126 PolarHBondContact O-N 3.01Å; V124-Q126 VanDerWaalsContact C-N 3.26Å; V124-Q126 PolarHBondContact O-N 3.15Å; Q126-Q128 VanDerWaalsContact C-N 3.28Å; Q126-Q128 PolarHBondContact O-N 2.96Å; Q126-Q129 WeakPolarHBondContact O-CB 3.39Å; Q126-Q129 PolarHBondContact O-N 3.26Å; Q126-Q129 VanDerWaalsContact O-N 3.1Å; Q126-W130 HydrophobicContact CG-CD2 4.06Å; Q126-W130 HydrophobicContact CG-CE3 4.21Å; Q126-W130 HydrophobicContact CG-CH2 3.52Å; Q126-W130 HydrophobicContact CG-CZ2 3.33Å; Q126-W130 HydrophobicContact CG-CZ3 3.97Å; Q126-W130 VanDerWaalsContact NE2-NE1 3.12Å; Q126-W130 PolarHBondContact O-N 3.41Å
127	L	95.1	Very high	94	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-41.6	175.8	-73.4	170.5	0	0	0	111.3	L7 F105 L123 V124 Q129 W130 E131 F132 V134	L7-L127 HydrophobicContact CD2-CD1 3.97Å; F105-L127 HydrophobicContact CE1-CD2 4.41Å; F105-L127 HydrophobicContact CE2-CD1 4.24Å; F105-L127 HydrophobicContact CE2-CD2 4.17Å; F105-L127 HydrophobicContact CZ-CD1 4.33Å; F105-L127 HydrophobicContact CZ-CD2 3.69Å; L123-L127 HydrophobicContact CD1-CD1 4.21Å; L123-L127 HydrophobicContact CD1-CG 4.15Å; L123-L127 HydrophobicContact CG-CD1 3.99Å; L123-L127 HydrophobicContact CG-CG 4.37Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.33Å; L123-L127 PolarHBondContact O-N 3.4Å; V124-L127 PolarHBondContact O-N 2.95Å; L127-Q129 VanDerWaalsContact C-N 3.34Å; L127-Q129 PolarHBondContact O-N 3.24Å; L127-W130 HydrophobicContact CD2-CE3 3.99Å; L127-W130 HydrophobicContact CD2-CZ3 4.16Å; L127-W130 CarbonylContact O-C 3.48Å; L127-W130 WeakPolarHBondContact O-CA 3.48Å; L127-W130 PolarHBondContact O-N 2.63Å; L127-W130 VanDerWaalsContact O-N 3.16Å; L127-E131 PolarHBondContact O-N 2.88Å; L127-F132 HydrophobicContact CB-CB 4.14Å; L127-F132 HydrophobicContact CB-CG 4.49Å; L127-F132 HydrophobicContact CD2-CD2 4.05Å; L127-F132 HydrophobicContact CD2-CE2 4.23Å; L127-F132 HydrophobicContact CD2-CG 4.28Å; L127-F132 VanDerWaalsContact O-CB 3.31Å; L127-F132 WeakPolarHBondContact O-CB 3.42Å; L127-F132 WeakPolarHBondContact O-CD2 3.41Å; L127-F132 PolarHBondContact O-N 3.3Å; L127-V134 HydrophobicContact CB-CG2 3.83Å; L127-V134 HydrophobicContact CD1-CG2 4.37Å
128	Q	93.9	Very high	94.4	Very high	98 Å²	98	41.9 Å²	41.9	46%	0.458	20%	0.195	S	C	.	.	H	α-helix	trans	-64.8	-36.5	175.7	-72.4	175	-17.7	0	0	112.6	V124 Q126 W130 E131 V134	V124-Q128 WeakPolarHBondContact O-CG 3.32Å; V124-Q128 PolarHBondContact O-N 3.29Å; Q126-Q128 VanDerWaalsContact C-N 3.28Å; Q126-Q128 PolarHBondContact O-N 2.96Å; Q128-W130 VanDerWaalsContact C-N 3.27Å; Q128-W130 PolarHBondContact O-N 2.8Å; Q128-E131 PolarHBondContact O-N 2.87Å; Q128-V134 HydrophobicContact CG-CG2 4.25Å
129	Q	93.7	Very high	94.7	Very high	133 Å²	133	38.5 Å²	38.5	62%	0.621	17%	0.173	S	C	*	.	H	α-helix	trans	-64.4	-33	172.7	-72.8	172	35.6	0	0	112.2	E125 Q126 L127 E131	E125-Q129 VanDerWaalsContact O-CG 3.31Å; E125-Q129 WeakPolarHBondContact O-CG 3.36Å; E125-Q129 PolarHBondContact O-N 3.24Å; E125-Q129 VanDerWaalsContact O-N 3.08Å; Q126-Q129 WeakPolarHBondContact O-CB 3.39Å; Q126-Q129 PolarHBondContact O-N 3.26Å; Q126-Q129 VanDerWaalsContact O-N 3.1Å; L127-Q129 VanDerWaalsContact C-N 3.34Å; L127-Q129 PolarHBondContact O-N 3.24Å; Q129-E131 PolarHBondContact O-N 2.77Å
130	W	92.4	Very high	94.8	Very high	32 Å²	32	38.8 Å²	38.8	12%	0.121	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	20.2	171.3	-56.5	-35.3	0	0	0	113.6	F88 L91 E92 L95 Q126 L127 Q128 F132	F88-W130 HydrophobicContact CB-CH2 4Å; F88-W130 HydrophobicContact CB-CZ2 4.22Å; F88-W130 WeakPolarHBondContact O-CH2 3.44Å; L91-W130 HydrophobicContact CB-CH2 4.38Å; L91-W130 HydrophobicContact CD2-CH2 4.39Å; L91-W130 HydrophobicContact CD2-CZ3 3.99Å; L91-W130 HydrophobicContact CG-CH2 4.46Å; L91-W130 HydrophobicContact CG-CZ3 4.23Å; E92-W130 HydrophobicContact CB-CH2 3.96Å; E92-W130 HydrophobicContact CB-CZ2 3.58Å; E92-W130 HydrophobicContact CG-CZ2 4.06Å; E92-W130 PolarHBondContact OE1-NE1 3.2Å; E92-W130 PolarHBondContact OE2-NE1 2.98Å; L95-W130 HydrophobicContact CD1-CE3 4.33Å; L95-W130 HydrophobicContact CD1-CZ3 4.16Å; Q126-W130 HydrophobicContact CG-CD2 4.06Å; Q126-W130 HydrophobicContact CG-CE3 4.21Å; Q126-W130 HydrophobicContact CG-CH2 3.52Å; Q126-W130 HydrophobicContact CG-CZ2 3.33Å; Q126-W130 HydrophobicContact CG-CZ3 3.97Å; Q126-W130 VanDerWaalsContact NE2-NE1 3.12Å; Q126-W130 PolarHBondContact O-N 3.41Å; L127-W130 HydrophobicContact CD2-CE3 3.99Å; L127-W130 HydrophobicContact CD2-CZ3 4.16Å; L127-W130 CarbonylContact O-C 3.48Å; L127-W130 WeakPolarHBondContact O-CA 3.48Å; L127-W130 PolarHBondContact O-N 2.63Å; L127-W130 VanDerWaalsContact O-N 3.16Å; Q128-W130 VanDerWaalsContact C-N 3.27Å; Q128-W130 PolarHBondContact O-N 2.8Å; W130-F132 VanDerWaalsContact C-N 3.27Å; W130-F132 HydrophobicContact CB-CD2 4Å; W130-F132 HydrophobicContact CB-CE2 4.24Å; W130-F132 PolarHBondContact O-N 3Å
131	E	91.3	Very high	94.8	Very high	156 Å²	156	39.3 Å²	39.3	73%	0.729	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	25.5	175.5	-53	-171.3	128.8	0	0	115	R3 L127 Q128 Q129	R3-E131 PolarHBondContact N-O 2.88Å; L127-E131 PolarHBondContact O-N 2.88Å; Q128-E131 PolarHBondContact O-N 2.87Å; Q129-E131 PolarHBondContact O-N 2.77Å
132	F	93.9	Very high	94.8	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.039	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135.6	170.1	-77.2	-99.8	0	0	0	112.1	R3 A5 L95 I103 L127 W130 V134	R3-F132 HydrophobicContact CB-CD1 3.48Å; R3-F132 VanDerWaalsContact CB-CD1 3.48Å; R3-F132 HydrophobicContact CB-CD2 4.02Å; R3-F132 HydrophobicContact CB-CE1 3.48Å; R3-F132 VanDerWaalsContact CB-CE1 3.48Å; R3-F132 HydrophobicContact CB-CE2 4.02Å; R3-F132 HydrophobicContact CB-CG 3.78Å; R3-F132 HydrophobicContact CB-CZ 3.76Å; R3-F132 HydrophobicContact CG-CE1 4.48Å; R3-F132 HydrophobicContact CG-CE2 4.48Å; R3-F132 HydrophobicContact CG-CZ 4.34Å; R3-F132 VanDerWaalsContact NE-CZ 3.25Å; R3-F132 CarbonylContact O-C 3.52Å; R3-F132 VanDerWaalsContact O-CA 3.29Å; R3-F132 WeakPolarHBondContact O-CA 3.31Å; A5-F132 HydrophobicContact CB-CB 4.4Å; A5-F132 HydrophobicContact CB-CD1 3.71Å; A5-F132 HydrophobicContact CB-CE1 4.39Å; A5-F132 HydrophobicContact CB-CG 4.39Å; L95-F132 HydrophobicContact CD1-CE2 4.27Å; L95-F132 HydrophobicContact CD1-CZ 4.15Å; I103-F132 HydrophobicContact CD1-CE1 3.84Å; I103-F132 HydrophobicContact CD1-CZ 3.87Å; I103-F132 HydrophobicContact CG1-CE1 4.18Å; L127-F132 HydrophobicContact CB-CB 4.14Å; L127-F132 HydrophobicContact CB-CG 4.49Å; L127-F132 HydrophobicContact CD2-CD2 4.05Å; L127-F132 HydrophobicContact CD2-CE2 4.23Å; L127-F132 HydrophobicContact CD2-CG 4.28Å; L127-F132 VanDerWaalsContact O-CB 3.31Å; L127-F132 WeakPolarHBondContact O-CB 3.42Å; L127-F132 WeakPolarHBondContact O-CD2 3.41Å; L127-F132 PolarHBondContact O-N 3.3Å; W130-F132 VanDerWaalsContact C-N 3.27Å; W130-F132 HydrophobicContact CB-CD2 4Å; W130-F132 HydrophobicContact CB-CE2 4.24Å; W130-F132 PolarHBondContact O-N 3Å; F132-V134 HydrophobicContact CB-CG2 3.94Å
133	R	94.6	Very high	94.6	Very high	68 Å²	68	36 Å²	36	26%	0.257	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	110.3	158.9	-62.3	-172.5	-175.5	163.6	5.1	108.3	P2 R3 Y4 A5 I252 Q253 D257	P2-R133 HydrophobicContact CB-CG 4.36Å; R3-R133 PolarHBondContact O-N 3.42Å; Y4-R133 HydrophobicContact CD1-CB 4.11Å; Y4-R133 HydrophobicContact CE1-CB 4.49Å; A5-R133 PolarHBondContact N-O 3.41Å; R133-I252 HydrophobicContact CB-CB 4.13Å; R133-I252 WeakPolarHBondContact CD-O 3.44Å; R133-Q253 VanDerWaalsContact NH1-CB 3.32Å; R133-Q253 PolarHBondContact NH1-O 3.45Å; R133-D257 IonicContact CZ-OD2 3.98Å; R133-D257 IonicContact NH1-OD2 3.82Å; R133-D257 PolarHBondContact NH1-OD2 2.73Å; R133-D257 IonicContact NH2-OD2 3.76Å; R133-D257 PolarHBondContact NH2-OD2 3.2Å
134	V	95.9	Very high	94.1	Very high	9 Å²	9	42.3 Å²	42.3	6%	0.055	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.1	-171.6	-170.2	0	0	0	0	110.8	A5 L7 L127 Q128 F132 I167	A5-V134 HydrophobicContact CB-CG1 4.32Å; A5-V134 HydrophobicContact CB-CG2 4.23Å; A5-V134 WeakPolarHBondContact O-CA 3.38Å; L7-V134 HydrophobicContact CD1-CG1 3.8Å; L7-V134 HydrophobicContact CG-CG1 3.78Å; L127-V134 HydrophobicContact CB-CG2 3.83Å; L127-V134 HydrophobicContact CD1-CG2 4.37Å; Q128-V134 HydrophobicContact CG-CG2 4.25Å; F132-V134 HydrophobicContact CB-CG2 3.94Å; V134-I167 HydrophobicContact CG1-CD1 4.01Å
135	C	96.7	Very high	93.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.5	166.9	177.2	0	0	0	0	110.9	A5 Q6 L7 P168 I248 I252	A5-C135 PolarHBondContact O-N 3.49Å; Q6-C135 CarbonylContact C-O 3.47Å; Q6-C135 WeakPolarHBondContact CA-O 3.21Å; L7-C135 PolarHBondContact N-O 3.08Å; C135-P168 CarbonylContact C-O 3.58Å; C135-P168 WeakPolarHBondContact CA-O 3.34Å; C135-P168 PolarHBondContact SG-O 2.86Å; C135-P168 VanDerWaalsContact SG-O 3.34Å; C135-I248 HydrophobicContact CB-CG2 4.31Å; C135-I252 HydrophobicContact CB-CG2 3.27Å
136	G	95.9	Very high	93.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.4	171.1	0	0	0	0	0	111.2	M9 P168 Q169 V170	M9-G136 VanDerWaalsContact CE-CA 3.5Å; G136-P168 PolarHBondContact N-O 2.98Å; G136-Q169 CarbonylContact O-C 3.58Å; G136-Q169 WeakPolarHBondContact O-CA 3.38Å; G136-V170 PolarHBondContact O-N 2.87Å
137	V	96.8	Very high	92.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	101.7	172.8	-174.4	0	0	0	0	107.9	Q6 L7 M9 Y19 L139 V170 V172 I248	Q6-V137 HydrophobicContact CB-CG2 4.14Å; Q6-V137 HydrophobicContact CG-CG2 4.34Å; L7-V137 PolarHBondContact O-N 2.79Å; M9-V137 PolarHBondContact N-O 3.3Å; Y19-V137 HydrophobicContact CE1-CG1 4.27Å; Y19-V137 HydrophobicContact CE2-CG1 4.38Å; V137-L139 HydrophobicContact CG1-CD2 3.75Å; V137-V170 CarbonylContact C-O 3.6Å; V137-V170 WeakPolarHBondContact CA-O 3.49Å; V137-V172 HydrophobicContact CG1-CG2 3.83Å; V137-I248 HydrophobicContact CG1-CD1 4.41Å; V137-I248 HydrophobicContact CG2-CD1 3.64Å; V137-I248 HydrophobicContact CG2-CG1 4.13Å
138	F	95.5	Very high	91.9	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107.2	-175	-165.6	-89.6	0	0	0	111	M9 V140 A157 A158 A161 Q169 V170 V172	M9-F138 HydrophobicContact CB-CD2 4.17Å; F138-V140 HydrophobicContact CD1-CG2 3.77Å; F138-V140 HydrophobicContact CE1-CG2 3.57Å; F138-A157 HydrophobicContact CZ-CB 4.39Å; F138-A158 HydrophobicContact CD1-CB 3.67Å; F138-A158 HydrophobicContact CE1-CB 3.86Å; F138-A158 HydrophobicContact CG-CB 4.3Å; F138-A161 HydrophobicContact CD2-CB 3.88Å; F138-A161 HydrophobicContact CE2-CB 3.76Å; F138-Q169 HydrophobicContact CB-CG 4.05Å; F138-V170 PolarHBondContact N-O 3.38Å; F138-V172 PolarHBondContact O-N 2.96Å
139	L	96.1	Very high	91.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.4	-176.7	-53.3	-170.7	0	0	0	111.8	V8 M9 P11 S14 K16 Y19 V137 V172 T174	V8-L139 HydrophobicContact CG1-CD1 3.76Å; V8-L139 HydrophobicContact CG1-CG 4.17Å; M9-L139 WeakPolarHBondContact O-CB 3.49Å; M9-L139 PolarHBondContact O-N 3Å; P11-L139 VanDerWaalsContact CD-O 3.31Å; P11-L139 WeakPolarHBondContact CD-O 3.39Å; S14-L139 WeakPolarHBondContact CB-O 3.39Å; K16-L139 HydrophobicContact CB-CD1 4.29Å; K16-L139 HydrophobicContact CG-CD1 3.95Å; Y19-L139 HydrophobicContact CD2-CD2 4.21Å; Y19-L139 HydrophobicContact CG-CD1 4.02Å; Y19-L139 HydrophobicContact CG-CD2 4.37Å; V137-L139 HydrophobicContact CG1-CD2 3.75Å; L139-V172 WeakPolarHBondContact CA-O 3.48Å; L139-V172 HydrophobicContact CD2-CB 3.61Å; L139-V172 HydrophobicContact CD2-CG1 4.01Å; L139-V172 HydrophobicContact CD2-CG2 4.2Å; L139-T174 HydrophobicContact CB-CG2 3.98Å; L139-T174 HydrophobicContact CD1-CG2 4.11Å; L139-T174 HydrophobicContact CD2-CG2 3.96Å; L139-T174 HydrophobicContact CG-CG2 4.24Å
140	V	94	Very high	91.1	Very high	12 Å²	12	40.2 Å²	40.2	7%	0.073	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.8	171.5	-176.2	0	0	0	0	109.6	F138 S142 M145 V172 M173 T174 F230	F138-V140 HydrophobicContact CD1-CG2 3.77Å; F138-V140 HydrophobicContact CE1-CG2 3.57Å; V140-S142 PolarHBondContact O-N 2.89Å; V140-M145 HydrophobicContact CG1-CE 4.41Å; V140-M145 HydrophobicContact CG1-CG 3.66Å; V140-M145 HydrophobicContact CG1-SD 3.71Å; V140-V172 PolarHBondContact N-O 2.99Å; V140-M173 CarbonylContact O-C 3.59Å; V140-M173 VanDerWaalsContact O-CA 3.3Å; V140-M173 WeakPolarHBondContact O-CA 3.2Å; V140-T174 PolarHBondContact O-N 2.93Å; V140-T174 PolarHBondContact O-OG1 3.45Å; V140-F230 HydrophobicContact CB-CE1 4.03Å; V140-F230 HydrophobicContact CG2-CE1 3.68Å; V140-F230 HydrophobicContact CG2-CZ 4.17Å
