A0A096NR58_PAPAN Loading...

Intraflagellar transport protein 22 homolog

Small GTPase-like component of the intraflagellar transport (IFT) complex B.

AlphaFold DB , UniProt , Accession A0A096NR58, Species PAPAN (Papio anubis, Olive baboon), Gene IFT22, Length 185 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	73.6	Confident	94.4	Very high	130 Å²	130	22.3 Å²	22.3	64%	0.64	11%	0.106	S	C	*	.				0	132.9	0	-151.7	165.5	-161.2	0	0	106.7	E44 G56	M1-E44 WeakPolarHBondContact CE-OE1 3.37Å; M1-G56 WeakPolarHBondContact CG-O 3.47Å
2	L	87.7	Confident	94.5	Very high	21 Å²	21	23.9 Å²	23.9	11%	0.11	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.2	172.5	-73.1	174.4	0	0	0	107.8	S50 C57 E58 I169 S173	L2-S50 WeakPolarHBondContact CD1-OG 3.47Å; L2-C57 WeakPolarHBondContact O-CA 3.33Å; L2-E58 PolarHBondContact O-N 2.68Å; L2-I169 HydrophobicContact CB-CD1 4.4Å; L2-I169 HydrophobicContact CD1-CG2 3.99Å; L2-S173 WeakPolarHBondContact CD1-OG 3.41Å
3	K	94.1	Very high	94.4	Very high	73 Å²	73	29.6 Å²	29.6	32%	0.317	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	116	175.5	-172.3	166.8	-177.6	162.2	0	109	E42 E58 E60 M172	K3-E42 IonicContact NZ-OE1 2.69Å; K3-E42 PolarHBondContact NZ-OE1 2.83Å; K3-E58 CarbonylContact C-O 3.59Å; K3-E58 VanDerWaalsContact CA-O 3.27Å; K3-E58 WeakPolarHBondContact CA-O 3.47Å; K3-E58 HydrophobicContact CB-CB 4.38Å; K3-E58 HydrophobicContact CD-CG 4.32Å; K3-E58 WeakPolarHBondContact CE-OE1 3.46Å; K3-E58 HydrophobicContact CG-CB 4.17Å; K3-E58 HydrophobicContact CG-CG 4.27Å; K3-E58 IonicContact NZ-OE1 2.98Å; K3-E58 PolarHBondContact NZ-OE1 3.2Å; K3-E60 WeakPolarHBondContact CE-OE1 3.43Å; K3-E60 IonicContact NZ-OE1 2.82Å; K3-E60 PolarHBondContact NZ-OE1 3.21Å; K3-M172 VanDerWaalsContact O-CE 3.31Å; K3-M172 WeakPolarHBondContact O-CE 3.37Å
4	A	97	Very high	94.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.1	-176	0	0	0	0	0	111	E58 F59 E60 I168 I169 M172	A4-E58 PolarHBondContact N-O 3.35Å; A4-F59 HydrophobicContact CB-CD1 3.73Å; A4-F59 HydrophobicContact CB-CE1 3.92Å; A4-F59 CarbonylContact O-C 3.57Å; A4-F59 WeakPolarHBondContact O-CA 3.36Å; A4-E60 PolarHBondContact O-N 3.34Å; A4-I168 HydrophobicContact CB-CG2 4.03Å; A4-I169 HydrophobicContact CB-CD1 4.02Å; A4-M172 HydrophobicContact CB-CE 4.35Å; A4-M172 HydrophobicContact CB-SD 3.58Å; A4-M172 VanDerWaalsContact CB-SD 3.58Å
5	K	98.1	Very high	94.5	Very high	20 Å²	20	26.9 Å²	26.9	9%	0.087	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.9	175.1	173.1	175.2	169.3	-178.3	0	110.7	L7 W62 L77 K79 H82 G83	K5-L7 HydrophobicContact CG-CD2 4.39Å; K5-W62 HydrophobicContact CD-CD2 4.27Å; K5-W62 HydrophobicContact CD-CZ2 3.99Å; K5-W62 VanDerWaalsContact CE-CE2 3.47Å; K5-W62 HydrophobicContact CG-CD2 4.48Å; K5-W62 HydrophobicContact CG-CG 4.35Å; K5-L77 WeakPolarHBondContact CE-O 3.14Å; K5-L77 PolarHBondContact NZ-O 3.4Å; K5-K79 PolarHBondContact NZ-O 3.43Å; K5-H82 PolarHBondContact N-ND1 3.02Å; K5-H82 WeakPolarHBondContact O-CB 3.27Å; K5-H82 PolarHBondContact O-N 2.9Å; K5-G83 PolarHBondContact O-N 3.1Å
6	I	98.5	Very high	94.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.9	-177.4	-58.2	169	0	0	0	109	F8 F59 E60 L61 W62 G83 V85 Y164 L165	I6-F8 HydrophobicContact CG2-CD1 4.37Å; I6-F8 HydrophobicContact CG2-CE1 4.34Å; I6-F59 HydrophobicContact CD1-CD1 3.86Å; I6-E60 PolarHBondContact N-O 3.44Å; I6-L61 WeakPolarHBondContact O-CA 3.41Å; I6-W62 PolarHBondContact O-N 3.07Å; I6-G83 WeakPolarHBondContact CA-O 3.4Å; I6-V85 HydrophobicContact CG2-CG2 4.05Å; I6-Y164 HydrophobicContact CD1-CE1 4.3Å; I6-Y164 HydrophobicContact CG2-CE1 3.98Å; I6-L165 HydrophobicContact CD1-CD2 3.07Å
7	L	98.6	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.1	178.2	-54.3	-176.3	0	0	0	110.8	K5 V9 W62 A81 G83 V84 V85 F106	K5-L7 HydrophobicContact CG-CD2 4.39Å; L7-V9 HydrophobicContact CB-CG1 4.01Å; L7-W62 HydrophobicContact CD2-CB 3.54Å; L7-W62 HydrophobicContact CD2-CD2 4.23Å; L7-W62 HydrophobicContact CD2-CE3 4.31Å; L7-W62 HydrophobicContact CD2-CG 3.91Å; L7-A81 HydrophobicContact CD1-CB 3.73Å; L7-A81 HydrophobicContact CG-CB 3.87Å; L7-G83 PolarHBondContact N-O 2.84Å; L7-V84 HydrophobicContact CB-CG2 4.26Å; L7-V84 HydrophobicContact CD1-CG2 4.3Å; L7-V85 PolarHBondContact O-N 3.48Å; L7-F106 HydrophobicContact CD1-CD1 3.75Å; L7-F106 HydrophobicContact CD1-CE1 4.12Å
8	F	98.6	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.3	164.9	-91.9	40	0	0	0	108.4	I6 K16 L19 A20 L23 L61 W62 C64 V85 V87 F161	I6-F8 HydrophobicContact CG2-CD1 4.37Å; I6-F8 HydrophobicContact CG2-CE1 4.34Å; F8-K16 HydrophobicContact CB-CD 4.49Å; F8-K16 HydrophobicContact CB-CG 4.47Å; F8-L19 HydrophobicContact CE2-CB 4.05Å; F8-A20 HydrophobicContact CD2-CB 4.26Å; F8-A20 HydrophobicContact CE2-CB 4.46Å; F8-L23 HydrophobicContact CE2-CD1 4.18Å; F8-L23 HydrophobicContact CZ-CD1 3.75Å; F8-L61 HydrophobicContact CB-CD2 4.07Å; F8-L61 HydrophobicContact CD1-CD1 4.05Å; F8-L61 HydrophobicContact CD1-CD2 3.93Å; F8-L61 HydrophobicContact CD1-CG 3.86Å; F8-L61 HydrophobicContact CD2-CD1 4.47Å; F8-L61 HydrophobicContact CD2-CD2 4.2Å; F8-L61 HydrophobicContact CE1-CD1 3.74Å; F8-L61 HydrophobicContact CE1-CD2 4.46Å; F8-L61 HydrophobicContact CE1-CG 4.03Å; F8-L61 HydrophobicContact CE2-CD1 4.19Å; F8-L61 HydrophobicContact CG-CD1 4.43Å; F8-L61 HydrophobicContact CG-CD2 3.8Å; F8-L61 HydrophobicContact CG-CG 4.24Å; F8-L61 HydrophobicContact CZ-CD1 3.83Å; F8-W62 PolarHBondContact N-O 3.16Å; F8-C64 WeakPolarHBondContact O-CB 3.22Å; F8-C64 PolarHBondContact O-N 3.15Å; F8-V85 HydrophobicContact CD1-CB 3.71Å; F8-V85 HydrophobicContact CD1-CG1 4.38Å; F8-V85 HydrophobicContact CD1-CG2 4.03Å; F8-V85 HydrophobicContact CE1-CB 3.6Å; F8-V85 HydrophobicContact CE1-CG1 4Å; F8-V85 HydrophobicContact CE1-CG2 3.57Å; F8-V85 HydrophobicContact CG-CB 4.47Å; F8-V85 HydrophobicContact CZ-CB 4.28Å; F8-V85 HydrophobicContact CZ-CG1 4.18Å; F8-V85 HydrophobicContact CZ-CG2 4.39Å; F8-V87 HydrophobicContact CD2-CG2 4.02Å; F8-V87 HydrophobicContact CE2-CG2 4.3Å; F8-V87 HydrophobicContact CG-CG2 4.48Å; F8-F161 AromaticContact CE1-CE2 3.92Å; F8-F161 HydrophobicContact CE1-CE2 3.92Å; F8-F161 HydrophobicContact CE1-CZ 4.29Å; F8-F161 HydrophobicContact CZ-CE2 4.07Å; F8-F161 HydrophobicContact CZ-CZ 4.43Å
9	V	98.3	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	163.7	-174.9	-57.5	0	0	0	0	111.4	L7 C64 V84 V85 I86 V87 W102 F106	L7-V9 HydrophobicContact CB-CG1 4.01Å; V9-C64 HydrophobicContact CG1-CB 4.22Å; V9-V84 HydrophobicContact CG2-CG1 3.66Å; V9-V85 PolarHBondContact N-O 3.21Å; V9-I86 HydrophobicContact CG2-CB 4.4Å; V9-I86 HydrophobicContact CG2-CG1 3.9Å; V9-I86 CarbonylContact O-C 3.57Å; V9-I86 WeakPolarHBondContact O-CA 3.4Å; V9-V87 PolarHBondContact O-N 3.23Å; V9-W102 HydrophobicContact CB-CE3 3.79Å; V9-W102 HydrophobicContact CB-CZ3 4.07Å; V9-W102 HydrophobicContact CG2-CE3 4.24Å; V9-F106 HydrophobicContact CB-CD2 4.44Å; V9-F106 HydrophobicContact CB-CG 4.43Å; V9-F106 HydrophobicContact CG1-CD1 3.65Å; V9-F106 HydrophobicContact CG1-CD2 4.28Å; V9-F106 HydrophobicContact CG1-CE1 3.67Å; V9-F106 HydrophobicContact CG1-CE2 4.32Å; V9-F106 HydrophobicContact CG1-CG 3.95Å; V9-F106 HydrophobicContact CG1-CZ 4.01Å; V9-F106 HydrophobicContact CG2-CB 4.38Å; V9-F106 HydrophobicContact CG2-CD2 4.47Å; V9-F106 HydrophobicContact CG2-CG 4.28Å
10	G	97.4	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.			trans	134.4	174.7	-177.6	0	0	0	0	0	113	K16 G66 W102	G10-K16 PolarHBondContact O-NZ 3.38Å; G10-G66 WeakPolarHBondContact O-CA 3.43Å; G10-W102 VanDerWaalsContact C-CZ2 3.43Å; G10-W102 VanDerWaalsContact CA-CE2 3.44Å; G10-W102 VanDerWaalsContact O-CZ2 3.31Å; G10-W102 WeakPolarHBondContact O-CZ2 3.4Å
11	P	96.6	Very high	95	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.128	C	C	.	.	S	Bend	trans	-59.1	162.2	-171.3	-26.9	37.3	0	0	0	114.8	S14 K16 H95 E98	P11-S14 WeakPolarHBondContact O-CB 3.35Å; P11-S14 PolarHBondContact O-N 3.08Å; P11-S14 PolarHBondContact O-OG 3.46Å; P11-K16 PolarHBondContact O-NZ 3.27Å; P11-H95 HydrophobicContact CB-CB 4.45Å; P11-H95 WeakPolarHBondContact CB-CD2 3.45Å; P11-H95 WeakPolarHBondContact CB-NE2 3.43Å; P11-H95 HydrophobicContact CG-CB 3.9Å; P11-E98 WeakPolarHBondContact CB-OE2 3.4Å; P11-E98 HydrophobicContact CG-CB 3.9Å; P11-E98 WeakPolarHBondContact CG-OE2 3.36Å
12	C	95.2	Very high	96	Very high	42 Å²	42	19.1 Å²	19.1	28%	0.284	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	149.9	167.6	-76.4	0	0	0	0	111	S14 G66 N67 H95	C12-S14 PolarHBondContact O-N 3.47Å; C12-G66 VanDerWaalsContact SG-C 3.51Å; C12-N67 PolarHBondContact SG-N 3.5Å; C12-H95 PolarHBondContact O-CE1 3.03Å; C12-H95 PolarHBondContact O-NE2 3.18Å; C12-H95 VanDerWaalsContact O-NE2 3.15Å
13	E	94.1	Very high	96.4	Very high	98 Å²	98	18.7 Å²	18.7	46%	0.458	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	18.2	178.1	-56	179.9	-162.3	0	0	115.8	G15 Y32	E13-G15 VanDerWaalsContact C-N 3.31Å; E13-G15 PolarHBondContact O-N 3.2Å; E13-Y32 HydrophobicContact CG-CE1 3.8Å; E13-Y32 HydrophobicContact CG-CE2 4.22Å
14	S	95.2	Very high	96.5	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.007	9%	0.091	C	C	.	.	S	Bend	trans	-78	-8.4	178.1	67.3	0	0	0	0	115.8	P11 C12 K16 V87	P11-S14 WeakPolarHBondContact O-CB 3.35Å; P11-S14 PolarHBondContact O-N 3.08Å; P11-S14 PolarHBondContact O-OG 3.46Å; C12-S14 PolarHBondContact O-N 3.47Å; S14-K16 PolarHBondContact OG-NZ 3.05Å; S14-V87 WeakPolarHBondContact CB-O 3.44Å; S14-V87 WeakPolarHBondContact O-CG1 3.25Å; S14-V87 PolarHBondContact OG-O 3.16Å
15	G	94.6	Very high	96.3	Very high	17 Å²	17	24.2 Å²	24.2	18%	0.175	13%	0.129	C	C	.	.	S	Bend	trans	92.5	5.2	-178.1	0	0	0	0	0	115.7	E13 T17 V18 L19	E13-G15 VanDerWaalsContact C-N 3.31Å; E13-G15 PolarHBondContact O-N 3.2Å; G15-T17 PolarHBondContact O-N 2.89Å; G15-V18 PolarHBondContact O-N 3.43Å; G15-L19 PolarHBondContact O-N 3.31Å
16	K	96.8	Very high	95.8	Very high	10 Å²	10	25 Å²	25	4%	0.043	14%	0.137	C	C	.	.	H	α-helix	trans	-45.6	-54.7	178.1	-75	-179.3	-58.8	-66.5	0	113.8	F8 G10 P11 S14 V18 L19 A20 C64 V87	F8-K16 HydrophobicContact CB-CD 4.49Å; F8-K16 HydrophobicContact CB-CG 4.47Å; G10-K16 PolarHBondContact O-NZ 3.38Å; P11-K16 PolarHBondContact O-NZ 3.27Å; S14-K16 PolarHBondContact OG-NZ 3.05Å; K16-V18 VanDerWaalsContact C-N 3.35Å; K16-V18 PolarHBondContact O-N 3.18Å; K16-L19 PolarHBondContact O-N 3.29Å; K16-A20 WeakPolarHBondContact O-CB 3.39Å; K16-A20 PolarHBondContact O-N 2.94Å; K16-C64 WeakPolarHBondContact CE-O 3.47Å; K16-V87 HydrophobicContact CG-CB 3.64Å; K16-V87 HydrophobicContact CG-CG1 4.12Å; K16-V87 HydrophobicContact CG-CG2 3.93Å
17	T	96.4	Very high	95.1	Very high	26 Å²	26	30.1 Å²	30.1	16%	0.16	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-39.2	-175.2	-56.8	0	0	0	0	112.5	G15 N21 I29 T35 R39 D63	G15-T17 PolarHBondContact O-N 2.89Å; T17-N21 PolarHBondContact O-N 2.82Å; T17-N21 PolarHBondContact O-OD1 3.32Å; T17-I29 HydrophobicContact CG2-CD1 3.69Å; T17-T35 PolarHBondContact OG1-OG1 3.18Å; T17-R39 PolarHBondContact O-NH2 3Å; T17-D63 WeakPolarHBondContact CA-OD2 3.47Å; T17-D63 WeakPolarHBondContact CB-OD2 3.43Å; T17-D63 PolarHBondContact OG1-OD1 3.39Å; T17-D63 PolarHBondContact OG1-OD2 3.1Å
18	V	95.1	Very high	94.1	Very high	64 Å²	64	36.2 Å²	36.2	39%	0.388	21%	0.205	S	C	.	.	H	α-helix	trans	-67.4	-47.7	177	175.1	0	0	0	0	110.1	G15 K16 A20 N21 F22 L150	G15-V18 PolarHBondContact O-N 3.43Å; K16-V18 VanDerWaalsContact C-N 3.35Å; K16-V18 PolarHBondContact O-N 3.18Å; V18-A20 PolarHBondContact O-N 3.22Å; V18-N21 PolarHBondContact O-N 3.48Å; V18-F22 WeakPolarHBondContact O-CB 3.25Å; V18-F22 PolarHBondContact O-N 3.45Å; V18-L150 HydrophobicContact CG1-CD1 3.62Å
19	L	96.1	Very high	92.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-43	176.3	-76.4	167.5	0	0	0	112.5	F8 G15 K16 N21 F22 L23 V87 I120 H122 S148 L150 I157	F8-L19 HydrophobicContact CE2-CB 4.05Å; G15-L19 PolarHBondContact O-N 3.31Å; K16-L19 PolarHBondContact O-N 3.29Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 2.99Å; L19-F22 PolarHBondContact O-N 3.32Å; L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.43Å; L19-L23 WeakPolarHBondContact O-CG 3.3Å; L19-L23 PolarHBondContact O-N 3.15Å; L19-V87 HydrophobicContact CD1-CG1 3.58Å; L19-V87 HydrophobicContact CD1-CG2 4.47Å; L19-I120 HydrophobicContact CD1-CD1 4.43Å; L19-I120 HydrophobicContact CD1-CG2 3.77Å; L19-H122 HydrophobicContact CD1-CB 3.96Å; L19-S148 WeakPolarHBondContact CD2-OG 3.42Å; L19-L150 HydrophobicContact CD2-CD1 4.4Å; L19-L150 HydrophobicContact CD2-CD2 4.05Å; L19-L150 HydrophobicContact CD2-CG 4.41Å; L19-I157 HydrophobicContact CD2-CG1 4.4Å
20	A	97.4	Very high	91.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.4	-48.4	176.4	0	0	0	0	0	109.9	F8 K16 V18 F22 L23 T24 L41 L61 D63	F8-A20 HydrophobicContact CD2-CB 4.26Å; F8-A20 HydrophobicContact CE2-CB 4.46Å; K16-A20 WeakPolarHBondContact O-CB 3.39Å; K16-A20 PolarHBondContact O-N 2.94Å; V18-A20 PolarHBondContact O-N 3.22Å; A20-F22 PolarHBondContact O-N 2.97Å; A20-L23 PolarHBondContact O-N 3.19Å; A20-T24 WeakPolarHBondContact O-CG2 3.31Å; A20-T24 PolarHBondContact O-N 3.1Å; A20-T24 PolarHBondContact O-OG1 3.14Å; A20-L41 HydrophobicContact CB-CD1 3.88Å; A20-L61 HydrophobicContact CB-CD1 4.08Å; A20-L61 HydrophobicContact CB-CD2 3.63Å; A20-D63 HydrophobicContact CB-CB 4.31Å
21	N	95.8	Very high	91	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-47.4	179.4	-67.5	-6.3	0	0	0	112.3	T17 V18 L19 L23 T24 E25 S26 S27 R39	T17-N21 PolarHBondContact O-N 2.82Å; T17-N21 PolarHBondContact O-OD1 3.32Å; V18-N21 PolarHBondContact O-N 3.48Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 2.99Å; N21-L23 PolarHBondContact O-N 2.94Å; N21-T24 PolarHBondContact O-N 3.2Å; N21-E25 PolarHBondContact O-N 3.26Å; N21-S26 WeakPolarHBondContact CA-OG 3.43Å; N21-S26 WeakPolarHBondContact CB-OG 3.45Å; N21-S26 PolarHBondContact O-N 3.45Å; N21-S26 PolarHBondContact OD1-OG 3.02Å; N21-S27 PolarHBondContact ND2-O 3.45Å; N21-R39 PolarHBondContact OD1-NH1 2.93Å; N21-R39 PolarHBondContact OD1-NH2 2.92Å