141	D	94	Very high	90.9	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.053	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.3	177.3	173.4	-15.9	0	0	0	110.6	Q143 F144 K175	D141-Q143 PolarHBondContact O-N 3.29Å; D141-Q143 VanDerWaalsContact O-N 3.17Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.38Å; D141-Q143 PolarHBondContact OD1-N 3.26Å; D141-F144 HydrophobicContact CB-CD2 3.8Å; D141-F144 HydrophobicContact CB-CE2 4.14Å; D141-F144 PolarHBondContact O-N 2.81Å; D141-K175 WeakPolarHBondContact OD2-CD 3.43Å; D141-K175 VanDerWaalsContact OD2-CE 3.31Å; D141-K175 WeakPolarHBondContact OD2-CE 3Å; D141-K175 IonicContact OD2-NZ 3.59Å; D141-K175 PolarHBondContact OD2-NZ 3.49Å
142	S	92.6	Very high	90.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-55.9	-30.1	-176.8	61.3	0	0	0	0	114.4	V140 F144 M145 T174 K175 M176 L179 I187	V140-S142 PolarHBondContact O-N 2.89Å; S142-F144 PolarHBondContact O-N 2.86Å; S142-M145 PolarHBondContact O-N 3.34Å; S142-T174 WeakPolarHBondContact CB-O 3.41Å; S142-T174 PolarHBondContact N-O 2.76Å; S142-T174 PolarHBondContact OG-O 3.18Å; S142-K175 PolarHBondContact OG-O 3.11Å; S142-M176 VanDerWaalsContact CB-SD 3.53Å; S142-L179 WeakPolarHBondContact OG-CG 3.34Å; S142-I187 VanDerWaalsContact O-CD1 3.29Å; S142-I187 WeakPolarHBondContact O-CD1 3.36Å
143	Q	90.3	Very high	90.3	Very high	100 Å²	100	35.4 Å²	35.4	47%	0.467	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-65.1	-27.5	179.6	-62.4	-175.1	5.2	0	0	112.3	D141 M145 L179	D141-Q143 PolarHBondContact O-N 3.29Å; D141-Q143 VanDerWaalsContact O-N 3.17Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.38Å; D141-Q143 PolarHBondContact OD1-N 3.26Å; Q143-M145 VanDerWaalsContact C-N 3.31Å; Q143-L179 HydrophobicContact CG-CD2 4.07Å
144	F	86.9	Confident	90.1	Very high	131 Å²	131	32.6 Å²	32.6	58%	0.575	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-78.9	-17.3	173.5	-64.6	-71.6	0	0	0	112.6	D141 S142 K150	D141-F144 HydrophobicContact CB-CD2 3.8Å; D141-F144 HydrophobicContact CB-CE2 4.14Å; D141-F144 PolarHBondContact O-N 2.81Å; S142-F144 PolarHBondContact O-N 2.86Å; F144-K150 WeakPolarHBondContact O-CB 3.41Å; F144-K150 VanDerWaalsContact O-CD 3.32Å; F144-K150 WeakPolarHBondContact O-CD 3.41Å
145	M	86.3	Confident	89.7	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	-95.8	1.7	-172.8	-61.3	-63.9	-88.3	0	0	113.8	V140 S142 Q143 E147 F151 M173 Y190 F230	V140-M145 HydrophobicContact CG1-CE 4.41Å; V140-M145 HydrophobicContact CG1-CG 3.66Å; V140-M145 HydrophobicContact CG1-SD 3.71Å; S142-M145 PolarHBondContact O-N 3.34Å; Q143-M145 VanDerWaalsContact C-N 3.31Å; M145-E147 VanDerWaalsContact C-N 3.31Å; M145-E147 PolarHBondContact O-N 2.97Å; M145-F151 HydrophobicContact CB-CD2 4.43Å; M145-F151 HydrophobicContact CE-CB 4.44Å; M145-F151 HydrophobicContact CE-CD2 3.31Å; M145-F151 HydrophobicContact CE-CE2 3.65Å; M145-F151 HydrophobicContact CE-CG 4.09Å; M145-F151 HydrophobicContact SD-CD2 4.35Å; M145-M173 HydrophobicContact CB-CE 3.67Å; M145-M173 HydrophobicContact CB-SD 3.95Å; M145-M173 HydrophobicContact CE-CE 4.27Å; M145-M173 HydrophobicContact CG-CE 3.92Å; M145-M173 HydrophobicContact CG-SD 4.34Å; M145-Y190 VanDerWaalsContact O-CD2 3.23Å; M145-Y190 WeakPolarHBondContact O-CD2 3.35Å; M145-Y190 WeakPolarHBondContact O-CE2 3.43Å; M145-F230 HydrophobicContact CE-CD2 4.18Å; M145-F230 HydrophobicContact CE-CE1 4.4Å; M145-F230 HydrophobicContact CE-CE2 3.66Å; M145-F230 HydrophobicContact CE-CZ 3.8Å
146	V	84.3	Confident	89.3	Confident	43 Å²	43	35.6 Å²	35.6	26%	0.261	18%	0.18	S	C	.	.	S	Bend	trans	-68.9	-25.4	-176.5	-177.1	0	0	0	0	113.3	L179 A183 I187	V146-L179 HydrophobicContact CG2-CD2 4.27Å; V146-A183 HydrophobicContact CG1-CB 4.25Å; V146-A183 HydrophobicContact CG2-CB 4.22Å; V146-I187 HydrophobicContact CG2-CD1 4.02Å; V146-I187 HydrophobicContact CG2-CG1 4.31Å
147	E	83.7	Confident	89	Confident	108 Å²	108	37.4 Å²	37.4	51%	0.505	20%	0.195	S	C	.	.	S	Bend	trans	-105.1	139.4	-179.5	-67.1	168.5	-135.5	0	0	111.1	M145 F149 K150 F151	M145-E147 VanDerWaalsContact C-N 3.31Å; M145-E147 PolarHBondContact O-N 2.97Å; E147-F149 PolarHBondContact O-N 3.38Å; E147-K150 HydrophobicContact CB-CB 4.34Å; E147-K150 HydrophobicContact CB-CD 4.07Å; E147-K150 HydrophobicContact CB-CG 4.09Å; E147-K150 HydrophobicContact CG-CD 4.42Å; E147-K150 CarbonylContact O-C 3.59Å; E147-K150 WeakPolarHBondContact O-CA 3.38Å; E147-K150 WeakPolarHBondContact O-CB 3.36Å; E147-K150 PolarHBondContact O-N 3.25Å; E147-K150 WeakPolarHBondContact OE1-CE 3.45Å; E147-K150 IonicContact OE1-NZ 3.23Å; E147-K150 PolarHBondContact OE1-NZ 3.18Å; E147-K150 WeakPolarHBondContact OE2-CE 3.48Å; E147-K150 IonicContact OE2-NZ 3.38Å; E147-F151 PolarHBondContact O-N 2.93Å
148	S	82.1	Confident	88.6	Confident	17 Å²	17	37.4 Å²	37.4	12%	0.119	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-41.5	-171.8	-45.8	0	0	0	0	114.4	K150 F151 I152 Y190 N202	S148-K150 VanDerWaalsContact C-N 3.34Å; S148-F151 WeakPolarHBondContact O-CB 3.31Å; S148-F151 PolarHBondContact O-N 3.46Å; S148-I152 WeakPolarHBondContact O-CG1 3.4Å; S148-I152 PolarHBondContact O-N 3.31Å; S148-Y190 PolarHBondContact N-OH 3.44Å; S148-Y190 PolarHBondContact OG-OH 3.49Å; S148-N202 WeakPolarHBondContact CB-ND2 3.35Å; S148-N202 PolarHBondContact OG-ND2 2.99Å
149	F	83.9	Confident	88.3	Confident	57 Å²	57	37.5 Å²	37.5	25%	0.25	20%	0.196	C	C	.	.	H	α-helix	trans	-71.1	-31.3	177.7	-69.5	-66	0	0	0	112.8	E147 S153 T205 F206 F211 T215	E147-F149 PolarHBondContact O-N 3.38Å; F149-S153 WeakPolarHBondContact O-CB 3.37Å; F149-S153 PolarHBondContact O-N 3.29Å; F149-S153 PolarHBondContact O-OG 3.36Å; F149-T205 HydrophobicContact CE2-CG2 3.9Å; F149-F206 AromaticContact CE1-CE1 3.78Å; F149-F206 HydrophobicContact CE1-CE1 3.78Å; F149-F206 HydrophobicContact CE1-CZ 4.15Å; F149-F206 HydrophobicContact CZ-CD1 4.21Å; F149-F206 AromaticContact CZ-CE1 3.67Å; F149-F206 HydrophobicContact CZ-CE1 3.67Å; F149-F206 AromaticContact CZ-CZ 3.88Å; F149-F206 HydrophobicContact CZ-CZ 3.88Å; F149-F211 HydrophobicContact CD1-CE1 4.29Å; F149-F211 HydrophobicContact CD1-CZ 4.13Å; F149-F211 AromaticContact CE1-CE1 3.58Å; F149-F211 HydrophobicContact CE1-CE1 3.58Å; F149-F211 AromaticContact CE1-CZ 3.84Å; F149-F211 HydrophobicContact CE1-CZ 3.84Å; F149-F211 AromaticContact CZ-CE1 3.83Å; F149-F211 HydrophobicContact CZ-CE1 3.83Å; F149-F211 HydrophobicContact CZ-CZ 4.48Å; F149-T215 HydrophobicContact CE1-CG2 4.3Å
150	K	86.8	Confident	88	Confident	85 Å²	85	39.9 Å²	39.9	37%	0.37	21%	0.213	S	C	.	.	H	α-helix	trans	-72.7	-38.2	174.2	-60.5	-178.8	178.5	165	0	110.6	F144 E147 S148 S153 G154	F144-K150 WeakPolarHBondContact O-CB 3.41Å; F144-K150 VanDerWaalsContact O-CD 3.32Å; F144-K150 WeakPolarHBondContact O-CD 3.41Å; E147-K150 HydrophobicContact CB-CB 4.34Å; E147-K150 HydrophobicContact CB-CD 4.07Å; E147-K150 HydrophobicContact CB-CG 4.09Å; E147-K150 HydrophobicContact CG-CD 4.42Å; E147-K150 CarbonylContact O-C 3.59Å; E147-K150 WeakPolarHBondContact O-CA 3.38Å; E147-K150 WeakPolarHBondContact O-CB 3.36Å; E147-K150 PolarHBondContact O-N 3.25Å; E147-K150 WeakPolarHBondContact OE1-CE 3.45Å; E147-K150 IonicContact OE1-NZ 3.23Å; E147-K150 PolarHBondContact OE1-NZ 3.18Å; E147-K150 WeakPolarHBondContact OE2-CE 3.48Å; E147-K150 IonicContact OE2-NZ 3.38Å; S148-K150 VanDerWaalsContact C-N 3.34Å; K150-S153 WeakPolarHBondContact O-CB 3.28Å; K150-S153 PolarHBondContact O-N 3.48Å; K150-S153 VanDerWaalsContact O-N 3.14Å; K150-G154 PolarHBondContact O-N 3.04Å
151	F	86.9	Confident	87.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.8	-52.1	170.9	179.9	-94.1	0	0	0	111.6	M145 E147 S148 S153 G154 V155 M173 Y190 P193 M195 M198 F230	M145-F151 HydrophobicContact CB-CD2 4.43Å; M145-F151 HydrophobicContact CE-CB 4.44Å; M145-F151 HydrophobicContact CE-CD2 3.31Å; M145-F151 HydrophobicContact CE-CE2 3.65Å; M145-F151 HydrophobicContact CE-CG 4.09Å; M145-F151 HydrophobicContact SD-CD2 4.35Å; E147-F151 PolarHBondContact O-N 2.93Å; S148-F151 WeakPolarHBondContact O-CB 3.31Å; S148-F151 PolarHBondContact O-N 3.46Å; F151-S153 PolarHBondContact O-N 2.81Å; F151-G154 PolarHBondContact O-N 2.7Å; F151-G154 VanDerWaalsContact O-N 3.09Å; F151-V155 HydrophobicContact CD1-CG2 4.02Å; F151-V155 HydrophobicContact CE1-CG2 3.49Å; F151-V155 VanDerWaalsContact CE1-CG2 3.49Å; F151-V155 HydrophobicContact CE2-CG2 4.29Å; F151-V155 HydrophobicContact CZ-CG2 3.64Å; F151-V155 WeakPolarHBondContact O-CG2 3.18Å; F151-V155 PolarHBondContact O-N 2.85Å; F151-M173 HydrophobicContact CE2-CE 4.42Å; F151-Y190 HydrophobicContact CB-CD2 4.26Å; F151-Y190 HydrophobicContact CB-CE2 4.35Å; F151-Y190 AromaticContact CD2-CD2 3.9Å; F151-Y190 HydrophobicContact CD2-CD2 3.9Å; F151-Y190 AromaticContact CD2-CG 3.88Å; F151-Y190 HydrophobicContact CD2-CG 3.88Å; F151-Y190 HydrophobicContact CE2-CG 4.24Å; F151-Y190 HydrophobicContact CG-CD2 4.14Å; F151-Y190 HydrophobicContact CG-CG 4.1Å; F151-P193 HydrophobicContact CE1-CB 4.4Å; F151-P193 HydrophobicContact CZ-CG 4.39Å; F151-M195 HydrophobicContact CD1-CE 3.85Å; F151-M195 HydrophobicContact CE1-CE 3.43Å; F151-M195 VanDerWaalsContact CE1-CE 3.43Å; F151-M198 HydrophobicContact CD1-CE 4.06Å; F151-F230 AromaticContact CE2-CD2 3.97Å; F151-F230 HydrophobicContact CE2-CD2 3.97Å; F151-F230 HydrophobicContact CE2-CE2 4.25Å; F151-F230 HydrophobicContact CZ-CD2 4.27Å; F151-F230 HydrophobicContact CZ-CE2 4.48Å
152	I	86.1	Confident	87.5	Confident	19 Å²	19	41 Å²	41	10%	0.097	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-40.4	176.3	-66.8	167.1	0	0	0	110.9	S148 V155 M156 M195 T215 I218 I222	S148-I152 WeakPolarHBondContact O-CG1 3.4Å; S148-I152 PolarHBondContact O-N 3.31Å; I152-V155 PolarHBondContact O-N 3.43Å; I152-M156 HydrophobicContact CG2-CG 4.46Å; I152-M156 VanDerWaalsContact O-CG 3.3Å; I152-M156 WeakPolarHBondContact O-CG 3.49Å; I152-M156 PolarHBondContact O-N 3.44Å; I152-M195 HydrophobicContact CG1-SD 4.36Å; I152-T215 HydrophobicContact CD1-CG2 4.01Å; I152-I218 HydrophobicContact CG2-CG2 3.74Å; I152-I222 HydrophobicContact CG2-CD1 4.41Å
153	S	87.7	Confident	87.4	Confident	76 Å²	76	46 Å²	46	53%	0.531	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-40.6	177.7	-56	0	0	0	0	112.1	F149 K150 F151 M156 A157	F149-S153 WeakPolarHBondContact O-CB 3.37Å; F149-S153 PolarHBondContact O-N 3.29Å; F149-S153 PolarHBondContact O-OG 3.36Å; K150-S153 WeakPolarHBondContact O-CB 3.28Å; K150-S153 PolarHBondContact O-N 3.48Å; K150-S153 VanDerWaalsContact O-N 3.14Å; F151-S153 PolarHBondContact O-N 2.81Å; S153-M156 PolarHBondContact O-N 2.9Å; S153-A157 PolarHBondContact O-N 3.34Å
154	G	89	Confident	87.4	Confident	10 Å²	10	42.7 Å²	42.7	10%	0.103	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-42.8	174.8	0	0	0	0	0	112.7	K150 F151 M156 A157 A158	K150-G154 PolarHBondContact O-N 3.04Å; F151-G154 PolarHBondContact O-N 2.7Å; F151-G154 VanDerWaalsContact O-N 3.09Å; G154-M156 PolarHBondContact O-N 3.18Å; G154-A157 PolarHBondContact O-N 3.33Å; G154-A158 PolarHBondContact O-N 2.89Å
155	V	88.4	Confident	87.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-47.2	173	170.4	0	0	0	0	110.9	F151 I152 A157 A158 L159 I222 V228 F230	F151-V155 HydrophobicContact CD1-CG2 4.02Å; F151-V155 HydrophobicContact CE1-CG2 3.49Å; F151-V155 VanDerWaalsContact CE1-CG2 3.49Å; F151-V155 HydrophobicContact CE2-CG2 4.29Å; F151-V155 HydrophobicContact CZ-CG2 3.64Å; F151-V155 WeakPolarHBondContact O-CG2 3.18Å; F151-V155 PolarHBondContact O-N 2.85Å; I152-V155 PolarHBondContact O-N 3.43Å; V155-A157 VanDerWaalsContact C-N 3.33Å; V155-A157 PolarHBondContact O-N 3.18Å; V155-A158 PolarHBondContact O-N 3.42Å; V155-L159 HydrophobicContact CG1-CD1 3.98Å; V155-L159 HydrophobicContact CG1-CG 4.41Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 2.95Å; V155-I222 HydrophobicContact CB-CD1 4.23Å; V155-I222 HydrophobicContact CG1-CB 4.48Å; V155-I222 HydrophobicContact CG1-CD1 3.58Å; V155-I222 HydrophobicContact CG1-CG1 3.68Å; V155-I222 HydrophobicContact CG1-CG2 3.95Å; V155-V228 HydrophobicContact CG1-CB 3.86Å; V155-V228 HydrophobicContact CG1-CG1 4.31Å; V155-V228 HydrophobicContact CG1-CG2 3.83Å; V155-V228 HydrophobicContact CG2-CB 4.49Å; V155-V228 HydrophobicContact CG2-CG1 4.33Å; V155-F230 HydrophobicContact CG2-CE2 3.8Å
156	M	87.9	Confident	87.8	Confident	71 Å²	71	42.8 Å²	42.8	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-38	179.1	-73.4	-58.2	-42.7	0	0	112.7	I152 S153 G154 L159 S160 I218	I152-M156 HydrophobicContact CG2-CG 4.46Å; I152-M156 VanDerWaalsContact O-CG 3.3Å; I152-M156 WeakPolarHBondContact O-CG 3.49Å; I152-M156 PolarHBondContact O-N 3.44Å; S153-M156 PolarHBondContact O-N 2.9Å; G154-M156 PolarHBondContact O-N 3.18Å; M156-L159 PolarHBondContact O-N 2.87Å; M156-L159 HydrophobicContact SD-CD1 4.33Å; M156-S160 WeakPolarHBondContact O-CB 3.49Å; M156-S160 PolarHBondContact O-N 3.3Å; M156-I218 HydrophobicContact CG-CG2 4.25Å; M156-I218 HydrophobicContact SD-CG2 3.82Å
157	A	89.3	Confident	88.1	Confident	38 Å²	38	41.1 Å²	41.1	31%	0.314	23%	0.228	S	C	.	.	H	α-helix	trans	-64.6	-45.1	175.6	0	0	0	0	0	111.5	F138 S153 G154 V155 L159 S160 A161	F138-A157 HydrophobicContact CZ-CB 4.39Å; S153-A157 PolarHBondContact O-N 3.34Å; G154-A157 PolarHBondContact O-N 3.33Å; V155-A157 VanDerWaalsContact C-N 3.33Å; V155-A157 PolarHBondContact O-N 3.18Å; A157-L159 PolarHBondContact O-N 3Å; A157-S160 WeakPolarHBondContact O-CB 3.32Å; A157-S160 PolarHBondContact O-N 3.28Å; A157-A161 PolarHBondContact O-N 2.87Å; A157-A161 VanDerWaalsContact O-N 3.14Å
158	A	89.8	Confident	88.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-43	175.6	0	0	0	0	0	112	F138 G154 V155 S160 A161 M162 Q169 N171 V228 F230	F138-A158 HydrophobicContact CD1-CB 3.67Å; F138-A158 HydrophobicContact CE1-CB 3.86Å; F138-A158 HydrophobicContact CG-CB 4.3Å; G154-A158 PolarHBondContact O-N 2.89Å; V155-A158 PolarHBondContact O-N 3.42Å; A158-S160 VanDerWaalsContact C-N 3.35Å; A158-A161 PolarHBondContact O-N 2.7Å; A158-M162 WeakPolarHBondContact O-CB 2.92Å; A158-M162 PolarHBondContact O-N 3.28Å; A158-Q169 PolarHBondContact O-NE2 3.06Å; A158-N171 WeakPolarHBondContact CB-OD1 3.41Å; A158-V228 HydrophobicContact CB-CG1 4.16Å; A158-F230 HydrophobicContact CB-CZ 4.27Å
159	L	88.4	Confident	89.1	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-41	175	-76.4	173.9	0	0	0	112.7	V155 M156 A157 A161 M162 V163 I222 M227 V228	V155-L159 HydrophobicContact CG1-CD1 3.98Å; V155-L159 HydrophobicContact CG1-CG 4.41Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 2.95Å; M156-L159 PolarHBondContact O-N 2.87Å; M156-L159 HydrophobicContact SD-CD1 4.33Å; A157-L159 PolarHBondContact O-N 3Å; L159-A161 VanDerWaalsContact C-N 3.3Å; L159-A161 PolarHBondContact O-N 3.07Å; L159-M162 HydrophobicContact CD2-SD 4.44Å; L159-M162 PolarHBondContact O-N 3.26Å; L159-V163 WeakPolarHBondContact O-CG2 3.49Å; L159-V163 PolarHBondContact O-N 3.17Å; L159-I222 HydrophobicContact CD1-CG1 4.32Å; L159-M227 HydrophobicContact CD1-CE 3.88Å; L159-M227 HydrophobicContact CD2-CB 3.79Å; L159-M227 HydrophobicContact CD2-CE 3.73Å; L159-M227 HydrophobicContact CD2-CG 3.57Å; L159-M227 HydrophobicContact CD2-SD 3.73Å; L159-M227 HydrophobicContact CG-CE 4.45Å; L159-V228 HydrophobicContact CD1-CG2 4.14Å; L159-V228 HydrophobicContact CD2-CG2 3.4Å; L159-V228 HydrophobicContact CG-CG2 3.42Å; L159-V228 VanDerWaalsContact CG-CG2 3.42Å
160	S	89.3	Confident	89.6	Confident	50 Å²	50	37.3 Å²	37.3	35%	0.35	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-42.4	177.8	-169.3	0	0	0	0	111.4	M156 A157 A158 S164	M156-S160 WeakPolarHBondContact O-CB 3.49Å; M156-S160 PolarHBondContact O-N 3.3Å; A157-S160 WeakPolarHBondContact O-CB 3.32Å; A157-S160 PolarHBondContact O-N 3.28Å; A158-S160 VanDerWaalsContact C-N 3.35Å; S160-S164 VanDerWaalsContact O-CB 3.29Å; S160-S164 WeakPolarHBondContact O-CB 3.39Å; S160-S164 PolarHBondContact O-N 3.39Å; S160-S164 VanDerWaalsContact O-N 3.07Å
161	A	89.5	Confident	89.9	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-44.8	176.3	0	0	0	0	0	111.6	F138 A157 A158 L159 V163 S164 L165	F138-A161 HydrophobicContact CD2-CB 3.88Å; F138-A161 HydrophobicContact CE2-CB 3.76Å; A157-A161 PolarHBondContact O-N 2.87Å; A157-A161 VanDerWaalsContact O-N 3.14Å; A158-A161 PolarHBondContact O-N 2.7Å; L159-A161 VanDerWaalsContact C-N 3.3Å; L159-A161 PolarHBondContact O-N 3.07Å; A161-V163 PolarHBondContact O-N 3.36Å; A161-S164 PolarHBondContact O-N 3.01Å; A161-S164 VanDerWaalsContact O-N 3.16Å; A161-L165 WeakPolarHBondContact O-CG 3.37Å; A161-L165 PolarHBondContact O-N 2.86Å
162	M	89.1	Confident	90.3	Very high	45 Å²	45	33.5 Å²	33.5	22%	0.222	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-46.5	179.1	-175	-172.6	-76.1	0	0	111.9	A158 L159 S164 E166 Q169	A158-M162 WeakPolarHBondContact O-CB 2.92Å; A158-M162 PolarHBondContact O-N 3.28Å; L159-M162 HydrophobicContact CD2-SD 4.44Å; L159-M162 PolarHBondContact O-N 3.26Å; M162-S164 VanDerWaalsContact C-N 3.35Å; M162-E166 PolarHBondContact O-N 3.34Å; M162-Q169 HydrophobicContact CB-CB 4.47Å; M162-Q169 HydrophobicContact CE-CB 3.88Å; M162-Q169 HydrophobicContact CE-CG 4.46Å; M162-Q169 HydrophobicContact CG-CB 4.24Å
163	V	88.9	Confident	90.7	Very high	104 Å²	104	32.6 Å²	32.6	63%	0.63	20%	0.195	S	C	*	.	H	α-helix	trans	-68	-35.9	178.1	173.1	0	0	0	0	111.5	L159 A161 E166	L159-V163 WeakPolarHBondContact O-CG2 3.49Å; L159-V163 PolarHBondContact O-N 3.17Å; A161-V163 PolarHBondContact O-N 3.36Å; V163-E166 WeakPolarHBondContact O-CG 3.5Å
164	S	90.2	Very high	91.1	Very high	31 Å²	31	29.2 Å²	29.2	22%	0.217	17%	0.171	C	C	.	.	H	α-helix	trans	-73.1	-34.7	-178.1	-169.6	0	0	0	0	113.3	Y114 S160 A161 M162	Y114-S164 VanDerWaalsContact O-CB 3.22Å; Y114-S164 WeakPolarHBondContact O-CB 3.38Å; Y114-S164 PolarHBondContact O-OG 2.9Å; S160-S164 VanDerWaalsContact O-CB 3.29Å; S160-S164 WeakPolarHBondContact O-CB 3.39Å; S160-S164 PolarHBondContact O-N 3.39Å; S160-S164 VanDerWaalsContact O-N 3.07Å; A161-S164 PolarHBondContact O-N 3.01Å; A161-S164 VanDerWaalsContact O-N 3.16Å; M162-S164 VanDerWaalsContact C-N 3.35Å
165	L	90.8	Very high	91.4	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-94.8	-18.8	-175.9	-62.6	177	0	0	0	113.6	M9 Y114 M120 R121 V124 A161 I167	M9-L165 HydrophobicContact CE-CD1 3.8Å; M9-L165 HydrophobicContact SD-CD1 3.28Å; M9-L165 WeakPolarHBondContact SD-CD1 3.38Å; Y114-L165 HydrophobicContact CD1-CD1 4.43Å; M120-L165 HydrophobicContact CB-CD2 3.82Å; R121-L165 HydrophobicContact CB-CD2 4.44Å; V124-L165 HydrophobicContact CG2-CD2 4.43Å; A161-L165 WeakPolarHBondContact O-CG 3.37Å; A161-L165 PolarHBondContact O-N 2.86Å; L165-I167 HydrophobicContact CB-CD1 4.35Å; L165-I167 HydrophobicContact CB-CG1 3.95Å; L165-I167 PolarHBondContact O-N 2.91Å
166	E	90.8	Very high	91.6	Very high	130 Å²	130	32 Å²	32	61%	0.607	18%	0.181	S	C	*	.			trans	57.6	32.4	175	-58.9	173.2	-159	0	0	113.7	R121 M162 V163	R121-E166 IonicContact CZ-OE1 3.82Å; R121-E166 IonicContact NH1-OE1 2.69Å; R121-E166 PolarHBondContact NH1-OE1 3.14Å; R121-E166 IonicContact NH2-OE1 3.79Å; R121-E166 PolarHBondContact NH2-OE1 2.71Å; R121-E166 IonicContact NH2-OE2 3.41Å; R121-E166 PolarHBondContact NH2-OE2 2.82Å; M162-E166 PolarHBondContact O-N 3.34Å; V163-E166 WeakPolarHBondContact O-CG 3.5Å
167	I	92.3	Very high	91.8	Very high	9 Å²	9	31 Å²	31	5%	0.046	18%	0.177	C	C	.	.	S	Bend	trans	-121.7	159.7	178.3	57.5	173.6	0	0	0	112.4	L7 V124 V134 L165 Q169	L7-I167 HydrophobicContact CD1-CD1 4.21Å; V124-I167 HydrophobicContact CG1-CG2 3.41Å; V124-I167 VanDerWaalsContact CG1-CG2 3.41Å; V124-I167 HydrophobicContact CG2-CD1 4.1Å; V134-I167 HydrophobicContact CG1-CD1 4.01Å; L165-I167 HydrophobicContact CB-CD1 4.35Å; L165-I167 HydrophobicContact CB-CG1 3.95Å; L165-I167 PolarHBondContact O-N 2.91Å; I167-Q169 PolarHBondContact O-N 2.89Å
168	P	93.1	Very high	92	Very high	68 Å²	68	33.6 Å²	33.6	44%	0.442	19%	0.185	S	C	.	.			trans	-54.7	129.1	168	-23.3	33.9	0	0	0	110.7	C135 G136	C135-P168 CarbonylContact C-O 3.58Å; C135-P168 WeakPolarHBondContact CA-O 3.34Å; C135-P168 PolarHBondContact SG-O 2.86Å; C135-P168 VanDerWaalsContact SG-O 3.34Å; G136-P168 PolarHBondContact N-O 2.98Å
169	Q	92.9	Very high	92.1	Very high	20 Å²	20	34.7 Å²	34.7	9%	0.093	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.3	-177.8	-177.5	-179.1	-67	0	0	111.4	G136 F138 A158 M162 I167 N171	G136-Q169 CarbonylContact O-C 3.58Å; G136-Q169 WeakPolarHBondContact O-CA 3.38Å; F138-Q169 HydrophobicContact CB-CG 4.05Å; A158-Q169 PolarHBondContact O-NE2 3.06Å; M162-Q169 HydrophobicContact CB-CB 4.47Å; M162-Q169 HydrophobicContact CE-CB 3.88Å; M162-Q169 HydrophobicContact CE-CG 4.46Å; M162-Q169 HydrophobicContact CG-CB 4.24Å; I167-Q169 PolarHBondContact O-N 2.89Å; Q169-N171 PolarHBondContact NE2-OD1 2.81Å
170	V	94.4	Very high	92.2	Very high	13 Å²	13	37.2 Å²	37.2	8%	0.079	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.6	170	178.5	0	0	0	0	108.6	G136 V137 F138 V172 L231 I248	G136-V170 PolarHBondContact O-N 2.87Å; V137-V170 CarbonylContact C-O 3.6Å; V137-V170 WeakPolarHBondContact CA-O 3.49Å; F138-V170 PolarHBondContact N-O 3.38Å; V170-V172 HydrophobicContact CG1-CG2 4.03Å; V170-L231 HydrophobicContact CG1-CD1 3.71Å; V170-L231 HydrophobicContact CG1-CG 4.46Å; V170-I248 HydrophobicContact CB-CG1 4.09Å; V170-I248 HydrophobicContact CG1-CG1 4.29Å; V170-I248 HydrophobicContact CG2-CG1 3.85Å
171	N	93.9	Very high	92.2	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.032	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.4	178.5	-51.6	-68.6	0	0	0	109.5	A158 Q169 V228 F230 L231	A158-N171 WeakPolarHBondContact CB-OD1 3.41Å; Q169-N171 PolarHBondContact NE2-OD1 2.81Å; N171-V228 HydrophobicContact CB-CG1 4.1Å; N171-V228 WeakPolarHBondContact ND2-CG1 3.39Å; N171-F230 HydrophobicContact CB-CD1 3.63Å; N171-F230 HydrophobicContact CB-CE1 3.67Å; N171-F230 HydrophobicContact CB-CG 4.15Å; N171-F230 HydrophobicContact CB-CZ 4.22Å; N171-F230 CarbonylContact O-C 3.51Å; N171-F230 WeakPolarHBondContact O-CA 3.5Å; N171-L231 PolarHBondContact O-N 3.42Å
172	V	95.3	Very high	92.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.3	-172.8	-178.6	0	0	0	0	109.6	V137 F138 L139 V140 V170 T174 L231 F233 V244	V137-V172 HydrophobicContact CG1-CG2 3.83Å; F138-V172 PolarHBondContact O-N 2.96Å; L139-V172 WeakPolarHBondContact CA-O 3.48Å; L139-V172 HydrophobicContact CD2-CB 3.61Å; L139-V172 HydrophobicContact CD2-CG1 4.01Å; L139-V172 HydrophobicContact CD2-CG2 4.2Å; V140-V172 PolarHBondContact N-O 2.99Å; V170-V172 HydrophobicContact CG1-CG2 4.03Å; V172-T174 HydrophobicContact CG1-CG2 4.26Å; V172-L231 CarbonylContact C-O 3.54Å; V172-L231 WeakPolarHBondContact CA-O 3.43Å; V172-F233 HydrophobicContact CG1-CB 3.32Å; V172-F233 HydrophobicContact CG1-CD2 4.33Å; V172-F233 HydrophobicContact CG1-CG 4Å; V172-V244 HydrophobicContact CG2-CG1 3.95Å
173	M	94.4	Very high	91.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.8	175.2	-165.5	-177.8	-62.4	0	0	109.6	V140 M145 F151 M176 I187 F230 L231 F233	V140-M173 CarbonylContact O-C 3.59Å; V140-M173 VanDerWaalsContact O-CA 3.3Å; V140-M173 WeakPolarHBondContact O-CA 3.2Å; M145-M173 HydrophobicContact CB-CE 3.67Å; M145-M173 HydrophobicContact CB-SD 3.95Å; M145-M173 HydrophobicContact CE-CE 4.27Å; M145-M173 HydrophobicContact CG-CE 3.92Å; M145-M173 HydrophobicContact CG-SD 4.34Å; F151-M173 HydrophobicContact CE2-CE 4.42Å; M173-M176 HydrophobicContact CB-SD 4.47Å; M173-M176 HydrophobicContact CG-SD 4.08Å; M173-M176 WeakPolarHBondContact O-CG 3.49Å; M173-M176 HydrophobicContact SD-SD 3.92Å; M173-I187 HydrophobicContact CE-CG2 4Å; M173-I187 HydrophobicContact SD-CD1 3.75Å; M173-I187 HydrophobicContact SD-CG1 4.44Å; M173-I187 HydrophobicContact SD-CG2 3.42Å; M173-I187 WeakPolarHBondContact SD-CG2 3.3Å; M173-F230 HydrophobicContact CB-CB 4.2Å; M173-F230 HydrophobicContact CB-CD1 4.39Å; M173-F230 HydrophobicContact CE-CB 4.17Å; M173-F230 HydrophobicContact CE-CG 4.33Å; M173-L231 PolarHBondContact N-O 2.81Å; M173-F233 PolarHBondContact O-N 3.31Å