22	F	95.5	Very high	90.4	Very high	28 Å²	28	61 Å²	61	12%	0.123	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-42.3	-178.7	171.2	-92.4	0	0	0	112.7	V18 L19 A20 L150 P154 I157 R158	V18-F22 WeakPolarHBondContact O-CB 3.25Å; V18-F22 PolarHBondContact O-N 3.45Å; L19-F22 PolarHBondContact O-N 3.32Å; A20-F22 PolarHBondContact O-N 2.97Å; F22-L150 HydrophobicContact CB-CD1 3.97Å; F22-L150 HydrophobicContact CD1-CD2 3.58Å; F22-L150 HydrophobicContact CD2-CD1 4.27Å; F22-L150 HydrophobicContact CD2-CD2 4.05Å; F22-L150 HydrophobicContact CE1-CD2 3.67Å; F22-L150 HydrophobicContact CE2-CD2 4.1Å; F22-L150 HydrophobicContact CG-CD1 4Å; F22-L150 HydrophobicContact CG-CD2 3.78Å; F22-L150 HydrophobicContact CZ-CD2 3.94Å; F22-P154 HydrophobicContact CE1-CB 4.48Å; F22-P154 HydrophobicContact CE2-CB 3.71Å; F22-P154 HydrophobicContact CZ-CB 3.43Å; F22-P154 VanDerWaalsContact CZ-CB 3.43Å; F22-P154 VanDerWaalsContact CZ-O 3.31Å; F22-P154 WeakPolarHBondContact CZ-O 3.21Å; F22-I157 HydrophobicContact CD1-CG2 4.5Å; F22-I157 HydrophobicContact CE1-CG2 3.81Å; F22-R158 HydrophobicContact CE1-CG 3.54Å; F22-R158 HydrophobicContact CZ-CG 3.84Å; F22-R158 VanDerWaalsContact CZ-NH1 3.29Å; F22-R158 VanDerWaalsContact CZ-NH2 3.31Å
23	L	96.4	Very high	90	Very high	12 Å²	12	63 Å²	63	6%	0.063	34%	0.343	C	S	.	.	H	α-helix	trans	-76.3	-25.7	-177.8	-70.2	172.1	0	0	0	113.3	F8 L19 A20 N21 I157 R158 F161	F8-L23 HydrophobicContact CE2-CD1 4.18Å; F8-L23 HydrophobicContact CZ-CD1 3.75Å; L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.43Å; L19-L23 WeakPolarHBondContact O-CG 3.3Å; L19-L23 PolarHBondContact O-N 3.15Å; A20-L23 PolarHBondContact O-N 3.19Å; N21-L23 PolarHBondContact O-N 2.94Å; L23-I157 HydrophobicContact CD2-CG1 4.36Å; L23-R158 HydrophobicContact CD2-CG 4.35Å; L23-F161 HydrophobicContact CB-CD1 3.99Å; L23-F161 HydrophobicContact CB-CE1 4.01Å; L23-F161 HydrophobicContact CD1-CB 4.33Å; L23-F161 HydrophobicContact CD1-CD1 3.95Å; L23-F161 HydrophobicContact CD1-CD2 4.05Å; L23-F161 HydrophobicContact CD1-CE1 4.22Å; L23-F161 HydrophobicContact CD1-CE2 4.33Å; L23-F161 HydrophobicContact CD1-CG 3.85Å; L23-F161 HydrophobicContact CD1-CZ 4.41Å; L23-F161 HydrophobicContact CD2-CB 3.84Å; L23-F161 HydrophobicContact CD2-CD1 3.86Å; L23-F161 HydrophobicContact CD2-CG 4Å; L23-F161 HydrophobicContact CG-CD1 4.15Å; L23-F161 HydrophobicContact CG-CG 4.4Å
24	T	95.3	Very high	89.9	Confident	18 Å²	18	61.1 Å²	61.1	11%	0.11	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	8.5	176.5	71.4	0	0	0	0	113	A20 N21 S26 L41 F43 L61	A20-T24 WeakPolarHBondContact O-CG2 3.31Å; A20-T24 PolarHBondContact O-N 3.1Å; A20-T24 PolarHBondContact O-OG1 3.14Å; N21-T24 PolarHBondContact O-N 3.2Å; T24-S26 PolarHBondContact O-N 3.35Å; T24-S26 VanDerWaalsContact O-N 3.1Å; T24-L41 HydrophobicContact CG2-CB 4.24Å; T24-L41 HydrophobicContact CG2-CD1 4.29Å; T24-F43 HydrophobicContact CG2-CB 4.46Å; T24-F43 HydrophobicContact CG2-CD1 3.49Å; T24-F43 VanDerWaalsContact CG2-CD1 3.49Å; T24-F43 HydrophobicContact CG2-CD2 4.47Å; T24-F43 HydrophobicContact CG2-CE1 3.74Å; T24-F43 HydrophobicContact CG2-CG 3.9Å; T24-F43 HydrophobicContact CG2-CZ 4.34Å; T24-L61 HydrophobicContact CG2-CB 4.23Å; T24-L61 HydrophobicContact CG2-CD1 3.8Å
25	E	91.7	Very high	89.8	Confident	171 Å²	171	62.3 Å²	62.3	80%	0.799	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	32.3	-176.8	-57.3	179.8	-174.3	0	0	113.6	N21	N21-E25 PolarHBondContact O-N 3.26Å
26	S	88.9	Confident	89.7	Confident	36 Å²	36	67 Å²	67	25%	0.252	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-89.9	165.4	176.3	79.7	0	0	0	0	111.3	N21 T24 D28	N21-S26 WeakPolarHBondContact CA-OG 3.43Å; N21-S26 WeakPolarHBondContact CB-OG 3.45Å; N21-S26 PolarHBondContact O-N 3.45Å; N21-S26 PolarHBondContact OD1-OG 3.02Å; T24-S26 PolarHBondContact O-N 3.35Å; T24-S26 VanDerWaalsContact O-N 3.1Å; S26-D28 PolarHBondContact O-N 2.91Å
27	S	82.6	Confident	89.5	Confident	107 Å²	107	67.3 Å²	67.3	75%	0.748	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-59	134.2	-174.4	-54	0	0	0	0	113.6	N21	N21-S27 PolarHBondContact ND2-O 3.45Å
28	D	78.1	Confident	89.5	Confident	129 Å²	129	68.4 Å²	68.4	69%	0.69	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-64.6	145.2	175.2	-68.9	-39.8	0	0	0	112.1	S26	S26-D28 PolarHBondContact O-N 2.91Å
29	I	73.6	Confident	89.6	Confident	87 Å²	87	68.4 Å²	68.4	45%	0.446	37%	0.369	S	S	.	.			trans	-109.2	117.9	173.5	-60.4	168.9	0	0	0	106.8	T17 E31	T17-I29 HydrophobicContact CG2-CD1 3.69Å; I29-E31 WeakPolarHBondContact CG2-O 3.38Å
30	T	73.1	Confident	89.7	Confident	141 Å²	141	72.1 Å²	72.1	87%	0.865	39%	0.388	S	S	*	.	S	Bend	trans	-81.9	-23.4	-175.8	53.4	0	0	0	0	113.3
31	E	82.8	Confident	89.7	Confident	156 Å²	156	73.3 Å²	73.3	73%	0.729	40%	0.395	S	S	*	.	S	Bend	trans	-117.6	132.4	-178.5	-68.7	-177	-174.7	0	0	111.4	I29 S33	I29-E31 WeakPolarHBondContact CG2-O 3.38Å; E31-S33 PolarHBondContact O-N 3.39Å
32	Y	83.5	Confident	89.7	Confident	137 Å²	137	79.1 Å²	79.1	54%	0.537	42%	0.422	S	S	.	.			trans	-65.8	124.3	178.7	177.7	-109.3	0	0	0	111.5	E13 P34	E13-Y32 HydrophobicContact CG-CE1 3.8Å; E13-Y32 HydrophobicContact CG-CE2 4.22Å; Y32-P34 HydrophobicContact CE1-CG 3.76Å
33	S	87.8	Confident	89.7	Confident	85 Å²	85	78.8 Å²	78.8	59%	0.594	42%	0.42	S	S	*	.			trans	-134.6	123	169.2	-177.5	0	0	0	0	108.9	E31 T35	E31-S33 PolarHBondContact O-N 3.39Å; S33-T35 PolarHBondContact O-N 2.94Å
34	P	91.6	Very high	89.6	Confident	57 Å²	57	84.2 Å²	84.2	37%	0.37	45%	0.445	S	S	.	.			trans	-59.9	128.6	179.7	-21.5	30	0	0	0	111.7	Y32 Q36	Y32-P34 HydrophobicContact CE1-CG 3.76Å; P34-Q36 PolarHBondContact O-N 3.1Å; P34-Q36 PolarHBondContact O-NE2 3.32Å
35	T	92.3	Very high	89.4	Confident	27 Å²	27	84.5 Å²	84.5	17%	0.166	45%	0.446	C	S	.	.			trans	-57	122.4	174	-48.5	0	0	0	0	110.4	T17 S33 R39 D63 G65	T17-T35 PolarHBondContact OG1-OG1 3.18Å; S33-T35 PolarHBondContact O-N 2.94Å; T35-R39 HydrophobicContact CG2-CB 4.22Å; T35-D63 WeakPolarHBondContact CG2-O 3.45Å; T35-G65 WeakPolarHBondContact O-CA 3.38Å
36	Q	93.4	Very high	89.2	Confident	114 Å²	114	81.7 Å²	81.7	53%	0.533	44%	0.443	S	S	.	.			trans	-89.6	109.3	177.5	-59	-55.6	-61.5	0	0	109.5	P34 V38 F70	P34-Q36 PolarHBondContact O-N 3.1Å; P34-Q36 PolarHBondContact O-NE2 3.32Å; Q36-V38 PolarHBondContact O-N 3.27Å; Q36-V38 VanDerWaalsContact O-N 3.08Å; Q36-F70 HydrophobicContact CB-CZ 4.12Å
37	G	93.3	Very high	89.2	Confident	18 Å²	18	85.8 Å²	85.8	19%	0.186	46%	0.458	C	S	.	.	S	Bend	trans	73.1	-98	-178.5	0	0	0	0	0	111.5	G65 F70	G37-G65 PolarHBondContact O-N 3.2Å; G37-F70 VanDerWaalsContact N-CE2 3.3Å
38	V	96.4	Very high	89.5	Confident	49 Å²	49	80.9 Å²	80.9	30%	0.297	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	145.1	-178.7	62.6	0	0	0	0	110.6	Q36 I40 W62 D63 L77	Q36-V38 PolarHBondContact O-N 3.27Å; Q36-V38 VanDerWaalsContact O-N 3.08Å; V38-I40 HydrophobicContact CG2-CG1 4.44Å; V38-W62 HydrophobicContact CG2-CB 3.94Å; V38-W62 HydrophobicContact CG2-CD2 4.33Å; V38-W62 HydrophobicContact CG2-CE3 3.9Å; V38-W62 HydrophobicContact CG2-CG 4.41Å; V38-D63 WeakPolarHBondContact CA-O 3.41Å; V38-L77 HydrophobicContact CB-CD2 3.91Å; V38-L77 HydrophobicContact CG1-CD2 3.75Å; V38-L77 HydrophobicContact CG2-CD2 4.27Å
39	R	96	Very high	89.7	Confident	64 Å²	64	79.3 Å²	79.3	24%	0.242	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131	168.8	177	176.1	64.7	137	10.8	108.5	T17 N21 T35 L41 W62 D63	T17-R39 PolarHBondContact O-NH2 3Å; N21-R39 PolarHBondContact OD1-NH1 2.93Å; N21-R39 PolarHBondContact OD1-NH2 2.92Å; T35-R39 HydrophobicContact CG2-CB 4.22Å; R39-L41 HydrophobicContact CG-CD2 4.46Å; R39-W62 CarbonylContact O-C 3.58Å; R39-D63 HydrophobicContact CB-CB 4.28Å; R39-D63 IonicContact CZ-OD2 3.2Å; R39-D63 PolarHBondContact N-O 3.08Å; R39-D63 IonicContact NE-OD2 3.72Å; R39-D63 PolarHBondContact NE-OD2 3.04Å; R39-D63 IonicContact NH2-OD2 3.77Å; R39-D63 PolarHBondContact NH2-OD2 3.08Å; R39-D63 PolarHBondContact O-N 3.4Å
40	I	97.5	Very high	89.9	Confident	78 Å²	78	75.5 Å²	75.5	40%	0.4	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.6	-178.5	-56.6	172.9	0	0	0	108.3	V38 E60 L61 W62	V38-I40 HydrophobicContact CG2-CG1 4.44Å; I40-E60 HydrophobicContact CG2-CB 4.17Å; I40-E60 HydrophobicContact CG2-CG 4.36Å; I40-L61 WeakPolarHBondContact CA-O 3.45Å; I40-W62 HydrophobicContact CD1-CD2 4.12Å; I40-W62 HydrophobicContact CD1-CH2 4.13Å; I40-W62 HydrophobicContact CD1-CZ2 3.71Å; I40-W62 HydrophobicContact CG1-CD2 4.01Å; I40-W62 HydrophobicContact CG1-CG 4.15Å; I40-W62 HydrophobicContact CG1-CZ2 4.47Å
41	L	97.6	Very high	89.6	Confident	25 Å²	25	74.2 Å²	74.2	13%	0.131	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.3	173.8	-58.3	173.4	0	0	0	108.2	A20 T24 R39 E60 L61	A20-L41 HydrophobicContact CB-CD1 3.88Å; T24-L41 HydrophobicContact CG2-CB 4.24Å; T24-L41 HydrophobicContact CG2-CD1 4.29Å; R39-L41 HydrophobicContact CG-CD2 4.46Å; L41-E60 WeakPolarHBondContact O-CA 3.49Å; L41-L61 HydrophobicContact CB-CB 4.38Å; L41-L61 PolarHBondContact N-O 2.75Å; L41-L61 PolarHBondContact O-N 2.87Å
42	E	97.2	Very high	88.8	Confident	123 Å²	123	71.6 Å²	71.6	58%	0.575	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	132	173.8	-63.2	-171.4	148.7	0	0	109.4	K3 F59 E60	K3-E42 IonicContact NZ-OE1 2.69Å; K3-E42 PolarHBondContact NZ-OE1 2.83Å; E42-F59 WeakPolarHBondContact CA-O 3.36Å; E42-E60 HydrophobicContact CG-CG 4.28Å
43	F	95.8	Very high	87.4	Confident	20 Å²	20	75.1 Å²	75.1	9%	0.088	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	158.3	178.4	71.9	-75.7	0	0	0	111.9	T24 N45 F59 L61 F161 L165	T24-F43 HydrophobicContact CG2-CB 4.46Å; T24-F43 HydrophobicContact CG2-CD1 3.49Å; T24-F43 VanDerWaalsContact CG2-CD1 3.49Å; T24-F43 HydrophobicContact CG2-CD2 4.47Å; T24-F43 HydrophobicContact CG2-CE1 3.74Å; T24-F43 HydrophobicContact CG2-CG 3.9Å; T24-F43 HydrophobicContact CG2-CZ 4.34Å; F43-N45 HydrophobicContact CE2-CB 4.36Å; F43-F59 HydrophobicContact CD1-CB 3.74Å; F43-F59 HydrophobicContact CD2-CB 4.37Å; F43-F59 HydrophobicContact CD2-CD2 4.42Å; F43-F59 HydrophobicContact CE1-CB 3.25Å; F43-F59 HydrophobicContact CE1-CG 4.19Å; F43-F59 HydrophobicContact CE2-CB 3.97Å; F43-F59 AromaticContact CE2-CD2 3.99Å; F43-F59 HydrophobicContact CE2-CD2 3.99Å; F43-F59 HydrophobicContact CE2-CG 4.12Å; F43-F59 HydrophobicContact CG-CB 4.27Å; F43-F59 HydrophobicContact CZ-CB 3.38Å; F43-F59 HydrophobicContact CZ-CD2 4.17Å; F43-F59 AromaticContact CZ-CG 3.81Å; F43-F59 HydrophobicContact CZ-CG 3.81Å; F43-F59 PolarHBondContact N-O 2.94Å; F43-F59 PolarHBondContact O-N 3.38Å; F43-L61 HydrophobicContact CE1-CB 4.02Å; F43-F161 HydrophobicContact CE2-CE1 4.41Å; F43-F161 AromaticContact CZ-CE1 3.97Å; F43-F161 HydrophobicContact CZ-CE1 3.97Å; F43-F161 HydrophobicContact CZ-CZ 4.31Å; F43-L165 HydrophobicContact CE2-CD1 3.95Å; F43-L165 HydrophobicContact CZ-CD1 4.11Å
44	E	93.8	Very high	86	Confident	127 Å²	127	75 Å²	75	59%	0.593	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	149	166.3	-64.2	-173.4	174.4	0	0	108.7	M1	M1-E44 WeakPolarHBondContact CE-OE1 3.37Å
45	N	90.1	Very high	84.8	Confident	24 Å²	24	75.5 Å²	75.5	13%	0.128	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112	172.1	-166.9	-60.7	0	0	0	109.7	F43 H47 V48 F59 L165	F43-N45 HydrophobicContact CE2-CB 4.36Å; N45-H47 PolarHBondContact O-N 3.42Å; N45-H47 VanDerWaalsContact O-N 3.08Å; N45-H47 WeakPolarHBondContact OD1-CB 3.4Å; N45-H47 PolarHBondContact OD1-N 3.06Å; N45-V48 HydrophobicContact CB-CB 4.38Å; N45-V48 HydrophobicContact CB-CG2 4Å; N45-V48 PolarHBondContact O-N 3.34Å; N45-F59 HydrophobicContact CB-CE2 4.33Å; N45-L165 HydrophobicContact CB-CD1 4.28Å
46	P	88.3	Confident	84.1	Confident	112 Å²	112	75.8 Å²	75.8	73%	0.727	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	-17	-174.3	27.4	-35.2	0	0	0	113	V48	P46-V48 VanDerWaalsContact C-N 3.31Å
47	H	89.1	Confident	84	Confident	122 Å²	122	70.5 Å²	70.5	57%	0.565	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	-3.3	176.7	-55.7	-65.4	0	0	0	113.3	N45 I162 K166	N45-H47 PolarHBondContact O-N 3.42Å; N45-H47 VanDerWaalsContact O-N 3.08Å; N45-H47 WeakPolarHBondContact OD1-CB 3.4Å; N45-H47 PolarHBondContact OD1-N 3.06Å; H47-I162 HydrophobicContact CB-CD1 4.38Å; H47-I162 HydrophobicContact CB-CG2 4.12Å; H47-K166 WeakPolarHBondContact O-CE 3.47Å; H47-K166 PolarHBondContact O-NZ 2.93Å
48	V	89.4	Confident	84.1	Confident	3 Å²	3	71.9 Å²	71.9	2%	0.018	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	108.2	179.1	-170.5	0	0	0	0	109.4	N45 P46 F59 I162 L165 K166 I169	N45-V48 HydrophobicContact CB-CB 4.38Å; N45-V48 HydrophobicContact CB-CG2 4Å; N45-V48 PolarHBondContact O-N 3.34Å; P46-V48 VanDerWaalsContact C-N 3.31Å; V48-F59 HydrophobicContact CB-CE2 4.28Å; V48-F59 HydrophobicContact CB-CZ 4.11Å; V48-F59 HydrophobicContact CG1-CE2 4.37Å; V48-F59 HydrophobicContact CG1-CZ 3.73Å; V48-I162 HydrophobicContact CG2-CG2 4.07Å; V48-L165 HydrophobicContact CG1-CB 4.21Å; V48-L165 HydrophobicContact CG2-CB 3.8Å; V48-L165 HydrophobicContact CG2-CD1 4.13Å; V48-K166 HydrophobicContact CB-CG 4.49Å; V48-K166 HydrophobicContact CG1-CG 3.98Å; V48-K166 HydrophobicContact CG2-CG 4.2Å; V48-I169 HydrophobicContact CG1-CB 4.47Å; V48-I169 HydrophobicContact CG1-CG1 3.88Å
49	T	82.3	Confident	84.1	Confident	97 Å²	97	69.5 Å²	69.5	60%	0.595	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	150.3	178.3	55.3	0	0	0	0	110.4
50	S	76.2	Confident	84.2	Confident	6 Å²	6	68.3 Å²	68.3	4%	0.042	38%	0.379	C	S	.	.			trans	-73	149.2	167.9	-178.7	0	0	0	0	109.9	L2 N52 C57	L2-S50 WeakPolarHBondContact CD1-OG 3.47Å; S50-N52 CarbonylContact O-C 3.58Å; S50-N52 PolarHBondContact O-N 3.16Å; S50-N52 VanDerWaalsContact O-N 3.1Å; S50-N52 PolarHBondContact OG-N 2.89Å; S50-C57 PolarHBondContact N-SG 3.19Å
51	N	68.4	Low	84.3	Confident	115 Å²	115	64.6 Å²	64.6	62%	0.615	36%	0.36	S	S	*	.	S	Bend	trans	-57.9	-21.9	172.6	-66.9	-31.3	0	0	0	112.3	K53 N170	N51-K53 PolarHBondContact O-N 3.28Å; N51-N170 PolarHBondContact ND2-OD1 3.01Å; N51-N170 VanDerWaalsContact ND2-OD1 3.08Å
52	N	64.1	Low	84.3	Confident	101 Å²	101	65.3 Å²	65.3	54%	0.54	36%	0.361	S	S	.	.	S	Bend	trans	-76.9	87.8	167.3	-80.8	-26	0	0	0	110.6	S50 G54 T55	S50-N52 CarbonylContact O-C 3.58Å; S50-N52 PolarHBondContact O-N 3.16Å; S50-N52 VanDerWaalsContact O-N 3.1Å; S50-N52 PolarHBondContact OG-N 2.89Å; N52-G54 PolarHBondContact O-N 2.91Å; N52-T55 PolarHBondContact O-N 3.4Å; N52-T55 PolarHBondContact O-OG1 3.49Å
53	K	55	Low	84.3	Confident	211 Å²	211	59.4 Å²	59.4	92%	0.917	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33.2	104.1	179.4	-65.1	-179.3	179	178.4	0	112.7	N51	N51-K53 PolarHBondContact O-N 3.28Å
54	G	57.7	Low	84.4	Confident	82 Å²	82	58.5 Å²	58.5	85%	0.845	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.8	-4.1	166	0	0	0	0	0	116.7	N52	N52-G54 PolarHBondContact O-N 2.91Å
55	T	67.2	Low	84.5	Confident	67 Å²	67	52.6 Å²	52.6	41%	0.411	30%	0.302	S	S	.	.			trans	-93.9	120.8	170.4	38.2	0	0	0	0	110.9	N52	N52-T55 PolarHBondContact O-N 3.4Å; N52-T55 PolarHBondContact O-OG1 3.49Å
56	G	77.6	Confident	84.7	Confident	34 Å²	34	52 Å²	52	35%	0.351	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	155.9	170.9	0	0	0	0	0	111.7	M1	M1-G56 WeakPolarHBondContact CG-O 3.47Å