174	T	96	Very high	91.8	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	169.5	-172	61.4	0	0	0	0	112.8	S14 L139 V140 S142 V172 M176 F233	S14-T174 WeakPolarHBondContact O-CB 3.46Å; S14-T174 PolarHBondContact O-OG1 3.28Å; L139-T174 HydrophobicContact CB-CG2 3.98Å; L139-T174 HydrophobicContact CD1-CG2 4.11Å; L139-T174 HydrophobicContact CD2-CG2 3.96Å; L139-T174 HydrophobicContact CG-CG2 4.24Å; V140-T174 PolarHBondContact O-N 2.93Å; V140-T174 PolarHBondContact O-OG1 3.45Å; S142-T174 WeakPolarHBondContact CB-O 3.41Å; S142-T174 PolarHBondContact N-O 2.76Å; S142-T174 PolarHBondContact OG-O 3.18Å; V172-T174 HydrophobicContact CG1-CG2 4.26Å; T174-M176 VanDerWaalsContact C-N 3.26Å; T174-M176 PolarHBondContact O-N 2.86Å; T174-F233 HydrophobicContact CG2-CD1 4.47Å
175	K	94.9	Very high	91.5	Very high	59 Å²	59	51.5 Å²	51.5	26%	0.257	27%	0.27	S	S	.	.			trans	61.6	31.8	175.2	-48.5	-172.9	-165.5	168.8	0	113.6	G13 D141 S142 D177 L178 F233	G13-K175 WeakPolarHBondContact O-CE 3.43Å; G13-K175 PolarHBondContact O-NZ 2.94Å; D141-K175 WeakPolarHBondContact OD2-CD 3.43Å; D141-K175 VanDerWaalsContact OD2-CE 3.31Å; D141-K175 WeakPolarHBondContact OD2-CE 3Å; D141-K175 IonicContact OD2-NZ 3.59Å; D141-K175 PolarHBondContact OD2-NZ 3.49Å; S142-K175 PolarHBondContact OG-O 3.11Å; K175-D177 WeakPolarHBondContact CA-OD1 3.34Å; K175-D177 PolarHBondContact O-N 2.69Å; K175-L178 HydrophobicContact CB-CB 4.44Å; K175-L178 HydrophobicContact CB-CD1 3.98Å; K175-L178 HydrophobicContact CB-CG 4.16Å; K175-L178 HydrophobicContact CD-CD1 3.93Å; K175-L178 HydrophobicContact CG-CD1 4.36Å; K175-L178 PolarHBondContact O-N 3.05Å; K175-F233 PolarHBondContact N-O 3.29Å
176	M	93.2	Very high	91.1	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.049	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-60.6	-25.2	178.4	-66.4	-61.7	-70.2	0	0	112.1	S142 M173 T174 L178 L179 I187 P232 F233 D234	S142-M176 VanDerWaalsContact CB-SD 3.53Å; M173-M176 HydrophobicContact CB-SD 4.47Å; M173-M176 HydrophobicContact CG-SD 4.08Å; M173-M176 WeakPolarHBondContact O-CG 3.49Å; M173-M176 HydrophobicContact SD-SD 3.92Å; T174-M176 VanDerWaalsContact C-N 3.26Å; T174-M176 PolarHBondContact O-N 2.86Å; M176-L178 VanDerWaalsContact C-N 3.26Å; M176-L178 PolarHBondContact O-N 3.28Å; M176-L179 HydrophobicContact CE-CD1 3.87Å; M176-L179 PolarHBondContact O-N 3Å; M176-L179 HydrophobicContact SD-CD1 3.72Å; M176-I187 HydrophobicContact CE-CG2 3.83Å; M176-I187 HydrophobicContact SD-CG2 4.37Å; M176-P232 HydrophobicContact CE-CB 4.08Å; M176-P232 HydrophobicContact CG-CB 4.03Å; M176-P232 HydrophobicContact SD-CB 4.46Å; M176-F233 PolarHBondContact N-O 2.95Å; M176-D234 HydrophobicContact CB-CB 4.07Å
177	D	92.3	Very high	90.7	Very high	49 Å²	49	48.1 Å²	48.1	26%	0.262	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-63.3	-27.4	173.1	53.7	-45.6	0	0	0	113.5	K175 L179 D234 R235	K175-D177 WeakPolarHBondContact CA-OD1 3.34Å; K175-D177 PolarHBondContact O-N 2.69Å; D177-L179 VanDerWaalsContact C-N 3.34Å; D177-D234 WeakPolarHBondContact CA-OD2 3.49Å; D177-D234 WeakPolarHBondContact CB-OD1 3.42Å; D177-D234 PolarHBondContact N-OD2 2.77Å; D177-R235 IonicContact OD2-CZ 3.38Å; D177-R235 IonicContact OD2-NE 3.29Å; D177-R235 PolarHBondContact OD2-NE 3.14Å; D177-R235 IonicContact OD2-NH2 2.67Å
178	L	93.1	Very high	90.2	Very high	93 Å²	93	52.9 Å²	52.9	49%	0.487	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-87.1	-5.1	-176	-57	-173.3	0	0	0	113.3	K175 M176	K175-L178 HydrophobicContact CB-CB 4.44Å; K175-L178 HydrophobicContact CB-CD1 3.98Å; K175-L178 HydrophobicContact CB-CG 4.16Å; K175-L178 HydrophobicContact CD-CD1 3.93Å; K175-L178 HydrophobicContact CG-CD1 4.36Å; K175-L178 PolarHBondContact O-N 3.05Å; M176-L178 VanDerWaalsContact C-N 3.26Å; M176-L178 PolarHBondContact O-N 3.28Å
179	L	90.8	Very high	89.4	Confident	22 Å²	22	54.3 Å²	54.3	12%	0.115	28%	0.275	C	S	.	.	S	Bend	trans	-80.8	136.7	-177.9	-64.8	172.1	0	0	0	111.7	S142 Q143 V146 M176 D177 A183 K184 I187	S142-L179 WeakPolarHBondContact OG-CG 3.34Å; Q143-L179 HydrophobicContact CG-CD2 4.07Å; V146-L179 HydrophobicContact CG2-CD2 4.27Å; M176-L179 HydrophobicContact CE-CD1 3.87Å; M176-L179 PolarHBondContact O-N 3Å; M176-L179 HydrophobicContact SD-CD1 3.72Å; D177-L179 VanDerWaalsContact C-N 3.34Å; L179-A183 HydrophobicContact CB-CB 4.43Å; L179-A183 HydrophobicContact CD2-CB 4.25Å; L179-K184 HydrophobicContact CB-CB 4.48Å; L179-I187 HydrophobicContact CD1-CD1 3.45Å; L179-I187 VanDerWaalsContact CD1-CD1 3.45Å; L179-I187 HydrophobicContact CD1-CG1 4.48Å; L179-I187 HydrophobicContact CD2-CD1 4.12Å; L179-I187 HydrophobicContact CG-CD1 4.43Å
180	A	91.1	Very high	88.7	Confident	61 Å²	61	53.9 Å²	53.9	50%	0.504	27%	0.273	S	S	.	.			trans	-62.8	148.8	166.5	0	0	0	0	0	110.4	K182 A183 K184	A180-K182 PolarHBondContact O-N 3.09Å; A180-A183 WeakPolarHBondContact O-CA 3.24Å; A180-A183 WeakPolarHBondContact O-CB 3.33Å; A180-A183 PolarHBondContact O-N 3.4Å; A180-K184 PolarHBondContact O-N 2.91Å
181	P	88.6	Confident	87.8	Confident	114 Å²	114	54.7 Å²	54.7	74%	0.74	28%	0.277	S	S	*	.	H	α-helix	trans	-52.9	-35.2	-178	-29	34.7	0	0	0	114.3	K185	P181-K185 PolarHBondContact O-N 3.33Å
182	K	87.5	Confident	86.8	Confident	174 Å²	174	60.7 Å²	60.7	76%	0.757	31%	0.309	S	S	*	.	H	α-helix	trans	-64.8	-43.2	175.3	-173.2	-177.9	177.5	-174	0	112.2	A180 E186	A180-K182 PolarHBondContact O-N 3.09Å; K182-E186 PolarHBondContact O-N 3.5Å
183	A	85.9	Confident	85.4	Confident	20 Å²	20	61.9 Å²	61.9	17%	0.165	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-37.8	179.1	0	0	0	0	0	111.4	V146 L179 A180 K185 E186 I187	V146-A183 HydrophobicContact CG1-CB 4.25Å; V146-A183 HydrophobicContact CG2-CB 4.22Å; L179-A183 HydrophobicContact CB-CB 4.43Å; L179-A183 HydrophobicContact CD2-CB 4.25Å; A180-A183 WeakPolarHBondContact O-CA 3.24Å; A180-A183 WeakPolarHBondContact O-CB 3.33Å; A180-A183 PolarHBondContact O-N 3.4Å; A183-K185 VanDerWaalsContact C-N 3.32Å; A183-K185 PolarHBondContact O-N 2.75Å; A183-E186 PolarHBondContact O-N 2.93Å; A183-E186 VanDerWaalsContact O-N 3.08Å; A183-I187 PolarHBondContact O-N 3.13Å
184	K	85.6	Confident	84.4	Confident	87 Å²	87	65.8 Å²	65.8	38%	0.378	34%	0.337	S	S	.	.	H	α-helix	trans	-56.8	-45.1	174.8	-168.1	169.5	-178.1	168.4	0	111.7	L179 A180 E186 I187 E188	L179-K184 HydrophobicContact CB-CB 4.48Å; A180-K184 PolarHBondContact O-N 2.91Å; K184-E186 VanDerWaalsContact C-N 3.31Å; K184-E186 PolarHBondContact O-N 2.82Å; K184-I187 PolarHBondContact O-N 3.45Å; K184-E188 WeakPolarHBondContact O-CG 3.18Å; K184-E188 PolarHBondContact O-N 3.48Å
185	K	84.6	Confident	83.3	Confident	137 Å²	137	65.6 Å²	65.6	60%	0.596	34%	0.336	S	S	*	.	H	α-helix	trans	-62.8	-33.4	175.3	-170.9	176.6	-178	178.6	0	113.8	P181 A183	P181-K185 PolarHBondContact O-N 3.33Å; A183-K185 VanDerWaalsContact C-N 3.32Å; A183-K185 PolarHBondContact O-N 2.75Å
186	E	82	Confident	82.2	Confident	63 Å²	63	67.1 Å²	67.1	29%	0.294	34%	0.341	S	S	.	.	H	α-helix	trans	-71.6	-39.7	175	-67.3	-57.8	132.1	0	0	111.3	K182 A183 K184 E188 K189	K182-E186 PolarHBondContact O-N 3.5Å; A183-E186 PolarHBondContact O-N 2.93Å; A183-E186 VanDerWaalsContact O-N 3.08Å; K184-E186 VanDerWaalsContact C-N 3.31Å; K184-E186 PolarHBondContact O-N 2.82Å; E186-E188 VanDerWaalsContact C-N 3.35Å; E186-E188 PolarHBondContact O-N 2.9Å; E186-K189 WeakPolarHBondContact O-CB 3.47Å; E186-K189 PolarHBondContact O-N 2.85Å; E186-K189 IonicContact OE1-NZ 3.48Å; E186-K189 PolarHBondContact OE1-NZ 3.25Å; E186-K189 IonicContact OE2-NZ 2.82Å; E186-K189 PolarHBondContact OE2-NZ 3.14Å
187	I	82.9	Confident	81.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-67.8	-32.4	176.5	-69.2	-172.5	0	0	0	112.5	S142 V146 M173 M176 L179 A183 K184 K189 Y190 L191	S142-I187 VanDerWaalsContact O-CD1 3.29Å; S142-I187 WeakPolarHBondContact O-CD1 3.36Å; V146-I187 HydrophobicContact CG2-CD1 4.02Å; V146-I187 HydrophobicContact CG2-CG1 4.31Å; M173-I187 HydrophobicContact CE-CG2 4Å; M173-I187 HydrophobicContact SD-CD1 3.75Å; M173-I187 HydrophobicContact SD-CG1 4.44Å; M173-I187 HydrophobicContact SD-CG2 3.42Å; M173-I187 WeakPolarHBondContact SD-CG2 3.3Å; M176-I187 HydrophobicContact CE-CG2 3.83Å; M176-I187 HydrophobicContact SD-CG2 4.37Å; L179-I187 HydrophobicContact CD1-CD1 3.45Å; L179-I187 VanDerWaalsContact CD1-CD1 3.45Å; L179-I187 HydrophobicContact CD1-CG1 4.48Å; L179-I187 HydrophobicContact CD2-CD1 4.12Å; L179-I187 HydrophobicContact CG-CD1 4.43Å; A183-I187 PolarHBondContact O-N 3.13Å; K184-I187 PolarHBondContact O-N 3.45Å; I187-K189 PolarHBondContact O-N 3.37Å; I187-K189 VanDerWaalsContact O-N 3.14Å; I187-Y190 WeakPolarHBondContact O-CA 3.48Å; I187-Y190 WeakPolarHBondContact O-CB 3.45Å; I187-Y190 PolarHBondContact O-N 3.04Å; I187-L191 HydrophobicContact CG2-CD2 4.34Å; I187-L191 HydrophobicContact CG2-CG 4.45Å; I187-L191 PolarHBondContact O-N 3.14Å
188	E	80.8	Confident	80.4	Confident	110 Å²	110	67.1 Å²	67.1	51%	0.514	34%	0.344	S	S	.	.	H	α-helix	trans	-54.1	-33	174.6	-78.2	168.8	-173.7	0	0	112.3	K184 E186 Y190 L191	K184-E188 WeakPolarHBondContact O-CG 3.18Å; K184-E188 PolarHBondContact O-N 3.48Å; E186-E188 VanDerWaalsContact C-N 3.35Å; E186-E188 PolarHBondContact O-N 2.9Å; E188-Y190 PolarHBondContact O-N 3.21Å; E188-L191 PolarHBondContact O-N 3Å
189	K	77.9	Confident	79.3	Confident	98 Å²	98	63.6 Å²	63.6	43%	0.426	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-19.7	174.5	-55.2	175.8	-173	167.2	0	113.3	E186 I187	E186-K189 WeakPolarHBondContact O-CB 3.47Å; E186-K189 PolarHBondContact O-N 2.85Å; E186-K189 IonicContact OE1-NZ 3.48Å; E186-K189 PolarHBondContact OE1-NZ 3.25Å; E186-K189 IonicContact OE2-NZ 2.82Å; E186-K189 PolarHBondContact OE2-NZ 3.14Å; I187-K189 PolarHBondContact O-N 3.37Å; I187-K189 VanDerWaalsContact O-N 3.14Å
190	Y	77.4	Confident	78.4	Confident	11 Å²	11	69.5 Å²	69.5	4%	0.043	35%	0.353	C	S	.	.	H	α-helix	trans	-101.1	-9.4	-176.5	-56	-24.8	0	0	0	113	M145 S148 F151 I187 E188 D192 P193 M198	M145-Y190 VanDerWaalsContact O-CD2 3.23Å; M145-Y190 WeakPolarHBondContact O-CD2 3.35Å; M145-Y190 WeakPolarHBondContact O-CE2 3.43Å; S148-Y190 PolarHBondContact N-OH 3.44Å; S148-Y190 PolarHBondContact OG-OH 3.49Å; F151-Y190 HydrophobicContact CB-CD2 4.26Å; F151-Y190 HydrophobicContact CB-CE2 4.35Å; F151-Y190 AromaticContact CD2-CD2 3.9Å; F151-Y190 HydrophobicContact CD2-CD2 3.9Å; F151-Y190 AromaticContact CD2-CG 3.88Å; F151-Y190 HydrophobicContact CD2-CG 3.88Å; F151-Y190 HydrophobicContact CE2-CG 4.24Å; F151-Y190 HydrophobicContact CG-CD2 4.14Å; F151-Y190 HydrophobicContact CG-CG 4.1Å; I187-Y190 WeakPolarHBondContact O-CA 3.48Å; I187-Y190 WeakPolarHBondContact O-CB 3.45Å; I187-Y190 PolarHBondContact O-N 3.04Å; E188-Y190 PolarHBondContact O-N 3.21Å; Y190-D192 VanDerWaalsContact C-N 3.35Å; Y190-P193 WeakPolarHBondContact O-CD 3.35Å; Y190-M198 HydrophobicContact CD1-CE 3.38Å; Y190-M198 HydrophobicContact CD1-CG 4.47Å; Y190-M198 HydrophobicContact CD1-SD 3.29Å; Y190-M198 WeakPolarHBondContact CD1-SD 3.29Å; Y190-M198 HydrophobicContact CE1-CE 3Å; Y190-M198 HydrophobicContact CE1-CG 4.13Å; Y190-M198 HydrophobicContact CE1-SD 3.36Å; Y190-M198 WeakPolarHBondContact CE1-SD 3.14Å; Y190-M198 HydrophobicContact CG-CE 4.38Å; Y190-M198 HydrophobicContact CG-SD 4.48Å
191	L	76.2	Confident	77.4	Confident	30 Å²	30	72.9 Å²	72.9	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-76.8	-25	174	-62.1	-178.4	0	0	0	112.6	I187 E188 R229 F230 P232	I187-L191 HydrophobicContact CG2-CD2 4.34Å; I187-L191 HydrophobicContact CG2-CG 4.45Å; I187-L191 PolarHBondContact O-N 3.14Å; E188-L191 PolarHBondContact O-N 3Å; L191-R229 PolarHBondContact O-NE 3.23Å; L191-R229 VanDerWaalsContact O-NE 3.12Å; L191-F230 WeakPolarHBondContact CD2-O 3.46Å; L191-P232 HydrophobicContact CD1-CB 4.34Å; L191-P232 HydrophobicContact CD1-CG 4.11Å; L191-P232 HydrophobicContact CD2-CB 4.35Å; L191-P232 HydrophobicContact CD2-CG 4.49Å
192	D	72.8	Confident	76.5	Confident	132 Å²	132	68.9 Å²	68.9	71%	0.706	33%	0.334	S	S	*	.	S	Bend	trans	-133.2	74.8	168.3	-167.1	16.7	0	0	0	108.8	Y190 D194	Y190-D192 VanDerWaalsContact C-N 3.35Å; D192-D194 PolarHBondContact O-N 2.89Å
193	P	65.8	Low	75.3	Confident	24 Å²	24	62.9 Å²	62.9	16%	0.156	32%	0.315	C	S	.	.			trans	-76.3	117.7	-167.8	25.1	-27.8	0	0	0	112.1	F151 Y190 M195 M198	F151-P193 HydrophobicContact CE1-CB 4.4Å; F151-P193 HydrophobicContact CZ-CG 4.39Å; Y190-P193 WeakPolarHBondContact O-CD 3.35Å; P193-M195 HydrophobicContact CB-CE 3.27Å; P193-M195 HydrophobicContact CG-CE 4.17Å; P193-M195 PolarHBondContact O-N 3.05Å; P193-M198 HydrophobicContact CB-SD 4.36Å
194	D	73.1	Confident	74.2	Confident	83 Å²	83	69.6 Å²	69.6	44%	0.444	35%	0.348	S	S	.	.			trans	-81.8	94.4	153.5	176.2	-9.8	0	0	0	108.1	D192 Y196 S197 M198	D192-D194 PolarHBondContact O-N 2.89Å; D194-Y196 PolarHBondContact O-N 3.32Å; D194-Y196 WeakPolarHBondContact OD1-CB 3.27Å; D194-Y196 PolarHBondContact OD1-N 3.17Å; D194-S197 WeakPolarHBondContact CB-OG 3.49Å; D194-S197 PolarHBondContact O-N 3.18Å; D194-S197 PolarHBondContact O-OG 3Å; D194-S197 PolarHBondContact OD1-N 3.35Å; D194-M198 PolarHBondContact O-N 2.84Å; D194-M198 VanDerWaalsContact O-N 3.14Å
195	M	72.7	Confident	73.4	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-28.4	-178.5	-86.7	-57.8	108.4	0	0	113.5	F151 I152 P193 M198 M199 C219 I222	F151-M195 HydrophobicContact CD1-CE 3.85Å; F151-M195 HydrophobicContact CE1-CE 3.43Å; F151-M195 VanDerWaalsContact CE1-CE 3.43Å; I152-M195 HydrophobicContact CG1-SD 4.36Å; P193-M195 HydrophobicContact CB-CE 3.27Å; P193-M195 HydrophobicContact CG-CE 4.17Å; P193-M195 PolarHBondContact O-N 3.05Å; M195-M198 HydrophobicContact CE-CE 3.9Å; M195-M198 HydrophobicContact CE-CG 4.49Å; M195-M198 HydrophobicContact CE-SD 3.23Å; M195-M198 WeakPolarHBondContact CE-SD 3.47Å; M195-M198 HydrophobicContact SD-SD 4.43Å; M195-M199 PolarHBondContact O-N 3.03Å; M195-C219 HydrophobicContact CB-CB 3.91Å; M195-C219 HydrophobicContact CG-CB 4.47Å; M195-I222 HydrophobicContact CG-CB 4.3Å; M195-I222 HydrophobicContact CG-CG2 3.99Å
196	Y	71.9	Confident	72.7	Confident	90 Å²	90	63.9 Å²	63.9	35%	0.353	33%	0.33	S	S	.	.	H	α-helix	trans	-72.9	-44	178	-69.2	-74.5	0	0	0	111	D194 M198 M199 E200 D223	D194-Y196 PolarHBondContact O-N 3.32Å; D194-Y196 WeakPolarHBondContact OD1-CB 3.27Å; D194-Y196 PolarHBondContact OD1-N 3.17Å; Y196-M198 VanDerWaalsContact C-N 3.34Å; Y196-M198 PolarHBondContact O-N 3.22Å; Y196-M199 WeakPolarHBondContact O-CB 3.38Å; Y196-M199 PolarHBondContact O-N 3.38Å; Y196-E200 PolarHBondContact O-N 3.39Å; Y196-D223 HydrophobicContact CE2-CB 4.23Å; Y196-D223 VanDerWaalsContact CE2-OD2 3.24Å; Y196-D223 WeakPolarHBondContact CE2-OD2 3.38Å
197	S	73.8	Confident	72.2	Confident	47 Å²	47	72.8 Å²	72.8	33%	0.329	36%	0.361	S	S	.	.	H	α-helix	trans	-60.2	-43.1	175.6	74.8	0	0	0	0	112.2	D194 M199 E200 D201	D194-S197 WeakPolarHBondContact CB-OG 3.49Å; D194-S197 PolarHBondContact O-N 3.18Å; D194-S197 PolarHBondContact O-OG 3Å; D194-S197 PolarHBondContact OD1-N 3.35Å; S197-M199 PolarHBondContact O-N 3Å; S197-E200 PolarHBondContact O-N 3.26Å; S197-E200 VanDerWaalsContact O-N 3.07Å; S197-D201 PolarHBondContact O-N 3.18Å; S197-D201 VanDerWaalsContact O-N 3.13Å
198	M	72.9	Confident	72.2	Confident	13 Å²	13	75.4 Å²	75.4	6%	0.064	38%	0.379	C	S	.	.	H	α-helix	trans	-61.6	-31.6	177.6	-73.6	-175.3	53.8	0	0	113	F151 Y190 P193 D194 M195 Y196 N202	F151-M198 HydrophobicContact CD1-CE 4.06Å; Y190-M198 HydrophobicContact CD1-CE 3.38Å; Y190-M198 HydrophobicContact CD1-CG 4.47Å; Y190-M198 HydrophobicContact CD1-SD 3.29Å; Y190-M198 WeakPolarHBondContact CD1-SD 3.29Å; Y190-M198 HydrophobicContact CE1-CE 3Å; Y190-M198 HydrophobicContact CE1-CG 4.13Å; Y190-M198 HydrophobicContact CE1-SD 3.36Å; Y190-M198 WeakPolarHBondContact CE1-SD 3.14Å; Y190-M198 HydrophobicContact CG-CE 4.38Å; Y190-M198 HydrophobicContact CG-SD 4.48Å; P193-M198 HydrophobicContact CB-SD 4.36Å; D194-M198 PolarHBondContact O-N 2.84Å; D194-M198 VanDerWaalsContact O-N 3.14Å; M195-M198 HydrophobicContact CE-CE 3.9Å; M195-M198 HydrophobicContact CE-CG 4.49Å; M195-M198 HydrophobicContact CE-SD 3.23Å; M195-M198 WeakPolarHBondContact CE-SD 3.47Å; M195-M198 HydrophobicContact SD-SD 4.43Å; Y196-M198 VanDerWaalsContact C-N 3.34Å; Y196-M198 PolarHBondContact O-N 3.22Å; M198-N202 PolarHBondContact O-N 3.49Å; M198-N202 PolarHBondContact O-ND2 3.12Å
199	M	71.9	Confident	72.4	Confident	18 Å²	18	79.4 Å²	79.4	9%	0.089	39%	0.394	C	S	.	.	H	α-helix	trans	-72.4	-35.2	177	-166.2	-164	169.4	0	0	111.9	M195 Y196 S197 N202 S203 F206 K212 K216	M195-M199 PolarHBondContact O-N 3.03Å; Y196-M199 WeakPolarHBondContact O-CB 3.38Å; Y196-M199 PolarHBondContact O-N 3.38Å; S197-M199 PolarHBondContact O-N 3Å; M199-N202 PolarHBondContact O-N 3.43Å; M199-S203 PolarHBondContact O-N 3.18Å; M199-F206 HydrophobicContact CE-CZ 4.29Å; M199-F206 HydrophobicContact CG-CE2 4.27Å; M199-F206 HydrophobicContact CG-CZ 3.95Å; M199-F206 WeakPolarHBondContact O-CE2 3.23Å; M199-K212 HydrophobicContact CE-CB 4.38Å; M199-K212 HydrophobicContact CE-CD 4.25Å; M199-K212 HydrophobicContact CE-CG 3.29Å; M199-K212 WeakPolarHBondContact CE-O 3.28Å; M199-K216 HydrophobicContact CE-CB 3.7Å; M199-K216 HydrophobicContact CE-CG 4.44Å; M199-K216 HydrophobicContact SD-CB 3.69Å; M199-K216 HydrophobicContact SD-CD 4.45Å; M199-K216 HydrophobicContact SD-CG 3.94Å
200	E	70.6	Confident	72.8	Confident	147 Å²	147	83.4 Å²	83.4	69%	0.687	41%	0.412	S	S	*	.	H	α-helix	trans	-70.4	-41.8	178.7	-68.1	-170.2	168.6	0	0	111.8	Y196 S197 N202 S203	Y196-E200 PolarHBondContact O-N 3.39Å; S197-E200 PolarHBondContact O-N 3.26Å; S197-E200 VanDerWaalsContact O-N 3.07Å; E200-N202 PolarHBondContact O-N 3.13Å; E200-S203 WeakPolarHBondContact O-CB 3.47Å; E200-S203 PolarHBondContact O-N 2.76Å; E200-S203 PolarHBondContact O-OG 2.95Å
201	D	70.1	Confident	73.1	Confident	131 Å²	131	87 Å²	87	70%	0.701	43%	0.428	S	S	*	.	H	α-helix	trans	-61.3	-30.5	175.8	-76.5	-9.9	0	0	0	112.6	S197	S197-D201 PolarHBondContact O-N 3.18Å; S197-D201 VanDerWaalsContact O-N 3.13Å
202	N	69.3	Low	73.5	Confident	30 Å²	30	90 Å²	90	16%	0.16	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	8.7	177.7	-76.3	-77.2	0	0	0	113.7	S148 M198 M199 E200 D204 T205 F206	S148-N202 WeakPolarHBondContact CB-ND2 3.35Å; S148-N202 PolarHBondContact OG-ND2 2.99Å; M198-N202 PolarHBondContact O-N 3.49Å; M198-N202 PolarHBondContact O-ND2 3.12Å; M199-N202 PolarHBondContact O-N 3.43Å; E200-N202 PolarHBondContact O-N 3.13Å; N202-D204 PolarHBondContact O-N 3Å; N202-D204 VanDerWaalsContact O-N 3.14Å; N202-T205 WeakPolarHBondContact O-CB 3.49Å; N202-T205 PolarHBondContact O-N 3.39Å; N202-F206 HydrophobicContact CB-CE2 3.99Å; N202-F206 HydrophobicContact CB-CZ 4.41Å; N202-F206 WeakPolarHBondContact O-CD2 3.2Å; N202-F206 WeakPolarHBondContact O-CE2 3.42Å
203	S	63.4	Low	74.2	Confident	49 Å²	49	91.7 Å²	91.7	34%	0.343	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.6	-172.1	58.9	0	0	0	0	114.2	M199 E200	M199-S203 PolarHBondContact O-N 3.18Å; E200-S203 WeakPolarHBondContact O-CB 3.47Å; E200-S203 PolarHBondContact O-N 2.76Å; E200-S203 PolarHBondContact O-OG 2.95Å
204	D	63.1	Low	75.2	Confident	160 Å²	160	95.1 Å²	95.1	86%	0.856	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-19.7	177.4	-69.9	-31.5	0	0	0	113.6	N202	N202-D204 PolarHBondContact O-N 3Å; N202-D204 VanDerWaalsContact O-N 3.14Å
205	T	67.9	Low	75.7	Confident	79 Å²	79	91.5 Å²	91.5	49%	0.485	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-17.6	-179.2	-46.1	0	0	0	0	112.2	F149 N202 R207	F149-T205 HydrophobicContact CE2-CG2 3.9Å; N202-T205 WeakPolarHBondContact O-CB 3.49Å; N202-T205 PolarHBondContact O-N 3.39Å; T205-R207 PolarHBondContact O-N 3.33Å
206	F	70.8	Confident	76.4	Confident	26 Å²	26	97.1 Å²	97.1	11%	0.114	46%	0.462	C	S	.	.			trans	-72.9	103.6	-178	-67.2	-82.8	0	0	0	112	F149 M199 N202 S208 F211 K212 T215	F149-F206 AromaticContact CE1-CE1 3.78Å; F149-F206 HydrophobicContact CE1-CE1 3.78Å; F149-F206 HydrophobicContact CE1-CZ 4.15Å; F149-F206 HydrophobicContact CZ-CD1 4.21Å; F149-F206 AromaticContact CZ-CE1 3.67Å; F149-F206 HydrophobicContact CZ-CE1 3.67Å; F149-F206 AromaticContact CZ-CZ 3.88Å; F149-F206 HydrophobicContact CZ-CZ 3.88Å; M199-F206 HydrophobicContact CE-CZ 4.29Å; M199-F206 HydrophobicContact CG-CE2 4.27Å; M199-F206 HydrophobicContact CG-CZ 3.95Å; M199-F206 WeakPolarHBondContact O-CE2 3.23Å; N202-F206 HydrophobicContact CB-CE2 3.99Å; N202-F206 HydrophobicContact CB-CZ 4.41Å; N202-F206 WeakPolarHBondContact O-CD2 3.2Å; N202-F206 WeakPolarHBondContact O-CE2 3.42Å; F206-S208 PolarHBondContact O-N 3.37Å; F206-F211 AromaticContact CD1-CD1 3.56Å; F206-F211 HydrophobicContact CD1-CD1 3.56Å; F206-F211 AromaticContact CD1-CE1 3.96Å; F206-F211 HydrophobicContact CD1-CE1 3.96Å; F206-F211 HydrophobicContact CD1-CG 4.49Å; F206-F211 HydrophobicContact CE1-CD1 4.13Å; F206-F211 HydrophobicContact CE1-CE1 4.15Å; F206-K212 HydrophobicContact CB-CB 4.3Å; F206-K212 HydrophobicContact CD1-CB 4.01Å; F206-K212 HydrophobicContact CD1-CG 4.38Å; F206-K212 HydrophobicContact CD2-CG 4.39Å; F206-K212 HydrophobicContact CG-CB 4.1Å; F206-K212 HydrophobicContact CG-CG 4.25Å; F206-T215 HydrophobicContact CE1-CG2 3.91Å; F206-T215 HydrophobicContact CZ-CG2 4.04Å
207	R	71.8	Confident	77.1	Confident	250 Å²	250	96 Å²	96	94%	0.943	47%	0.472	S	S	*	.	S	Bend	trans	-63.9	-21	177	-63.8	-175	-178.5	177.6	1.5	114.5	T205	T205-R207 PolarHBondContact O-N 3.33Å
208	S	82.9	Confident	77.7	Confident	55 Å²	55	95.8 Å²	95.8	39%	0.385	47%	0.466	S	S	.	.			trans	-146	147.7	-179.6	81.8	0	0	0	0	114.1	F206 K210 F211 K212	F206-S208 PolarHBondContact O-N 3.37Å; S208-K210 PolarHBondContact O-N 3.23Å; S208-F211 PolarHBondContact O-N 3.19Å; S208-F211 VanDerWaalsContact OG-CB 3.24Å; S208-F211 WeakPolarHBondContact OG-CB 3.44Å; S208-F211 PolarHBondContact OG-N 3.37Å; S208-K212 PolarHBondContact O-N 3.46Å
209	K	83.9	Confident	78.2	Confident	193 Å²	193	95.2 Å²	95.2	84%	0.839	46%	0.464	S	S	*	.	H	α-helix	trans	-60.2	-32.3	174.3	-64.8	-175.7	-179.7	-179.2	0	112.7	K213	K209-K213 PolarHBondContact O-N 2.96Å; K209-K213 VanDerWaalsContact O-N 3.14Å
210	K	85.8	Confident	78.7	Confident	182 Å²	182	94.6 Å²	94.6	79%	0.791	46%	0.462	S	S	*	.	H	α-helix	trans	-68.1	-45.2	176.6	-71.3	-175.3	178.6	-178.2	0	111.3	S208 K212 K213 L214	S208-K210 PolarHBondContact O-N 3.23Å; K210-K212 VanDerWaalsContact C-N 3.34Å; K210-K212 PolarHBondContact O-N 3.12Å; K210-K213 PolarHBondContact O-N 2.82Å; K210-L214 PolarHBondContact O-N 3.09Å
211	F	84.4	Confident	79.3	Confident	86 Å²	86	91.3 Å²	91.3	38%	0.377	45%	0.449	S	S	.	.	H	α-helix	trans	-62	-43	177.1	-171.9	-118.5	0	0	0	111	F149 F206 S208 K213 L214 T215	F149-F211 HydrophobicContact CD1-CE1 4.29Å; F149-F211 HydrophobicContact CD1-CZ 4.13Å; F149-F211 AromaticContact CE1-CE1 3.58Å; F149-F211 HydrophobicContact CE1-CE1 3.58Å; F149-F211 AromaticContact CE1-CZ 3.84Å; F149-F211 HydrophobicContact CE1-CZ 3.84Å; F149-F211 AromaticContact CZ-CE1 3.83Å; F149-F211 HydrophobicContact CZ-CE1 3.83Å; F149-F211 HydrophobicContact CZ-CZ 4.48Å; F206-F211 AromaticContact CD1-CD1 3.56Å; F206-F211 HydrophobicContact CD1-CD1 3.56Å; F206-F211 AromaticContact CD1-CE1 3.96Å; F206-F211 HydrophobicContact CD1-CE1 3.96Å; F206-F211 HydrophobicContact CD1-CG 4.49Å; F206-F211 HydrophobicContact CE1-CD1 4.13Å; F206-F211 HydrophobicContact CE1-CE1 4.15Å; S208-F211 PolarHBondContact O-N 3.19Å; S208-F211 VanDerWaalsContact OG-CB 3.24Å; S208-F211 WeakPolarHBondContact OG-CB 3.44Å; S208-F211 PolarHBondContact OG-N 3.37Å; F211-K213 VanDerWaalsContact C-N 3.34Å; F211-K213 PolarHBondContact O-N 2.89Å; F211-L214 PolarHBondContact O-N 2.91Å; F211-L214 VanDerWaalsContact O-N 3.17Å; F211-T215 PolarHBondContact O-N 3.11Å; F211-T215 PolarHBondContact O-OG1 3.35Å; F211-T215 VanDerWaalsContact O-OG1 3.14Å