57	C	91	Very high	85	Confident	3 Å²	3	50 Å²	50	2%	0.02	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.2	172.8	-61.1	0	0	0	0	108.7	L2 S50 F59 I169	L2-C57 WeakPolarHBondContact O-CA 3.33Å; S50-C57 PolarHBondContact N-SG 3.19Å; C57-F59 HydrophobicContact CB-CE2 3.75Å; C57-F59 HydrophobicContact CB-CZ 3.79Å; C57-I169 HydrophobicContact CB-CD1 3.94Å; C57-I169 HydrophobicContact CB-CG1 4.26Å
58	E	95.2	Very high	85	Confident	46 Å²	46	46.8 Å²	46.8	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	143.8	173.9	-170.1	-174.7	161.3	0	0	108.7	L2 K3 A4	L2-E58 PolarHBondContact O-N 2.68Å; K3-E58 CarbonylContact C-O 3.59Å; K3-E58 VanDerWaalsContact CA-O 3.27Å; K3-E58 WeakPolarHBondContact CA-O 3.47Å; K3-E58 HydrophobicContact CB-CB 4.38Å; K3-E58 HydrophobicContact CD-CG 4.32Å; K3-E58 WeakPolarHBondContact CE-OE1 3.46Å; K3-E58 HydrophobicContact CG-CB 4.17Å; K3-E58 HydrophobicContact CG-CG 4.27Å; K3-E58 IonicContact NZ-OE1 2.98Å; K3-E58 PolarHBondContact NZ-OE1 3.2Å; A4-E58 PolarHBondContact N-O 3.35Å
59	F	97.2	Very high	85.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.2	-179.9	-61	-86.2	0	0	0	110.2	A4 I6 E42 F43 N45 V48 C57 L165 I169	A4-F59 HydrophobicContact CB-CD1 3.73Å; A4-F59 HydrophobicContact CB-CE1 3.92Å; A4-F59 CarbonylContact O-C 3.57Å; A4-F59 WeakPolarHBondContact O-CA 3.36Å; I6-F59 HydrophobicContact CD1-CD1 3.86Å; E42-F59 WeakPolarHBondContact CA-O 3.36Å; F43-F59 HydrophobicContact CD1-CB 3.74Å; F43-F59 HydrophobicContact CD2-CB 4.37Å; F43-F59 HydrophobicContact CD2-CD2 4.42Å; F43-F59 HydrophobicContact CE1-CB 3.25Å; F43-F59 HydrophobicContact CE1-CG 4.19Å; F43-F59 HydrophobicContact CE2-CB 3.97Å; F43-F59 AromaticContact CE2-CD2 3.99Å; F43-F59 HydrophobicContact CE2-CD2 3.99Å; F43-F59 HydrophobicContact CE2-CG 4.12Å; F43-F59 HydrophobicContact CG-CB 4.27Å; F43-F59 HydrophobicContact CZ-CB 3.38Å; F43-F59 HydrophobicContact CZ-CD2 4.17Å; F43-F59 AromaticContact CZ-CG 3.81Å; F43-F59 HydrophobicContact CZ-CG 3.81Å; F43-F59 PolarHBondContact N-O 2.94Å; F43-F59 PolarHBondContact O-N 3.38Å; N45-F59 HydrophobicContact CB-CE2 4.33Å; V48-F59 HydrophobicContact CB-CE2 4.28Å; V48-F59 HydrophobicContact CB-CZ 4.11Å; V48-F59 HydrophobicContact CG1-CE2 4.37Å; V48-F59 HydrophobicContact CG1-CZ 3.73Å; C57-F59 HydrophobicContact CB-CE2 3.75Å; C57-F59 HydrophobicContact CB-CZ 3.79Å; F59-L165 HydrophobicContact CD1-CD2 3.78Å; F59-L165 HydrophobicContact CE1-CB 3.99Å; F59-L165 HydrophobicContact CE1-CD1 4.34Å; F59-L165 HydrophobicContact CE1-CD2 3.77Å; F59-L165 HydrophobicContact CE1-CG 4.25Å; F59-L165 HydrophobicContact CE2-CD1 4.32Å; F59-L165 HydrophobicContact CG-CD2 4.48Å; F59-L165 HydrophobicContact CZ-CB 4.06Å; F59-L165 HydrophobicContact CZ-CD1 4.24Å; F59-L165 HydrophobicContact CZ-CD2 4.46Å; F59-L165 HydrophobicContact CZ-CG 4.49Å; F59-I169 HydrophobicContact CE1-CD1 3.82Å; F59-I169 HydrophobicContact CE1-CG1 3.9Å; F59-I169 HydrophobicContact CZ-CD1 3.93Å; F59-I169 HydrophobicContact CZ-CG1 3.78Å
60	E	98.3	Very high	85.7	Confident	38 Å²	38	49.3 Å²	49.3	18%	0.178	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	114.2	163.9	-63.9	-176.9	167.2	0	0	108.8	K3 A4 I6 I40 L41 E42 W62	K3-E60 WeakPolarHBondContact CE-OE1 3.43Å; K3-E60 IonicContact NZ-OE1 2.82Å; K3-E60 PolarHBondContact NZ-OE1 3.21Å; A4-E60 PolarHBondContact O-N 3.34Å; I6-E60 PolarHBondContact N-O 3.44Å; I40-E60 HydrophobicContact CG2-CB 4.17Å; I40-E60 HydrophobicContact CG2-CG 4.36Å; L41-E60 WeakPolarHBondContact O-CA 3.49Å; E42-E60 HydrophobicContact CG-CG 4.28Å; E60-W62 PolarHBondContact OE2-NE1 3Å
61	L	98.5	Very high	86.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.1	168.1	-167.6	164.5	0	0	0	108.8	I6 F8 A20 T24 I40 L41 F43 D63 F161	I6-L61 WeakPolarHBondContact O-CA 3.41Å; F8-L61 HydrophobicContact CB-CD2 4.07Å; F8-L61 HydrophobicContact CD1-CD1 4.05Å; F8-L61 HydrophobicContact CD1-CD2 3.93Å; F8-L61 HydrophobicContact CD1-CG 3.86Å; F8-L61 HydrophobicContact CD2-CD1 4.47Å; F8-L61 HydrophobicContact CD2-CD2 4.2Å; F8-L61 HydrophobicContact CE1-CD1 3.74Å; F8-L61 HydrophobicContact CE1-CD2 4.46Å; F8-L61 HydrophobicContact CE1-CG 4.03Å; F8-L61 HydrophobicContact CE2-CD1 4.19Å; F8-L61 HydrophobicContact CG-CD1 4.43Å; F8-L61 HydrophobicContact CG-CD2 3.8Å; F8-L61 HydrophobicContact CG-CG 4.24Å; F8-L61 HydrophobicContact CZ-CD1 3.83Å; A20-L61 HydrophobicContact CB-CD1 4.08Å; A20-L61 HydrophobicContact CB-CD2 3.63Å; T24-L61 HydrophobicContact CG2-CB 4.23Å; T24-L61 HydrophobicContact CG2-CD1 3.8Å; I40-L61 WeakPolarHBondContact CA-O 3.45Å; L41-L61 HydrophobicContact CB-CB 4.38Å; L41-L61 PolarHBondContact N-O 2.75Å; L41-L61 PolarHBondContact O-N 2.87Å; F43-L61 HydrophobicContact CE1-CB 4.02Å; L61-D63 HydrophobicContact CD2-CB 4.06Å; L61-D63 PolarHBondContact O-N 2.97Å; L61-F161 HydrophobicContact CD1-CZ 4.33Å
62	W	98.4	Very high	87.6	Confident	40 Å²	40	53 Å²	53	15%	0.152	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	93.5	176.6	-71.1	47.6	0	0	0	109	K5 I6 L7 F8 V38 R39 I40 E60 C64 L77	K5-W62 HydrophobicContact CD-CD2 4.27Å; K5-W62 HydrophobicContact CD-CZ2 3.99Å; K5-W62 VanDerWaalsContact CE-CE2 3.47Å; K5-W62 HydrophobicContact CG-CD2 4.48Å; K5-W62 HydrophobicContact CG-CG 4.35Å; I6-W62 PolarHBondContact O-N 3.07Å; L7-W62 HydrophobicContact CD2-CB 3.54Å; L7-W62 HydrophobicContact CD2-CD2 4.23Å; L7-W62 HydrophobicContact CD2-CE3 4.31Å; L7-W62 HydrophobicContact CD2-CG 3.91Å; F8-W62 PolarHBondContact N-O 3.16Å; V38-W62 HydrophobicContact CG2-CB 3.94Å; V38-W62 HydrophobicContact CG2-CD2 4.33Å; V38-W62 HydrophobicContact CG2-CE3 3.9Å; V38-W62 HydrophobicContact CG2-CG 4.41Å; R39-W62 CarbonylContact O-C 3.58Å; I40-W62 HydrophobicContact CD1-CD2 4.12Å; I40-W62 HydrophobicContact CD1-CH2 4.13Å; I40-W62 HydrophobicContact CD1-CZ2 3.71Å; I40-W62 HydrophobicContact CG1-CD2 4.01Å; I40-W62 HydrophobicContact CG1-CG 4.15Å; I40-W62 HydrophobicContact CG1-CZ2 4.47Å; E60-W62 PolarHBondContact OE2-NE1 3Å; W62-C64 PolarHBondContact O-N 3.15Å; W62-C64 PolarHBondContact O-SG 2.94Å; W62-L77 HydrophobicContact CE3-CD2 3.9Å; W62-L77 HydrophobicContact CZ3-CD2 3.79Å
63	D	97.8	Very high	88.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	100.2	174.2	175.2	19.5	0	0	0	109.2	T17 A20 T35 V38 R39 L61	T17-D63 WeakPolarHBondContact CA-OD2 3.47Å; T17-D63 WeakPolarHBondContact CB-OD2 3.43Å; T17-D63 PolarHBondContact OG1-OD1 3.39Å; T17-D63 PolarHBondContact OG1-OD2 3.1Å; A20-D63 HydrophobicContact CB-CB 4.31Å; T35-D63 WeakPolarHBondContact CG2-O 3.45Å; V38-D63 WeakPolarHBondContact CA-O 3.41Å; R39-D63 HydrophobicContact CB-CB 4.28Å; R39-D63 IonicContact CZ-OD2 3.2Å; R39-D63 PolarHBondContact N-O 3.08Å; R39-D63 IonicContact NE-OD2 3.72Å; R39-D63 PolarHBondContact NE-OD2 3.04Å; R39-D63 IonicContact NH2-OD2 3.77Å; R39-D63 PolarHBondContact NH2-OD2 3.08Å; R39-D63 PolarHBondContact O-N 3.4Å; L61-D63 HydrophobicContact CD2-CB 4.06Å; L61-D63 PolarHBondContact O-N 2.97Å
64	C	97.4	Very high	90.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	140	-173.1	-57.6	0	0	0	0	111.5	F8 V9 K16 W62 G66 L77	F8-C64 WeakPolarHBondContact O-CB 3.22Å; F8-C64 PolarHBondContact O-N 3.15Å; V9-C64 HydrophobicContact CG1-CB 4.22Å; K16-C64 WeakPolarHBondContact CE-O 3.47Å; W62-C64 PolarHBondContact O-N 3.15Å; W62-C64 PolarHBondContact O-SG 2.94Å; C64-G66 PolarHBondContact O-N 3.03Å; C64-L77 HydrophobicContact CB-CD1 4.35Å
65	G	96.3	Very high	92.5	Very high	2 Å²	2	42 Å²	42	2%	0.021	25%	0.246	C	C	.	.			trans	-63.5	131.5	171.4	0	0	0	0	0	111.7	T35 G37 N67	T35-G65 WeakPolarHBondContact O-CA 3.38Å; G37-G65 PolarHBondContact O-N 3.2Å; G65-N67 VanDerWaalsContact C-N 3.28Å; G65-N67 PolarHBondContact O-N 3.21Å
66	G	94.6	Very high	93.8	Very high	12 Å²	12	42.1 Å²	42.1	12%	0.124	25%	0.254	C	S	.	.			trans	-81.6	2.7	-179.1	0	0	0	0	0	115.4	G10 C12 C64	G10-G66 WeakPolarHBondContact O-CA 3.43Å; C12-G66 VanDerWaalsContact SG-C 3.51Å; C64-G66 PolarHBondContact O-N 3.03Å
67	N	93.1	Very high	94.7	Very high	69 Å²	69	41.1 Å²	41.1	37%	0.369	24%	0.24	S	C	.	.			trans	-87.4	128.7	-175.9	-169.5	-50.4	0	0	0	110.5	C12 G65 K69 F70	C12-N67 PolarHBondContact SG-N 3.5Å; G65-N67 VanDerWaalsContact C-N 3.28Å; G65-N67 PolarHBondContact O-N 3.21Å; N67-K69 HydrophobicContact CB-CG 4.17Å; N67-K69 PolarHBondContact O-N 2.85Å; N67-K69 WeakPolarHBondContact OD1-CB 3.28Å; N67-K69 VanDerWaalsContact OD1-CG 3.3Å; N67-K69 WeakPolarHBondContact OD1-CG 3.41Å; N67-K69 PolarHBondContact OD1-N 3Å; N67-F70 HydrophobicContact CB-CD2 4.12Å; N67-F70 HydrophobicContact CB-CE2 4.27Å; N67-F70 PolarHBondContact O-N 2.75Å
68	A	88.9	Confident	94.9	Very high	55 Å²	55	41.3 Å²	41.3	46%	0.455	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-52.2	-24.5	177.9	0	0	0	0	0	114.2	F70 E71	A68-F70 PolarHBondContact O-N 3.22Å; A68-E71 HydrophobicContact CB-CG 4.44Å; A68-E71 WeakPolarHBondContact CB-OE1 3.45Å; A68-E71 VanDerWaalsContact O-CB 3.22Å; A68-E71 WeakPolarHBondContact O-CB 3.47Å; A68-E71 WeakPolarHBondContact O-CG 3.2Å; A68-E71 PolarHBondContact O-N 3.03Å
69	K	93.8	Very high	94.8	Very high	121 Å²	121	45.6 Å²	45.6	53%	0.526	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-58.2	-17.7	175.1	79.5	-175.5	-173.8	173.2	0	114	N67	N67-K69 HydrophobicContact CB-CG 4.17Å; N67-K69 PolarHBondContact O-N 2.85Å; N67-K69 WeakPolarHBondContact OD1-CB 3.28Å; N67-K69 VanDerWaalsContact OD1-CG 3.3Å; N67-K69 WeakPolarHBondContact OD1-CG 3.41Å; N67-K69 PolarHBondContact OD1-N 3Å
70	F	92.3	Very high	94.7	Very high	33 Å²	33	51.1 Å²	51.1	15%	0.145	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-98	4.5	177.7	-59	-60.2	0	0	0	113.9	Q36 G37 N67 A68 S72 C73 W74	Q36-F70 HydrophobicContact CB-CZ 4.12Å; G37-F70 VanDerWaalsContact N-CE2 3.3Å; N67-F70 HydrophobicContact CB-CD2 4.12Å; N67-F70 HydrophobicContact CB-CE2 4.27Å; N67-F70 PolarHBondContact O-N 2.75Å; A68-F70 PolarHBondContact O-N 3.22Å; F70-S72 PolarHBondContact O-N 3.27Å; F70-C73 WeakPolarHBondContact O-CB 3.13Å; F70-C73 PolarHBondContact O-N 3.08Å; F70-W74 VanDerWaalsContact O-CD1 3.28Å
71	E	92.2	Very high	94.6	Very high	94 Å²	94	50 Å²	50	44%	0.439	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-53.3	-38.8	-179.6	-83.8	173.9	-160.9	0	0	113.3	A68 C73 W74	A68-E71 HydrophobicContact CB-CG 4.44Å; A68-E71 WeakPolarHBondContact CB-OE1 3.45Å; A68-E71 VanDerWaalsContact O-CB 3.22Å; A68-E71 WeakPolarHBondContact O-CB 3.47Å; A68-E71 WeakPolarHBondContact O-CG 3.2Å; A68-E71 PolarHBondContact O-N 3.03Å; E71-C73 PolarHBondContact O-N 3.38Å; E71-C73 VanDerWaalsContact O-N 3.08Å; E71-W74 HydrophobicContact CB-CD2 4.35Å; E71-W74 HydrophobicContact CB-CE3 4.48Å; E71-W74 HydrophobicContact CB-CZ2 4.48Å; E71-W74 HydrophobicContact CG-CD2 4.03Å; E71-W74 HydrophobicContact CG-CE3 3.97Å; E71-W74 HydrophobicContact CG-CH2 3.4Å; E71-W74 VanDerWaalsContact CG-CH2 3.4Å; E71-W74 HydrophobicContact CG-CZ2 3.44Å; E71-W74 VanDerWaalsContact CG-CZ2 3.44Å; E71-W74 HydrophobicContact CG-CZ3 3.67Å; E71-W74 WeakPolarHBondContact O-CB 3.38Å; E71-W74 PolarHBondContact O-N 2.8Å
72	S	92.8	Very high	94.6	Very high	105 Å²	105	52.6 Å²	52.6	73%	0.734	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-59.7	-23.1	177.9	59.4	0	0	0	0	113.5	F70	F70-S72 PolarHBondContact O-N 3.27Å
73	C	91.6	Very high	94.6	Very high	60 Å²	60	50.7 Å²	50.7	41%	0.405	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-91.2	-14.4	179.8	-59.9	0	0	0	0	112.8	F70 E71 P75 A76 L77	F70-C73 WeakPolarHBondContact O-CB 3.13Å; F70-C73 PolarHBondContact O-N 3.08Å; E71-C73 PolarHBondContact O-N 3.38Å; E71-C73 VanDerWaalsContact O-N 3.08Å; C73-P75 VanDerWaalsContact C-CD 3.48Å; C73-A76 WeakPolarHBondContact O-CB 3.39Å; C73-A76 PolarHBondContact O-N 3.21Å; C73-L77 PolarHBondContact O-N 2.87Å
74	W	94.7	Very high	94.6	Very high	18 Å²	18	50.7 Å²	50.7	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-55.4	-41.3	-175.2	-66.8	-4.2	0	0	0	114	F70 E71 A76 L77 M78 M101 W102 C105 F106	F70-W74 VanDerWaalsContact O-CD1 3.28Å; E71-W74 HydrophobicContact CB-CD2 4.35Å; E71-W74 HydrophobicContact CB-CE3 4.48Å; E71-W74 HydrophobicContact CB-CZ2 4.48Å; E71-W74 HydrophobicContact CG-CD2 4.03Å; E71-W74 HydrophobicContact CG-CE3 3.97Å; E71-W74 HydrophobicContact CG-CH2 3.4Å; E71-W74 VanDerWaalsContact CG-CH2 3.4Å; E71-W74 HydrophobicContact CG-CZ2 3.44Å; E71-W74 VanDerWaalsContact CG-CZ2 3.44Å; E71-W74 HydrophobicContact CG-CZ3 3.67Å; E71-W74 WeakPolarHBondContact O-CB 3.38Å; E71-W74 PolarHBondContact O-N 2.8Å; W74-A76 PolarHBondContact O-N 3.04Å; W74-L77 PolarHBondContact O-N 3.24Å; W74-M78 HydrophobicContact CB-CE 4.24Å; W74-M78 WeakPolarHBondContact O-CB 3.38Å; W74-M78 VanDerWaalsContact O-CG 3.28Å; W74-M78 WeakPolarHBondContact O-CG 3.15Å; W74-M78 PolarHBondContact O-N 2.98Å; W74-M101 HydrophobicContact CH2-CE 4.08Å; W74-M101 HydrophobicContact CH2-SD 3.69Å; W74-M101 HydrophobicContact CZ3-SD 3.91Å; W74-W102 AromaticContact CE2-CZ3 3.94Å; W74-W102 HydrophobicContact CH2-CE3 4.43Å; W74-W102 HydrophobicContact CH2-CH2 4.02Å; W74-W102 AromaticContact CH2-CZ3 3.95Å; W74-W102 HydrophobicContact CH2-CZ3 3.95Å; W74-W102 HydrophobicContact CZ2-CE3 4.39Å; W74-W102 AromaticContact CZ2-CH2 3.41Å; W74-W102 HydrophobicContact CZ2-CH2 3.41Å; W74-W102 VanDerWaalsContact CZ2-CH2 3.41Å; W74-W102 HydrophobicContact CZ2-CZ2 4.25Å; W74-W102 AromaticContact CZ2-CZ3 3.5Å; W74-W102 HydrophobicContact CZ2-CZ3 3.5Å; W74-C105 HydrophobicContact CE3-CB 4.09Å; W74-C105 HydrophobicContact CZ3-CB 4.02Å; W74-F106 HydrophobicContact CB-CE1 4.48Å; W74-F106 HydrophobicContact CB-CE2 4.44Å; W74-F106 HydrophobicContact CB-CZ 3.86Å; W74-F106 AromaticContact CD1-CZ 3.74Å; W74-F106 AromaticContact CD2-CE2 3.56Å; W74-F106 HydrophobicContact CD2-CE2 3.56Å; W74-F106 AromaticContact CD2-CZ 3.63Å; W74-F106 HydrophobicContact CD2-CZ 3.63Å; W74-F106 AromaticContact CE2-CE2 3.91Å; W74-F106 AromaticContact CE2-CZ 3.99Å; W74-F106 AromaticContact CE3-CE2 3.71Å; W74-F106 HydrophobicContact CE3-CE2 3.71Å; W74-F106 HydrophobicContact CE3-CZ 4.21Å; W74-F106 HydrophobicContact CG-CE1 4.47Å; W74-F106 AromaticContact CG-CE2 3.93Å; W74-F106 HydrophobicContact CG-CE2 3.93Å; W74-F106 AromaticContact CG-CZ 3.47Å; W74-F106 HydrophobicContact CG-CZ 3.47Å; W74-F106 VanDerWaalsContact CG-CZ 3.47Å; W74-F106 HydrophobicContact CH2-CE2 4.48Å; W74-F106 HydrophobicContact CZ2-CE2 4.37Å; W74-F106 HydrophobicContact CZ3-CE2 4.17Å
75	P	94.6	Very high	94.7	Very high	84 Å²	84	50.6 Å²	50.6	55%	0.545	29%	0.29	S	S	.	.	H	α-helix	trans	-55.7	-37.3	176.2	-27.6	36.8	0	0	0	113.6	C73 M78 K79	C73-P75 VanDerWaalsContact C-CD 3.48Å; P75-M78 HydrophobicContact CB-CE 4.44Å; P75-M78 HydrophobicContact CG-CE 4.37Å; P75-K79 PolarHBondContact O-N 3.43Å