212	K	83.7	Confident	79.7	Confident	93 Å²	93	85.4 Å²	85.4	40%	0.404	42%	0.417	S	S	.	.	H	α-helix	trans	-56.6	-44.2	173.3	-168.6	174.1	-176.8	169.5	0	112.7	M199 F206 S208 K210 K216	M199-K212 HydrophobicContact CE-CB 4.38Å; M199-K212 HydrophobicContact CE-CD 4.25Å; M199-K212 HydrophobicContact CE-CG 3.29Å; M199-K212 WeakPolarHBondContact CE-O 3.28Å; F206-K212 HydrophobicContact CB-CB 4.3Å; F206-K212 HydrophobicContact CD1-CB 4.01Å; F206-K212 HydrophobicContact CD1-CG 4.38Å; F206-K212 HydrophobicContact CD2-CG 4.39Å; F206-K212 HydrophobicContact CG-CB 4.1Å; F206-K212 HydrophobicContact CG-CG 4.25Å; S208-K212 PolarHBondContact O-N 3.46Å; K210-K212 VanDerWaalsContact C-N 3.34Å; K210-K212 PolarHBondContact O-N 3.12Å; K212-K216 WeakPolarHBondContact O-CB 3.2Å; K212-K216 PolarHBondContact O-N 3.27Å
213	K	87.6	Confident	80.1	Confident	168 Å²	168	87 Å²	87	73%	0.73	43%	0.426	S	S	*	.	H	α-helix	trans	-65.1	-40	177.7	-170.1	-179.6	179.6	-175.9	0	112.1	K209 K210 F211 A217	K209-K213 PolarHBondContact O-N 2.96Å; K209-K213 VanDerWaalsContact O-N 3.14Å; K210-K213 PolarHBondContact O-N 2.82Å; F211-K213 VanDerWaalsContact C-N 3.34Å; F211-K213 PolarHBondContact O-N 2.89Å; K213-A217 PolarHBondContact O-N 2.94Å
214	L	87.1	Confident	80.5	Confident	97 Å²	97	90.5 Å²	90.5	51%	0.508	44%	0.441	S	S	.	.	H	α-helix	trans	-63.9	-51.3	176.6	176	62.7	0	0	0	111.2	K210 F211 K216 A217 I218	K210-L214 PolarHBondContact O-N 3.09Å; F211-L214 PolarHBondContact O-N 2.91Å; F211-L214 VanDerWaalsContact O-N 3.17Å; L214-K216 VanDerWaalsContact C-N 3.27Å; L214-K216 PolarHBondContact O-N 2.79Å; L214-A217 WeakPolarHBondContact O-CB 3.35Å; L214-A217 PolarHBondContact O-N 3.49Å; L214-I218 HydrophobicContact CD1-CD1 4.09Å; L214-I218 HydrophobicContact CD1-CG1 4.39Å; L214-I218 HydrophobicContact CG-CD1 3.97Å; L214-I218 WeakPolarHBondContact O-CG1 3.46Å; L214-I218 PolarHBondContact O-N 3.49Å
215	T	85	Confident	80.5	Confident	6 Å²	6	90.1 Å²	90.1	4%	0.037	43%	0.429	C	S	.	.	H	α-helix	trans	-58.7	-40.2	178.2	-55.8	0	0	0	0	111.3	F149 I152 F206 F211 A217 I218 C219	F149-T215 HydrophobicContact CE1-CG2 4.3Å; I152-T215 HydrophobicContact CD1-CG2 4.01Å; F206-T215 HydrophobicContact CE1-CG2 3.91Å; F206-T215 HydrophobicContact CZ-CG2 4.04Å; F211-T215 PolarHBondContact O-N 3.11Å; F211-T215 PolarHBondContact O-OG1 3.35Å; F211-T215 VanDerWaalsContact O-OG1 3.14Å; T215-A217 VanDerWaalsContact C-N 3.31Å; T215-A217 PolarHBondContact O-N 2.97Å; T215-I218 PolarHBondContact O-N 3.26Å; T215-C219 WeakPolarHBondContact O-CB 3.32Å; T215-C219 PolarHBondContact O-N 3.02Å; T215-C219 PolarHBondContact O-SG 2.88Å; T215-C219 VanDerWaalsContact O-SG 3.32Å
216	K	85.7	Confident	80.3	Confident	119 Å²	119	91.7 Å²	91.7	52%	0.517	44%	0.443	S	S	.	.	H	α-helix	trans	-58.7	-42.4	174.6	-169	169.9	-180	171.5	0	112.8	M199 K212 L214 G220	M199-K216 HydrophobicContact CE-CB 3.7Å; M199-K216 HydrophobicContact CE-CG 4.44Å; M199-K216 HydrophobicContact SD-CB 3.69Å; M199-K216 HydrophobicContact SD-CD 4.45Å; M199-K216 HydrophobicContact SD-CG 3.94Å; K212-K216 WeakPolarHBondContact O-CB 3.2Å; K212-K216 PolarHBondContact O-N 3.27Å; L214-K216 VanDerWaalsContact C-N 3.27Å; L214-K216 PolarHBondContact O-N 2.79Å; K216-G220 PolarHBondContact O-N 2.84Å
217	A	87.8	Confident	79.7	Confident	66 Å²	66	92.7 Å²	92.7	55%	0.545	45%	0.448	S	S	.	.	H	α-helix	trans	-67.4	-38.6	178.9	0	0	0	0	0	111.8	K213 L214 T215 L221	K213-A217 PolarHBondContact O-N 2.94Å; L214-A217 WeakPolarHBondContact O-CB 3.35Å; L214-A217 PolarHBondContact O-N 3.49Å; T215-A217 VanDerWaalsContact C-N 3.31Å; T215-A217 PolarHBondContact O-N 2.97Å; A217-L221 PolarHBondContact O-N 3Å
218	I	86	Confident	79.4	Confident	43 Å²	43	81 Å²	81	22%	0.221	41%	0.405	C	S	.	.	H	α-helix	trans	-65.6	-47.7	175.4	-65.7	168.8	0	0	0	110.6	I152 M156 L214 T215 G220 L221 I222	I152-I218 HydrophobicContact CG2-CG2 3.74Å; M156-I218 HydrophobicContact CG-CG2 4.25Å; M156-I218 HydrophobicContact SD-CG2 3.82Å; L214-I218 HydrophobicContact CD1-CD1 4.09Å; L214-I218 HydrophobicContact CD1-CG1 4.39Å; L214-I218 HydrophobicContact CG-CD1 3.97Å; L214-I218 WeakPolarHBondContact O-CG1 3.46Å; L214-I218 PolarHBondContact O-N 3.49Å; T215-I218 PolarHBondContact O-N 3.26Å; I218-G220 VanDerWaalsContact C-N 3.33Å; I218-G220 PolarHBondContact O-N 3.47Å; I218-L221 WeakPolarHBondContact O-CB 3.49Å; I218-L221 PolarHBondContact O-N 3.47Å; I218-I222 HydrophobicContact CG2-CD1 3.79Å; I218-I222 HydrophobicContact CG2-CG1 4.49Å; I218-I222 WeakPolarHBondContact O-CG1 3.48Å; I218-I222 PolarHBondContact O-N 3.37Å
219	C	83.4	Confident	79.3	Confident	1 Å²	1	85.6 Å²	85.6	1%	0.007	41%	0.414	C	S	.	.	H	α-helix	trans	-58.1	-44.3	176.2	-74.5	0	0	0	0	111.9	M195 T215 L221 I222 D223	M195-C219 HydrophobicContact CB-CB 3.91Å; M195-C219 HydrophobicContact CG-CB 4.47Å; T215-C219 WeakPolarHBondContact O-CB 3.32Å; T215-C219 PolarHBondContact O-N 3.02Å; T215-C219 PolarHBondContact O-SG 2.88Å; T215-C219 VanDerWaalsContact O-SG 3.32Å; C219-L221 PolarHBondContact O-N 3.23Å; C219-I222 PolarHBondContact O-N 3.31Å; C219-D223 WeakPolarHBondContact O-CB 3.09Å; C219-D223 PolarHBondContact O-N 3.49Å
220	G	83.1	Confident	79.6	Confident	6 Å²	6	76.5 Å²	76.5	6%	0.062	37%	0.374	C	S	.	.	H	α-helix	trans	-59.9	-44.1	174.7	0	0	0	0	0	112.4	K216 I218 I222 D223 D224	K216-G220 PolarHBondContact O-N 2.84Å; I218-G220 VanDerWaalsContact C-N 3.33Å; I218-G220 PolarHBondContact O-N 3.47Å; G220-I222 VanDerWaalsContact C-N 3.32Å; G220-I222 PolarHBondContact O-N 2.86Å; G220-D223 PolarHBondContact O-N 3.3Å; G220-D224 WeakPolarHBondContact O-CB 3.01Å; G220-D224 PolarHBondContact O-N 3.38Å
221	L	81.9	Confident	79.9	Confident	77 Å²	77	68.6 Å²	68.6	40%	0.403	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-40.1	176.1	-179	69.6	0	0	0	112.7	A217 I218 C219 Y225 M227	A217-L221 PolarHBondContact O-N 3Å; I218-L221 WeakPolarHBondContact O-CB 3.49Å; I218-L221 PolarHBondContact O-N 3.47Å; C219-L221 PolarHBondContact O-N 3.23Å; L221-Y225 HydrophobicContact CD1-CD2 3.84Å; L221-Y225 HydrophobicContact CD1-CE2 3.64Å; L221-Y225 WeakPolarHBondContact O-CD2 3.17Å; L221-M227 HydrophobicContact CD1-CE 4.32Å; L221-M227 HydrophobicContact CG-CE 4.08Å
222	I	79.1	Confident	80.3	Confident	7 Å²	7	67 Å²	67	4%	0.036	34%	0.339	C	S	.	.	H	α-helix	trans	-67.3	-44	180	-67.5	165	0	0	0	110.5	I152 V155 L159 M195 I218 C219 G220 S226 M227	I152-I222 HydrophobicContact CG2-CD1 4.41Å; V155-I222 HydrophobicContact CB-CD1 4.23Å; V155-I222 HydrophobicContact CG1-CB 4.48Å; V155-I222 HydrophobicContact CG1-CD1 3.58Å; V155-I222 HydrophobicContact CG1-CG1 3.68Å; V155-I222 HydrophobicContact CG1-CG2 3.95Å; L159-I222 HydrophobicContact CD1-CG1 4.32Å; M195-I222 HydrophobicContact CG-CB 4.3Å; M195-I222 HydrophobicContact CG-CG2 3.99Å; I218-I222 HydrophobicContact CG2-CD1 3.79Å; I218-I222 HydrophobicContact CG2-CG1 4.49Å; I218-I222 WeakPolarHBondContact O-CG1 3.48Å; I218-I222 PolarHBondContact O-N 3.37Å; C219-I222 PolarHBondContact O-N 3.31Å; G220-I222 VanDerWaalsContact C-N 3.32Å; G220-I222 PolarHBondContact O-N 2.86Å; I222-S226 PolarHBondContact O-N 3.01Å; I222-M227 PolarHBondContact O-N 3.07Å; I222-M227 VanDerWaalsContact O-N 3.13Å
223	D	77.9	Confident	80.9	Confident	63 Å²	63	63 Å²	63	34%	0.337	32%	0.321	S	S	.	.	H	α-helix	trans	-73.1	-45.6	-176.8	-156.4	50.9	0	0	0	112.1	Y196 C219 G220 Y225 S226	Y196-D223 HydrophobicContact CE2-CB 4.23Å; Y196-D223 VanDerWaalsContact CE2-OD2 3.24Å; Y196-D223 WeakPolarHBondContact CE2-OD2 3.38Å; C219-D223 WeakPolarHBondContact O-CB 3.09Å; C219-D223 PolarHBondContact O-N 3.49Å; G220-D223 PolarHBondContact O-N 3.3Å; D223-Y225 PolarHBondContact O-N 3.47Å; D223-Y225 VanDerWaalsContact O-N 3.12Å; D223-S226 PolarHBondContact O-N 3.26Å
224	D	70.8	Confident	81.2	Confident	124 Å²	124	55.9 Å²	55.9	66%	0.663	29%	0.292	S	S	*	.	H	α-helix	trans	-60.2	-28.5	-176.8	-73.5	-16.6	0	0	0	112.9	G220	G220-D224 WeakPolarHBondContact O-CB 3.01Å; G220-D224 PolarHBondContact O-N 3.38Å
225	Y	63.9	Low	81.4	Confident	152 Å²	152	58 Å²	58	60%	0.596	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	5	-178.6	-74.3	-95.5	0	0	0	112.9	L221 D223 M227	L221-Y225 HydrophobicContact CD1-CD2 3.84Å; L221-Y225 HydrophobicContact CD1-CE2 3.64Å; L221-Y225 WeakPolarHBondContact O-CD2 3.17Å; D223-Y225 PolarHBondContact O-N 3.47Å; D223-Y225 VanDerWaalsContact O-N 3.12Å; Y225-M227 VanDerWaalsContact CB-CG 3.48Å; Y225-M227 WeakPolarHBondContact CB-SD 3.2Å; Y225-M227 HydrophobicContact CD1-SD 3.93Å; Y225-M227 HydrophobicContact CD2-CE 4.04Å; Y225-M227 HydrophobicContact CD2-SD 4.49Å; Y225-M227 HydrophobicContact CG-CE 3.83Å; Y225-M227 HydrophobicContact CG-CG 4.41Å; Y225-M227 HydrophobicContact CG-SD 3.73Å; Y225-M227 WeakPolarHBondContact O-CA 3.41Å; Y225-M227 PolarHBondContact O-N 3.2Å
226	S	63.2	Low	81.7	Confident	112 Å²	112	62.8 Å²	62.8	78%	0.783	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	32.4	-173.2	-60.7	0	0	0	0	112.6	I222 D223 V228	I222-S226 PolarHBondContact O-N 3.01Å; D223-S226 PolarHBondContact O-N 3.26Å; S226-V228 PolarHBondContact O-N 3.06Å
227	M	58.3	Low	82	Confident	46 Å²	46	60.6 Å²	60.6	23%	0.227	32%	0.316	C	S	.	.			trans	-84	-15.7	-137.4	-142.1	172.1	11.4	0	0	113.5	L159 L221 I222 Y225	L159-M227 HydrophobicContact CD1-CE 3.88Å; L159-M227 HydrophobicContact CD2-CB 3.79Å; L159-M227 HydrophobicContact CD2-CE 3.73Å; L159-M227 HydrophobicContact CD2-CG 3.57Å; L159-M227 HydrophobicContact CD2-SD 3.73Å; L159-M227 HydrophobicContact CG-CE 4.45Å; L221-M227 HydrophobicContact CD1-CE 4.32Å; L221-M227 HydrophobicContact CG-CE 4.08Å; I222-M227 PolarHBondContact O-N 3.07Å; I222-M227 VanDerWaalsContact O-N 3.13Å; Y225-M227 VanDerWaalsContact CB-CG 3.48Å; Y225-M227 WeakPolarHBondContact CB-SD 3.2Å; Y225-M227 HydrophobicContact CD1-SD 3.93Å; Y225-M227 HydrophobicContact CD2-CE 4.04Å; Y225-M227 HydrophobicContact CD2-SD 4.49Å; Y225-M227 HydrophobicContact CG-CE 3.83Å; Y225-M227 HydrophobicContact CG-CG 4.41Å; Y225-M227 HydrophobicContact CG-SD 3.73Å; Y225-M227 WeakPolarHBondContact O-CA 3.41Å; Y225-M227 PolarHBondContact O-N 3.2Å
228	V	66.4	Low	82.3	Confident	6 Å²	6	64.1 Å²	64.1	4%	0.036	32%	0.321	C	S	.	.			trans	-149.6	94.4	-179.3	-174.4	0	0	0	0	110.4	V155 A158 L159 N171 S226 F230	V155-V228 HydrophobicContact CG1-CB 3.86Å; V155-V228 HydrophobicContact CG1-CG1 4.31Å; V155-V228 HydrophobicContact CG1-CG2 3.83Å; V155-V228 HydrophobicContact CG2-CB 4.49Å; V155-V228 HydrophobicContact CG2-CG1 4.33Å; A158-V228 HydrophobicContact CB-CG1 4.16Å; L159-V228 HydrophobicContact CD1-CG2 4.14Å; L159-V228 HydrophobicContact CD2-CG2 3.4Å; L159-V228 HydrophobicContact CG-CG2 3.42Å; L159-V228 VanDerWaalsContact CG-CG2 3.42Å; N171-V228 HydrophobicContact CB-CG1 4.1Å; N171-V228 WeakPolarHBondContact ND2-CG1 3.39Å; S226-V228 PolarHBondContact O-N 3.06Å; V228-F230 HydrophobicContact CG1-CD2 3.91Å; V228-F230 HydrophobicContact CG1-CE2 3.36Å; V228-F230 HydrophobicContact CG1-CZ 3.76Å
229	R	80.8	Confident	82.7	Confident	151 Å²	151	69.2 Å²	69.2	57%	0.57	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-91.2	135	160	-171.6	172.6	-177.3	-170.6	-4.4	109	L191	L191-R229 PolarHBondContact O-NE 3.23Å; L191-R229 VanDerWaalsContact O-NE 3.12Å
230	F	89.6	Confident	83.1	Confident	1 Å²	1	69.7 Å²	69.7	0%	0.004	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.3	171.5	-74.3	-89.9	0	0	0	110.1	V140 M145 F151 V155 A158 N171 M173 L191 V228	V140-F230 HydrophobicContact CB-CE1 4.03Å; V140-F230 HydrophobicContact CG2-CE1 3.68Å; V140-F230 HydrophobicContact CG2-CZ 4.17Å; M145-F230 HydrophobicContact CE-CD2 4.18Å; M145-F230 HydrophobicContact CE-CE1 4.4Å; M145-F230 HydrophobicContact CE-CE2 3.66Å; M145-F230 HydrophobicContact CE-CZ 3.8Å; F151-F230 AromaticContact CE2-CD2 3.97Å; F151-F230 HydrophobicContact CE2-CD2 3.97Å; F151-F230 HydrophobicContact CE2-CE2 4.25Å; F151-F230 HydrophobicContact CZ-CD2 4.27Å; F151-F230 HydrophobicContact CZ-CE2 4.48Å; V155-F230 HydrophobicContact CG2-CE2 3.8Å; A158-F230 HydrophobicContact CB-CZ 4.27Å; N171-F230 HydrophobicContact CB-CD1 3.63Å; N171-F230 HydrophobicContact CB-CE1 3.67Å; N171-F230 HydrophobicContact CB-CG 4.15Å; N171-F230 HydrophobicContact CB-CZ 4.22Å; N171-F230 CarbonylContact O-C 3.51Å; N171-F230 WeakPolarHBondContact O-CA 3.5Å; M173-F230 HydrophobicContact CB-CB 4.2Å; M173-F230 HydrophobicContact CB-CD1 4.39Å; M173-F230 HydrophobicContact CE-CB 4.17Å; M173-F230 HydrophobicContact CE-CG 4.33Å; L191-F230 WeakPolarHBondContact CD2-O 3.46Å; V228-F230 HydrophobicContact CG1-CD2 3.91Å; V228-F230 HydrophobicContact CG1-CE2 3.36Å; V228-F230 HydrophobicContact CG1-CZ 3.76Å