76	A	94.1	Very high	94.8	Very high	70 Å²	70	50.6 Å²	50.6	58%	0.579	29%	0.289	S	S	*	.	H	α-helix	trans	-71.7	-35.6	176.5	0	0	0	0	0	112.2	C73 W74	C73-A76 WeakPolarHBondContact O-CB 3.39Å; C73-A76 PolarHBondContact O-N 3.21Å; W74-A76 PolarHBondContact O-N 3.04Å
77	L	95.6	Very high	94.9	Very high	13 Å²	13	50 Å²	50	7%	0.068	28%	0.283	C	S	.	.	H	α-helix	trans	-68.5	-42.4	175.9	-54.4	-176.8	0	0	0	111.4	K5 V38 W62 C64 C73 W74 K79	K5-L77 WeakPolarHBondContact CE-O 3.14Å; K5-L77 PolarHBondContact NZ-O 3.4Å; V38-L77 HydrophobicContact CB-CD2 3.91Å; V38-L77 HydrophobicContact CG1-CD2 3.75Å; V38-L77 HydrophobicContact CG2-CD2 4.27Å; W62-L77 HydrophobicContact CE3-CD2 3.9Å; W62-L77 HydrophobicContact CZ3-CD2 3.79Å; C64-L77 HydrophobicContact CB-CD1 4.35Å; C73-L77 PolarHBondContact O-N 2.87Å; W74-L77 PolarHBondContact O-N 3.24Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 2.98Å
78	M	95.3	Very high	95.1	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.034	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-30.5	-177.2	-71.5	-174.2	-63.7	0	0	113.9	W74 P75 D80 A81 F106 Q110	W74-M78 HydrophobicContact CB-CE 4.24Å; W74-M78 WeakPolarHBondContact O-CB 3.38Å; W74-M78 VanDerWaalsContact O-CG 3.28Å; W74-M78 WeakPolarHBondContact O-CG 3.15Å; W74-M78 PolarHBondContact O-N 2.98Å; P75-M78 HydrophobicContact CB-CE 4.44Å; P75-M78 HydrophobicContact CG-CE 4.37Å; M78-D80 PolarHBondContact O-N 2.92Å; M78-A81 VanDerWaalsContact O-CB 3.25Å; M78-A81 WeakPolarHBondContact O-CB 3.33Å; M78-A81 PolarHBondContact O-N 2.86Å; M78-A81 VanDerWaalsContact O-N 3.1Å; M78-F106 HydrophobicContact CG-CD1 3.43Å; M78-F106 VanDerWaalsContact CG-CD1 3.43Å; M78-F106 HydrophobicContact CG-CE1 3.63Å; M78-F106 HydrophobicContact CG-CG 4.2Å; M78-F106 HydrophobicContact SD-CD1 4Å; M78-F106 HydrophobicContact SD-CE1 4.35Å; M78-F106 HydrophobicContact SD-CG 4.2Å; M78-Q110 HydrophobicContact CB-CG 3.9Å; M78-Q110 HydrophobicContact CG-CG 4.25Å; M78-Q110 HydrophobicContact SD-CG 4.07Å
79	K	94.4	Very high	95.3	Very high	136 Å²	136	44.2 Å²	44.2	59%	0.591	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	129	-177.8	-171.9	-176.4	174.1	-174.3	0	111	K5 P75 L77 A81	K5-K79 PolarHBondContact NZ-O 3.43Å; P75-K79 PolarHBondContact O-N 3.43Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 2.98Å; K79-A81 PolarHBondContact O-N 2.86Å
80	D	93.8	Very high	95	Very high	115 Å²	115	38.8 Å²	38.8	62%	0.615	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	26.5	177.7	-48.9	-36.5	0	0	0	113.6	M78 H82	M78-D80 PolarHBondContact O-N 2.92Å; D80-H82 PolarHBondContact O-CE1 2.82Å; D80-H82 PolarHBondContact O-ND1 3.29Å
81	A	97.2	Very high	94.7	Very high	15 Å²	15	40.8 Å²	40.8	12%	0.124	24%	0.235	C	C	.	.			trans	-69.9	131.6	170.9	0	0	0	0	0	110.2	L7 M78 K79	L7-A81 HydrophobicContact CD1-CB 3.73Å; L7-A81 HydrophobicContact CG-CB 3.87Å; M78-A81 VanDerWaalsContact O-CB 3.25Å; M78-A81 WeakPolarHBondContact O-CB 3.33Å; M78-A81 PolarHBondContact O-N 2.86Å; M78-A81 VanDerWaalsContact O-N 3.1Å; K79-A81 PolarHBondContact O-N 2.86Å
82	H	97.8	Very high	94.5	Very high	54 Å²	54	38.2 Å²	38.2	25%	0.25	22%	0.224	C	C	.	.	S	Bend	trans	-94.6	-23	179.4	-60.3	86.2	0	0	0	111.9	K5 D80 Q116 I168 M172	K5-H82 PolarHBondContact N-ND1 3.02Å; K5-H82 WeakPolarHBondContact O-CB 3.27Å; K5-H82 PolarHBondContact O-N 2.9Å; D80-H82 PolarHBondContact O-CE1 2.82Å; D80-H82 PolarHBondContact O-ND1 3.29Å; H82-Q116 PolarHBondContact O-NE2 2.7Å; H82-I168 HydrophobicContact CB-CG2 3.79Å; H82-M172 HydrophobicContact CB-CG 4.47Å; H82-M172 HydrophobicContact CB-SD 4.01Å; H82-M172 VanDerWaalsContact CD2-CE 3.43Å; H82-M172 WeakPolarHBondContact CD2-CE 3.49Å; H82-M172 PolarHBondContact CD2-SD 2.9Å; H82-M172 WeakPolarHBondContact NE2-CE 3.12Å
83	G	98.3	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	156	175.6	0	0	0	0	0	113.1	K5 I6 L7 Q116 Y164	K5-G83 PolarHBondContact O-N 3.1Å; I6-G83 WeakPolarHBondContact CA-O 3.4Å; L7-G83 PolarHBondContact N-O 2.84Å; G83-Q116 CarbonylContact C-O 3.53Å; G83-Q116 WeakPolarHBondContact CA-O 3.36Å; G83-Y164 WeakPolarHBondContact CA-OH 3.28Å
84	V	98.6	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133	177.9	174.8	0	0	0	0	110.2	L7 V9 I86 F106 V107 L112 Q116 C117 M118 Y164	L7-V84 HydrophobicContact CB-CG2 4.26Å; L7-V84 HydrophobicContact CD1-CG2 4.3Å; V9-V84 HydrophobicContact CG2-CG1 3.66Å; V84-I86 HydrophobicContact CG1-CG1 3.98Å; V84-F106 HydrophobicContact CG1-CB 4.14Å; V84-F106 HydrophobicContact CG2-CB 4.29Å; V84-V107 HydrophobicContact CB-CG2 4.14Å; V84-V107 HydrophobicContact CG1-CG2 4.05Å; V84-L112 HydrophobicContact CB-CD1 4.25Å; V84-L112 HydrophobicContact CG2-CD1 3.44Å; V84-L112 VanDerWaalsContact CG2-CD1 3.44Å; V84-Q116 PolarHBondContact N-O 3.43Å; V84-C117 VanDerWaalsContact O-CA 3.28Å; V84-C117 WeakPolarHBondContact O-CA 3.39Å; V84-M118 PolarHBondContact O-N 3.48Å; V84-Y164 PolarHBondContact N-OH 3.42Å; V84-Y164 PolarHBondContact O-OH 2.99Å
85	V	98.7	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.7	169.4	-175	0	0	0	0	108.2	I6 L7 F8 V9 V87 M118 I120 F161 Y164	I6-V85 HydrophobicContact CG2-CG2 4.05Å; L7-V85 PolarHBondContact O-N 3.48Å; F8-V85 HydrophobicContact CD1-CB 3.71Å; F8-V85 HydrophobicContact CD1-CG1 4.38Å; F8-V85 HydrophobicContact CD1-CG2 4.03Å; F8-V85 HydrophobicContact CE1-CB 3.6Å; F8-V85 HydrophobicContact CE1-CG1 4Å; F8-V85 HydrophobicContact CE1-CG2 3.57Å; F8-V85 HydrophobicContact CG-CB 4.47Å; F8-V85 HydrophobicContact CZ-CB 4.28Å; F8-V85 HydrophobicContact CZ-CG1 4.18Å; F8-V85 HydrophobicContact CZ-CG2 4.39Å; V9-V85 PolarHBondContact N-O 3.21Å; V85-V87 HydrophobicContact CG1-CG2 3.96Å; V85-M118 CarbonylContact C-O 3.59Å; V85-M118 WeakPolarHBondContact CA-O 3.48Å; V85-M118 HydrophobicContact CG1-CB 4.43Å; V85-M118 HydrophobicContact CG2-CB 4.33Å; V85-I120 HydrophobicContact CG1-CD1 3.43Å; V85-I120 VanDerWaalsContact CG1-CD1 3.43Å; V85-I120 HydrophobicContact CG1-CG1 3.73Å; V85-F161 HydrophobicContact CG2-CE2 4.39Å; V85-Y164 HydrophobicContact CG2-CD1 4.38Å; V85-Y164 HydrophobicContact CG2-CE1 3.7Å
86	I	98.3	Very high	93.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	113	176	-50	176.8	0	0	0	108	V9 V84 W102 Y103 V107 M118 L119 I120	V9-I86 HydrophobicContact CG2-CB 4.4Å; V9-I86 HydrophobicContact CG2-CG1 3.9Å; V9-I86 CarbonylContact O-C 3.57Å; V9-I86 WeakPolarHBondContact O-CA 3.4Å; V84-I86 HydrophobicContact CG1-CG1 3.98Å; I86-W102 HydrophobicContact CD1-CB 4.45Å; I86-W102 HydrophobicContact CG2-CB 4Å; I86-Y103 HydrophobicContact CD1-CD2 4.38Å; I86-V107 HydrophobicContact CD1-CG2 4.33Å; I86-M118 PolarHBondContact N-O 3.32Å; I86-L119 HydrophobicContact CB-CD2 3.67Å; I86-L119 HydrophobicContact CD1-CD2 3.93Å; I86-L119 HydrophobicContact CG1-CD2 4.13Å; I86-L119 HydrophobicContact CG2-CD2 4.36Å; I86-L119 WeakPolarHBondContact O-CA 3.3Å; I86-I120 PolarHBondContact O-N 3.39Å
87	V	98.1	Very high	93.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.5	-177.2	-174.3	0	0	0	0	109.5	F8 V9 S14 K16 L19 V85 I120 H122	F8-V87 HydrophobicContact CD2-CG2 4.02Å; F8-V87 HydrophobicContact CE2-CG2 4.3Å; F8-V87 HydrophobicContact CG-CG2 4.48Å; V9-V87 PolarHBondContact O-N 3.23Å; S14-V87 WeakPolarHBondContact CB-O 3.44Å; S14-V87 WeakPolarHBondContact O-CG1 3.25Å; S14-V87 PolarHBondContact OG-O 3.16Å; K16-V87 HydrophobicContact CG-CB 3.64Å; K16-V87 HydrophobicContact CG-CG1 4.12Å; K16-V87 HydrophobicContact CG-CG2 3.93Å; L19-V87 HydrophobicContact CD1-CG1 3.58Å; L19-V87 HydrophobicContact CD1-CG2 4.47Å; V85-V87 HydrophobicContact CG1-CG2 3.96Å; V87-I120 WeakPolarHBondContact CA-O 3.47Å; V87-I120 HydrophobicContact CG1-CB 4.43Å; V87-I120 HydrophobicContact CG2-CB 4.3Å; V87-I120 HydrophobicContact CG2-CD1 4.37Å; V87-H122 HydrophobicContact CG1-CB 4.31Å
88	F	95.9	Very high	93	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.5	174.7	64.5	-78.7	0	0	0	110.4	A90 H95 R96 M99 I120 A121 H122 L134 L145	F88-A90 HydrophobicContact CE2-CB 4.4Å; F88-A90 PolarHBondContact O-N 3.11Å; F88-H95 HydrophobicContact CB-CB 3.94Å; F88-R96 HydrophobicContact CE2-CG 4.45Å; F88-M99 HydrophobicContact CB-CG 4.41Å; F88-M99 HydrophobicContact CB-SD 4.45Å; F88-M99 HydrophobicContact CD1-CG 4.15Å; F88-M99 HydrophobicContact CD1-SD 3.29Å; F88-M99 WeakPolarHBondContact CD1-SD 3.42Å; F88-M99 HydrophobicContact CD2-SD 4.06Å; F88-M99 HydrophobicContact CE1-SD 3.34Å; F88-M99 WeakPolarHBondContact CE1-SD 3.35Å; F88-M99 HydrophobicContact CE2-SD 4.09Å; F88-M99 HydrophobicContact CG-CG 4.24Å; F88-M99 HydrophobicContact CG-SD 3.67Å; F88-M99 HydrophobicContact CZ-SD 3.73Å; F88-I120 WeakPolarHBondContact CD1-O 3.45Å; F88-I120 PolarHBondContact N-O 3.07Å; F88-A121 HydrophobicContact CE1-CB 4.08Å; F88-A121 HydrophobicContact CE2-CB 3.87Å; F88-A121 HydrophobicContact CZ-CB 3.46Å; F88-A121 VanDerWaalsContact CZ-CB 3.46Å; F88-H122 PolarHBondContact O-N 2.9Å; F88-L134 HydrophobicContact CE1-CD2 4.44Å; F88-L134 HydrophobicContact CE2-CD2 3.86Å; F88-L134 HydrophobicContact CZ-CD2 3.38Å; F88-L145 HydrophobicContact CE1-CD1 4.12Å; F88-L145 HydrophobicContact CZ-CD1 4.08Å
89	N	93.1	Very high	92.8	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.011	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.4	167.7	-175	-36.2	0	0	0	109.3	D91 I92 H95 H122	N89-D91 VanDerWaalsContact C-N 3.27Å; N89-D91 PolarHBondContact O-N 3.03Å; N89-D91 WeakPolarHBondContact OD1-CA 3.17Å; N89-D91 VanDerWaalsContact OD1-CB 3.22Å; N89-D91 WeakPolarHBondContact OD1-CB 3.5Å; N89-D91 PolarHBondContact OD1-N 3.39Å; N89-D91 PolarHBondContact OD1-OD2 3.28Å; N89-I92 HydrophobicContact CB-CB 4.34Å; N89-I92 HydrophobicContact CB-CD1 3.98Å; N89-I92 HydrophobicContact CB-CG1 4.11Å; N89-I92 PolarHBondContact O-N 3Å; N89-H95 WeakPolarHBondContact CB-ND1 2.91Å; N89-H95 PolarHBondContact N-ND1 3.01Å; N89-H122 VanDerWaalsContact CA-O 3.31Å; N89-H122 WeakPolarHBondContact CA-O 3.49Å
90	A	87.3	Confident	92.7	Very high	7 Å²	7	44.2 Å²	44.2	6%	0.058	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.1	-176.2	0	0	0	0	0	113.9	F88 I92 R96 A121 H122 H123	F88-A90 HydrophobicContact CE2-CB 4.4Å; F88-A90 PolarHBondContact O-N 3.11Å; A90-I92 VanDerWaalsContact C-N 3.29Å; A90-R96 PolarHBondContact O-NH2 3.1Å; A90-A121 HydrophobicContact CB-CB 4.13Å; A90-H122 PolarHBondContact N-O 2.97Å; A90-H123 VanDerWaalsContact CB-CE1 3.41Å; A90-H123 WeakPolarHBondContact CB-CE1 3.38Å
91	D	86.2	Confident	92.8	Very high	75 Å²	75	41.9 Å²	41.9	40%	0.401	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.6	178.5	-53.5	-46.7	0	0	0	112.9	N89 P93 H123 S127	N89-D91 VanDerWaalsContact C-N 3.27Å; N89-D91 PolarHBondContact O-N 3.03Å; N89-D91 WeakPolarHBondContact OD1-CA 3.17Å; N89-D91 VanDerWaalsContact OD1-CB 3.22Å; N89-D91 WeakPolarHBondContact OD1-CB 3.5Å; N89-D91 PolarHBondContact OD1-N 3.39Å; N89-D91 PolarHBondContact OD1-OD2 3.28Å; D91-P93 WeakPolarHBondContact O-CD 3.45Å; D91-H123 IonicContact OD1-ND1 2.67Å; D91-S127 WeakPolarHBondContact OD2-CB 3.44Å
92	I	89.2	Confident	92.7	Very high	41 Å²	41	41.3 Å²	41.3	21%	0.21	21%	0.206	C	C	.	.			trans	-107.5	104.2	-176.6	-60.9	-179.9	0	0	0	109.5	N89 A90 S94 H95	N89-I92 HydrophobicContact CB-CB 4.34Å; N89-I92 HydrophobicContact CB-CD1 3.98Å; N89-I92 HydrophobicContact CB-CG1 4.11Å; N89-I92 PolarHBondContact O-N 3Å; A90-I92 VanDerWaalsContact C-N 3.29Å; I92-S94 VanDerWaalsContact C-N 3.28Å; I92-S94 VanDerWaalsContact CG2-OG 3.26Å; I92-S94 WeakPolarHBondContact CG2-OG 3.31Å; I92-S94 PolarHBondContact O-N 3.43Å; I92-H95 HydrophobicContact CB-CB 4.48Å; I92-H95 HydrophobicContact CG2-CB 4.43Å; I92-H95 WeakPolarHBondContact O-CB 3.22Å; I92-H95 PolarHBondContact O-N 3.31Å; I92-H95 VanDerWaalsContact O-N 3.14Å
93	P	87.9	Confident	92.7	Very high	96 Å²	96	40 Å²	40	62%	0.623	20%	0.199	S	C	*	.	H	α-helix	trans	-62.1	-30.4	-175.6	-26.1	35.5	0	0	0	114.6	D91 H95 R96	D91-P93 WeakPolarHBondContact O-CD 3.45Å; P93-H95 VanDerWaalsContact C-N 3.3Å; P93-H95 PolarHBondContact O-N 3.23Å; P93-R96 PolarHBondContact O-N 2.93Å
94	S	90.5	Very high	92.5	Very high	59 Å²	59	42.2 Å²	42.2	41%	0.413	22%	0.215	S	C	.	.	H	α-helix	trans	-64.7	-35	178	55.4	0	0	0	0	112	I92 R96 K97 E98	I92-S94 VanDerWaalsContact C-N 3.28Å; I92-S94 VanDerWaalsContact CG2-OG 3.26Å; I92-S94 WeakPolarHBondContact CG2-OG 3.31Å; I92-S94 PolarHBondContact O-N 3.43Å; S94-R96 PolarHBondContact O-N 2.99Å; S94-K97 WeakPolarHBondContact O-CB 3.21Å; S94-K97 PolarHBondContact O-N 2.95Å; S94-E98 PolarHBondContact O-N 3.01Å
95	H	92.6	Very high	92.4	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.06	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-35	178.7	-68.7	-178.8	0	0	0	112.4	P11 C12 F88 N89 I92 P93 K97 E98 M99	P11-H95 HydrophobicContact CB-CB 4.45Å; P11-H95 WeakPolarHBondContact CB-CD2 3.45Å; P11-H95 WeakPolarHBondContact CB-NE2 3.43Å; P11-H95 HydrophobicContact CG-CB 3.9Å; C12-H95 PolarHBondContact O-CE1 3.03Å; C12-H95 PolarHBondContact O-NE2 3.18Å; C12-H95 VanDerWaalsContact O-NE2 3.15Å; F88-H95 HydrophobicContact CB-CB 3.94Å; N89-H95 WeakPolarHBondContact CB-ND1 2.91Å; N89-H95 PolarHBondContact N-ND1 3.01Å; I92-H95 HydrophobicContact CB-CB 4.48Å; I92-H95 HydrophobicContact CG2-CB 4.43Å; I92-H95 WeakPolarHBondContact O-CB 3.22Å; I92-H95 PolarHBondContact O-N 3.31Å; I92-H95 VanDerWaalsContact O-N 3.14Å; P93-H95 VanDerWaalsContact C-N 3.3Å; P93-H95 PolarHBondContact O-N 3.23Å; H95-K97 VanDerWaalsContact C-N 3.27Å; H95-K97 PolarHBondContact O-N 2.98Å; H95-E98 IonicContact CD2-OE1 2.84Å; H95-E98 PolarHBondContact O-N 3.37Å; H95-E98 VanDerWaalsContact O-N 3.13Å; H95-M99 WeakPolarHBondContact O-CG 3.5Å; H95-M99 PolarHBondContact O-N 3.05Å; H95-M99 VanDerWaalsContact O-N 3.16Å
96	R	83.4	Confident	92.3	Very high	100 Å²	100	43.1 Å²	43.1	38%	0.377	22%	0.221	S	C	.	.	H	α-helix	trans	-60.9	-38	176.2	-61.9	-178.8	-173	-158.5	1.2	111.6	F88 A90 P93 S94 E98 M99 L134	F88-R96 HydrophobicContact CE2-CG 4.45Å; A90-R96 PolarHBondContact O-NH2 3.1Å; P93-R96 PolarHBondContact O-N 2.93Å; S94-R96 PolarHBondContact O-N 2.99Å; R96-E98 VanDerWaalsContact C-N 3.32Å; R96-M99 HydrophobicContact CB-CE 4.4Å; R96-M99 PolarHBondContact O-N 2.82Å; R96-L134 HydrophobicContact CG-CD1 4.21Å
97	K	84.6	Confident	92.2	Very high	173 Å²	173	43.1 Å²	43.1	75%	0.752	22%	0.221	S	C	*	.	H	α-helix	trans	-69.9	-31.9	176.9	-60.3	-177.3	179.5	-179.8	0	111.9	S94 H95	S94-K97 WeakPolarHBondContact O-CB 3.21Å; S94-K97 PolarHBondContact O-N 2.95Å; H95-K97 VanDerWaalsContact C-N 3.27Å; H95-K97 PolarHBondContact O-N 2.98Å
98	E	91.4	Very high	92	Very high	66 Å²	66	48.9 Å²	48.9	31%	0.308	25%	0.248	S	C	.	.	H	α-helix	trans	-76.6	-21.1	179.7	-67.3	173.2	-121	0	0	113	P11 S94 H95 R96 E100 M101 W102	P11-E98 WeakPolarHBondContact CB-OE2 3.4Å; P11-E98 HydrophobicContact CG-CB 3.9Å; P11-E98 WeakPolarHBondContact CG-OE2 3.36Å; S94-E98 PolarHBondContact O-N 3.01Å; H95-E98 IonicContact CD2-OE1 2.84Å; H95-E98 PolarHBondContact O-N 3.37Å; H95-E98 VanDerWaalsContact O-N 3.13Å; R96-E98 VanDerWaalsContact C-N 3.32Å; E98-E100 VanDerWaalsContact C-N 3.26Å; E98-E100 PolarHBondContact O-N 3.27Å; E98-M101 WeakPolarHBondContact O-CB 3.5Å; E98-M101 PolarHBondContact O-N 3Å; E98-W102 PolarHBondContact O-N 2.84Å; E98-W102 VanDerWaalsContact O-N 3.08Å
99	M	91.9	Very high	91.8	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.03	27%	0.274	C	S	.	.	H	α-helix	trans	-57.2	-37.7	-178.6	-64.2	-170.7	-51.1	0	0	113.3	F88 H95 R96 M101 W102 Y103 L136 L140	F88-M99 HydrophobicContact CB-CG 4.41Å; F88-M99 HydrophobicContact CB-SD 4.45Å; F88-M99 HydrophobicContact CD1-CG 4.15Å; F88-M99 HydrophobicContact CD1-SD 3.29Å; F88-M99 WeakPolarHBondContact CD1-SD 3.42Å; F88-M99 HydrophobicContact CD2-SD 4.06Å; F88-M99 HydrophobicContact CE1-SD 3.34Å; F88-M99 WeakPolarHBondContact CE1-SD 3.35Å; F88-M99 HydrophobicContact CE2-SD 4.09Å; F88-M99 HydrophobicContact CG-CG 4.24Å; F88-M99 HydrophobicContact CG-SD 3.67Å; F88-M99 HydrophobicContact CZ-SD 3.73Å; H95-M99 WeakPolarHBondContact O-CG 3.5Å; H95-M99 PolarHBondContact O-N 3.05Å; H95-M99 VanDerWaalsContact O-N 3.16Å; R96-M99 HydrophobicContact CB-CE 4.4Å; R96-M99 PolarHBondContact O-N 2.82Å; M99-M101 VanDerWaalsContact C-N 3.28Å; M99-M101 PolarHBondContact O-N 3.19Å; M99-W102 PolarHBondContact O-N 2.98Å; M99-Y103 WeakPolarHBondContact O-CB 3.34Å; M99-Y103 PolarHBondContact O-N 2.85Å; M99-L136 HydrophobicContact CE-CD2 3.41Å; M99-L136 VanDerWaalsContact CE-CD2 3.41Å; M99-L140 HydrophobicContact CB-CD1 3.99Å; M99-L140 HydrophobicContact CE-CD1 4.16Å
100	E	92.7	Very high	91.7	Very high	105 Å²	105	57.9 Å²	57.9	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-38.1	178.3	-67	-177.6	170.8	0	0	111.2	E98 S104 S137 L140	E98-E100 VanDerWaalsContact C-N 3.26Å; E98-E100 PolarHBondContact O-N 3.27Å; E100-S104 WeakPolarHBondContact O-CB 3.29Å; E100-S104 PolarHBondContact O-N 2.77Å; E100-S137 PolarHBondContact OE1-OG 2.84Å; E100-L140 HydrophobicContact CG-CD1 3.81Å
101	M	94.7	Very high	92	Very high	67 Å²	67	62.2 Å²	62.2	33%	0.33	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-48.5	173.9	177	-84.4	-78.4	0	0	111	W74 E98 M99 Y103 S104 C105	W74-M101 HydrophobicContact CH2-CE 4.08Å; W74-M101 HydrophobicContact CH2-SD 3.69Å; W74-M101 HydrophobicContact CZ3-SD 3.91Å; E98-M101 WeakPolarHBondContact O-CB 3.5Å; E98-M101 PolarHBondContact O-N 3Å; M99-M101 VanDerWaalsContact C-N 3.28Å; M99-M101 PolarHBondContact O-N 3.19Å; M101-Y103 VanDerWaalsContact C-N 3.32Å; M101-Y103 PolarHBondContact O-N 2.89Å; M101-S104 PolarHBondContact O-N 2.81Å; M101-C105 WeakPolarHBondContact O-CB 3.33Å; M101-C105 PolarHBondContact O-N 3.13Å; M101-C105 PolarHBondContact O-SG 3.38Å; M101-C105 VanDerWaalsContact O-SG 3.35Å
102	W	96.6	Very high	92.4	Very high	3 Å²	3	59.6 Å²	59.6	1%	0.011	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-41.2	178.7	-71.2	106.4	0	0	0	112.3	V9 G10 W74 I86 E98 M99 F106	V9-W102 HydrophobicContact CB-CE3 3.79Å; V9-W102 HydrophobicContact CB-CZ3 4.07Å; V9-W102 HydrophobicContact CG2-CE3 4.24Å; G10-W102 VanDerWaalsContact C-CZ2 3.43Å; G10-W102 VanDerWaalsContact CA-CE2 3.44Å; G10-W102 VanDerWaalsContact O-CZ2 3.31Å; G10-W102 WeakPolarHBondContact O-CZ2 3.4Å; W74-W102 AromaticContact CE2-CZ3 3.94Å; W74-W102 HydrophobicContact CH2-CE3 4.43Å; W74-W102 HydrophobicContact CH2-CH2 4.02Å; W74-W102 AromaticContact CH2-CZ3 3.95Å; W74-W102 HydrophobicContact CH2-CZ3 3.95Å; W74-W102 HydrophobicContact CZ2-CE3 4.39Å; W74-W102 AromaticContact CZ2-CH2 3.41Å; W74-W102 HydrophobicContact CZ2-CH2 3.41Å; W74-W102 VanDerWaalsContact CZ2-CH2 3.41Å; W74-W102 HydrophobicContact CZ2-CZ2 4.25Å; W74-W102 AromaticContact CZ2-CZ3 3.5Å; W74-W102 HydrophobicContact CZ2-CZ3 3.5Å; I86-W102 HydrophobicContact CD1-CB 4.45Å; I86-W102 HydrophobicContact CG2-CB 4Å; E98-W102 PolarHBondContact O-N 2.84Å; E98-W102 VanDerWaalsContact O-N 3.08Å; M99-W102 PolarHBondContact O-N 2.98Å; W102-F106 AromaticContact CE3-CD2 3.72Å; W102-F106 HydrophobicContact CE3-CD2 3.72Å; W102-F106 AromaticContact CE3-CE2 3.5Å; W102-F106 HydrophobicContact CE3-CE2 3.5Å; W102-F106 VanDerWaalsContact CE3-CE2 3.5Å; W102-F106 HydrophobicContact CE3-CZ 4.44Å; W102-F106 HydrophobicContact CZ3-CD2 4.16Å; W102-F106 AromaticContact CZ3-CE2 3.45Å; W102-F106 HydrophobicContact CZ3-CE2 3.45Å; W102-F106 VanDerWaalsContact CZ3-CE2 3.45Å; W102-F106 HydrophobicContact CZ3-CZ 4.06Å; W102-F106 WeakPolarHBondContact O-CB 3.4Å; W102-F106 PolarHBondContact O-N 3Å
103	Y	96.8	Very high	92.7	Very high	25 Å²	25	63.5 Å²	63.5	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-63.6	-47.8	174.4	178.2	-86.1	0	0	0	111.8	I86 M99 M101 C105 V107 Q108 P139 L140 L143	I86-Y103 HydrophobicContact CD1-CD2 4.38Å; M99-Y103 WeakPolarHBondContact O-CB 3.34Å; M99-Y103 PolarHBondContact O-N 2.85Å; M101-Y103 VanDerWaalsContact C-N 3.32Å; M101-Y103 PolarHBondContact O-N 2.89Å; Y103-C105 VanDerWaalsContact C-N 3.31Å; Y103-C105 PolarHBondContact O-N 3.19Å; Y103-V107 HydrophobicContact CD2-CB 3.81Å; Y103-V107 HydrophobicContact CD2-CG1 3.97Å; Y103-V107 HydrophobicContact CD2-CG2 3.98Å; Y103-V107 HydrophobicContact CE2-CB 3.88Å; Y103-V107 HydrophobicContact CE2-CG1 3.49Å; Y103-V107 VanDerWaalsContact CE2-CG1 3.49Å; Y103-V107 HydrophobicContact CE2-CG2 4.34Å; Y103-V107 HydrophobicContact CG-CB 4.24Å; Y103-V107 WeakPolarHBondContact O-CA 3.35Å; Y103-V107 VanDerWaalsContact O-CB 3.3Å; Y103-V107 WeakPolarHBondContact O-CB 3.49Å; Y103-V107 PolarHBondContact O-N 3.24Å; Y103-Q108 HydrophobicContact CD1-CB 4.48Å; Y103-Q108 HydrophobicContact CE1-CB 4.15Å; Y103-Q108 PolarHBondContact O-N 3.33Å; Y103-P139 HydrophobicContact CD1-CG 3.87Å; Y103-P139 HydrophobicContact CE1-CB 4.23Å; Y103-P139 HydrophobicContact CE1-CG 3.22Å; Y103-P139 HydrophobicContact CE2-CG 4.3Å; Y103-P139 VanDerWaalsContact CZ-CG 3.46Å; Y103-L140 HydrophobicContact CD2-CD2 3.78Å; Y103-L140 HydrophobicContact CG-CD2 3.9Å; Y103-L143 HydrophobicContact CD2-CD1 3.8Å; Y103-L143 HydrophobicContact CE2-CD1 3.82Å; Y103-L143 HydrophobicContact CE2-CD2 4.38Å; Y103-L143 HydrophobicContact CE2-CG 4.34Å
104	S	95.3	Very high	93.1	Very high	47 Å²	47	61.7 Å²	61.7	33%	0.329	31%	0.308	S	S	.	.	I	π-helix	trans	-58.3	-46.5	179.4	-171.1	0	0	0	0	111.1	E100 M101 Q109	E100-S104 WeakPolarHBondContact O-CB 3.29Å; E100-S104 PolarHBondContact O-N 2.77Å; M101-S104 PolarHBondContact O-N 2.81Å; S104-Q109 WeakPolarHBondContact O-CG 3.5Å; S104-Q109 PolarHBondContact O-N 3.48Å
105	C	94.6	Very high	93.3	Very high	20 Å²	20	62.9 Å²	62.9	14%	0.135	31%	0.313	C	S	.	.	I	π-helix	trans	-69.1	-53.9	-178.9	-66.6	0	0	0	0	112.4	W74 M101 Y103 Q109	W74-C105 HydrophobicContact CE3-CB 4.09Å; W74-C105 HydrophobicContact CZ3-CB 4.02Å; M101-C105 WeakPolarHBondContact O-CB 3.33Å; M101-C105 PolarHBondContact O-N 3.13Å; M101-C105 PolarHBondContact O-SG 3.38Å; M101-C105 VanDerWaalsContact O-SG 3.35Å; Y103-C105 VanDerWaalsContact C-N 3.31Å; Y103-C105 PolarHBondContact O-N 3.19Å; C105-Q109 WeakPolarHBondContact O-CB 3.48Å; C105-Q109 PolarHBondContact O-OE1 2.8Å
106	F	96.6	Very high	93.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.316	C	S	.	.	I	π-helix	trans	-94.5	-21.6	-167.3	-74.9	-95.7	0	0	0	115	L7 V9 W74 M78 V84 W102	L7-F106 HydrophobicContact CD1-CD1 3.75Å; L7-F106 HydrophobicContact CD1-CE1 4.12Å; V9-F106 HydrophobicContact CB-CD2 4.44Å; V9-F106 HydrophobicContact CB-CG 4.43Å; V9-F106 HydrophobicContact CG1-CD1 3.65Å; V9-F106 HydrophobicContact CG1-CD2 4.28Å; V9-F106 HydrophobicContact CG1-CE1 3.67Å; V9-F106 HydrophobicContact CG1-CE2 4.32Å; V9-F106 HydrophobicContact CG1-CG 3.95Å; V9-F106 HydrophobicContact CG1-CZ 4.01Å; V9-F106 HydrophobicContact CG2-CB 4.38Å; V9-F106 HydrophobicContact CG2-CD2 4.47Å; V9-F106 HydrophobicContact CG2-CG 4.28Å; W74-F106 HydrophobicContact CB-CE1 4.48Å; W74-F106 HydrophobicContact CB-CE2 4.44Å; W74-F106 HydrophobicContact CB-CZ 3.86Å; W74-F106 AromaticContact CD1-CZ 3.74Å; W74-F106 AromaticContact CD2-CE2 3.56Å; W74-F106 HydrophobicContact CD2-CE2 3.56Å; W74-F106 AromaticContact CD2-CZ 3.63Å; W74-F106 HydrophobicContact CD2-CZ 3.63Å; W74-F106 AromaticContact CE2-CE2 3.91Å; W74-F106 AromaticContact CE2-CZ 3.99Å; W74-F106 AromaticContact CE3-CE2 3.71Å; W74-F106 HydrophobicContact CE3-CE2 3.71Å; W74-F106 HydrophobicContact CE3-CZ 4.21Å; W74-F106 HydrophobicContact CG-CE1 4.47Å; W74-F106 AromaticContact CG-CE2 3.93Å; W74-F106 HydrophobicContact CG-CE2 3.93Å; W74-F106 AromaticContact CG-CZ 3.47Å; W74-F106 HydrophobicContact CG-CZ 3.47Å; W74-F106 VanDerWaalsContact CG-CZ 3.47Å; W74-F106 HydrophobicContact CH2-CE2 4.48Å; W74-F106 HydrophobicContact CZ2-CE2 4.37Å; W74-F106 HydrophobicContact CZ3-CE2 4.17Å; M78-F106 HydrophobicContact CG-CD1 3.43Å; M78-F106 VanDerWaalsContact CG-CD1 3.43Å; M78-F106 HydrophobicContact CG-CE1 3.63Å; M78-F106 HydrophobicContact CG-CG 4.2Å; M78-F106 HydrophobicContact SD-CD1 4Å; M78-F106 HydrophobicContact SD-CE1 4.35Å; M78-F106 HydrophobicContact SD-CG 4.2Å; V84-F106 HydrophobicContact CG1-CB 4.14Å; V84-F106 HydrophobicContact CG2-CB 4.29Å; W102-F106 AromaticContact CE3-CD2 3.72Å; W102-F106 HydrophobicContact CE3-CD2 3.72Å; W102-F106 AromaticContact CE3-CE2 3.5Å; W102-F106 HydrophobicContact CE3-CE2 3.5Å; W102-F106 VanDerWaalsContact CE3-CE2 3.5Å; W102-F106 HydrophobicContact CE3-CZ 4.44Å; W102-F106 HydrophobicContact CZ3-CD2 4.16Å; W102-F106 AromaticContact CZ3-CE2 3.45Å; W102-F106 HydrophobicContact CZ3-CE2 3.45Å; W102-F106 VanDerWaalsContact CZ3-CE2 3.45Å; W102-F106 HydrophobicContact CZ3-CZ 4.06Å; W102-F106 WeakPolarHBondContact O-CB 3.4Å; W102-F106 PolarHBondContact O-N 3Å
107	V	96.3	Very high	94.3	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	30%	0.299	C	S	.	.	I	π-helix	trans	-106.3	-57.5	-177.6	178.4	0	0	0	0	110.4	V84 I86 Y103 Q110 S111 L112 C117	V84-V107 HydrophobicContact CB-CG2 4.14Å; V84-V107 HydrophobicContact CG1-CG2 4.05Å; I86-V107 HydrophobicContact CD1-CG2 4.33Å; Y103-V107 HydrophobicContact CD2-CB 3.81Å; Y103-V107 HydrophobicContact CD2-CG1 3.97Å; Y103-V107 HydrophobicContact CD2-CG2 3.98Å; Y103-V107 HydrophobicContact CE2-CB 3.88Å; Y103-V107 HydrophobicContact CE2-CG1 3.49Å; Y103-V107 VanDerWaalsContact CE2-CG1 3.49Å; Y103-V107 HydrophobicContact CE2-CG2 4.34Å; Y103-V107 HydrophobicContact CG-CB 4.24Å; Y103-V107 WeakPolarHBondContact O-CA 3.35Å; Y103-V107 VanDerWaalsContact O-CB 3.3Å; Y103-V107 WeakPolarHBondContact O-CB 3.49Å; Y103-V107 PolarHBondContact O-N 3.24Å; V107-Q110 PolarHBondContact O-N 2.87Å; V107-S111 PolarHBondContact O-N 2.8Å; V107-S111 VanDerWaalsContact O-N 3.1Å; V107-L112 HydrophobicContact CG1-CB 4.2Å; V107-L112 PolarHBondContact O-N 2.98Å; V107-C117 WeakPolarHBondContact CG1-SG 3.3Å
108	Q	94	Very high	94.9	Very high	121 Å²	121	50.9 Å²	50.9	57%	0.565	26%	0.264	S	S	*	.	I	π-helix	trans	-68.6	-44.5	-172.5	-169.4	-178.9	-1.3	0	0	112.5	Y103 Q110 S111	Y103-Q108 HydrophobicContact CD1-CB 4.48Å; Y103-Q108 HydrophobicContact CE1-CB 4.15Å; Y103-Q108 PolarHBondContact O-N 3.33Å; Q108-Q110 PolarHBondContact O-N 2.96Å; Q108-S111 PolarHBondContact O-N 3.16Å; Q108-S111 VanDerWaalsContact O-N 3.15Å
109	Q	92	Very high	95.2	Very high	118 Å²	118	47.8 Å²	47.8	55%	0.551	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.1	177.8	-70	173	15.7	0	0	113	S104 C105	S104-Q109 WeakPolarHBondContact O-CG 3.5Å; S104-Q109 PolarHBondContact O-N 3.48Å; C105-Q109 WeakPolarHBondContact O-CB 3.48Å; C105-Q109 PolarHBondContact O-OE1 2.8Å
110	Q	91	Very high	95.5	Very high	73 Å²	73	47.5 Å²	47.5	34%	0.341	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.6	178.6	-57.3	-50.8	-53.6	0	0	113	M78 V107 Q108 L112	M78-Q110 HydrophobicContact CB-CG 3.9Å; M78-Q110 HydrophobicContact CG-CG 4.25Å; M78-Q110 HydrophobicContact SD-CG 4.07Å; V107-Q110 PolarHBondContact O-N 2.87Å; Q108-Q110 PolarHBondContact O-N 2.96Å; Q110-L112 HydrophobicContact CB-CD1 4.41Å; Q110-L112 HydrophobicContact CB-CG 4.03Å; Q110-L112 PolarHBondContact O-N 2.88Å
111	S	93.4	Very high	95.6	Very high	97 Å²	97	42.5 Å²	42.5	68%	0.678	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	33.9	-176.9	-54.3	0	0	0	0	113.6	V107 Q108	V107-S111 PolarHBondContact O-N 2.8Å; V107-S111 VanDerWaalsContact O-N 3.1Å; Q108-S111 PolarHBondContact O-N 3.16Å; Q108-S111 VanDerWaalsContact O-N 3.15Å
112	L	94.9	Very high	95.5	Very high	21 Å²	21	39.9 Å²	39.9	11%	0.11	21%	0.212	C	C	.	.			trans	-69.6	141.3	176.4	-70.2	175.9	0	0	0	110.6	V84 V107 Q110 Q116	V84-L112 HydrophobicContact CB-CD1 4.25Å; V84-L112 HydrophobicContact CG2-CD1 3.44Å; V84-L112 VanDerWaalsContact CG2-CD1 3.44Å; V107-L112 HydrophobicContact CG1-CB 4.2Å; V107-L112 PolarHBondContact O-N 2.98Å; Q110-L112 HydrophobicContact CB-CD1 4.41Å; Q110-L112 HydrophobicContact CB-CG 4.03Å; Q110-L112 PolarHBondContact O-N 2.88Å; L112-Q116 HydrophobicContact CB-CB 4.47Å; L112-Q116 HydrophobicContact CD2-CB 4.46Å
113	Q	95.6	Very high	95.2	Very high	122 Å²	122	40.4 Å²	40.4	57%	0.57	22%	0.215	S	C	*	.			trans	-74.9	156.4	177.1	-61	-62.5	-33.2	0	0	111.3	T115 Q116 C117	Q113-T115 PolarHBondContact O-N 2.9Å; Q113-T115 VanDerWaalsContact O-N 3.16Å; Q113-Q116 HydrophobicContact CB-CG 4.38Å; Q113-Q116 WeakPolarHBondContact O-CA 3.38Å; Q113-Q116 WeakPolarHBondContact O-CB 2.84Å; Q113-Q116 PolarHBondContact O-N 2.84Å; Q113-C117 PolarHBondContact O-SG 2.96Å; Q113-C117 VanDerWaalsContact O-SG 3.34Å
114	D	96.2	Very high	94.6	Very high	58 Å²	58	43.8 Å²	43.8	31%	0.31	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-56.4	-34.4	177.7	-67	-15	0	0	0	111.7	Q116 C117 K142 L143	D114-Q116 PolarHBondContact O-N 3.09Å; D114-C117 PolarHBondContact O-N 3.12Å; D114-C117 VanDerWaalsContact O-N 3.1Å; D114-C117 VanDerWaalsContact O-O 3.11Å; D114-K142 WeakPolarHBondContact OD2-CB 3.45Å; D114-K142 WeakPolarHBondContact OD2-CD 3.26Å; D114-L143 HydrophobicContact CB-CD2 3.97Å
115	T	95.8	Very high	93.9	Very high	85 Å²	85	45.3 Å²	45.3	52%	0.521	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-70.1	-13.9	177.1	57.1	0	0	0	0	114.2	Q113 S167	Q113-T115 PolarHBondContact O-N 2.9Å; Q113-T115 VanDerWaalsContact O-N 3.16Å; T115-S167 PolarHBondContact O-OG 2.94Å