231	L	92.6	Very high	83.7	Confident	16 Å²	16	69.7 Å²	69.7	8%	0.084	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.5	168.2	-60.2	178.5	0	0	0	109	V170 N171 V172 M173 V244 H247	V170-L231 HydrophobicContact CG1-CD1 3.71Å; V170-L231 HydrophobicContact CG1-CG 4.46Å; N171-L231 PolarHBondContact O-N 3.42Å; V172-L231 CarbonylContact C-O 3.54Å; V172-L231 WeakPolarHBondContact CA-O 3.43Å; M173-L231 PolarHBondContact N-O 2.81Å; L231-V244 HydrophobicContact CB-CG2 3.85Å; L231-V244 HydrophobicContact CD1-CG2 4.09Å; L231-H247 HydrophobicContact CD1-CB 3.7Å
232	P	93.3	Very high	84.4	Confident	53 Å²	53	68.2 Å²	68.2	34%	0.344	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.3	175.4	30.7	-33.6	0	0	0	109.9	M176 L191	M176-P232 HydrophobicContact CE-CB 4.08Å; M176-P232 HydrophobicContact CG-CB 4.03Å; M176-P232 HydrophobicContact SD-CB 4.46Å; L191-P232 HydrophobicContact CD1-CB 4.34Å; L191-P232 HydrophobicContact CD1-CG 4.11Å; L191-P232 HydrophobicContact CD2-CB 4.35Å; L191-P232 HydrophobicContact CD2-CG 4.49Å
233	F	94.9	Very high	85.1	Confident	8 Å²	8	71.7 Å²	71.7	4%	0.035	36%	0.358	C	S	.	.			trans	-129	111.9	177.2	-172.6	-91	0	0	0	110.5	Y19 T22 M23 V172 M173 T174 K175 M176 I241 V244	Y19-F233 HydrophobicContact CD2-CD1 4.45Å; Y19-F233 HydrophobicContact CD2-CD2 4.22Å; Y19-F233 HydrophobicContact CD2-CE1 4.01Å; Y19-F233 AromaticContact CD2-CE2 3.74Å; Y19-F233 HydrophobicContact CD2-CE2 3.74Å; Y19-F233 AromaticContact CD2-CZ 3.62Å; Y19-F233 HydrophobicContact CD2-CZ 3.62Å; Y19-F233 HydrophobicContact CE2-CD2 4.23Å; Y19-F233 AromaticContact CE2-CE2 3.8Å; Y19-F233 HydrophobicContact CE2-CE2 3.8Å; Y19-F233 HydrophobicContact CE2-CZ 4.14Å; T22-F233 HydrophobicContact CG2-CE1 4.41Å; T22-F233 HydrophobicContact CG2-CZ 3.8Å; M23-F233 HydrophobicContact CE-CE2 4.33Å; V172-F233 HydrophobicContact CG1-CB 3.32Å; V172-F233 HydrophobicContact CG1-CD2 4.33Å; V172-F233 HydrophobicContact CG1-CG 4Å; M173-F233 PolarHBondContact O-N 3.31Å; T174-F233 HydrophobicContact CG2-CD1 4.47Å; K175-F233 PolarHBondContact N-O 3.29Å; M176-F233 PolarHBondContact N-O 2.95Å; F233-I241 HydrophobicContact CD2-CG1 4.42Å; F233-I241 HydrophobicContact CE2-CB 4.31Å; F233-I241 HydrophobicContact CE2-CG1 3.78Å; F233-I241 HydrophobicContact CE2-CG2 4.26Å; F233-I241 HydrophobicContact CZ-CG1 4.07Å; F233-V244 HydrophobicContact CD2-CB 4.43Å; F233-V244 HydrophobicContact CD2-CG2 4.13Å
234	D	93.7	Very high	86	Confident	20 Å²	20	68.7 Å²	68.7	11%	0.107	34%	0.342	C	S	.	.			trans	-115.3	119.9	172.5	-173.5	-32	0	0	0	107.5	M176 D177 T236 D237	M176-D234 HydrophobicContact CB-CB 4.07Å; D177-D234 WeakPolarHBondContact CA-OD2 3.49Å; D177-D234 WeakPolarHBondContact CB-OD1 3.42Å; D177-D234 PolarHBondContact N-OD2 2.77Å; D234-T236 PolarHBondContact O-N 3.02Å; D234-T236 VanDerWaalsContact O-N 3.12Å; D234-T236 WeakPolarHBondContact OD1-CB 3.49Å; D234-T236 PolarHBondContact OD1-N 2.95Å; D234-T236 PolarHBondContact OD1-OG1 3.33Å; D234-D237 HydrophobicContact CB-CB 3.9Å; D234-D237 PolarHBondContact O-N 3.32Å; D234-D237 VanDerWaalsContact O-N 3.09Å
235	R	91.3	Very high	87.2	Confident	142 Å²	142	63 Å²	63	54%	0.536	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.7	-178.7	66	178.7	175.5	160.2	0.5	113.9	T22 D177	T22-R235 HydrophobicContact CG2-CB 4.39Å; D177-R235 IonicContact OD2-CZ 3.38Å; D177-R235 IonicContact OD2-NE 3.29Å; D177-R235 PolarHBondContact OD2-NE 3.14Å; D177-R235 IonicContact OD2-NH2 2.67Å
236	T	91.8	Very high	88.6	Confident	106 Å²	106	60.9 Å²	60.9	65%	0.65	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-8.2	178.1	68.9	0	0	0	0	112.7	D234	D234-T236 PolarHBondContact O-N 3.02Å; D234-T236 VanDerWaalsContact O-N 3.12Å; D234-T236 WeakPolarHBondContact OD1-CB 3.49Å; D234-T236 PolarHBondContact OD1-N 2.95Å; D234-T236 PolarHBondContact OD1-OG1 3.33Å
237	D	93.6	Very high	90.1	Very high	72 Å²	72	59.6 Å²	59.6	39%	0.385	29%	0.288	S	S	.	.			trans	-107.6	96.8	-176.9	-178.1	7.4	0	0	0	110.7	D234 E239 G240 I241	D234-D237 HydrophobicContact CB-CB 3.9Å; D234-D237 PolarHBondContact O-N 3.32Å; D234-D237 VanDerWaalsContact O-N 3.09Å; D237-E239 VanDerWaalsContact C-N 3.27Å; D237-E239 PolarHBondContact O-N 3.01Å; D237-E239 PolarHBondContact OD1-N 3.42Å; D237-G240 PolarHBondContact O-N 2.84Å; D237-G240 PolarHBondContact OD1-N 2.87Å; D237-I241 WeakPolarHBondContact O-CD1 3.5Å; D237-I241 VanDerWaalsContact O-CG1 3.27Å; D237-I241 WeakPolarHBondContact O-CG1 3.36Å; D237-I241 PolarHBondContact O-N 3.04Å
238	E	93	Very high	91.9	Very high	140 Å²	140	57.4 Å²	57.4	65%	0.654	28%	0.277	S	S	*	.	H	α-helix	trans	-61.5	-33.1	179.8	-70.3	-172.6	167.5	0	0	113.2	I241 N242	E238-I241 PolarHBondContact O-N 2.67Å; E238-N242 WeakPolarHBondContact O-CB 3.35Å; E238-N242 PolarHBondContact O-N 3.04Å
239	E	93.4	Very high	93.2	Very high	151 Å²	151	57.7 Å²	57.7	71%	0.706	28%	0.279	S	S	*	.	H	α-helix	trans	-67.7	-44.5	177.8	-67.2	-173.9	173.9	0	0	110.4	D237 I241 N242 I243	D237-E239 VanDerWaalsContact C-N 3.27Å; D237-E239 PolarHBondContact O-N 3.01Å; D237-E239 PolarHBondContact OD1-N 3.42Å; E239-I241 PolarHBondContact O-N 3.42Å; E239-N242 PolarHBondContact O-N 3.34Å; E239-I243 VanDerWaalsContact O-CG1 3.28Å; E239-I243 WeakPolarHBondContact O-CG1 3.28Å; E239-I243 PolarHBondContact O-N 3.25Å
240	G	93.2	Very high	93.8	Very high	10 Å²	10	58.3 Å²	58.3	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-43.2	175.3	0	0	0	0	0	112.8	D237 I243 V244	D237-G240 PolarHBondContact O-N 2.84Å; D237-G240 PolarHBondContact OD1-N 2.87Å; G240-I243 PolarHBondContact O-N 3.19Å; G240-V244 PolarHBondContact O-N 2.64Å; G240-V244 VanDerWaalsContact O-N 3.11Å
241	I	95.8	Very high	93.9	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-46.8	175.4	-64.7	162.4	0	0	0	110.4	T22 M23 H26 F233 D237 E238 E239 I243 V244 L245	T22-I241 HydrophobicContact CG2-CD1 3.48Å; T22-I241 VanDerWaalsContact CG2-CD1 3.48Å; T22-I241 HydrophobicContact CG2-CG1 4.09Å; T22-I241 HydrophobicContact CG2-CG2 4.47Å; M23-I241 HydrophobicContact CE-CG2 3.43Å; M23-I241 VanDerWaalsContact CE-CG2 3.43Å; M23-I241 HydrophobicContact SD-CG2 4.35Å; H26-I241 HydrophobicContact CB-CG2 3.74Å; H26-I241 VanDerWaalsContact CG-CG2 3.45Å; F233-I241 HydrophobicContact CD2-CG1 4.42Å; F233-I241 HydrophobicContact CE2-CB 4.31Å; F233-I241 HydrophobicContact CE2-CG1 3.78Å; F233-I241 HydrophobicContact CE2-CG2 4.26Å; F233-I241 HydrophobicContact CZ-CG1 4.07Å; D237-I241 WeakPolarHBondContact O-CD1 3.5Å; D237-I241 VanDerWaalsContact O-CG1 3.27Å; D237-I241 WeakPolarHBondContact O-CG1 3.36Å; D237-I241 PolarHBondContact O-N 3.04Å; E238-I241 PolarHBondContact O-N 2.67Å; E239-I241 PolarHBondContact O-N 3.42Å; I241-I243 PolarHBondContact O-N 3.3Å; I241-V244 PolarHBondContact O-N 3.24Å; I241-L245 PolarHBondContact O-N 3.27Å
242	N	95.2	Very high	93.9	Very high	47 Å²	47	59.9 Å²	59.9	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-39.4	178.9	179.1	58.6	0	0	0	112.2	H26 E238 E239 V244 L245 Q246	H26-N242 WeakPolarHBondContact NE2-CA 3.35Å; H26-N242 WeakPolarHBondContact NE2-CB 3.36Å; E238-N242 WeakPolarHBondContact O-CB 3.35Å; E238-N242 PolarHBondContact O-N 3.04Å; E239-N242 PolarHBondContact O-N 3.34Å; N242-V244 VanDerWaalsContact C-N 3.34Å; N242-V244 PolarHBondContact O-N 3.4Å; N242-L245 PolarHBondContact O-N 3.28Å; N242-Q246 PolarHBondContact ND2-NE2 2.86Å; N242-Q246 WeakPolarHBondContact O-CB 3.23Å; N242-Q246 VanDerWaalsContact O-CG 3.28Å; N242-Q246 WeakPolarHBondContact O-CG 3.36Å; N242-Q246 PolarHBondContact O-N 3.08Å
243	I	95	Very high	93.7	Very high	79 Å²	79	61.7 Å²	61.7	41%	0.405	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-45.9	175.3	-71.3	164.8	0	0	0	110.4	E239 G240 I241 L245 Q246 H247	E239-I243 VanDerWaalsContact O-CG1 3.28Å; E239-I243 WeakPolarHBondContact O-CG1 3.28Å; E239-I243 PolarHBondContact O-N 3.25Å; G240-I243 PolarHBondContact O-N 3.19Å; I241-I243 PolarHBondContact O-N 3.3Å; I243-L245 PolarHBondContact O-N 3.5Å; I243-Q246 PolarHBondContact O-N 2.91Å; I243-H247 PolarHBondContact O-CD2 3.08Å; I243-H247 VanDerWaalsContact O-CD2 3.26Å; I243-H247 PolarHBondContact O-N 2.76Å
244	V	96.1	Very high	93.3	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-46.4	177.3	172.2	0	0	0	0	110.9	Y19 V172 L231 F233 G240 I241 N242 Q246 H247 I248	Y19-V244 HydrophobicContact CE2-CG1 4.22Å; V172-V244 HydrophobicContact CG2-CG1 3.95Å; L231-V244 HydrophobicContact CB-CG2 3.85Å; L231-V244 HydrophobicContact CD1-CG2 4.09Å; F233-V244 HydrophobicContact CD2-CB 4.43Å; F233-V244 HydrophobicContact CD2-CG2 4.13Å; G240-V244 PolarHBondContact O-N 2.64Å; G240-V244 VanDerWaalsContact O-N 3.11Å; I241-V244 PolarHBondContact O-N 3.24Å; N242-V244 VanDerWaalsContact C-N 3.34Å; N242-V244 PolarHBondContact O-N 3.4Å; V244-Q246 PolarHBondContact O-N 2.97Å; V244-H247 PolarHBondContact O-N 2.9Å; V244-I248 HydrophobicContact CG1-CD1 3.83Å; V244-I248 WeakPolarHBondContact O-CD1 3.42Å; V244-I248 WeakPolarHBondContact O-CG1 3.39Å; V244-I248 PolarHBondContact O-N 2.89Å; V244-I248 VanDerWaalsContact O-N 3.11Å
245	L	95.7	Very high	92.5	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-45	176.6	-178.9	59.3	0	0	0	111.8	M23 L30 I241 N242 I243 H247 I248 D249	M23-L245 HydrophobicContact CE-CB 4.19Å; M23-L245 HydrophobicContact SD-CB 4Å; M23-L245 HydrophobicContact SD-CD1 3.89Å; M23-L245 HydrophobicContact SD-CD2 4Å; M23-L245 HydrophobicContact SD-CG 4.18Å; L30-L245 HydrophobicContact CD1-CD2 4.01Å; I241-L245 PolarHBondContact O-N 3.27Å; N242-L245 PolarHBondContact O-N 3.28Å; I243-L245 PolarHBondContact O-N 3.5Å; L245-H247 PolarHBondContact O-N 3.23Å; L245-I248 PolarHBondContact O-N 3.14Å; L245-D249 WeakPolarHBondContact O-CB 3.29Å; L245-D249 VanDerWaalsContact O-CG 3.28Å; L245-D249 PolarHBondContact O-N 2.79Å
246	Q	94.1	Very high	91.7	Very high	107 Å²	107	63 Å²	63	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-39.9	177.9	-75	178.7	-4.8	0	0	113	N242 I243 V244 I248 D249 F250	N242-Q246 PolarHBondContact ND2-NE2 2.86Å; N242-Q246 WeakPolarHBondContact O-CB 3.23Å; N242-Q246 VanDerWaalsContact O-CG 3.28Å; N242-Q246 WeakPolarHBondContact O-CG 3.36Å; N242-Q246 PolarHBondContact O-N 3.08Å; I243-Q246 PolarHBondContact O-N 2.91Å; V244-Q246 PolarHBondContact O-N 2.97Å; Q246-I248 VanDerWaalsContact C-N 3.31Å; Q246-I248 PolarHBondContact O-N 2.92Å; Q246-D249 PolarHBondContact O-N 3.5Å; Q246-F250 WeakPolarHBondContact O-CB 3.46Å; Q246-F250 PolarHBondContact O-N 3.38Å
247	H	94.6	Very high	90.4	Very high	85 Å²	85	61.5 Å²	61.5	39%	0.394	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-38.5	175.5	-90.3	-83.8	0	0	0	112.2	L231 I243 V244 L245 S251	L231-H247 HydrophobicContact CD1-CB 3.7Å; I243-H247 PolarHBondContact O-CD2 3.08Å; I243-H247 VanDerWaalsContact O-CD2 3.26Å; I243-H247 PolarHBondContact O-N 2.76Å; V244-H247 PolarHBondContact O-N 2.9Å; L245-H247 PolarHBondContact O-N 3.23Å; H247-S251 WeakPolarHBondContact O-CB 3.47Å; H247-S251 PolarHBondContact O-N 3.12Å; H247-S251 VanDerWaalsContact O-N 3.13Å; H247-S251 PolarHBondContact O-OG 3.4Å
248	I	95.5	Very high	88.9	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-70.2	-48.4	176.7	-64.7	162.4	0	0	0	110.1	Q6 Y19 C135 V137 V170 V244 L245 Q246 F250 S251 I252	Q6-I248 HydrophobicContact CG-CG2 3.82Å; Y19-I248 WeakPolarHBondContact OH-CD1 3.44Å; C135-I248 HydrophobicContact CB-CG2 4.31Å; V137-I248 HydrophobicContact CG1-CD1 4.41Å; V137-I248 HydrophobicContact CG2-CD1 3.64Å; V137-I248 HydrophobicContact CG2-CG1 4.13Å; V170-I248 HydrophobicContact CB-CG1 4.09Å; V170-I248 HydrophobicContact CG1-CG1 4.29Å; V170-I248 HydrophobicContact CG2-CG1 3.85Å; V244-I248 HydrophobicContact CG1-CD1 3.83Å; V244-I248 WeakPolarHBondContact O-CD1 3.42Å; V244-I248 WeakPolarHBondContact O-CG1 3.39Å; V244-I248 PolarHBondContact O-N 2.89Å; V244-I248 VanDerWaalsContact O-N 3.11Å; L245-I248 PolarHBondContact O-N 3.14Å; Q246-I248 VanDerWaalsContact C-N 3.31Å; Q246-I248 PolarHBondContact O-N 2.92Å; I248-F250 VanDerWaalsContact C-N 3.28Å; I248-F250 PolarHBondContact O-N 3.26Å; I248-S251 WeakPolarHBondContact O-CA 3.1Å; I248-S251 WeakPolarHBondContact O-CB 3.47Å; I248-S251 PolarHBondContact O-N 3.14Å; I248-I252 HydrophobicContact CG2-CD1 4.24Å; I248-I252 WeakPolarHBondContact O-CG1 3.38Å; I248-I252 PolarHBondContact O-N 3.07Å
249	D	94.3	Very high	87	Confident	13 Å²	13	63 Å²	63	7%	0.07	32%	0.316	C	S	.	.	H	α-helix	trans	-55.8	-43.8	177.4	-76.5	-1.4	0	0	0	111.2	R32 Y102 L245 Q246 S251 I252 Q253 Y254	R32-D249 IonicContact CZ-OD2 2.98Å; R32-D249 IonicContact NH1-OD2 3.18Å; R32-D249 PolarHBondContact NH1-OD2 3.27Å; R32-D249 IonicContact NH2-OD2 2.7Å; Y102-D249 WeakPolarHBondContact CE2-OD1 3.33Å; Y102-D249 PolarHBondContact OH-OD1 2.95Å; L245-D249 WeakPolarHBondContact O-CB 3.29Å; L245-D249 VanDerWaalsContact O-CG 3.28Å; L245-D249 PolarHBondContact O-N 2.79Å; Q246-D249 PolarHBondContact O-N 3.5Å; D249-S251 VanDerWaalsContact C-N 3.32Å; D249-S251 PolarHBondContact O-N 3.03Å; D249-I252 CarbonylContact O-C 3.34Å; D249-I252 PolarHBondContact O-N 3.24Å; D249-Q253 CarbonylContact O-C 3.54Å; D249-Q253 WeakPolarHBondContact O-CA 3.24Å; D249-Q253 PolarHBondContact O-N 3.44Å; D249-Y254 HydrophobicContact CB-CD1 4.42Å; D249-Y254 PolarHBondContact O-N 3.01Å
250	F	93.1	Very high	85	Confident	163 Å²	163	62.3 Å²	62.3	72%	0.715	32%	0.321	S	S	*	.	H	α-helix	trans	-61.5	-41	173.6	-178.1	-98.6	0	0	0	112.1	Q246 I248 I252 Q253	Q246-F250 WeakPolarHBondContact O-CB 3.46Å; Q246-F250 PolarHBondContact O-N 3.38Å; I248-F250 VanDerWaalsContact C-N 3.28Å; I248-F250 PolarHBondContact O-N 3.26Å; F250-I252 VanDerWaalsContact C-N 3.33Å; F250-I252 PolarHBondContact O-N 3.29Å; F250-Q253 PolarHBondContact O-N 3.17Å
251	S	91.9	Very high	82.9	Confident	45 Å²	45	71 Å²	71	32%	0.315	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-32.2	-179.2	-58.3	0	0	0	0	113.1	H247 I248 D249	H247-S251 WeakPolarHBondContact O-CB 3.47Å; H247-S251 PolarHBondContact O-N 3.12Å; H247-S251 VanDerWaalsContact O-N 3.13Å; H247-S251 PolarHBondContact O-OG 3.4Å; I248-S251 WeakPolarHBondContact O-CA 3.1Å; I248-S251 WeakPolarHBondContact O-CB 3.47Å; I248-S251 PolarHBondContact O-N 3.14Å; D249-S251 VanDerWaalsContact C-N 3.32Å; D249-S251 PolarHBondContact O-N 3.03Å
252	I	92.3	Very high	80.2	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.026	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	4.9	176.8	68.5	-169.4	0	0	0	113	Y4 Y102 R133 C135 I248 D249 F250 Y254	Y4-I252 HydrophobicContact CD1-CB 4.22Å; Y4-I252 HydrophobicContact CD1-CD1 3.88Å; Y4-I252 HydrophobicContact CD1-CG1 3.86Å; Y4-I252 HydrophobicContact CE1-CG1 4.45Å; Y4-I252 HydrophobicContact CG-CD1 4.34Å; Y102-I252 HydrophobicContact CE2-CD1 3.93Å; R133-I252 HydrophobicContact CB-CB 4.13Å; R133-I252 WeakPolarHBondContact CD-O 3.44Å; C135-I252 HydrophobicContact CB-CG2 3.27Å; I248-I252 HydrophobicContact CG2-CD1 4.24Å; I248-I252 WeakPolarHBondContact O-CG1 3.38Å; I248-I252 PolarHBondContact O-N 3.07Å; D249-I252 CarbonylContact O-C 3.34Å; D249-I252 PolarHBondContact O-N 3.24Å; F250-I252 VanDerWaalsContact C-N 3.33Å; F250-I252 PolarHBondContact O-N 3.29Å; I252-Y254 PolarHBondContact O-N 3.23Å
253	Q	89.6	Confident	77.9	Confident	91 Å²	91	82.1 Å²	82.1	43%	0.425	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	40.2	-176.5	-60.9	175.4	-62	0	0	112.6	R133 D249 F250 G255 E256	R133-Q253 VanDerWaalsContact NH1-CB 3.32Å; R133-Q253 PolarHBondContact NH1-O 3.45Å; D249-Q253 CarbonylContact O-C 3.54Å; D249-Q253 WeakPolarHBondContact O-CA 3.24Å; D249-Q253 PolarHBondContact O-N 3.44Å; F250-Q253 PolarHBondContact O-N 3.17Å; Q253-G255 PolarHBondContact O-N 3.14Å; Q253-E256 HydrophobicContact CB-CG 4.3Å; Q253-E256 PolarHBondContact NE2-OE2 3.18Å; Q253-E256 VanDerWaalsContact NE2-OE2 3.14Å
254	Y	87.1	Confident	75.8	Confident	40 Å²	40	87.8 Å²	87.8	16%	0.157	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	131.1	174.4	-176.2	-102.6	0	0	0	109.7	Y4 Y102 D249 I252 L258	Y4-Y254 AromaticContact CD1-CD2 3.89Å; Y4-Y254 HydrophobicContact CD1-CD2 3.89Å; Y4-Y254 AromaticContact CD2-CD2 3.51Å; Y4-Y254 HydrophobicContact CD2-CD2 3.51Å; Y4-Y254 AromaticContact CD2-CE2 3.76Å; Y4-Y254 HydrophobicContact CD2-CE2 3.76Å; Y4-Y254 AromaticContact CE1-CD2 3.84Å; Y4-Y254 HydrophobicContact CE1-CD2 3.84Å; Y4-Y254 HydrophobicContact CE1-CG 4.47Å; Y4-Y254 AromaticContact CE2-CD2 3.46Å; Y4-Y254 HydrophobicContact CE2-CD2 3.46Å; Y4-Y254 VanDerWaalsContact CE2-CD2 3.46Å; Y4-Y254 AromaticContact CE2-CE2 3.75Å; Y4-Y254 HydrophobicContact CE2-CE2 3.75Å; Y4-Y254 AromaticContact CG-CD2 3.71Å; Y4-Y254 HydrophobicContact CG-CD2 3.71Å; Y4-Y254 HydrophobicContact CG-CE2 4.34Å; Y4-Y254 AromaticContact CZ-CD2 3.61Å; Y102-Y254 AromaticContact CD2-CD2 3.68Å; Y102-Y254 HydrophobicContact CD2-CD2 3.68Å; Y102-Y254 HydrophobicContact CD2-CE1 4.48Å; Y102-Y254 AromaticContact CD2-CE2 3.58Å; Y102-Y254 HydrophobicContact CD2-CE2 3.58Å; Y102-Y254 HydrophobicContact CD2-CG 4.21Å; Y102-Y254 AromaticContact CD2-CZ 3.99Å; Y102-Y254 HydrophobicContact CE2-CD1 4.3Å; Y102-Y254 AromaticContact CE2-CD2 3.86Å; Y102-Y254 HydrophobicContact CE2-CD2 3.86Å; Y102-Y254 HydrophobicContact CE2-CE2 4.16Å; Y102-Y254 AromaticContact CE2-CG 3.94Å; Y102-Y254 HydrophobicContact CE2-CG 3.94Å; D249-Y254 HydrophobicContact CB-CD1 4.42Å; D249-Y254 PolarHBondContact O-N 3.01Å; I252-Y254 PolarHBondContact O-N 3.23Å; Y254-L258 HydrophobicContact CE1-CD1 4.49Å
255	G	77.2	Confident	73.3	Confident	33 Å²	33	96.1 Å²	96.1	34%	0.34	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-5.8	176.7	0	0	0	0	0	116.8	Q253 D257	Q253-G255 PolarHBondContact O-N 3.14Å; G255-D257 VanDerWaalsContact C-N 3.29Å
256	E	73.9	Confident	71	Confident	124 Å²	124	102.1 Å²	102.1	58%	0.579	51%	0.514	S	S	*	.	S	Bend	trans	-69.1	-30.6	171.8	-66.4	-169.6	160.9	0	0	112.1	Q253	Q253-E256 HydrophobicContact CB-CG 4.3Å; Q253-E256 PolarHBondContact NE2-OE2 3.18Å; Q253-E256 VanDerWaalsContact NE2-OE2 3.14Å
257	D	64.1	Low	68.6	Low	75 Å²	75	103.8 Å²	103.8	40%	0.401	53%	0.526	S	S	.	.	S	Bend	trans	-98.2	-0.2	-178.8	-59.9	-49.9	0	0	0	112.8	R133 G255 E259	R133-D257 IonicContact CZ-OD2 3.98Å; R133-D257 IonicContact NH1-OD2 3.82Å; R133-D257 PolarHBondContact NH1-OD2 2.73Å; R133-D257 IonicContact NH2-OD2 3.76Å; R133-D257 PolarHBondContact NH2-OD2 3.2Å; G255-D257 VanDerWaalsContact C-N 3.29Å; D257-E259 PolarHBondContact O-N 3.29Å
258	L	61.1	Low	66.1	Low	82 Å²	82	108.1 Å²	108.1	43%	0.429	55%	0.547	S	S	.	.			trans	-71	113.2	177.6	-75.9	174.3	0	0	0	109.2	Y254 V260	Y254-L258 HydrophobicContact CE1-CD1 4.49Å; L258-V260 PolarHBondContact O-N 3.32Å
259	E	53.7	Low	63.5	Low	161 Å²	161	116.8 Å²	116.8	75%	0.752	59%	0.587	S	S	*	*			trans	-55.5	134.6	168.6	-69.1	-172	165.1	0	0	109.4	D257 K261	D257-E259 PolarHBondContact O-N 3.29Å; E259-K261 PolarHBondContact O-N 2.98Å
260	V	51.1	Low	60.9	Low	137 Å²	137	124.9 Å²	124.9	83%	0.83	63%	0.625	S	S	*	*			trans	-59.3	105.4	173.5	179.6	0	0	0	0	107	L258 E262	L258-V260 PolarHBondContact O-N 3.32Å; V260-E262 PolarHBondContact O-N 3.28Å
261	K	49.7	Very low	58.5	Low	192 Å²	192	122.3 Å²	122.3	84%	0.835	63%	0.627	S	S	*	*			trans	-61	108.8	171.1	-72.1	-177.7	180	173.9	0	106.7	E259	E259-K261 PolarHBondContact O-N 2.98Å
262	E	38.8	Very low	56.2	Low	171 Å²	171	127.5 Å²	127.5	80%	0.799	65%	0.651	S	S	*	*			trans	-51.9	134.1	172.3	-69.9	-171.3	158.4	0	0	107.7	V260 K264	V260-E262 PolarHBondContact O-N 3.28Å; E262-K264 PolarHBondContact O-N 3.03Å
263	P	48	Very low	54.1	Low	117 Å²	117	135.1 Å²	135.1	76%	0.76	69%	0.691	S	S	*	*			trans	-51.9	122.3	173.8	-18.3	28.3	0	0	0	106.8	E265	P263-E265 PolarHBondContact O-N 3.49Å
264	K	50.1	Low	52.1	Low	197 Å²	197	135.7 Å²	135.7	86%	0.857	70%	0.697	S	S	*	*			trans	-52.3	113.2	172.1	-74.3	-178.3	175.7	179.9	0	106.1	E262 V266	E262-K264 PolarHBondContact O-N 3.03Å; K264-V266 PolarHBondContact O-N 2.85Å
265	E	43.7	Very low	50	Low	177 Å²	177	143.3 Å²	143.3	83%	0.827	73%	0.727	S	S	*	*			trans	-51.7	116.7	168.8	-70.9	-169.8	158.3	0	0	105	P263 D267	P263-E265 PolarHBondContact O-N 3.49Å; E265-D267 PolarHBondContact O-N 3.33Å
266	V	46.3	Very low	48.7	Very low	129 Å²	129	148.6 Å²	148.6	78%	0.782	75%	0.747	S	S	*	*			trans	-64.3	103.2	169.6	-179.8	0	0	0	0	102.7	K264 E268	K264-V266 PolarHBondContact O-N 2.85Å; V266-E268 PolarHBondContact O-N 3Å
267	D	44	Very low	47.5	Very low	142 Å²	142	149.4 Å²	149.4	76%	0.759	75%	0.751	S	S	*	*			trans	-52.7	100.3	164.6	-81.8	-40	0	0	0	105	E265 E269	E265-D267 PolarHBondContact O-N 3.33Å; D267-E269 PolarHBondContact O-N 3.38Å
268	E	42.8	Very low	46.7	Very low	177 Å²	177	151.9 Å²	151.9	83%	0.827	76%	0.763	S	S	*	*			trans	-59.6	93.6	164.3	-75.7	-173.5	165.9	0	0	104.4	V266 Q270	V266-E268 PolarHBondContact O-N 3Å; E268-Q270 PolarHBondContact O-N 2.95Å
269	E	40.7	Very low	46.1	Very low	182 Å²	182	156.8 Å²	156.8	85%	0.85	78%	0.781	S	S	*	*			trans	-44.7	117.3	165.3	-80	-173.4	156.7	0	0	105.9	D267 S271	D267-E269 PolarHBondContact O-N 3.38Å; E269-S271 PolarHBondContact O-N 3.24Å
270	Q	40.2	Very low	45.8	Very low	183 Å²	183	157 Å²	157	86%	0.855	78%	0.782	S	S	*	*			trans	-53.4	92.5	173.8	-73.2	175.2	-1	0	0	107.5	E268 N272	E268-Q270 PolarHBondContact O-N 2.95Å; Q270-N272 VanDerWaalsContact C-N 3.31Å; Q270-N272 PolarHBondContact O-N 3.2Å
271	S	41.5	Very low	45.7	Very low	108 Å²	108	158 Å²	158	76%	0.755	78%	0.783	S	S	*	*			trans	-64.3	102.5	171.4	60.7	0	0	0	0	105.4	E269 L273	E269-S271 PolarHBondContact O-N 3.24Å; S271-L273 PolarHBondContact O-N 2.98Å
272	N	43.9	Very low	45.6	Very low	154 Å²	154	158.4 Å²	158.4	82%	0.824	79%	0.785	S	S	*	*			trans	-38.6	124.2	-178.7	-78.2	-51.3	0	0	0	111.7	Q270 N274	Q270-N272 VanDerWaalsContact C-N 3.31Å; Q270-N272 PolarHBondContact O-N 3.2Å; N272-N274 PolarHBondContact O-N 2.7Å
273	L	48.8	Very low	46.1	Very low	166 Å²	166	156.6 Å²	156.6	87%	0.869	79%	0.785	S	S	*	*	S	Bend	trans	-37	111.7	162.5	-66.2	148.3	0	0	0	111.3	S271	S271-L273 PolarHBondContact O-N 2.98Å
274	N	47.5	Very low	45.9	Very low	103 Å²	103	156.7 Å²	156.7	55%	0.551	79%	0.788	S	S	*	*			trans	-166	50.5	148.7	-114.6	15.8	0	0	0	112.9	N272 D276 E277	N272-N274 PolarHBondContact O-N 2.7Å; N274-D276 VanDerWaalsContact C-N 3.27Å; N274-D276 PolarHBondContact O-N 2.8Å; N274-E277 PolarHBondContact ND2-OE2 3.13Å
275	Y	43.9	Very low	45.3	Very low	199 Å²	199	157 Å²	157	78%	0.78	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-3.9	172.3	-89.5	-79.9	0	0	0	114.2
276	D	48.1	Very low	45.4	Very low	144 Å²	144	156 Å²	156	77%	0.77	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-6.8	-176.7	-78.7	-20.3	0	0	0	115.2	N274	N274-D276 VanDerWaalsContact C-N 3.27Å; N274-D276 PolarHBondContact O-N 2.8Å
277	E	49.1	Very low	45.4	Very low	142 Å²	142	157.4 Å²	157.4	66%	0.664	82%	0.816	S	S	*	*	S	Bend	trans	-90.5	-11.9	178.1	-76.5	-173.6	160.8	0	0	114.2	N274	N274-E277 PolarHBondContact ND2-OE2 3.13Å
278	I	48.4	Very low	45.4	Very low	127 Å²	127	158.2 Å²	158.2	65%	0.651	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-15.2	-175.1	-61.6	176.3	0	0	0	112.6
279	F	46.8	Very low	45.6	Very low	184 Å²	184	157.1 Å²	157.1	81%	0.807	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	3.8	-175.8	-79.6	-79.6	0	0	0	116
280	Q	48.5	Very low	45.9	Very low	166 Å²	166	155.6 Å²	155.6	78%	0.776	82%	0.817	S	S	*	*	S	Bend	trans	-91.3	-12.7	177.5	-75	-169.5	-2.2	0	0	115.3	K282	Q280-K282 PolarHBondContact O-N 3.49Å
281	D	49.7	Very low	46.3	Very low	157 Å²	157	153.7 Å²	153.7	84%	0.84	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	21.2	-175.7	-84.9	-12.9	0	0	0	115.8
282	K	47.4	Very low	46.6	Very low	202 Å²	202	157 Å²	157	88%	0.878	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	38.4	171.8	-76.4	-167.5	179.2	178.7	0	114.8	Q280	Q280-K282 PolarHBondContact O-N 3.49Å
283	V	49.6	Very low	46.8	Very low	133 Å²	133	157.2 Å²	157.2	81%	0.806	82%	0.818	S	S	*	*			trans	-127.5	79.1	159.2	-172.3	0	0	0	0	109.1
284	S	43.5	Very low	46.7	Very low	118 Å²	118	156.5 Å²	156.5	83%	0.825	81%	0.814	S	S	*	*			trans	-165.6	74.6	165.8	-73.1	0	0	0	0	110.6
285	S	37.6	Very low	46.6	Very low	203 Å²	203	161.4 Å²	161.4	100%	1.42	84%	0.838	S	S	*	*			trans	171.7	0	144.8	-72.9	0	0	0	0	109.9

Retrieved 285 of 285 residues in 115.2 ms (Link to these results)

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