116	Q	97.5	Very high	93.1	Very high	25 Å²	25	47.8 Å²	47.8	12%	0.117	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-94.8	0.4	174.4	-61.2	175	-85.1	0	0	112.5	H82 G83 V84 L112 Q113 D114 Y164 I168	H82-Q116 PolarHBondContact O-NE2 2.7Å; G83-Q116 CarbonylContact C-O 3.53Å; G83-Q116 WeakPolarHBondContact CA-O 3.36Å; V84-Q116 PolarHBondContact N-O 3.43Å; L112-Q116 HydrophobicContact CB-CB 4.47Å; L112-Q116 HydrophobicContact CD2-CB 4.46Å; Q113-Q116 HydrophobicContact CB-CG 4.38Å; Q113-Q116 WeakPolarHBondContact O-CA 3.38Å; Q113-Q116 WeakPolarHBondContact O-CB 2.84Å; Q113-Q116 PolarHBondContact O-N 2.84Å; D114-Q116 PolarHBondContact O-N 3.09Å; Q116-Y164 WeakPolarHBondContact O-CE2 2.98Å; Q116-Y164 PolarHBondContact O-OH 2.88Å; Q116-I168 VanDerWaalsContact CA-CD1 3.49Å; Q116-I168 HydrophobicContact CB-CD1 3.9Å; Q116-I168 HydrophobicContact CG-CD1 4.07Å
117	C	98.1	Very high	91.9	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.027	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.3	-173.2	-58.3	0	0	0	0	111.8	V84 V107 Q113 D114 L143	V84-C117 VanDerWaalsContact O-CA 3.28Å; V84-C117 WeakPolarHBondContact O-CA 3.39Å; V107-C117 WeakPolarHBondContact CG1-SG 3.3Å; Q113-C117 PolarHBondContact O-SG 2.96Å; Q113-C117 VanDerWaalsContact O-SG 3.34Å; D114-C117 PolarHBondContact O-N 3.12Å; D114-C117 VanDerWaalsContact O-N 3.1Å; D114-C117 VanDerWaalsContact O-O 3.11Å; C117-L143 HydrophobicContact CB-CD1 4.01Å; C117-L143 HydrophobicContact CB-CD2 3.71Å; C117-L143 HydrophobicContact CB-CG 4.44Å
118	M	98.2	Very high	90.1	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.8	174.9	177.2	176.6	-83	0	0	110.3	V84 V85 I86 I120 K144 V146 E160 Y164	V84-M118 PolarHBondContact O-N 3.48Å; V85-M118 CarbonylContact C-O 3.59Å; V85-M118 WeakPolarHBondContact CA-O 3.48Å; V85-M118 HydrophobicContact CG1-CB 4.43Å; V85-M118 HydrophobicContact CG2-CB 4.33Å; I86-M118 PolarHBondContact N-O 3.32Å; M118-I120 HydrophobicContact CG-CG1 4.35Å; M118-I120 HydrophobicContact SD-CG1 4.33Å; M118-K144 HydrophobicContact CE-CG 4.08Å; M118-V146 HydrophobicContact CE-CG2 3.97Å; M118-V146 HydrophobicContact CG-CG2 4.36Å; M118-V146 HydrophobicContact SD-CG2 4.03Å; M118-E160 HydrophobicContact CE-CB 4.4Å; M118-Y164 HydrophobicContact CB-CD2 4Å; M118-Y164 HydrophobicContact CB-CE2 4.09Å; M118-Y164 HydrophobicContact CB-CG 4.49Å; M118-Y164 HydrophobicContact CE-CD2 4.32Å; M118-Y164 HydrophobicContact CE-CG 4.08Å; M118-Y164 HydrophobicContact SD-CG 4.45Å
119	L	97.8	Very high	88.3	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.8	170	-57.5	179.7	0	0	0	109.2	I86 L136 L140 L143 K144 L145 V146	I86-L119 HydrophobicContact CB-CD2 3.67Å; I86-L119 HydrophobicContact CD1-CD2 3.93Å; I86-L119 HydrophobicContact CG1-CD2 4.13Å; I86-L119 HydrophobicContact CG2-CD2 4.36Å; I86-L119 WeakPolarHBondContact O-CA 3.3Å; L119-L136 HydrophobicContact CD1-CD1 3.49Å; L119-L136 VanDerWaalsContact CD1-CD1 3.49Å; L119-L136 HydrophobicContact CD1-CD2 4.48Å; L119-L140 HydrophobicContact CD1-CB 4.32Å; L119-L140 HydrophobicContact CD1-CD2 4.31Å; L119-L140 HydrophobicContact CD2-CD2 4.19Å; L119-L143 HydrophobicContact CD1-CB 4.06Å; L119-L143 HydrophobicContact CD1-CD1 4.37Å; L119-L143 HydrophobicContact CD2-CD1 3.83Å; L119-L143 HydrophobicContact CG-CB 3.9Å; L119-L143 HydrophobicContact CG-CD1 3.96Å; L119-K144 PolarHBondContact N-O 2.87Å; L119-L145 HydrophobicContact CB-CD1 3.68Å; L119-L145 WeakPolarHBondContact O-CA 3.43Å; L119-V146 PolarHBondContact O-N 3.22Å
120	I	97	Very high	86.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.1	170.6	-59.1	174.8	0	0	0	109.1	L19 V85 I86 V87 F88 M118 H122 V146 I157	L19-I120 HydrophobicContact CD1-CD1 4.43Å; L19-I120 HydrophobicContact CD1-CG2 3.77Å; V85-I120 HydrophobicContact CG1-CD1 3.43Å; V85-I120 VanDerWaalsContact CG1-CD1 3.43Å; V85-I120 HydrophobicContact CG1-CG1 3.73Å; I86-I120 PolarHBondContact O-N 3.39Å; V87-I120 WeakPolarHBondContact CA-O 3.47Å; V87-I120 HydrophobicContact CG1-CB 4.43Å; V87-I120 HydrophobicContact CG2-CB 4.3Å; V87-I120 HydrophobicContact CG2-CD1 4.37Å; F88-I120 WeakPolarHBondContact CD1-O 3.45Å; F88-I120 PolarHBondContact N-O 3.07Å; M118-I120 HydrophobicContact CG-CG1 4.35Å; M118-I120 HydrophobicContact SD-CG1 4.33Å; I120-H122 HydrophobicContact CG2-CB 4.36Å; I120-H122 PolarHBondContact O-N 3.06Å; I120-V146 CarbonylContact C-O 3.49Å; I120-V146 WeakPolarHBondContact CA-O 3.17Å; I120-I157 HydrophobicContact CD1-CD1 3.82Å; I120-I157 HydrophobicContact CG1-CD1 4.1Å; I120-I157 HydrophobicContact CG2-CD1 4.41Å
121	A	95	Very high	85.4	Confident	0 Å²	0	55 Å²	55	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	92	165.9	0	0	0	0	0	108.5	F88 A90 L145 V146 H147 S148	F88-A121 HydrophobicContact CE1-CB 4.08Å; F88-A121 HydrophobicContact CE2-CB 3.87Å; F88-A121 HydrophobicContact CZ-CB 3.46Å; F88-A121 VanDerWaalsContact CZ-CB 3.46Å; A90-A121 HydrophobicContact CB-CB 4.13Å; A121-L145 HydrophobicContact CB-CD1 4.03Å; A121-V146 PolarHBondContact N-O 3.27Å; A121-H147 WeakPolarHBondContact O-CA 3.44Å; A121-S148 PolarHBondContact O-N 3.37Å
122	H	94	Very high	83.7	Confident	12 Å²	12	51.7 Å²	51.7	6%	0.056	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.9	-178.9	-172.1	59.2	0	0	0	111.1	L19 V87 F88 N89 A90 I120 S148	L19-H122 HydrophobicContact CD1-CB 3.96Å; V87-H122 HydrophobicContact CG1-CB 4.31Å; F88-H122 PolarHBondContact O-N 2.9Å; N89-H122 VanDerWaalsContact CA-O 3.31Å; N89-H122 WeakPolarHBondContact CA-O 3.49Å; A90-H122 PolarHBondContact N-O 2.97Å; I120-H122 HydrophobicContact CG2-CB 4.36Å; I120-H122 PolarHBondContact O-N 3.06Å; H122-S148 WeakPolarHBondContact CA-O 3.44Å; H122-S148 PolarHBondContact ND1-O 3.25Å
123	H	90.1	Very high	82.2	Confident	14 Å²	14	56.3 Å²	56.3	7%	0.065	34%	0.342	C	S	.	.			trans	-111.7	135.8	-179.8	-72.4	-67.2	0	0	0	108.9	A90 D91 S127 H147 S148 N149	A90-H123 VanDerWaalsContact CB-CE1 3.41Å; A90-H123 WeakPolarHBondContact CB-CE1 3.38Å; D91-H123 IonicContact OD1-ND1 2.67Å; H123-S127 WeakPolarHBondContact CB-OG 3.39Å; H123-H147 AromaticContact NE2-ND1 3.35Å; H123-H147 PolarHBondContact NE2-ND1 3.45Å; H123-S148 PolarHBondContact N-O 3.08Å; H123-N149 HydrophobicContact CB-CB 4.19Å
124	K	83.1	Confident	81.3	Confident	97 Å²	97	51.7 Å²	51.7	42%	0.422	32%	0.32	S	S	.	.			trans	-75.4	152.4	176.6	-77.9	-176.9	177.2	175.9	0	110	G126 S127	K124-G126 PolarHBondContact O-N 2.82Å; K124-S127 WeakPolarHBondContact O-CB 3.29Å; K124-S127 PolarHBondContact O-N 2.82Å; K124-S127 PolarHBondContact O-OG 2.69Å
125	P	80.6	Confident	80.7	Confident	78 Å²	78	54.3 Å²	54.3	51%	0.506	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.5	126.2	163	-37.7	42.3	0	0	0	113.4	S127 E151	P125-S127 VanDerWaalsContact C-N 3.25Å; P125-S127 PolarHBondContact O-N 3.08Å; P125-E151 HydrophobicContact CB-CG 4.32Å; P125-E151 VanDerWaalsContact CB-OE1 3.29Å; P125-E151 WeakPolarHBondContact CB-OE1 3.13Å; P125-E151 WeakPolarHBondContact CB-OE2 3.47Å; P125-E151 HydrophobicContact CG-CG 4.09Å; P125-E151 WeakPolarHBondContact CG-OE1 3.48Å
126	G	77.4	Confident	80.3	Confident	73 Å²	73	51.5 Å²	51.5	75%	0.753	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	5.1	178.6	0	0	0	0	0	116.4	K124 G128	K124-G126 PolarHBondContact O-N 2.82Å; G126-G128 PolarHBondContact O-N 3.5Å
127	S	71.9	Confident	79.9	Confident	23 Å²	23	52.4 Å²	52.4	16%	0.161	33%	0.334	C	S	.	.			trans	-64.6	128.1	163.8	61.6	0	0	0	0	108.2	D91 H123 K124 P125	D91-S127 WeakPolarHBondContact OD2-CB 3.44Å; H123-S127 WeakPolarHBondContact CB-OG 3.39Å; K124-S127 WeakPolarHBondContact O-CB 3.29Å; K124-S127 PolarHBondContact O-N 2.82Å; K124-S127 PolarHBondContact O-OG 2.69Å; P125-S127 VanDerWaalsContact C-N 3.25Å; P125-S127 PolarHBondContact O-N 3.08Å
128	G	59.4	Low	79.5	Confident	58 Å²	58	56.8 Å²	56.8	60%	0.598	36%	0.363	S	S	*	.			trans	-55.1	151	-177.5	0	0	0	0	0	112.2	G126 D130	G126-G128 PolarHBondContact O-N 3.5Å; G128-D130 PolarHBondContact O-N 3.46Å
129	D	56.1	Low	79.2	Confident	128 Å²	128	58.8 Å²	58.8	68%	0.684	38%	0.376	S	S	*	.	S	Bend	trans	-66.8	22.2	-173.8	-140.9	1	0	0	0	114.3	K131	D129-K131 PolarHBondContact O-N 3.19Å
130	D	59.7	Low	79	Confident	137 Å²	137	58.9 Å²	58.9	73%	0.733	38%	0.376	S	S	*	.			trans	-73.2	73.5	174.1	-157.5	8.8	0	0	0	108.1	G128 G132	G128-D130 PolarHBondContact O-N 3.46Å; D130-G132 PolarHBondContact O-N 2.9Å; D130-G132 PolarHBondContact OD1-N 2.67Å
131	K	62.7	Low	78.8	Confident	118 Å²	118	63 Å²	63	51%	0.513	40%	0.399	S	S	.	.			trans	-65.3	47.1	157.6	-59.6	-177.3	-174.3	-175.6	0	108.8	D129 S133	D129-K131 PolarHBondContact O-N 3.19Å; K131-S133 PolarHBondContact O-N 2.81Å
132	G	57.7	Low	78.8	Confident	28 Å²	28	69.7 Å²	69.7	29%	0.289	43%	0.428	S	S	.	.			trans	-51.7	137.4	-180	0	0	0	0	0	108.3	D130 L134	D130-G132 PolarHBondContact O-N 2.9Å; D130-G132 PolarHBondContact OD1-N 2.67Å; G132-L134 PolarHBondContact O-N 2.95Å
133	S	63.5	Low	78.8	Confident	118 Å²	118	69.6 Å²	69.6	83%	0.825	43%	0.427	S	S	*	.			trans	-50.1	103.9	177.9	165.3	0	0	0	0	109.6	K131 S135	K131-S133 PolarHBondContact O-N 2.81Å; S133-S135 PolarHBondContact O-N 3.44Å; S133-S135 VanDerWaalsContact O-N 3.09Å
134	L	76.4	Confident	79.1	Confident	24 Å²	24	73.8 Å²	73.8	13%	0.126	45%	0.446	C	S	.	.			trans	-77.3	97.3	173.8	-174.7	69.6	0	0	0	107.5	F88 R96 G132 L136 L145	F88-L134 HydrophobicContact CE1-CD2 4.44Å; F88-L134 HydrophobicContact CE2-CD2 3.86Å; F88-L134 HydrophobicContact CZ-CD2 3.38Å; R96-L134 HydrophobicContact CG-CD1 4.21Å; G132-L134 PolarHBondContact O-N 2.95Å; L134-L136 HydrophobicContact CD2-CD2 3.63Å; L134-L136 HydrophobicContact CD2-CG 4.16Å; L134-L136 HydrophobicContact CG-CD2 3.83Å; L134-L136 HydrophobicContact CG-CG 4.16Å; L134-L136 PolarHBondContact O-N 3.01Å; L134-L136 VanDerWaalsContact O-N 3.16Å; L134-L145 HydrophobicContact CB-CD2 4.12Å; L134-L145 HydrophobicContact CD2-CD1 4.2Å; L134-L145 HydrophobicContact CD2-CD2 3.78Å; L134-L145 HydrophobicContact CG-CD2 4.45Å
135	S	82.4	Confident	79.7	Confident	113 Å²	113	71.3 Å²	71.3	79%	0.79	44%	0.437	S	S	*	.			trans	-73.7	104.7	170.9	-169.4	0	0	0	0	108.9	S133	S133-S135 PolarHBondContact O-N 3.44Å; S133-S135 VanDerWaalsContact O-N 3.09Å
136	L	88.5	Confident	80.4	Confident	26 Å²	26	67.9 Å²	67.9	14%	0.136	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-85.7	136.4	174.7	-65.3	175.7	0	0	0	110.1	M99 L119 L134 L140 N141 L145	M99-L136 HydrophobicContact CE-CD2 3.41Å; M99-L136 VanDerWaalsContact CE-CD2 3.41Å; L119-L136 HydrophobicContact CD1-CD1 3.49Å; L119-L136 VanDerWaalsContact CD1-CD1 3.49Å; L119-L136 HydrophobicContact CD1-CD2 4.48Å; L134-L136 HydrophobicContact CD2-CD2 3.63Å; L134-L136 HydrophobicContact CD2-CG 4.16Å; L134-L136 HydrophobicContact CG-CD2 3.83Å; L134-L136 HydrophobicContact CG-CG 4.16Å; L134-L136 PolarHBondContact O-N 3.01Å; L134-L136 VanDerWaalsContact O-N 3.16Å; L136-L140 HydrophobicContact CB-CB 4.17Å; L136-L140 HydrophobicContact CD1-CB 4.45Å; L136-L140 HydrophobicContact CD2-CB 4.44Å; L136-N141 HydrophobicContact CB-CB 3.95Å; L136-N141 WeakPolarHBondContact O-CB 2.92Å; L136-L145 HydrophobicContact CD1-CB 4.45Å; L136-L145 HydrophobicContact CD1-CD2 4.23Å
137	S	89.1	Confident	81.1	Confident	44 Å²	44	66.7 Å²	66.7	31%	0.308	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-70.9	148.6	168.5	47.1	0	0	0	0	110.2	E100 L140 N141	E100-S137 PolarHBondContact OE1-OG 2.84Å; S137-L140 WeakPolarHBondContact O-CB 3.33Å; S137-L140 PolarHBondContact O-N 3.38Å; S137-N141 PolarHBondContact O-N 2.86Å
138	P	89.8	Confident	82.1	Confident	97 Å²	97	65.7 Å²	65.7	63%	0.63	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	140.8	163.7	-21.6	32.5	0	0	0	110.7	N141	P138-N141 WeakPolarHBondContact CA-OD1 3.35Å
139	P	91.6	Very high	83.6	Confident	47 Å²	47	63.6 Å²	63.6	31%	0.305	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.7	-4.6	4.5	35.2	-36.1	0	0	0	115	Y103 N141 K142	Y103-P139 HydrophobicContact CD1-CG 3.87Å; Y103-P139 HydrophobicContact CE1-CB 4.23Å; Y103-P139 HydrophobicContact CE1-CG 3.22Å; Y103-P139 HydrophobicContact CE2-CG 4.3Å; Y103-P139 VanDerWaalsContact CZ-CG 3.46Å; P139-N141 PolarHBondContact O-N 3.2Å; P139-N141 VanDerWaalsContact O-N 3.15Å; P139-K142 WeakPolarHBondContact O-CB 3.4Å; P139-K142 PolarHBondContact O-N 2.8Å; P139-K142 VanDerWaalsContact O-N 3.07Å
140	L	93.3	Very high	85.3	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-58.8	-30.1	-175.1	-67.7	167.3	0	0	0	113.2	M99 E100 Y103 L119 L136 S137 K142 L143	M99-L140 HydrophobicContact CB-CD1 3.99Å; M99-L140 HydrophobicContact CE-CD1 4.16Å; E100-L140 HydrophobicContact CG-CD1 3.81Å; Y103-L140 HydrophobicContact CD2-CD2 3.78Å; Y103-L140 HydrophobicContact CG-CD2 3.9Å; L119-L140 HydrophobicContact CD1-CB 4.32Å; L119-L140 HydrophobicContact CD1-CD2 4.31Å; L119-L140 HydrophobicContact CD2-CD2 4.19Å; L136-L140 HydrophobicContact CB-CB 4.17Å; L136-L140 HydrophobicContact CD1-CB 4.45Å; L136-L140 HydrophobicContact CD2-CB 4.44Å; S137-L140 WeakPolarHBondContact O-CB 3.33Å; S137-L140 PolarHBondContact O-N 3.38Å; L140-K142 PolarHBondContact O-N 2.88Å; L140-K142 VanDerWaalsContact O-N 3.16Å; L140-L143 HydrophobicContact CD2-CD1 4.3Å; L140-L143 WeakPolarHBondContact O-CB 3.37Å; L140-L143 PolarHBondContact O-N 3.46Å; L140-L143 VanDerWaalsContact O-N 3.07Å
141	N	93.3	Very high	86.6	Confident	88 Å²	88	59 Å²	59	47%	0.471	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.1	-12.3	177.9	72.1	-20.2	0	0	0	115.3	L136 S137 P138 P139	L136-N141 HydrophobicContact CB-CB 3.95Å; L136-N141 WeakPolarHBondContact O-CB 2.92Å; S137-N141 PolarHBondContact O-N 2.86Å; P138-N141 WeakPolarHBondContact CA-OD1 3.35Å; P139-N141 PolarHBondContact O-N 3.2Å; P139-N141 VanDerWaalsContact O-N 3.15Å
142	K	93.8	Very high	87.6	Confident	139 Å²	139	58.6 Å²	58.6	60%	0.604	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-83.7	-22.8	173.6	-60.2	-178.9	-178.3	178.4	0	112.5	D114 P139 L140	D114-K142 WeakPolarHBondContact OD2-CB 3.45Å; D114-K142 WeakPolarHBondContact OD2-CD 3.26Å; P139-K142 WeakPolarHBondContact O-CB 3.4Å; P139-K142 PolarHBondContact O-N 2.8Å; P139-K142 VanDerWaalsContact O-N 3.07Å; L140-K142 PolarHBondContact O-N 2.88Å; L140-K142 VanDerWaalsContact O-N 3.16Å
143	L	95.6	Very high	88.9	Confident	10 Å²	10	60.9 Å²	60.9	5%	0.052	34%	0.337	C	S	.	.	S	Bend	trans	-76.1	147.5	-177.2	-57.1	-169.6	0	0	0	110.5	Y103 D114 C117 L119 L140 L145	Y103-L143 HydrophobicContact CD2-CD1 3.8Å; Y103-L143 HydrophobicContact CE2-CD1 3.82Å; Y103-L143 HydrophobicContact CE2-CD2 4.38Å; Y103-L143 HydrophobicContact CE2-CG 4.34Å; D114-L143 HydrophobicContact CB-CD2 3.97Å; C117-L143 HydrophobicContact CB-CD1 4.01Å; C117-L143 HydrophobicContact CB-CD2 3.71Å; C117-L143 HydrophobicContact CB-CG 4.44Å; L119-L143 HydrophobicContact CD1-CB 4.06Å; L119-L143 HydrophobicContact CD1-CD1 4.37Å; L119-L143 HydrophobicContact CD2-CD1 3.83Å; L119-L143 HydrophobicContact CG-CB 3.9Å; L119-L143 HydrophobicContact CG-CD1 3.96Å; L140-L143 HydrophobicContact CD2-CD1 4.3Å; L140-L143 WeakPolarHBondContact O-CB 3.37Å; L140-L143 PolarHBondContact O-N 3.46Å; L140-L143 VanDerWaalsContact O-N 3.07Å; L143-L145 PolarHBondContact O-N 2.83Å; L143-L145 VanDerWaalsContact O-N 3.11Å
144	K	95.8	Very high	90.2	Very high	103 Å²	103	56.9 Å²	56.9	45%	0.448	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	115.2	171.2	176.1	68	-168.3	-151.6	0	108.9	M118 L119 V146 E160	M118-K144 HydrophobicContact CE-CG 4.08Å; L119-K144 PolarHBondContact N-O 2.87Å; K144-V146 HydrophobicContact CG-CG2 4.06Å; K144-E160 WeakPolarHBondContact CE-OE2 3.33Å; K144-E160 IonicContact NZ-OE2 3.95Å; K144-E160 PolarHBondContact NZ-OE2 3.04Å
145	L	95.4	Very high	91	Very high	45 Å²	45	60.4 Å²	60.4	24%	0.236	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.3	169.5	179.9	65.9	0	0	0	110	F88 L119 A121 L134 L136 L143	F88-L145 HydrophobicContact CE1-CD1 4.12Å; F88-L145 HydrophobicContact CZ-CD1 4.08Å; L119-L145 HydrophobicContact CB-CD1 3.68Å; L119-L145 WeakPolarHBondContact O-CA 3.43Å; A121-L145 HydrophobicContact CB-CD1 4.03Å; L134-L145 HydrophobicContact CB-CD2 4.12Å; L134-L145 HydrophobicContact CD2-CD1 4.2Å; L134-L145 HydrophobicContact CD2-CD2 3.78Å; L134-L145 HydrophobicContact CG-CD2 4.45Å; L136-L145 HydrophobicContact CD1-CB 4.45Å; L136-L145 HydrophobicContact CD1-CD2 4.23Å; L143-L145 PolarHBondContact O-N 2.83Å; L143-L145 VanDerWaalsContact O-N 3.11Å
146	V	94.6	Very high	91.5	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.03	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.7	173.4	-172.3	0	0	0	0	108.3	M118 L119 I120 A121 K144 I157 E160	M118-V146 HydrophobicContact CE-CG2 3.97Å; M118-V146 HydrophobicContact CG-CG2 4.36Å; M118-V146 HydrophobicContact SD-CG2 4.03Å; L119-V146 PolarHBondContact O-N 3.22Å; I120-V146 CarbonylContact C-O 3.49Å; I120-V146 WeakPolarHBondContact CA-O 3.17Å; A121-V146 PolarHBondContact N-O 3.27Å; K144-V146 HydrophobicContact CG-CG2 4.06Å; V146-I157 HydrophobicContact CB-CD1 4.15Å; V146-I157 HydrophobicContact CG1-CD1 3.6Å; V146-E160 HydrophobicContact CG1-CB 4.14Å; V146-E160 HydrophobicContact CG1-CG 4.14Å; V146-E160 HydrophobicContact CG2-CB 3.82Å; V146-E160 HydrophobicContact CG2-CG 4.07Å
147	H	93.1	Very high	91.9	Very high	49 Å²	49	57.3 Å²	57.3	23%	0.227	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.6	168.6	-71.9	-92.6	0	0	0	108.7	A121 H123	A121-H147 WeakPolarHBondContact O-CA 3.44Å; H123-H147 AromaticContact NE2-ND1 3.35Å; H123-H147 PolarHBondContact NE2-ND1 3.45Å
148	S	92.7	Very high	92.2	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	121	-179	174.3	0	0	0	0	110.7	L19 A121 H122 H123	L19-S148 WeakPolarHBondContact CD2-OG 3.42Å; A121-S148 PolarHBondContact O-N 3.37Å; H122-S148 WeakPolarHBondContact CA-O 3.44Å; H122-S148 PolarHBondContact ND1-O 3.25Å; H123-S148 PolarHBondContact N-O 3.08Å
149	N	91.4	Very high	92.6	Very high	15 Å²	15	58.9 Å²	58.9	8%	0.08	29%	0.289	C	S	.	.			trans	-124.6	120.1	160.2	-174.8	-21.9	0	0	0	107.1	H123 E151 D152 D153	H123-N149 HydrophobicContact CB-CB 4.19Å; N149-E151 VanDerWaalsContact C-N 3.28Å; N149-E151 PolarHBondContact O-N 3Å; N149-E151 PolarHBondContact OD1-N 3.26Å; N149-D152 HydrophobicContact CB-CB 4.21Å; N149-D152 PolarHBondContact ND2-OD2 2.92Å; N149-D153 CarbonylContact O-C 3.56Å; N149-D153 PolarHBondContact O-N 3.14Å
150	L	90.3	Very high	92.9	Very high	38 Å²	38	57.8 Å²	57.8	20%	0.199	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.4	-176.3	-62.4	-177.1	0	0	0	113.7	V18 L19 F22 I157	V18-L150 HydrophobicContact CG1-CD1 3.62Å; L19-L150 HydrophobicContact CD2-CD1 4.4Å; L19-L150 HydrophobicContact CD2-CD2 4.05Å; L19-L150 HydrophobicContact CD2-CG 4.41Å; F22-L150 HydrophobicContact CB-CD1 3.97Å; F22-L150 HydrophobicContact CD1-CD2 3.58Å; F22-L150 HydrophobicContact CD2-CD1 4.27Å; F22-L150 HydrophobicContact CD2-CD2 4.05Å; F22-L150 HydrophobicContact CE1-CD2 3.67Å; F22-L150 HydrophobicContact CE2-CD2 4.1Å; F22-L150 HydrophobicContact CG-CD1 4Å; F22-L150 HydrophobicContact CG-CD2 3.78Å; F22-L150 HydrophobicContact CZ-CD2 3.94Å; L150-I157 HydrophobicContact CD2-CG2 3.97Å
151	E	87.3	Confident	93.1	Very high	130 Å²	130	57.9 Å²	57.9	61%	0.607	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-37.9	174.6	-66.2	-171.5	165.6	0	0	112.5	P125 N149	P125-E151 HydrophobicContact CB-CG 4.32Å; P125-E151 VanDerWaalsContact CB-OE1 3.29Å; P125-E151 WeakPolarHBondContact CB-OE1 3.13Å; P125-E151 WeakPolarHBondContact CB-OE2 3.47Å; P125-E151 HydrophobicContact CG-CG 4.09Å; P125-E151 WeakPolarHBondContact CG-OE1 3.48Å; N149-E151 VanDerWaalsContact C-N 3.28Å; N149-E151 PolarHBondContact O-N 3Å; N149-E151 PolarHBondContact OD1-N 3.26Å
152	D	85.1	Confident	93.3	Very high	110 Å²	110	55.2 Å²	55.2	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-52.2	-173.3	-62.1	-31.2	0	0	0	113.1	N149	N149-D152 HydrophobicContact CB-CB 4.21Å; N149-D152 PolarHBondContact ND2-OD2 2.92Å
153	D	84.6	Confident	93.4	Very high	76 Å²	76	54.2 Å²	54.2	41%	0.406	26%	0.261	S	S	.	.			trans	-142.1	70.4	-178.2	-163.3	-11.6	0	0	0	111.9	N149 E155 E156	N149-D153 CarbonylContact O-C 3.56Å; N149-D153 PolarHBondContact O-N 3.14Å; D153-E155 PolarHBondContact O-N 3.31Å; D153-E156 HydrophobicContact CB-CB 4.43Å; D153-E156 PolarHBondContact OD1-N 3.41Å
154	P	90.9	Very high	93.5	Very high	34 Å²	34	54.2 Å²	54.2	22%	0.221	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-26.1	178.8	21.5	-31.3	0	0	0	113.7	F22 I157	F22-P154 HydrophobicContact CE1-CB 4.48Å; F22-P154 HydrophobicContact CE2-CB 3.71Å; F22-P154 HydrophobicContact CZ-CB 3.43Å; F22-P154 VanDerWaalsContact CZ-CB 3.43Å; F22-P154 VanDerWaalsContact CZ-O 3.31Å; F22-P154 WeakPolarHBondContact CZ-O 3.21Å; P154-I157 WeakPolarHBondContact O-CG2 3.36Å
155	E	93.3	Very high	93.6	Very high	97 Å²	97	49.3 Å²	49.3	45%	0.453	24%	0.239	S	C	.	.	H	α-helix	trans	-77	-32.5	-176.4	-69.5	-54.6	125	0	0	112.7	D153 I157 R158 M159	D153-E155 PolarHBondContact O-N 3.31Å; E155-I157 VanDerWaalsContact C-N 3.33Å; E155-I157 PolarHBondContact O-N 3.45Å; E155-R158 PolarHBondContact O-N 2.85Å; E155-R158 IonicContact OE1-CZ 2.85Å; E155-R158 IonicContact OE1-NH1 2.77Å; E155-R158 PolarHBondContact OE1-NH1 3.35Å; E155-M159 WeakPolarHBondContact O-CG 3.38Å; E155-M159 PolarHBondContact O-N 2.92Å
156	E	93.3	Very high	93.6	Very high	74 Å²	74	51.6 Å²	51.6	35%	0.346	25%	0.247	S	C	.	.	H	α-helix	trans	-55.6	-48.4	176.5	-175.5	175.9	-164.6	0	0	111.4	D153 R158 M159 E160	D153-E156 HydrophobicContact CB-CB 4.43Å; D153-E156 PolarHBondContact OD1-N 3.41Å; E156-R158 PolarHBondContact O-N 3.36Å; E156-M159 PolarHBondContact O-N 3.36Å; E156-E160 WeakPolarHBondContact O-CG 3.3Å; E156-E160 PolarHBondContact O-N 2.9Å
157	I	95.4	Very high	93.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-68.2	-34.9	-180	-174.8	59.5	0	0	0	112.2	L19 F22 L23 I120 V146 L150 P154 E155 F161	L19-I157 HydrophobicContact CD2-CG1 4.4Å; F22-I157 HydrophobicContact CD1-CG2 4.5Å; F22-I157 HydrophobicContact CE1-CG2 3.81Å; L23-I157 HydrophobicContact CD2-CG1 4.36Å; I120-I157 HydrophobicContact CD1-CD1 3.82Å; I120-I157 HydrophobicContact CG1-CD1 4.1Å; I120-I157 HydrophobicContact CG2-CD1 4.41Å; V146-I157 HydrophobicContact CB-CD1 4.15Å; V146-I157 HydrophobicContact CG1-CD1 3.6Å; L150-I157 HydrophobicContact CD2-CG2 3.97Å; P154-I157 WeakPolarHBondContact O-CG2 3.36Å; E155-I157 VanDerWaalsContact C-N 3.33Å; E155-I157 PolarHBondContact O-N 3.45Å; I157-F161 VanDerWaalsContact O-CB 3.23Å; I157-F161 WeakPolarHBondContact O-CB 3.5Å; I157-F161 PolarHBondContact O-N 3.38Å
158	R	96.4	Very high	93.8	Very high	71 Å²	71	50.8 Å²	50.8	27%	0.268	25%	0.247	S	C	.	.	H	α-helix	trans	-60.8	-48.1	173.3	-73	-171.3	169.2	117	1.1	111.1	F22 L23 E155 E156 F161 I162	F22-R158 HydrophobicContact CE1-CG 3.54Å; F22-R158 HydrophobicContact CZ-CG 3.84Å; F22-R158 VanDerWaalsContact CZ-NH1 3.29Å; F22-R158 VanDerWaalsContact CZ-NH2 3.31Å; L23-R158 HydrophobicContact CD2-CG 4.35Å; E155-R158 PolarHBondContact O-N 2.85Å; E155-R158 IonicContact OE1-CZ 2.85Å; E155-R158 IonicContact OE1-NH1 2.77Å; E155-R158 PolarHBondContact OE1-NH1 3.35Å; E156-R158 PolarHBondContact O-N 3.36Å; R158-F161 PolarHBondContact O-N 3Å; R158-I162 VanDerWaalsContact O-CG1 3.3Å; R158-I162 WeakPolarHBondContact O-CG1 3.37Å; R158-I162 PolarHBondContact O-N 2.85Å
159	M	96.8	Very high	93.9	Very high	102 Å²	102	50.7 Å²	50.7	50%	0.502	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-46	-179.5	-72.7	-170.8	-71	0	0	112.1	E155 E156 I162 K163	E155-M159 WeakPolarHBondContact O-CG 3.38Å; E155-M159 PolarHBondContact O-N 2.92Å; E156-M159 PolarHBondContact O-N 3.36Å; M159-I162 PolarHBondContact O-N 2.82Å; M159-K163 WeakPolarHBondContact O-CG 3.42Å; M159-K163 PolarHBondContact O-N 2.98Å
160	E	97.8	Very high	94	Very high	25 Å²	25	52.8 Å²	52.8	12%	0.117	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-38.7	178.2	-69	-60.6	125.6	0	0	111.7	M118 K144 V146 E156 K163 Y164	M118-E160 HydrophobicContact CE-CB 4.4Å; K144-E160 WeakPolarHBondContact CE-OE2 3.33Å; K144-E160 IonicContact NZ-OE2 3.95Å; K144-E160 PolarHBondContact NZ-OE2 3.04Å; V146-E160 HydrophobicContact CG1-CB 4.14Å; V146-E160 HydrophobicContact CG1-CG 4.14Å; V146-E160 HydrophobicContact CG2-CB 3.82Å; V146-E160 HydrophobicContact CG2-CG 4.07Å; E156-E160 WeakPolarHBondContact O-CG 3.3Å; E156-E160 PolarHBondContact O-N 2.9Å; E160-K163 WeakPolarHBondContact O-CB 3.23Å; E160-K163 PolarHBondContact O-N 2.92Å; E160-K163 IonicContact OE1-NZ 3.43Å; E160-K163 PolarHBondContact OE1-NZ 3.39Å; E160-Y164 PolarHBondContact O-N 3.19Å
161	F	98	Very high	94.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-42.8	174.7	-170.6	-119	0	0	0	111.7	F8 L23 F43 L61 V85 I157 R158 K163 Y164 L165	F8-F161 AromaticContact CE1-CE2 3.92Å; F8-F161 HydrophobicContact CE1-CE2 3.92Å; F8-F161 HydrophobicContact CE1-CZ 4.29Å; F8-F161 HydrophobicContact CZ-CE2 4.07Å; F8-F161 HydrophobicContact CZ-CZ 4.43Å; L23-F161 HydrophobicContact CB-CD1 3.99Å; L23-F161 HydrophobicContact CB-CE1 4.01Å; L23-F161 HydrophobicContact CD1-CB 4.33Å; L23-F161 HydrophobicContact CD1-CD1 3.95Å; L23-F161 HydrophobicContact CD1-CD2 4.05Å; L23-F161 HydrophobicContact CD1-CE1 4.22Å; L23-F161 HydrophobicContact CD1-CE2 4.33Å; L23-F161 HydrophobicContact CD1-CG 3.85Å; L23-F161 HydrophobicContact CD1-CZ 4.41Å; L23-F161 HydrophobicContact CD2-CB 3.84Å; L23-F161 HydrophobicContact CD2-CD1 3.86Å; L23-F161 HydrophobicContact CD2-CG 4Å; L23-F161 HydrophobicContact CG-CD1 4.15Å; L23-F161 HydrophobicContact CG-CG 4.4Å; F43-F161 HydrophobicContact CE2-CE1 4.41Å; F43-F161 AromaticContact CZ-CE1 3.97Å; F43-F161 HydrophobicContact CZ-CE1 3.97Å; F43-F161 HydrophobicContact CZ-CZ 4.31Å; L61-F161 HydrophobicContact CD1-CZ 4.33Å; V85-F161 HydrophobicContact CG2-CE2 4.39Å; I157-F161 VanDerWaalsContact O-CB 3.23Å; I157-F161 WeakPolarHBondContact O-CB 3.5Å; I157-F161 PolarHBondContact O-N 3.38Å; R158-F161 PolarHBondContact O-N 3Å; F161-K163 VanDerWaalsContact C-N 3.33Å; F161-K163 PolarHBondContact O-N 3.31Å; F161-Y164 AromaticContact CD2-CD1 3.99Å; F161-Y164 HydrophobicContact CD2-CD1 3.99Å; F161-Y164 AromaticContact CE2-CD1 3.93Å; F161-Y164 HydrophobicContact CE2-CD1 3.93Å; F161-Y164 HydrophobicContact CE2-CE1 4.25Å; F161-Y164 WeakPolarHBondContact O-CA 3.38Å; F161-Y164 VanDerWaalsContact O-CB 3.3Å; F161-Y164 WeakPolarHBondContact O-CB 3.44Å; F161-Y164 PolarHBondContact O-N 3.04Å; F161-Y164 VanDerWaalsContact O-N 3.12Å; F161-L165 HydrophobicContact CD1-CD1 4.12Å; F161-L165 HydrophobicContact CD1-CG 4.29Å; F161-L165 HydrophobicContact CE1-CD1 3.9Å; F161-L165 HydrophobicContact CE1-CD2 4.07Å; F161-L165 HydrophobicContact CE1-CG 4.12Å; F161-L165 HydrophobicContact CE2-CD2 4.21Å; F161-L165 HydrophobicContact CZ-CD1 4.49Å; F161-L165 HydrophobicContact CZ-CD2 3.82Å; F161-L165 HydrophobicContact CZ-CG 4.31Å; F161-L165 WeakPolarHBondContact O-CG 3.21Å; F161-L165 PolarHBondContact O-N 2.95Å
162	I	97.1	Very high	94.3	Very high	32 Å²	32	47.4 Å²	47.4	16%	0.164	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-41.1	174.7	-71.3	165.6	0	0	0	111.6	H47 V48 R158 M159 Y164 L165 K166	H47-I162 HydrophobicContact CB-CD1 4.38Å; H47-I162 HydrophobicContact CB-CG2 4.12Å; V48-I162 HydrophobicContact CG2-CG2 4.07Å; R158-I162 VanDerWaalsContact O-CG1 3.3Å; R158-I162 WeakPolarHBondContact O-CG1 3.37Å; R158-I162 PolarHBondContact O-N 2.85Å; M159-I162 PolarHBondContact O-N 2.82Å; I162-Y164 VanDerWaalsContact C-N 3.3Å; I162-Y164 PolarHBondContact O-N 3.28Å; I162-L165 PolarHBondContact O-N 3.23Å; I162-K166 HydrophobicContact CG2-CD 4.38Å; I162-K166 WeakPolarHBondContact O-CG 3.27Å; I162-K166 PolarHBondContact O-N 3.2Å
163	K	97.2	Very high	94.6	Very high	118 Å²	118	42.5 Å²	42.5	51%	0.513	21%	0.21	S	C	.	.	H	α-helix	trans	-61.8	-41.2	175	-70.3	172	-168.8	168.7	0	111.3	M159 E160 F161 K166 S167	M159-K163 WeakPolarHBondContact O-CG 3.42Å; M159-K163 PolarHBondContact O-N 2.98Å; E160-K163 WeakPolarHBondContact O-CB 3.23Å; E160-K163 PolarHBondContact O-N 2.92Å; E160-K163 IonicContact OE1-NZ 3.43Å; E160-K163 PolarHBondContact OE1-NZ 3.39Å; F161-K163 VanDerWaalsContact C-N 3.33Å; F161-K163 PolarHBondContact O-N 3.31Å; K163-K166 PolarHBondContact O-N 3.31Å; K163-S167 PolarHBondContact O-N 3.15Å; K163-S167 VanDerWaalsContact O-N 3.1Å
164	Y	98.2	Very high	94.9	Very high	10 Å²	10	43.9 Å²	43.9	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-49	174.6	169.6	-102.7	0	0	0	112.3	I6 G83 V84 V85 Q116 M118 E160 F161 I162 K166 S167 I168	I6-Y164 HydrophobicContact CD1-CE1 4.3Å; I6-Y164 HydrophobicContact CG2-CE1 3.98Å; G83-Y164 WeakPolarHBondContact CA-OH 3.28Å; V84-Y164 PolarHBondContact N-OH 3.42Å; V84-Y164 PolarHBondContact O-OH 2.99Å; V85-Y164 HydrophobicContact CG2-CD1 4.38Å; V85-Y164 HydrophobicContact CG2-CE1 3.7Å; Q116-Y164 WeakPolarHBondContact O-CE2 2.98Å; Q116-Y164 PolarHBondContact O-OH 2.88Å; M118-Y164 HydrophobicContact CB-CD2 4Å; M118-Y164 HydrophobicContact CB-CE2 4.09Å; M118-Y164 HydrophobicContact CB-CG 4.49Å; M118-Y164 HydrophobicContact CE-CD2 4.32Å; M118-Y164 HydrophobicContact CE-CG 4.08Å; M118-Y164 HydrophobicContact SD-CG 4.45Å; E160-Y164 PolarHBondContact O-N 3.19Å; F161-Y164 AromaticContact CD2-CD1 3.99Å; F161-Y164 HydrophobicContact CD2-CD1 3.99Å; F161-Y164 AromaticContact CE2-CD1 3.93Å; F161-Y164 HydrophobicContact CE2-CD1 3.93Å; F161-Y164 HydrophobicContact CE2-CE1 4.25Å; F161-Y164 WeakPolarHBondContact O-CA 3.38Å; F161-Y164 VanDerWaalsContact O-CB 3.3Å; F161-Y164 WeakPolarHBondContact O-CB 3.44Å; F161-Y164 PolarHBondContact O-N 3.04Å; F161-Y164 VanDerWaalsContact O-N 3.12Å; I162-Y164 VanDerWaalsContact C-N 3.3Å; I162-Y164 PolarHBondContact O-N 3.28Å; Y164-K166 VanDerWaalsContact C-N 3.28Å; Y164-K166 PolarHBondContact O-N 2.83Å; Y164-S167 WeakPolarHBondContact O-CA 3.19Å; Y164-S167 VanDerWaalsContact O-CB 3.25Å; Y164-S167 WeakPolarHBondContact O-CB 3.39Å; Y164-S167 PolarHBondContact O-N 3.33Å; Y164-I168 HydrophobicContact CD1-CG1 4.48Å; Y164-I168 HydrophobicContact CE1-CD1 4.48Å; Y164-I168 HydrophobicContact CE1-CG1 4.07Å; Y164-I168 HydrophobicContact CE2-CD1 3.87Å; Y164-I168 HydrophobicContact CE2-CG1 4.2Å; Y164-I168 WeakPolarHBondContact O-CG1 3.22Å; Y164-I168 PolarHBondContact O-N 2.78Å
165	L	97.3	Very high	94.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-55.9	-42.5	176	-64.2	-175.5	0	0	0	112.1	I6 F43 N45 V48 F59 F161 I162 S167 I168 I169	I6-L165 HydrophobicContact CD1-CD2 3.07Å; F43-L165 HydrophobicContact CE2-CD1 3.95Å; F43-L165 HydrophobicContact CZ-CD1 4.11Å; N45-L165 HydrophobicContact CB-CD1 4.28Å; V48-L165 HydrophobicContact CG1-CB 4.21Å; V48-L165 HydrophobicContact CG2-CB 3.8Å; V48-L165 HydrophobicContact CG2-CD1 4.13Å; F59-L165 HydrophobicContact CD1-CD2 3.78Å; F59-L165 HydrophobicContact CE1-CB 3.99Å; F59-L165 HydrophobicContact CE1-CD1 4.34Å; F59-L165 HydrophobicContact CE1-CD2 3.77Å; F59-L165 HydrophobicContact CE1-CG 4.25Å; F59-L165 HydrophobicContact CE2-CD1 4.32Å; F59-L165 HydrophobicContact CG-CD2 4.48Å; F59-L165 HydrophobicContact CZ-CB 4.06Å; F59-L165 HydrophobicContact CZ-CD1 4.24Å; F59-L165 HydrophobicContact CZ-CD2 4.46Å; F59-L165 HydrophobicContact CZ-CG 4.49Å; F161-L165 HydrophobicContact CD1-CD1 4.12Å; F161-L165 HydrophobicContact CD1-CG 4.29Å; F161-L165 HydrophobicContact CE1-CD1 3.9Å; F161-L165 HydrophobicContact CE1-CD2 4.07Å; F161-L165 HydrophobicContact CE1-CG 4.12Å; F161-L165 HydrophobicContact CE2-CD2 4.21Å; F161-L165 HydrophobicContact CZ-CD1 4.49Å; F161-L165 HydrophobicContact CZ-CD2 3.82Å; F161-L165 HydrophobicContact CZ-CG 4.31Å; F161-L165 WeakPolarHBondContact O-CG 3.21Å; F161-L165 PolarHBondContact O-N 2.95Å; I162-L165 PolarHBondContact O-N 3.23Å; L165-S167 VanDerWaalsContact C-N 3.32Å; L165-S167 PolarHBondContact O-N 3.33Å; L165-I168 PolarHBondContact O-N 3.44Å; L165-I169 WeakPolarHBondContact O-CG1 3.31Å; L165-I169 PolarHBondContact O-N 3.45Å
166	K	95.5	Very high	94.6	Very high	93 Å²	93	45.4 Å²	45.4	40%	0.404	22%	0.217	S	C	.	.	H	α-helix	trans	-59.7	-41.8	174.9	-72.5	172.4	179.9	179.9	0	112.3	H47 V48 I162 K163 Y164 I169 N170	H47-K166 WeakPolarHBondContact O-CE 3.47Å; H47-K166 PolarHBondContact O-NZ 2.93Å; V48-K166 HydrophobicContact CB-CG 4.49Å; V48-K166 HydrophobicContact CG1-CG 3.98Å; V48-K166 HydrophobicContact CG2-CG 4.2Å; I162-K166 HydrophobicContact CG2-CD 4.38Å; I162-K166 WeakPolarHBondContact O-CG 3.27Å; I162-K166 PolarHBondContact O-N 3.2Å; K163-K166 PolarHBondContact O-N 3.31Å; Y164-K166 VanDerWaalsContact C-N 3.28Å; Y164-K166 PolarHBondContact O-N 2.83Å; K166-I169 PolarHBondContact O-N 3.34Å; K166-N170 WeakPolarHBondContact O-CB 3.41Å; K166-N170 VanDerWaalsContact O-CG 3.24Å; K166-N170 PolarHBondContact O-N 3.46Å; K166-N170 PolarHBondContact O-ND2 3.44Å
167	S	95.7	Very high	94.3	Very high	37 Å²	37	45.5 Å²	45.5	26%	0.259	22%	0.22	S	C	.	.	H	α-helix	trans	-60	-45.1	175.3	-176.5	0	0	0	0	111.7	T115 K163 Y164 L165 N170 S171	T115-S167 PolarHBondContact O-OG 2.94Å; K163-S167 PolarHBondContact O-N 3.15Å; K163-S167 VanDerWaalsContact O-N 3.1Å; Y164-S167 WeakPolarHBondContact O-CA 3.19Å; Y164-S167 VanDerWaalsContact O-CB 3.25Å; Y164-S167 WeakPolarHBondContact O-CB 3.39Å; Y164-S167 PolarHBondContact O-N 3.33Å; L165-S167 VanDerWaalsContact C-N 3.32Å; L165-S167 PolarHBondContact O-N 3.33Å; S167-N170 PolarHBondContact O-N 3.29Å; S167-S171 PolarHBondContact O-N 3.43Å
168	I	96.3	Very high	94	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.6	-50.6	176.4	-58.7	-52	0	0	0	111.1	A4 H82 Q116 Y164 L165 N170 S171 M172	A4-I168 HydrophobicContact CB-CG2 4.03Å; H82-I168 HydrophobicContact CB-CG2 3.79Å; Q116-I168 VanDerWaalsContact CA-CD1 3.49Å; Q116-I168 HydrophobicContact CB-CD1 3.9Å; Q116-I168 HydrophobicContact CG-CD1 4.07Å; Y164-I168 HydrophobicContact CD1-CG1 4.48Å; Y164-I168 HydrophobicContact CE1-CD1 4.48Å; Y164-I168 HydrophobicContact CE1-CG1 4.07Å; Y164-I168 HydrophobicContact CE2-CD1 3.87Å; Y164-I168 HydrophobicContact CE2-CG1 4.2Å; Y164-I168 WeakPolarHBondContact O-CG1 3.22Å; Y164-I168 PolarHBondContact O-N 2.78Å; L165-I168 PolarHBondContact O-N 3.44Å; I168-N170 VanDerWaalsContact C-N 3.31Å; I168-N170 PolarHBondContact O-N 3.2Å; I168-S171 PolarHBondContact O-N 2.77Å; I168-M172 HydrophobicContact CG2-CG 4.37Å; I168-M172 HydrophobicContact CG2-SD 3.95Å; I168-M172 WeakPolarHBondContact O-CG 3.45Å; I168-M172 PolarHBondContact O-N 3.49Å
169	I	95.1	Very high	93.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-38.5	-178.3	-66.6	-56.3	0	0	0	111.9	L2 A4 V48 C57 F59 L165 K166 M172 S173	L2-I169 HydrophobicContact CB-CD1 4.4Å; L2-I169 HydrophobicContact CD1-CG2 3.99Å; A4-I169 HydrophobicContact CB-CD1 4.02Å; V48-I169 HydrophobicContact CG1-CB 4.47Å; V48-I169 HydrophobicContact CG1-CG1 3.88Å; C57-I169 HydrophobicContact CB-CD1 3.94Å; C57-I169 HydrophobicContact CB-CG1 4.26Å; F59-I169 HydrophobicContact CE1-CD1 3.82Å; F59-I169 HydrophobicContact CE1-CG1 3.9Å; F59-I169 HydrophobicContact CZ-CD1 3.93Å; F59-I169 HydrophobicContact CZ-CG1 3.78Å; L165-I169 WeakPolarHBondContact O-CG1 3.31Å; L165-I169 PolarHBondContact O-N 3.45Å; K166-I169 PolarHBondContact O-N 3.34Å; I169-M172 HydrophobicContact CD1-SD 4.32Å; I169-M172 PolarHBondContact O-N 2.88Å; I169-S173 WeakPolarHBondContact O-CB 3.46Å; I169-S173 PolarHBondContact O-N 3.02Å; I169-S173 PolarHBondContact O-OG 2.99Å
170	N	92.5	Very high	93.2	Very high	59 Å²	59	52.9 Å²	52.9	32%	0.316	25%	0.251	S	S	.	.	H	α-helix	trans	-62.2	-48.3	174.2	-74.2	-23.7	0	0	0	111.2	N51 K166 S167 I168 M172 S173 E174	N51-N170 PolarHBondContact ND2-OD1 3.01Å; N51-N170 VanDerWaalsContact ND2-OD1 3.08Å; K166-N170 WeakPolarHBondContact O-CB 3.41Å; K166-N170 VanDerWaalsContact O-CG 3.24Å; K166-N170 PolarHBondContact O-N 3.46Å; K166-N170 PolarHBondContact O-ND2 3.44Å; S167-N170 PolarHBondContact O-N 3.29Å; I168-N170 VanDerWaalsContact C-N 3.31Å; I168-N170 PolarHBondContact O-N 3.2Å; N170-M172 VanDerWaalsContact C-N 3.34Å; N170-M172 PolarHBondContact O-N 3.1Å; N170-S173 PolarHBondContact O-N 3.44Å; N170-E174 WeakPolarHBondContact O-CG 3.44Å; N170-E174 PolarHBondContact O-N 3.5Å
171	S	92.6	Very high	92.8	Very high	27 Å²	27	57.5 Å²	57.5	19%	0.189	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-42.4	178.2	-176.1	0	0	0	0	112.6	S167 I168 E174 S175	S167-S171 PolarHBondContact O-N 3.43Å; I168-S171 PolarHBondContact O-N 2.77Å; S171-E174 PolarHBondContact O-N 2.99Å; S171-S175 PolarHBondContact O-N 3.05Å
172	M	92.5	Very high	92.5	Very high	27 Å²	27	61 Å²	61	13%	0.133	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-43.6	175.4	-72.6	178.6	70	0	0	112.5	K3 A4 H82 I168 I169 N170 S175 R176	K3-M172 VanDerWaalsContact O-CE 3.31Å; K3-M172 WeakPolarHBondContact O-CE 3.37Å; A4-M172 HydrophobicContact CB-CE 4.35Å; A4-M172 HydrophobicContact CB-SD 3.58Å; A4-M172 VanDerWaalsContact CB-SD 3.58Å; H82-M172 HydrophobicContact CB-CG 4.47Å; H82-M172 HydrophobicContact CB-SD 4.01Å; H82-M172 VanDerWaalsContact CD2-CE 3.43Å; H82-M172 WeakPolarHBondContact CD2-CE 3.49Å; H82-M172 PolarHBondContact CD2-SD 2.9Å; H82-M172 WeakPolarHBondContact NE2-CE 3.12Å; I168-M172 HydrophobicContact CG2-CG 4.37Å; I168-M172 HydrophobicContact CG2-SD 3.95Å; I168-M172 WeakPolarHBondContact O-CG 3.45Å; I168-M172 PolarHBondContact O-N 3.49Å; I169-M172 HydrophobicContact CD1-SD 4.32Å; I169-M172 PolarHBondContact O-N 2.88Å; N170-M172 VanDerWaalsContact C-N 3.34Å; N170-M172 PolarHBondContact O-N 3.1Å; M172-S175 PolarHBondContact O-N 2.85Å; M172-R176 WeakPolarHBondContact O-CB 3.19Å; M172-R176 PolarHBondContact O-N 2.95Å
173	S	90.9	Very high	92.1	Very high	8 Å²	8	66.1 Å²	66.1	6%	0.056	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-45.7	179.1	-56	0	0	0	0	110.5	L2 I169 N170 S175 R176 D177	L2-S173 WeakPolarHBondContact CD1-OG 3.41Å; I169-S173 WeakPolarHBondContact O-CB 3.46Å; I169-S173 PolarHBondContact O-N 3.02Å; I169-S173 PolarHBondContact O-OG 2.99Å; N170-S173 PolarHBondContact O-N 3.44Å; S173-S175 PolarHBondContact O-N 3Å; S173-R176 PolarHBondContact O-N 3.36Å; S173-D177 VanDerWaalsContact O-CG 3.24Å; S173-D177 PolarHBondContact O-N 3.39Å
174	E	89.9	Confident	91.1	Very high	104 Å²	104	68.6 Å²	68.6	49%	0.486	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-38.5	176	-70.1	177.2	-166.9	0	0	113.3	N170 S171 R176 R178	N170-E174 WeakPolarHBondContact O-CG 3.44Å; N170-E174 PolarHBondContact O-N 3.5Å; S171-E174 PolarHBondContact O-N 2.99Å; E174-R176 VanDerWaalsContact C-N 3.35Å; E174-R178 WeakPolarHBondContact O-CB 3.21Å; E174-R178 WeakPolarHBondContact O-CG 3.42Å; E174-R178 PolarHBondContact O-N 3.2Å; E174-R178 PolarHBondContact O-NE 3.2Å; E174-R178 IonicContact OE2-NH1 3.43Å; E174-R178 PolarHBondContact OE2-NH1 3.32Å
175	S	89.1	Confident	89.4	Confident	44 Å²	44	76.3 Å²	76.3	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-46.4	176.4	-163	0	0	0	0	110.8	S171 M172 S173 R178 E179	S171-S175 PolarHBondContact O-N 3.05Å; M172-S175 PolarHBondContact O-N 2.85Å; S173-S175 PolarHBondContact O-N 3Å; S175-R178 PolarHBondContact O-N 3.47Å; S175-E179 WeakPolarHBondContact O-CG 3.29Å; S175-E179 PolarHBondContact O-N 3.25Å; S175-E179 PolarHBondContact OG-OE1 2.8Å
176	R	88.3	Confident	89	Confident	120 Å²	120	80.2 Å²	80.2	45%	0.453	41%	0.408	S	S	.	.	H	α-helix	trans	-61	-46.7	177.7	-178.8	-179.9	170.8	173.2	-0.6	111.9	M172 S173 E174 R178 E179 E180	M172-R176 WeakPolarHBondContact O-CB 3.19Å; M172-R176 PolarHBondContact O-N 2.95Å; S173-R176 PolarHBondContact O-N 3.36Å; E174-R176 VanDerWaalsContact C-N 3.35Å; R176-R178 VanDerWaalsContact C-N 3.29Å; R176-R178 PolarHBondContact O-N 3.46Å; R176-E179 PolarHBondContact O-N 2.99Å; R176-E180 HydrophobicContact CG-CG 4.45Å; R176-E180 IonicContact CZ-OE1 3.44Å; R176-E180 IonicContact NE-OE1 2.82Å; R176-E180 PolarHBondContact NE-OE1 3.27Å; R176-E180 IonicContact NH2-OE1 3.14Å; R176-E180 PolarHBondContact NH2-OE1 2.76Å; R176-E180 VanDerWaalsContact NH2-OE1 3.14Å; R176-E180 WeakPolarHBondContact O-CG 3.31Å; R176-E180 PolarHBondContact O-N 2.81Å
177	D	88	Confident	88.6	Confident	75 Å²	75	79.5 Å²	79.5	40%	0.401	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-38.7	178.8	-67.2	-14	0	0	0	111.4	S173 M181	S173-D177 VanDerWaalsContact O-CG 3.24Å; S173-D177 PolarHBondContact O-N 3.39Å; D177-M181 WeakPolarHBondContact O-CE 3.37Å; D177-M181 WeakPolarHBondContact O-CG 3.12Å; D177-M181 PolarHBondContact O-N 2.98Å
178	R	89.1	Confident	88.2	Confident	132 Å²	132	81.8 Å²	81.8	50%	0.498	42%	0.417	S	S	.	.	H	α-helix	trans	-64.2	-43.8	174.3	-76.6	-174	-68	-103.1	0.2	112.3	E174 S175 R176 M181 S182	E174-R178 WeakPolarHBondContact O-CB 3.21Å; E174-R178 WeakPolarHBondContact O-CG 3.42Å; E174-R178 PolarHBondContact O-N 3.2Å; E174-R178 PolarHBondContact O-NE 3.2Å; E174-R178 IonicContact OE2-NH1 3.43Å; E174-R178 PolarHBondContact OE2-NH1 3.32Å; S175-R178 PolarHBondContact O-N 3.47Å; R176-R178 VanDerWaalsContact C-N 3.29Å; R176-R178 PolarHBondContact O-N 3.46Å; R178-M181 PolarHBondContact O-N 2.75Å; R178-S182 PolarHBondContact O-N 2.74Å; R178-S182 VanDerWaalsContact O-N 3.08Å
179	E	89	Confident	87.8	Confident	112 Å²	112	86.6 Å²	86.6	52%	0.523	44%	0.441	S	S	.	.	H	α-helix	trans	-63.2	-45.5	176.5	-73.4	166	-149.7	0	0	111.3	S175 R176 M181 S182 I183	S175-E179 WeakPolarHBondContact O-CG 3.29Å; S175-E179 PolarHBondContact O-N 3.25Å; S175-E179 PolarHBondContact OG-OE1 2.8Å; R176-E179 PolarHBondContact O-N 2.99Å; E179-M181 PolarHBondContact O-N 3.44Å; E179-S182 PolarHBondContact O-N 3.23Å; E179-S182 VanDerWaalsContact O-N 3.15Å; E179-S182 PolarHBondContact O-OG 2.93Å; E179-I183 WeakPolarHBondContact O-CG1 3.35Å; E179-I183 PolarHBondContact O-N 3.44Å
180	E	88.2	Confident	87.3	Confident	86 Å²	86	92.1 Å²	92.1	40%	0.402	47%	0.469	S	S	.	.	H	α-helix	trans	-60.8	-42.5	177.3	-72.4	-178	-171.5	0	0	111.8	R176 S182 I183	R176-E180 HydrophobicContact CG-CG 4.45Å; R176-E180 IonicContact CZ-OE1 3.44Å; R176-E180 IonicContact NE-OE1 2.82Å; R176-E180 PolarHBondContact NE-OE1 3.27Å; R176-E180 IonicContact NH2-OE1 3.14Å; R176-E180 PolarHBondContact NH2-OE1 2.76Å; R176-E180 VanDerWaalsContact NH2-OE1 3.14Å; R176-E180 WeakPolarHBondContact O-CG 3.31Å; R176-E180 PolarHBondContact O-N 2.81Å; E180-S182 VanDerWaalsContact C-N 3.34Å; E180-S182 PolarHBondContact O-N 3.41Å; E180-I183 PolarHBondContact O-N 3.26Å
181	M	88.6	Confident	87	Confident	121 Å²	121	94.3 Å²	94.3	60%	0.596	48%	0.479	S	S	*	.	H	α-helix	trans	-63.8	-36.7	174.7	-78.7	-172.8	-73.7	0	0	113	D177 R178 E179 I183 M184	D177-M181 WeakPolarHBondContact O-CE 3.37Å; D177-M181 WeakPolarHBondContact O-CG 3.12Å; D177-M181 PolarHBondContact O-N 2.98Å; R178-M181 PolarHBondContact O-N 2.75Å; E179-M181 PolarHBondContact O-N 3.44Å; M181-I183 PolarHBondContact O-N 2.67Å; M181-M184 PolarHBondContact O-N 3.26Å
182	S	91.1	Very high	86.6	Confident	76 Å²	76	99.1 Å²	99.1	53%	0.531	50%	0.5	S	S	.	.	H	α-helix	trans	-67.5	-23.9	-178.9	75.9	0	0	0	0	113.9	R178 E179 E180 T185	R178-S182 PolarHBondContact O-N 2.74Å; R178-S182 VanDerWaalsContact O-N 3.08Å; E179-S182 PolarHBondContact O-N 3.23Å; E179-S182 VanDerWaalsContact O-N 3.15Å; E179-S182 PolarHBondContact O-OG 2.93Å; E180-S182 VanDerWaalsContact C-N 3.34Å; E180-S182 PolarHBondContact O-N 3.41Å; S182-T185 PolarHBondContact O-OG1 2.7Å
183	I	88.7	Confident	86.1	Confident	139 Å²	139	104.6 Å²	104.6	71%	0.713	53%	0.528	S	S	*	.	H	α-helix	trans	-80.9	-23.9	177.7	-63.3	164.8	0	0	0	111.1	E179 E180 M181	E179-I183 WeakPolarHBondContact O-CG1 3.35Å; E179-I183 PolarHBondContact O-N 3.44Å; E180-I183 PolarHBondContact O-N 3.26Å; M181-I183 PolarHBondContact O-N 2.67Å
184	M	76.5	Confident	85.7	Confident	170 Å²	170	112.7 Å²	112.7	84%	0.837	57%	0.568	S	S	*	*			trans	-85.9	-9.4	-176.7	-68.9	-172.8	165.6	0	0	114.3	M181	M181-M184 PolarHBondContact O-N 3.26Å
185	T	61.9	Low	85.3	Confident	173 Å²	173	113.5 Å²	113.5	100%	1.061	58%	0.575	S	S	*	*			trans	-110.8	0	-179.4	54.3	0	0	0	0	112	S182	S182-T185 PolarHBondContact O-OG1 2.7Å

Retrieved 185 of 185 residues in 1141.2 ms (Link to these results)

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